NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490020 | 2kp5 | 15743 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 2.169 -1.016 -1.596 3 HA3 GLY 1 3HA GLY 1 1.520 0.571 -1.980 4 H GLU 2 H GLU 2 3.021 2.021 -2.441 5 HA GLU 2 HA GLU 2 5.576 1.908 -0.981 6 HB2 GLU 2 2HB GLU 2 6.601 2.818 -3.139 7 HB3 GLU 2 3HB GLU 2 6.157 1.118 -3.117 8 HG2 GLU 2 2HG GLU 2 3.960 2.724 -4.043 9 HG3 GLU 2 3HG GLU 2 5.413 3.044 -4.988 10 H LYS 3 H LYS 3 4.906 3.523 0.445 11 HA LYS 3 HA LYS 3 4.380 6.163 -0.743 12 HB2 LYS 3 2HB LYS 3 3.837 5.166 2.060 13 HB3 LYS 3 3HB LYS 3 3.475 6.782 1.468 14 HG2 LYS 3 2HG LYS 3 1.691 6.080 0.224 15 HG3 LYS 3 3HG LYS 3 2.339 4.452 0.012 16 HD2 LYS 3 2HD LYS 3 1.968 4.229 2.562 17 HD3 LYS 3 3HD LYS 3 0.909 5.628 2.370 18 HE2 LYS 3 2HE LYS 3 -0.040 4.138 0.382 19 HE3 LYS 3 3HE LYS 3 0.586 2.841 1.398 20 HZ1 LYS 3 3HZ LYS 3 -0.713 4.291 3.204 21 HZ2 LYS 3 1HZ LYS 3 -1.432 3.024 2.343 22 HZ3 LYS 3 2HZ LYS 3 -1.663 4.623 1.844 23 H THR 4 H THR 4 7.016 4.804 -0.347 24 HA THR 4 HA THR 4 8.385 7.082 0.780 25 HB THR 4 HB THR 4 9.817 5.444 2.223 26 HG1 THR 4 HG1 THR 4 7.366 4.040 1.891 27 HG21 THR 4 3HG2 THR 4 8.762 6.268 4.073 28 HG22 THR 4 1HG2 THR 4 7.152 5.894 3.458 29 HG23 THR 4 2HG2 THR 4 8.021 7.305 2.855 30 H VAL 5 H VAL 5 10.663 7.078 0.338 31 HA VAL 5 HA VAL 5 11.330 5.396 -1.972 32 HB VAL 5 HB VAL 5 13.188 7.053 -2.322 33 HG11 VAL 5 1HG1 VAL 5 10.581 7.147 -3.089 34 HG12 VAL 5 2HG1 VAL 5 10.788 8.738 -2.354 35 HG13 VAL 5 3HG1 VAL 5 11.841 8.232 -3.677 36 HG21 VAL 5 3HG2 VAL 5 12.449 7.878 0.257 37 HG22 VAL 5 1HG2 VAL 5 13.657 8.605 -0.803 38 HG23 VAL 5 2HG2 VAL 5 11.994 9.193 -0.827 39 H LYS 6 H LYS 6 12.902 3.915 -1.897 40 HA LYS 6 HA LYS 6 14.292 3.506 0.628 41 HB2 LYS 6 2HB LYS 6 13.520 1.841 -1.661 42 HB3 LYS 6 3HB LYS 6 15.130 1.493 -1.044 43 HG2 LYS 6 2HG LYS 6 13.977 0.096 0.296 44 HG3 LYS 6 3HG LYS 6 13.796 1.557 1.270 45 HD2 LYS 6 2HD LYS 6 11.605 1.929 0.494 46 HD3 LYS 6 3HD LYS 6 11.800 0.795 -0.845 47 HE2 LYS 6 2HE LYS 6 11.902 -0.041 2.045 48 HE3 LYS 6 3HE LYS 6 10.409 -0.010 1.108 49 HZ1 LYS 6 3HZ LYS 6 12.780 -1.728 0.735 50 HZ2 LYS 6 1HZ LYS 6 11.689 -1.466 -0.532 51 HZ3 LYS 6 2HZ LYS 6 11.159 -2.181 0.907 52 H LEU 7 H LEU 7 16.568 3.210 0.765 53 HA LEU 7 HA LEU 7 18.095 4.402 -1.452 54 HB2 LEU 7 2HB LEU 7 18.912 4.795 1.395 55 HB3 LEU 7 3HB LEU 7 19.335 5.744 -0.028 56 HG LEU 7 HG LEU 7 16.591 5.719 1.221 57 HD11 LEU 7 1HD1 LEU 7 18.562 6.629 2.629 58 HD12 LEU 7 2HD1 LEU 7 17.112 7.615 2.441 59 HD13 LEU 7 3HD1 LEU 7 18.548 7.966 1.478 60 HD21 LEU 7 3HD2 LEU 7 17.865 7.110 -1.073 61 HD22 LEU 7 1HD2 LEU 7 16.706 8.011 -0.096 62 HD23 LEU 7 2HD2 LEU 7 16.217 6.510 -0.883 63 H TYR 8 H TYR 8 19.714 3.181 -2.159 64 HA TYR 8 HA TYR 8 20.648 0.979 -0.440 65 HB2 TYR 8 2HB TYR 8 19.974 1.145 -3.297 66 HB3 TYR 8 3HB TYR 8 21.486 0.310 -2.959 67 HD1 TYR 8 HD1 TYR 8 21.103 -1.235 -0.639 68 HD2 TYR 8 HD2 TYR 8 18.246 -0.329 -3.659 69 HE1 TYR 8 HE1 TYR 8 19.852 -3.270 -0.057 70 HE2 TYR 8 HE2 TYR 8 16.986 -2.362 -3.084 71 HH TYR 8 HH TYR 8 16.777 -4.049 -1.631 72 H GLU 9 H GLU 9 22.858 0.521 -0.324 73 HA GLU 9 HA GLU 9 24.569 2.822 -0.868 74 HB2 GLU 9 2HB GLU 9 26.128 1.853 0.673 75 HB3 GLU 9 3HB GLU 9 24.528 1.761 1.395 76 HG2 GLU 9 2HG GLU 9 24.641 -0.633 0.163 77 HG3 GLU 9 3HG GLU 9 26.345 -0.382 0.536 78 H ASP 10 H ASP 10 24.181 -0.550 -1.739 79 HA ASP 10 HA ASP 10 26.574 -0.448 -3.421 80 HB2 ASP 10 2HB ASP 10 25.011 -2.581 -2.135 81 HB3 ASP 10 3HB ASP 10 25.533 -2.955 -3.775 82 H THR 11 H THR 11 26.515 -0.404 -5.597 83 HA THR 11 HA THR 11 24.336 0.561 -6.986 84 HB THR 11 HB THR 11 25.493 0.045 -9.027 85 HG1 THR 11 HG1 THR 11 27.388 -1.355 -8.901 86 HG21 THR 11 3HG2 THR 11 26.523 1.620 -7.147 87 HG22 THR 11 1HG2 THR 11 27.348 1.331 -8.678 88 HG23 THR 11 2HG2 THR 11 27.829 0.439 -7.234 89 H HIS 12 H HIS 12 23.122 -0.486 -8.766 90 HA HIS 12 HA HIS 12 21.637 -2.030 -9.531 91 HB2 HIS 12 2HB HIS 12 24.044 -3.421 -9.147 92 HB3 HIS 12 3HB HIS 12 22.796 -4.445 -8.444 93 HD1 HIS 12 HD1 HIS 12 24.284 -3.489 -11.627 94 HD2 HIS 12 HD2 HIS 12 20.673 -5.097 -10.347 95 HE1 HIS 12 HE1 HIS 12 23.219 -4.471 -13.682 96 H PHE 13 H PHE 13 21.506 -0.936 -6.757 97 HA PHE 13 HA PHE 13 20.224 -1.135 -4.889 98 HB2 PHE 13 2HB PHE 13 18.632 -3.189 -6.423 99 HB3 PHE 13 3HB PHE 13 18.068 -2.125 -5.139 100 HD1 PHE 13 HD1 PHE 13 19.013 -2.339 -8.673 101 HD2 PHE 13 HD2 PHE 13 17.488 0.160 -5.583 102 HE1 PHE 13 HE1 PHE 13 18.305 -0.693 -10.359 103 HE2 PHE 13 HE2 PHE 13 16.777 1.810 -7.264 104 HZ PHE 13 HZ PHE 13 17.184 1.384 -9.655 105 H LYS 14 H LYS 14 22.489 -2.520 -4.625 106 HA LYS 14 HA LYS 14 21.741 -5.163 -3.580 107 HB2 LYS 14 2HB LYS 14 24.002 -4.213 -5.042 108 HB3 LYS 14 3HB LYS 14 24.555 -4.755 -3.463 109 HG2 LYS 14 2HG LYS 14 23.667 -6.935 -3.812 110 HG3 LYS 14 3HG LYS 14 22.830 -6.421 -5.279 111 HD2 LYS 14 2HD LYS 14 24.830 -7.652 -5.865 112 HD3 LYS 14 3HD LYS 14 25.016 -5.959 -6.328 113 HE2 LYS 14 2HE LYS 14 26.743 -5.660 -4.937 114 HE3 LYS 14 3HE LYS 14 25.943 -6.518 -3.621 115 HZ1 LYS 14 3HZ LYS 14 27.023 -8.055 -5.879 116 HZ2 LYS 14 1HZ LYS 14 26.826 -8.514 -4.262 117 HZ3 LYS 14 2HZ LYS 14 28.088 -7.476 -4.699 118 H GLY 15 H GLY 15 22.819 -5.842 -1.546 119 HA2 GLY 15 2HA GLY 15 23.671 -5.424 0.591 120 HA3 GLY 15 3HA GLY 15 23.669 -3.704 0.230 121 H TYR 16 H TYR 16 22.475 -2.745 1.742 122 HA TYR 16 HA TYR 16 19.835 -3.907 2.353 123 HB2 TYR 16 2HB TYR 16 21.532 -3.914 4.235 124 HB3 TYR 16 3HB TYR 16 21.449 -2.156 4.210 125 HD1 TYR 16 HD1 TYR 16 19.214 -1.049 4.666 126 HD2 TYR 16 HD2 TYR 16 19.925 -5.180 5.395 127 HE1 TYR 16 HE1 TYR 16 17.263 -1.115 6.162 128 HE2 TYR 16 HE2 TYR 16 17.975 -5.257 6.893 129 HH TYR 16 HH TYR 16 15.780 -2.556 7.192 130 H SER 17 H SER 17 18.088 -2.653 2.080 131 HA SER 17 HA SER 17 18.527 0.072 1.100 132 HB2 SER 17 2HB SER 17 15.864 -0.407 0.711 133 HB3 SER 17 3HB SER 17 17.123 -0.748 -0.477 134 HG SER 17 HG SER 17 15.483 -2.467 0.572 135 H VAL 18 H VAL 18 17.562 1.855 2.004 136 HA VAL 18 HA VAL 18 16.093 1.427 4.523 137 HB VAL 18 HB VAL 18 18.325 2.163 5.097 138 HG11 VAL 18 1HG1 VAL 18 19.343 4.138 4.261 139 HG12 VAL 18 2HG1 VAL 18 18.761 3.236 2.861 140 HG13 VAL 18 3HG1 VAL 18 17.862 4.636 3.445 141 HG21 VAL 18 3HG2 VAL 18 16.485 3.023 6.444 142 HG22 VAL 18 1HG2 VAL 18 17.784 4.211 6.332 143 HG23 VAL 18 2HG2 VAL 18 16.324 4.407 5.362 144 H GLU 19 H GLU 19 14.156 2.349 4.562 145 HA GLU 19 HA GLU 19 13.597 4.508 2.638 146 HB2 GLU 19 2HB GLU 19 11.352 3.767 2.506 147 HB3 GLU 19 3HB GLU 19 12.342 2.319 2.400 148 HG2 GLU 19 2HG GLU 19 11.959 2.264 4.999 149 HG3 GLU 19 3HG GLU 19 10.550 3.238 4.583 150 H LEU 20 H LEU 20 12.408 6.308 3.300 151 HA LEU 20 HA LEU 20 11.900 6.580 6.177 152 HB2 LEU 20 2HB LEU 20 12.791 9.087 5.227 153 HB3 LEU 20 3HB LEU 20 13.523 8.056 6.455 154 HG LEU 20 HG LEU 20 14.104 7.666 3.535 155 HD11 LEU 20 1HD1 LEU 20 16.198 9.007 4.027 156 HD12 LEU 20 2HD1 LEU 20 15.350 9.622 5.446 157 HD13 LEU 20 3HD1 LEU 20 14.703 9.923 3.834 158 HD21 LEU 20 3HD2 LEU 20 14.804 6.310 5.892 159 HD22 LEU 20 1HD2 LEU 20 16.249 7.177 5.373 160 HD23 LEU 20 2HD2 LEU 20 15.448 6.060 4.268 161 HA PRO 21 HA PRO 21 8.101 8.412 4.951 162 HB2 PRO 21 2HB PRO 21 7.644 10.076 7.047 163 HB3 PRO 21 3HB PRO 21 7.489 8.319 7.164 164 HG2 PRO 21 2HG PRO 21 9.760 10.081 8.002 165 HG3 PRO 21 3HG PRO 21 9.040 8.703 8.854 166 HD2 PRO 21 2HD PRO 21 11.347 8.504 7.452 167 HD3 PRO 21 3HD PRO 21 10.199 7.158 7.597 168 H VAL 22 H VAL 22 7.092 10.408 4.311 169 HA VAL 22 HA VAL 22 8.616 12.107 2.797 170 HB VAL 22 HB VAL 22 6.209 12.029 2.553 171 HG11 VAL 22 1HG1 VAL 22 6.203 12.353 5.346 172 HG12 VAL 22 2HG1 VAL 22 5.386 13.767 4.675 173 HG13 VAL 22 3HG1 VAL 22 4.816 12.146 4.277 174 HG21 VAL 22 3HG2 VAL 22 6.677 14.850 3.400 175 HG22 VAL 22 1HG2 VAL 22 7.657 14.168 2.102 176 HG23 VAL 22 2HG2 VAL 22 5.901 14.225 1.945 177 H GLY 23 H GLY 23 10.054 13.643 3.227 178 HA2 GLY 23 2HA GLY 23 9.871 15.778 4.894 179 HA3 GLY 23 3HA GLY 23 10.489 14.511 5.943 180 H ASP 24 H ASP 24 12.120 16.511 5.823 181 HA ASP 24 HA ASP 24 14.118 15.875 3.755 182 HB2 ASP 24 2HB ASP 24 15.011 18.222 4.686 183 HB3 ASP 24 3HB ASP 24 13.822 18.109 3.392 184 H TYR 25 H TYR 25 16.209 15.425 4.335 185 HA TYR 25 HA TYR 25 16.808 15.330 7.214 186 HB2 TYR 25 2HB TYR 25 17.667 13.197 5.259 187 HB3 TYR 25 3HB TYR 25 17.799 13.166 7.014 188 HD1 TYR 25 HD1 TYR 25 15.308 13.218 4.251 189 HD2 TYR 25 HD2 TYR 25 16.103 12.207 8.307 190 HE1 TYR 25 HE1 TYR 25 13.134 12.075 4.386 191 HE2 TYR 25 HE2 TYR 25 13.932 11.061 8.453 192 HH TYR 25 HH TYR 25 11.506 11.493 6.747 193 H ASN 26 H ASN 26 18.977 15.620 7.793 194 HA ASN 26 HA ASN 26 20.586 16.933 5.722 195 HB2 ASN 26 2HB ASN 26 20.194 17.337 8.604 196 HB3 ASN 26 3HB ASN 26 21.879 17.413 8.097 197 HD21 ASN 26 1HD2 ASN 26 18.754 18.491 6.795 198 HD22 ASN 26 2HD2 ASN 26 19.262 20.108 6.459 199 H LEU 27 H LEU 27 23.080 16.769 6.441 200 HA LEU 27 HA LEU 27 23.930 14.217 5.734 201 HB2 LEU 27 2HB LEU 27 25.450 15.948 5.380 202 HB3 LEU 27 3HB LEU 27 25.293 16.547 7.031 203 HG LEU 27 HG LEU 27 26.467 13.846 6.671 204 HD11 LEU 27 1HD1 LEU 27 27.510 15.217 4.886 205 HD12 LEU 27 2HD1 LEU 27 28.645 14.696 6.130 206 HD13 LEU 27 3HD1 LEU 27 28.045 16.354 6.123 207 HD21 LEU 27 3HD2 LEU 27 26.729 16.170 8.532 208 HD22 LEU 27 1HD2 LEU 27 28.010 14.961 8.441 209 HD23 LEU 27 2HD2 LEU 27 26.374 14.479 8.890 210 H SER 28 H SER 28 23.645 15.700 8.937 211 HA SER 28 HA SER 28 24.722 13.479 10.350 212 HB2 SER 28 2HB SER 28 23.669 16.091 10.989 213 HB3 SER 28 3HB SER 28 23.021 14.882 12.097 214 HG SER 28 HG SER 28 24.928 14.666 12.962 215 H SER 29 H SER 29 21.581 14.273 9.122 216 HA SER 29 HA SER 29 20.135 12.421 10.767 217 HB2 SER 29 2HB SER 29 19.316 13.747 8.171 218 HB3 SER 29 3HB SER 29 18.239 12.913 9.291 219 HG SER 29 HG SER 29 19.836 15.004 10.251 220 H LEU 30 H LEU 30 21.789 12.301 7.708 221 HA LEU 30 HA LEU 30 20.611 10.006 6.615 222 HB2 LEU 30 2HB LEU 30 23.239 11.374 6.294 223 HB3 LEU 30 3HB LEU 30 23.015 9.778 5.581 224 HG LEU 30 HG LEU 30 21.000 11.882 4.976 225 HD11 LEU 30 1HD1 LEU 30 23.230 11.846 3.102 226 HD12 LEU 30 2HD1 LEU 30 23.656 12.503 4.682 227 HD13 LEU 30 3HD1 LEU 30 22.324 13.207 3.765 228 HD21 LEU 30 3HD2 LEU 30 20.460 10.520 3.276 229 HD22 LEU 30 1HD2 LEU 30 21.351 9.303 4.191 230 HD23 LEU 30 2HD2 LEU 30 22.146 10.178 2.882 231 H ILE 31 H ILE 31 23.506 10.344 8.654 232 HA ILE 31 HA ILE 31 24.072 7.578 8.797 233 HB ILE 31 HB ILE 31 24.825 9.785 10.717 234 HG12 ILE 31 2HG1 ILE 31 27.081 9.043 9.333 235 HG13 ILE 31 3HG1 ILE 31 25.832 8.918 8.100 236 HG21 ILE 31 1HG2 ILE 31 26.770 7.927 10.963 237 HG22 ILE 31 2HG2 ILE 31 25.372 8.040 12.030 238 HG23 ILE 31 3HG2 ILE 31 25.367 6.894 10.690 239 HD11 ILE 31 3HD1 ILE 31 26.207 11.089 7.785 240 HD12 ILE 31 1HD1 ILE 31 25.255 11.320 9.251 241 HD13 ILE 31 2HD1 ILE 31 27.016 11.272 9.341 242 H SER 32 H SER 32 21.902 9.651 10.553 243 HA SER 32 HA SER 32 21.511 8.220 12.893 244 HB2 SER 32 2HB SER 32 20.329 10.419 11.693 245 HB3 SER 32 3HB SER 32 19.011 9.251 11.786 246 HG SER 32 HG SER 32 18.947 10.194 13.727 247 H ARG 33 H ARG 33 20.303 7.606 9.662 248 HA ARG 33 HA ARG 33 18.596 5.437 10.576 249 HB2 ARG 33 2HB ARG 33 19.195 6.169 7.715 250 HB3 ARG 33 3HB ARG 33 17.801 5.301 8.344 251 HG2 ARG 33 2HG ARG 33 17.645 7.684 9.674 252 HG3 ARG 33 3HG ARG 33 18.274 8.167 8.098 253 HD2 ARG 33 2HD ARG 33 16.134 8.146 7.443 254 HD3 ARG 33 3HD ARG 33 16.312 6.392 7.415 255 HE ARG 33 HE ARG 33 14.863 6.286 9.167 256 HH11 ARG 33 1HH1 ARG 33 16.269 9.471 9.090 257 HH12 ARG 33 2HH1 ARG 33 15.294 10.074 10.389 258 HH21 ARG 33 1HH2 ARG 33 13.574 7.070 10.878 259 HH22 ARG 33 2HH2 ARG 33 13.762 8.708 11.406 260 H GLY 34 H GLY 34 21.787 5.910 9.401 261 HA2 GLY 34 2HA GLY 34 23.343 4.061 9.793 262 HA3 GLY 34 3HA GLY 34 22.103 2.981 9.173 263 H ALA 35 H ALA 35 23.201 6.081 7.855 264 HA ALA 35 HA ALA 35 24.617 4.770 5.696 265 HB1 ALA 35 1HB ALA 35 22.983 4.801 4.199 266 HB2 ALA 35 2HB ALA 35 21.886 5.516 5.381 267 HB3 ALA 35 3HB ALA 35 22.881 6.555 4.361 268 H LEU 36 H LEU 36 26.354 5.944 5.227 269 HA LEU 36 HA LEU 36 26.753 8.523 6.371 270 HB2 LEU 36 2HB LEU 36 28.373 6.505 5.417 271 HB3 LEU 36 3HB LEU 36 28.597 7.797 4.239 272 HG LEU 36 HG LEU 36 30.306 7.829 5.999 273 HD11 LEU 36 1HD1 LEU 36 29.389 9.912 4.856 274 HD12 LEU 36 2HD1 LEU 36 30.285 10.144 6.356 275 HD13 LEU 36 3HD1 LEU 36 28.523 10.216 6.362 276 HD21 LEU 36 3HD2 LEU 36 28.163 7.256 7.690 277 HD22 LEU 36 1HD2 LEU 36 28.664 8.892 8.115 278 HD23 LEU 36 2HD2 LEU 36 29.835 7.574 8.156 279 H ASN 37 H ASN 37 26.841 10.523 5.407 280 HA ASN 37 HA ASN 37 25.082 11.135 3.373 281 HB2 ASN 37 2HB ASN 37 25.937 13.332 3.428 282 HB3 ASN 37 3HB ASN 37 26.223 12.706 5.049 283 HD21 ASN 37 1HD2 ASN 37 28.333 12.149 5.663 284 HD22 ASN 37 2HD2 ASN 37 29.709 12.772 4.823 285 H ASP 38 H ASP 38 28.420 10.139 3.170 286 HA ASP 38 HA ASP 38 28.252 10.318 0.233 287 HB2 ASP 38 2HB ASP 38 30.852 10.293 0.446 288 HB3 ASP 38 3HB ASP 38 29.977 11.794 0.735 289 H ASP 39 H ASP 39 27.255 8.199 0.317 290 HA ASP 39 HA ASP 39 29.184 6.114 -0.014 291 HB2 ASP 39 2HB ASP 39 29.144 5.796 2.309 292 HB3 ASP 39 3HB ASP 39 27.420 6.140 2.420 293 H LEU 40 H LEU 40 25.786 6.990 0.384 294 HA LEU 40 HA LEU 40 24.549 4.807 -0.759 295 HB2 LEU 40 2HB LEU 40 23.908 7.659 -0.435 296 HB3 LEU 40 3HB LEU 40 23.018 6.830 -1.710 297 HG LEU 40 HG LEU 40 22.094 5.273 -0.125 298 HD11 LEU 40 1HD1 LEU 40 22.577 5.406 2.257 299 HD12 LEU 40 2HD1 LEU 40 23.755 6.684 1.959 300 HD13 LEU 40 3HD1 LEU 40 24.041 5.059 1.337 301 HD21 LEU 40 3HD2 LEU 40 20.727 6.762 1.183 302 HD22 LEU 40 1HD2 LEU 40 21.010 7.483 -0.402 303 HD23 LEU 40 2HD2 LEU 40 21.905 8.063 1.004 304 H SER 41 H SER 41 24.349 3.988 -2.755 305 HA SER 41 HA SER 41 25.274 5.604 -5.032 306 HB2 SER 41 2HB SER 41 26.694 3.464 -3.983 307 HB3 SER 41 3HB SER 41 25.824 2.754 -5.343 308 HG SER 41 HG SER 41 27.530 5.022 -5.406 309 H SER 42 H SER 42 22.717 4.195 -3.702 310 HA SER 42 HA SER 42 21.360 3.897 -6.240 311 HB2 SER 42 2HB SER 42 22.016 1.583 -4.488 312 HB3 SER 42 3HB SER 42 20.401 1.625 -5.194 313 HG SER 42 HG SER 42 22.795 1.921 -6.686 314 H ALA 43 H ALA 43 18.991 3.514 -5.914 315 HA ALA 43 HA ALA 43 17.775 3.847 -3.388 316 HB1 ALA 43 1HB ALA 43 16.859 6.234 -4.147 317 HB2 ALA 43 2HB ALA 43 18.299 6.041 -3.146 318 HB3 ALA 43 3HB ALA 43 18.461 6.310 -4.882 319 H ARG 44 H ARG 44 15.739 3.146 -3.548 320 HA ARG 44 HA ARG 44 14.599 2.832 -6.223 321 HB2 ARG 44 2HB ARG 44 14.801 0.904 -4.567 322 HB3 ARG 44 3HB ARG 44 13.519 1.687 -3.652 323 HG2 ARG 44 2HG ARG 44 12.480 1.606 -6.188 324 HG3 ARG 44 3HG ARG 44 13.381 0.092 -6.082 325 HD2 ARG 44 2HD ARG 44 12.215 -0.379 -3.936 326 HD3 ARG 44 3HD ARG 44 11.241 1.068 -4.196 327 HE ARG 44 HE ARG 44 11.088 -0.656 -6.438 328 HH11 ARG 44 1HH1 ARG 44 9.958 -0.292 -3.165 329 HH12 ARG 44 2HH1 ARG 44 8.501 -1.193 -3.430 330 HH21 ARG 44 1HH2 ARG 44 9.175 -1.844 -6.799 331 HH22 ARG 44 2HH2 ARG 44 8.057 -2.076 -5.497 332 H VAL 45 H VAL 45 12.881 3.946 -6.917 333 HA VAL 45 HA VAL 45 11.028 5.170 -5.057 334 HB VAL 45 HB VAL 45 12.619 6.939 -5.095 335 HG11 VAL 45 1HG1 VAL 45 13.116 6.015 -7.757 336 HG12 VAL 45 2HG1 VAL 45 12.794 7.750 -7.784 337 HG13 VAL 45 3HG1 VAL 45 14.078 7.106 -6.760 338 HG21 VAL 45 3HG2 VAL 45 10.036 7.279 -5.851 339 HG22 VAL 45 1HG2 VAL 45 11.156 8.597 -5.508 340 HG23 VAL 45 2HG2 VAL 45 10.883 8.083 -7.173 341 HA PRO 46 HA PRO 46 9.045 3.671 -8.926 342 HB2 PRO 46 2HB PRO 46 6.836 2.717 -7.670 343 HB3 PRO 46 3HB PRO 46 8.329 1.785 -7.828 344 HG2 PRO 46 2HG PRO 46 7.322 3.366 -5.494 345 HG3 PRO 46 3HG PRO 46 8.081 1.763 -5.516 346 HD2 PRO 46 2HD PRO 46 9.442 4.011 -4.861 347 HD3 PRO 46 3HD PRO 46 10.209 2.634 -5.679 348 H SER 47 H SER 47 6.798 4.151 -9.741 349 HA SER 47 HA SER 47 6.288 6.863 -9.772 350 HB2 SER 47 2HB SER 47 5.231 4.629 -11.034 351 HB3 SER 47 3HB SER 47 3.854 5.299 -10.159 352 HG SER 47 HG SER 47 3.756 6.674 -11.735 353 H GLY 48 H GLY 48 5.279 8.264 -8.473 354 HA2 GLY 48 2HA GLY 48 3.415 8.810 -7.023 355 HA3 GLY 48 3HA GLY 48 3.529 7.189 -6.356 356 H LEU 49 H LEU 49 6.622 8.215 -6.741 357 HA LEU 49 HA LEU 49 6.725 9.512 -4.104 358 HB2 LEU 49 2HB LEU 49 7.875 6.975 -4.934 359 HB3 LEU 49 3HB LEU 49 9.086 8.085 -4.293 360 HG LEU 49 HG LEU 49 8.030 6.437 -2.666 361 HD11 LEU 49 1HD1 LEU 49 8.914 7.837 -1.196 362 HD12 LEU 49 2HD1 LEU 49 7.478 8.856 -1.288 363 HD13 LEU 49 3HD1 LEU 49 8.832 9.141 -2.381 364 HD21 LEU 49 3HD2 LEU 49 5.863 6.643 -1.990 365 HD22 LEU 49 1HD2 LEU 49 5.685 7.147 -3.671 366 HD23 LEU 49 2HD2 LEU 49 5.781 8.359 -2.394 367 H ARG 50 H ARG 50 8.007 11.258 -3.981 368 HA ARG 50 HA ARG 50 9.858 11.767 -6.216 369 HB2 ARG 50 2HB ARG 50 7.832 13.171 -6.385 370 HB3 ARG 50 3HB ARG 50 8.154 13.809 -4.779 371 HG2 ARG 50 2HG ARG 50 10.482 14.410 -5.903 372 HG3 ARG 50 3HG ARG 50 9.483 14.394 -7.358 373 HD2 ARG 50 2HD ARG 50 7.890 15.919 -6.119 374 HD3 ARG 50 3HD ARG 50 9.146 16.085 -4.892 375 HE ARG 50 HE ARG 50 10.361 16.677 -7.289 376 HH11 ARG 50 1HH1 ARG 50 7.683 17.914 -5.439 377 HH12 ARG 50 2HH1 ARG 50 7.865 19.537 -6.018 378 HH21 ARG 50 1HH2 ARG 50 10.609 18.810 -8.058 379 HH22 ARG 50 2HH2 ARG 50 9.529 20.046 -7.508 380 H LEU 51 H LEU 51 11.878 12.365 -5.685 381 HA LEU 51 HA LEU 51 12.424 13.276 -2.954 382 HB2 LEU 51 2HB LEU 51 14.323 11.771 -2.758 383 HB3 LEU 51 3HB LEU 51 12.818 10.877 -2.962 384 HG LEU 51 HG LEU 51 13.583 10.879 -5.498 385 HD11 LEU 51 1HD1 LEU 51 16.117 11.297 -3.938 386 HD12 LEU 51 2HD1 LEU 51 15.545 12.172 -5.358 387 HD13 LEU 51 3HD1 LEU 51 16.088 10.501 -5.512 388 HD21 LEU 51 3HD2 LEU 51 13.801 9.082 -3.279 389 HD22 LEU 51 1HD2 LEU 51 15.165 8.847 -4.372 390 HD23 LEU 51 2HD2 LEU 51 13.515 8.722 -4.982 391 H GLU 52 H GLU 52 14.453 14.385 -2.713 392 HA GLU 52 HA GLU 52 15.719 15.222 -5.226 393 HB2 GLU 52 2HB GLU 52 14.416 16.956 -3.169 394 HB3 GLU 52 3HB GLU 52 15.837 17.559 -4.010 395 HG2 GLU 52 2HG GLU 52 14.499 18.231 -5.635 396 HG3 GLU 52 3HG GLU 52 14.197 16.536 -6.013 397 H VAL 53 H VAL 53 17.844 14.977 -5.128 398 HA VAL 53 HA VAL 53 19.127 14.547 -2.552 399 HB VAL 53 HB VAL 53 20.394 14.406 -5.288 400 HG11 VAL 53 1HG1 VAL 53 22.050 14.540 -3.594 401 HG12 VAL 53 2HG1 VAL 53 21.192 13.387 -2.570 402 HG13 VAL 53 3HG1 VAL 53 21.947 12.845 -4.069 403 HG21 VAL 53 3HG2 VAL 53 20.058 11.909 -4.982 404 HG22 VAL 53 1HG2 VAL 53 18.898 12.322 -3.719 405 HG23 VAL 53 2HG2 VAL 53 18.620 12.850 -5.378 406 H PHE 54 H PHE 54 20.700 15.820 -1.669 407 HA PHE 54 HA PHE 54 21.402 18.291 -3.102 408 HB2 PHE 54 2HB PHE 54 20.841 18.162 -0.136 409 HB3 PHE 54 3HB PHE 54 21.133 19.601 -1.108 410 HD1 PHE 54 HD1 PHE 54 19.438 19.934 -3.102 411 HD2 PHE 54 HD2 PHE 54 18.675 17.616 0.386 412 HE1 PHE 54 HE1 PHE 54 17.018 20.174 -3.476 413 HE2 PHE 54 HE2 PHE 54 16.254 17.852 0.017 414 HZ PHE 54 HZ PHE 54 15.423 19.131 -1.916 415 H GLN 55 H GLN 55 23.439 17.564 -3.649 416 HA GLN 55 HA GLN 55 25.235 16.165 -2.093 417 HB2 GLN 55 2HB GLN 55 27.012 17.260 -3.495 418 HB3 GLN 55 3HB GLN 55 25.711 16.503 -4.406 419 HG2 GLN 55 2HG GLN 55 24.652 18.783 -4.560 420 HG3 GLN 55 3HG GLN 55 26.158 19.431 -3.911 421 HE21 GLN 55 1HE2 GLN 55 27.948 19.538 -5.196 422 HE22 GLN 55 2HE2 GLN 55 27.928 19.191 -6.888 423 H HIS 56 H HIS 56 24.844 19.689 -2.332 424 HA HIS 56 HA HIS 56 26.791 20.127 -0.230 425 HB2 HIS 56 2HB HIS 56 25.181 21.893 -2.036 426 HB3 HIS 56 3HB HIS 56 25.896 22.572 -0.576 427 HD1 HIS 56 HD1 HIS 56 27.793 19.938 -2.388 428 HD2 HIS 56 HD2 HIS 56 27.674 24.085 -2.167 429 HE1 HIS 56 HE1 HIS 56 29.892 20.732 -3.522 430 H ASN 57 H ASN 57 26.199 21.595 1.610 431 HA ASN 57 HA ASN 57 23.627 20.725 2.733 432 HB2 ASN 57 2HB ASN 57 24.573 20.855 4.872 433 HB3 ASN 57 3HB ASN 57 25.888 20.227 3.884 434 HD21 ASN 57 1HD2 ASN 57 25.472 22.070 6.374 435 HD22 ASN 57 2HD2 ASN 57 26.631 23.322 6.101 436 H ASN 58 H ASN 58 22.511 22.270 4.169 437 HA ASN 58 HA ASN 58 21.481 24.262 4.553 438 HB2 ASN 58 2HB ASN 58 24.179 24.810 4.705 439 HB3 ASN 58 3HB ASN 58 23.610 26.000 3.538 440 HD21 ASN 58 1HD2 ASN 58 23.282 27.859 4.504 441 HD22 ASN 58 2HD2 ASN 58 22.537 28.092 6.046 442 H PHE 59 H PHE 59 21.727 22.980 1.771 443 HA PHE 59 HA PHE 59 21.032 23.380 -0.362 444 HB2 PHE 59 2HB PHE 59 19.327 25.214 1.292 445 HB3 PHE 59 3HB PHE 59 19.172 25.207 -0.462 446 HD1 PHE 59 HD1 PHE 59 19.354 22.746 2.339 447 HD2 PHE 59 HD2 PHE 59 17.548 23.862 -1.349 448 HE1 PHE 59 HE1 PHE 59 17.860 20.796 2.485 449 HE2 PHE 59 HE2 PHE 59 16.050 21.916 -1.209 450 HZ PHE 59 HZ PHE 59 16.204 20.380 0.710 451 H LYS 60 H LYS 60 23.431 24.389 -0.181 452 HA LYS 60 HA LYS 60 23.906 27.093 -0.413 453 HB2 LYS 60 2HB LYS 60 25.288 24.638 -1.162 454 HB3 LYS 60 3HB LYS 60 25.653 25.969 -2.252 455 HG2 LYS 60 2HG LYS 60 27.007 26.897 -0.766 456 HG3 LYS 60 3HG LYS 60 25.757 26.857 0.479 457 HD2 LYS 60 2HD LYS 60 26.337 24.416 0.800 458 HD3 LYS 60 3HD LYS 60 27.744 24.706 -0.226 459 HE2 LYS 60 2HE LYS 60 28.190 26.670 1.432 460 HE3 LYS 60 3HE LYS 60 27.133 25.755 2.506 461 HZ1 LYS 60 3HZ LYS 60 29.151 24.140 1.257 462 HZ2 LYS 60 1HZ LYS 60 28.717 24.256 2.888 463 HZ3 LYS 60 2HZ LYS 60 29.799 25.371 2.220 464 H GLY 61 H GLY 61 23.772 24.937 -3.254 465 HA2 GLY 61 2HA GLY 61 21.950 26.680 -4.640 466 HA3 GLY 61 3HA GLY 61 23.601 26.805 -5.232 467 H VAL 62 H VAL 62 24.574 24.368 -5.349 468 HA VAL 62 HA VAL 62 23.248 23.196 -7.555 469 HB VAL 62 HB VAL 62 25.632 22.977 -7.389 470 HG11 VAL 62 1HG1 VAL 62 26.008 21.054 -5.351 471 HG12 VAL 62 2HG1 VAL 62 26.626 22.706 -5.423 472 HG13 VAL 62 3HG1 VAL 62 25.070 22.377 -4.659 473 HG21 VAL 62 3HG2 VAL 62 25.906 20.581 -7.731 474 HG22 VAL 62 1HG2 VAL 62 24.347 20.280 -6.964 475 HG23 VAL 62 2HG2 VAL 62 24.423 21.152 -8.495 476 H ARG 63 H ARG 63 21.463 22.014 -7.492 477 HA ARG 63 HA ARG 63 21.129 20.078 -5.306 478 HB2 ARG 63 2HB ARG 63 18.689 20.575 -5.312 479 HB3 ARG 63 3HB ARG 63 19.678 21.918 -4.755 480 HG2 ARG 63 2HG ARG 63 19.333 23.140 -6.718 481 HG3 ARG 63 3HG ARG 63 18.760 21.723 -7.601 482 HD2 ARG 63 2HD ARG 63 16.664 22.144 -6.998 483 HD3 ARG 63 3HD ARG 63 17.119 22.139 -5.294 484 HE ARG 63 HE ARG 63 17.876 24.595 -6.387 485 HH11 ARG 63 1HH1 ARG 63 14.977 22.804 -5.673 486 HH12 ARG 63 2HH1 ARG 63 14.009 24.219 -5.423 487 HH21 ARG 63 1HH2 ARG 63 16.612 26.465 -6.061 488 HH22 ARG 63 2HH2 ARG 63 14.939 26.301 -5.646 489 H ASP 64 H ASP 64 19.754 18.265 -5.826 490 HA ASP 64 HA ASP 64 19.420 17.814 -8.716 491 HB2 ASP 64 2HB ASP 64 20.573 15.909 -6.672 492 HB3 ASP 64 3HB ASP 64 20.056 15.414 -8.282 493 H PHE 65 H PHE 65 17.747 16.352 -9.309 494 HA PHE 65 HA PHE 65 15.831 15.701 -7.180 495 HB2 PHE 65 2HB PHE 65 14.001 16.337 -8.838 496 HB3 PHE 65 3HB PHE 65 14.891 17.667 -8.104 497 HD1 PHE 65 HD2 PHE 65 16.512 18.948 -9.414 498 HD2 PHE 65 HD1 PHE 65 14.150 15.878 -11.176 499 HE1 PHE 65 HE2 PHE 65 17.059 19.816 -11.650 500 HE2 PHE 65 HE1 PHE 65 14.694 16.740 -13.416 501 HZ PHE 65 HZ PHE 65 16.149 18.712 -13.655 502 H TYR 66 H TYR 66 14.951 13.720 -7.322 503 HA TYR 66 HA TYR 66 15.224 12.246 -9.851 504 HB2 TYR 66 2HB TYR 66 16.464 11.643 -7.277 505 HB3 TYR 66 3HB TYR 66 15.514 10.300 -7.904 506 HD1 TYR 66 HD1 TYR 66 15.932 9.837 -10.509 507 HD2 TYR 66 HD2 TYR 66 18.684 11.741 -7.882 508 HE1 TYR 66 HE1 TYR 66 17.780 9.227 -12.012 509 HE2 TYR 66 HE2 TYR 66 20.540 11.137 -9.378 510 HH TYR 66 HH TYR 66 19.996 9.795 -12.532 511 H THR 67 H THR 67 13.543 10.932 -10.380 512 HA THR 67 HA THR 67 11.424 10.497 -8.402 513 HB THR 67 HB THR 67 9.709 11.027 -10.166 514 HG1 THR 67 HG1 THR 67 12.059 11.852 -11.493 515 HG21 THR 67 3HG2 THR 67 10.458 12.586 -8.293 516 HG22 THR 67 1HG2 THR 67 9.649 13.334 -9.669 517 HG23 THR 67 2HG2 THR 67 11.404 13.428 -9.520 518 H SER 68 H SER 68 13.505 8.842 -9.779 519 HA SER 68 HA SER 68 11.758 6.644 -10.472 520 HB2 SER 68 2HB SER 68 13.392 6.351 -12.588 521 HB3 SER 68 3HB SER 68 11.854 7.209 -12.684 522 HG SER 68 HG SER 68 14.287 8.510 -12.057 523 H ASP 69 H ASP 69 12.989 4.611 -10.792 524 HA ASP 69 HA ASP 69 14.733 4.094 -8.721 525 HB2 ASP 69 2HB ASP 69 15.301 2.003 -9.915 526 HB3 ASP 69 3HB ASP 69 13.568 2.317 -9.906 527 H ALA 70 H ALA 70 16.621 5.058 -8.359 528 HA ALA 70 HA ALA 70 18.442 5.482 -10.636 529 HB1 ALA 70 1HB ALA 70 17.535 7.414 -9.067 530 HB2 ALA 70 2HB ALA 70 18.886 6.891 -8.061 531 HB3 ALA 70 3HB ALA 70 19.176 7.432 -9.714 532 H ALA 71 H ALA 71 20.226 4.292 -10.712 533 HA ALA 71 HA ALA 71 21.014 2.783 -8.321 534 HB1 ALA 71 1HB ALA 71 21.837 1.133 -9.684 535 HB2 ALA 71 2HB ALA 71 20.520 1.753 -10.681 536 HB3 ALA 71 3HB ALA 71 22.182 2.246 -11.009 537 H GLU 72 H GLU 72 21.668 5.648 -8.905 538 HA GLU 72 HA GLU 72 24.326 5.638 -7.971 539 HB2 GLU 72 2HB GLU 72 24.044 5.477 -10.819 540 HB3 GLU 72 3HB GLU 72 24.729 7.040 -10.398 541 HG2 GLU 72 2HG GLU 72 26.248 5.486 -8.850 542 HG3 GLU 72 3HG GLU 72 25.869 4.331 -10.126 543 H LEU 73 H LEU 73 23.932 7.209 -6.537 544 HA LEU 73 HA LEU 73 22.172 9.321 -6.750 545 HB2 LEU 73 2HB LEU 73 24.634 8.840 -5.144 546 HB3 LEU 73 3HB LEU 73 23.907 10.446 -5.119 547 HG LEU 73 HG LEU 73 22.563 7.874 -4.290 548 HD11 LEU 73 1HD1 LEU 73 24.286 8.652 -2.725 549 HD12 LEU 73 2HD1 LEU 73 22.664 8.787 -2.047 550 HD13 LEU 73 3HD1 LEU 73 23.491 10.225 -2.646 551 HD21 LEU 73 3HD2 LEU 73 20.736 9.058 -4.908 552 HD22 LEU 73 1HD2 LEU 73 21.567 10.610 -4.797 553 HD23 LEU 73 2HD2 LEU 73 20.986 9.815 -3.334 554 H SER 74 H SER 74 22.779 11.691 -6.773 555 HA SER 74 HA SER 74 23.683 12.454 -9.265 556 HB2 SER 74 2HB SER 74 23.980 14.224 -6.841 557 HB3 SER 74 3HB SER 74 23.603 14.693 -8.498 558 HG SER 74 HG SER 74 21.924 14.044 -6.522 559 H ARG 75 H ARG 75 25.494 13.134 -6.269 560 HA ARG 75 HA ARG 75 27.974 13.009 -7.835 561 HB2 ARG 75 2HB ARG 75 27.243 15.035 -6.343 562 HB3 ARG 75 3HB ARG 75 27.838 14.035 -5.025 563 HG2 ARG 75 2HG ARG 75 29.872 14.799 -5.434 564 HG3 ARG 75 3HG ARG 75 29.830 13.970 -6.992 565 HD2 ARG 75 2HD ARG 75 28.769 15.962 -7.987 566 HD3 ARG 75 3HD ARG 75 28.902 16.785 -6.433 567 HE ARG 75 HE ARG 75 31.109 17.178 -6.878 568 HH11 ARG 75 1HH1 ARG 75 29.959 14.667 -8.997 569 HH12 ARG 75 2HH1 ARG 75 31.413 14.614 -9.938 570 HH21 ARG 75 1HH2 ARG 75 33.028 17.119 -8.109 571 HH22 ARG 75 2HH2 ARG 75 33.158 16.009 -9.431 572 H ASP 76 H ASP 76 29.336 11.367 -7.583 573 HA ASP 76 HA ASP 76 28.786 9.096 -6.099 574 HB2 ASP 76 2HB ASP 76 31.315 10.177 -7.306 575 HB3 ASP 76 3HB ASP 76 31.343 8.688 -6.365 576 H ASN 77 H ASN 77 28.630 8.887 -3.972 577 HA ASN 77 HA ASN 77 28.953 9.178 -1.735 578 HB2 ASN 77 2HB ASN 77 31.860 9.682 -2.280 579 HB3 ASN 77 3HB ASN 77 31.118 8.756 -0.979 580 HD21 ASN 77 1HD2 ASN 77 30.928 6.624 -1.199 581 HD22 ASN 77 2HD2 ASN 77 31.271 5.739 -2.642 582 H ASP 78 H ASP 78 27.828 11.341 -2.370 583 HA ASP 78 HA ASP 78 28.989 13.372 -0.766 584 HB2 ASP 78 2HB ASP 78 29.390 13.506 -3.693 585 HB3 ASP 78 3HB ASP 78 28.821 14.989 -2.932 586 H ALA 79 H ALA 79 26.821 12.770 0.050 587 HA ALA 79 HA ALA 79 24.760 14.435 -1.232 588 HB1 ALA 79 1HB ALA 79 24.187 11.807 0.122 589 HB2 ALA 79 2HB ALA 79 23.066 12.818 -0.789 590 HB3 ALA 79 3HB ALA 79 24.382 11.990 -1.621 591 H SER 80 H SER 80 25.340 16.090 0.261 592 HA SER 80 HA SER 80 25.531 15.891 3.006 593 HB2 SER 80 2HB SER 80 26.094 17.997 2.249 594 HB3 SER 80 3HB SER 80 24.724 18.082 1.142 595 HG SER 80 HG SER 80 24.731 18.434 3.950 596 H SER 81 H SER 81 22.616 17.177 1.412 597 HA SER 81 HA SER 81 21.005 15.795 3.458 598 HB2 SER 81 2HB SER 81 20.733 18.023 4.063 599 HB3 SER 81 3HB SER 81 20.833 18.594 2.397 600 HG SER 81 HG SER 81 18.657 17.918 3.835 601 H VAL 82 H VAL 82 18.791 15.289 2.807 602 HA VAL 82 HA VAL 82 18.376 15.104 -0.089 603 HB VAL 82 HB VAL 82 17.482 12.750 0.280 604 HG11 VAL 82 1HG1 VAL 82 20.358 13.540 0.320 605 HG12 VAL 82 2HG1 VAL 82 19.930 11.830 0.411 606 HG13 VAL 82 3HG1 VAL 82 19.412 12.798 -0.970 607 HG21 VAL 82 3HG2 VAL 82 19.111 13.016 2.807 608 HG22 VAL 82 1HG2 VAL 82 17.363 12.798 2.707 609 HG23 VAL 82 2HG2 VAL 82 18.444 11.511 2.173 610 H ARG 83 H ARG 83 16.121 14.472 -0.634 611 HA ARG 83 HA ARG 83 14.199 15.204 1.466 612 HB2 ARG 83 2HB ARG 83 14.844 16.737 -0.859 613 HB3 ARG 83 3HB ARG 83 13.201 16.134 -1.026 614 HG2 ARG 83 2HG ARG 83 12.438 17.309 0.799 615 HG3 ARG 83 3HG ARG 83 14.040 17.412 1.533 616 HD2 ARG 83 2HD ARG 83 14.674 19.189 0.224 617 HD3 ARG 83 3HD ARG 83 13.572 18.756 -1.082 618 HE ARG 83 HE ARG 83 12.240 19.584 1.325 619 HH11 ARG 83 1HH1 ARG 83 13.718 20.651 -1.641 620 HH12 ARG 83 2HH1 ARG 83 12.826 22.135 -1.704 621 HH21 ARG 83 1HH2 ARG 83 11.060 21.535 1.253 622 HH22 ARG 83 2HH2 ARG 83 11.316 22.638 -0.057 623 H VAL 84 H VAL 84 12.319 14.065 1.475 624 HA VAL 84 HA VAL 84 11.788 12.244 -0.768 625 HB VAL 84 HB VAL 84 11.362 10.380 0.668 626 HG11 VAL 84 1HG1 VAL 84 13.756 10.997 0.036 627 HG12 VAL 84 2HG1 VAL 84 13.938 11.520 1.711 628 HG13 VAL 84 3HG1 VAL 84 13.541 9.840 1.348 629 HG21 VAL 84 3HG2 VAL 84 11.522 12.427 2.810 630 HG22 VAL 84 1HG2 VAL 84 10.426 11.056 2.630 631 HG23 VAL 84 2HG2 VAL 84 12.077 10.798 3.194 632 H SER 85 H SER 85 9.670 11.975 -1.268 633 HA SER 85 HA SER 85 7.556 12.599 0.566 634 HB2 SER 85 2HB SER 85 7.636 14.362 -1.868 635 HB3 SER 85 3HB SER 85 6.703 14.563 -0.385 636 HG SER 85 HG SER 85 9.086 15.571 -0.974 637 H LYS 86 H LYS 86 5.382 12.497 -0.588 638 HA LYS 86 HA LYS 86 5.526 10.368 -2.609 639 HB2 LYS 86 2HB LYS 86 3.313 11.128 -0.696 640 HB3 LYS 86 3HB LYS 86 3.177 9.873 -1.920 641 HG2 LYS 86 2HG LYS 86 3.940 8.435 -0.420 642 HG3 LYS 86 3HG LYS 86 5.500 9.257 -0.507 643 HD2 LYS 86 2HD LYS 86 4.925 9.232 1.779 644 HD3 LYS 86 3HD LYS 86 4.579 10.872 1.225 645 HE2 LYS 86 2HE LYS 86 2.200 10.177 0.914 646 HE3 LYS 86 3HE LYS 86 2.605 8.636 1.668 647 HZ1 LYS 86 3HZ LYS 86 2.870 9.597 3.709 648 HZ2 LYS 86 1HZ LYS 86 1.655 10.591 3.077 649 HZ3 LYS 86 2HZ LYS 86 3.262 11.120 3.085 650 H MET 87 H MET 87 5.142 10.952 -4.633 651 HA MET 87 HA MET 87 4.159 13.474 -5.394 652 HB2 MET 87 2HB MET 87 5.432 11.420 -6.676 653 HB3 MET 87 3HB MET 87 3.817 11.320 -7.365 654 HG2 MET 87 2HG MET 87 4.827 14.042 -7.263 655 HG3 MET 87 3HG MET 87 5.851 12.963 -8.208 656 HE1 MET 87 3HE MET 87 3.874 15.605 -9.143 657 HE2 MET 87 1HE MET 87 2.279 15.078 -9.681 658 HE3 MET 87 2HE MET 87 2.700 15.007 -7.970 659 H GLU 88 H GLU 88 2.605 10.304 -5.933 660 HA GLU 88 HA GLU 88 0.007 11.585 -5.433 661 HB2 GLU 88 2HB GLU 88 0.531 9.607 -7.657 662 HB3 GLU 88 3HB GLU 88 -0.990 10.414 -7.304 663 HG2 GLU 88 2HG GLU 88 0.631 12.545 -7.635 664 HG3 GLU 88 3HG GLU 88 1.383 11.388 -8.731 665 H THR 89 H THR 89 1.817 9.813 -3.862 666 HA THR 89 HA THR 89 1.715 7.986 -2.502 667 HB THR 89 HB THR 89 -1.142 7.546 -2.526 668 HG1 THR 89 HG1 THR 89 -0.314 10.225 -2.020 669 HG21 THR 89 3HG2 THR 89 0.966 8.390 -0.587 670 HG22 THR 89 1HG2 THR 89 -0.091 6.979 -0.553 671 HG23 THR 89 2HG2 THR 89 -0.732 8.571 -0.146 672 H THR 90 H THR 90 0.204 5.780 -2.289 673 HA THR 90 HA THR 90 -0.272 4.602 -4.890 674 HB THR 90 HB THR 90 1.284 2.630 -4.229 675 HG1 THR 90 HG1 THR 90 2.528 4.777 -2.821 676 HG21 THR 90 3HG2 THR 90 2.797 5.080 -5.039 677 HG22 THR 90 1HG2 THR 90 1.526 4.449 -6.085 678 HG23 THR 90 2HG2 THR 90 2.908 3.437 -5.669 679 H ASN 91 H ASN 91 -1.716 2.955 -4.802 680 HA ASN 91 HA ASN 91 -2.770 2.282 -2.156 681 HB2 ASN 91 2HB ASN 91 -3.891 2.381 -4.906 682 HB3 ASN 91 3HB ASN 91 -4.548 1.155 -3.825 683 HD21 ASN 91 1HD2 ASN 91 -6.506 1.972 -3.400 684 HD22 ASN 91 2HD2 ASN 91 -6.792 3.506 -2.659 Start of MODEL 2 1 H GLY 1 H GLY 1 0.868 -1.813 0.917 2 HA2 GLY 1 2HA GLY 1 2.370 -1.371 -0.999 3 HA3 GLY 1 3HA GLY 1 1.685 0.247 -1.039 4 H GLU 2 H GLU 2 4.437 -0.258 -0.882 5 HA GLU 2 HA GLU 2 5.344 -0.054 1.823 6 HB2 GLU 2 2HB GLU 2 6.548 -0.154 -0.846 7 HB3 GLU 2 3HB GLU 2 7.416 0.886 0.275 8 HG2 GLU 2 2HG GLU 2 8.381 -1.277 0.396 9 HG3 GLU 2 3HG GLU 2 7.475 -1.012 1.884 10 H LYS 3 H LYS 3 5.196 2.254 -0.887 11 HA LYS 3 HA LYS 3 5.153 4.528 -0.953 12 HB2 LYS 3 2HB LYS 3 4.023 4.364 1.842 13 HB3 LYS 3 3HB LYS 3 3.800 5.661 0.675 14 HG2 LYS 3 2HG LYS 3 2.718 2.858 0.473 15 HG3 LYS 3 3HG LYS 3 1.800 4.327 0.814 16 HD2 LYS 3 2HD LYS 3 3.098 4.952 -1.524 17 HD3 LYS 3 3HD LYS 3 2.727 3.239 -1.733 18 HE2 LYS 3 2HE LYS 3 0.422 4.403 -0.638 19 HE3 LYS 3 3HE LYS 3 0.982 5.521 -1.881 20 HZ1 LYS 3 3HZ LYS 3 -0.087 4.170 -3.277 21 HZ2 LYS 3 1HZ LYS 3 -0.181 2.905 -2.157 22 HZ3 LYS 3 2HZ LYS 3 1.219 3.113 -3.083 23 H THR 4 H THR 4 7.616 3.671 -0.449 24 HA THR 4 HA THR 4 8.748 5.825 1.077 25 HB THR 4 HB THR 4 8.270 4.145 2.856 26 HG1 THR 4 HG1 THR 4 10.280 5.606 2.643 27 HG21 THR 4 3HG2 THR 4 9.365 2.053 2.934 28 HG22 THR 4 1HG2 THR 4 10.416 2.463 1.580 29 HG23 THR 4 2HG2 THR 4 8.699 2.172 1.305 30 H VAL 5 H VAL 5 10.966 6.131 0.674 31 HA VAL 5 HA VAL 5 11.901 4.796 -1.746 32 HB VAL 5 HB VAL 5 12.016 7.193 -1.815 33 HG11 VAL 5 1HG1 VAL 5 12.759 6.922 0.922 34 HG12 VAL 5 2HG1 VAL 5 14.012 7.837 0.082 35 HG13 VAL 5 3HG1 VAL 5 12.335 8.383 0.031 36 HG21 VAL 5 3HG2 VAL 5 14.882 6.622 -1.348 37 HG22 VAL 5 1HG2 VAL 5 14.042 5.592 -2.509 38 HG23 VAL 5 2HG2 VAL 5 14.080 7.340 -2.745 39 H LYS 6 H LYS 6 13.421 3.278 -1.744 40 HA LYS 6 HA LYS 6 14.851 2.733 0.755 41 HB2 LYS 6 2HB LYS 6 14.041 1.092 -1.598 42 HB3 LYS 6 3HB LYS 6 15.484 0.611 -0.715 43 HG2 LYS 6 2HG LYS 6 14.130 0.572 1.366 44 HG3 LYS 6 3HG LYS 6 12.697 0.895 0.386 45 HD2 LYS 6 2HD LYS 6 14.470 -1.396 -0.334 46 HD3 LYS 6 3HD LYS 6 13.358 -1.563 1.026 47 HE2 LYS 6 2HE LYS 6 11.492 -0.935 -0.445 48 HE3 LYS 6 3HE LYS 6 12.614 -0.810 -1.800 49 HZ1 LYS 6 3HZ LYS 6 11.360 -3.117 -0.722 50 HZ2 LYS 6 1HZ LYS 6 13.041 -3.302 -0.714 51 HZ3 LYS 6 2HZ LYS 6 12.236 -2.950 -2.159 52 H LEU 7 H LEU 7 16.712 3.830 0.868 53 HA LEU 7 HA LEU 7 18.295 4.326 -1.512 54 HB2 LEU 7 2HB LEU 7 18.825 5.056 1.364 55 HB3 LEU 7 3HB LEU 7 19.731 5.631 -0.034 56 HG LEU 7 HG LEU 7 16.818 6.228 0.477 57 HD11 LEU 7 1HD1 LEU 7 19.301 7.530 1.393 58 HD12 LEU 7 2HD1 LEU 7 17.684 7.537 2.097 59 HD13 LEU 7 3HD1 LEU 7 18.057 8.594 0.736 60 HD21 LEU 7 3HD2 LEU 7 17.003 6.574 -1.763 61 HD22 LEU 7 1HD2 LEU 7 18.742 6.856 -1.691 62 HD23 LEU 7 2HD2 LEU 7 17.622 8.127 -1.200 63 H TYR 8 H TYR 8 20.108 3.279 -2.085 64 HA TYR 8 HA TYR 8 21.128 1.217 -0.243 65 HB2 TYR 8 2HB TYR 8 20.819 1.187 -3.240 66 HB3 TYR 8 3HB TYR 8 21.894 0.071 -2.405 67 HD1 TYR 8 HD2 TYR 8 18.351 1.170 -2.609 68 HD2 TYR 8 HD1 TYR 8 21.058 -1.897 -1.440 69 HE1 TYR 8 HE2 TYR 8 16.453 -0.338 -2.194 70 HE2 TYR 8 HE1 TYR 8 19.167 -3.415 -1.023 71 HH TYR 8 HH TYR 8 16.890 -3.713 -1.573 72 H GLU 9 H GLU 9 23.206 1.330 0.318 73 HA GLU 9 HA GLU 9 24.806 3.536 -0.473 74 HB2 GLU 9 2HB GLU 9 26.445 2.703 1.024 75 HB3 GLU 9 3HB GLU 9 24.888 2.331 1.751 76 HG2 GLU 9 2HG GLU 9 25.290 0.059 0.398 77 HG3 GLU 9 3HG GLU 9 26.965 0.530 0.685 78 H ASP 10 H ASP 10 24.581 0.210 -1.508 79 HA ASP 10 HA ASP 10 26.854 0.622 -3.331 80 HB2 ASP 10 2HB ASP 10 25.724 -1.779 -1.977 81 HB3 ASP 10 3HB ASP 10 26.437 -2.000 -3.572 82 H THR 11 H THR 11 26.608 0.419 -5.509 83 HA THR 11 HA THR 11 24.126 0.949 -6.668 84 HB THR 11 HB THR 11 25.162 0.674 -8.800 85 HG1 THR 11 HG1 THR 11 27.043 -0.915 -7.382 86 HG21 THR 11 3HG2 THR 11 27.132 2.035 -8.595 87 HG22 THR 11 1HG2 THR 11 27.345 1.557 -6.912 88 HG23 THR 11 2HG2 THR 11 25.971 2.560 -7.377 89 H HIS 12 H HIS 12 23.014 -0.391 -8.324 90 HA HIS 12 HA HIS 12 21.837 -2.241 -8.930 91 HB2 HIS 12 2HB HIS 12 24.102 -3.871 -7.776 92 HB3 HIS 12 3HB HIS 12 22.964 -4.349 -9.033 93 HD1 HIS 12 HD1 HIS 12 26.175 -4.208 -9.224 94 HD2 HIS 12 HD2 HIS 12 23.443 -1.529 -10.841 95 HE1 HIS 12 HE1 HIS 12 27.379 -3.087 -11.126 96 H PHE 13 H PHE 13 21.669 -1.082 -6.196 97 HA PHE 13 HA PHE 13 20.619 -1.469 -4.215 98 HB2 PHE 13 2HB PHE 13 19.367 -3.857 -5.571 99 HB3 PHE 13 3HB PHE 13 18.699 -2.886 -4.264 100 HD1 PHE 13 HD2 PHE 13 19.114 -0.163 -5.216 101 HD2 PHE 13 HD1 PHE 13 17.902 -3.646 -7.341 102 HE1 PHE 13 HE2 PHE 13 17.952 1.250 -6.860 103 HE2 PHE 13 HE1 PHE 13 16.738 -2.238 -8.990 104 HZ PHE 13 HZ PHE 13 16.761 0.213 -8.750 105 H LYS 14 H LYS 14 23.130 -2.349 -4.100 106 HA LYS 14 HA LYS 14 23.057 -5.071 -3.009 107 HB2 LYS 14 2HB LYS 14 24.982 -3.593 -4.519 108 HB3 LYS 14 3HB LYS 14 25.691 -4.004 -2.963 109 HG2 LYS 14 2HG LYS 14 26.216 -5.721 -4.551 110 HG3 LYS 14 3HG LYS 14 25.092 -6.368 -3.354 111 HD2 LYS 14 2HD LYS 14 23.631 -5.224 -5.541 112 HD3 LYS 14 3HD LYS 14 24.825 -6.370 -6.155 113 HE2 LYS 14 2HE LYS 14 23.133 -7.130 -3.818 114 HE3 LYS 14 3HE LYS 14 22.435 -7.176 -5.437 115 HZ1 LYS 14 3HZ LYS 14 23.277 -9.267 -5.314 116 HZ2 LYS 14 1HZ LYS 14 24.538 -8.839 -4.271 117 HZ3 LYS 14 2HZ LYS 14 24.648 -8.484 -5.921 118 H GLY 15 H GLY 15 24.042 -5.527 -0.961 119 HA2 GLY 15 2HA GLY 15 24.736 -5.039 1.203 120 HA3 GLY 15 3HA GLY 15 24.715 -3.330 0.795 121 H TYR 16 H TYR 16 23.481 -2.394 2.299 122 HA TYR 16 HA TYR 16 20.947 -3.673 3.044 123 HB2 TYR 16 2HB TYR 16 22.833 -2.722 4.687 124 HB3 TYR 16 3HB TYR 16 21.911 -1.240 4.459 125 HD1 TYR 16 HD2 TYR 16 21.365 -4.848 5.270 126 HD2 TYR 16 HD1 TYR 16 20.148 -0.818 5.891 127 HE1 TYR 16 HE2 TYR 16 19.744 -5.604 6.957 128 HE2 TYR 16 HE1 TYR 16 18.524 -1.563 7.581 129 HH TYR 16 HH TYR 16 17.900 -3.313 8.890 130 H SER 17 H SER 17 19.248 -1.888 3.708 131 HA SER 17 HA SER 17 19.176 0.240 1.694 132 HB2 SER 17 2HB SER 17 16.566 -1.023 2.073 133 HB3 SER 17 3HB SER 17 17.389 -0.565 0.582 134 HG SER 17 HG SER 17 16.993 -2.919 1.094 135 H VAL 18 H VAL 18 18.093 2.077 2.309 136 HA VAL 18 HA VAL 18 17.049 2.095 5.066 137 HB VAL 18 HB VAL 18 18.328 4.413 3.613 138 HG11 VAL 18 1HG1 VAL 18 17.559 4.081 6.511 139 HG12 VAL 18 2HG1 VAL 18 18.309 5.503 5.783 140 HG13 VAL 18 3HG1 VAL 18 16.673 5.033 5.320 141 HG21 VAL 18 3HG2 VAL 18 19.902 3.698 5.802 142 HG22 VAL 18 1HG2 VAL 18 19.512 2.178 4.999 143 HG23 VAL 18 2HG2 VAL 18 20.290 3.478 4.096 144 H GLU 19 H GLU 19 15.004 2.714 5.344 145 HA GLU 19 HA GLU 19 13.552 3.769 3.029 146 HB2 GLU 19 2HB GLU 19 11.612 2.851 3.911 147 HB3 GLU 19 3HB GLU 19 12.833 1.689 4.410 148 HG2 GLU 19 2HG GLU 19 11.640 3.865 6.112 149 HG3 GLU 19 3HG GLU 19 11.295 2.140 6.218 150 H LEU 20 H LEU 20 12.566 5.723 3.022 151 HA LEU 20 HA LEU 20 12.348 7.254 5.489 152 HB2 LEU 20 2HB LEU 20 13.332 9.183 3.847 153 HB3 LEU 20 3HB LEU 20 14.261 8.330 5.077 154 HG LEU 20 HG LEU 20 14.152 7.175 2.335 155 HD11 LEU 20 1HD1 LEU 20 15.231 8.824 1.315 156 HD12 LEU 20 2HD1 LEU 20 16.391 8.964 2.635 157 HD13 LEU 20 3HD1 LEU 20 14.863 9.842 2.707 158 HD21 LEU 20 3HD2 LEU 20 15.946 6.010 3.021 159 HD22 LEU 20 1HD2 LEU 20 15.396 6.457 4.637 160 HD23 LEU 20 2HD2 LEU 20 16.660 7.398 3.844 161 HA PRO 21 HA PRO 21 8.596 7.928 3.059 162 HB2 PRO 21 2HB PRO 21 7.109 8.725 5.187 163 HB3 PRO 21 3HB PRO 21 7.417 7.025 4.812 164 HG2 PRO 21 2HG PRO 21 8.770 8.800 6.808 165 HG3 PRO 21 3HG PRO 21 8.240 7.117 6.985 166 HD2 PRO 21 2HD PRO 21 10.818 7.790 6.500 167 HD3 PRO 21 3HD PRO 21 10.093 6.287 5.894 168 H VAL 22 H VAL 22 6.984 9.875 3.194 169 HA VAL 22 HA VAL 22 8.058 12.138 2.243 170 HB VAL 22 HB VAL 22 5.661 11.869 2.350 171 HG11 VAL 22 1HG1 VAL 22 5.788 12.462 5.299 172 HG12 VAL 22 2HG1 VAL 22 4.380 11.986 4.346 173 HG13 VAL 22 3HG1 VAL 22 5.679 10.829 4.642 174 HG21 VAL 22 3HG2 VAL 22 5.116 14.090 2.549 175 HG22 VAL 22 1HG2 VAL 22 6.075 14.306 4.013 176 HG23 VAL 22 2HG2 VAL 22 6.872 14.200 2.443 177 H GLY 23 H GLY 23 9.512 13.562 2.919 178 HA2 GLY 23 2HA GLY 23 9.577 15.189 5.022 179 HA3 GLY 23 3HA GLY 23 10.172 13.706 5.754 180 H ASP 24 H ASP 24 11.735 15.948 5.762 181 HA ASP 24 HA ASP 24 13.748 15.411 3.680 182 HB2 ASP 24 2HB ASP 24 14.581 17.756 4.681 183 HB3 ASP 24 3HB ASP 24 13.406 17.644 3.373 184 H TYR 25 H TYR 25 15.864 15.034 4.246 185 HA TYR 25 HA TYR 25 16.453 14.840 7.123 186 HB2 TYR 25 2HB TYR 25 17.503 12.848 5.125 187 HB3 TYR 25 3HB TYR 25 17.462 12.721 6.880 188 HD1 TYR 25 HD2 TYR 25 15.254 12.837 3.888 189 HD2 TYR 25 HD1 TYR 25 15.693 11.624 7.942 190 HE1 TYR 25 HE2 TYR 25 13.129 11.607 3.744 191 HE2 TYR 25 HE1 TYR 25 13.570 10.389 7.809 192 HH TYR 25 HH TYR 25 11.907 9.722 6.493 193 H ASN 26 H ASN 26 18.662 15.078 7.705 194 HA ASN 26 HA ASN 26 20.229 16.541 5.689 195 HB2 ASN 26 2HB ASN 26 20.642 16.678 8.674 196 HB3 ASN 26 3HB ASN 26 21.215 17.800 7.444 197 HD21 ASN 26 1HD2 ASN 26 19.689 18.388 9.806 198 HD22 ASN 26 2HD2 ASN 26 18.208 19.105 9.279 199 H LEU 27 H LEU 27 22.699 16.526 6.822 200 HA LEU 27 HA LEU 27 23.728 14.025 6.050 201 HB2 LEU 27 2HB LEU 27 25.174 15.847 5.838 202 HB3 LEU 27 3HB LEU 27 24.878 16.388 7.489 203 HG LEU 27 HG LEU 27 26.209 13.759 7.129 204 HD11 LEU 27 1HD1 LEU 27 28.406 14.892 6.932 205 HD12 LEU 27 2HD1 LEU 27 27.557 16.403 6.611 206 HD13 LEU 27 3HD1 LEU 27 27.399 15.049 5.493 207 HD21 LEU 27 3HD2 LEU 27 27.559 14.869 9.047 208 HD22 LEU 27 1HD2 LEU 27 25.915 14.309 9.356 209 HD23 LEU 27 2HD2 LEU 27 26.225 16.023 9.083 210 H SER 28 H SER 28 23.181 15.452 9.250 211 HA SER 28 HA SER 28 24.249 13.275 10.716 212 HB2 SER 28 2HB SER 28 22.975 15.801 11.294 213 HB3 SER 28 3HB SER 28 22.321 14.535 12.332 214 HG SER 28 HG SER 28 24.900 15.578 12.196 215 H SER 29 H SER 29 21.137 13.922 9.303 216 HA SER 29 HA SER 29 19.675 11.978 10.788 217 HB2 SER 29 2HB SER 29 18.610 13.892 9.608 218 HB3 SER 29 3HB SER 29 19.035 13.145 8.068 219 HG SER 29 HG SER 29 17.736 11.363 8.660 220 H LEU 30 H LEU 30 21.591 11.915 7.869 221 HA LEU 30 HA LEU 30 20.689 9.495 6.780 222 HB2 LEU 30 2HB LEU 30 23.349 10.891 6.642 223 HB3 LEU 30 3HB LEU 30 22.997 9.416 5.743 224 HG LEU 30 HG LEU 30 21.367 11.926 5.432 225 HD11 LEU 30 1HD1 LEU 30 23.660 11.076 3.678 226 HD12 LEU 30 2HD1 LEU 30 23.791 12.314 4.927 227 HD13 LEU 30 3HD1 LEU 30 22.698 12.550 3.564 228 HD21 LEU 30 3HD2 LEU 30 21.612 10.232 3.129 229 HD22 LEU 30 1HD2 LEU 30 20.164 10.719 4.011 230 HD23 LEU 30 2HD2 LEU 30 21.066 9.291 4.519 231 H ILE 31 H ILE 31 23.321 10.165 9.066 232 HA ILE 31 HA ILE 31 24.204 7.497 9.315 233 HB ILE 31 HB ILE 31 24.426 9.761 11.303 234 HG12 ILE 31 2HG1 ILE 31 26.906 9.288 10.140 235 HG13 ILE 31 3HG1 ILE 31 25.780 9.149 8.795 236 HG21 ILE 31 1HG2 ILE 31 24.919 7.924 12.594 237 HG22 ILE 31 2HG2 ILE 31 25.555 7.003 11.232 238 HG23 ILE 31 3HG2 ILE 31 26.509 8.308 11.934 239 HD11 ILE 31 3HD1 ILE 31 26.744 11.492 10.139 240 HD12 ILE 31 1HD1 ILE 31 25.821 11.353 8.643 241 HD13 ILE 31 2HD1 ILE 31 24.982 11.425 10.193 242 H SER 32 H SER 32 21.602 9.272 10.797 243 HA SER 32 HA SER 32 21.120 7.773 13.077 244 HB2 SER 32 2HB SER 32 19.890 9.883 11.940 245 HB3 SER 32 3HB SER 32 18.736 8.616 11.523 246 HG SER 32 HG SER 32 18.757 9.851 13.735 247 H ARG 33 H ARG 33 20.575 6.978 9.743 248 HA ARG 33 HA ARG 33 19.037 4.596 10.479 249 HB2 ARG 33 2HB ARG 33 19.409 6.158 7.967 250 HB3 ARG 33 3HB ARG 33 19.050 4.442 7.828 251 HG2 ARG 33 2HG ARG 33 16.905 4.778 8.273 252 HG3 ARG 33 3HG ARG 33 17.286 5.717 9.718 253 HD2 ARG 33 2HD ARG 33 17.360 7.726 8.541 254 HD3 ARG 33 3HD ARG 33 17.570 6.917 6.989 255 HE ARG 33 HE ARG 33 15.302 6.824 6.800 256 HH11 ARG 33 1HH1 ARG 33 16.117 7.244 10.158 257 HH12 ARG 33 2HH1 ARG 33 14.471 7.414 10.671 258 HH21 ARG 33 1HH2 ARG 33 13.131 7.046 7.463 259 HH22 ARG 33 2HH2 ARG 33 12.773 7.301 9.137 260 H GLY 34 H GLY 34 22.177 5.600 9.520 261 HA2 GLY 34 2HA GLY 34 23.970 3.986 9.965 262 HA3 GLY 34 3HA GLY 34 22.956 2.767 9.208 263 H ALA 35 H ALA 35 23.634 6.062 8.101 264 HA ALA 35 HA ALA 35 25.392 5.103 6.009 265 HB1 ALA 35 1HB ALA 35 22.631 6.131 5.431 266 HB2 ALA 35 2HB ALA 35 23.931 6.229 4.243 267 HB3 ALA 35 3HB ALA 35 23.407 4.658 4.847 268 H LEU 36 H LEU 36 26.472 6.803 4.881 269 HA LEU 36 HA LEU 36 26.462 9.330 6.381 270 HB2 LEU 36 2HB LEU 36 28.714 9.611 5.168 271 HB3 LEU 36 3HB LEU 36 28.605 8.473 6.509 272 HG LEU 36 HG LEU 36 28.238 7.444 3.738 273 HD11 LEU 36 1HD1 LEU 36 30.210 8.893 3.586 274 HD12 LEU 36 2HD1 LEU 36 30.632 7.187 3.448 275 HD13 LEU 36 3HD1 LEU 36 30.927 8.049 4.958 276 HD21 LEU 36 3HD2 LEU 36 28.466 5.475 4.748 277 HD22 LEU 36 1HD2 LEU 36 28.373 6.341 6.281 278 HD23 LEU 36 2HD2 LEU 36 29.944 5.985 5.563 279 H ASN 37 H ASN 37 27.440 11.168 4.853 280 HA ASN 37 HA ASN 37 25.406 11.715 2.948 281 HB2 ASN 37 2HB ASN 37 26.799 13.740 2.434 282 HB3 ASN 37 3HB ASN 37 26.397 13.552 4.138 283 HD21 ASN 37 1HD2 ASN 37 28.830 14.147 1.969 284 HD22 ASN 37 2HD2 ASN 37 30.190 13.836 2.989 285 H ASP 38 H ASP 38 28.883 11.033 2.618 286 HA ASP 38 HA ASP 38 28.510 10.662 -0.264 287 HB2 ASP 38 2HB ASP 38 31.009 10.605 -0.327 288 HB3 ASP 38 3HB ASP 38 30.349 12.111 0.305 289 H ASP 39 H ASP 39 27.552 8.654 -0.383 290 HA ASP 39 HA ASP 39 29.254 6.409 -0.358 291 HB2 ASP 39 2HB ASP 39 29.064 6.417 2.030 292 HB3 ASP 39 3HB ASP 39 27.319 6.638 1.949 293 H LEU 40 H LEU 40 25.921 7.558 -0.138 294 HA LEU 40 HA LEU 40 24.560 5.393 -1.171 295 HB2 LEU 40 2HB LEU 40 24.125 8.321 -1.151 296 HB3 LEU 40 3HB LEU 40 23.153 7.379 -2.280 297 HG LEU 40 HG LEU 40 22.225 6.087 -0.451 298 HD11 LEU 40 1HD1 LEU 40 22.841 7.267 1.892 299 HD12 LEU 40 2HD1 LEU 40 24.387 7.399 1.055 300 HD13 LEU 40 3HD1 LEU 40 23.638 5.818 1.280 301 HD21 LEU 40 3HD2 LEU 40 20.933 7.977 -0.921 302 HD22 LEU 40 1HD2 LEU 40 22.117 9.076 -0.214 303 HD23 LEU 40 2HD2 LEU 40 21.153 8.029 0.828 304 H SER 41 H SER 41 24.731 4.315 -3.011 305 HA SER 41 HA SER 41 25.770 5.728 -5.379 306 HB2 SER 41 2HB SER 41 26.924 3.577 -4.143 307 HB3 SER 41 3HB SER 41 25.951 2.789 -5.385 308 HG SER 41 HG SER 41 26.965 4.291 -6.887 309 H SER 42 H SER 42 23.192 3.925 -4.040 310 HA SER 42 HA SER 42 21.715 4.147 -6.537 311 HB2 SER 42 2HB SER 42 22.666 1.602 -5.421 312 HB3 SER 42 3HB SER 42 20.935 1.632 -5.757 313 HG SER 42 HG SER 42 21.433 1.407 -7.773 314 H ALA 43 H ALA 43 19.374 3.475 -6.184 315 HA ALA 43 HA ALA 43 18.244 3.268 -3.633 316 HB1 ALA 43 1HB ALA 43 18.506 6.073 -4.677 317 HB2 ALA 43 2HB ALA 43 17.267 5.608 -3.510 318 HB3 ALA 43 3HB ALA 43 18.974 5.440 -3.098 319 H ARG 44 H ARG 44 16.349 2.343 -4.015 320 HA ARG 44 HA ARG 44 15.019 2.845 -6.579 321 HB2 ARG 44 2HB ARG 44 15.555 0.503 -5.984 322 HB3 ARG 44 3HB ARG 44 14.534 0.649 -4.559 323 HG2 ARG 44 2HG ARG 44 13.195 1.372 -7.053 324 HG3 ARG 44 3HG ARG 44 13.736 -0.306 -6.981 325 HD2 ARG 44 2HD ARG 44 12.555 -0.617 -4.879 326 HD3 ARG 44 3HD ARG 44 12.059 1.075 -4.889 327 HE ARG 44 HE ARG 44 11.191 -0.147 -7.262 328 HH11 ARG 44 1HH1 ARG 44 10.556 -0.184 -3.840 329 HH12 ARG 44 2HH1 ARG 44 8.894 -0.642 -4.021 330 HH21 ARG 44 1HH2 ARG 44 9.005 -0.750 -7.514 331 HH22 ARG 44 2HH2 ARG 44 8.014 -0.965 -6.111 332 H VAL 45 H VAL 45 12.922 3.549 -6.725 333 HA VAL 45 HA VAL 45 11.553 4.226 -4.209 334 HB VAL 45 HB VAL 45 10.844 6.354 -5.086 335 HG11 VAL 45 1HG1 VAL 45 12.718 7.160 -4.211 336 HG12 VAL 45 2HG1 VAL 45 13.582 5.674 -4.607 337 HG13 VAL 45 3HG1 VAL 45 13.496 6.986 -5.783 338 HG21 VAL 45 3HG2 VAL 45 11.975 5.285 -7.605 339 HG22 VAL 45 1HG2 VAL 45 10.548 6.287 -7.335 340 HG23 VAL 45 2HG2 VAL 45 12.154 7.016 -7.317 341 HA PRO 46 HA PRO 46 7.990 2.355 -5.971 342 HB2 PRO 46 2HB PRO 46 6.026 3.768 -4.740 343 HB3 PRO 46 3HB PRO 46 7.016 2.568 -3.901 344 HG2 PRO 46 2HG PRO 46 7.280 5.549 -3.938 345 HG3 PRO 46 3HG PRO 46 7.422 4.430 -2.570 346 HD2 PRO 46 2HD PRO 46 9.580 5.469 -3.832 347 HD3 PRO 46 3HD PRO 46 9.586 3.848 -3.108 348 H SER 47 H SER 47 5.828 2.970 -7.016 349 HA SER 47 HA SER 47 6.389 4.832 -9.137 350 HB2 SER 47 2HB SER 47 3.768 3.411 -8.666 351 HB3 SER 47 3HB SER 47 4.434 3.990 -10.192 352 HG SER 47 HG SER 47 5.059 1.971 -10.324 353 H GLY 48 H GLY 48 6.088 6.944 -8.913 354 HA2 GLY 48 2HA GLY 48 4.622 8.812 -8.748 355 HA3 GLY 48 3HA GLY 48 3.606 7.881 -7.657 356 H LEU 49 H LEU 49 7.107 8.260 -7.442 357 HA LEU 49 HA LEU 49 6.714 9.797 -4.959 358 HB2 LEU 49 2HB LEU 49 7.386 7.593 -4.343 359 HB3 LEU 49 3HB LEU 49 8.674 7.590 -5.547 360 HG LEU 49 HG LEU 49 8.806 9.642 -3.406 361 HD11 LEU 49 1HD1 LEU 49 8.991 8.257 -1.683 362 HD12 LEU 49 2HD1 LEU 49 10.116 7.222 -2.562 363 HD13 LEU 49 3HD1 LEU 49 8.378 6.971 -2.722 364 HD21 LEU 49 3HD2 LEU 49 10.723 9.882 -4.527 365 HD22 LEU 49 1HD2 LEU 49 10.555 8.318 -5.323 366 HD23 LEU 49 2HD2 LEU 49 11.245 8.413 -3.702 367 H ARG 50 H ARG 50 7.873 11.621 -4.739 368 HA ARG 50 HA ARG 50 9.956 12.164 -6.752 369 HB2 ARG 50 2HB ARG 50 7.720 13.467 -6.864 370 HB3 ARG 50 3HB ARG 50 8.320 14.321 -5.449 371 HG2 ARG 50 2HG ARG 50 9.711 15.569 -6.660 372 HG3 ARG 50 3HG ARG 50 10.272 14.186 -7.601 373 HD2 ARG 50 2HD ARG 50 8.102 14.321 -8.876 374 HD3 ARG 50 3HD ARG 50 7.808 15.855 -8.058 375 HE ARG 50 HE ARG 50 9.613 15.375 -10.231 376 HH11 ARG 50 1HH1 ARG 50 8.970 17.388 -7.465 377 HH12 ARG 50 2HH1 ARG 50 9.853 18.744 -8.083 378 HH21 ARG 50 1HH2 ARG 50 10.778 17.154 -11.056 379 HH22 ARG 50 2HH2 ARG 50 10.880 18.610 -10.126 380 H LEU 51 H LEU 51 11.898 12.828 -6.039 381 HA LEU 51 HA LEU 51 12.188 13.898 -3.348 382 HB2 LEU 51 2HB LEU 51 13.962 12.307 -2.773 383 HB3 LEU 51 3HB LEU 51 12.398 11.523 -2.983 384 HG LEU 51 HG LEU 51 13.389 11.136 -5.434 385 HD11 LEU 51 1HD1 LEU 51 15.488 12.125 -5.265 386 HD12 LEU 51 2HD1 LEU 51 15.817 10.411 -5.011 387 HD13 LEU 51 3HD1 LEU 51 15.754 11.510 -3.634 388 HD21 LEU 51 3HD2 LEU 51 12.998 9.612 -3.090 389 HD22 LEU 51 1HD2 LEU 51 14.542 9.115 -3.784 390 HD23 LEU 51 2HD2 LEU 51 13.073 9.047 -4.760 391 H GLU 52 H GLU 52 14.255 14.895 -2.974 392 HA GLU 52 HA GLU 52 15.815 15.395 -5.417 393 HB2 GLU 52 2HB GLU 52 14.805 17.424 -3.425 394 HB3 GLU 52 3HB GLU 52 16.090 17.768 -4.575 395 HG2 GLU 52 2HG GLU 52 14.678 17.754 -6.376 396 HG3 GLU 52 3HG GLU 52 13.509 16.693 -5.589 397 H VAL 53 H VAL 53 17.994 15.455 -5.178 398 HA VAL 53 HA VAL 53 19.035 14.731 -2.542 399 HB VAL 53 HB VAL 53 20.473 14.718 -5.198 400 HG11 VAL 53 1HG1 VAL 53 21.972 14.857 -3.292 401 HG12 VAL 53 2HG1 VAL 53 21.170 13.478 -2.538 402 HG13 VAL 53 3HG1 VAL 53 22.074 13.262 -4.037 403 HG21 VAL 53 3HG2 VAL 53 20.083 12.329 -5.256 404 HG22 VAL 53 1HG2 VAL 53 19.208 12.409 -3.726 405 HG23 VAL 53 2HG2 VAL 53 18.541 13.180 -5.165 406 H PHE 54 H PHE 54 20.522 15.922 -1.437 407 HA PHE 54 HA PHE 54 21.414 18.449 -2.648 408 HB2 PHE 54 2HB PHE 54 20.632 18.253 0.253 409 HB3 PHE 54 3HB PHE 54 20.876 19.700 -0.720 410 HD1 PHE 54 HD1 PHE 54 19.281 19.310 -3.058 411 HD2 PHE 54 HD2 PHE 54 18.451 18.182 0.961 412 HE1 PHE 54 HE1 PHE 54 16.869 19.397 -3.535 413 HE2 PHE 54 HE2 PHE 54 16.038 18.266 0.490 414 HZ PHE 54 HZ PHE 54 15.244 18.873 -1.760 415 H GLN 55 H GLN 55 23.541 18.159 -2.880 416 HA GLN 55 HA GLN 55 25.194 16.446 -1.490 417 HB2 GLN 55 2HB GLN 55 25.673 17.824 -3.606 418 HB3 GLN 55 3HB GLN 55 26.155 19.111 -2.508 419 HG2 GLN 55 2HG GLN 55 27.409 16.594 -1.830 420 HG3 GLN 55 3HG GLN 55 27.753 17.079 -3.490 421 HE21 GLN 55 1HE2 GLN 55 28.307 17.698 -0.164 422 HE22 GLN 55 2HE2 GLN 55 29.438 18.989 -0.362 423 H HIS 56 H HIS 56 24.243 19.734 -0.682 424 HA HIS 56 HA HIS 56 25.848 19.589 1.775 425 HB2 HIS 56 2HB HIS 56 24.703 21.874 0.197 426 HB3 HIS 56 3HB HIS 56 25.133 22.090 1.891 427 HD1 HIS 56 HD1 HIS 56 27.572 22.411 2.433 428 HD2 HIS 56 HD2 HIS 56 26.937 21.261 -1.509 429 HE1 HIS 56 HE1 HIS 56 29.801 22.653 1.295 430 H ASN 57 H ASN 57 24.753 20.811 3.668 431 HA ASN 57 HA ASN 57 22.005 19.780 3.903 432 HB2 ASN 57 2HB ASN 57 22.392 19.612 6.303 433 HB3 ASN 57 3HB ASN 57 23.648 18.737 5.431 434 HD21 ASN 57 1HD2 ASN 57 24.013 19.476 8.030 435 HD22 ASN 57 2HD2 ASN 57 25.215 20.713 8.124 436 H ASN 58 H ASN 58 22.464 22.269 2.694 437 HA ASN 58 HA ASN 58 20.958 23.970 4.503 438 HB2 ASN 58 2HB ASN 58 23.767 24.485 3.718 439 HB3 ASN 58 3HB ASN 58 22.672 25.860 3.605 440 HD21 ASN 58 1HD2 ASN 58 21.414 26.374 5.538 441 HD22 ASN 58 2HD2 ASN 58 22.132 26.107 7.087 442 H PHE 59 H PHE 59 20.808 22.532 1.812 443 HA PHE 59 HA PHE 59 19.951 22.873 -0.273 444 HB2 PHE 59 2HB PHE 59 18.572 24.912 1.434 445 HB3 PHE 59 3HB PHE 59 18.270 24.889 -0.300 446 HD1 PHE 59 HD2 PHE 59 17.884 23.051 2.845 447 HD2 PHE 59 HD1 PHE 59 17.031 23.109 -1.325 448 HE1 PHE 59 HE2 PHE 59 16.231 21.257 3.162 449 HE2 PHE 59 HE1 PHE 59 15.376 21.315 -1.015 450 HZ PHE 59 HZ PHE 59 14.975 20.385 1.231 451 H LYS 60 H LYS 60 22.508 24.126 0.308 452 HA LYS 60 HA LYS 60 22.407 26.569 -1.308 453 HB2 LYS 60 2HB LYS 60 24.707 26.945 -0.550 454 HB3 LYS 60 3HB LYS 60 23.618 26.716 0.811 455 HG2 LYS 60 2HG LYS 60 25.238 25.339 1.530 456 HG3 LYS 60 3HG LYS 60 24.455 24.184 0.449 457 HD2 LYS 60 2HD LYS 60 26.375 23.996 -0.657 458 HD3 LYS 60 3HD LYS 60 26.215 25.684 -1.147 459 HE2 LYS 60 2HE LYS 60 27.386 26.385 0.879 460 HE3 LYS 60 3HE LYS 60 27.530 24.702 1.385 461 HZ1 LYS 60 3HZ LYS 60 29.518 24.901 0.374 462 HZ2 LYS 60 1HZ LYS 60 29.023 26.166 -0.635 463 HZ3 LYS 60 2HZ LYS 60 28.625 24.569 -1.024 464 H GLY 61 H GLY 61 23.865 23.354 -1.212 465 HA2 GLY 61 2HA GLY 61 25.384 23.723 -3.616 466 HA3 GLY 61 3HA GLY 61 25.103 22.201 -2.783 467 H VAL 62 H VAL 62 25.106 22.297 -5.524 468 HA VAL 62 HA VAL 62 22.732 22.769 -6.848 469 HB VAL 62 HB VAL 62 24.722 22.153 -8.067 470 HG11 VAL 62 1HG1 VAL 62 26.036 20.478 -7.440 471 HG12 VAL 62 2HG1 VAL 62 24.885 20.072 -6.166 472 HG13 VAL 62 3HG1 VAL 62 24.748 19.316 -7.754 473 HG21 VAL 62 3HG2 VAL 62 23.772 20.676 -9.691 474 HG22 VAL 62 1HG2 VAL 62 22.660 19.999 -8.501 475 HG23 VAL 62 2HG2 VAL 62 22.469 21.668 -9.037 476 H ARG 63 H ARG 63 20.747 22.005 -6.601 477 HA ARG 63 HA ARG 63 20.323 19.574 -5.049 478 HB2 ARG 63 2HB ARG 63 17.995 20.257 -4.944 479 HB3 ARG 63 3HB ARG 63 19.034 21.603 -4.496 480 HG2 ARG 63 2HG ARG 63 18.768 22.542 -6.747 481 HG3 ARG 63 3HG ARG 63 17.692 21.206 -7.161 482 HD2 ARG 63 2HD ARG 63 16.116 21.899 -5.465 483 HD3 ARG 63 3HD ARG 63 17.216 23.166 -4.920 484 HE ARG 63 HE ARG 63 16.820 23.756 -7.535 485 HH11 ARG 63 1HH1 ARG 63 14.685 23.157 -4.851 486 HH12 ARG 63 2HH1 ARG 63 13.431 24.193 -5.448 487 HH21 ARG 63 1HH2 ARG 63 15.176 25.122 -8.332 488 HH22 ARG 63 2HH2 ARG 63 13.711 25.310 -7.428 489 H ASP 64 H ASP 64 19.703 17.684 -5.891 490 HA ASP 64 HA ASP 64 19.145 17.589 -8.775 491 HB2 ASP 64 2HB ASP 64 21.038 16.224 -7.456 492 HB3 ASP 64 3HB ASP 64 19.701 15.096 -7.257 493 H PHE 65 H PHE 65 17.798 15.458 -9.275 494 HA PHE 65 HA PHE 65 15.599 15.138 -7.387 495 HB2 PHE 65 2HB PHE 65 13.939 15.491 -9.255 496 HB3 PHE 65 3HB PHE 65 14.764 16.947 -8.707 497 HD1 PHE 65 HD2 PHE 65 14.568 14.446 -11.401 498 HD2 PHE 65 HD1 PHE 65 16.176 18.184 -10.155 499 HE1 PHE 65 HE2 PHE 65 15.279 14.906 -13.711 500 HE2 PHE 65 HE1 PHE 65 16.889 18.651 -12.463 501 HZ PHE 65 HZ PHE 65 16.442 17.010 -14.244 502 H TYR 66 H TYR 66 14.409 13.232 -7.662 503 HA TYR 66 HA TYR 66 15.179 11.422 -9.813 504 HB2 TYR 66 2HB TYR 66 16.182 11.204 -7.120 505 HB3 TYR 66 3HB TYR 66 15.185 9.806 -7.506 506 HD1 TYR 66 HD1 TYR 66 15.688 9.116 -10.186 507 HD2 TYR 66 HD2 TYR 66 18.423 10.747 -7.364 508 HE1 TYR 66 HE1 TYR 66 17.560 8.121 -11.434 509 HE2 TYR 66 HE2 TYR 66 20.302 9.757 -8.605 510 HH TYR 66 HH TYR 66 20.154 7.388 -10.584 511 H THR 67 H THR 67 13.531 10.179 -10.483 512 HA THR 67 HA THR 67 11.229 9.774 -8.716 513 HB THR 67 HB THR 67 10.689 11.751 -10.075 514 HG1 THR 67 HG1 THR 67 8.779 10.860 -9.887 515 HG21 THR 67 3HG2 THR 67 12.143 10.710 -12.045 516 HG22 THR 67 1HG2 THR 67 10.839 11.856 -12.352 517 HG23 THR 67 2HG2 THR 67 10.561 10.127 -12.560 518 H SER 68 H SER 68 13.272 7.957 -9.510 519 HA SER 68 HA SER 68 11.688 5.777 -10.370 520 HB2 SER 68 2HB SER 68 12.595 5.326 -12.539 521 HB3 SER 68 3HB SER 68 12.053 7.004 -12.555 522 HG SER 68 HG SER 68 14.047 7.137 -13.374 523 H ASP 69 H ASP 69 13.532 4.023 -11.314 524 HA ASP 69 HA ASP 69 14.944 3.279 -9.009 525 HB2 ASP 69 2HB ASP 69 15.686 2.354 -11.776 526 HB3 ASP 69 3HB ASP 69 15.777 1.460 -10.261 527 H ALA 70 H ALA 70 16.344 4.805 -8.241 528 HA ALA 70 HA ALA 70 18.215 6.185 -9.898 529 HB1 ALA 70 1HB ALA 70 18.433 5.900 -6.917 530 HB2 ALA 70 2HB ALA 70 18.972 7.232 -7.940 531 HB3 ALA 70 3HB ALA 70 17.249 6.966 -7.673 532 H ALA 71 H ALA 71 19.538 4.779 -10.985 533 HA ALA 71 HA ALA 71 20.883 2.616 -9.648 534 HB1 ALA 71 1HB ALA 71 20.907 1.874 -11.740 535 HB2 ALA 71 2HB ALA 71 20.451 3.460 -12.362 536 HB3 ALA 71 3HB ALA 71 22.151 3.073 -12.098 537 H GLU 72 H GLU 72 21.542 5.941 -10.328 538 HA GLU 72 HA GLU 72 24.090 5.710 -8.930 539 HB2 GLU 72 2HB GLU 72 24.113 5.788 -11.659 540 HB3 GLU 72 3HB GLU 72 24.221 7.498 -11.264 541 HG2 GLU 72 2HG GLU 72 26.026 6.111 -9.583 542 HG3 GLU 72 3HG GLU 72 26.263 5.531 -11.231 543 H LEU 73 H LEU 73 24.074 7.156 -7.353 544 HA LEU 73 HA LEU 73 22.159 9.096 -6.935 545 HB2 LEU 73 2HB LEU 73 24.815 8.484 -5.838 546 HB3 LEU 73 3HB LEU 73 24.288 10.152 -5.620 547 HG LEU 73 HG LEU 73 23.809 8.614 -3.700 548 HD11 LEU 73 1HD1 LEU 73 22.283 10.657 -4.807 549 HD12 LEU 73 2HD1 LEU 73 22.194 10.037 -3.158 550 HD13 LEU 73 3HD1 LEU 73 21.121 9.394 -4.401 551 HD21 LEU 73 3HD2 LEU 73 21.834 7.438 -5.653 552 HD22 LEU 73 1HD2 LEU 73 21.879 7.109 -3.921 553 HD23 LEU 73 2HD2 LEU 73 23.226 6.617 -4.948 554 H SER 74 H SER 74 22.335 11.443 -6.927 555 HA SER 74 HA SER 74 22.877 12.535 -9.400 556 HB2 SER 74 2HB SER 74 22.704 14.732 -8.322 557 HB3 SER 74 3HB SER 74 21.476 13.633 -7.694 558 HG SER 74 HG SER 74 22.502 14.757 -6.007 559 H ARG 75 H ARG 75 25.027 12.036 -6.700 560 HA ARG 75 HA ARG 75 27.289 12.742 -8.390 561 HB2 ARG 75 2HB ARG 75 26.447 14.257 -5.984 562 HB3 ARG 75 3HB ARG 75 28.165 13.912 -6.130 563 HG2 ARG 75 2HG ARG 75 28.289 15.746 -7.374 564 HG3 ARG 75 3HG ARG 75 27.482 14.820 -8.641 565 HD2 ARG 75 2HD ARG 75 25.309 15.552 -7.399 566 HD3 ARG 75 3HD ARG 75 26.344 16.811 -6.725 567 HE ARG 75 HE ARG 75 25.361 16.633 -9.419 568 HH11 ARG 75 1HH1 ARG 75 27.865 17.911 -7.365 569 HH12 ARG 75 2HH1 ARG 75 28.259 19.215 -8.436 570 HH21 ARG 75 1HH2 ARG 75 25.870 18.345 -10.837 571 HH22 ARG 75 2HH2 ARG 75 27.123 19.461 -10.411 572 H ASP 76 H ASP 76 28.941 11.372 -8.117 573 HA ASP 76 HA ASP 76 28.737 9.047 -6.630 574 HB2 ASP 76 2HB ASP 76 30.506 10.022 -8.484 575 HB3 ASP 76 3HB ASP 76 31.500 9.964 -7.031 576 H ASN 77 H ASN 77 28.609 8.829 -4.502 577 HA ASN 77 HA ASN 77 28.881 9.184 -2.266 578 HB2 ASN 77 2HB ASN 77 31.706 10.036 -2.790 579 HB3 ASN 77 3HB ASN 77 31.073 9.001 -1.513 580 HD21 ASN 77 1HD2 ASN 77 30.076 6.921 -2.340 581 HD22 ASN 77 2HD2 ASN 77 30.956 6.090 -3.573 582 H ASP 78 H ASP 78 27.472 11.125 -2.645 583 HA ASP 78 HA ASP 78 28.464 13.323 -1.180 584 HB2 ASP 78 2HB ASP 78 28.985 13.424 -3.985 585 HB3 ASP 78 3HB ASP 78 27.770 14.642 -3.606 586 H ALA 79 H ALA 79 26.679 13.518 0.016 587 HA ALA 79 HA ALA 79 24.348 14.712 -0.975 588 HB1 ALA 79 1HB ALA 79 22.776 12.762 -0.561 589 HB2 ALA 79 2HB ALA 79 23.737 12.703 -2.039 590 HB3 ALA 79 3HB ALA 79 24.203 11.728 -0.645 591 H SER 80 H SER 80 24.959 15.938 0.894 592 HA SER 80 HA SER 80 25.008 14.840 3.504 593 HB2 SER 80 2HB SER 80 24.732 17.648 2.446 594 HB3 SER 80 3HB SER 80 24.670 17.303 4.174 595 HG SER 80 HG SER 80 26.743 16.411 4.017 596 H SER 81 H SER 81 22.565 16.931 1.956 597 HA SER 81 HA SER 81 20.555 15.738 3.751 598 HB2 SER 81 2HB SER 81 20.641 18.016 4.327 599 HB3 SER 81 3HB SER 81 20.832 18.526 2.650 600 HG SER 81 HG SER 81 18.591 18.297 4.040 601 H VAL 82 H VAL 82 18.407 15.460 2.889 602 HA VAL 82 HA VAL 82 18.066 15.585 0.010 603 HB VAL 82 HB VAL 82 17.339 13.173 -0.088 604 HG11 VAL 82 1HG1 VAL 82 19.408 12.502 -0.796 605 HG12 VAL 82 2HG1 VAL 82 19.668 14.245 -0.712 606 HG13 VAL 82 3HG1 VAL 82 20.234 13.203 0.594 607 HG21 VAL 82 3HG2 VAL 82 19.075 12.573 2.237 608 HG22 VAL 82 1HG2 VAL 82 17.452 13.174 2.576 609 HG23 VAL 82 2HG2 VAL 82 17.668 11.708 1.619 610 H ARG 83 H ARG 83 15.869 15.175 -0.662 611 HA ARG 83 HA ARG 83 13.911 15.298 1.533 612 HB2 ARG 83 2HB ARG 83 14.191 17.541 0.614 613 HB3 ARG 83 3HB ARG 83 13.896 16.934 -1.009 614 HG2 ARG 83 2HG ARG 83 11.646 16.107 0.187 615 HG3 ARG 83 3HG ARG 83 12.001 17.530 1.168 616 HD2 ARG 83 2HD ARG 83 12.322 18.738 -1.079 617 HD3 ARG 83 3HD ARG 83 11.485 17.355 -1.782 618 HE ARG 83 HE ARG 83 10.081 18.532 0.426 619 HH11 ARG 83 1HH1 ARG 83 10.666 18.708 -3.001 620 HH12 ARG 83 2HH1 ARG 83 9.167 19.505 -3.348 621 HH21 ARG 83 1HH2 ARG 83 8.105 19.580 -0.018 622 HH22 ARG 83 2HH2 ARG 83 7.711 20.001 -1.650 623 H VAL 84 H VAL 84 12.297 13.877 1.381 624 HA VAL 84 HA VAL 84 11.771 12.631 -1.238 625 HB VAL 84 HB VAL 84 11.446 10.494 -0.226 626 HG11 VAL 84 1HG1 VAL 84 13.781 11.196 -0.711 627 HG12 VAL 84 2HG1 VAL 84 13.950 11.660 0.983 628 HG13 VAL 84 3HG1 VAL 84 13.657 9.974 0.554 629 HG21 VAL 84 3HG2 VAL 84 12.163 10.516 2.381 630 HG22 VAL 84 1HG2 VAL 84 11.341 12.072 2.256 631 HG23 VAL 84 2HG2 VAL 84 10.494 10.589 1.816 632 H SER 85 H SER 85 9.674 12.385 -1.819 633 HA SER 85 HA SER 85 7.536 12.588 0.109 634 HB2 SER 85 2HB SER 85 7.806 14.711 -2.033 635 HB3 SER 85 3HB SER 85 6.473 14.549 -0.890 636 HG SER 85 HG SER 85 8.982 15.612 -0.534 637 H LYS 86 H LYS 86 5.377 12.404 -0.973 638 HA LYS 86 HA LYS 86 5.598 10.511 -3.190 639 HB2 LYS 86 2HB LYS 86 3.163 11.180 -1.530 640 HB3 LYS 86 3HB LYS 86 3.361 9.810 -2.616 641 HG2 LYS 86 2HG LYS 86 5.467 9.756 -0.704 642 HG3 LYS 86 3HG LYS 86 3.933 9.962 0.145 643 HD2 LYS 86 2HD LYS 86 4.381 7.865 -1.970 644 HD3 LYS 86 3HD LYS 86 4.655 7.577 -0.250 645 HE2 LYS 86 2HE LYS 86 2.041 8.684 -1.190 646 HE3 LYS 86 3HE LYS 86 2.365 6.956 -1.323 647 HZ1 LYS 86 3HZ LYS 86 1.539 8.385 0.930 648 HZ2 LYS 86 1HZ LYS 86 3.098 7.808 1.244 649 HZ3 LYS 86 2HZ LYS 86 1.870 6.730 0.807 650 H MET 87 H MET 87 5.275 11.186 -5.196 651 HA MET 87 HA MET 87 4.207 13.769 -5.779 652 HB2 MET 87 2HB MET 87 5.977 12.448 -7.096 653 HB3 MET 87 3HB MET 87 4.621 11.575 -7.797 654 HG2 MET 87 2HG MET 87 4.225 14.434 -7.922 655 HG3 MET 87 3HG MET 87 5.727 13.945 -8.702 656 HE1 MET 87 3HE MET 87 5.201 11.517 -10.993 657 HE2 MET 87 1HE MET 87 4.973 13.007 -11.909 658 HE3 MET 87 2HE MET 87 6.089 12.974 -10.544 659 H GLU 88 H GLU 88 3.120 10.528 -6.816 660 HA GLU 88 HA GLU 88 0.659 11.276 -7.834 661 HB2 GLU 88 2HB GLU 88 1.945 8.802 -7.024 662 HB3 GLU 88 3HB GLU 88 0.217 8.766 -6.702 663 HG2 GLU 88 2HG GLU 88 0.031 9.656 -9.144 664 HG3 GLU 88 3HG GLU 88 1.655 8.989 -9.300 665 H THR 89 H THR 89 1.648 10.838 -4.526 666 HA THR 89 HA THR 89 -1.121 11.233 -3.617 667 HB THR 89 HB THR 89 1.106 10.562 -1.734 668 HG1 THR 89 HG1 THR 89 0.856 9.102 -3.766 669 HG21 THR 89 3HG2 THR 89 -0.661 9.460 -0.507 670 HG22 THR 89 1HG2 THR 89 -1.793 9.720 -1.834 671 HG23 THR 89 2HG2 THR 89 -1.176 11.095 -0.918 672 H THR 90 H THR 90 -1.295 13.453 -3.852 673 HA THR 90 HA THR 90 0.659 15.154 -2.499 674 HB THR 90 HB THR 90 -1.669 16.451 -3.747 675 HG1 THR 90 HG1 THR 90 -1.548 15.080 -5.403 676 HG21 THR 90 3HG2 THR 90 -0.198 18.122 -3.887 677 HG22 THR 90 1HG2 THR 90 0.927 17.125 -4.808 678 HG23 THR 90 2HG2 THR 90 0.962 17.095 -3.045 679 H ASN 91 H ASN 91 -0.289 17.066 -1.276 680 HA ASN 91 HA ASN 91 -2.711 16.343 0.209 681 HB2 ASN 91 2HB ASN 91 -0.029 17.020 1.428 682 HB3 ASN 91 3HB ASN 91 -1.540 17.039 2.334 683 HD21 ASN 91 1HD2 ASN 91 -2.333 15.182 3.111 684 HD22 ASN 91 2HD2 ASN 91 -1.635 13.625 2.843 Start of MODEL 3 1 H GLY 1 H GLY 1 2.062 0.455 -4.192 2 HA2 GLY 1 2HA GLY 1 2.525 -2.368 -3.447 3 HA3 GLY 1 3HA GLY 1 3.559 -1.498 -4.570 4 H GLU 2 H GLU 2 3.998 0.874 -3.349 5 HA GLU 2 HA GLU 2 4.841 0.382 -0.611 6 HB2 GLU 2 2HB GLU 2 6.635 -0.105 -2.660 7 HB3 GLU 2 3HB GLU 2 7.033 1.532 -2.158 8 HG2 GLU 2 2HG GLU 2 8.153 0.740 -0.431 9 HG3 GLU 2 3HG GLU 2 6.688 -0.027 0.180 10 H LYS 3 H LYS 3 6.030 2.422 0.230 11 HA LYS 3 HA LYS 3 5.199 4.885 -1.061 12 HB2 LYS 3 2HB LYS 3 4.044 5.704 0.986 13 HB3 LYS 3 3HB LYS 3 3.207 4.375 0.195 14 HG2 LYS 3 2HG LYS 3 5.051 3.407 2.194 15 HG3 LYS 3 3HG LYS 3 3.901 4.560 2.875 16 HD2 LYS 3 2HD LYS 3 2.723 2.585 1.049 17 HD3 LYS 3 3HD LYS 3 3.416 1.904 2.524 18 HE2 LYS 3 2HE LYS 3 2.094 3.571 3.825 19 HE3 LYS 3 3HE LYS 3 1.318 4.061 2.320 20 HZ1 LYS 3 3HZ LYS 3 -0.126 2.520 3.289 21 HZ2 LYS 3 1HZ LYS 3 1.123 1.461 3.716 22 HZ3 LYS 3 2HZ LYS 3 0.680 1.636 2.093 23 H THR 4 H THR 4 7.715 3.580 -0.326 24 HA THR 4 HA THR 4 8.894 5.831 1.101 25 HB THR 4 HB THR 4 10.161 4.447 2.641 26 HG1 THR 4 HG1 THR 4 8.629 2.195 1.867 27 HG21 THR 4 3HG2 THR 4 8.407 3.807 4.146 28 HG22 THR 4 1HG2 THR 4 7.253 3.664 2.821 29 HG23 THR 4 2HG2 THR 4 7.877 5.248 3.279 30 H VAL 5 H VAL 5 11.157 6.057 0.765 31 HA VAL 5 HA VAL 5 12.046 4.834 -1.731 32 HB VAL 5 HB VAL 5 12.267 7.222 -1.654 33 HG11 VAL 5 1HG1 VAL 5 12.573 8.250 0.290 34 HG12 VAL 5 2HG1 VAL 5 13.036 6.735 1.067 35 HG13 VAL 5 3HG1 VAL 5 14.255 7.723 0.261 36 HG21 VAL 5 3HG2 VAL 5 14.095 5.820 -2.691 37 HG22 VAL 5 1HG2 VAL 5 14.543 7.471 -2.264 38 HG23 VAL 5 2HG2 VAL 5 15.040 6.128 -1.235 39 H LYS 6 H LYS 6 13.518 3.270 -1.827 40 HA LYS 6 HA LYS 6 14.878 2.477 0.642 41 HB2 LYS 6 2HB LYS 6 13.777 1.069 -1.635 42 HB3 LYS 6 3HB LYS 6 15.450 0.603 -1.358 43 HG2 LYS 6 2HG LYS 6 14.771 0.256 1.076 44 HG3 LYS 6 3HG LYS 6 13.107 0.346 0.494 45 HD2 LYS 6 2HD LYS 6 14.576 -1.416 -1.200 46 HD3 LYS 6 3HD LYS 6 14.858 -1.881 0.479 47 HE2 LYS 6 2HE LYS 6 12.306 -1.677 0.739 48 HE3 LYS 6 3HE LYS 6 12.266 -1.714 -1.023 49 HZ1 LYS 6 3HZ LYS 6 12.501 -3.867 0.760 50 HZ2 LYS 6 1HZ LYS 6 13.917 -3.791 -0.163 51 HZ3 LYS 6 2HZ LYS 6 12.414 -3.905 -0.929 52 H LEU 7 H LEU 7 16.754 3.529 0.892 53 HA LEU 7 HA LEU 7 18.449 4.058 -1.423 54 HB2 LEU 7 2HB LEU 7 18.995 4.818 1.433 55 HB3 LEU 7 3HB LEU 7 19.688 5.517 -0.029 56 HG LEU 7 HG LEU 7 16.785 5.779 0.741 57 HD11 LEU 7 1HD1 LEU 7 17.886 8.255 1.029 58 HD12 LEU 7 2HD1 LEU 7 19.157 7.215 1.671 59 HD13 LEU 7 3HD1 LEU 7 17.532 7.142 2.350 60 HD21 LEU 7 3HD2 LEU 7 18.479 7.268 -1.262 61 HD22 LEU 7 1HD2 LEU 7 16.772 7.552 -0.920 62 HD23 LEU 7 2HD2 LEU 7 17.284 6.029 -1.647 63 H TYR 8 H TYR 8 20.140 2.840 -1.942 64 HA TYR 8 HA TYR 8 21.163 0.948 0.073 65 HB2 TYR 8 2HB TYR 8 20.619 0.647 -2.849 66 HB3 TYR 8 3HB TYR 8 21.945 -0.270 -2.142 67 HD1 TYR 8 HD1 TYR 8 21.475 -1.915 -0.331 68 HD2 TYR 8 HD2 TYR 8 18.353 0.032 -2.467 69 HE1 TYR 8 HE1 TYR 8 19.885 -3.618 0.454 70 HE2 TYR 8 HE2 TYR 8 16.753 -1.665 -1.687 71 HH TYR 8 HH TYR 8 16.911 -4.113 -0.889 72 H GLU 9 H GLU 9 23.379 0.649 0.248 73 HA GLU 9 HA GLU 9 24.979 2.909 -0.530 74 HB2 GLU 9 2HB GLU 9 26.728 1.907 0.794 75 HB3 GLU 9 3HB GLU 9 25.212 1.791 1.677 76 HG2 GLU 9 2HG GLU 9 25.195 -0.572 0.385 77 HG3 GLU 9 3HG GLU 9 26.930 -0.324 0.577 78 H ASP 10 H ASP 10 24.665 -0.455 -1.484 79 HA ASP 10 HA ASP 10 26.938 -0.303 -3.279 80 HB2 ASP 10 2HB ASP 10 26.430 -2.389 -2.037 81 HB3 ASP 10 3HB ASP 10 24.912 -2.521 -2.919 82 H THR 11 H THR 11 26.865 0.098 -5.405 83 HA THR 11 HA THR 11 24.414 1.034 -6.566 84 HB THR 11 HB THR 11 26.436 2.185 -7.170 85 HG1 THR 11 HG1 THR 11 25.696 0.656 -9.451 86 HG21 THR 11 3HG2 THR 11 27.558 -0.405 -7.228 87 HG22 THR 11 1HG2 THR 11 28.379 1.137 -7.464 88 HG23 THR 11 2HG2 THR 11 27.729 0.263 -8.851 89 H HIS 12 H HIS 12 23.604 -1.335 -6.050 90 HA HIS 12 HA HIS 12 22.946 -2.527 -8.485 91 HB2 HIS 12 2HB HIS 12 25.518 -3.229 -7.785 92 HB3 HIS 12 3HB HIS 12 24.569 -4.576 -7.165 93 HD1 HIS 12 HD1 HIS 12 24.553 -6.408 -8.809 94 HD2 HIS 12 HD2 HIS 12 24.437 -2.689 -10.658 95 HE1 HIS 12 HE1 HIS 12 24.433 -6.886 -11.275 96 H PHE 13 H PHE 13 21.750 -1.730 -6.003 97 HA PHE 13 HA PHE 13 20.238 -2.417 -4.443 98 HB2 PHE 13 2HB PHE 13 19.821 -4.776 -6.285 99 HB3 PHE 13 3HB PHE 13 18.660 -4.080 -5.160 100 HD1 PHE 13 HD1 PHE 13 17.532 -1.988 -5.669 101 HD2 PHE 13 HD2 PHE 13 20.261 -3.756 -8.416 102 HE1 PHE 13 HE1 PHE 13 16.673 -0.530 -7.455 103 HE2 PHE 13 HE2 PHE 13 19.407 -2.301 -10.206 104 HZ PHE 13 HZ PHE 13 17.612 -0.684 -9.727 105 H LYS 14 H LYS 14 22.631 -2.976 -3.511 106 HA LYS 14 HA LYS 14 22.288 -5.598 -2.239 107 HB2 LYS 14 2HB LYS 14 24.788 -4.540 -3.544 108 HB3 LYS 14 3HB LYS 14 24.841 -5.794 -2.313 109 HG2 LYS 14 2HG LYS 14 22.935 -6.360 -4.440 110 HG3 LYS 14 3HG LYS 14 24.597 -6.197 -5.011 111 HD2 LYS 14 2HD LYS 14 24.282 -8.488 -4.472 112 HD3 LYS 14 3HD LYS 14 25.263 -7.795 -3.179 113 HE2 LYS 14 2HE LYS 14 23.614 -8.008 -1.630 114 HE3 LYS 14 3HE LYS 14 22.327 -7.747 -2.807 115 HZ1 LYS 14 3HZ LYS 14 22.012 -9.926 -2.806 116 HZ2 LYS 14 1HZ LYS 14 23.357 -10.186 -1.814 117 HZ3 LYS 14 2HZ LYS 14 23.543 -10.135 -3.494 118 H GLY 15 H GLY 15 23.340 -5.796 -0.164 119 HA2 GLY 15 2HA GLY 15 24.363 -4.946 1.771 120 HA3 GLY 15 3HA GLY 15 24.365 -3.347 1.041 121 H TYR 16 H TYR 16 23.536 -2.408 2.933 122 HA TYR 16 HA TYR 16 20.962 -3.282 3.935 123 HB2 TYR 16 2HB TYR 16 22.992 -2.279 5.270 124 HB3 TYR 16 3HB TYR 16 22.280 -0.738 4.803 125 HD1 TYR 16 HD2 TYR 16 21.532 -3.935 6.541 126 HD2 TYR 16 HD1 TYR 16 20.463 0.146 5.993 127 HE1 TYR 16 HE2 TYR 16 19.955 -4.102 8.421 128 HE2 TYR 16 HE1 TYR 16 18.884 -0.009 7.873 129 HH TYR 16 HH TYR 16 17.569 -2.376 8.980 130 H SER 17 H SER 17 19.144 -1.810 4.146 131 HA SER 17 HA SER 17 19.036 0.192 1.986 132 HB2 SER 17 2HB SER 17 16.423 -0.849 2.539 133 HB3 SER 17 3HB SER 17 17.333 -0.902 1.030 134 HG SER 17 HG SER 17 16.731 -2.987 1.983 135 H VAL 18 H VAL 18 17.981 2.096 2.407 136 HA VAL 18 HA VAL 18 17.088 2.486 5.190 137 HB VAL 18 HB VAL 18 18.412 4.458 3.325 138 HG11 VAL 18 1HG1 VAL 18 18.307 5.723 5.709 139 HG12 VAL 18 2HG1 VAL 18 17.126 5.953 4.418 140 HG13 VAL 18 3HG1 VAL 18 16.779 4.843 5.745 141 HG21 VAL 18 3HG2 VAL 18 19.763 4.356 5.751 142 HG22 VAL 18 1HG2 VAL 18 19.375 2.674 5.389 143 HG23 VAL 18 2HG2 VAL 18 20.280 3.641 4.224 144 H GLU 19 H GLU 19 15.042 3.081 5.487 145 HA GLU 19 HA GLU 19 13.475 3.889 3.141 146 HB2 GLU 19 2HB GLU 19 11.503 3.287 4.531 147 HB3 GLU 19 3HB GLU 19 12.600 1.941 4.257 148 HG2 GLU 19 2HG GLU 19 12.927 3.567 6.724 149 HG3 GLU 19 3HG GLU 19 11.590 2.422 6.629 150 H LEU 20 H LEU 20 12.380 5.791 3.055 151 HA LEU 20 HA LEU 20 12.456 7.539 5.414 152 HB2 LEU 20 2HB LEU 20 12.935 8.647 2.677 153 HB3 LEU 20 3HB LEU 20 13.301 9.362 4.245 154 HG LEU 20 HG LEU 20 14.773 7.015 3.050 155 HD11 LEU 20 1HD1 LEU 20 16.612 8.826 2.912 156 HD12 LEU 20 2HD1 LEU 20 15.265 9.964 2.941 157 HD13 LEU 20 3HD1 LEU 20 15.376 8.762 1.655 158 HD21 LEU 20 3HD2 LEU 20 14.766 8.303 5.659 159 HD22 LEU 20 1HD2 LEU 20 16.368 8.255 4.922 160 HD23 LEU 20 2HD2 LEU 20 15.461 6.760 5.157 161 HA PRO 21 HA PRO 21 8.186 7.387 3.735 162 HB2 PRO 21 2HB PRO 21 7.002 7.577 6.171 163 HB3 PRO 21 3HB PRO 21 7.554 6.043 5.488 164 HG2 PRO 21 2HG PRO 21 8.892 7.812 7.498 165 HG3 PRO 21 3HG PRO 21 8.739 6.046 7.489 166 HD2 PRO 21 2HD PRO 21 11.001 7.315 6.713 167 HD3 PRO 21 3HD PRO 21 10.477 5.776 6.000 168 H VAL 22 H VAL 22 9.040 9.571 2.965 169 HA VAL 22 HA VAL 22 8.655 11.801 2.707 170 HB VAL 22 HB VAL 22 6.588 11.562 4.891 171 HG11 VAL 22 1HG1 VAL 22 6.679 13.415 2.518 172 HG12 VAL 22 2HG1 VAL 22 5.584 13.482 3.901 173 HG13 VAL 22 3HG1 VAL 22 7.299 13.838 4.114 174 HG21 VAL 22 3HG2 VAL 22 6.480 10.767 2.006 175 HG22 VAL 22 1HG2 VAL 22 5.898 9.899 3.426 176 HG23 VAL 22 2HG2 VAL 22 5.027 11.316 2.841 177 H GLY 23 H GLY 23 9.650 13.604 3.452 178 HA2 GLY 23 2HA GLY 23 9.975 14.945 5.605 179 HA3 GLY 23 3HA GLY 23 10.714 13.465 6.198 180 H ASP 24 H ASP 24 12.144 15.781 6.251 181 HA ASP 24 HA ASP 24 14.027 15.498 4.003 182 HB2 ASP 24 2HB ASP 24 14.775 17.844 5.057 183 HB3 ASP 24 3HB ASP 24 13.509 17.715 3.839 184 H TYR 25 H TYR 25 16.147 15.092 4.399 185 HA TYR 25 HA TYR 25 17.001 14.931 7.211 186 HB2 TYR 25 2HB TYR 25 17.873 12.925 5.141 187 HB3 TYR 25 3HB TYR 25 18.013 12.821 6.893 188 HD1 TYR 25 HD1 TYR 25 15.472 12.945 4.169 189 HD2 TYR 25 HD2 TYR 25 16.410 11.652 8.112 190 HE1 TYR 25 HE1 TYR 25 13.357 11.692 4.255 191 HE2 TYR 25 HE2 TYR 25 14.299 10.395 8.209 192 HH TYR 25 HH TYR 25 12.551 9.636 7.013 193 H ASN 26 H ASN 26 19.254 15.190 7.580 194 HA ASN 26 HA ASN 26 20.637 16.584 5.384 195 HB2 ASN 26 2HB ASN 26 21.196 16.950 8.327 196 HB3 ASN 26 3HB ASN 26 21.717 17.973 6.991 197 HD21 ASN 26 1HD2 ASN 26 19.668 18.634 5.597 198 HD22 ASN 26 2HD2 ASN 26 18.405 19.352 6.532 199 H LEU 27 H LEU 27 23.170 16.700 6.367 200 HA LEU 27 HA LEU 27 24.262 14.239 5.657 201 HB2 LEU 27 2HB LEU 27 25.684 16.065 5.458 202 HB3 LEU 27 3HB LEU 27 25.333 16.638 7.087 203 HG LEU 27 HG LEU 27 26.721 14.033 6.877 204 HD11 LEU 27 1HD1 LEU 27 27.816 15.377 5.123 205 HD12 LEU 27 2HD1 LEU 27 28.882 15.032 6.485 206 HD13 LEU 27 3HD1 LEU 27 28.150 16.628 6.321 207 HD21 LEU 27 3HD2 LEU 27 26.639 16.401 8.682 208 HD22 LEU 27 1HD2 LEU 27 28.069 15.369 8.693 209 HD23 LEU 27 2HD2 LEU 27 26.485 14.685 9.061 210 H SER 28 H SER 28 23.890 15.659 8.901 211 HA SER 28 HA SER 28 24.946 13.485 10.328 212 HB2 SER 28 2HB SER 28 23.977 15.992 10.976 213 HB3 SER 28 3HB SER 28 22.810 14.908 11.734 214 HG SER 28 HG SER 28 24.438 13.979 12.904 215 H SER 29 H SER 29 21.594 14.288 9.473 216 HA SER 29 HA SER 29 20.290 12.230 10.787 217 HB2 SER 29 2HB SER 29 19.546 13.327 8.066 218 HB3 SER 29 3HB SER 29 18.465 12.556 9.226 219 HG SER 29 HG SER 29 18.165 14.505 9.937 220 H LEU 30 H LEU 30 22.085 12.178 7.782 221 HA LEU 30 HA LEU 30 21.202 9.617 6.916 222 HB2 LEU 30 2HB LEU 30 23.496 11.403 6.205 223 HB3 LEU 30 3HB LEU 30 23.409 9.763 5.566 224 HG LEU 30 HG LEU 30 21.099 11.628 5.201 225 HD11 LEU 30 1HD1 LEU 30 23.382 11.491 3.257 226 HD12 LEU 30 2HD1 LEU 30 23.284 12.735 4.502 227 HD13 LEU 30 3HD1 LEU 30 22.018 12.609 3.281 228 HD21 LEU 30 3HD2 LEU 30 22.025 9.772 3.107 229 HD22 LEU 30 1HD2 LEU 30 20.393 10.124 3.677 230 HD23 LEU 30 2HD2 LEU 30 21.428 9.026 4.590 231 H ILE 31 H ILE 31 23.773 10.745 9.003 232 HA ILE 31 HA ILE 31 25.321 8.398 9.078 233 HB ILE 31 HB ILE 31 24.979 10.308 11.384 234 HG12 ILE 31 2HG1 ILE 31 25.395 11.684 9.462 235 HG13 ILE 31 3HG1 ILE 31 26.907 11.548 10.352 236 HG21 ILE 31 1HG2 ILE 31 27.522 9.701 11.492 237 HG22 ILE 31 2HG2 ILE 31 26.312 8.604 12.155 238 HG23 ILE 31 3HG2 ILE 31 27.013 8.288 10.569 239 HD11 ILE 31 3HD1 ILE 31 26.937 9.447 8.520 240 HD12 ILE 31 1HD1 ILE 31 26.313 10.840 7.637 241 HD13 ILE 31 2HD1 ILE 31 27.871 10.942 8.458 242 H SER 32 H SER 32 22.591 9.478 11.060 243 HA SER 32 HA SER 32 22.636 7.327 12.883 244 HB2 SER 32 2HB SER 32 19.955 8.312 12.440 245 HB3 SER 32 3HB SER 32 20.994 8.507 13.852 246 HG SER 32 HG SER 32 20.355 10.308 11.970 247 H ARG 33 H ARG 33 21.334 7.678 9.675 248 HA ARG 33 HA ARG 33 19.598 5.418 9.769 249 HB2 ARG 33 2HB ARG 33 20.833 6.711 7.333 250 HB3 ARG 33 3HB ARG 33 19.400 5.693 7.375 251 HG2 ARG 33 2HG ARG 33 19.121 7.945 9.154 252 HG3 ARG 33 3HG ARG 33 19.497 8.466 7.511 253 HD2 ARG 33 2HD ARG 33 17.045 8.207 8.059 254 HD3 ARG 33 3HD ARG 33 17.612 7.355 6.624 255 HE ARG 33 HE ARG 33 17.067 5.382 7.636 256 HH11 ARG 33 1HH1 ARG 33 17.273 7.871 10.061 257 HH12 ARG 33 2HH1 ARG 33 16.680 6.859 11.336 258 HH21 ARG 33 1HH2 ARG 33 16.285 4.040 9.306 259 HH22 ARG 33 2HH2 ARG 33 16.119 4.680 10.906 260 H GLY 34 H GLY 34 22.948 5.718 9.672 261 HA2 GLY 34 2HA GLY 34 24.417 3.876 9.829 262 HA3 GLY 34 3HA GLY 34 23.204 2.872 9.048 263 H ALA 35 H ALA 35 23.252 5.591 7.262 264 HA ALA 35 HA ALA 35 25.329 4.532 5.457 265 HB1 ALA 35 1HB ALA 35 23.396 4.168 4.264 266 HB2 ALA 35 2HB ALA 35 22.598 5.603 4.909 267 HB3 ALA 35 3HB ALA 35 23.860 5.769 3.689 268 H LEU 36 H LEU 36 27.025 5.821 5.231 269 HA LEU 36 HA LEU 36 27.152 8.438 6.270 270 HB2 LEU 36 2HB LEU 36 28.960 6.563 5.381 271 HB3 LEU 36 3HB LEU 36 29.102 7.849 4.184 272 HG LEU 36 HG LEU 36 30.758 8.040 5.995 273 HD11 LEU 36 1HD1 LEU 36 29.647 10.014 4.755 274 HD12 LEU 36 2HD1 LEU 36 30.606 10.343 6.198 275 HD13 LEU 36 3HD1 LEU 36 28.845 10.322 6.295 276 HD21 LEU 36 3HD2 LEU 36 30.190 7.681 8.108 277 HD22 LEU 36 1HD2 LEU 36 28.505 7.481 7.629 278 HD23 LEU 36 2HD2 LEU 36 29.114 9.078 8.063 279 H ASN 37 H ASN 37 27.191 10.443 5.272 280 HA ASN 37 HA ASN 37 25.400 10.951 3.242 281 HB2 ASN 37 2HB ASN 37 26.403 13.182 3.087 282 HB3 ASN 37 3HB ASN 37 26.253 12.680 4.768 283 HD21 ASN 37 1HD2 ASN 37 28.038 12.504 6.004 284 HD22 ASN 37 2HD2 ASN 37 29.639 12.847 5.452 285 H ASP 38 H ASP 38 28.881 10.397 3.013 286 HA ASP 38 HA ASP 38 28.650 10.431 0.079 287 HB2 ASP 38 2HB ASP 38 31.137 10.668 0.097 288 HB3 ASP 38 3HB ASP 38 30.293 12.012 0.862 289 H ASP 39 H ASP 39 27.763 8.296 0.046 290 HA ASP 39 HA ASP 39 29.714 6.276 -0.315 291 HB2 ASP 39 2HB ASP 39 29.801 6.022 2.039 292 HB3 ASP 39 3HB ASP 39 28.053 6.171 2.198 293 H LEU 40 H LEU 40 26.334 7.095 0.211 294 HA LEU 40 HA LEU 40 25.036 4.883 -0.754 295 HB2 LEU 40 2HB LEU 40 24.420 7.632 -0.331 296 HB3 LEU 40 3HB LEU 40 23.740 7.137 -1.880 297 HG LEU 40 HG LEU 40 22.447 5.405 -0.813 298 HD11 LEU 40 1HD1 LEU 40 22.453 5.359 1.739 299 HD12 LEU 40 2HD1 LEU 40 24.005 6.188 1.628 300 HD13 LEU 40 3HD1 LEU 40 23.805 4.591 0.907 301 HD21 LEU 40 3HD2 LEU 40 21.325 7.481 -0.866 302 HD22 LEU 40 1HD2 LEU 40 22.273 8.115 0.480 303 HD23 LEU 40 2HD2 LEU 40 21.083 6.844 0.761 304 H SER 41 H SER 41 24.893 3.858 -2.643 305 HA SER 41 HA SER 41 25.737 5.275 -5.081 306 HB2 SER 41 2HB SER 41 26.327 2.353 -4.683 307 HB3 SER 41 3HB SER 41 27.076 3.491 -5.802 308 HG SER 41 HG SER 41 27.865 4.566 -3.818 309 H SER 42 H SER 42 23.213 3.983 -3.581 310 HA SER 42 HA SER 42 21.823 3.430 -6.061 311 HB2 SER 42 2HB SER 42 22.532 1.206 -5.668 312 HB3 SER 42 3HB SER 42 22.238 1.333 -3.934 313 HG SER 42 HG SER 42 20.277 1.315 -5.987 314 H ALA 43 H ALA 43 19.527 3.456 -5.840 315 HA ALA 43 HA ALA 43 18.149 3.751 -3.418 316 HB1 ALA 43 1HB ALA 43 19.049 5.801 -2.917 317 HB2 ALA 43 2HB ALA 43 19.213 6.266 -4.611 318 HB3 ALA 43 3HB ALA 43 17.627 6.284 -3.841 319 H ARG 44 H ARG 44 16.319 2.842 -4.086 320 HA ARG 44 HA ARG 44 15.168 3.716 -6.652 321 HB2 ARG 44 2HB ARG 44 15.675 1.361 -6.682 322 HB3 ARG 44 3HB ARG 44 14.858 1.118 -5.143 323 HG2 ARG 44 2HG ARG 44 13.218 2.269 -7.303 324 HG3 ARG 44 3HG ARG 44 13.742 0.599 -7.526 325 HD2 ARG 44 2HD ARG 44 12.804 0.009 -5.350 326 HD3 ARG 44 3HD ARG 44 12.300 1.681 -5.108 327 HE ARG 44 HE ARG 44 10.494 1.289 -6.453 328 HH11 ARG 44 1HH1 ARG 44 12.841 -1.234 -6.945 329 HH12 ARG 44 2HH1 ARG 44 11.798 -2.189 -7.946 330 HH21 ARG 44 1HH2 ARG 44 9.110 0.041 -7.769 331 HH22 ARG 44 2HH2 ARG 44 9.676 -1.462 -8.415 332 H VAL 45 H VAL 45 12.949 4.162 -6.780 333 HA VAL 45 HA VAL 45 11.539 4.435 -4.212 334 HB VAL 45 HB VAL 45 10.636 6.589 -4.882 335 HG11 VAL 45 1HG1 VAL 45 13.067 7.728 -5.186 336 HG12 VAL 45 2HG1 VAL 45 12.432 7.153 -3.644 337 HG13 VAL 45 3HG1 VAL 45 13.528 6.138 -4.581 338 HG21 VAL 45 3HG2 VAL 45 11.970 5.919 -7.431 339 HG22 VAL 45 1HG2 VAL 45 10.479 6.810 -7.129 340 HG23 VAL 45 2HG2 VAL 45 12.039 7.608 -6.930 341 HA PRO 46 HA PRO 46 8.174 2.471 -6.249 342 HB2 PRO 46 2HB PRO 46 6.110 3.434 -4.772 343 HB3 PRO 46 3HB PRO 46 7.242 2.220 -4.164 344 HG2 PRO 46 2HG PRO 46 7.196 5.175 -3.686 345 HG3 PRO 46 3HG PRO 46 7.492 3.860 -2.534 346 HD2 PRO 46 2HD PRO 46 9.494 5.324 -3.619 347 HD3 PRO 46 3HD PRO 46 9.688 3.613 -3.188 348 H SER 47 H SER 47 5.915 3.032 -7.130 349 HA SER 47 HA SER 47 6.224 5.264 -8.918 350 HB2 SER 47 2HB SER 47 3.683 3.688 -8.704 351 HB3 SER 47 3HB SER 47 4.465 4.357 -10.137 352 HG SER 47 HG SER 47 5.096 2.346 -10.343 353 H GLY 48 H GLY 48 5.739 7.272 -8.340 354 HA2 GLY 48 2HA GLY 48 4.036 8.898 -7.862 355 HA3 GLY 48 3HA GLY 48 3.267 7.722 -6.806 356 H LEU 49 H LEU 49 6.697 8.545 -6.882 357 HA LEU 49 HA LEU 49 6.403 9.891 -4.288 358 HB2 LEU 49 2HB LEU 49 7.233 7.368 -4.354 359 HB3 LEU 49 3HB LEU 49 8.772 8.151 -4.709 360 HG LEU 49 HG LEU 49 7.249 9.128 -2.355 361 HD11 LEU 49 1HD1 LEU 49 7.938 7.364 -0.933 362 HD12 LEU 49 2HD1 LEU 49 8.880 6.604 -2.216 363 HD13 LEU 49 3HD1 LEU 49 7.118 6.616 -2.304 364 HD21 LEU 49 3HD2 LEU 49 10.171 8.489 -2.608 365 HD22 LEU 49 1HD2 LEU 49 9.377 9.620 -1.512 366 HD23 LEU 49 2HD2 LEU 49 9.488 9.991 -3.233 367 H ARG 50 H ARG 50 7.581 11.703 -4.074 368 HA ARG 50 HA ARG 50 9.525 12.310 -6.202 369 HB2 ARG 50 2HB ARG 50 7.523 13.753 -6.209 370 HB3 ARG 50 3HB ARG 50 7.873 14.232 -4.554 371 HG2 ARG 50 2HG ARG 50 9.670 15.533 -5.164 372 HG3 ARG 50 3HG ARG 50 9.933 14.647 -6.668 373 HD2 ARG 50 2HD ARG 50 7.667 15.584 -7.399 374 HD3 ARG 50 3HD ARG 50 7.828 16.694 -6.039 375 HE ARG 50 HE ARG 50 10.129 16.679 -7.743 376 HH11 ARG 50 1HH1 ARG 50 6.930 17.982 -7.311 377 HH12 ARG 50 2HH1 ARG 50 7.242 19.406 -8.247 378 HH21 ARG 50 1HH2 ARG 50 10.553 18.550 -8.978 379 HH22 ARG 50 2HH2 ARG 50 9.303 19.728 -9.195 380 H LEU 51 H LEU 51 11.554 12.913 -5.667 381 HA LEU 51 HA LEU 51 12.176 13.603 -2.901 382 HB2 LEU 51 2HB LEU 51 13.795 11.509 -4.314 383 HB3 LEU 51 3HB LEU 51 13.826 11.955 -2.609 384 HG LEU 51 HG LEU 51 11.331 11.062 -2.712 385 HD11 LEU 51 1HD1 LEU 51 11.172 10.540 -5.007 386 HD12 LEU 51 2HD1 LEU 51 11.346 8.998 -4.170 387 HD13 LEU 51 3HD1 LEU 51 12.727 9.708 -5.005 388 HD21 LEU 51 3HD2 LEU 51 13.779 10.123 -1.776 389 HD22 LEU 51 1HD2 LEU 51 13.071 8.759 -2.641 390 HD23 LEU 51 2HD2 LEU 51 12.175 9.535 -1.334 391 H GLU 52 H GLU 52 14.253 14.606 -2.639 392 HA GLU 52 HA GLU 52 15.534 15.472 -5.137 393 HB2 GLU 52 2HB GLU 52 14.834 17.302 -2.834 394 HB3 GLU 52 3HB GLU 52 15.693 17.763 -4.297 395 HG2 GLU 52 2HG GLU 52 13.555 16.873 -5.493 396 HG3 GLU 52 3HG GLU 52 12.809 17.125 -3.916 397 H VAL 53 H VAL 53 17.621 15.007 -5.087 398 HA VAL 53 HA VAL 53 18.929 14.454 -2.548 399 HB VAL 53 HB VAL 53 20.097 14.226 -5.322 400 HG11 VAL 53 1HG1 VAL 53 21.868 14.179 -3.809 401 HG12 VAL 53 2HG1 VAL 53 20.939 13.289 -2.602 402 HG13 VAL 53 3HG1 VAL 53 21.499 12.474 -4.062 403 HG21 VAL 53 3HG2 VAL 53 19.577 11.673 -4.528 404 HG22 VAL 53 1HG2 VAL 53 18.174 12.535 -3.896 405 HG23 VAL 53 2HG2 VAL 53 18.559 12.616 -5.616 406 H PHE 54 H PHE 54 20.047 15.943 -1.493 407 HA PHE 54 HA PHE 54 21.104 18.242 -2.997 408 HB2 PHE 54 2HB PHE 54 20.615 18.149 -0.022 409 HB3 PHE 54 3HB PHE 54 20.880 19.567 -1.031 410 HD1 PHE 54 HD1 PHE 54 19.057 19.099 -3.261 411 HD2 PHE 54 HD2 PHE 54 18.516 18.417 0.905 412 HE1 PHE 54 HE1 PHE 54 16.625 19.357 -3.538 413 HE2 PHE 54 HE2 PHE 54 16.084 18.672 0.635 414 HZ PHE 54 HZ PHE 54 15.135 19.142 -1.589 415 H GLN 55 H GLN 55 23.094 17.406 -3.569 416 HA GLN 55 HA GLN 55 24.825 15.929 -1.983 417 HB2 GLN 55 2HB GLN 55 26.633 16.828 -3.472 418 HB3 GLN 55 3HB GLN 55 25.260 16.134 -4.324 419 HG2 GLN 55 2HG GLN 55 24.366 18.456 -4.590 420 HG3 GLN 55 3HG GLN 55 25.896 19.046 -3.942 421 HE21 GLN 55 1HE2 GLN 55 26.855 19.963 -5.633 422 HE22 GLN 55 2HE2 GLN 55 27.168 19.188 -7.145 423 H HIS 56 H HIS 56 24.643 19.455 -2.385 424 HA HIS 56 HA HIS 56 26.707 19.923 -0.433 425 HB2 HIS 56 2HB HIS 56 25.101 21.542 -2.290 426 HB3 HIS 56 3HB HIS 56 25.481 22.346 -0.770 427 HD1 HIS 56 HD1 HIS 56 28.297 21.678 -0.217 428 HD2 HIS 56 HD2 HIS 56 26.941 22.336 -4.089 429 HE1 HIS 56 HE1 HIS 56 30.339 22.298 -1.548 430 H ASN 57 H ASN 57 26.125 21.685 1.301 431 HA ASN 57 HA ASN 57 24.690 20.528 3.317 432 HB2 ASN 57 2HB ASN 57 25.728 23.207 2.766 433 HB3 ASN 57 3HB ASN 57 24.322 23.218 3.826 434 HD21 ASN 57 1HD2 ASN 57 27.638 22.359 3.479 435 HD22 ASN 57 2HD2 ASN 57 27.911 21.888 5.119 436 H ASN 58 H ASN 58 22.654 21.275 4.362 437 HA ASN 58 HA ASN 58 20.434 20.810 2.839 438 HB2 ASN 58 2HB ASN 58 20.612 20.970 5.380 439 HB3 ASN 58 3HB ASN 58 20.384 22.705 5.186 440 HD21 ASN 58 1HD2 ASN 58 18.383 23.445 5.160 441 HD22 ASN 58 2HD2 ASN 58 16.958 22.495 4.933 442 H PHE 59 H PHE 59 20.052 21.833 0.961 443 HA PHE 59 HA PHE 59 19.686 23.496 -0.558 444 HB2 PHE 59 2HB PHE 59 18.438 24.679 1.925 445 HB3 PHE 59 3HB PHE 59 18.253 25.380 0.321 446 HD1 PHE 59 HD1 PHE 59 17.768 22.175 2.152 447 HD2 PHE 59 HD2 PHE 59 16.478 24.730 -0.998 448 HE1 PHE 59 HE1 PHE 59 15.861 20.680 1.726 449 HE2 PHE 59 HE2 PHE 59 14.568 23.240 -1.429 450 HZ PHE 59 HZ PHE 59 14.257 21.213 -0.065 451 H LYS 60 H LYS 60 22.237 23.604 -0.017 452 HA LYS 60 HA LYS 60 22.834 26.441 0.520 453 HB2 LYS 60 2HB LYS 60 23.872 25.122 2.219 454 HB3 LYS 60 3HB LYS 60 24.480 23.967 1.041 455 HG2 LYS 60 2HG LYS 60 25.359 26.778 0.752 456 HG3 LYS 60 3HG LYS 60 26.002 25.860 2.115 457 HD2 LYS 60 2HD LYS 60 26.422 24.038 0.262 458 HD3 LYS 60 3HD LYS 60 26.375 25.437 -0.813 459 HE2 LYS 60 2HE LYS 60 28.013 25.794 1.595 460 HE3 LYS 60 3HE LYS 60 28.592 24.547 0.493 461 HZ1 LYS 60 3HZ LYS 60 28.735 26.107 -1.262 462 HZ2 LYS 60 1HZ LYS 60 29.473 26.831 0.077 463 HZ3 LYS 60 2HZ LYS 60 27.913 27.297 -0.383 464 H GLY 61 H GLY 61 23.397 23.676 -1.564 465 HA2 GLY 61 2HA GLY 61 24.736 25.488 -3.478 466 HA3 GLY 61 3HA GLY 61 25.170 23.794 -3.303 467 H VAL 62 H VAL 62 24.406 22.527 -4.845 468 HA VAL 62 HA VAL 62 22.130 23.426 -6.438 469 HB VAL 62 HB VAL 62 22.751 21.724 -8.038 470 HG11 VAL 62 1HG1 VAL 62 25.459 22.528 -7.744 471 HG12 VAL 62 2HG1 VAL 62 24.232 23.170 -8.838 472 HG13 VAL 62 3HG1 VAL 62 24.429 23.862 -7.227 473 HG21 VAL 62 3HG2 VAL 62 24.661 20.240 -7.673 474 HG22 VAL 62 1HG2 VAL 62 24.850 20.881 -6.041 475 HG23 VAL 62 2HG2 VAL 62 23.402 19.969 -6.468 476 H ARG 63 H ARG 63 20.308 22.137 -6.838 477 HA ARG 63 HA ARG 63 19.858 20.016 -4.843 478 HB2 ARG 63 2HB ARG 63 17.541 20.631 -4.769 479 HB3 ARG 63 3HB ARG 63 18.495 22.090 -4.539 480 HG2 ARG 63 2HG ARG 63 18.193 22.335 -7.126 481 HG3 ARG 63 3HG ARG 63 16.814 21.268 -6.854 482 HD2 ARG 63 2HD ARG 63 15.721 23.197 -6.463 483 HD3 ARG 63 3HD ARG 63 16.452 23.057 -4.864 484 HE ARG 63 HE ARG 63 17.763 24.869 -5.346 485 HH11 ARG 63 1HH1 ARG 63 16.410 23.624 -8.303 486 HH12 ARG 63 2HH1 ARG 63 16.978 24.944 -9.271 487 HH21 ARG 63 1HH2 ARG 63 18.515 26.612 -6.611 488 HH22 ARG 63 2HH2 ARG 63 18.176 26.643 -8.308 489 H ASP 64 H ASP 64 19.153 18.066 -5.519 490 HA ASP 64 HA ASP 64 18.825 17.707 -8.418 491 HB2 ASP 64 2HB ASP 64 20.525 16.409 -6.751 492 HB3 ASP 64 3HB ASP 64 19.138 15.324 -6.698 493 H PHE 65 H PHE 65 17.448 15.576 -8.826 494 HA PHE 65 HA PHE 65 15.168 15.310 -7.079 495 HB2 PHE 65 2HB PHE 65 13.540 15.895 -8.915 496 HB3 PHE 65 3HB PHE 65 14.420 17.263 -8.240 497 HD1 PHE 65 HD2 PHE 65 16.228 18.327 -9.525 498 HD2 PHE 65 HD1 PHE 65 13.807 15.246 -11.186 499 HE1 PHE 65 HE2 PHE 65 16.977 18.960 -11.782 500 HE2 PHE 65 HE1 PHE 65 14.552 15.873 -13.445 501 HZ PHE 65 HZ PHE 65 16.139 17.733 -13.746 502 H TYR 66 H TYR 66 14.586 13.247 -7.101 503 HA TYR 66 HA TYR 66 15.029 11.684 -9.559 504 HB2 TYR 66 2HB TYR 66 16.122 11.277 -6.913 505 HB3 TYR 66 3HB TYR 66 15.153 9.892 -7.403 506 HD1 TYR 66 HD1 TYR 66 15.612 9.511 -10.171 507 HD2 TYR 66 HD2 TYR 66 18.365 10.859 -7.222 508 HE1 TYR 66 HE1 TYR 66 17.478 8.687 -11.545 509 HE2 TYR 66 HE2 TYR 66 20.239 10.040 -8.588 510 HH TYR 66 HH TYR 66 19.819 8.991 -11.845 511 H THR 67 H THR 67 13.308 10.625 -10.299 512 HA THR 67 HA THR 67 11.086 10.060 -8.457 513 HB THR 67 HB THR 67 9.457 10.699 -10.165 514 HG1 THR 67 HG1 THR 67 10.055 11.260 -12.142 515 HG21 THR 67 3HG2 THR 67 11.294 13.052 -9.943 516 HG22 THR 67 1HG2 THR 67 10.553 12.370 -8.497 517 HG23 THR 67 2HG2 THR 67 9.538 12.989 -9.800 518 H SER 68 H SER 68 13.135 8.291 -9.385 519 HA SER 68 HA SER 68 11.543 6.116 -10.241 520 HB2 SER 68 2HB SER 68 11.878 7.496 -12.392 521 HB3 SER 68 3HB SER 68 13.553 6.949 -12.325 522 HG SER 68 HG SER 68 11.863 5.652 -13.536 523 H ASP 69 H ASP 69 13.009 4.192 -10.863 524 HA ASP 69 HA ASP 69 14.713 3.617 -8.768 525 HB2 ASP 69 2HB ASP 69 15.030 2.409 -11.514 526 HB3 ASP 69 3HB ASP 69 15.347 1.656 -9.954 527 H ALA 70 H ALA 70 16.672 4.293 -8.228 528 HA ALA 70 HA ALA 70 18.420 5.370 -10.344 529 HB1 ALA 70 1HB ALA 70 17.459 7.002 -8.627 530 HB2 ALA 70 2HB ALA 70 18.556 6.239 -7.476 531 HB3 ALA 70 3HB ALA 70 19.200 7.042 -8.907 532 H ALA 71 H ALA 71 19.826 3.763 -10.755 533 HA ALA 71 HA ALA 71 20.815 2.014 -8.701 534 HB1 ALA 71 1HB ALA 71 22.294 2.011 -11.214 535 HB2 ALA 71 2HB ALA 71 21.446 0.699 -10.394 536 HB3 ALA 71 3HB ALA 71 20.554 1.818 -11.424 537 H GLU 72 H GLU 72 21.543 5.130 -9.485 538 HA GLU 72 HA GLU 72 24.095 4.977 -8.107 539 HB2 GLU 72 2HB GLU 72 23.902 5.328 -10.964 540 HB3 GLU 72 3HB GLU 72 24.608 6.757 -10.222 541 HG2 GLU 72 2HG GLU 72 26.194 5.192 -9.029 542 HG3 GLU 72 3HG GLU 72 25.600 3.928 -10.103 543 H LEU 73 H LEU 73 24.464 6.722 -6.851 544 HA LEU 73 HA LEU 73 22.456 8.481 -6.169 545 HB2 LEU 73 2HB LEU 73 25.219 8.107 -5.528 546 HB3 LEU 73 3HB LEU 73 24.890 9.830 -5.706 547 HG LEU 73 HG LEU 73 23.588 7.908 -3.783 548 HD11 LEU 73 1HD1 LEU 73 24.726 9.005 -2.104 549 HD12 LEU 73 2HD1 LEU 73 24.996 10.447 -3.082 550 HD13 LEU 73 3HD1 LEU 73 25.923 8.980 -3.399 551 HD21 LEU 73 3HD2 LEU 73 22.866 10.716 -4.558 552 HD22 LEU 73 1HD2 LEU 73 22.470 10.060 -2.970 553 HD23 LEU 73 2HD2 LEU 73 21.821 9.301 -4.424 554 H SER 74 H SER 74 22.320 10.822 -6.425 555 HA SER 74 HA SER 74 22.102 11.646 -9.046 556 HB2 SER 74 2HB SER 74 21.958 13.949 -8.158 557 HB3 SER 74 3HB SER 74 21.004 12.817 -7.199 558 HG SER 74 HG SER 74 23.295 14.231 -6.529 559 H ARG 75 H ARG 75 24.887 11.715 -6.947 560 HA ARG 75 HA ARG 75 26.621 12.233 -9.183 561 HB2 ARG 75 2HB ARG 75 25.740 14.442 -7.675 562 HB3 ARG 75 3HB ARG 75 27.390 14.128 -7.154 563 HG2 ARG 75 2HG ARG 75 28.193 15.067 -8.987 564 HG3 ARG 75 3HG ARG 75 27.251 13.974 -10.005 565 HD2 ARG 75 2HD ARG 75 25.499 15.458 -10.208 566 HD3 ARG 75 3HD ARG 75 25.898 16.296 -8.709 567 HE ARG 75 HE ARG 75 26.808 16.958 -11.310 568 HH11 ARG 75 1HH1 ARG 75 27.825 16.849 -7.982 569 HH12 ARG 75 2HH1 ARG 75 28.992 18.117 -8.161 570 HH21 ARG 75 1HH2 ARG 75 28.340 18.629 -11.558 571 HH22 ARG 75 2HH2 ARG 75 29.284 19.129 -10.196 572 H ASP 76 H ASP 76 28.951 12.840 -7.919 573 HA ASP 76 HA ASP 76 29.850 10.410 -6.950 574 HB2 ASP 76 2HB ASP 76 30.904 13.118 -7.169 575 HB3 ASP 76 3HB ASP 76 31.541 12.267 -5.764 576 H ASN 77 H ASN 77 30.599 9.794 -4.820 577 HA ASN 77 HA ASN 77 28.666 9.880 -2.860 578 HB2 ASN 77 2HB ASN 77 30.662 9.304 -1.288 579 HB3 ASN 77 3HB ASN 77 30.244 8.188 -2.584 580 HD21 ASN 77 1HD2 ASN 77 32.631 10.207 -1.251 581 HD22 ASN 77 2HD2 ASN 77 33.847 9.958 -2.452 582 H ASP 78 H ASP 78 27.850 11.763 -2.140 583 HA ASP 78 HA ASP 78 29.184 13.274 -0.214 584 HB2 ASP 78 2HB ASP 78 30.108 13.984 -2.703 585 HB3 ASP 78 3HB ASP 78 28.833 15.167 -2.427 586 H ALA 79 H ALA 79 26.637 12.062 -0.709 587 HA ALA 79 HA ALA 79 24.696 14.117 -1.191 588 HB1 ALA 79 1HB ALA 79 24.276 11.740 -1.701 589 HB2 ALA 79 2HB ALA 79 24.295 11.388 0.027 590 HB3 ALA 79 3HB ALA 79 23.048 12.438 -0.645 591 H SER 80 H SER 80 25.198 15.746 0.314 592 HA SER 80 HA SER 80 25.460 15.347 3.085 593 HB2 SER 80 2HB SER 80 24.736 17.748 1.415 594 HB3 SER 80 3HB SER 80 24.796 17.835 3.175 595 HG SER 80 HG SER 80 26.785 18.383 1.979 596 H SER 81 H SER 81 22.729 17.047 1.565 597 HA SER 81 HA SER 81 20.955 15.745 3.526 598 HB2 SER 81 2HB SER 81 20.959 18.041 4.073 599 HB3 SER 81 3HB SER 81 20.932 18.532 2.379 600 HG SER 81 HG SER 81 18.885 18.605 3.691 601 H VAL 82 H VAL 82 18.693 15.486 2.820 602 HA VAL 82 HA VAL 82 18.231 15.425 -0.049 603 HB VAL 82 HB VAL 82 17.456 13.041 0.041 604 HG11 VAL 82 1HG1 VAL 82 20.363 13.070 0.702 605 HG12 VAL 82 2HG1 VAL 82 19.510 12.227 -0.592 606 HG13 VAL 82 3HG1 VAL 82 19.791 13.964 -0.705 607 HG21 VAL 82 3HG2 VAL 82 17.382 13.065 2.596 608 HG22 VAL 82 1HG2 VAL 82 18.021 11.618 1.817 609 HG23 VAL 82 2HG2 VAL 82 19.124 12.797 2.528 610 H ARG 83 H ARG 83 15.969 14.783 -0.560 611 HA ARG 83 HA ARG 83 14.119 15.226 1.677 612 HB2 ARG 83 2HB ARG 83 14.691 17.168 -0.211 613 HB3 ARG 83 3HB ARG 83 13.213 16.435 -0.820 614 HG2 ARG 83 2HG ARG 83 11.981 17.467 0.707 615 HG3 ARG 83 3HG ARG 83 13.035 16.929 2.016 616 HD2 ARG 83 2HD ARG 83 14.376 18.812 1.884 617 HD3 ARG 83 3HD ARG 83 13.897 19.159 0.223 618 HE ARG 83 HE ARG 83 12.571 20.013 2.622 619 HH11 ARG 83 1HH1 ARG 83 12.179 19.316 -0.766 620 HH12 ARG 83 2HH1 ARG 83 10.794 20.342 -0.950 621 HH21 ARG 83 1HH2 ARG 83 10.749 21.366 2.393 622 HH22 ARG 83 2HH2 ARG 83 9.982 21.508 0.847 623 H VAL 84 H VAL 84 12.307 14.002 1.638 624 HA VAL 84 HA VAL 84 11.696 12.493 -0.809 625 HB VAL 84 HB VAL 84 11.413 10.440 0.361 626 HG11 VAL 84 1HG1 VAL 84 13.783 11.336 -0.186 627 HG12 VAL 84 2HG1 VAL 84 13.958 11.453 1.566 628 HG13 VAL 84 3HG1 VAL 84 13.618 9.893 0.815 629 HG21 VAL 84 3HG2 VAL 84 11.378 12.183 2.718 630 HG22 VAL 84 1HG2 VAL 84 10.576 10.637 2.434 631 HG23 VAL 84 2HG2 VAL 84 12.266 10.675 2.937 632 H SER 85 H SER 85 9.557 12.175 -1.220 633 HA SER 85 HA SER 85 7.542 12.568 0.795 634 HB2 SER 85 2HB SER 85 7.486 14.501 -1.519 635 HB3 SER 85 3HB SER 85 6.525 14.535 -0.040 636 HG SER 85 HG SER 85 8.118 16.025 0.238 637 H LYS 86 H LYS 86 5.327 12.330 -0.131 638 HA LYS 86 HA LYS 86 5.401 10.354 -2.291 639 HB2 LYS 86 2HB LYS 86 4.291 9.992 0.035 640 HB3 LYS 86 3HB LYS 86 2.982 10.965 -0.623 641 HG2 LYS 86 2HG LYS 86 2.323 9.350 -2.083 642 HG3 LYS 86 3HG LYS 86 3.948 8.678 -2.245 643 HD2 LYS 86 2HD LYS 86 3.646 7.238 -0.547 644 HD3 LYS 86 3HD LYS 86 2.816 8.438 0.446 645 HE2 LYS 86 2HE LYS 86 1.471 7.193 -1.926 646 HE3 LYS 86 3HE LYS 86 1.500 6.373 -0.366 647 HZ1 LYS 86 3HZ LYS 86 -0.063 8.624 -1.217 648 HZ2 LYS 86 1HZ LYS 86 0.714 8.891 0.262 649 HZ3 LYS 86 2HZ LYS 86 -0.315 7.562 0.074 650 H MET 87 H MET 87 4.725 10.846 -4.268 651 HA MET 87 HA MET 87 3.273 13.357 -4.672 652 HB2 MET 87 2HB MET 87 5.451 12.297 -5.974 653 HB3 MET 87 3HB MET 87 4.128 11.893 -7.061 654 HG2 MET 87 2HG MET 87 5.064 13.987 -7.726 655 HG3 MET 87 3HG MET 87 3.456 14.268 -7.062 656 HE1 MET 87 3HE MET 87 3.749 17.024 -5.196 657 HE2 MET 87 1HE MET 87 2.817 15.585 -5.612 658 HE3 MET 87 2HE MET 87 3.542 15.734 -4.011 659 H GLU 88 H GLU 88 2.063 12.933 -7.077 660 HA GLU 88 HA GLU 88 0.142 12.163 -8.019 661 HB2 GLU 88 2HB GLU 88 1.599 9.835 -7.183 662 HB3 GLU 88 3HB GLU 88 -0.123 9.547 -6.978 663 HG2 GLU 88 2HG GLU 88 0.090 10.745 -9.473 664 HG3 GLU 88 3HG GLU 88 1.460 9.640 -9.387 665 H THR 89 H THR 89 0.282 13.171 -5.140 666 HA THR 89 HA THR 89 -1.706 11.926 -3.603 667 HB THR 89 HB THR 89 -1.390 14.884 -3.413 668 HG1 THR 89 HG1 THR 89 0.631 13.259 -2.324 669 HG21 THR 89 3HG2 THR 89 -1.890 14.561 -1.224 670 HG22 THR 89 1HG2 THR 89 -0.968 13.061 -1.124 671 HG23 THR 89 2HG2 THR 89 -2.582 13.058 -1.834 672 H THR 90 H THR 90 -1.905 14.627 -5.897 673 HA THR 90 HA THR 90 -4.826 14.589 -5.675 674 HB THR 90 HB THR 90 -4.276 16.597 -7.449 675 HG1 THR 90 HG1 THR 90 -2.424 17.621 -6.809 676 HG21 THR 90 3HG2 THR 90 -5.754 16.885 -5.597 677 HG22 THR 90 1HG2 THR 90 -4.496 18.112 -5.452 678 HG23 THR 90 2HG2 THR 90 -4.442 16.669 -4.439 679 H ASN 91 H ASN 91 -5.930 13.393 -7.068 680 HA ASN 91 HA ASN 91 -4.715 12.724 -9.653 681 HB2 ASN 91 2HB ASN 91 -6.312 11.265 -7.749 682 HB3 ASN 91 3HB ASN 91 -7.108 11.272 -9.320 683 HD21 ASN 91 1HD2 ASN 91 -6.329 10.025 -10.916 684 HD22 ASN 91 2HD2 ASN 91 -4.927 9.025 -10.782 Start of MODEL 4 1 H GLY 1 H GLY 1 5.981 -2.432 0.313 2 HA2 GLY 1 2HA GLY 1 6.498 -0.193 1.547 3 HA3 GLY 1 3HA GLY 1 7.989 -0.314 0.625 4 H GLU 2 H GLU 2 4.983 1.033 0.659 5 HA GLU 2 HA GLU 2 4.976 1.335 -2.272 6 HB2 GLU 2 2HB GLU 2 2.827 0.621 -0.421 7 HB3 GLU 2 3HB GLU 2 2.411 1.965 -1.474 8 HG2 GLU 2 2HG GLU 2 2.429 0.690 -3.351 9 HG3 GLU 2 3HG GLU 2 3.656 -0.411 -2.727 10 H LYS 3 H LYS 3 4.369 2.869 0.844 11 HA LYS 3 HA LYS 3 4.277 5.496 -0.456 12 HB2 LYS 3 2HB LYS 3 3.357 6.345 1.588 13 HB3 LYS 3 3HB LYS 3 2.495 4.865 1.187 14 HG2 LYS 3 2HG LYS 3 4.531 3.954 2.778 15 HG3 LYS 3 3HG LYS 3 4.131 5.511 3.507 16 HD2 LYS 3 2HD LYS 3 2.678 4.085 4.600 17 HD3 LYS 3 3HD LYS 3 1.673 4.679 3.276 18 HE2 LYS 3 2HE LYS 3 1.397 2.296 3.468 19 HE3 LYS 3 3HE LYS 3 2.266 2.657 1.978 20 HZ1 LYS 3 3HZ LYS 3 3.170 0.767 3.317 21 HZ2 LYS 3 1HZ LYS 3 3.627 1.891 4.497 22 HZ3 LYS 3 2HZ LYS 3 4.295 1.974 2.945 23 H THR 4 H THR 4 6.736 3.912 -0.146 24 HA THR 4 HA THR 4 8.350 5.997 1.080 25 HB THR 4 HB THR 4 9.720 4.316 2.340 26 HG1 THR 4 HG1 THR 4 8.457 2.547 1.065 27 HG21 THR 4 3HG2 THR 4 8.183 4.160 4.244 28 HG22 THR 4 1HG2 THR 4 6.832 4.575 3.190 29 HG23 THR 4 2HG2 THR 4 8.109 5.753 3.492 30 H VAL 5 H VAL 5 10.757 5.446 0.773 31 HA VAL 5 HA VAL 5 11.095 4.180 -1.869 32 HB VAL 5 HB VAL 5 12.838 5.725 -2.387 33 HG11 VAL 5 1HG1 VAL 5 11.225 7.856 -1.369 34 HG12 VAL 5 2HG1 VAL 5 11.338 7.236 -3.017 35 HG13 VAL 5 3HG1 VAL 5 10.186 6.528 -1.884 36 HG21 VAL 5 3HG2 VAL 5 12.533 6.731 0.440 37 HG22 VAL 5 1HG2 VAL 5 13.925 5.893 -0.246 38 HG23 VAL 5 2HG2 VAL 5 13.509 7.514 -0.802 39 H LYS 6 H LYS 6 13.286 3.314 -2.281 40 HA LYS 6 HA LYS 6 14.525 2.271 0.181 41 HB2 LYS 6 2HB LYS 6 13.619 0.873 -2.277 42 HB3 LYS 6 3HB LYS 6 15.140 0.335 -1.576 43 HG2 LYS 6 2HG LYS 6 13.913 0.098 0.612 44 HG3 LYS 6 3HG LYS 6 12.421 0.358 -0.297 45 HD2 LYS 6 2HD LYS 6 13.991 -1.606 -1.645 46 HD3 LYS 6 3HD LYS 6 13.865 -2.051 0.059 47 HE2 LYS 6 2HE LYS 6 11.428 -1.176 -1.429 48 HE3 LYS 6 3HE LYS 6 12.037 -2.815 -1.646 49 HZ1 LYS 6 3HZ LYS 6 11.776 -1.893 1.100 50 HZ2 LYS 6 1HZ LYS 6 11.437 -3.409 0.428 51 HZ3 LYS 6 2HZ LYS 6 10.328 -2.144 0.262 52 H LEU 7 H LEU 7 16.413 3.291 0.387 53 HA LEU 7 HA LEU 7 17.996 3.880 -2.009 54 HB2 LEU 7 2HB LEU 7 18.303 4.839 0.832 55 HB3 LEU 7 3HB LEU 7 19.322 5.324 -0.521 56 HG LEU 7 HG LEU 7 16.404 5.966 -0.116 57 HD11 LEU 7 1HD1 LEU 7 17.235 8.287 -0.118 58 HD12 LEU 7 2HD1 LEU 7 18.887 7.674 -0.191 59 HD13 LEU 7 3HD1 LEU 7 17.882 7.332 1.217 60 HD21 LEU 7 3HD2 LEU 7 16.872 5.485 -2.476 61 HD22 LEU 7 1HD2 LEU 7 18.192 6.655 -2.446 62 HD23 LEU 7 2HD2 LEU 7 16.530 7.195 -2.209 63 H TYR 8 H TYR 8 19.907 2.925 -2.421 64 HA TYR 8 HA TYR 8 21.001 1.110 -0.375 65 HB2 TYR 8 2HB TYR 8 20.773 0.652 -3.354 66 HB3 TYR 8 3HB TYR 8 21.719 -0.365 -2.272 67 HD1 TYR 8 HD2 TYR 8 18.332 0.625 -3.275 68 HD2 TYR 8 HD1 TYR 8 20.640 -1.902 -0.748 69 HE1 TYR 8 HE2 TYR 8 16.327 -0.715 -2.794 70 HE2 TYR 8 HE1 TYR 8 18.642 -3.251 -0.261 71 HH TYR 8 HH TYR 8 16.502 -3.726 -1.062 72 H GLU 9 H GLU 9 23.260 0.857 -0.328 73 HA GLU 9 HA GLU 9 24.702 3.190 -1.271 74 HB2 GLU 9 2HB GLU 9 26.442 2.544 0.201 75 HB3 GLU 9 3HB GLU 9 24.941 2.215 1.055 76 HG2 GLU 9 2HG GLU 9 25.467 -0.153 -0.253 77 HG3 GLU 9 3HG GLU 9 27.061 0.409 0.249 78 H ASP 10 H ASP 10 24.086 0.066 -2.366 79 HA ASP 10 HA ASP 10 26.596 -0.348 -3.724 80 HB2 ASP 10 2HB ASP 10 24.684 -2.059 -2.890 81 HB3 ASP 10 3HB ASP 10 24.202 -1.872 -4.574 82 H THR 11 H THR 11 25.900 -1.245 -6.200 83 HA THR 11 HA THR 11 24.921 1.206 -7.508 84 HB THR 11 HB THR 11 26.338 0.758 -9.371 85 HG1 THR 11 HG1 THR 11 26.226 -1.451 -9.580 86 HG21 THR 11 3HG2 THR 11 27.836 0.219 -6.805 87 HG22 THR 11 1HG2 THR 11 27.496 1.797 -7.514 88 HG23 THR 11 2HG2 THR 11 28.586 0.679 -8.334 89 H HIS 12 H HIS 12 23.044 -0.634 -6.661 90 HA HIS 12 HA HIS 12 21.563 -1.099 -8.985 91 HB2 HIS 12 2HB HIS 12 23.434 -3.216 -8.298 92 HB3 HIS 12 3HB HIS 12 21.771 -3.795 -8.313 93 HD1 HIS 12 HD1 HIS 12 24.435 -3.860 -10.460 94 HD2 HIS 12 HD2 HIS 12 20.559 -2.437 -10.918 95 HE1 HIS 12 HE1 HIS 12 24.018 -3.830 -12.940 96 H PHE 13 H PHE 13 21.929 -3.289 -6.213 97 HA PHE 13 HA PHE 13 19.771 -2.125 -4.747 98 HB2 PHE 13 2HB PHE 13 18.328 -4.224 -4.905 99 HB3 PHE 13 3HB PHE 13 18.319 -3.157 -6.305 100 HD1 PHE 13 HD1 PHE 13 19.813 -6.273 -4.968 101 HD2 PHE 13 HD2 PHE 13 18.905 -3.953 -8.419 102 HE1 PHE 13 HE1 PHE 13 20.460 -8.163 -6.405 103 HE2 PHE 13 HE2 PHE 13 19.549 -5.839 -9.861 104 HZ PHE 13 HZ PHE 13 20.327 -7.948 -8.854 105 H LYS 14 H LYS 14 22.549 -3.110 -4.446 106 HA LYS 14 HA LYS 14 22.176 -5.245 -2.467 107 HB2 LYS 14 2HB LYS 14 24.313 -4.510 -4.310 108 HB3 LYS 14 3HB LYS 14 24.901 -4.769 -2.673 109 HG2 LYS 14 2HG LYS 14 23.145 -6.754 -4.083 110 HG3 LYS 14 3HG LYS 14 24.905 -6.770 -4.220 111 HD2 LYS 14 2HD LYS 14 24.767 -8.139 -2.431 112 HD3 LYS 14 3HD LYS 14 24.628 -6.622 -1.538 113 HE2 LYS 14 2HE LYS 14 22.446 -6.953 -1.060 114 HE3 LYS 14 3HE LYS 14 22.109 -7.700 -2.621 115 HZ1 LYS 14 3HZ LYS 14 23.330 -9.694 -1.752 116 HZ2 LYS 14 1HZ LYS 14 21.851 -9.369 -0.997 117 HZ3 LYS 14 2HZ LYS 14 23.301 -8.970 -0.224 118 H GLY 15 H GLY 15 24.025 -4.990 -0.661 119 HA2 GLY 15 2HA GLY 15 24.877 -3.761 1.104 120 HA3 GLY 15 3HA GLY 15 24.444 -2.293 0.241 121 H TYR 16 H TYR 16 23.912 -1.714 2.555 122 HA TYR 16 HA TYR 16 21.498 -2.850 3.647 123 HB2 TYR 16 2HB TYR 16 23.482 -1.876 4.964 124 HB3 TYR 16 3HB TYR 16 22.806 -0.299 4.572 125 HD1 TYR 16 HD2 TYR 16 20.666 0.408 5.525 126 HD2 TYR 16 HD1 TYR 16 22.402 -3.339 6.553 127 HE1 TYR 16 HE2 TYR 16 19.144 0.237 7.450 128 HE2 TYR 16 HE1 TYR 16 20.884 -3.520 8.480 129 HH TYR 16 HH TYR 16 18.228 -1.349 8.937 130 H SER 17 H SER 17 19.477 -2.173 3.339 131 HA SER 17 HA SER 17 19.022 0.095 1.574 132 HB2 SER 17 2HB SER 17 16.618 -1.222 2.537 133 HB3 SER 17 3HB SER 17 17.213 -1.046 0.886 134 HG SER 17 HG SER 17 17.214 -3.209 1.336 135 H VAL 18 H VAL 18 17.883 1.924 2.099 136 HA VAL 18 HA VAL 18 17.031 2.229 4.897 137 HB VAL 18 HB VAL 18 18.636 4.255 3.331 138 HG11 VAL 18 1HG1 VAL 18 16.947 5.322 4.729 139 HG12 VAL 18 2HG1 VAL 18 17.511 4.404 6.127 140 HG13 VAL 18 3HG1 VAL 18 18.565 5.601 5.373 141 HG21 VAL 18 3HG2 VAL 18 19.926 3.712 5.718 142 HG22 VAL 18 1HG2 VAL 18 19.371 2.131 5.166 143 HG23 VAL 18 2HG2 VAL 18 20.389 3.122 4.121 144 H GLU 19 H GLU 19 15.060 3.076 5.119 145 HA GLU 19 HA GLU 19 13.760 4.179 2.731 146 HB2 GLU 19 2HB GLU 19 11.645 3.693 3.865 147 HB3 GLU 19 3HB GLU 19 12.650 2.255 3.754 148 HG2 GLU 19 2HG GLU 19 12.839 3.894 6.218 149 HG3 GLU 19 3HG GLU 19 11.391 2.919 5.975 150 H LEU 20 H LEU 20 12.671 6.138 2.773 151 HA LEU 20 HA LEU 20 12.758 7.746 5.200 152 HB2 LEU 20 2HB LEU 20 13.584 9.579 3.338 153 HB3 LEU 20 3HB LEU 20 14.601 8.815 4.557 154 HG LEU 20 HG LEU 20 14.264 7.501 1.896 155 HD11 LEU 20 1HD1 LEU 20 16.610 9.027 1.784 156 HD12 LEU 20 2HD1 LEU 20 15.333 10.136 2.283 157 HD13 LEU 20 3HD1 LEU 20 15.159 9.205 0.795 158 HD21 LEU 20 3HD2 LEU 20 16.885 7.609 3.151 159 HD22 LEU 20 1HD2 LEU 20 15.951 6.220 2.594 160 HD23 LEU 20 2HD2 LEU 20 15.655 6.897 4.196 161 HA PRO 21 HA PRO 21 8.774 8.417 3.156 162 HB2 PRO 21 2HB PRO 21 7.518 9.243 5.417 163 HB3 PRO 21 3HB PRO 21 7.769 7.537 5.026 164 HG2 PRO 21 2HG PRO 21 9.335 9.310 6.861 165 HG3 PRO 21 3HG PRO 21 8.809 7.634 7.104 166 HD2 PRO 21 2HD PRO 21 11.331 8.276 6.356 167 HD3 PRO 21 3HD PRO 21 10.533 6.777 5.836 168 H VAL 22 H VAL 22 7.246 10.364 3.283 169 HA VAL 22 HA VAL 22 8.318 12.621 2.302 170 HB VAL 22 HB VAL 22 5.931 12.381 2.402 171 HG11 VAL 22 1HG1 VAL 22 4.887 11.674 4.227 172 HG12 VAL 22 2HG1 VAL 22 6.404 11.767 5.125 173 HG13 VAL 22 3HG1 VAL 22 5.323 13.160 5.070 174 HG21 VAL 22 3HG2 VAL 22 5.284 14.610 2.957 175 HG22 VAL 22 1HG2 VAL 22 6.637 14.785 4.075 176 HG23 VAL 22 2HG2 VAL 22 6.935 14.678 2.340 177 H GLY 23 H GLY 23 9.895 13.908 2.982 178 HA2 GLY 23 2HA GLY 23 9.937 15.601 5.069 179 HA3 GLY 23 3HA GLY 23 10.522 14.116 5.805 180 H ASP 24 H ASP 24 12.250 16.031 6.013 181 HA ASP 24 HA ASP 24 14.176 15.629 3.817 182 HB2 ASP 24 2HB ASP 24 15.102 17.875 5.006 183 HB3 ASP 24 3HB ASP 24 13.984 17.884 3.645 184 H TYR 25 H TYR 25 16.272 15.108 4.327 185 HA TYR 25 HA TYR 25 16.892 14.725 7.178 186 HB2 TYR 25 2HB TYR 25 17.803 12.798 5.052 187 HB3 TYR 25 3HB TYR 25 17.797 12.577 6.798 188 HD1 TYR 25 HD2 TYR 25 15.529 12.966 3.874 189 HD2 TYR 25 HD1 TYR 25 16.000 11.508 7.843 190 HE1 TYR 25 HE2 TYR 25 13.342 11.851 3.717 191 HE2 TYR 25 HE1 TYR 25 13.815 10.388 7.697 192 HH TYR 25 HH TYR 25 11.557 10.967 6.042 193 H ASN 26 H ASN 26 18.795 15.525 7.808 194 HA ASN 26 HA ASN 26 20.517 16.738 5.801 195 HB2 ASN 26 2HB ASN 26 20.955 16.855 8.777 196 HB3 ASN 26 3HB ASN 26 21.454 18.013 7.547 197 HD21 ASN 26 1HD2 ASN 26 20.184 19.697 7.140 198 HD22 ASN 26 2HD2 ASN 26 18.587 19.915 7.761 199 H LEU 27 H LEU 27 22.973 16.698 6.968 200 HA LEU 27 HA LEU 27 24.030 14.240 6.154 201 HB2 LEU 27 2HB LEU 27 25.510 16.033 6.115 202 HB3 LEU 27 3HB LEU 27 25.100 16.531 7.755 203 HG LEU 27 HG LEU 27 26.387 13.894 7.539 204 HD11 LEU 27 1HD1 LEU 27 27.951 16.404 6.952 205 HD12 LEU 27 2HD1 LEU 27 27.584 15.132 5.787 206 HD13 LEU 27 3HD1 LEU 27 28.610 14.783 7.178 207 HD21 LEU 27 3HD2 LEU 27 27.783 15.148 9.363 208 HD22 LEU 27 1HD2 LEU 27 26.144 14.599 9.713 209 HD23 LEU 27 2HD2 LEU 27 26.441 16.292 9.314 210 H SER 28 H SER 28 23.438 15.499 9.425 211 HA SER 28 HA SER 28 24.352 13.158 10.752 212 HB2 SER 28 2HB SER 28 23.407 15.744 11.497 213 HB3 SER 28 3HB SER 28 22.468 14.544 12.385 214 HG SER 28 HG SER 28 24.299 13.772 13.299 215 H SER 29 H SER 29 21.337 14.104 9.330 216 HA SER 29 HA SER 29 19.736 12.161 10.707 217 HB2 SER 29 2HB SER 29 18.929 14.351 9.632 218 HB3 SER 29 3HB SER 29 19.013 13.487 8.097 219 HG SER 29 HG SER 29 17.619 12.395 10.288 220 H LEU 30 H LEU 30 21.632 12.247 7.792 221 HA LEU 30 HA LEU 30 20.508 10.058 6.440 222 HB2 LEU 30 2HB LEU 30 23.055 11.548 6.350 223 HB3 LEU 30 3HB LEU 30 23.082 9.921 5.672 224 HG LEU 30 HG LEU 30 20.946 11.803 4.788 225 HD11 LEU 30 1HD1 LEU 30 23.243 12.956 4.765 226 HD12 LEU 30 2HD1 LEU 30 22.295 12.949 3.279 227 HD13 LEU 30 3HD1 LEU 30 23.638 11.823 3.472 228 HD21 LEU 30 3HD2 LEU 30 21.678 9.230 4.138 229 HD22 LEU 30 1HD2 LEU 30 22.380 10.191 2.836 230 HD23 LEU 30 2HD2 LEU 30 20.651 10.292 3.173 231 H ILE 31 H ILE 31 23.347 10.194 8.590 232 HA ILE 31 HA ILE 31 23.771 7.391 8.598 233 HB ILE 31 HB ILE 31 24.678 9.492 10.567 234 HG12 ILE 31 2HG1 ILE 31 26.898 8.766 9.244 235 HG13 ILE 31 3HG1 ILE 31 25.712 8.457 7.980 236 HG21 ILE 31 1HG2 ILE 31 26.483 7.606 10.917 237 HG22 ILE 31 2HG2 ILE 31 24.966 7.598 11.814 238 HG23 ILE 31 3HG2 ILE 31 25.159 6.562 10.400 239 HD11 ILE 31 3HD1 ILE 31 26.853 10.757 8.093 240 HD12 ILE 31 1HD1 ILE 31 25.111 10.685 7.827 241 HD13 ILE 31 2HD1 ILE 31 25.744 11.069 9.428 242 H SER 32 H SER 32 21.718 9.507 10.429 243 HA SER 32 HA SER 32 21.277 8.008 12.727 244 HB2 SER 32 2HB SER 32 19.574 9.469 13.157 245 HB3 SER 32 3HB SER 32 20.327 10.361 11.835 246 HG SER 32 HG SER 32 18.475 10.172 10.879 247 H ARG 33 H ARG 33 20.234 7.459 9.474 248 HA ARG 33 HA ARG 33 18.492 5.265 10.379 249 HB2 ARG 33 2HB ARG 33 18.546 6.684 7.709 250 HB3 ARG 33 3HB ARG 33 17.455 5.377 8.150 251 HG2 ARG 33 2HG ARG 33 16.454 6.772 9.874 252 HG3 ARG 33 3HG ARG 33 17.569 8.080 9.472 253 HD2 ARG 33 2HD ARG 33 16.362 8.710 7.695 254 HD3 ARG 33 3HD ARG 33 16.115 7.047 7.164 255 HE ARG 33 HE ARG 33 14.318 8.650 8.721 256 HH11 ARG 33 1HH1 ARG 33 15.318 5.399 7.979 257 HH12 ARG 33 2HH1 ARG 33 13.798 4.692 8.416 258 HH21 ARG 33 1HH2 ARG 33 12.311 7.732 9.300 259 HH22 ARG 33 2HH2 ARG 33 12.088 6.020 9.166 260 H GLY 34 H GLY 34 21.502 5.378 9.978 261 HA2 GLY 34 2HA GLY 34 23.064 3.783 9.394 262 HA3 GLY 34 3HA GLY 34 21.748 2.779 8.805 263 H ALA 35 H ALA 35 22.625 6.047 7.770 264 HA ALA 35 HA ALA 35 23.464 4.954 5.174 265 HB1 ALA 35 1HB ALA 35 21.028 5.877 5.311 266 HB2 ALA 35 2HB ALA 35 21.826 7.449 5.247 267 HB3 ALA 35 3HB ALA 35 22.054 6.291 3.937 268 H LEU 36 H LEU 36 25.436 5.643 4.703 269 HA LEU 36 HA LEU 36 26.618 7.857 6.115 270 HB2 LEU 36 2HB LEU 36 27.560 5.552 4.881 271 HB3 LEU 36 3HB LEU 36 28.154 6.866 3.868 272 HG LEU 36 HG LEU 36 29.802 6.194 5.541 273 HD11 LEU 36 1HD1 LEU 36 29.556 8.575 4.752 274 HD12 LEU 36 2HD1 LEU 36 30.388 8.358 6.292 275 HD13 LEU 36 3HD1 LEU 36 28.710 8.901 6.266 276 HD21 LEU 36 3HD2 LEU 36 27.837 5.642 7.207 277 HD22 LEU 36 1HD2 LEU 36 28.127 7.299 7.737 278 HD23 LEU 36 2HD2 LEU 36 29.432 6.114 7.797 279 H ASN 37 H ASN 37 27.150 9.847 5.336 280 HA ASN 37 HA ASN 37 25.612 11.053 3.390 281 HB2 ASN 37 2HB ASN 37 28.412 11.960 4.055 282 HB3 ASN 37 3HB ASN 37 27.034 12.951 3.585 283 HD21 ASN 37 1HD2 ASN 37 25.055 12.040 5.185 284 HD22 ASN 37 2HD2 ASN 37 25.441 12.335 6.843 285 H ASP 38 H ASP 38 29.045 10.137 3.049 286 HA ASP 38 HA ASP 38 28.707 10.201 0.135 287 HB2 ASP 38 2HB ASP 38 31.345 9.886 1.540 288 HB3 ASP 38 3HB ASP 38 31.017 10.544 -0.061 289 H ASP 39 H ASP 39 27.692 8.213 -0.165 290 HA ASP 39 HA ASP 39 29.388 5.993 -0.519 291 HB2 ASP 39 2HB ASP 39 29.309 5.723 1.873 292 HB3 ASP 39 3HB ASP 39 27.555 5.881 1.882 293 H LEU 40 H LEU 40 26.113 7.192 -0.080 294 HA LEU 40 HA LEU 40 24.617 5.176 -1.206 295 HB2 LEU 40 2HB LEU 40 24.340 8.079 -0.893 296 HB3 LEU 40 3HB LEU 40 23.385 7.392 -2.205 297 HG LEU 40 HG LEU 40 22.210 5.960 -0.674 298 HD11 LEU 40 1HD1 LEU 40 24.471 6.523 1.035 299 HD12 LEU 40 2HD1 LEU 40 23.286 5.221 1.123 300 HD13 LEU 40 3HD1 LEU 40 22.940 6.779 1.874 301 HD21 LEU 40 3HD2 LEU 40 22.383 8.737 0.490 302 HD22 LEU 40 1HD2 LEU 40 21.038 7.606 0.647 303 HD23 LEU 40 2HD2 LEU 40 21.434 8.290 -0.929 304 H SER 41 H SER 41 24.698 4.189 -3.103 305 HA SER 41 HA SER 41 25.527 5.729 -5.469 306 HB2 SER 41 2HB SER 41 26.394 2.927 -4.725 307 HB3 SER 41 3HB SER 41 26.681 3.670 -6.298 308 HG SER 41 HG SER 41 28.268 3.816 -4.308 309 H SER 42 H SER 42 23.073 4.171 -4.045 310 HA SER 42 HA SER 42 21.785 3.609 -6.600 311 HB2 SER 42 2HB SER 42 22.488 1.411 -6.142 312 HB3 SER 42 3HB SER 42 22.201 1.584 -4.411 313 HG SER 42 HG SER 42 20.604 0.367 -5.778 314 H ALA 43 H ALA 43 19.525 3.740 -6.545 315 HA ALA 43 HA ALA 43 18.132 4.204 -4.068 316 HB1 ALA 43 1HB ALA 43 17.329 6.480 -4.775 317 HB2 ALA 43 2HB ALA 43 19.017 6.397 -4.267 318 HB3 ALA 43 3HB ALA 43 18.615 6.476 -5.982 319 H ARG 44 H ARG 44 16.244 3.222 -4.316 320 HA ARG 44 HA ARG 44 14.978 3.255 -6.977 321 HB2 ARG 44 2HB ARG 44 15.861 1.019 -6.281 322 HB3 ARG 44 3HB ARG 44 14.756 1.059 -4.914 323 HG2 ARG 44 2HG ARG 44 13.513 1.515 -7.535 324 HG3 ARG 44 3HG ARG 44 14.205 -0.090 -7.292 325 HD2 ARG 44 2HD ARG 44 12.917 -0.297 -5.201 326 HD3 ARG 44 3HD ARG 44 12.193 1.280 -5.511 327 HE ARG 44 HE ARG 44 11.734 -0.325 -7.744 328 HH11 ARG 44 1HH1 ARG 44 10.846 -0.187 -4.381 329 HH12 ARG 44 2HH1 ARG 44 9.317 -0.964 -4.618 330 HH21 ARG 44 1HH2 ARG 44 9.723 -1.349 -8.069 331 HH22 ARG 44 2HH2 ARG 44 8.679 -1.626 -6.716 332 H VAL 45 H VAL 45 13.472 4.818 -6.767 333 HA VAL 45 HA VAL 45 11.758 4.815 -4.384 334 HB VAL 45 HB VAL 45 11.079 7.040 -4.982 335 HG11 VAL 45 1HG1 VAL 45 13.822 7.634 -5.553 336 HG12 VAL 45 2HG1 VAL 45 12.925 7.848 -4.048 337 HG13 VAL 45 3HG1 VAL 45 13.729 6.315 -4.386 338 HG21 VAL 45 3HG2 VAL 45 10.843 7.233 -7.242 339 HG22 VAL 45 1HG2 VAL 45 12.407 8.025 -7.053 340 HG23 VAL 45 2HG2 VAL 45 12.328 6.346 -7.586 341 HA PRO 46 HA PRO 46 8.302 3.182 -6.550 342 HB2 PRO 46 2HB PRO 46 6.267 4.401 -5.228 343 HB3 PRO 46 3HB PRO 46 7.232 3.102 -4.518 344 HG2 PRO 46 2HG PRO 46 7.463 6.062 -4.132 345 HG3 PRO 46 3HG PRO 46 7.556 4.766 -2.925 346 HD2 PRO 46 2HD PRO 46 9.757 5.980 -3.932 347 HD3 PRO 46 3HD PRO 46 9.749 4.275 -3.438 348 H SER 47 H SER 47 6.321 3.830 -7.756 349 HA SER 47 HA SER 47 6.911 6.084 -9.443 350 HB2 SER 47 2HB SER 47 4.863 3.897 -9.452 351 HB3 SER 47 3HB SER 47 4.611 5.320 -10.463 352 HG SER 47 HG SER 47 6.813 3.534 -10.519 353 H GLY 48 H GLY 48 6.380 8.090 -8.899 354 HA2 GLY 48 2HA GLY 48 4.537 9.673 -8.682 355 HA3 GLY 48 3HA GLY 48 3.769 8.528 -7.592 356 H LEU 49 H LEU 49 7.160 8.929 -7.252 357 HA LEU 49 HA LEU 49 6.729 10.693 -4.931 358 HB2 LEU 49 2HB LEU 49 7.290 8.183 -4.551 359 HB3 LEU 49 3HB LEU 49 8.922 8.660 -5.013 360 HG LEU 49 HG LEU 49 7.508 10.114 -2.814 361 HD11 LEU 49 1HD1 LEU 49 8.417 7.320 -2.782 362 HD12 LEU 49 2HD1 LEU 49 7.274 8.159 -1.733 363 HD13 LEU 49 3HD1 LEU 49 9.008 8.323 -1.457 364 HD21 LEU 49 3HD2 LEU 49 10.350 9.465 -2.617 365 HD22 LEU 49 1HD2 LEU 49 9.520 11.007 -2.414 366 HD23 LEU 49 2HD2 LEU 49 9.935 10.436 -4.031 367 H ARG 50 H ARG 50 8.017 12.433 -4.769 368 HA ARG 50 HA ARG 50 10.144 12.726 -6.781 369 HB2 ARG 50 2HB ARG 50 8.063 14.328 -6.577 370 HB3 ARG 50 3HB ARG 50 9.009 15.051 -5.283 371 HG2 ARG 50 2HG ARG 50 10.125 16.230 -6.782 372 HG3 ARG 50 3HG ARG 50 10.734 14.734 -7.493 373 HD2 ARG 50 2HD ARG 50 8.940 14.626 -9.031 374 HD3 ARG 50 3HD ARG 50 8.037 15.875 -8.175 375 HE ARG 50 HE ARG 50 10.533 16.865 -9.097 376 HH11 ARG 50 1HH1 ARG 50 7.327 16.021 -10.158 377 HH12 ARG 50 2HH1 ARG 50 7.338 17.122 -11.496 378 HH21 ARG 50 1HH2 ARG 50 10.561 18.318 -10.855 379 HH22 ARG 50 2HH2 ARG 50 9.179 18.427 -11.892 380 H LEU 51 H LEU 51 12.191 13.276 -6.188 381 HA LEU 51 HA LEU 51 12.723 13.824 -3.357 382 HB2 LEU 51 2HB LEU 51 14.299 11.836 -4.980 383 HB3 LEU 51 3HB LEU 51 14.522 12.234 -3.278 384 HG LEU 51 HG LEU 51 12.010 11.355 -3.154 385 HD11 LEU 51 1HD1 LEU 51 11.762 10.905 -5.507 386 HD12 LEU 51 2HD1 LEU 51 11.775 9.381 -4.621 387 HD13 LEU 51 3HD1 LEU 51 13.211 9.898 -5.504 388 HD21 LEU 51 3HD2 LEU 51 14.125 9.262 -3.329 389 HD22 LEU 51 1HD2 LEU 51 12.859 9.489 -2.123 390 HD23 LEU 51 2HD2 LEU 51 14.276 10.539 -2.121 391 H GLU 52 H GLU 52 14.784 14.826 -2.955 392 HA GLU 52 HA GLU 52 16.145 15.908 -5.314 393 HB2 GLU 52 2HB GLU 52 15.207 17.602 -2.991 394 HB3 GLU 52 3HB GLU 52 16.145 18.163 -4.369 395 HG2 GLU 52 2HG GLU 52 14.125 18.784 -5.127 396 HG3 GLU 52 3HG GLU 52 14.054 17.106 -5.663 397 H VAL 53 H VAL 53 18.249 15.560 -5.138 398 HA VAL 53 HA VAL 53 19.402 14.921 -2.545 399 HB VAL 53 HB VAL 53 20.764 14.916 -5.240 400 HG11 VAL 53 1HG1 VAL 53 22.184 13.178 -3.978 401 HG12 VAL 53 2HG1 VAL 53 22.438 14.887 -3.620 402 HG13 VAL 53 3HG1 VAL 53 21.489 13.886 -2.521 403 HG21 VAL 53 3HG2 VAL 53 18.892 13.014 -3.999 404 HG22 VAL 53 1HG2 VAL 53 19.304 13.262 -5.696 405 HG23 VAL 53 2HG2 VAL 53 20.365 12.304 -4.662 406 H PHE 54 H PHE 54 20.802 16.164 -1.434 407 HA PHE 54 HA PHE 54 21.722 18.662 -2.694 408 HB2 PHE 54 2HB PHE 54 20.976 18.434 0.220 409 HB3 PHE 54 3HB PHE 54 21.286 19.897 -0.708 410 HD1 PHE 54 HD1 PHE 54 19.677 19.508 -3.097 411 HD2 PHE 54 HD2 PHE 54 18.796 18.576 0.961 412 HE1 PHE 54 HE1 PHE 54 17.273 19.715 -3.575 413 HE2 PHE 54 HE2 PHE 54 16.390 18.780 0.489 414 HZ PHE 54 HZ PHE 54 15.626 19.350 -1.781 415 H GLN 55 H GLN 55 23.827 18.233 -3.036 416 HA GLN 55 HA GLN 55 25.496 16.562 -1.619 417 HB2 GLN 55 2HB GLN 55 26.170 19.102 -3.108 418 HB3 GLN 55 3HB GLN 55 27.371 17.953 -2.534 419 HG2 GLN 55 2HG GLN 55 27.161 16.867 -4.445 420 HG3 GLN 55 3HG GLN 55 25.518 16.438 -3.972 421 HE21 GLN 55 1HE2 GLN 55 24.244 16.725 -5.653 422 HE22 GLN 55 2HE2 GLN 55 24.230 18.102 -6.696 423 H HIS 56 H HIS 56 24.657 19.911 -0.960 424 HA HIS 56 HA HIS 56 26.218 19.752 1.535 425 HB2 HIS 56 2HB HIS 56 25.578 22.114 -0.229 426 HB3 HIS 56 3HB HIS 56 26.145 22.302 1.427 427 HD1 HIS 56 HD1 HIS 56 28.487 20.676 1.775 428 HD2 HIS 56 HD2 HIS 56 27.641 22.329 -1.941 429 HE1 HIS 56 HE1 HIS 56 30.675 20.699 0.536 430 H ASN 57 H ASN 57 25.239 20.273 3.447 431 HA ASN 57 HA ASN 57 22.442 19.979 3.630 432 HB2 ASN 57 2HB ASN 57 22.766 20.588 6.029 433 HB3 ASN 57 3HB ASN 57 23.854 19.318 5.476 434 HD21 ASN 57 1HD2 ASN 57 25.988 19.605 5.655 435 HD22 ASN 57 2HD2 ASN 57 26.745 21.058 6.205 436 H ASN 58 H ASN 58 21.040 21.588 4.843 437 HA ASN 58 HA ASN 58 19.965 23.591 4.916 438 HB2 ASN 58 2HB ASN 58 22.344 24.211 5.820 439 HB3 ASN 58 3HB ASN 58 22.513 25.035 4.272 440 HD21 ASN 58 1HD2 ASN 58 22.454 27.106 4.907 441 HD22 ASN 58 2HD2 ASN 58 21.123 27.844 5.725 442 H PHE 59 H PHE 59 20.205 22.155 2.423 443 HA PHE 59 HA PHE 59 19.834 22.389 0.186 444 HB2 PHE 59 2HB PHE 59 18.433 24.689 1.458 445 HB3 PHE 59 3HB PHE 59 18.567 24.683 -0.297 446 HD1 PHE 59 HD2 PHE 59 17.656 22.346 2.466 447 HD2 PHE 59 HD1 PHE 59 16.858 23.724 -1.481 448 HE1 PHE 59 HE2 PHE 59 15.727 20.825 2.329 449 HE2 PHE 59 HE1 PHE 59 14.927 22.206 -1.624 450 HZ PHE 59 HZ PHE 59 14.360 20.753 0.282 451 H LYS 60 H LYS 60 22.387 23.340 1.204 452 HA LYS 60 HA LYS 60 23.035 25.706 -0.329 453 HB2 LYS 60 2HB LYS 60 24.080 25.234 1.878 454 HB3 LYS 60 3HB LYS 60 24.869 23.829 1.174 455 HG2 LYS 60 2HG LYS 60 25.339 26.290 -0.318 456 HG3 LYS 60 3HG LYS 60 25.933 26.341 1.344 457 HD2 LYS 60 2HD LYS 60 27.015 24.091 0.862 458 HD3 LYS 60 3HD LYS 60 26.655 24.399 -0.838 459 HE2 LYS 60 2HE LYS 60 27.823 26.728 -0.191 460 HE3 LYS 60 3HE LYS 60 28.642 25.662 0.949 461 HZ1 LYS 60 3HZ LYS 60 29.597 26.017 -1.424 462 HZ2 LYS 60 1HZ LYS 60 28.443 24.862 -1.870 463 HZ3 LYS 60 2HZ LYS 60 29.627 24.476 -0.727 464 H GLY 61 H GLY 61 24.541 25.783 -2.053 465 HA2 GLY 61 2HA GLY 61 25.685 24.997 -3.900 466 HA3 GLY 61 3HA GLY 61 25.567 23.375 -3.232 467 H VAL 62 H VAL 62 25.239 22.939 -5.599 468 HA VAL 62 HA VAL 62 22.751 23.693 -6.796 469 HB VAL 62 HB VAL 62 23.335 22.047 -8.549 470 HG11 VAL 62 1HG1 VAL 62 25.281 23.213 -9.393 471 HG12 VAL 62 2HG1 VAL 62 24.187 24.361 -8.618 472 HG13 VAL 62 3HG1 VAL 62 25.645 23.828 -7.781 473 HG21 VAL 62 3HG2 VAL 62 25.142 21.116 -6.471 474 HG22 VAL 62 1HG2 VAL 62 24.558 20.290 -7.915 475 HG23 VAL 62 2HG2 VAL 62 25.955 21.361 -8.016 476 H ARG 63 H ARG 63 20.823 22.764 -6.586 477 HA ARG 63 HA ARG 63 20.590 20.356 -4.968 478 HB2 ARG 63 2HB ARG 63 18.192 20.858 -4.934 479 HB3 ARG 63 3HB ARG 63 19.141 22.256 -4.446 480 HG2 ARG 63 2HG ARG 63 18.873 23.214 -6.682 481 HG3 ARG 63 3HG ARG 63 17.906 21.816 -7.157 482 HD2 ARG 63 2HD ARG 63 16.243 23.279 -6.585 483 HD3 ARG 63 3HD ARG 63 16.505 22.485 -5.033 484 HE ARG 63 HE ARG 63 18.178 24.733 -5.204 485 HH11 ARG 63 1HH1 ARG 63 14.806 23.916 -4.914 486 HH12 ARG 63 2HH1 ARG 63 14.392 25.371 -4.068 487 HH21 ARG 63 1HH2 ARG 63 17.646 26.651 -4.091 488 HH22 ARG 63 2HH2 ARG 63 16.008 26.926 -3.601 489 H ASP 64 H ASP 64 19.865 18.412 -5.676 490 HA ASP 64 HA ASP 64 19.518 18.127 -8.580 491 HB2 ASP 64 2HB ASP 64 21.276 16.822 -7.032 492 HB3 ASP 64 3HB ASP 64 19.900 15.734 -6.860 493 H PHE 65 H PHE 65 18.159 15.994 -9.036 494 HA PHE 65 HA PHE 65 15.881 15.694 -7.280 495 HB2 PHE 65 2HB PHE 65 14.265 16.237 -9.150 496 HB3 PHE 65 3HB PHE 65 15.102 17.619 -8.450 497 HD1 PHE 65 HD2 PHE 65 16.857 18.772 -9.700 498 HD2 PHE 65 HD1 PHE 65 14.644 15.565 -11.413 499 HE1 PHE 65 HE2 PHE 65 17.637 19.434 -11.938 500 HE2 PHE 65 HE1 PHE 65 15.421 16.221 -13.653 501 HZ PHE 65 HZ PHE 65 16.918 18.159 -13.918 502 H TYR 66 H TYR 66 14.644 13.851 -7.722 503 HA TYR 66 HA TYR 66 15.215 12.234 -10.044 504 HB2 TYR 66 2HB TYR 66 16.441 11.683 -7.415 505 HB3 TYR 66 3HB TYR 66 15.675 10.301 -8.190 506 HD1 TYR 66 HD1 TYR 66 16.237 10.471 -10.950 507 HD2 TYR 66 HD2 TYR 66 18.724 11.647 -7.704 508 HE1 TYR 66 HE1 TYR 66 18.223 10.160 -12.366 509 HE2 TYR 66 HE2 TYR 66 20.717 11.340 -9.112 510 HH TYR 66 HH TYR 66 21.409 11.129 -11.302 511 H THR 67 H THR 67 13.428 11.186 -10.615 512 HA THR 67 HA THR 67 11.439 10.544 -8.541 513 HB THR 67 HB THR 67 10.633 11.438 -11.301 514 HG1 THR 67 HG1 THR 67 11.646 13.228 -10.459 515 HG21 THR 67 3HG2 THR 67 8.521 11.235 -10.562 516 HG22 THR 67 1HG2 THR 67 8.900 11.959 -9.000 517 HG23 THR 67 2HG2 THR 67 9.218 10.247 -9.279 518 H SER 68 H SER 68 13.336 8.740 -9.503 519 HA SER 68 HA SER 68 11.652 6.622 -10.387 520 HB2 SER 68 2HB SER 68 12.364 8.084 -12.495 521 HB3 SER 68 3HB SER 68 13.832 7.115 -12.363 522 HG SER 68 HG SER 68 11.175 6.151 -12.628 523 H ASP 69 H ASP 69 13.077 4.629 -10.951 524 HA ASP 69 HA ASP 69 14.793 4.182 -8.736 525 HB2 ASP 69 2HB ASP 69 13.608 2.297 -9.527 526 HB3 ASP 69 3HB ASP 69 14.120 2.571 -11.191 527 H ALA 70 H ALA 70 16.438 5.748 -8.896 528 HA ALA 70 HA ALA 70 18.221 5.646 -11.197 529 HB1 ALA 70 1HB ALA 70 19.309 7.372 -9.293 530 HB2 ALA 70 2HB ALA 70 18.384 7.811 -10.730 531 HB3 ALA 70 3HB ALA 70 17.563 7.597 -9.183 532 H ALA 71 H ALA 71 20.052 4.517 -11.249 533 HA ALA 71 HA ALA 71 20.983 3.261 -8.762 534 HB1 ALA 71 1HB ALA 71 21.715 1.468 -9.977 535 HB2 ALA 71 2HB ALA 71 20.366 1.994 -10.986 536 HB3 ALA 71 3HB ALA 71 22.018 2.430 -11.424 537 H GLU 72 H GLU 72 21.620 5.966 -9.167 538 HA GLU 72 HA GLU 72 24.400 5.940 -8.746 539 HB2 GLU 72 2HB GLU 72 23.864 5.770 -11.419 540 HB3 GLU 72 3HB GLU 72 23.988 7.510 -11.200 541 HG2 GLU 72 2HG GLU 72 26.145 6.298 -9.817 542 HG3 GLU 72 3HG GLU 72 26.064 5.601 -11.434 543 H LEU 73 H LEU 73 24.261 7.342 -7.105 544 HA LEU 73 HA LEU 73 22.468 9.422 -6.790 545 HB2 LEU 73 2HB LEU 73 25.147 8.801 -5.657 546 HB3 LEU 73 3HB LEU 73 24.458 10.394 -5.351 547 HG LEU 73 HG LEU 73 24.096 8.673 -3.550 548 HD11 LEU 73 1HD1 LEU 73 22.470 10.697 -4.477 549 HD12 LEU 73 2HD1 LEU 73 22.329 9.874 -2.924 550 HD13 LEU 73 3HD1 LEU 73 21.369 9.331 -4.299 551 HD21 LEU 73 3HD2 LEU 73 22.165 7.522 -5.561 552 HD22 LEU 73 1HD2 LEU 73 22.372 7.007 -3.887 553 HD23 LEU 73 2HD2 LEU 73 23.676 6.767 -5.050 554 H SER 74 H SER 74 22.717 11.719 -6.936 555 HA SER 74 HA SER 74 23.513 12.667 -9.403 556 HB2 SER 74 2HB SER 74 21.997 13.924 -7.973 557 HB3 SER 74 3HB SER 74 23.283 14.190 -6.796 558 HG SER 74 HG SER 74 23.895 15.833 -7.935 559 H ARG 75 H ARG 75 25.392 12.223 -6.504 560 HA ARG 75 HA ARG 75 27.810 12.876 -8.005 561 HB2 ARG 75 2HB ARG 75 26.724 14.644 -6.119 562 HB3 ARG 75 3HB ARG 75 28.058 13.848 -5.294 563 HG2 ARG 75 2HG ARG 75 29.186 15.581 -6.224 564 HG3 ARG 75 3HG ARG 75 29.315 14.423 -7.550 565 HD2 ARG 75 2HD ARG 75 27.346 15.441 -8.609 566 HD3 ARG 75 3HD ARG 75 27.256 16.612 -7.294 567 HE ARG 75 HE ARG 75 29.806 16.803 -8.356 568 HH11 ARG 75 1HH1 ARG 75 26.528 17.274 -9.430 569 HH12 ARG 75 2HH1 ARG 75 26.945 18.492 -10.589 570 HH21 ARG 75 1HH2 ARG 75 30.368 18.405 -9.878 571 HH22 ARG 75 2HH2 ARG 75 29.130 19.134 -10.844 572 H ASP 76 H ASP 76 29.233 11.289 -7.779 573 HA ASP 76 HA ASP 76 28.861 9.026 -6.232 574 HB2 ASP 76 2HB ASP 76 30.569 9.640 -8.190 575 HB3 ASP 76 3HB ASP 76 31.663 9.837 -6.823 576 H ASN 77 H ASN 77 28.759 8.875 -4.096 577 HA ASN 77 HA ASN 77 29.107 9.269 -1.876 578 HB2 ASN 77 2HB ASN 77 31.995 9.790 -2.495 579 HB3 ASN 77 3HB ASN 77 31.290 8.892 -1.154 580 HD21 ASN 77 1HD2 ASN 77 29.788 7.029 -2.144 581 HD22 ASN 77 2HD2 ASN 77 30.633 6.000 -3.245 582 H ASP 78 H ASP 78 27.901 11.315 -2.177 583 HA ASP 78 HA ASP 78 29.108 13.428 -0.805 584 HB2 ASP 78 2HB ASP 78 29.496 13.466 -3.704 585 HB3 ASP 78 3HB ASP 78 28.734 14.931 -3.091 586 H ALA 79 H ALA 79 27.116 13.175 0.274 587 HA ALA 79 HA ALA 79 24.986 14.783 -0.861 588 HB1 ALA 79 1HB ALA 79 23.708 12.470 0.217 589 HB2 ALA 79 2HB ALA 79 23.598 13.143 -1.410 590 HB3 ALA 79 3HB ALA 79 24.857 11.970 -1.024 591 H SER 80 H SER 80 25.323 16.233 0.807 592 HA SER 80 HA SER 80 25.536 15.510 3.533 593 HB2 SER 80 2HB SER 80 24.893 18.103 2.135 594 HB3 SER 80 3HB SER 80 24.935 17.980 3.894 595 HG SER 80 HG SER 80 27.127 16.943 3.366 596 H SER 81 H SER 81 22.844 17.163 1.870 597 HA SER 81 HA SER 81 20.998 15.795 3.716 598 HB2 SER 81 2HB SER 81 21.047 18.078 4.419 599 HB3 SER 81 3HB SER 81 20.944 18.661 2.758 600 HG SER 81 HG SER 81 18.949 17.605 4.410 601 H VAL 82 H VAL 82 18.761 15.631 2.880 602 HA VAL 82 HA VAL 82 18.464 15.781 -0.010 603 HB VAL 82 HB VAL 82 17.581 13.400 -0.055 604 HG11 VAL 82 1HG1 VAL 82 20.477 13.238 0.542 605 HG12 VAL 82 2HG1 VAL 82 19.573 12.671 -0.864 606 HG13 VAL 82 3HG1 VAL 82 19.975 14.381 -0.704 607 HG21 VAL 82 3HG2 VAL 82 18.106 11.886 1.635 608 HG22 VAL 82 1HG2 VAL 82 19.312 12.956 2.350 609 HG23 VAL 82 2HG2 VAL 82 17.596 13.322 2.522 610 H ARG 83 H ARG 83 16.230 15.294 -0.702 611 HA ARG 83 HA ARG 83 14.262 15.649 1.453 612 HB2 ARG 83 2HB ARG 83 14.948 17.542 -0.584 613 HB3 ARG 83 3HB ARG 83 13.300 16.989 -0.851 614 HG2 ARG 83 2HG ARG 83 14.377 18.155 1.708 615 HG3 ARG 83 3HG ARG 83 13.353 18.985 0.535 616 HD2 ARG 83 2HD ARG 83 11.782 16.911 0.952 617 HD3 ARG 83 3HD ARG 83 12.671 16.829 2.472 618 HE ARG 83 HE ARG 83 11.582 18.719 3.177 619 HH11 ARG 83 1HH1 ARG 83 11.120 18.331 -0.251 620 HH12 ARG 83 2HH1 ARG 83 9.939 19.594 -0.367 621 HH21 ARG 83 1HH2 ARG 83 10.029 20.384 3.038 622 HH22 ARG 83 2HH2 ARG 83 9.320 20.761 1.505 623 H VAL 84 H VAL 84 12.455 14.442 1.278 624 HA VAL 84 HA VAL 84 11.903 13.096 -1.273 625 HB VAL 84 HB VAL 84 11.574 10.969 -0.248 626 HG11 VAL 84 1HG1 VAL 84 14.092 11.712 1.127 627 HG12 VAL 84 2HG1 VAL 84 13.755 10.385 0.013 628 HG13 VAL 84 3HG1 VAL 84 13.994 12.020 -0.607 629 HG21 VAL 84 3HG2 VAL 84 11.691 12.535 2.268 630 HG22 VAL 84 1HG2 VAL 84 10.644 11.190 1.817 631 HG23 VAL 84 2HG2 VAL 84 12.310 10.884 2.306 632 H SER 85 H SER 85 9.781 12.894 -1.775 633 HA SER 85 HA SER 85 7.706 13.077 0.200 634 HB2 SER 85 2HB SER 85 8.071 15.360 -1.756 635 HB3 SER 85 3HB SER 85 6.664 15.129 -0.718 636 HG SER 85 HG SER 85 8.876 16.390 -0.119 637 H LYS 86 H LYS 86 5.558 12.835 -0.737 638 HA LYS 86 HA LYS 86 5.669 11.204 -3.150 639 HB2 LYS 86 2HB LYS 86 4.040 11.273 -0.761 640 HB3 LYS 86 3HB LYS 86 3.030 11.276 -2.201 641 HG2 LYS 86 2HG LYS 86 3.489 9.143 -2.665 642 HG3 LYS 86 3HG LYS 86 5.209 9.342 -2.320 643 HD2 LYS 86 2HD LYS 86 4.486 7.836 -0.690 644 HD3 LYS 86 3HD LYS 86 4.497 9.387 0.151 645 HE2 LYS 86 2HE LYS 86 2.015 8.384 -1.195 646 HE3 LYS 86 3HE LYS 86 2.453 7.827 0.419 647 HZ1 LYS 86 3HZ LYS 86 1.294 10.300 -0.375 648 HZ2 LYS 86 1HZ LYS 86 2.717 10.558 0.502 649 HZ3 LYS 86 2HZ LYS 86 1.463 9.645 1.176 650 H MET 87 H MET 87 5.280 12.085 -5.063 651 HA MET 87 HA MET 87 4.120 14.684 -5.337 652 HB2 MET 87 2HB MET 87 5.866 13.925 -6.862 653 HB3 MET 87 3HB MET 87 4.837 12.612 -7.419 654 HG2 MET 87 2HG MET 87 3.543 15.185 -7.688 655 HG3 MET 87 3HG MET 87 5.081 15.124 -8.545 656 HE1 MET 87 3HE MET 87 5.811 13.194 -9.828 657 HE2 MET 87 1HE MET 87 4.888 11.695 -9.720 658 HE3 MET 87 2HE MET 87 4.832 12.660 -11.195 659 H GLU 88 H GLU 88 3.135 11.712 -7.031 660 HA GLU 88 HA GLU 88 0.559 12.544 -7.633 661 HB2 GLU 88 2HB GLU 88 1.949 9.929 -7.499 662 HB3 GLU 88 3HB GLU 88 0.192 9.881 -7.492 663 HG2 GLU 88 2HG GLU 88 0.984 11.687 -9.517 664 HG3 GLU 88 3HG GLU 88 1.959 10.229 -9.686 665 H THR 89 H THR 89 1.850 11.275 -4.676 666 HA THR 89 HA THR 89 0.958 10.944 -2.607 667 HB THR 89 HB THR 89 -1.425 12.575 -3.459 668 HG1 THR 89 HG1 THR 89 0.806 13.470 -3.990 669 HG21 THR 89 3HG2 THR 89 -1.288 13.366 -1.120 670 HG22 THR 89 1HG2 THR 89 0.066 12.270 -0.850 671 HG23 THR 89 2HG2 THR 89 -1.531 11.623 -1.230 672 H THR 90 H THR 90 0.656 8.700 -3.494 673 HA THR 90 HA THR 90 -2.058 7.918 -4.120 674 HB THR 90 HB THR 90 0.041 5.892 -3.498 675 HG1 THR 90 HG1 THR 90 1.273 6.454 -5.141 676 HG21 THR 90 3HG2 THR 90 -2.285 5.321 -4.240 677 HG22 THR 90 1HG2 THR 90 -1.010 4.670 -5.269 678 HG23 THR 90 2HG2 THR 90 -1.919 6.092 -5.783 679 H ASN 91 H ASN 91 -3.519 7.690 -2.565 680 HA ASN 91 HA ASN 91 -2.770 7.278 0.180 681 HB2 ASN 91 2HB ASN 91 -5.038 7.626 0.705 682 HB3 ASN 91 3HB ASN 91 -4.755 8.657 -0.694 683 HD21 ASN 91 1HD2 ASN 91 -6.685 6.272 0.631 684 HD22 ASN 91 2HD2 ASN 91 -7.558 5.822 -0.791 Start of MODEL 5 1 H GLY 1 H GLY 1 0.918 -1.035 -0.878 2 HA2 GLY 1 2HA GLY 1 0.630 -0.388 1.673 3 HA3 GLY 1 3HA GLY 1 2.120 -1.140 1.125 4 H GLU 2 H GLU 2 2.951 0.035 3.054 5 HA GLU 2 HA GLU 2 3.059 2.777 3.338 6 HB2 GLU 2 2HB GLU 2 4.873 0.546 4.139 7 HB3 GLU 2 3HB GLU 2 5.444 2.198 4.328 8 HG2 GLU 2 2HG GLU 2 3.707 2.731 5.833 9 HG3 GLU 2 3HG GLU 2 2.826 1.254 5.451 10 H LYS 3 H LYS 3 3.854 4.354 2.129 11 HA LYS 3 HA LYS 3 5.627 3.713 -0.088 12 HB2 LYS 3 2HB LYS 3 3.593 5.659 0.406 13 HB3 LYS 3 3HB LYS 3 5.093 6.502 0.041 14 HG2 LYS 3 2HG LYS 3 4.666 6.179 -2.105 15 HG3 LYS 3 3HG LYS 3 4.929 4.453 -1.845 16 HD2 LYS 3 2HD LYS 3 2.413 4.598 -0.996 17 HD3 LYS 3 3HD LYS 3 2.394 5.981 -2.094 18 HE2 LYS 3 2HE LYS 3 3.684 3.996 -3.531 19 HE3 LYS 3 3HE LYS 3 2.404 3.136 -2.678 20 HZ1 LYS 3 3HZ LYS 3 2.015 5.542 -4.376 21 HZ2 LYS 3 1HZ LYS 3 0.795 4.677 -3.585 22 HZ3 LYS 3 2HZ LYS 3 1.669 3.952 -4.838 23 H THR 4 H THR 4 7.738 3.686 0.301 24 HA THR 4 HA THR 4 8.972 5.975 1.605 25 HB THR 4 HB THR 4 10.308 4.654 3.143 26 HG1 THR 4 HG1 THR 4 10.526 2.643 2.429 27 HG21 THR 4 3HG2 THR 4 7.378 3.981 3.433 28 HG22 THR 4 1HG2 THR 4 8.130 5.497 3.927 29 HG23 THR 4 2HG2 THR 4 8.578 3.989 4.725 30 H VAL 5 H VAL 5 11.249 6.141 1.208 31 HA VAL 5 HA VAL 5 12.016 4.859 -1.299 32 HB VAL 5 HB VAL 5 12.289 7.246 -1.262 33 HG11 VAL 5 1HG1 VAL 5 13.147 6.780 1.428 34 HG12 VAL 5 2HG1 VAL 5 14.380 7.702 0.565 35 HG13 VAL 5 3HG1 VAL 5 12.722 8.301 0.643 36 HG21 VAL 5 3HG2 VAL 5 14.123 5.615 -2.197 37 HG22 VAL 5 1HG2 VAL 5 14.394 7.358 -2.173 38 HG23 VAL 5 2HG2 VAL 5 15.109 6.336 -0.925 39 H LYS 6 H LYS 6 13.595 3.385 -1.494 40 HA LYS 6 HA LYS 6 14.962 2.535 0.960 41 HB2 LYS 6 2HB LYS 6 13.738 1.133 -1.215 42 HB3 LYS 6 3HB LYS 6 15.445 0.714 -1.162 43 HG2 LYS 6 2HG LYS 6 15.110 0.246 1.305 44 HG3 LYS 6 3HG LYS 6 13.377 0.356 0.984 45 HD2 LYS 6 2HD LYS 6 14.619 -1.337 -0.969 46 HD3 LYS 6 3HD LYS 6 15.061 -1.876 0.653 47 HE2 LYS 6 2HE LYS 6 12.420 -1.410 0.986 48 HE3 LYS 6 3HE LYS 6 12.448 -1.889 -0.711 49 HZ1 LYS 6 3HZ LYS 6 13.842 -3.508 1.322 50 HZ2 LYS 6 1HZ LYS 6 13.255 -3.977 -0.194 51 HZ3 LYS 6 2HZ LYS 6 12.178 -3.690 1.077 52 H LEU 7 H LEU 7 16.847 3.579 1.177 53 HA LEU 7 HA LEU 7 18.483 4.162 -1.159 54 HB2 LEU 7 2HB LEU 7 18.985 4.806 1.742 55 HB3 LEU 7 3HB LEU 7 19.870 5.443 0.357 56 HG LEU 7 HG LEU 7 17.009 6.034 1.108 57 HD11 LEU 7 1HD1 LEU 7 18.495 7.258 2.494 58 HD12 LEU 7 2HD1 LEU 7 17.932 8.367 1.244 59 HD13 LEU 7 3HD1 LEU 7 19.543 7.658 1.132 60 HD21 LEU 7 3HD2 LEU 7 18.614 6.968 -1.270 61 HD22 LEU 7 1HD2 LEU 7 17.020 7.564 -0.807 62 HD23 LEU 7 2HD2 LEU 7 17.221 5.886 -1.310 63 H TYR 8 H TYR 8 20.234 3.043 -1.745 64 HA TYR 8 HA TYR 8 21.265 1.012 0.126 65 HB2 TYR 8 2HB TYR 8 20.467 0.819 -2.712 66 HB3 TYR 8 3HB TYR 8 21.978 0.018 -2.297 67 HD1 TYR 8 HD1 TYR 8 21.918 -1.619 -0.300 68 HD2 TYR 8 HD2 TYR 8 18.434 -0.251 -2.323 69 HE1 TYR 8 HE1 TYR 8 20.663 -3.545 0.573 70 HE2 TYR 8 HE2 TYR 8 17.168 -2.172 -1.455 71 HH TYR 8 HH TYR 8 18.743 -4.684 0.487 72 H GLU 9 H GLU 9 23.465 0.765 0.300 73 HA GLU 9 HA GLU 9 25.054 3.000 -0.647 74 HB2 GLU 9 2HB GLU 9 26.741 2.251 0.875 75 HB3 GLU 9 3HB GLU 9 25.194 2.146 1.703 76 HG2 GLU 9 2HG GLU 9 25.351 -0.340 0.691 77 HG3 GLU 9 3HG GLU 9 27.064 0.021 0.902 78 H ASP 10 H ASP 10 24.761 -0.453 -1.174 79 HA ASP 10 HA ASP 10 27.043 -0.429 -3.004 80 HB2 ASP 10 2HB ASP 10 26.000 -2.355 -1.238 81 HB3 ASP 10 3HB ASP 10 25.683 -2.969 -2.859 82 H THR 11 H THR 11 26.867 -0.642 -5.173 83 HA THR 11 HA THR 11 24.603 0.167 -6.524 84 HB THR 11 HB THR 11 25.644 -0.546 -8.563 85 HG1 THR 11 HG1 THR 11 26.956 -2.362 -6.861 86 HG21 THR 11 3HG2 THR 11 28.154 -0.042 -7.137 87 HG22 THR 11 1HG2 THR 11 26.866 1.098 -6.751 88 HG23 THR 11 2HG2 THR 11 27.378 0.880 -8.424 89 H HIS 12 H HIS 12 23.214 -1.013 -8.020 90 HA HIS 12 HA HIS 12 21.691 -2.626 -8.525 91 HB2 HIS 12 2HB HIS 12 24.108 -3.938 -8.430 92 HB3 HIS 12 3HB HIS 12 23.123 -4.883 -7.317 93 HD1 HIS 12 HD1 HIS 12 20.661 -5.558 -8.442 94 HD2 HIS 12 HD2 HIS 12 23.834 -4.732 -10.994 95 HE1 HIS 12 HE1 HIS 12 20.038 -6.596 -10.646 96 H PHE 13 H PHE 13 21.723 -1.293 -5.898 97 HA PHE 13 HA PHE 13 20.685 -1.377 -3.871 98 HB2 PHE 13 2HB PHE 13 18.933 -3.496 -5.114 99 HB3 PHE 13 3HB PHE 13 18.506 -2.348 -3.850 100 HD1 PHE 13 HD2 PHE 13 19.071 0.212 -4.688 101 HD2 PHE 13 HD1 PHE 13 17.938 -3.087 -7.126 102 HE1 PHE 13 HE2 PHE 13 18.216 1.769 -6.391 103 HE2 PHE 13 HE1 PHE 13 17.082 -1.536 -8.834 104 HZ PHE 13 HZ PHE 13 17.219 0.895 -8.467 105 H LYS 14 H LYS 14 22.941 -2.735 -3.674 106 HA LYS 14 HA LYS 14 22.267 -5.299 -2.395 107 HB2 LYS 14 2HB LYS 14 24.405 -4.491 -4.140 108 HB3 LYS 14 3HB LYS 14 25.070 -5.035 -2.605 109 HG2 LYS 14 2HG LYS 14 25.008 -6.998 -3.773 110 HG3 LYS 14 3HG LYS 14 23.444 -7.052 -2.956 111 HD2 LYS 14 2HD LYS 14 22.469 -7.262 -4.943 112 HD3 LYS 14 3HD LYS 14 23.031 -5.638 -5.349 113 HE2 LYS 14 2HE LYS 14 23.941 -6.850 -7.072 114 HE3 LYS 14 3HE LYS 14 25.265 -6.890 -5.909 115 HZ1 LYS 14 3HZ LYS 14 24.743 -9.078 -5.298 116 HZ2 LYS 14 1HZ LYS 14 24.644 -9.067 -6.987 117 HZ3 LYS 14 2HZ LYS 14 23.232 -9.035 -6.057 118 H GLY 15 H GLY 15 23.127 -5.795 -0.343 119 HA2 GLY 15 2HA GLY 15 24.340 -5.281 1.634 120 HA3 GLY 15 3HA GLY 15 24.408 -3.601 1.122 121 H TYR 16 H TYR 16 23.411 -2.436 2.630 122 HA TYR 16 HA TYR 16 20.915 -3.463 3.789 123 HB2 TYR 16 2HB TYR 16 23.078 -2.502 5.085 124 HB3 TYR 16 3HB TYR 16 22.159 -1.013 4.897 125 HD1 TYR 16 HD2 TYR 16 22.212 -4.339 6.447 126 HD2 TYR 16 HD1 TYR 16 20.081 -0.675 6.080 127 HE1 TYR 16 HE2 TYR 16 20.833 -4.954 8.388 128 HE2 TYR 16 HE1 TYR 16 18.696 -1.279 8.021 129 HH TYR 16 HH TYR 16 18.199 -4.076 9.126 130 H SER 17 H SER 17 19.068 -2.147 3.925 131 HA SER 17 HA SER 17 19.032 0.082 1.998 132 HB2 SER 17 2HB SER 17 16.393 -0.885 2.468 133 HB3 SER 17 3HB SER 17 17.327 -0.944 0.973 134 HG SER 17 HG SER 17 16.759 -2.932 2.755 135 H VAL 18 H VAL 18 18.032 1.981 2.556 136 HA VAL 18 HA VAL 18 17.196 2.211 5.374 137 HB VAL 18 HB VAL 18 18.438 4.317 3.599 138 HG11 VAL 18 1HG1 VAL 18 17.523 5.824 4.949 139 HG12 VAL 18 2HG1 VAL 18 16.805 4.555 5.943 140 HG13 VAL 18 3HG1 VAL 18 18.437 5.130 6.287 141 HG21 VAL 18 3HG2 VAL 18 19.506 2.421 5.578 142 HG22 VAL 18 1HG2 VAL 18 20.307 3.234 4.233 143 HG23 VAL 18 2HG2 VAL 18 20.057 4.087 5.757 144 H GLU 19 H GLU 19 15.203 2.935 5.804 145 HA GLU 19 HA GLU 19 13.531 3.751 3.539 146 HB2 GLU 19 2HB GLU 19 11.625 3.243 5.024 147 HB3 GLU 19 3HB GLU 19 12.689 1.861 4.805 148 HG2 GLU 19 2HG GLU 19 13.130 3.635 7.147 149 HG3 GLU 19 3HG GLU 19 11.765 2.519 7.171 150 H LEU 20 H LEU 20 12.406 5.660 3.507 151 HA LEU 20 HA LEU 20 12.728 7.486 5.778 152 HB2 LEU 20 2HB LEU 20 13.108 8.413 2.948 153 HB3 LEU 20 3HB LEU 20 13.467 9.279 4.440 154 HG LEU 20 HG LEU 20 14.978 6.872 3.423 155 HD11 LEU 20 1HD1 LEU 20 15.581 9.818 3.301 156 HD12 LEU 20 2HD1 LEU 20 15.424 8.689 1.956 157 HD13 LEU 20 3HD1 LEU 20 16.794 8.560 3.060 158 HD21 LEU 20 3HD2 LEU 20 16.455 8.373 5.288 159 HD22 LEU 20 1HD2 LEU 20 15.804 6.745 5.477 160 HD23 LEU 20 2HD2 LEU 20 14.852 8.139 5.986 161 HA PRO 21 HA PRO 21 8.351 7.426 4.406 162 HB2 PRO 21 2HB PRO 21 7.350 7.760 6.907 163 HB3 PRO 21 3HB PRO 21 7.803 6.180 6.257 164 HG2 PRO 21 2HG PRO 21 9.336 7.985 8.088 165 HG3 PRO 21 3HG PRO 21 9.125 6.226 8.169 166 HD2 PRO 21 2HD PRO 21 11.366 7.381 7.182 167 HD3 PRO 21 3HD PRO 21 10.744 5.833 6.576 168 H VAL 22 H VAL 22 9.221 9.544 3.483 169 HA VAL 22 HA VAL 22 8.902 11.775 3.157 170 HB VAL 22 HB VAL 22 6.955 11.685 5.460 171 HG11 VAL 22 1HG1 VAL 22 7.805 13.718 3.601 172 HG12 VAL 22 2HG1 VAL 22 6.074 13.410 3.452 173 HG13 VAL 22 3HG1 VAL 22 6.760 13.855 5.015 174 HG21 VAL 22 3HG2 VAL 22 6.119 10.008 4.092 175 HG22 VAL 22 1HG2 VAL 22 5.281 11.441 3.496 176 HG23 VAL 22 2HG2 VAL 22 6.668 10.800 2.615 177 H GLY 23 H GLY 23 9.802 13.698 3.846 178 HA2 GLY 23 2HA GLY 23 10.384 15.099 5.824 179 HA3 GLY 23 3HA GLY 23 11.020 13.625 6.538 180 H ASP 24 H ASP 24 12.535 15.955 6.262 181 HA ASP 24 HA ASP 24 14.367 15.341 4.049 182 HB2 ASP 24 2HB ASP 24 13.478 17.671 4.238 183 HB3 ASP 24 3HB ASP 24 14.301 17.813 5.790 184 H TYR 25 H TYR 25 16.560 15.019 4.404 185 HA TYR 25 HA TYR 25 17.395 14.705 7.208 186 HB2 TYR 25 2HB TYR 25 18.170 12.789 5.006 187 HB3 TYR 25 3HB TYR 25 18.472 12.620 6.732 188 HD1 TYR 25 HD1 TYR 25 15.620 12.967 4.343 189 HD2 TYR 25 HD2 TYR 25 17.059 11.274 7.971 190 HE1 TYR 25 HE1 TYR 25 13.522 11.705 4.579 191 HE2 TYR 25 HE2 TYR 25 14.965 10.006 8.216 192 HH TYR 25 HH TYR 25 12.204 10.683 6.572 193 H ASN 26 H ASN 26 19.479 15.278 7.681 194 HA ASN 26 HA ASN 26 20.931 16.659 5.539 195 HB2 ASN 26 2HB ASN 26 20.249 17.566 8.005 196 HB3 ASN 26 3HB ASN 26 21.864 16.941 8.329 197 HD21 ASN 26 1HD2 ASN 26 20.918 19.680 8.346 198 HD22 ASN 26 2HD2 ASN 26 21.881 20.535 7.194 199 H LEU 27 H LEU 27 23.460 16.739 6.552 200 HA LEU 27 HA LEU 27 24.539 14.281 5.732 201 HB2 LEU 27 2HB LEU 27 25.925 16.138 5.481 202 HB3 LEU 27 3HB LEU 27 25.660 16.675 7.138 203 HG LEU 27 HG LEU 27 27.041 14.083 6.817 204 HD11 LEU 27 1HD1 LEU 27 29.181 15.110 6.320 205 HD12 LEU 27 2HD1 LEU 27 28.410 16.687 6.160 206 HD13 LEU 27 3HD1 LEU 27 28.040 15.405 5.008 207 HD21 LEU 27 3HD2 LEU 27 28.492 15.353 8.566 208 HD22 LEU 27 1HD2 LEU 27 26.893 14.760 9.016 209 HD23 LEU 27 2HD2 LEU 27 27.122 16.463 8.621 210 H SER 28 H SER 28 24.082 15.662 8.967 211 HA SER 28 HA SER 28 25.259 13.482 10.354 212 HB2 SER 28 2HB SER 28 23.345 15.638 11.273 213 HB3 SER 28 3HB SER 28 24.112 14.476 12.355 214 HG SER 28 HG SER 28 25.270 16.570 10.880 215 H SER 29 H SER 29 22.103 14.083 9.054 216 HA SER 29 HA SER 29 20.700 12.154 10.615 217 HB2 SER 29 2HB SER 29 19.985 13.309 7.908 218 HB3 SER 29 3HB SER 29 18.889 12.454 8.994 219 HG SER 29 HG SER 29 18.929 14.137 10.381 220 H LEU 30 H LEU 30 22.441 12.080 7.570 221 HA LEU 30 HA LEU 30 21.557 9.651 6.547 222 HB2 LEU 30 2HB LEU 30 24.223 11.031 6.375 223 HB3 LEU 30 3HB LEU 30 23.867 9.542 5.502 224 HG LEU 30 HG LEU 30 22.129 11.955 5.146 225 HD11 LEU 30 1HD1 LEU 30 23.510 12.868 3.501 226 HD12 LEU 30 2HD1 LEU 30 24.532 11.433 3.429 227 HD13 LEU 30 3HD1 LEU 30 24.608 12.500 4.831 228 HD21 LEU 30 3HD2 LEU 30 21.182 10.728 3.551 229 HD22 LEU 30 1HD2 LEU 30 22.105 9.355 4.161 230 HD23 LEU 30 2HD2 LEU 30 22.745 10.329 2.837 231 H ILE 31 H ILE 31 24.380 10.256 8.637 232 HA ILE 31 HA ILE 31 25.073 7.540 8.954 233 HB ILE 31 HB ILE 31 25.657 9.859 10.799 234 HG12 ILE 31 2HG1 ILE 31 27.978 9.329 9.496 235 HG13 ILE 31 3HG1 ILE 31 26.811 8.935 8.238 236 HG21 ILE 31 1HG2 ILE 31 25.998 7.817 11.985 237 HG22 ILE 31 2HG2 ILE 31 26.844 7.099 10.615 238 HG23 ILE 31 3HG2 ILE 31 27.582 8.428 11.508 239 HD11 ILE 31 3HD1 ILE 31 27.813 11.423 8.793 240 HD12 ILE 31 1HD1 ILE 31 26.363 11.077 7.851 241 HD13 ILE 31 2HD1 ILE 31 26.230 11.450 9.570 242 H SER 32 H SER 32 22.759 9.586 10.552 243 HA SER 32 HA SER 32 22.384 8.258 12.954 244 HB2 SER 32 2HB SER 32 20.617 9.647 13.199 245 HB3 SER 32 3HB SER 32 21.153 10.351 11.674 246 HG SER 32 HG SER 32 19.157 9.828 11.150 247 H ARG 33 H ARG 33 21.251 7.434 9.737 248 HA ARG 33 HA ARG 33 19.732 5.165 10.771 249 HB2 ARG 33 2HB ARG 33 19.455 6.863 8.536 250 HB3 ARG 33 3HB ARG 33 19.843 5.270 7.898 251 HG2 ARG 33 2HG ARG 33 17.700 4.760 8.113 252 HG3 ARG 33 3HG ARG 33 17.933 4.798 9.862 253 HD2 ARG 33 2HD ARG 33 17.578 7.361 9.578 254 HD3 ARG 33 3HD ARG 33 16.832 6.903 8.048 255 HE ARG 33 HE ARG 33 15.587 5.299 9.821 256 HH11 ARG 33 1HH1 ARG 33 16.174 8.729 9.735 257 HH12 ARG 33 2HH1 ARG 33 14.733 9.130 10.610 258 HH21 ARG 33 1HH2 ARG 33 13.687 5.813 10.973 259 HH22 ARG 33 2HH2 ARG 33 13.319 7.470 11.315 260 H GLY 34 H GLY 34 22.808 5.891 9.483 261 HA2 GLY 34 2HA GLY 34 24.491 4.123 9.789 262 HA3 GLY 34 3HA GLY 34 23.320 3.005 9.105 263 H ALA 35 H ALA 35 23.715 6.192 7.772 264 HA ALA 35 HA ALA 35 25.137 5.018 5.471 265 HB1 ALA 35 1HB ALA 35 22.634 6.533 5.584 266 HB2 ALA 35 2HB ALA 35 23.784 7.119 4.381 267 HB3 ALA 35 3HB ALA 35 23.247 5.440 4.343 268 H LEU 36 H LEU 36 27.053 5.905 5.106 269 HA LEU 36 HA LEU 36 27.897 8.260 6.506 270 HB2 LEU 36 2HB LEU 36 29.261 6.162 5.808 271 HB3 LEU 36 3HB LEU 36 29.436 7.002 4.269 272 HG LEU 36 HG LEU 36 31.382 7.303 5.741 273 HD11 LEU 36 1HD1 LEU 36 30.273 9.121 4.148 274 HD12 LEU 36 2HD1 LEU 36 31.723 9.451 5.095 275 HD13 LEU 36 3HD1 LEU 36 30.148 9.996 5.674 276 HD21 LEU 36 3HD2 LEU 36 31.283 8.370 7.815 277 HD22 LEU 36 1HD2 LEU 36 29.920 7.251 7.846 278 HD23 LEU 36 2HD2 LEU 36 29.645 8.966 7.536 279 H ASN 37 H ASN 37 27.939 10.305 5.816 280 HA ASN 37 HA ASN 37 26.525 11.210 3.628 281 HB2 ASN 37 2HB ASN 37 28.016 13.318 3.906 282 HB3 ASN 37 3HB ASN 37 26.980 12.833 5.245 283 HD21 ASN 37 1HD2 ASN 37 30.264 12.711 4.001 284 HD22 ASN 37 2HD2 ASN 37 31.036 12.549 5.538 285 H ASP 38 H ASP 38 26.880 11.284 1.509 286 HA ASP 38 HA ASP 38 27.901 11.160 -0.520 287 HB2 ASP 38 2HB ASP 38 30.559 11.775 0.722 288 HB3 ASP 38 3HB ASP 38 29.904 12.302 -0.826 289 H ASP 39 H ASP 39 27.501 8.858 -0.407 290 HA ASP 39 HA ASP 39 29.824 7.334 -0.977 291 HB2 ASP 39 2HB ASP 39 30.231 7.118 1.327 292 HB3 ASP 39 3HB ASP 39 28.517 6.969 1.707 293 H LEU 40 H LEU 40 26.414 7.370 -0.113 294 HA LEU 40 HA LEU 40 25.573 4.896 -0.939 295 HB2 LEU 40 2HB LEU 40 24.371 7.553 -0.718 296 HB3 LEU 40 3HB LEU 40 23.577 6.507 -1.893 297 HG LEU 40 HG LEU 40 23.090 4.877 -0.197 298 HD11 LEU 40 1HD1 LEU 40 23.757 6.072 2.223 299 HD12 LEU 40 2HD1 LEU 40 25.199 6.241 1.224 300 HD13 LEU 40 3HD1 LEU 40 24.501 4.645 1.501 301 HD21 LEU 40 3HD2 LEU 40 21.582 6.148 1.209 302 HD22 LEU 40 1HD2 LEU 40 21.561 6.792 -0.433 303 HD23 LEU 40 2HD2 LEU 40 22.449 7.639 0.834 304 H SER 41 H SER 41 25.043 3.917 -2.855 305 HA SER 41 HA SER 41 25.622 5.395 -5.330 306 HB2 SER 41 2HB SER 41 26.885 2.912 -4.324 307 HB3 SER 41 3HB SER 41 26.437 2.913 -6.029 308 HG SER 41 HG SER 41 27.971 4.303 -6.427 309 H SER 42 H SER 42 23.318 3.951 -3.625 310 HA SER 42 HA SER 42 21.780 3.275 -6.006 311 HB2 SER 42 2HB SER 42 22.511 1.335 -3.845 312 HB3 SER 42 3HB SER 42 20.930 1.202 -4.616 313 HG SER 42 HG SER 42 22.305 1.349 -6.649 314 H ALA 43 H ALA 43 19.518 3.354 -5.696 315 HA ALA 43 HA ALA 43 18.227 3.743 -3.242 316 HB1 ALA 43 1HB ALA 43 17.706 6.221 -3.563 317 HB2 ALA 43 2HB ALA 43 19.300 5.802 -2.936 318 HB3 ALA 43 3HB ALA 43 19.110 6.254 -4.630 319 H ARG 44 H ARG 44 16.369 2.825 -3.816 320 HA ARG 44 HA ARG 44 15.123 3.644 -6.357 321 HB2 ARG 44 2HB ARG 44 15.625 1.306 -6.424 322 HB3 ARG 44 3HB ARG 44 14.949 1.053 -4.821 323 HG2 ARG 44 2HG ARG 44 13.131 2.145 -6.882 324 HG3 ARG 44 3HG ARG 44 13.634 0.462 -7.056 325 HD2 ARG 44 2HD ARG 44 13.006 0.341 -4.512 326 HD3 ARG 44 3HD ARG 44 12.029 1.756 -4.902 327 HE ARG 44 HE ARG 44 11.545 -0.292 -6.780 328 HH11 ARG 44 1HH1 ARG 44 10.921 0.557 -3.462 329 HH12 ARG 44 2HH1 ARG 44 9.447 -0.349 -3.371 330 HH21 ARG 44 1HH2 ARG 44 9.606 -1.489 -6.672 331 HH22 ARG 44 2HH2 ARG 44 8.701 -1.513 -5.197 332 H VAL 45 H VAL 45 12.912 4.101 -6.402 333 HA VAL 45 HA VAL 45 11.593 4.372 -3.784 334 HB VAL 45 HB VAL 45 10.679 6.516 -4.388 335 HG11 VAL 45 1HG1 VAL 45 13.482 6.023 -4.081 336 HG12 VAL 45 2HG1 VAL 45 13.238 7.453 -5.086 337 HG13 VAL 45 3HG1 VAL 45 12.516 7.369 -3.478 338 HG21 VAL 45 3HG2 VAL 45 10.340 6.378 -6.712 339 HG22 VAL 45 1HG2 VAL 45 11.553 7.641 -6.499 340 HG23 VAL 45 2HG2 VAL 45 12.040 6.029 -7.023 341 HA PRO 46 HA PRO 46 8.158 2.373 -5.663 342 HB2 PRO 46 2HB PRO 46 6.142 3.368 -4.142 343 HB3 PRO 46 3HB PRO 46 7.295 2.170 -3.544 344 HG2 PRO 46 2HG PRO 46 7.259 5.135 -3.132 345 HG3 PRO 46 3HG PRO 46 7.594 3.847 -1.961 346 HD2 PRO 46 2HD PRO 46 9.558 5.287 -3.143 347 HD3 PRO 46 3HD PRO 46 9.769 3.586 -2.679 348 H SER 47 H SER 47 5.888 2.901 -6.505 349 HA SER 47 HA SER 47 6.131 5.111 -8.332 350 HB2 SER 47 2HB SER 47 3.912 3.095 -7.916 351 HB3 SER 47 3HB SER 47 3.950 4.286 -9.216 352 HG SER 47 HG SER 47 5.515 3.201 -10.194 353 H GLY 48 H GLY 48 5.626 7.119 -7.773 354 HA2 GLY 48 2HA GLY 48 3.872 8.705 -7.293 355 HA3 GLY 48 3HA GLY 48 3.198 7.545 -6.158 356 H LEU 49 H LEU 49 6.623 8.168 -6.281 357 HA LEU 49 HA LEU 49 6.404 9.709 -3.780 358 HB2 LEU 49 2HB LEU 49 7.294 7.188 -3.844 359 HB3 LEU 49 3HB LEU 49 8.798 8.024 -4.224 360 HG LEU 49 HG LEU 49 7.325 9.044 -1.881 361 HD11 LEU 49 1HD1 LEU 49 7.038 6.558 -1.753 362 HD12 LEU 49 2HD1 LEU 49 7.934 7.276 -0.415 363 HD13 LEU 49 3HD1 LEU 49 8.795 6.425 -1.697 364 HD21 LEU 49 3HD2 LEU 49 10.207 8.344 -2.431 365 HD22 LEU 49 1HD2 LEU 49 9.605 9.128 -0.970 366 HD23 LEU 49 2HD2 LEU 49 9.481 9.949 -2.526 367 H ARG 50 H ARG 50 7.559 11.543 -3.669 368 HA ARG 50 HA ARG 50 9.449 12.092 -5.863 369 HB2 ARG 50 2HB ARG 50 7.512 13.504 -6.088 370 HB3 ARG 50 3HB ARG 50 7.592 13.965 -4.393 371 HG2 ARG 50 2HG ARG 50 9.518 15.277 -4.734 372 HG3 ARG 50 3HG ARG 50 9.794 14.587 -6.335 373 HD2 ARG 50 2HD ARG 50 7.628 15.605 -7.056 374 HD3 ARG 50 3HD ARG 50 7.555 16.420 -5.494 375 HE ARG 50 HE ARG 50 10.007 16.909 -6.890 376 HH11 ARG 50 1HH1 ARG 50 6.677 17.878 -6.587 377 HH12 ARG 50 2HH1 ARG 50 6.953 19.481 -7.183 378 HH21 ARG 50 1HH2 ARG 50 10.384 19.017 -7.675 379 HH22 ARG 50 2HH2 ARG 50 9.062 20.128 -7.802 380 H LEU 51 H LEU 51 11.463 12.748 -5.362 381 HA LEU 51 HA LEU 51 12.055 13.681 -2.661 382 HB2 LEU 51 2HB LEU 51 14.122 12.096 -2.795 383 HB3 LEU 51 3HB LEU 51 12.571 11.498 -2.210 384 HG LEU 51 HG LEU 51 13.154 11.164 -5.100 385 HD11 LEU 51 1HD1 LEU 51 15.236 10.568 -3.655 386 HD12 LEU 51 2HD1 LEU 51 14.668 9.443 -4.887 387 HD13 LEU 51 3HD1 LEU 51 14.277 9.163 -3.191 388 HD21 LEU 51 3HD2 LEU 51 11.999 9.258 -3.076 389 HD22 LEU 51 1HD2 LEU 51 11.870 9.185 -4.833 390 HD23 LEU 51 2HD2 LEU 51 11.038 10.458 -3.940 391 H GLU 52 H GLU 52 14.125 14.725 -2.474 392 HA GLU 52 HA GLU 52 15.346 15.460 -5.048 393 HB2 GLU 52 2HB GLU 52 14.571 17.317 -2.796 394 HB3 GLU 52 3HB GLU 52 15.633 17.779 -4.118 395 HG2 GLU 52 2HG GLU 52 13.683 17.023 -5.634 396 HG3 GLU 52 3HG GLU 52 12.710 17.171 -4.172 397 H VAL 53 H VAL 53 17.482 15.221 -5.090 398 HA VAL 53 HA VAL 53 18.875 14.658 -2.580 399 HB VAL 53 HB VAL 53 19.922 14.339 -5.394 400 HG11 VAL 53 1HG1 VAL 53 21.246 12.539 -3.889 401 HG12 VAL 53 2HG1 VAL 53 21.830 14.175 -4.199 402 HG13 VAL 53 3HG1 VAL 53 20.983 13.809 -2.695 403 HG21 VAL 53 3HG2 VAL 53 19.371 11.973 -5.189 404 HG22 VAL 53 1HG2 VAL 53 18.648 12.268 -3.607 405 HG23 VAL 53 2HG2 VAL 53 17.919 12.966 -5.054 406 H PHE 54 H PHE 54 20.263 16.037 -1.680 407 HA PHE 54 HA PHE 54 21.223 18.304 -3.300 408 HB2 PHE 54 2HB PHE 54 20.721 18.428 -0.328 409 HB3 PHE 54 3HB PHE 54 20.998 19.766 -1.439 410 HD1 PHE 54 HD2 PHE 54 18.571 17.250 -0.312 411 HD2 PHE 54 HD1 PHE 54 19.226 20.682 -2.743 412 HE1 PHE 54 HE2 PHE 54 16.141 17.503 -0.604 413 HE2 PHE 54 HE1 PHE 54 16.797 20.942 -3.038 414 HZ PHE 54 HZ PHE 54 15.251 19.350 -1.969 415 H GLN 55 H GLN 55 23.249 17.611 -3.781 416 HA GLN 55 HA GLN 55 24.957 16.090 -2.237 417 HB2 GLN 55 2HB GLN 55 25.842 18.317 -4.074 418 HB3 GLN 55 3HB GLN 55 26.749 16.875 -3.637 419 HG2 GLN 55 2HG GLN 55 26.006 16.108 -5.601 420 HG3 GLN 55 3HG GLN 55 24.535 15.756 -4.695 421 HE21 GLN 55 1HE2 GLN 55 22.712 16.548 -5.463 422 HE22 GLN 55 2HE2 GLN 55 22.565 17.844 -6.596 423 H HIS 56 H HIS 56 24.522 19.598 -2.246 424 HA HIS 56 HA HIS 56 26.569 19.996 -0.246 425 HB2 HIS 56 2HB HIS 56 24.773 21.738 -1.852 426 HB3 HIS 56 3HB HIS 56 25.342 22.377 -0.313 427 HD1 HIS 56 HD1 HIS 56 28.040 22.416 -0.050 428 HD2 HIS 56 HD2 HIS 56 26.546 21.978 -3.902 429 HE1 HIS 56 HE1 HIS 56 29.949 22.995 -1.581 430 H ASN 57 H ASN 57 25.852 21.537 1.646 431 HA ASN 57 HA ASN 57 24.477 20.087 3.510 432 HB2 ASN 57 2HB ASN 57 25.202 22.944 3.230 433 HB3 ASN 57 3HB ASN 57 23.942 22.582 4.405 434 HD21 ASN 57 1HD2 ASN 57 25.439 23.329 5.999 435 HD22 ASN 57 2HD2 ASN 57 26.678 22.277 6.584 436 H ASN 58 H ASN 58 22.386 20.600 4.594 437 HA ASN 58 HA ASN 58 20.214 20.135 3.008 438 HB2 ASN 58 2HB ASN 58 19.878 19.848 5.311 439 HB3 ASN 58 3HB ASN 58 20.458 21.467 5.692 440 HD21 ASN 58 1HD2 ASN 58 17.783 19.566 4.574 441 HD22 ASN 58 2HD2 ASN 58 16.581 20.798 4.721 442 H PHE 59 H PHE 59 19.748 21.281 1.229 443 HA PHE 59 HA PHE 59 19.275 23.035 -0.151 444 HB2 PHE 59 2HB PHE 59 17.978 23.893 2.434 445 HB3 PHE 59 3HB PHE 59 17.790 24.802 0.938 446 HD1 PHE 59 HD1 PHE 59 17.242 21.471 2.467 447 HD2 PHE 59 HD2 PHE 59 16.195 24.177 -0.647 448 HE1 PHE 59 HE1 PHE 59 15.387 19.993 1.811 449 HE2 PHE 59 HE2 PHE 59 14.338 22.704 -1.307 450 HZ PHE 59 HZ PHE 59 13.932 20.609 -0.077 451 H LYS 60 H LYS 60 21.823 23.232 0.372 452 HA LYS 60 HA LYS 60 22.320 25.995 1.255 453 HB2 LYS 60 2HB LYS 60 23.592 24.462 2.572 454 HB3 LYS 60 3HB LYS 60 24.120 23.576 1.147 455 HG2 LYS 60 2HG LYS 60 24.839 26.442 1.288 456 HG3 LYS 60 3HG LYS 60 25.659 25.345 2.402 457 HD2 LYS 60 2HD LYS 60 26.717 24.206 0.716 458 HD3 LYS 60 3HD LYS 60 25.453 24.563 -0.464 459 HE2 LYS 60 2HE LYS 60 26.630 27.018 0.358 460 HE3 LYS 60 3HE LYS 60 27.926 25.896 -0.053 461 HZ1 LYS 60 3HZ LYS 60 26.539 27.386 -1.825 462 HZ2 LYS 60 1HZ LYS 60 25.749 25.894 -1.935 463 HZ3 LYS 60 2HZ LYS 60 27.415 25.990 -2.210 464 H GLY 61 H GLY 61 22.782 23.690 -1.348 465 HA2 GLY 61 2HA GLY 61 23.516 25.936 -3.100 466 HA3 GLY 61 3HA GLY 61 24.516 24.491 -3.096 467 H VAL 62 H VAL 62 24.160 23.756 -5.130 468 HA VAL 62 HA VAL 62 21.824 23.827 -6.598 469 HB VAL 62 HB VAL 62 22.714 21.969 -7.920 470 HG11 VAL 62 1HG1 VAL 62 25.015 22.966 -8.355 471 HG12 VAL 62 2HG1 VAL 62 23.636 24.059 -8.488 472 HG13 VAL 62 3HG1 VAL 62 24.653 24.092 -7.047 473 HG21 VAL 62 3HG2 VAL 62 25.048 21.134 -7.119 474 HG22 VAL 62 1HG2 VAL 62 24.465 21.615 -5.525 475 HG23 VAL 62 2HG2 VAL 62 23.584 20.405 -6.458 476 H ARG 63 H ARG 63 20.158 22.343 -7.002 477 HA ARG 63 HA ARG 63 19.790 20.272 -4.940 478 HB2 ARG 63 2HB ARG 63 17.383 20.778 -4.942 479 HB3 ARG 63 3HB ARG 63 18.340 22.165 -4.439 480 HG2 ARG 63 2HG ARG 63 18.127 23.094 -6.716 481 HG3 ARG 63 3HG ARG 63 17.083 21.736 -7.140 482 HD2 ARG 63 2HD ARG 63 15.381 22.999 -6.448 483 HD3 ARG 63 3HD ARG 63 15.967 22.708 -4.811 484 HE ARG 63 HE ARG 63 16.656 24.886 -4.714 485 HH11 ARG 63 1HH1 ARG 63 16.095 24.023 -8.039 486 HH12 ARG 63 2HH1 ARG 63 16.306 25.637 -8.630 487 HH21 ARG 63 1HH2 ARG 63 16.936 27.016 -5.480 488 HH22 ARG 63 2HH2 ARG 63 16.786 27.339 -7.174 489 H ASP 64 H ASP 64 18.788 18.368 -5.575 490 HA ASP 64 HA ASP 64 18.474 18.030 -8.487 491 HB2 ASP 64 2HB ASP 64 20.299 16.754 -6.917 492 HB3 ASP 64 3HB ASP 64 18.959 15.612 -6.871 493 H PHE 65 H PHE 65 17.157 15.856 -8.866 494 HA PHE 65 HA PHE 65 14.985 15.479 -7.002 495 HB2 PHE 65 2HB PHE 65 13.260 15.998 -8.800 496 HB3 PHE 65 3HB PHE 65 14.060 17.385 -8.068 497 HD1 PHE 65 HD2 PHE 65 13.993 15.218 -11.060 498 HD2 PHE 65 HD1 PHE 65 15.313 18.892 -9.364 499 HE1 PHE 65 HE2 PHE 65 14.662 16.005 -13.293 500 HE2 PHE 65 HE1 PHE 65 15.983 19.685 -11.595 501 HZ PHE 65 HZ PHE 65 15.659 18.240 -13.563 502 H TYR 66 H TYR 66 14.058 13.502 -7.205 503 HA TYR 66 HA TYR 66 14.491 11.964 -9.651 504 HB2 TYR 66 2HB TYR 66 15.958 11.558 -7.207 505 HB3 TYR 66 3HB TYR 66 14.964 10.146 -7.548 506 HD1 TYR 66 HD2 TYR 66 15.129 9.175 -9.950 507 HD2 TYR 66 HD1 TYR 66 18.018 11.802 -8.260 508 HE1 TYR 66 HE2 TYR 66 16.787 8.398 -11.591 509 HE2 TYR 66 HE1 TYR 66 19.684 11.033 -9.897 510 HH TYR 66 HH TYR 66 20.124 9.165 -11.338 511 H THR 67 H THR 67 12.955 10.400 -10.038 512 HA THR 67 HA THR 67 10.942 9.852 -7.998 513 HB THR 67 HB THR 67 9.928 10.616 -10.707 514 HG1 THR 67 HG1 THR 67 11.260 12.373 -9.852 515 HG21 THR 67 3HG2 THR 67 8.754 9.671 -8.403 516 HG22 THR 67 1HG2 THR 67 7.917 10.487 -9.723 517 HG23 THR 67 2HG2 THR 67 8.453 11.406 -8.317 518 H SER 68 H SER 68 12.797 8.066 -8.835 519 HA SER 68 HA SER 68 11.215 5.924 -9.790 520 HB2 SER 68 2HB SER 68 12.793 5.575 -11.864 521 HB3 SER 68 3HB SER 68 11.385 6.629 -11.993 522 HG SER 68 HG SER 68 12.673 8.385 -11.906 523 H ASP 69 H ASP 69 12.834 4.035 -10.498 524 HA ASP 69 HA ASP 69 14.394 3.483 -8.211 525 HB2 ASP 69 2HB ASP 69 14.708 2.048 -10.839 526 HB3 ASP 69 3HB ASP 69 14.875 1.402 -9.209 527 H ALA 70 H ALA 70 15.952 5.068 -7.932 528 HA ALA 70 HA ALA 70 17.820 5.715 -10.025 529 HB1 ALA 70 1HB ALA 70 18.339 6.427 -7.182 530 HB2 ALA 70 2HB ALA 70 18.595 7.373 -8.649 531 HB3 ALA 70 3HB ALA 70 16.966 7.167 -8.005 532 H ALA 71 H ALA 71 19.083 4.025 -10.612 533 HA ALA 71 HA ALA 71 20.164 2.139 -8.772 534 HB1 ALA 71 1HB ALA 71 20.267 2.610 -11.662 535 HB2 ALA 71 2HB ALA 71 21.719 1.870 -10.987 536 HB3 ALA 71 3HB ALA 71 20.149 1.100 -10.759 537 H GLU 72 H GLU 72 21.052 5.295 -9.640 538 HA GLU 72 HA GLU 72 23.449 5.123 -8.035 539 HB2 GLU 72 2HB GLU 72 23.812 4.699 -10.695 540 HB3 GLU 72 3HB GLU 72 23.977 6.448 -10.617 541 HG2 GLU 72 2HG GLU 72 25.466 5.005 -8.554 542 HG3 GLU 72 3HG GLU 72 25.983 4.665 -10.204 543 H LEU 73 H LEU 73 23.516 6.868 -6.791 544 HA LEU 73 HA LEU 73 21.695 8.937 -6.850 545 HB2 LEU 73 2HB LEU 73 24.456 8.755 -5.686 546 HB3 LEU 73 3HB LEU 73 23.453 10.189 -5.480 547 HG LEU 73 HG LEU 73 22.814 7.407 -4.501 548 HD11 LEU 73 1HD1 LEU 73 23.641 9.924 -3.067 549 HD12 LEU 73 2HD1 LEU 73 24.541 8.412 -3.173 550 HD13 LEU 73 3HD1 LEU 73 23.026 8.475 -2.272 551 HD21 LEU 73 3HD2 LEU 73 21.110 9.162 -3.259 552 HD22 LEU 73 1HD2 LEU 73 20.694 8.105 -4.608 553 HD23 LEU 73 2HD2 LEU 73 21.164 9.778 -4.911 554 H SER 74 H SER 74 22.183 11.298 -7.132 555 HA SER 74 HA SER 74 22.723 11.914 -9.765 556 HB2 SER 74 2HB SER 74 21.627 13.637 -8.703 557 HB3 SER 74 3HB SER 74 22.608 13.504 -7.244 558 HG SER 74 HG SER 74 22.895 15.313 -9.000 559 H ARG 75 H ARG 75 24.857 13.065 -7.164 560 HA ARG 75 HA ARG 75 27.121 12.835 -9.006 561 HB2 ARG 75 2HB ARG 75 26.683 14.372 -6.454 562 HB3 ARG 75 3HB ARG 75 28.286 14.172 -7.150 563 HG2 ARG 75 2HG ARG 75 27.251 15.129 -9.296 564 HG3 ARG 75 3HG ARG 75 25.932 15.657 -8.249 565 HD2 ARG 75 2HD ARG 75 27.144 17.331 -7.405 566 HD3 ARG 75 3HD ARG 75 28.545 16.291 -7.150 567 HE ARG 75 HE ARG 75 28.350 16.829 -9.883 568 HH11 ARG 75 1HH1 ARG 75 28.984 18.511 -6.901 569 HH12 ARG 75 2HH1 ARG 75 29.990 19.712 -7.641 570 HH21 ARG 75 1HH2 ARG 75 29.673 18.404 -10.868 571 HH22 ARG 75 2HH2 ARG 75 30.381 19.650 -9.898 572 H ASP 76 H ASP 76 28.668 11.353 -8.763 573 HA ASP 76 HA ASP 76 28.431 9.157 -7.096 574 HB2 ASP 76 2HB ASP 76 29.867 9.314 -9.145 575 HB3 ASP 76 3HB ASP 76 31.032 10.235 -8.198 576 H ASN 77 H ASN 77 28.476 9.084 -4.956 577 HA ASN 77 HA ASN 77 28.989 9.521 -2.781 578 HB2 ASN 77 2HB ASN 77 31.744 10.194 -3.822 579 HB3 ASN 77 3HB ASN 77 31.320 9.595 -2.221 580 HD21 ASN 77 1HD2 ASN 77 33.085 8.578 -4.422 581 HD22 ASN 77 2HD2 ASN 77 32.581 6.942 -4.659 582 H ASP 78 H ASP 78 27.558 11.474 -3.250 583 HA ASP 78 HA ASP 78 28.723 13.746 -1.992 584 HB2 ASP 78 2HB ASP 78 29.386 13.837 -4.532 585 HB3 ASP 78 3HB ASP 78 27.725 14.387 -4.742 586 H ALA 79 H ALA 79 26.871 12.906 -0.714 587 HA ALA 79 HA ALA 79 24.432 14.336 -1.484 588 HB1 ALA 79 1HB ALA 79 24.072 12.019 -2.147 589 HB2 ALA 79 2HB ALA 79 24.464 11.480 -0.514 590 HB3 ALA 79 3HB ALA 79 23.024 12.459 -0.798 591 H SER 80 H SER 80 25.286 15.847 0.099 592 HA SER 80 HA SER 80 25.731 15.168 2.797 593 HB2 SER 80 2HB SER 80 25.072 17.764 1.414 594 HB3 SER 80 3HB SER 80 25.284 17.675 3.162 595 HG SER 80 HG SER 80 27.219 16.694 1.346 596 H SER 81 H SER 81 22.896 16.659 1.234 597 HA SER 81 HA SER 81 21.237 15.551 3.397 598 HB2 SER 81 2HB SER 81 21.316 17.835 3.970 599 HB3 SER 81 3HB SER 81 21.230 18.351 2.286 600 HG SER 81 HG SER 81 19.201 17.537 4.011 601 H VAL 82 H VAL 82 18.970 15.266 2.817 602 HA VAL 82 HA VAL 82 18.336 15.285 -0.024 603 HB VAL 82 HB VAL 82 17.524 12.903 0.095 604 HG11 VAL 82 1HG1 VAL 82 19.806 11.934 -0.217 605 HG12 VAL 82 2HG1 VAL 82 19.502 13.400 -1.151 606 HG13 VAL 82 3HG1 VAL 82 20.474 13.475 0.319 607 HG21 VAL 82 3HG2 VAL 82 18.047 11.496 1.831 608 HG22 VAL 82 1HG2 VAL 82 19.438 12.457 2.334 609 HG23 VAL 82 2HG2 VAL 82 17.805 13.007 2.708 610 H ARG 83 H ARG 83 16.041 14.677 -0.418 611 HA ARG 83 HA ARG 83 14.322 15.080 1.927 612 HB2 ARG 83 2HB ARG 83 14.570 17.264 0.862 613 HB3 ARG 83 3HB ARG 83 14.093 16.581 -0.687 614 HG2 ARG 83 2HG ARG 83 11.990 15.894 0.919 615 HG3 ARG 83 3HG ARG 83 12.457 17.473 1.554 616 HD2 ARG 83 2HD ARG 83 12.493 18.196 -0.927 617 HD3 ARG 83 3HD ARG 83 11.538 16.739 -1.201 618 HE ARG 83 HE ARG 83 10.245 18.015 0.829 619 HH11 ARG 83 1HH1 ARG 83 11.255 18.916 -2.379 620 HH12 ARG 83 2HH1 ARG 83 9.957 20.040 -2.613 621 HH21 ARG 83 1HH2 ARG 83 8.532 19.492 0.532 622 HH22 ARG 83 2HH2 ARG 83 8.409 20.367 -0.956 623 H VAL 84 H VAL 84 12.662 13.705 2.004 624 HA VAL 84 HA VAL 84 11.898 12.302 -0.474 625 HB VAL 84 HB VAL 84 11.530 10.278 0.741 626 HG11 VAL 84 1HG1 VAL 84 14.168 11.500 1.547 627 HG12 VAL 84 2HG1 VAL 84 13.792 9.776 1.570 628 HG13 VAL 84 3HG1 VAL 84 13.822 10.652 0.040 629 HG21 VAL 84 3HG2 VAL 84 12.470 10.570 3.299 630 HG22 VAL 84 1HG2 VAL 84 11.572 12.067 3.048 631 HG23 VAL 84 2HG2 VAL 84 10.769 10.511 2.835 632 H SER 85 H SER 85 9.751 12.045 -0.888 633 HA SER 85 HA SER 85 7.742 12.517 1.114 634 HB2 SER 85 2HB SER 85 7.639 14.416 -1.209 635 HB3 SER 85 3HB SER 85 6.847 14.536 0.362 636 HG SER 85 HG SER 85 8.613 15.970 0.204 637 H LYS 86 H LYS 86 5.512 12.414 0.126 638 HA LYS 86 HA LYS 86 5.540 10.412 -2.020 639 HB2 LYS 86 2HB LYS 86 3.762 10.959 0.301 640 HB3 LYS 86 3HB LYS 86 3.015 10.295 -1.146 641 HG2 LYS 86 2HG LYS 86 3.796 8.263 -0.717 642 HG3 LYS 86 3HG LYS 86 5.433 8.870 -0.458 643 HD2 LYS 86 2HD LYS 86 4.991 8.071 1.635 644 HD3 LYS 86 3HD LYS 86 4.369 9.713 1.816 645 HE2 LYS 86 2HE LYS 86 2.416 7.821 0.743 646 HE3 LYS 86 3HE LYS 86 2.984 7.411 2.361 647 HZ1 LYS 86 3HZ LYS 86 0.976 9.021 2.015 648 HZ2 LYS 86 1HZ LYS 86 2.192 10.180 1.814 649 HZ3 LYS 86 2HZ LYS 86 2.095 9.297 3.253 650 H MET 87 H MET 87 5.008 11.041 -3.996 651 HA MET 87 HA MET 87 3.489 13.521 -4.343 652 HB2 MET 87 2HB MET 87 5.593 13.421 -5.544 653 HB3 MET 87 3HB MET 87 5.130 11.899 -6.294 654 HG2 MET 87 2HG MET 87 3.460 12.950 -7.605 655 HG3 MET 87 3HG MET 87 3.607 14.454 -6.698 656 HE1 MET 87 3HE MET 87 4.680 16.221 -7.240 657 HE2 MET 87 1HE MET 87 6.029 16.480 -8.347 658 HE3 MET 87 2HE MET 87 4.402 16.238 -8.982 659 H GLU 88 H GLU 88 3.669 10.613 -6.376 660 HA GLU 88 HA GLU 88 2.046 9.472 -7.502 661 HB2 GLU 88 2HB GLU 88 1.750 8.773 -5.058 662 HB3 GLU 88 3HB GLU 88 0.366 9.857 -5.031 663 HG2 GLU 88 2HG GLU 88 -0.621 8.576 -6.901 664 HG3 GLU 88 3HG GLU 88 0.729 7.447 -6.795 665 H THR 89 H THR 89 1.928 11.623 -8.734 666 HA THR 89 HA THR 89 -0.437 13.209 -8.338 667 HB THR 89 HB THR 89 0.923 13.371 -10.953 668 HG1 THR 89 HG1 THR 89 2.804 13.116 -9.906 669 HG21 THR 89 3HG2 THR 89 -0.717 15.027 -10.276 670 HG22 THR 89 1HG2 THR 89 0.872 15.780 -10.400 671 HG23 THR 89 2HG2 THR 89 0.206 15.382 -8.816 672 H THR 90 H THR 90 -2.251 13.322 -9.676 673 HA THR 90 HA THR 90 -2.644 11.002 -11.453 674 HB THR 90 HB THR 90 -5.184 11.869 -10.630 675 HG1 THR 90 HG1 THR 90 -3.326 11.725 -8.477 676 HG21 THR 90 3HG2 THR 90 -5.456 9.670 -9.942 677 HG22 THR 90 1HG2 THR 90 -3.793 9.534 -9.373 678 HG23 THR 90 2HG2 THR 90 -4.136 9.535 -11.103 679 H ASN 91 H ASN 91 -2.510 11.796 -13.464 680 HA ASN 91 HA ASN 91 -3.718 14.391 -14.072 681 HB2 ASN 91 2HB ASN 91 -1.457 12.907 -15.081 682 HB3 ASN 91 3HB ASN 91 -2.547 13.328 -16.399 683 HD21 ASN 91 1HD2 ASN 91 -2.543 15.347 -17.157 684 HD22 ASN 91 2HD2 ASN 91 -1.648 16.659 -16.476 Start of MODEL 6 1 H GLY 1 H GLY 1 1.282 -0.846 2.640 2 HA2 GLY 1 2HA GLY 1 2.581 1.025 2.928 3 HA3 GLY 1 3HA GLY 1 3.937 -0.031 2.560 4 H GLU 2 H GLU 2 5.039 0.294 0.724 5 HA GLU 2 HA GLU 2 5.726 1.274 -1.211 6 HB2 GLU 2 2HB GLU 2 3.507 0.020 -1.870 7 HB3 GLU 2 3HB GLU 2 2.888 1.653 -2.071 8 HG2 GLU 2 2HG GLU 2 4.253 2.103 -3.857 9 HG3 GLU 2 3HG GLU 2 5.460 0.914 -3.372 10 H LYS 3 H LYS 3 6.004 3.049 0.603 11 HA LYS 3 HA LYS 3 5.324 5.542 -0.663 12 HB2 LYS 3 2HB LYS 3 4.263 6.526 1.350 13 HB3 LYS 3 3HB LYS 3 3.303 5.240 0.629 14 HG2 LYS 3 2HG LYS 3 4.494 3.728 2.370 15 HG3 LYS 3 3HG LYS 3 4.825 5.252 3.196 16 HD2 LYS 3 2HD LYS 3 2.111 5.312 2.436 17 HD3 LYS 3 3HD LYS 3 2.407 3.718 3.133 18 HE2 LYS 3 2HE LYS 3 2.868 4.558 5.200 19 HE3 LYS 3 3HE LYS 3 3.527 6.063 4.561 20 HZ1 LYS 3 3HZ LYS 3 0.943 6.244 3.859 21 HZ2 LYS 3 1HZ LYS 3 1.599 6.917 5.266 22 HZ3 LYS 3 2HZ LYS 3 0.820 5.417 5.330 23 H THR 4 H THR 4 7.742 4.156 -0.093 24 HA THR 4 HA THR 4 9.125 6.253 1.359 25 HB THR 4 HB THR 4 10.421 4.532 2.706 26 HG1 THR 4 HG1 THR 4 9.148 2.582 3.109 27 HG21 THR 4 3HG2 THR 4 8.934 4.649 4.527 28 HG22 THR 4 1HG2 THR 4 7.516 4.641 3.479 29 HG23 THR 4 2HG2 THR 4 8.555 6.065 3.547 30 H VAL 5 H VAL 5 11.285 6.456 0.796 31 HA VAL 5 HA VAL 5 12.059 4.999 -1.611 32 HB VAL 5 HB VAL 5 12.288 7.364 -1.811 33 HG11 VAL 5 1HG1 VAL 5 12.550 8.567 0.043 34 HG12 VAL 5 2HG1 VAL 5 13.168 7.176 0.937 35 HG13 VAL 5 3HG1 VAL 5 14.265 8.164 -0.029 36 HG21 VAL 5 3HG2 VAL 5 15.119 6.558 -1.295 37 HG22 VAL 5 1HG2 VAL 5 14.191 5.749 -2.558 38 HG23 VAL 5 2HG2 VAL 5 14.445 7.493 -2.629 39 H LYS 6 H LYS 6 13.372 3.311 -1.514 40 HA LYS 6 HA LYS 6 14.872 2.774 0.918 41 HB2 LYS 6 2HB LYS 6 14.405 1.142 -1.581 42 HB3 LYS 6 3HB LYS 6 15.384 0.596 -0.226 43 HG2 LYS 6 2HG LYS 6 13.488 -0.334 0.497 44 HG3 LYS 6 3HG LYS 6 13.075 1.299 1.026 45 HD2 LYS 6 2HD LYS 6 11.942 1.683 -1.129 46 HD3 LYS 6 3HD LYS 6 12.314 0.023 -1.602 47 HE2 LYS 6 2HE LYS 6 11.072 0.029 0.977 48 HE3 LYS 6 3HE LYS 6 10.088 0.964 -0.148 49 HZ1 LYS 6 3HZ LYS 6 11.051 -1.501 -1.262 50 HZ2 LYS 6 1HZ LYS 6 9.483 -0.867 -1.235 51 HZ3 LYS 6 2HZ LYS 6 10.067 -1.734 0.094 52 H LEU 7 H LEU 7 16.744 3.852 1.061 53 HA LEU 7 HA LEU 7 18.356 4.390 -1.279 54 HB2 LEU 7 2HB LEU 7 18.806 4.966 1.644 55 HB3 LEU 7 3HB LEU 7 19.880 5.484 0.346 56 HG LEU 7 HG LEU 7 17.498 6.524 -0.472 57 HD11 LEU 7 1HD1 LEU 7 16.620 7.687 1.581 58 HD12 LEU 7 2HD1 LEU 7 17.538 6.523 2.535 59 HD13 LEU 7 3HD1 LEU 7 16.254 5.965 1.463 60 HD21 LEU 7 3HD2 LEU 7 18.428 8.647 0.711 61 HD22 LEU 7 1HD2 LEU 7 19.353 7.891 -0.586 62 HD23 LEU 7 2HD2 LEU 7 19.799 7.607 1.096 63 H TYR 8 H TYR 8 19.966 3.168 -2.006 64 HA TYR 8 HA TYR 8 20.963 1.007 -0.272 65 HB2 TYR 8 2HB TYR 8 20.862 1.189 -3.289 66 HB3 TYR 8 3HB TYR 8 21.602 -0.132 -2.393 67 HD1 TYR 8 HD2 TYR 8 18.358 1.646 -2.833 68 HD2 TYR 8 HD1 TYR 8 20.322 -1.978 -1.778 69 HE1 TYR 8 HE2 TYR 8 16.182 0.502 -2.736 70 HE2 TYR 8 HE1 TYR 8 18.152 -3.132 -1.679 71 HH TYR 8 HH TYR 8 15.164 -1.511 -2.621 72 H GLU 9 H GLU 9 22.930 1.300 0.516 73 HA GLU 9 HA GLU 9 24.649 3.382 -0.173 74 HB2 GLU 9 2HB GLU 9 26.241 2.392 1.277 75 HB3 GLU 9 3HB GLU 9 24.664 2.005 1.951 76 HG2 GLU 9 2HG GLU 9 25.009 -0.170 0.456 77 HG3 GLU 9 3HG GLU 9 26.700 0.236 0.743 78 H ASP 10 H ASP 10 24.351 0.152 -1.465 79 HA ASP 10 HA ASP 10 26.801 0.377 -3.007 80 HB2 ASP 10 2HB ASP 10 25.557 -1.772 -1.947 81 HB3 ASP 10 3HB ASP 10 24.891 -1.815 -3.577 82 H THR 11 H THR 11 26.180 -0.796 -5.381 83 HA THR 11 HA THR 11 24.710 1.345 -6.709 84 HB THR 11 HB THR 11 25.728 0.659 -8.740 85 HG1 THR 11 HG1 THR 11 26.732 -1.322 -8.986 86 HG21 THR 11 3HG2 THR 11 28.115 -0.018 -7.249 87 HG22 THR 11 1HG2 THR 11 27.245 1.318 -6.498 88 HG23 THR 11 2HG2 THR 11 27.749 1.431 -8.185 89 H HIS 12 H HIS 12 23.026 0.972 -8.189 90 HA HIS 12 HA HIS 12 21.154 -0.018 -9.027 91 HB2 HIS 12 2HB HIS 12 23.077 -2.175 -8.836 92 HB3 HIS 12 3HB HIS 12 21.441 -2.764 -8.554 93 HD1 HIS 12 HD1 HIS 12 20.581 -3.698 -10.667 94 HD2 HIS 12 HD2 HIS 12 22.803 -0.247 -11.306 95 HE1 HIS 12 HE1 HIS 12 20.456 -3.267 -13.141 96 H PHE 13 H PHE 13 21.859 -2.467 -6.564 97 HA PHE 13 HA PHE 13 20.093 -1.384 -4.615 98 HB2 PHE 13 2HB PHE 13 18.341 -3.117 -4.742 99 HB3 PHE 13 3HB PHE 13 18.384 -2.121 -6.194 100 HD1 PHE 13 HD2 PHE 13 19.261 -3.032 -8.296 101 HD2 PHE 13 HD1 PHE 13 18.849 -5.444 -4.814 102 HE1 PHE 13 HE2 PHE 13 19.464 -5.057 -9.679 103 HE2 PHE 13 HE1 PHE 13 19.051 -7.473 -6.191 104 HZ PHE 13 HZ PHE 13 19.358 -7.281 -8.627 105 H LYS 14 H LYS 14 22.765 -2.591 -4.930 106 HA LYS 14 HA LYS 14 22.663 -5.114 -3.534 107 HB2 LYS 14 2HB LYS 14 24.757 -3.420 -4.763 108 HB3 LYS 14 3HB LYS 14 25.269 -4.415 -3.407 109 HG2 LYS 14 2HG LYS 14 25.686 -5.785 -5.209 110 HG3 LYS 14 3HG LYS 14 24.090 -6.333 -4.689 111 HD2 LYS 14 2HD LYS 14 23.106 -5.635 -6.584 112 HD3 LYS 14 3HD LYS 14 24.030 -4.132 -6.621 113 HE2 LYS 14 2HE LYS 14 25.263 -6.782 -7.316 114 HE3 LYS 14 3HE LYS 14 24.416 -5.804 -8.514 115 HZ1 LYS 14 3HZ LYS 14 27.054 -5.551 -7.651 116 HZ2 LYS 14 1HZ LYS 14 26.228 -4.173 -7.120 117 HZ3 LYS 14 2HZ LYS 14 26.226 -4.580 -8.761 118 H GLY 15 H GLY 15 23.553 -5.511 -1.449 119 HA2 GLY 15 2HA GLY 15 24.204 -4.967 0.716 120 HA3 GLY 15 3HA GLY 15 24.215 -3.270 0.258 121 H TYR 16 H TYR 16 23.153 -2.737 2.213 122 HA TYR 16 HA TYR 16 20.478 -3.784 2.652 123 HB2 TYR 16 2HB TYR 16 22.367 -3.093 4.413 124 HB3 TYR 16 3HB TYR 16 21.543 -1.542 4.292 125 HD1 TYR 16 HD2 TYR 16 20.886 -5.157 4.918 126 HD2 TYR 16 HD1 TYR 16 19.641 -1.141 5.573 127 HE1 TYR 16 HE2 TYR 16 19.177 -5.951 6.498 128 HE2 TYR 16 HE1 TYR 16 17.929 -1.924 7.155 129 HH TYR 16 HH TYR 16 16.785 -3.780 7.861 130 H SER 17 H SER 17 18.721 -2.186 3.185 131 HA SER 17 HA SER 17 18.863 0.171 1.425 132 HB2 SER 17 2HB SER 17 16.183 -0.964 1.679 133 HB3 SER 17 3HB SER 17 17.065 -0.474 0.232 134 HG SER 17 HG SER 17 18.295 -2.549 0.715 135 H VAL 18 H VAL 18 17.869 2.020 2.141 136 HA VAL 18 HA VAL 18 16.795 1.921 4.885 137 HB VAL 18 HB VAL 18 18.228 4.221 3.547 138 HG11 VAL 18 1HG1 VAL 18 18.000 4.349 6.420 139 HG12 VAL 18 2HG1 VAL 18 17.525 5.533 5.201 140 HG13 VAL 18 3HG1 VAL 18 16.411 4.245 5.662 141 HG21 VAL 18 3HG2 VAL 18 19.159 1.954 5.162 142 HG22 VAL 18 1HG2 VAL 18 20.045 3.001 4.054 143 HG23 VAL 18 2HG2 VAL 18 19.730 3.532 5.706 144 H GLU 19 H GLU 19 14.654 2.122 4.842 145 HA GLU 19 HA GLU 19 13.424 3.853 2.815 146 HB2 GLU 19 2HB GLU 19 11.368 2.667 3.216 147 HB3 GLU 19 3HB GLU 19 12.652 1.491 2.971 148 HG2 GLU 19 2HG GLU 19 12.671 1.846 5.690 149 HG3 GLU 19 3HG GLU 19 10.958 1.957 5.288 150 H LEU 20 H LEU 20 12.311 5.648 3.349 151 HA LEU 20 HA LEU 20 11.552 6.128 6.119 152 HB2 LEU 20 2HB LEU 20 12.586 8.540 5.643 153 HB3 LEU 20 3HB LEU 20 13.485 7.245 6.430 154 HG LEU 20 HG LEU 20 13.710 7.382 3.487 155 HD11 LEU 20 1HD1 LEU 20 14.898 9.474 5.300 156 HD12 LEU 20 2HD1 LEU 20 13.791 9.733 3.952 157 HD13 LEU 20 3HD1 LEU 20 15.432 9.161 3.648 158 HD21 LEU 20 3HD2 LEU 20 14.973 6.051 5.538 159 HD22 LEU 20 1HD2 LEU 20 16.111 7.335 5.131 160 HD23 LEU 20 2HD2 LEU 20 15.568 6.211 3.884 161 HA PRO 21 HA PRO 21 8.053 7.965 4.183 162 HB2 PRO 21 2HB PRO 21 7.177 9.515 6.232 163 HB3 PRO 21 3HB PRO 21 7.004 7.756 6.216 164 HG2 PRO 21 2HG PRO 21 9.054 9.446 7.596 165 HG3 PRO 21 3HG PRO 21 8.177 8.030 8.205 166 HD2 PRO 21 2HD PRO 21 10.722 7.884 7.293 167 HD3 PRO 21 3HD PRO 21 9.569 6.545 7.125 168 H VAL 22 H VAL 22 7.056 10.151 3.789 169 HA VAL 22 HA VAL 22 8.755 11.858 2.482 170 HB VAL 22 HB VAL 22 6.365 11.990 2.153 171 HG11 VAL 22 1HG1 VAL 22 6.264 13.054 4.973 172 HG12 VAL 22 2HG1 VAL 22 4.908 13.062 3.843 173 HG13 VAL 22 3HG1 VAL 22 5.592 11.531 4.392 174 HG21 VAL 22 3HG2 VAL 22 7.658 13.969 1.591 175 HG22 VAL 22 1HG2 VAL 22 6.066 14.430 2.195 176 HG23 VAL 22 2HG2 VAL 22 7.482 14.576 3.237 177 H GLY 23 H GLY 23 9.813 13.775 2.946 178 HA2 GLY 23 2HA GLY 23 9.848 15.551 4.855 179 HA3 GLY 23 3HA GLY 23 10.404 14.174 5.794 180 H ASP 24 H ASP 24 11.981 16.371 5.667 181 HA ASP 24 HA ASP 24 14.058 15.726 3.689 182 HB2 ASP 24 2HB ASP 24 13.192 18.064 3.726 183 HB3 ASP 24 3HB ASP 24 13.783 18.220 5.379 184 H TYR 25 H TYR 25 16.140 15.266 4.305 185 HA TYR 25 HA TYR 25 16.671 15.079 7.192 186 HB2 TYR 25 2HB TYR 25 17.562 12.991 5.203 187 HB3 TYR 25 3HB TYR 25 17.647 12.913 6.959 188 HD1 TYR 25 HD1 TYR 25 15.120 13.273 4.229 189 HD2 TYR 25 HD2 TYR 25 16.020 11.719 8.086 190 HE1 TYR 25 HE1 TYR 25 12.935 12.145 4.277 191 HE2 TYR 25 HE2 TYR 25 13.837 10.585 8.145 192 HH TYR 25 HH TYR 25 11.553 10.934 7.032 193 H ASN 26 H ASN 26 18.745 15.529 7.843 194 HA ASN 26 HA ASN 26 20.447 16.781 5.817 195 HB2 ASN 26 2HB ASN 26 21.676 17.653 7.879 196 HB3 ASN 26 3HB ASN 26 20.040 18.256 7.623 197 HD21 ASN 26 1HD2 ASN 26 18.371 17.525 8.961 198 HD22 ASN 26 2HD2 ASN 26 18.693 16.793 10.492 199 H LEU 27 H LEU 27 22.910 16.644 6.621 200 HA LEU 27 HA LEU 27 23.824 14.112 5.972 201 HB2 LEU 27 2HB LEU 27 25.339 15.873 5.728 202 HB3 LEU 27 3HB LEU 27 25.094 16.430 7.382 203 HG LEU 27 HG LEU 27 26.319 13.750 6.990 204 HD11 LEU 27 1HD1 LEU 27 27.490 15.126 5.348 205 HD12 LEU 27 2HD1 LEU 27 28.534 14.724 6.711 206 HD13 LEU 27 3HD1 LEU 27 27.823 16.333 6.590 207 HD21 LEU 27 3HD2 LEU 27 27.719 14.781 8.912 208 HD22 LEU 27 1HD2 LEU 27 26.056 14.286 9.226 209 HD23 LEU 27 2HD2 LEU 27 26.435 15.989 8.971 210 H SER 28 H SER 28 23.481 15.583 9.188 211 HA SER 28 HA SER 28 24.441 13.336 10.620 212 HB2 SER 28 2HB SER 28 22.504 14.983 12.068 213 HB3 SER 28 3HB SER 28 24.205 14.675 12.419 214 HG SER 28 HG SER 28 24.172 16.780 11.910 215 H SER 29 H SER 29 21.358 14.158 9.266 216 HA SER 29 HA SER 29 19.815 12.325 10.829 217 HB2 SER 29 2HB SER 29 18.851 14.328 9.689 218 HB3 SER 29 3HB SER 29 19.131 13.535 8.139 219 HG SER 29 HG SER 29 17.803 11.777 9.048 220 H LEU 30 H LEU 30 21.657 12.139 7.883 221 HA LEU 30 HA LEU 30 20.539 9.824 6.766 222 HB2 LEU 30 2HB LEU 30 23.186 11.182 6.574 223 HB3 LEU 30 3HB LEU 30 22.997 9.574 5.879 224 HG LEU 30 HG LEU 30 21.113 11.781 5.134 225 HD11 LEU 30 1HD1 LEU 30 22.739 11.974 3.102 226 HD12 LEU 30 2HD1 LEU 30 23.942 11.414 4.263 227 HD13 LEU 30 3HD1 LEU 30 23.042 12.898 4.573 228 HD21 LEU 30 3HD2 LEU 30 22.040 9.833 3.158 229 HD22 LEU 30 1HD2 LEU 30 20.405 10.361 3.554 230 HD23 LEU 30 2HD2 LEU 30 21.191 9.121 4.531 231 H ILE 31 H ILE 31 23.393 10.172 8.873 232 HA ILE 31 HA ILE 31 23.975 7.452 9.125 233 HB ILE 31 HB ILE 31 24.443 9.643 11.152 234 HG12 ILE 31 2HG1 ILE 31 26.850 9.128 9.988 235 HG13 ILE 31 3HG1 ILE 31 25.763 8.871 8.628 236 HG21 ILE 31 1HG2 ILE 31 25.673 6.904 10.881 237 HG22 ILE 31 2HG2 ILE 31 26.250 8.164 11.970 238 HG23 ILE 31 3HG2 ILE 31 24.641 7.477 12.192 239 HD11 ILE 31 3HD1 ILE 31 24.833 11.214 9.669 240 HD12 ILE 31 1HD1 ILE 31 26.570 11.340 9.948 241 HD13 ILE 31 2HD1 ILE 31 25.955 11.067 8.317 242 H SER 32 H SER 32 21.536 9.402 10.635 243 HA SER 32 HA SER 32 20.973 7.965 12.934 244 HB2 SER 32 2HB SER 32 19.903 10.150 11.949 245 HB3 SER 32 3HB SER 32 18.725 9.032 11.261 246 HG SER 32 HG SER 32 18.025 8.522 13.232 247 H ARG 33 H ARG 33 20.358 7.160 9.614 248 HA ARG 33 HA ARG 33 18.949 4.723 10.487 249 HB2 ARG 33 2HB ARG 33 18.740 5.989 7.756 250 HB3 ARG 33 3HB ARG 33 17.743 4.704 8.424 251 HG2 ARG 33 2HG ARG 33 16.807 6.270 10.048 252 HG3 ARG 33 3HG ARG 33 17.806 7.560 9.375 253 HD2 ARG 33 2HD ARG 33 16.183 7.989 7.921 254 HD3 ARG 33 3HD ARG 33 16.467 6.405 7.199 255 HE ARG 33 HE ARG 33 14.509 5.692 8.124 256 HH11 ARG 33 1HH1 ARG 33 15.574 8.537 9.826 257 HH12 ARG 33 2HH1 ARG 33 14.141 8.654 10.792 258 HH21 ARG 33 1HH2 ARG 33 12.617 5.837 9.391 259 HH22 ARG 33 2HH2 ARG 33 12.460 7.117 10.545 260 H GLY 34 H GLY 34 21.866 5.267 10.173 261 HA2 GLY 34 2HA GLY 34 23.679 4.006 9.522 262 HA3 GLY 34 3HA GLY 34 22.550 2.818 8.888 263 H ALA 35 H ALA 35 22.713 6.199 7.921 264 HA ALA 35 HA ALA 35 23.668 5.321 5.273 265 HB1 ALA 35 1HB ALA 35 21.242 5.973 5.366 266 HB2 ALA 35 2HB ALA 35 21.773 7.612 5.744 267 HB3 ALA 35 3HB ALA 35 22.221 6.873 4.207 268 H LEU 36 H LEU 36 25.100 6.663 4.181 269 HA LEU 36 HA LEU 36 26.248 8.851 5.789 270 HB2 LEU 36 2HB LEU 36 27.487 6.522 4.967 271 HB3 LEU 36 3HB LEU 36 28.017 7.713 3.780 272 HG LEU 36 HG LEU 36 29.658 7.589 5.514 273 HD11 LEU 36 1HD1 LEU 36 28.905 9.845 4.590 274 HD12 LEU 36 2HD1 LEU 36 29.845 9.851 6.082 275 HD13 LEU 36 3HD1 LEU 36 28.097 10.074 6.142 276 HD21 LEU 36 3HD2 LEU 36 28.111 8.577 7.744 277 HD22 LEU 36 1HD2 LEU 36 29.193 7.188 7.650 278 HD23 LEU 36 2HD2 LEU 36 27.502 7.021 7.178 279 H ASN 37 H ASN 37 26.532 10.793 4.838 280 HA ASN 37 HA ASN 37 25.108 11.546 2.600 281 HB2 ASN 37 2HB ASN 37 26.521 13.600 2.594 282 HB3 ASN 37 3HB ASN 37 25.900 13.189 4.191 283 HD21 ASN 37 1HD2 ASN 37 27.327 12.269 5.722 284 HD22 ASN 37 2HD2 ASN 37 29.033 12.509 5.598 285 H ASP 38 H ASP 38 28.581 10.808 2.810 286 HA ASP 38 HA ASP 38 28.668 10.685 -0.127 287 HB2 ASP 38 2HB ASP 38 31.227 10.662 0.364 288 HB3 ASP 38 3HB ASP 38 30.338 12.177 0.503 289 H ASP 39 H ASP 39 27.692 8.581 -0.145 290 HA ASP 39 HA ASP 39 29.573 6.478 -0.250 291 HB2 ASP 39 2HB ASP 39 29.478 6.378 2.128 292 HB3 ASP 39 3HB ASP 39 27.723 6.529 2.133 293 H LEU 40 H LEU 40 26.195 7.429 0.015 294 HA LEU 40 HA LEU 40 24.922 5.191 -0.967 295 HB2 LEU 40 2HB LEU 40 24.359 8.076 -0.901 296 HB3 LEU 40 3HB LEU 40 23.482 7.173 -2.134 297 HG LEU 40 HG LEU 40 22.162 7.429 -0.098 298 HD11 LEU 40 1HD1 LEU 40 22.159 4.766 0.379 299 HD12 LEU 40 2HD1 LEU 40 22.972 4.823 -1.185 300 HD13 LEU 40 3HD1 LEU 40 21.367 5.531 -0.998 301 HD21 LEU 40 3HD2 LEU 40 23.935 7.583 1.538 302 HD22 LEU 40 1HD2 LEU 40 24.416 5.917 1.217 303 HD23 LEU 40 2HD2 LEU 40 22.852 6.255 1.959 304 H SER 41 H SER 41 24.788 4.187 -2.876 305 HA SER 41 HA SER 41 26.001 5.512 -5.213 306 HB2 SER 41 2HB SER 41 26.307 2.772 -4.118 307 HB3 SER 41 3HB SER 41 26.205 2.906 -5.874 308 HG SER 41 HG SER 41 28.360 3.072 -5.132 309 H SER 42 H SER 42 23.309 3.736 -3.947 310 HA SER 42 HA SER 42 21.828 4.262 -6.408 311 HB2 SER 42 2HB SER 42 22.839 1.792 -6.127 312 HB3 SER 42 3HB SER 42 21.357 1.590 -5.192 313 HG SER 42 HG SER 42 20.202 1.763 -6.963 314 H ALA 43 H ALA 43 19.440 3.736 -6.070 315 HA ALA 43 HA ALA 43 18.405 3.625 -3.424 316 HB1 ALA 43 1HB ALA 43 17.917 6.288 -4.695 317 HB2 ALA 43 2HB ALA 43 17.751 5.805 -3.006 318 HB3 ALA 43 3HB ALA 43 19.355 6.020 -3.708 319 H ARG 44 H ARG 44 16.705 2.373 -3.827 320 HA ARG 44 HA ARG 44 15.218 2.660 -6.311 321 HB2 ARG 44 2HB ARG 44 15.920 0.425 -5.294 322 HB3 ARG 44 3HB ARG 44 14.664 0.695 -4.094 323 HG2 ARG 44 2HG ARG 44 13.443 1.118 -6.576 324 HG3 ARG 44 3HG ARG 44 14.444 -0.324 -6.763 325 HD2 ARG 44 2HD ARG 44 13.410 -1.205 -4.659 326 HD3 ARG 44 3HD ARG 44 12.302 0.167 -4.702 327 HE ARG 44 HE ARG 44 11.119 -0.892 -6.346 328 HH11 ARG 44 1HH1 ARG 44 14.257 -2.375 -6.076 329 HH12 ARG 44 2HH1 ARG 44 13.885 -3.666 -7.170 330 HH21 ARG 44 1HH2 ARG 44 10.617 -2.587 -7.787 331 HH22 ARG 44 2HH2 ARG 44 11.815 -3.786 -8.143 332 H VAL 45 H VAL 45 13.159 3.394 -6.490 333 HA VAL 45 HA VAL 45 11.769 4.194 -4.021 334 HB VAL 45 HB VAL 45 11.039 6.261 -5.028 335 HG11 VAL 45 1HG1 VAL 45 12.895 7.086 -4.125 336 HG12 VAL 45 2HG1 VAL 45 13.809 5.633 -4.535 337 HG13 VAL 45 3HG1 VAL 45 13.659 6.943 -5.708 338 HG21 VAL 45 3HG2 VAL 45 10.780 5.868 -7.298 339 HG22 VAL 45 1HG2 VAL 45 12.206 6.905 -7.252 340 HG23 VAL 45 2HG2 VAL 45 12.388 5.164 -7.464 341 HA PRO 46 HA PRO 46 8.284 2.114 -5.716 342 HB2 PRO 46 2HB PRO 46 6.295 3.422 -4.410 343 HB3 PRO 46 3HB PRO 46 7.361 2.256 -3.617 344 HG2 PRO 46 2HG PRO 46 7.492 5.246 -3.618 345 HG3 PRO 46 3HG PRO 46 7.723 4.117 -2.270 346 HD2 PRO 46 2HD PRO 46 9.796 5.267 -3.578 347 HD3 PRO 46 3HD PRO 46 9.894 3.638 -2.878 348 H SER 47 H SER 47 6.060 2.654 -6.682 349 HA SER 47 HA SER 47 6.479 4.562 -8.795 350 HB2 SER 47 2HB SER 47 3.977 2.961 -8.230 351 HB3 SER 47 3HB SER 47 4.462 3.685 -9.763 352 HG SER 47 HG SER 47 6.075 2.189 -9.957 353 H GLY 48 H GLY 48 6.103 6.657 -8.527 354 HA2 GLY 48 2HA GLY 48 4.554 8.454 -8.298 355 HA3 GLY 48 3HA GLY 48 3.627 7.472 -7.174 356 H LEU 49 H LEU 49 7.112 8.011 -7.101 357 HA LEU 49 HA LEU 49 6.776 9.664 -4.697 358 HB2 LEU 49 2HB LEU 49 7.340 7.146 -4.332 359 HB3 LEU 49 3HB LEU 49 8.958 7.626 -4.839 360 HG LEU 49 HG LEU 49 7.608 9.092 -2.610 361 HD11 LEU 49 1HD1 LEU 49 9.196 6.569 -2.207 362 HD12 LEU 49 2HD1 LEU 49 7.434 6.623 -2.184 363 HD13 LEU 49 3HD1 LEU 49 8.360 7.532 -0.989 364 HD21 LEU 49 3HD2 LEU 49 9.654 9.933 -2.218 365 HD22 LEU 49 1HD2 LEU 49 9.984 9.431 -3.876 366 HD23 LEU 49 2HD2 LEU 49 10.459 8.395 -2.530 367 H ARG 50 H ARG 50 8.086 11.394 -4.596 368 HA ARG 50 HA ARG 50 10.260 11.573 -6.579 369 HB2 ARG 50 2HB ARG 50 8.048 13.103 -6.628 370 HB3 ARG 50 3HB ARG 50 9.038 14.069 -5.542 371 HG2 ARG 50 2HG ARG 50 10.434 14.718 -7.179 372 HG3 ARG 50 3HG ARG 50 10.387 13.150 -7.986 373 HD2 ARG 50 2HD ARG 50 8.143 13.696 -8.850 374 HD3 ARG 50 3HD ARG 50 8.257 15.283 -8.090 375 HE ARG 50 HE ARG 50 10.480 15.080 -9.686 376 HH11 ARG 50 1HH1 ARG 50 7.035 14.908 -10.154 377 HH12 ARG 50 2HH1 ARG 50 7.092 15.524 -11.772 378 HH21 ARG 50 1HH2 ARG 50 10.569 15.893 -11.815 379 HH22 ARG 50 2HH2 ARG 50 9.103 16.083 -12.716 380 H LEU 51 H LEU 51 12.187 12.551 -5.956 381 HA LEU 51 HA LEU 51 12.477 13.478 -3.214 382 HB2 LEU 51 2HB LEU 51 14.568 11.975 -3.053 383 HB3 LEU 51 3HB LEU 51 12.981 11.281 -2.730 384 HG LEU 51 HG LEU 51 14.018 11.043 -5.497 385 HD11 LEU 51 1HD1 LEU 51 15.982 10.217 -4.812 386 HD12 LEU 51 2HD1 LEU 51 15.045 8.797 -4.350 387 HD13 LEU 51 3HD1 LEU 51 15.435 10.026 -3.146 388 HD21 LEU 51 3HD2 LEU 51 12.673 9.059 -3.670 389 HD22 LEU 51 1HD2 LEU 51 12.866 8.949 -5.419 390 HD23 LEU 51 2HD2 LEU 51 11.808 10.178 -4.725 391 H GLU 52 H GLU 52 14.479 14.597 -2.830 392 HA GLU 52 HA GLU 52 15.950 15.332 -5.268 393 HB2 GLU 52 2HB GLU 52 14.696 17.160 -3.235 394 HB3 GLU 52 3HB GLU 52 16.059 17.684 -4.213 395 HG2 GLU 52 2HG GLU 52 14.644 18.258 -5.806 396 HG3 GLU 52 3HG GLU 52 14.218 16.558 -5.999 397 H VAL 53 H VAL 53 18.092 15.241 -5.058 398 HA VAL 53 HA VAL 53 19.209 14.689 -2.421 399 HB VAL 53 HB VAL 53 20.605 14.622 -5.098 400 HG11 VAL 53 1HG1 VAL 53 22.279 14.732 -3.494 401 HG12 VAL 53 2HG1 VAL 53 21.358 13.787 -2.323 402 HG13 VAL 53 3HG1 VAL 53 22.076 12.996 -3.727 403 HG21 VAL 53 3HG2 VAL 53 20.338 12.047 -4.532 404 HG22 VAL 53 1HG2 VAL 53 18.902 12.635 -3.694 405 HG23 VAL 53 2HG2 VAL 53 19.101 12.936 -5.421 406 H PHE 54 H PHE 54 20.794 15.904 -1.440 407 HA PHE 54 HA PHE 54 21.536 18.437 -2.734 408 HB2 PHE 54 2HB PHE 54 20.852 18.231 0.199 409 HB3 PHE 54 3HB PHE 54 21.125 19.691 -0.746 410 HD1 PHE 54 HD1 PHE 54 19.492 19.556 -3.017 411 HD2 PHE 54 HD2 PHE 54 18.679 18.043 0.878 412 HE1 PHE 54 HE1 PHE 54 17.078 19.719 -3.461 413 HE2 PHE 54 HE2 PHE 54 16.263 18.203 0.439 414 HZ PHE 54 HZ PHE 54 15.460 19.041 -1.733 415 H GLN 55 H GLN 55 23.635 17.975 -3.146 416 HA GLN 55 HA GLN 55 25.374 16.418 -1.679 417 HB2 GLN 55 2HB GLN 55 27.195 17.806 -2.743 418 HB3 GLN 55 3HB GLN 55 26.026 17.109 -3.857 419 HG2 GLN 55 2HG GLN 55 24.872 19.245 -4.005 420 HG3 GLN 55 3HG GLN 55 26.012 19.949 -2.860 421 HE21 GLN 55 1HE2 GLN 55 26.851 21.472 -4.207 422 HE22 GLN 55 2HE2 GLN 55 27.792 21.099 -5.607 423 H HIS 56 H HIS 56 24.523 19.800 -1.230 424 HA HIS 56 HA HIS 56 26.219 19.861 1.178 425 HB2 HIS 56 2HB HIS 56 25.998 21.692 -0.969 426 HB3 HIS 56 3HB HIS 56 25.281 22.470 0.439 427 HD1 HIS 56 HD1 HIS 56 28.454 21.907 -1.157 428 HD2 HIS 56 HD2 HIS 56 27.151 22.405 2.756 429 HE1 HIS 56 HE1 HIS 56 30.505 22.522 0.162 430 H ASN 57 H ASN 57 25.378 20.850 3.079 431 HA ASN 57 HA ASN 57 22.539 20.373 3.412 432 HB2 ASN 57 2HB ASN 57 23.001 20.800 5.814 433 HB3 ASN 57 3HB ASN 57 24.040 19.550 5.135 434 HD21 ASN 57 1HD2 ASN 57 23.883 22.622 6.622 435 HD22 ASN 57 2HD2 ASN 57 25.581 22.929 6.691 436 H ASN 58 H ASN 58 21.196 21.951 4.616 437 HA ASN 58 HA ASN 58 20.210 23.990 4.817 438 HB2 ASN 58 2HB ASN 58 22.795 24.379 5.638 439 HB3 ASN 58 3HB ASN 58 22.635 25.592 4.371 440 HD21 ASN 58 1HD2 ASN 58 21.288 24.427 7.391 441 HD22 ASN 58 2HD2 ASN 58 20.545 25.917 7.852 442 H PHE 59 H PHE 59 20.794 22.736 2.161 443 HA PHE 59 HA PHE 59 20.583 23.194 -0.061 444 HB2 PHE 59 2HB PHE 59 18.901 25.274 1.281 445 HB3 PHE 59 3HB PHE 59 19.121 25.345 -0.465 446 HD1 PHE 59 HD2 PHE 59 18.594 22.542 1.943 447 HD2 PHE 59 HD1 PHE 59 17.247 24.585 -1.540 448 HE1 PHE 59 HE2 PHE 59 16.813 20.870 1.655 449 HE2 PHE 59 HE1 PHE 59 15.462 22.916 -1.833 450 HZ PHE 59 HZ PHE 59 15.244 21.055 -0.235 451 H LYS 60 H LYS 60 23.038 23.804 0.586 452 HA LYS 60 HA LYS 60 23.581 26.551 -0.290 453 HB2 LYS 60 2HB LYS 60 24.667 25.858 1.787 454 HB3 LYS 60 3HB LYS 60 25.403 24.489 0.965 455 HG2 LYS 60 2HG LYS 60 25.937 27.191 -0.129 456 HG3 LYS 60 3HG LYS 60 26.707 26.752 1.397 457 HD2 LYS 60 2HD LYS 60 27.454 24.620 0.215 458 HD3 LYS 60 3HD LYS 60 26.971 25.416 -1.284 459 HE2 LYS 60 2HE LYS 60 28.492 27.327 -0.005 460 HE3 LYS 60 3HE LYS 60 29.328 25.823 0.377 461 HZ1 LYS 60 3HZ LYS 60 30.153 25.779 -1.661 462 HZ2 LYS 60 1HZ LYS 60 29.418 27.264 -1.998 463 HZ3 LYS 60 2HZ LYS 60 28.606 25.821 -2.342 464 H GLY 61 H GLY 61 24.245 23.177 -1.079 465 HA2 GLY 61 2HA GLY 61 25.740 23.989 -3.462 466 HA3 GLY 61 3HA GLY 61 25.599 22.354 -2.835 467 H VAL 62 H VAL 62 25.292 22.440 -5.411 468 HA VAL 62 HA VAL 62 22.872 23.159 -6.551 469 HB VAL 62 HB VAL 62 23.301 21.466 -8.266 470 HG11 VAL 62 1HG1 VAL 62 24.569 23.631 -8.180 471 HG12 VAL 62 2HG1 VAL 62 25.904 22.739 -7.447 472 HG13 VAL 62 3HG1 VAL 62 25.361 22.335 -9.076 473 HG21 VAL 62 3HG2 VAL 62 24.204 19.531 -7.630 474 HG22 VAL 62 1HG2 VAL 62 25.757 20.366 -7.578 475 HG23 VAL 62 2HG2 VAL 62 24.784 20.222 -6.114 476 H ARG 63 H ARG 63 20.943 22.053 -6.975 477 HA ARG 63 HA ARG 63 20.347 19.902 -5.056 478 HB2 ARG 63 2HB ARG 63 18.053 20.618 -5.094 479 HB3 ARG 63 3HB ARG 63 19.065 22.028 -4.811 480 HG2 ARG 63 2HG ARG 63 18.904 22.363 -7.369 481 HG3 ARG 63 3HG ARG 63 17.519 21.274 -7.253 482 HD2 ARG 63 2HD ARG 63 16.227 22.830 -6.280 483 HD3 ARG 63 3HD ARG 63 17.537 23.411 -5.252 484 HE ARG 63 HE ARG 63 17.940 25.066 -6.775 485 HH11 ARG 63 1HH1 ARG 63 16.027 22.582 -8.288 486 HH12 ARG 63 2HH1 ARG 63 15.770 23.485 -9.744 487 HH21 ARG 63 1HH2 ARG 63 17.608 26.264 -8.687 488 HH22 ARG 63 2HH2 ARG 63 16.671 25.579 -9.970 489 H ASP 64 H ASP 64 19.733 17.956 -5.772 490 HA ASP 64 HA ASP 64 19.372 17.625 -8.671 491 HB2 ASP 64 2HB ASP 64 21.180 16.371 -7.185 492 HB3 ASP 64 3HB ASP 64 19.825 15.292 -6.866 493 H PHE 65 H PHE 65 18.019 15.499 -9.105 494 HA PHE 65 HA PHE 65 15.772 15.171 -7.316 495 HB2 PHE 65 2HB PHE 65 14.134 15.700 -9.195 496 HB3 PHE 65 3HB PHE 65 14.923 17.078 -8.434 497 HD1 PHE 65 HD2 PHE 65 14.858 14.941 -11.433 498 HD2 PHE 65 HD1 PHE 65 16.354 18.511 -9.662 499 HE1 PHE 65 HE2 PHE 65 15.640 15.704 -13.638 500 HE2 PHE 65 HE1 PHE 65 17.137 19.280 -11.865 501 HZ PHE 65 HZ PHE 65 16.781 17.875 -13.856 502 H TYR 66 H TYR 66 14.615 13.288 -7.686 503 HA TYR 66 HA TYR 66 15.170 11.697 -10.048 504 HB2 TYR 66 2HB TYR 66 16.567 11.265 -7.572 505 HB3 TYR 66 3HB TYR 66 15.536 9.880 -7.916 506 HD1 TYR 66 HD1 TYR 66 15.623 9.551 -10.757 507 HD2 TYR 66 HD2 TYR 66 18.747 10.752 -8.130 508 HE1 TYR 66 HE1 TYR 66 17.287 8.705 -12.359 509 HE2 TYR 66 HE2 TYR 66 20.420 9.910 -9.724 510 HH TYR 66 HH TYR 66 19.526 8.817 -12.920 511 H THR 67 H THR 67 13.584 10.218 -10.500 512 HA THR 67 HA THR 67 11.488 9.756 -8.510 513 HB THR 67 HB THR 67 10.724 11.688 -9.829 514 HG1 THR 67 HG1 THR 67 8.988 10.545 -9.245 515 HG21 THR 67 3HG2 THR 67 10.705 11.786 -12.094 516 HG22 THR 67 1HG2 THR 67 10.341 10.070 -12.273 517 HG23 THR 67 2HG2 THR 67 11.992 10.592 -11.937 518 H SER 68 H SER 68 13.534 8.035 -9.524 519 HA SER 68 HA SER 68 11.931 5.791 -10.251 520 HB2 SER 68 2HB SER 68 13.833 5.794 -12.359 521 HB3 SER 68 3HB SER 68 12.076 5.862 -12.484 522 HG SER 68 HG SER 68 12.953 7.663 -13.492 523 H ASP 69 H ASP 69 13.681 3.996 -11.133 524 HA ASP 69 HA ASP 69 15.231 3.368 -8.890 525 HB2 ASP 69 2HB ASP 69 16.278 1.638 -10.390 526 HB3 ASP 69 3HB ASP 69 14.517 1.606 -10.346 527 H ALA 70 H ALA 70 16.704 4.881 -8.271 528 HA ALA 70 HA ALA 70 18.528 6.075 -10.159 529 HB1 ALA 70 1HB ALA 70 17.624 7.295 -8.187 530 HB2 ALA 70 2HB ALA 70 18.587 6.241 -7.150 531 HB3 ALA 70 3HB ALA 70 19.385 7.318 -8.297 532 H ALA 71 H ALA 71 19.925 4.612 -11.009 533 HA ALA 71 HA ALA 71 21.173 2.563 -9.445 534 HB1 ALA 71 1HB ALA 71 21.629 1.682 -11.432 535 HB2 ALA 71 2HB ALA 71 20.796 3.054 -12.164 536 HB3 ALA 71 3HB ALA 71 22.542 3.109 -11.921 537 H GLU 72 H GLU 72 22.007 5.804 -10.451 538 HA GLU 72 HA GLU 72 24.471 5.602 -8.861 539 HB2 GLU 72 2HB GLU 72 24.531 5.760 -11.577 540 HB3 GLU 72 3HB GLU 72 24.561 7.465 -11.146 541 HG2 GLU 72 2HG GLU 72 26.405 6.134 -9.467 542 HG3 GLU 72 3HG GLU 72 26.682 5.577 -11.117 543 H LEU 73 H LEU 73 24.434 7.001 -7.243 544 HA LEU 73 HA LEU 73 22.471 8.878 -6.759 545 HB2 LEU 73 2HB LEU 73 25.049 8.179 -5.631 546 HB3 LEU 73 3HB LEU 73 24.711 9.902 -5.486 547 HG LEU 73 HG LEU 73 24.063 8.493 -3.509 548 HD11 LEU 73 1HD1 LEU 73 22.760 10.652 -4.724 549 HD12 LEU 73 2HD1 LEU 73 22.677 10.156 -3.034 550 HD13 LEU 73 3HD1 LEU 73 21.485 9.557 -4.188 551 HD21 LEU 73 3HD2 LEU 73 22.116 7.118 -3.619 552 HD22 LEU 73 1HD2 LEU 73 23.219 6.585 -4.888 553 HD23 LEU 73 2HD2 LEU 73 21.817 7.575 -5.297 554 H SER 74 H SER 74 22.573 11.222 -6.690 555 HA SER 74 HA SER 74 23.108 12.401 -9.127 556 HB2 SER 74 2HB SER 74 22.779 14.541 -8.030 557 HB3 SER 74 3HB SER 74 21.652 13.368 -7.349 558 HG SER 74 HG SER 74 23.410 14.839 -6.058 559 H ARG 75 H ARG 75 25.156 12.260 -6.246 560 HA ARG 75 HA ARG 75 27.457 12.939 -7.928 561 HB2 ARG 75 2HB ARG 75 26.338 14.645 -5.932 562 HB3 ARG 75 3HB ARG 75 27.900 14.077 -5.358 563 HG2 ARG 75 2HG ARG 75 28.375 16.055 -6.493 564 HG3 ARG 75 3HG ARG 75 28.803 14.781 -7.636 565 HD2 ARG 75 2HD ARG 75 27.138 15.322 -9.067 566 HD3 ARG 75 3HD ARG 75 26.023 15.752 -7.771 567 HE ARG 75 HE ARG 75 27.892 17.738 -7.744 568 HH11 ARG 75 1HH1 ARG 75 25.770 16.392 -10.154 569 HH12 ARG 75 2HH1 ARG 75 25.611 17.878 -11.030 570 HH21 ARG 75 1HH2 ARG 75 27.690 19.700 -8.889 571 HH22 ARG 75 2HH2 ARG 75 26.703 19.759 -10.311 572 H ASP 76 H ASP 76 29.000 11.469 -7.706 573 HA ASP 76 HA ASP 76 28.872 9.268 -6.034 574 HB2 ASP 76 2HB ASP 76 30.412 9.863 -8.116 575 HB3 ASP 76 3HB ASP 76 31.564 10.262 -6.845 576 H ASN 77 H ASN 77 28.913 9.204 -3.892 577 HA ASN 77 HA ASN 77 29.372 9.704 -1.717 578 HB2 ASN 77 2HB ASN 77 31.989 9.786 -3.127 579 HB3 ASN 77 3HB ASN 77 31.945 10.423 -1.485 580 HD21 ASN 77 1HD2 ASN 77 30.270 7.713 -3.035 581 HD22 ASN 77 2HD2 ASN 77 30.833 6.510 -1.930 582 H ASP 78 H ASP 78 27.917 11.614 -2.155 583 HA ASP 78 HA ASP 78 28.895 13.883 -0.850 584 HB2 ASP 78 2HB ASP 78 29.294 13.860 -3.750 585 HB3 ASP 78 3HB ASP 78 28.399 15.267 -3.183 586 H ALA 79 H ALA 79 26.896 13.314 0.182 587 HA ALA 79 HA ALA 79 24.625 14.684 -1.035 588 HB1 ALA 79 1HB ALA 79 24.569 12.165 -1.537 589 HB2 ALA 79 2HB ALA 79 24.174 11.978 0.172 590 HB3 ALA 79 3HB ALA 79 23.115 12.917 -0.881 591 H SER 80 H SER 80 25.328 16.197 0.655 592 HA SER 80 HA SER 80 25.416 15.695 3.367 593 HB2 SER 80 2HB SER 80 24.764 18.102 1.726 594 HB3 SER 80 3HB SER 80 24.442 18.165 3.459 595 HG SER 80 HG SER 80 26.922 17.192 2.631 596 H SER 81 H SER 81 22.607 17.237 1.809 597 HA SER 81 HA SER 81 20.883 15.781 3.707 598 HB2 SER 81 2HB SER 81 20.714 18.057 4.308 599 HB3 SER 81 3HB SER 81 20.695 18.589 2.626 600 HG SER 81 HG SER 81 18.635 17.724 4.224 601 H VAL 82 H VAL 82 18.676 15.356 2.941 602 HA VAL 82 HA VAL 82 18.374 15.254 0.032 603 HB VAL 82 HB VAL 82 17.487 12.880 0.276 604 HG11 VAL 82 1HG1 VAL 82 19.908 11.953 0.387 605 HG12 VAL 82 2HG1 VAL 82 19.463 13.052 -0.920 606 HG13 VAL 82 3HG1 VAL 82 20.370 13.653 0.469 607 HG21 VAL 82 3HG2 VAL 82 18.068 11.577 2.133 608 HG22 VAL 82 1HG2 VAL 82 19.215 12.778 2.728 609 HG23 VAL 82 2HG2 VAL 82 17.481 13.088 2.829 610 H ARG 83 H ARG 83 16.142 14.623 -0.609 611 HA ARG 83 HA ARG 83 14.146 15.231 1.458 612 HB2 ARG 83 2HB ARG 83 14.886 16.981 -0.614 613 HB3 ARG 83 3HB ARG 83 13.341 16.296 -1.099 614 HG2 ARG 83 2HG ARG 83 12.202 17.331 0.558 615 HG3 ARG 83 3HG ARG 83 13.552 17.239 1.692 616 HD2 ARG 83 2HD ARG 83 14.555 19.148 0.855 617 HD3 ARG 83 3HD ARG 83 13.741 19.014 -0.704 618 HE ARG 83 HE ARG 83 12.779 20.356 1.632 619 HH11 ARG 83 1HH1 ARG 83 11.814 18.659 -1.251 620 HH12 ARG 83 2HH1 ARG 83 10.270 19.438 -1.350 621 HH21 ARG 83 1HH2 ARG 83 10.749 21.389 1.512 622 HH22 ARG 83 2HH2 ARG 83 9.665 20.991 0.222 623 H VAL 84 H VAL 84 12.433 13.909 1.444 624 HA VAL 84 HA VAL 84 11.952 12.275 -0.960 625 HB VAL 84 HB VAL 84 11.493 10.338 0.360 626 HG11 VAL 84 1HG1 VAL 84 14.034 11.646 1.328 627 HG12 VAL 84 2HG1 VAL 84 13.671 9.921 1.413 628 HG13 VAL 84 3HG1 VAL 84 13.840 10.712 -0.155 629 HG21 VAL 84 3HG2 VAL 84 10.511 10.763 2.338 630 HG22 VAL 84 1HG2 VAL 84 12.162 10.769 2.958 631 HG23 VAL 84 2HG2 VAL 84 11.367 12.290 2.550 632 H SER 85 H SER 85 9.861 12.002 -1.565 633 HA SER 85 HA SER 85 7.663 12.527 0.203 634 HB2 SER 85 2HB SER 85 7.881 14.387 -2.157 635 HB3 SER 85 3HB SER 85 6.799 14.497 -0.768 636 HG SER 85 HG SER 85 8.270 15.728 0.069 637 H LYS 86 H LYS 86 5.573 12.180 -0.845 638 HA LYS 86 HA LYS 86 5.834 10.269 -3.054 639 HB2 LYS 86 2HB LYS 86 3.769 10.688 -0.911 640 HB3 LYS 86 3HB LYS 86 3.391 9.757 -2.355 641 HG2 LYS 86 2HG LYS 86 4.113 8.026 -1.132 642 HG3 LYS 86 3HG LYS 86 5.714 8.595 -1.609 643 HD2 LYS 86 2HD LYS 86 5.739 8.246 0.755 644 HD3 LYS 86 3HD LYS 86 5.749 9.988 0.470 645 HE2 LYS 86 2HE LYS 86 3.047 9.211 0.603 646 HE3 LYS 86 3HE LYS 86 3.866 8.396 1.934 647 HZ1 LYS 86 3HZ LYS 86 2.940 10.817 2.191 648 HZ2 LYS 86 1HZ LYS 86 4.424 11.237 1.495 649 HZ3 LYS 86 2HZ LYS 86 4.386 10.357 2.939 650 H MET 87 H MET 87 5.329 10.913 -5.033 651 HA MET 87 HA MET 87 4.078 13.421 -5.546 652 HB2 MET 87 2HB MET 87 5.796 12.087 -6.980 653 HB3 MET 87 3HB MET 87 4.374 11.273 -7.619 654 HG2 MET 87 2HG MET 87 3.901 14.073 -7.668 655 HG3 MET 87 3HG MET 87 5.480 13.757 -8.383 656 HE1 MET 87 3HE MET 87 1.892 14.197 -10.255 657 HE2 MET 87 1HE MET 87 3.200 15.109 -9.501 658 HE3 MET 87 2HE MET 87 3.342 14.589 -11.180 659 H GLU 88 H GLU 88 3.018 10.057 -5.670 660 HA GLU 88 HA GLU 88 0.351 10.878 -6.530 661 HB2 GLU 88 2HB GLU 88 1.866 8.334 -6.467 662 HB3 GLU 88 3HB GLU 88 0.133 8.209 -6.200 663 HG2 GLU 88 2HG GLU 88 0.501 9.931 -8.399 664 HG3 GLU 88 3HG GLU 88 1.556 8.540 -8.644 665 H THR 89 H THR 89 1.611 11.339 -3.796 666 HA THR 89 HA THR 89 0.495 9.773 -1.819 667 HB THR 89 HB THR 89 2.098 11.648 -1.433 668 HG1 THR 89 HG1 THR 89 1.051 10.784 0.361 669 HG21 THR 89 3HG2 THR 89 1.320 13.906 -1.241 670 HG22 THR 89 1HG2 THR 89 -0.347 13.413 -1.532 671 HG23 THR 89 2HG2 THR 89 0.843 13.308 -2.829 672 H THR 90 H THR 90 -1.024 12.193 -3.826 673 HA THR 90 HA THR 90 -3.343 12.670 -2.335 674 HB THR 90 HB THR 90 -4.397 13.311 -4.489 675 HG1 THR 90 HG1 THR 90 -1.922 12.609 -5.698 676 HG21 THR 90 3HG2 THR 90 -2.935 15.166 -4.970 677 HG22 THR 90 1HG2 THR 90 -1.564 14.328 -4.246 678 HG23 THR 90 2HG2 THR 90 -2.906 14.861 -3.233 679 H ASN 91 H ASN 91 -2.726 10.267 -4.886 680 HA ASN 91 HA ASN 91 -4.961 8.687 -3.814 681 HB2 ASN 91 2HB ASN 91 -4.390 9.335 -6.705 682 HB3 ASN 91 3HB ASN 91 -5.407 7.980 -6.223 683 HD21 ASN 91 1HD2 ASN 91 -7.420 8.367 -5.347 684 HD22 ASN 91 2HD2 ASN 91 -8.179 9.918 -5.409 Start of MODEL 7 1 H GLY 1 H GLY 1 2.748 0.682 -5.096 2 HA2 GLY 1 2HA GLY 1 1.912 1.801 -3.221 3 HA3 GLY 1 3HA GLY 1 1.430 0.151 -2.858 4 H GLU 2 H GLU 2 4.366 2.166 -2.630 5 HA GLU 2 HA GLU 2 4.762 1.073 0.079 6 HB2 GLU 2 2HB GLU 2 6.669 1.522 -2.159 7 HB3 GLU 2 3HB GLU 2 7.248 1.833 -0.529 8 HG2 GLU 2 2HG GLU 2 6.078 -0.753 -1.528 9 HG3 GLU 2 3HG GLU 2 7.785 -0.424 -1.238 10 H LYS 3 H LYS 3 5.001 3.890 -2.014 11 HA LYS 3 HA LYS 3 5.087 6.123 -1.587 12 HB2 LYS 3 2HB LYS 3 3.720 5.078 0.877 13 HB3 LYS 3 3HB LYS 3 4.083 6.790 0.709 14 HG2 LYS 3 2HG LYS 3 1.871 6.543 -0.022 15 HG3 LYS 3 3HG LYS 3 2.834 6.695 -1.494 16 HD2 LYS 3 2HD LYS 3 2.647 4.412 -1.986 17 HD3 LYS 3 3HD LYS 3 2.142 4.009 -0.344 18 HE2 LYS 3 2HE LYS 3 0.037 5.234 -0.722 19 HE3 LYS 3 3HE LYS 3 0.543 5.559 -2.379 20 HZ1 LYS 3 3HZ LYS 3 0.171 3.426 -3.012 21 HZ2 LYS 3 1HZ LYS 3 -0.972 3.512 -1.767 22 HZ3 LYS 3 2HZ LYS 3 0.525 2.775 -1.491 23 H THR 4 H THR 4 7.342 4.339 -0.788 24 HA THR 4 HA THR 4 8.813 6.342 0.722 25 HB THR 4 HB THR 4 9.706 4.765 2.349 26 HG1 THR 4 HG1 THR 4 8.751 2.656 2.475 27 HG21 THR 4 3HG2 THR 4 7.845 4.651 3.788 28 HG22 THR 4 1HG2 THR 4 6.712 4.490 2.447 29 HG23 THR 4 2HG2 THR 4 7.521 6.030 2.738 30 H VAL 5 H VAL 5 10.971 6.392 0.242 31 HA VAL 5 HA VAL 5 11.821 4.699 -1.977 32 HB VAL 5 HB VAL 5 13.675 6.247 -2.248 33 HG11 VAL 5 1HG1 VAL 5 11.688 6.886 -3.383 34 HG12 VAL 5 2HG1 VAL 5 10.976 7.537 -1.905 35 HG13 VAL 5 3HG1 VAL 5 12.353 8.348 -2.654 36 HG21 VAL 5 3HG2 VAL 5 14.167 6.766 0.050 37 HG22 VAL 5 1HG2 VAL 5 13.823 8.266 -0.811 38 HG23 VAL 5 2HG2 VAL 5 12.604 7.558 0.249 39 H LYS 6 H LYS 6 13.522 3.301 -1.911 40 HA LYS 6 HA LYS 6 14.587 2.693 0.756 41 HB2 LYS 6 2HB LYS 6 13.739 1.088 -1.505 42 HB3 LYS 6 3HB LYS 6 15.372 0.667 -1.004 43 HG2 LYS 6 2HG LYS 6 14.319 -0.698 0.425 44 HG3 LYS 6 3HG LYS 6 14.127 0.766 1.393 45 HD2 LYS 6 2HD LYS 6 11.954 1.094 0.022 46 HD3 LYS 6 3HD LYS 6 12.131 -0.620 -0.361 47 HE2 LYS 6 2HE LYS 6 12.459 0.021 2.478 48 HE3 LYS 6 3HE LYS 6 10.857 0.385 1.838 49 HZ1 LYS 6 3HZ LYS 6 10.415 -1.759 2.112 50 HZ2 LYS 6 1HZ LYS 6 12.032 -2.142 2.428 51 HZ3 LYS 6 2HZ LYS 6 11.472 -2.088 0.833 52 H LEU 7 H LEU 7 16.413 3.813 1.092 53 HA LEU 7 HA LEU 7 18.247 4.472 -1.002 54 HB2 LEU 7 2HB LEU 7 18.444 4.686 1.996 55 HB3 LEU 7 3HB LEU 7 19.677 5.279 0.885 56 HG LEU 7 HG LEU 7 16.835 6.277 1.077 57 HD11 LEU 7 1HD1 LEU 7 17.609 8.091 2.251 58 HD12 LEU 7 2HD1 LEU 7 19.262 7.906 1.665 59 HD13 LEU 7 3HD1 LEU 7 18.635 6.811 2.897 60 HD21 LEU 7 3HD2 LEU 7 18.059 8.136 -0.364 61 HD22 LEU 7 1HD2 LEU 7 17.295 6.730 -1.107 62 HD23 LEU 7 2HD2 LEU 7 19.041 6.753 -0.853 63 H TYR 8 H TYR 8 19.888 3.310 -1.759 64 HA TYR 8 HA TYR 8 20.845 1.032 -0.152 65 HB2 TYR 8 2HB TYR 8 19.807 1.115 -2.852 66 HB3 TYR 8 3HB TYR 8 21.450 0.484 -2.832 67 HD1 TYR 8 HD1 TYR 8 21.850 -1.277 -0.825 68 HD2 TYR 8 HD2 TYR 8 18.110 -0.426 -2.666 69 HE1 TYR 8 HE1 TYR 8 21.003 -3.470 -0.104 70 HE2 TYR 8 HE2 TYR 8 17.252 -2.617 -1.949 71 HH TYR 8 HH TYR 8 18.823 -5.064 -1.240 72 H GLU 9 H GLU 9 23.001 0.806 0.118 73 HA GLU 9 HA GLU 9 24.684 3.015 -0.656 74 HB2 GLU 9 2HB GLU 9 26.377 1.976 0.722 75 HB3 GLU 9 3HB GLU 9 24.843 1.962 1.580 76 HG2 GLU 9 2HG GLU 9 24.732 -0.440 0.371 77 HG3 GLU 9 3HG GLU 9 26.474 -0.269 0.579 78 H ASP 10 H ASP 10 24.301 -0.369 -1.523 79 HA ASP 10 HA ASP 10 26.630 -0.386 -3.227 80 HB2 ASP 10 2HB ASP 10 25.554 -2.381 -1.939 81 HB3 ASP 10 3HB ASP 10 24.464 -2.462 -3.321 82 H THR 11 H THR 11 26.719 0.045 -5.344 83 HA THR 11 HA THR 11 24.391 1.139 -6.641 84 HB THR 11 HB THR 11 26.498 2.237 -7.041 85 HG1 THR 11 HG1 THR 11 26.058 0.913 -9.487 86 HG21 THR 11 3HG2 THR 11 28.187 0.676 -6.772 87 HG22 THR 11 1HG2 THR 11 28.184 0.903 -8.521 88 HG23 THR 11 2HG2 THR 11 27.400 -0.510 -7.813 89 H HIS 12 H HIS 12 23.560 -1.284 -6.214 90 HA HIS 12 HA HIS 12 22.967 -2.355 -8.718 91 HB2 HIS 12 2HB HIS 12 25.528 -3.084 -7.986 92 HB3 HIS 12 3HB HIS 12 24.566 -4.470 -7.482 93 HD1 HIS 12 HD1 HIS 12 25.821 -2.692 -10.490 94 HD2 HIS 12 HD2 HIS 12 23.315 -5.882 -9.593 95 HE1 HIS 12 HE1 HIS 12 25.470 -3.904 -12.666 96 H PHE 13 H PHE 13 21.721 -1.696 -6.215 97 HA PHE 13 HA PHE 13 20.195 -2.476 -4.713 98 HB2 PHE 13 2HB PHE 13 19.776 -4.713 -6.698 99 HB3 PHE 13 3HB PHE 13 18.605 -4.053 -5.562 100 HD1 PHE 13 HD1 PHE 13 18.458 -1.318 -5.868 101 HD2 PHE 13 HD2 PHE 13 19.350 -4.191 -8.879 102 HE1 PHE 13 HE1 PHE 13 17.666 0.249 -7.592 103 HE2 PHE 13 HE2 PHE 13 18.561 -2.628 -10.608 104 HZ PHE 13 HZ PHE 13 17.718 -0.405 -9.966 105 H LYS 14 H LYS 14 22.569 -3.116 -3.788 106 HA LYS 14 HA LYS 14 22.195 -5.821 -2.712 107 HB2 LYS 14 2HB LYS 14 24.358 -4.941 -4.399 108 HB3 LYS 14 3HB LYS 14 24.977 -5.378 -2.812 109 HG2 LYS 14 2HG LYS 14 25.090 -7.406 -3.819 110 HG3 LYS 14 3HG LYS 14 23.439 -7.496 -3.199 111 HD2 LYS 14 2HD LYS 14 23.052 -8.113 -5.360 112 HD3 LYS 14 3HD LYS 14 22.902 -6.363 -5.538 113 HE2 LYS 14 2HE LYS 14 24.480 -6.482 -7.103 114 HE3 LYS 14 3HE LYS 14 25.623 -6.874 -5.820 115 HZ1 LYS 14 3HZ LYS 14 24.803 -8.490 -7.940 116 HZ2 LYS 14 1HZ LYS 14 24.221 -9.200 -6.520 117 HZ3 LYS 14 2HZ LYS 14 25.872 -8.878 -6.688 118 H GLY 15 H GLY 15 23.326 -6.177 -0.662 119 HA2 GLY 15 2HA GLY 15 24.315 -5.449 1.337 120 HA3 GLY 15 3HA GLY 15 24.246 -3.797 0.743 121 H TYR 16 H TYR 16 23.156 -2.700 2.252 122 HA TYR 16 HA TYR 16 20.630 -3.842 3.241 123 HB2 TYR 16 2HB TYR 16 22.699 -3.017 4.749 124 HB3 TYR 16 3HB TYR 16 21.826 -1.495 4.606 125 HD1 TYR 16 HD2 TYR 16 21.708 -4.917 5.922 126 HD2 TYR 16 HD1 TYR 16 19.670 -1.192 5.656 127 HE1 TYR 16 HE2 TYR 16 20.184 -5.630 7.716 128 HE2 TYR 16 HE1 TYR 16 18.140 -1.894 7.450 129 HH TYR 16 HH TYR 16 17.348 -4.379 8.325 130 H SER 17 H SER 17 18.808 -2.445 3.477 131 HA SER 17 HA SER 17 18.911 -0.023 1.805 132 HB2 SER 17 2HB SER 17 16.289 -1.073 1.664 133 HB3 SER 17 3HB SER 17 17.477 -0.965 0.366 134 HG SER 17 HG SER 17 16.837 -3.107 0.631 135 H VAL 18 H VAL 18 17.737 1.726 2.497 136 HA VAL 18 HA VAL 18 16.354 1.434 5.085 137 HB VAL 18 HB VAL 18 18.037 3.772 4.172 138 HG11 VAL 18 1HG1 VAL 18 17.597 4.706 6.389 139 HG12 VAL 18 2HG1 VAL 18 16.103 4.495 5.474 140 HG13 VAL 18 3HG1 VAL 18 16.526 3.352 6.749 141 HG21 VAL 18 3HG2 VAL 18 19.595 2.216 4.853 142 HG22 VAL 18 1HG2 VAL 18 19.262 3.056 6.367 143 HG23 VAL 18 2HG2 VAL 18 18.512 1.493 6.042 144 H GLU 19 H GLU 19 14.321 2.150 5.153 145 HA GLU 19 HA GLU 19 13.137 3.288 2.789 146 HB2 GLU 19 2HB GLU 19 11.027 3.169 4.085 147 HB3 GLU 19 3HB GLU 19 11.884 1.635 4.027 148 HG2 GLU 19 2HG GLU 19 12.446 3.389 6.336 149 HG3 GLU 19 3HG GLU 19 10.850 2.643 6.264 150 H LEU 20 H LEU 20 12.419 5.339 2.474 151 HA LEU 20 HA LEU 20 12.702 7.259 4.677 152 HB2 LEU 20 2HB LEU 20 14.072 7.251 2.059 153 HB3 LEU 20 3HB LEU 20 13.432 8.801 2.602 154 HG LEU 20 HG LEU 20 15.782 8.568 3.184 155 HD11 LEU 20 1HD1 LEU 20 15.565 9.540 5.214 156 HD12 LEU 20 2HD1 LEU 20 14.500 8.278 5.831 157 HD13 LEU 20 3HD1 LEU 20 13.859 9.531 4.768 158 HD21 LEU 20 3HD2 LEU 20 16.704 6.755 4.131 159 HD22 LEU 20 1HD2 LEU 20 15.248 5.931 3.571 160 HD23 LEU 20 2HD2 LEU 20 15.346 6.515 5.232 161 HA PRO 21 HA PRO 21 8.559 7.738 2.778 162 HB2 PRO 21 2HB PRO 21 7.353 8.453 5.103 163 HB3 PRO 21 3HB PRO 21 7.620 6.768 4.637 164 HG2 PRO 21 2HG PRO 21 9.207 8.493 6.500 165 HG3 PRO 21 3HG PRO 21 8.713 6.800 6.689 166 HD2 PRO 21 2HD PRO 21 11.204 7.512 5.901 167 HD3 PRO 21 3HD PRO 21 10.416 6.022 5.344 168 H VAL 22 H VAL 22 7.011 9.652 3.006 169 HA VAL 22 HA VAL 22 8.064 11.969 2.114 170 HB VAL 22 HB VAL 22 5.685 11.689 2.147 171 HG11 VAL 22 1HG1 VAL 22 4.974 12.298 4.825 172 HG12 VAL 22 2HG1 VAL 22 4.634 10.832 3.904 173 HG13 VAL 22 3HG1 VAL 22 6.114 10.953 4.857 174 HG21 VAL 22 3HG2 VAL 22 5.783 13.961 4.009 175 HG22 VAL 22 1HG2 VAL 22 6.928 14.038 2.670 176 HG23 VAL 22 2HG2 VAL 22 5.202 13.879 2.346 177 H GLY 23 H GLY 23 9.659 13.180 2.893 178 HA2 GLY 23 2HA GLY 23 9.551 14.747 5.138 179 HA3 GLY 23 3HA GLY 23 10.308 13.258 5.685 180 H ASP 24 H ASP 24 12.066 14.854 6.153 181 HA ASP 24 HA ASP 24 13.878 14.953 3.850 182 HB2 ASP 24 2HB ASP 24 14.633 17.236 4.984 183 HB3 ASP 24 3HB ASP 24 13.352 17.183 3.777 184 H TYR 25 H TYR 25 15.919 14.358 4.304 185 HA TYR 25 HA TYR 25 16.714 14.175 7.131 186 HB2 TYR 25 2HB TYR 25 17.982 12.047 6.353 187 HB3 TYR 25 3HB TYR 25 16.255 11.935 6.676 188 HD1 TYR 25 HD2 TYR 25 14.697 12.289 4.598 189 HD2 TYR 25 HD1 TYR 25 18.810 11.231 4.349 190 HE1 TYR 25 HE2 TYR 25 14.326 11.405 2.333 191 HE2 TYR 25 HE1 TYR 25 18.451 10.345 2.082 192 HH TYR 25 HH TYR 25 15.971 9.388 0.853 193 H ASN 26 H ASN 26 18.693 14.932 7.587 194 HA ASN 26 HA ASN 26 20.336 15.859 5.341 195 HB2 ASN 26 2HB ASN 26 20.803 16.626 8.207 196 HB3 ASN 26 3HB ASN 26 21.200 17.520 6.743 197 HD21 ASN 26 1HD2 ASN 26 19.755 18.918 5.913 198 HD22 ASN 26 2HD2 ASN 26 18.197 19.228 6.593 199 H LEU 27 H LEU 27 22.781 16.113 6.520 200 HA LEU 27 HA LEU 27 23.954 13.636 6.183 201 HB2 LEU 27 2HB LEU 27 25.355 15.505 6.059 202 HB3 LEU 27 3HB LEU 27 24.837 16.106 7.633 203 HG LEU 27 HG LEU 27 26.206 13.509 7.707 204 HD11 LEU 27 1HD1 LEU 27 28.267 14.100 6.973 205 HD12 LEU 27 2HD1 LEU 27 28.036 15.808 7.346 206 HD13 LEU 27 3HD1 LEU 27 27.312 15.117 5.894 207 HD21 LEU 27 3HD2 LEU 27 25.958 14.330 9.806 208 HD22 LEU 27 1HD2 LEU 27 26.007 16.012 9.275 209 HD23 LEU 27 2HD2 LEU 27 27.504 15.090 9.422 210 H SER 28 H SER 28 23.291 15.271 9.283 211 HA SER 28 HA SER 28 24.099 13.165 10.938 212 HB2 SER 28 2HB SER 28 22.479 15.624 11.260 213 HB3 SER 28 3HB SER 28 22.222 14.367 12.470 214 HG SER 28 HG SER 28 24.177 16.103 12.389 215 H SER 29 H SER 29 21.176 13.673 9.144 216 HA SER 29 HA SER 29 19.597 11.771 10.599 217 HB2 SER 29 2HB SER 29 19.104 12.830 7.809 218 HB3 SER 29 3HB SER 29 17.918 12.127 8.910 219 HG SER 29 HG SER 29 18.182 13.910 10.264 220 H LEU 30 H LEU 30 21.533 11.735 7.655 221 HA LEU 30 HA LEU 30 20.793 9.311 6.564 222 HB2 LEU 30 2HB LEU 30 23.447 10.713 6.667 223 HB3 LEU 30 3HB LEU 30 23.223 9.202 5.787 224 HG LEU 30 HG LEU 30 21.423 11.500 5.176 225 HD11 LEU 30 1HD1 LEU 30 23.622 11.572 3.393 226 HD12 LEU 30 2HD1 LEU 30 24.254 11.685 5.035 227 HD13 LEU 30 3HD1 LEU 30 23.043 12.838 4.476 228 HD21 LEU 30 3HD2 LEU 30 22.337 8.990 3.922 229 HD22 LEU 30 1HD2 LEU 30 22.104 10.362 2.839 230 HD23 LEU 30 2HD2 LEU 30 20.770 9.797 3.844 231 H ILE 31 H ILE 31 23.345 9.896 8.979 232 HA ILE 31 HA ILE 31 23.984 7.155 9.326 233 HB ILE 31 HB ILE 31 24.463 9.482 11.192 234 HG12 ILE 31 2HG1 ILE 31 26.876 8.906 10.152 235 HG13 ILE 31 3HG1 ILE 31 25.862 8.422 8.797 236 HG21 ILE 31 1HG2 ILE 31 25.681 6.724 11.159 237 HG22 ILE 31 2HG2 ILE 31 26.193 8.056 12.193 238 HG23 ILE 31 3HG2 ILE 31 24.580 7.366 12.377 239 HD11 ILE 31 3HD1 ILE 31 25.332 11.062 10.025 240 HD12 ILE 31 1HD1 ILE 31 26.798 10.880 9.062 241 HD13 ILE 31 2HD1 ILE 31 25.222 10.547 8.342 242 H SER 32 H SER 32 21.562 9.239 10.679 243 HA SER 32 HA SER 32 20.957 7.940 13.056 244 HB2 SER 32 2HB SER 32 19.968 10.112 12.083 245 HB3 SER 32 3HB SER 32 18.820 9.062 11.252 246 HG SER 32 HG SER 32 18.705 9.929 13.739 247 H ARG 33 H ARG 33 20.356 6.980 9.781 248 HA ARG 33 HA ARG 33 18.752 4.700 10.732 249 HB2 ARG 33 2HB ARG 33 18.938 5.651 7.878 250 HB3 ARG 33 3HB ARG 33 17.748 4.566 8.583 251 HG2 ARG 33 2HG ARG 33 17.086 6.578 10.040 252 HG3 ARG 33 3HG ARG 33 17.982 7.535 8.859 253 HD2 ARG 33 2HD ARG 33 15.786 7.579 8.072 254 HD3 ARG 33 3HD ARG 33 16.563 6.333 7.097 255 HE ARG 33 HE ARG 33 15.164 4.784 8.032 256 HH11 ARG 33 1HH1 ARG 33 15.117 7.675 9.972 257 HH12 ARG 33 2HH1 ARG 33 13.821 7.130 10.985 258 HH21 ARG 33 1HH2 ARG 33 13.458 4.056 9.360 259 HH22 ARG 33 2HH2 ARG 33 12.879 5.071 10.637 260 H GLY 34 H GLY 34 21.752 5.086 10.611 261 HA2 GLY 34 2HA GLY 34 23.532 3.664 10.284 262 HA3 GLY 34 3HA GLY 34 22.385 2.448 9.743 263 H ALA 35 H ALA 35 23.116 5.663 8.421 264 HA ALA 35 HA ALA 35 24.196 4.383 6.012 265 HB1 ALA 35 1HB ALA 35 21.652 5.668 6.189 266 HB2 ALA 35 2HB ALA 35 22.706 6.609 5.134 267 HB3 ALA 35 3HB ALA 35 22.416 4.903 4.796 268 H LEU 36 H LEU 36 26.125 5.212 5.594 269 HA LEU 36 HA LEU 36 27.005 7.654 6.825 270 HB2 LEU 36 2HB LEU 36 28.256 5.381 6.010 271 HB3 LEU 36 3HB LEU 36 28.671 6.491 4.705 272 HG LEU 36 HG LEU 36 30.408 6.396 6.431 273 HD11 LEU 36 1HD1 LEU 36 29.593 8.550 5.132 274 HD12 LEU 36 2HD1 LEU 36 30.875 8.623 6.341 275 HD13 LEU 36 3HD1 LEU 36 29.232 9.101 6.768 276 HD21 LEU 36 3HD2 LEU 36 28.155 6.560 8.183 277 HD22 LEU 36 1HD2 LEU 36 29.245 7.910 8.502 278 HD23 LEU 36 2HD2 LEU 36 29.848 6.254 8.573 279 H ASN 37 H ASN 37 27.582 9.576 5.823 280 HA ASN 37 HA ASN 37 25.977 10.545 3.802 281 HB2 ASN 37 2HB ASN 37 27.738 11.686 5.476 282 HB3 ASN 37 3HB ASN 37 28.702 11.712 4.002 283 HD21 ASN 37 1HD2 ASN 37 25.859 12.901 5.594 284 HD22 ASN 37 2HD2 ASN 37 25.506 14.162 4.467 285 H ASP 38 H ASP 38 29.462 9.874 3.423 286 HA ASP 38 HA ASP 38 29.125 9.696 0.545 287 HB2 ASP 38 2HB ASP 38 31.607 9.409 0.541 288 HB3 ASP 38 3HB ASP 38 31.067 10.889 1.331 289 H ASP 39 H ASP 39 28.024 7.819 0.123 290 HA ASP 39 HA ASP 39 29.466 5.444 -0.118 291 HB2 ASP 39 2HB ASP 39 29.391 5.127 2.234 292 HB3 ASP 39 3HB ASP 39 27.696 5.601 2.318 293 H LEU 40 H LEU 40 26.292 6.901 0.333 294 HA LEU 40 HA LEU 40 24.660 5.001 -0.818 295 HB2 LEU 40 2HB LEU 40 24.328 7.539 0.099 296 HB3 LEU 40 3HB LEU 40 24.070 7.760 -1.630 297 HG LEU 40 HG LEU 40 22.295 6.039 -1.547 298 HD11 LEU 40 1HD1 LEU 40 21.965 4.734 0.218 299 HD12 LEU 40 2HD1 LEU 40 21.877 6.121 1.303 300 HD13 LEU 40 3HD1 LEU 40 23.441 5.407 0.911 301 HD21 LEU 40 3HD2 LEU 40 21.182 7.985 -1.451 302 HD22 LEU 40 1HD2 LEU 40 22.227 8.637 -0.188 303 HD23 LEU 40 2HD2 LEU 40 20.905 7.549 0.236 304 H SER 41 H SER 41 24.633 4.070 -2.745 305 HA SER 41 HA SER 41 25.520 5.615 -5.084 306 HB2 SER 41 2HB SER 41 27.091 3.680 -4.020 307 HB3 SER 41 3HB SER 41 26.116 2.716 -5.128 308 HG SER 41 HG SER 41 28.089 4.533 -5.661 309 H SER 42 H SER 42 23.002 4.211 -3.680 310 HA SER 42 HA SER 42 21.645 3.768 -6.203 311 HB2 SER 42 2HB SER 42 22.172 1.532 -6.037 312 HB3 SER 42 3HB SER 42 22.271 1.575 -4.276 313 HG SER 42 HG SER 42 20.202 0.869 -5.823 314 H ALA 43 H ALA 43 19.376 3.874 -6.041 315 HA ALA 43 HA ALA 43 18.172 4.321 -3.437 316 HB1 ALA 43 1HB ALA 43 18.309 6.479 -5.533 317 HB2 ALA 43 2HB ALA 43 17.188 6.502 -4.170 318 HB3 ALA 43 3HB ALA 43 18.928 6.537 -3.882 319 H ARG 44 H ARG 44 16.223 3.414 -3.398 320 HA ARG 44 HA ARG 44 14.984 2.644 -5.930 321 HB2 ARG 44 2HB ARG 44 15.213 1.435 -3.354 322 HB3 ARG 44 3HB ARG 44 13.506 1.674 -3.702 323 HG2 ARG 44 2HG ARG 44 13.625 0.367 -5.668 324 HG3 ARG 44 3HG ARG 44 15.390 0.353 -5.633 325 HD2 ARG 44 2HD ARG 44 15.465 -1.343 -4.166 326 HD3 ARG 44 3HD ARG 44 14.137 -0.693 -3.204 327 HE ARG 44 HE ARG 44 13.963 -2.642 -5.318 328 HH11 ARG 44 1HH1 ARG 44 12.250 -0.261 -3.444 329 HH12 ARG 44 2HH1 ARG 44 10.694 -0.968 -3.725 330 HH21 ARG 44 1HH2 ARG 44 11.920 -3.584 -5.696 331 HH22 ARG 44 2HH2 ARG 44 10.507 -2.859 -5.006 332 H VAL 45 H VAL 45 13.396 3.818 -6.757 333 HA VAL 45 HA VAL 45 11.356 4.966 -5.052 334 HB VAL 45 HB VAL 45 12.865 6.807 -4.995 335 HG11 VAL 45 1HG1 VAL 45 13.601 5.885 -7.596 336 HG12 VAL 45 2HG1 VAL 45 13.178 7.596 -7.685 337 HG13 VAL 45 3HG1 VAL 45 14.422 7.051 -6.559 338 HG21 VAL 45 3HG2 VAL 45 10.386 7.159 -5.634 339 HG22 VAL 45 1HG2 VAL 45 11.505 8.513 -5.795 340 HG23 VAL 45 2HG2 VAL 45 11.020 7.594 -7.221 341 HA PRO 46 HA PRO 46 9.728 3.345 -9.033 342 HB2 PRO 46 2HB PRO 46 7.469 2.320 -7.930 343 HB3 PRO 46 3HB PRO 46 9.005 1.446 -7.961 344 HG2 PRO 46 2HG PRO 46 7.764 3.017 -5.736 345 HG3 PRO 46 3HG PRO 46 8.585 1.447 -5.674 346 HD2 PRO 46 2HD PRO 46 9.803 3.756 -4.956 347 HD3 PRO 46 3HD PRO 46 10.683 2.401 -5.692 348 H SER 47 H SER 47 7.525 3.718 -10.016 349 HA SER 47 HA SER 47 6.915 6.402 -10.152 350 HB2 SER 47 2HB SER 47 4.666 4.512 -10.611 351 HB3 SER 47 3HB SER 47 5.277 5.809 -11.638 352 HG SER 47 HG SER 47 5.804 3.863 -12.588 353 H GLY 48 H GLY 48 5.555 7.785 -9.124 354 HA2 GLY 48 2HA GLY 48 3.681 8.321 -7.753 355 HA3 GLY 48 3HA GLY 48 3.774 6.713 -7.050 356 H LEU 49 H LEU 49 6.491 8.910 -7.479 357 HA LEU 49 HA LEU 49 6.485 10.008 -4.886 358 HB2 LEU 49 2HB LEU 49 7.004 7.462 -4.588 359 HB3 LEU 49 3HB LEU 49 8.613 7.929 -5.134 360 HG LEU 49 HG LEU 49 7.361 9.387 -2.847 361 HD11 LEU 49 1HD1 LEU 49 8.356 6.580 -2.841 362 HD12 LEU 49 2HD1 LEU 49 7.033 7.311 -1.934 363 HD13 LEU 49 3HD1 LEU 49 8.703 7.616 -1.456 364 HD21 LEU 49 3HD2 LEU 49 10.139 8.754 -3.793 365 HD22 LEU 49 1HD2 LEU 49 9.821 9.336 -2.159 366 HD23 LEU 49 2HD2 LEU 49 9.386 10.331 -3.549 367 H ARG 50 H ARG 50 7.921 11.653 -4.761 368 HA ARG 50 HA ARG 50 10.040 11.772 -6.803 369 HB2 ARG 50 2HB ARG 50 8.148 13.232 -7.427 370 HB3 ARG 50 3HB ARG 50 8.304 14.072 -5.890 371 HG2 ARG 50 2HG ARG 50 10.788 14.406 -6.756 372 HG3 ARG 50 3HG ARG 50 9.989 14.226 -8.320 373 HD2 ARG 50 2HD ARG 50 8.294 15.945 -7.194 374 HD3 ARG 50 3HD ARG 50 9.744 16.372 -6.288 375 HE ARG 50 HE ARG 50 10.311 16.261 -9.056 376 HH11 ARG 50 1HH1 ARG 50 8.701 18.217 -6.668 377 HH12 ARG 50 2HH1 ARG 50 8.920 19.697 -7.543 378 HH21 ARG 50 1HH2 ARG 50 10.606 18.202 -10.217 379 HH22 ARG 50 2HH2 ARG 50 10.003 19.687 -9.562 380 H LEU 51 H LEU 51 12.005 12.471 -6.134 381 HA LEU 51 HA LEU 51 12.243 13.581 -3.427 382 HB2 LEU 51 2HB LEU 51 14.209 12.152 -3.025 383 HB3 LEU 51 3HB LEU 51 12.711 11.238 -3.191 384 HG LEU 51 HG LEU 51 13.729 11.204 -5.745 385 HD11 LEU 51 1HD1 LEU 51 15.959 11.310 -3.764 386 HD12 LEU 51 2HD1 LEU 51 15.853 12.016 -5.376 387 HD13 LEU 51 3HD1 LEU 51 16.097 10.279 -5.188 388 HD21 LEU 51 3HD2 LEU 51 12.709 9.372 -4.367 389 HD22 LEU 51 1HD2 LEU 51 14.293 9.140 -3.626 390 HD23 LEU 51 2HD2 LEU 51 14.084 8.884 -5.359 391 H GLU 52 H GLU 52 14.209 14.760 -3.043 392 HA GLU 52 HA GLU 52 15.665 15.539 -5.475 393 HB2 GLU 52 2HB GLU 52 14.460 17.387 -3.414 394 HB3 GLU 52 3HB GLU 52 15.659 17.900 -4.592 395 HG2 GLU 52 2HG GLU 52 14.167 18.003 -6.250 396 HG3 GLU 52 3HG GLU 52 13.367 16.512 -5.757 397 H VAL 53 H VAL 53 17.772 15.262 -5.221 398 HA VAL 53 HA VAL 53 18.880 14.936 -2.552 399 HB VAL 53 HB VAL 53 20.315 14.671 -5.194 400 HG11 VAL 53 1HG1 VAL 53 21.702 13.078 -3.710 401 HG12 VAL 53 2HG1 VAL 53 21.941 14.818 -3.539 402 HG13 VAL 53 3HG1 VAL 53 20.962 13.942 -2.362 403 HG21 VAL 53 3HG2 VAL 53 19.023 12.888 -5.565 404 HG22 VAL 53 1HG2 VAL 53 19.871 12.125 -4.219 405 HG23 VAL 53 2HG2 VAL 53 18.337 12.950 -3.942 406 H PHE 54 H PHE 54 20.389 16.244 -1.616 407 HA PHE 54 HA PHE 54 21.213 18.643 -3.105 408 HB2 PHE 54 2HB PHE 54 20.530 18.728 -0.173 409 HB3 PHE 54 3HB PHE 54 20.724 20.074 -1.291 410 HD1 PHE 54 HD1 PHE 54 18.993 20.416 -3.083 411 HD2 PHE 54 HD2 PHE 54 18.440 17.731 0.173 412 HE1 PHE 54 HE1 PHE 54 16.565 20.435 -3.484 413 HE2 PHE 54 HE2 PHE 54 16.012 17.745 -0.223 414 HZ PHE 54 HZ PHE 54 15.072 19.098 -2.054 415 H GLN 55 H GLN 55 23.283 17.905 -3.460 416 HA GLN 55 HA GLN 55 24.935 16.591 -1.652 417 HB2 GLN 55 2HB GLN 55 25.234 17.158 -4.197 418 HB3 GLN 55 3HB GLN 55 26.087 18.568 -3.582 419 HG2 GLN 55 2HG GLN 55 27.556 17.032 -2.289 420 HG3 GLN 55 3HG GLN 55 26.767 15.679 -3.100 421 HE21 GLN 55 1HE2 GLN 55 29.362 15.752 -3.412 422 HE22 GLN 55 2HE2 GLN 55 29.820 16.327 -4.975 423 H HIS 56 H HIS 56 24.388 20.043 -2.126 424 HA HIS 56 HA HIS 56 26.336 20.735 -0.085 425 HB2 HIS 56 2HB HIS 56 24.602 22.307 -1.965 426 HB3 HIS 56 3HB HIS 56 25.360 23.099 -0.587 427 HD1 HIS 56 HD1 HIS 56 27.170 24.434 -1.658 428 HD2 HIS 56 HD2 HIS 56 27.102 20.508 -3.014 429 HE1 HIS 56 HE1 HIS 56 29.211 24.187 -3.105 430 H ASN 57 H ASN 57 25.839 21.783 1.865 431 HA ASN 57 HA ASN 57 23.264 21.014 2.973 432 HB2 ASN 57 2HB ASN 57 25.663 20.814 4.067 433 HB3 ASN 57 3HB ASN 57 25.334 22.471 4.564 434 HD21 ASN 57 1HD2 ASN 57 24.251 22.756 6.378 435 HD22 ASN 57 2HD2 ASN 57 23.317 21.556 7.197 436 H ASN 58 H ASN 58 22.199 22.606 4.501 437 HA ASN 58 HA ASN 58 21.083 24.558 4.842 438 HB2 ASN 58 2HB ASN 58 23.574 25.335 4.975 439 HB3 ASN 58 3HB ASN 58 23.241 26.077 3.413 440 HD21 ASN 58 1HD2 ASN 58 23.574 28.126 4.326 441 HD22 ASN 58 2HD2 ASN 58 22.376 28.874 5.320 442 H PHE 59 H PHE 59 21.154 23.060 2.142 443 HA PHE 59 HA PHE 59 20.226 23.237 0.067 444 HB2 PHE 59 2HB PHE 59 18.501 24.909 1.839 445 HB3 PHE 59 3HB PHE 59 18.202 24.950 0.105 446 HD1 PHE 59 HD1 PHE 59 18.673 22.531 2.897 447 HD2 PHE 59 HD2 PHE 59 16.801 23.379 -0.831 448 HE1 PHE 59 HE1 PHE 59 17.377 20.447 3.077 449 HE2 PHE 59 HE2 PHE 59 15.501 21.298 -0.656 450 HZ PHE 59 HZ PHE 59 15.787 19.829 1.300 451 H LYS 60 H LYS 60 22.508 24.498 -0.065 452 HA LYS 60 HA LYS 60 21.983 27.159 -1.205 453 HB2 LYS 60 2HB LYS 60 23.622 27.277 0.533 454 HB3 LYS 60 3HB LYS 60 24.505 25.903 -0.122 455 HG2 LYS 60 2HG LYS 60 24.202 28.183 -1.951 456 HG3 LYS 60 3HG LYS 60 25.187 28.483 -0.517 457 HD2 LYS 60 2HD LYS 60 25.994 25.977 -1.447 458 HD3 LYS 60 3HD LYS 60 25.812 26.969 -2.896 459 HE2 LYS 60 2HE LYS 60 28.027 27.313 -2.222 460 HE3 LYS 60 3HE LYS 60 27.164 28.735 -1.640 461 HZ1 LYS 60 3HZ LYS 60 28.416 28.121 0.176 462 HZ2 LYS 60 1HZ LYS 60 28.234 26.463 -0.104 463 HZ3 LYS 60 2HZ LYS 60 26.943 27.362 0.515 464 H GLY 61 H GLY 61 24.287 24.486 -1.775 465 HA2 GLY 61 2HA GLY 61 24.854 25.121 -4.430 466 HA3 GLY 61 3HA GLY 61 25.026 23.522 -3.722 467 H VAL 62 H VAL 62 24.360 23.658 -6.324 468 HA VAL 62 HA VAL 62 21.708 23.865 -7.062 469 HB VAL 62 HB VAL 62 22.199 22.312 -8.890 470 HG11 VAL 62 1HG1 VAL 62 23.737 24.658 -8.229 471 HG12 VAL 62 2HG1 VAL 62 24.669 23.558 -9.247 472 HG13 VAL 62 3HG1 VAL 62 23.093 24.139 -9.787 473 HG21 VAL 62 3HG2 VAL 62 24.748 21.558 -8.845 474 HG22 VAL 62 1HG2 VAL 62 24.448 21.567 -7.107 475 HG23 VAL 62 2HG2 VAL 62 23.462 20.560 -8.166 476 H ARG 63 H ARG 63 19.995 22.394 -7.255 477 HA ARG 63 HA ARG 63 20.155 20.106 -5.407 478 HB2 ARG 63 2HB ARG 63 17.718 20.365 -5.114 479 HB3 ARG 63 3HB ARG 63 18.605 21.802 -4.624 480 HG2 ARG 63 2HG ARG 63 18.044 22.855 -6.776 481 HG3 ARG 63 3HG ARG 63 17.102 21.425 -7.205 482 HD2 ARG 63 2HD ARG 63 15.378 22.520 -6.287 483 HD3 ARG 63 3HD ARG 63 16.096 22.051 -4.746 484 HE ARG 63 HE ARG 63 17.332 24.402 -5.431 485 HH11 ARG 63 1HH1 ARG 63 14.050 23.362 -4.911 486 HH12 ARG 63 2HH1 ARG 63 13.510 24.912 -4.355 487 HH21 ARG 63 1HH2 ARG 63 16.633 26.446 -4.699 488 HH22 ARG 63 2HH2 ARG 63 14.979 26.665 -4.236 489 H ASP 64 H ASP 64 19.350 18.126 -6.032 490 HA ASP 64 HA ASP 64 18.838 17.839 -8.912 491 HB2 ASP 64 2HB ASP 64 20.507 16.416 -7.105 492 HB3 ASP 64 3HB ASP 64 19.237 15.314 -7.630 493 H PHE 65 H PHE 65 17.496 15.694 -9.308 494 HA PHE 65 HA PHE 65 15.354 15.286 -7.420 495 HB2 PHE 65 2HB PHE 65 13.604 15.865 -9.185 496 HB3 PHE 65 3HB PHE 65 14.412 17.221 -8.405 497 HD1 PHE 65 HD2 PHE 65 16.053 18.556 -9.623 498 HD2 PHE 65 HD1 PHE 65 13.919 15.393 -11.509 499 HE1 PHE 65 HE2 PHE 65 16.705 19.434 -11.827 500 HE2 PHE 65 HE1 PHE 65 14.569 16.265 -13.716 501 HZ PHE 65 HZ PHE 65 15.963 18.289 -13.877 502 H TYR 66 H TYR 66 14.848 13.205 -7.482 503 HA TYR 66 HA TYR 66 15.211 11.746 -10.018 504 HB2 TYR 66 2HB TYR 66 16.389 11.272 -7.432 505 HB3 TYR 66 3HB TYR 66 15.394 9.897 -7.899 506 HD1 TYR 66 HD1 TYR 66 15.741 9.634 -10.729 507 HD2 TYR 66 HD2 TYR 66 18.611 10.765 -7.799 508 HE1 TYR 66 HE1 TYR 66 17.544 8.822 -12.191 509 HE2 TYR 66 HE2 TYR 66 20.422 9.957 -9.253 510 HH TYR 66 HH TYR 66 19.758 8.729 -12.507 511 H THR 67 H THR 67 13.694 10.189 -10.554 512 HA THR 67 HA THR 67 11.423 9.783 -8.760 513 HB THR 67 HB THR 67 9.783 10.260 -10.511 514 HG1 THR 67 HG1 THR 67 10.921 9.939 -12.391 515 HG21 THR 67 3HG2 THR 67 10.668 12.054 -8.925 516 HG22 THR 67 1HG2 THR 67 9.827 12.612 -10.370 517 HG23 THR 67 2HG2 THR 67 11.589 12.657 -10.303 518 H SER 68 H SER 68 13.542 8.043 -9.572 519 HA SER 68 HA SER 68 12.039 5.766 -10.318 520 HB2 SER 68 2HB SER 68 13.348 5.329 -12.474 521 HB3 SER 68 3HB SER 68 12.065 6.536 -12.560 522 HG SER 68 HG SER 68 13.597 7.759 -13.320 523 H ASP 69 H ASP 69 13.332 3.815 -10.375 524 HA ASP 69 HA ASP 69 15.229 3.638 -8.388 525 HB2 ASP 69 2HB ASP 69 15.057 1.836 -10.811 526 HB3 ASP 69 3HB ASP 69 15.763 1.429 -9.249 527 H ALA 70 H ALA 70 16.996 4.896 -8.340 528 HA ALA 70 HA ALA 70 18.620 5.190 -10.757 529 HB1 ALA 70 1HB ALA 70 19.050 6.584 -8.127 530 HB2 ALA 70 2HB ALA 70 19.651 7.045 -9.720 531 HB3 ALA 70 3HB ALA 70 17.931 7.177 -9.354 532 H ALA 71 H ALA 71 20.426 4.065 -11.053 533 HA ALA 71 HA ALA 71 21.444 2.429 -8.856 534 HB1 ALA 71 1HB ALA 71 20.910 1.509 -11.173 535 HB2 ALA 71 2HB ALA 71 22.382 2.321 -11.707 536 HB3 ALA 71 3HB ALA 71 22.465 1.067 -10.469 537 H GLU 72 H GLU 72 21.924 5.314 -8.940 538 HA GLU 72 HA GLU 72 24.597 5.379 -8.154 539 HB2 GLU 72 2HB GLU 72 24.307 5.429 -10.974 540 HB3 GLU 72 3HB GLU 72 24.781 7.047 -10.474 541 HG2 GLU 72 2HG GLU 72 26.676 6.043 -9.224 542 HG3 GLU 72 3HG GLU 72 26.235 4.477 -9.901 543 H LEU 73 H LEU 73 24.707 7.029 -6.788 544 HA LEU 73 HA LEU 73 22.695 8.855 -6.333 545 HB2 LEU 73 2HB LEU 73 25.480 8.533 -5.507 546 HB3 LEU 73 3HB LEU 73 24.921 10.204 -5.471 547 HG LEU 73 HG LEU 73 24.745 8.842 -3.319 548 HD11 LEU 73 1HD1 LEU 73 22.053 9.870 -3.979 549 HD12 LEU 73 2HD1 LEU 73 23.405 10.983 -4.184 550 HD13 LEU 73 3HD1 LEU 73 23.108 10.236 -2.614 551 HD21 LEU 73 3HD2 LEU 73 23.837 6.807 -4.354 552 HD22 LEU 73 1HD2 LEU 73 22.373 7.692 -4.785 553 HD23 LEU 73 2HD2 LEU 73 22.781 7.435 -3.088 554 H SER 74 H SER 74 22.922 11.292 -6.450 555 HA SER 74 HA SER 74 22.770 12.197 -9.025 556 HB2 SER 74 2HB SER 74 23.499 14.485 -7.904 557 HB3 SER 74 3HB SER 74 21.950 13.736 -7.514 558 HG SER 74 HG SER 74 23.175 14.391 -5.655 559 H ARG 75 H ARG 75 25.492 13.232 -6.986 560 HA ARG 75 HA ARG 75 27.221 13.039 -9.362 561 HB2 ARG 75 2HB ARG 75 26.799 15.146 -7.434 562 HB3 ARG 75 3HB ARG 75 28.487 14.653 -7.442 563 HG2 ARG 75 2HG ARG 75 28.792 15.270 -9.655 564 HG3 ARG 75 3HG ARG 75 27.064 15.227 -10.007 565 HD2 ARG 75 2HD ARG 75 26.688 17.294 -9.104 566 HD3 ARG 75 3HD ARG 75 28.024 17.156 -7.963 567 HE ARG 75 HE ARG 75 29.177 17.278 -10.461 568 HH11 ARG 75 1HH1 ARG 75 27.103 19.296 -8.527 569 HH12 ARG 75 2HH1 ARG 75 27.688 20.777 -9.210 570 HH21 ARG 75 1HH2 ARG 75 29.956 19.220 -11.369 571 HH22 ARG 75 2HH2 ARG 75 29.310 20.733 -10.827 572 H ASP 76 H ASP 76 27.897 13.309 -5.882 573 HA ASP 76 HA ASP 76 29.634 10.943 -6.134 574 HB2 ASP 76 2HB ASP 76 30.480 13.384 -5.454 575 HB3 ASP 76 3HB ASP 76 29.973 12.832 -3.860 576 H ASN 77 H ASN 77 29.796 9.541 -4.265 577 HA ASN 77 HA ASN 77 27.371 8.632 -3.313 578 HB2 ASN 77 2HB ASN 77 29.938 8.323 -1.760 579 HB3 ASN 77 3HB ASN 77 28.591 7.194 -1.874 580 HD21 ASN 77 1HD2 ASN 77 28.130 6.467 -4.181 581 HD22 ASN 77 2HD2 ASN 77 29.510 6.035 -5.127 582 H ASP 78 H ASP 78 29.349 11.217 -2.131 583 HA ASP 78 HA ASP 78 28.049 11.369 0.441 584 HB2 ASP 78 2HB ASP 78 30.460 12.095 -0.135 585 HB3 ASP 78 3HB ASP 78 29.716 13.552 -0.787 586 H ALA 79 H ALA 79 26.567 12.904 1.116 587 HA ALA 79 HA ALA 79 25.589 14.924 -0.693 588 HB1 ALA 79 1HB ALA 79 23.615 14.041 -1.333 589 HB2 ALA 79 2HB ALA 79 24.459 12.513 -1.080 590 HB3 ALA 79 3HB ALA 79 23.399 13.153 0.176 591 H SER 80 H SER 80 25.174 16.641 0.520 592 HA SER 80 HA SER 80 25.273 16.745 3.269 593 HB2 SER 80 2HB SER 80 24.248 18.555 1.150 594 HB3 SER 80 3HB SER 80 23.719 18.891 2.798 595 HG SER 80 HG SER 80 25.929 18.946 3.403 596 H SER 81 H SER 81 22.233 17.361 1.525 597 HA SER 81 HA SER 81 20.826 15.633 3.430 598 HB2 SER 81 2HB SER 81 20.448 17.706 4.468 599 HB3 SER 81 3HB SER 81 20.299 18.553 2.929 600 HG SER 81 HG SER 81 18.239 18.294 3.274 601 H VAL 82 H VAL 82 18.615 15.109 2.735 602 HA VAL 82 HA VAL 82 18.099 15.488 -0.121 603 HB VAL 82 HB VAL 82 17.766 12.740 1.022 604 HG11 VAL 82 1HG1 VAL 82 18.615 13.126 -1.753 605 HG12 VAL 82 2HG1 VAL 82 17.307 12.144 -1.090 606 HG13 VAL 82 3HG1 VAL 82 17.065 13.870 -1.359 607 HG21 VAL 82 3HG2 VAL 82 20.026 12.933 1.479 608 HG22 VAL 82 1HG2 VAL 82 20.037 12.302 -0.168 609 HG23 VAL 82 2HG2 VAL 82 20.314 14.020 0.120 610 H ARG 83 H ARG 83 15.931 15.312 -0.717 611 HA ARG 83 HA ARG 83 14.032 15.117 1.529 612 HB2 ARG 83 2HB ARG 83 14.219 17.418 0.715 613 HB3 ARG 83 3HB ARG 83 13.859 16.881 -0.921 614 HG2 ARG 83 2HG ARG 83 11.679 15.951 0.220 615 HG3 ARG 83 3HG ARG 83 12.053 17.193 1.417 616 HD2 ARG 83 2HD ARG 83 12.270 18.786 -0.569 617 HD3 ARG 83 3HD ARG 83 11.480 17.524 -1.513 618 HE ARG 83 HE ARG 83 9.496 18.071 -0.513 619 HH11 ARG 83 1HH1 ARG 83 12.114 19.447 1.324 620 HH12 ARG 83 2HH1 ARG 83 11.075 20.364 2.363 621 HH21 ARG 83 1HH2 ARG 83 8.118 19.274 0.850 622 HH22 ARG 83 2HH2 ARG 83 8.802 20.265 2.093 623 H VAL 84 H VAL 84 12.240 13.874 1.270 624 HA VAL 84 HA VAL 84 11.753 12.679 -1.371 625 HB VAL 84 HB VAL 84 11.431 10.483 -0.423 626 HG11 VAL 84 1HG1 VAL 84 14.045 11.747 0.386 627 HG12 VAL 84 2HG1 VAL 84 13.754 10.006 0.353 628 HG13 VAL 84 3HG1 VAL 84 13.670 10.944 -1.138 629 HG21 VAL 84 3HG2 VAL 84 10.743 10.400 1.704 630 HG22 VAL 84 1HG2 VAL 84 12.452 10.506 2.129 631 HG23 VAL 84 2HG2 VAL 84 11.461 11.965 2.088 632 H SER 85 H SER 85 9.647 12.443 -1.914 633 HA SER 85 HA SER 85 7.568 12.553 0.103 634 HB2 SER 85 2HB SER 85 7.725 14.670 -2.057 635 HB3 SER 85 3HB SER 85 6.426 14.483 -0.879 636 HG SER 85 HG SER 85 8.867 15.665 -0.605 637 H LYS 86 H LYS 86 5.451 12.064 -0.752 638 HA LYS 86 HA LYS 86 5.629 10.349 -3.112 639 HB2 LYS 86 2HB LYS 86 3.364 10.618 -1.128 640 HB3 LYS 86 3HB LYS 86 3.546 9.367 -2.352 641 HG2 LYS 86 2HG LYS 86 4.652 8.114 -0.908 642 HG3 LYS 86 3HG LYS 86 5.890 9.364 -0.762 643 HD2 LYS 86 2HD LYS 86 4.971 8.817 1.422 644 HD3 LYS 86 3HD LYS 86 4.551 10.472 0.973 645 HE2 LYS 86 2HE LYS 86 2.366 10.028 1.041 646 HE3 LYS 86 3HE LYS 86 2.560 8.564 0.078 647 HZ1 LYS 86 3HZ LYS 86 3.528 8.292 2.769 648 HZ2 LYS 86 1HZ LYS 86 2.490 7.289 1.887 649 HZ3 LYS 86 2HZ LYS 86 1.874 8.641 2.695 650 H MET 87 H MET 87 4.651 10.789 -4.996 651 HA MET 87 HA MET 87 3.244 13.331 -5.236 652 HB2 MET 87 2HB MET 87 4.966 11.789 -6.922 653 HB3 MET 87 3HB MET 87 3.430 12.018 -7.746 654 HG2 MET 87 2HG MET 87 4.792 14.346 -6.473 655 HG3 MET 87 3HG MET 87 5.341 13.748 -8.037 656 HE1 MET 87 3HE MET 87 3.309 15.159 -10.514 657 HE2 MET 87 1HE MET 87 4.477 13.938 -10.007 658 HE3 MET 87 2HE MET 87 2.775 13.511 -10.181 659 H GLU 88 H GLU 88 2.694 9.884 -5.604 660 HA GLU 88 HA GLU 88 0.182 10.028 -6.876 661 HB2 GLU 88 2HB GLU 88 1.893 7.998 -5.886 662 HB3 GLU 88 3HB GLU 88 0.316 7.743 -5.151 663 HG2 GLU 88 2HG GLU 88 0.143 8.318 -7.992 664 HG3 GLU 88 3HG GLU 88 1.114 6.889 -7.640 665 H THR 89 H THR 89 1.170 10.439 -3.580 666 HA THR 89 HA THR 89 -1.611 10.372 -2.654 667 HB THR 89 HB THR 89 0.854 10.693 -0.942 668 HG1 THR 89 HG1 THR 89 0.653 8.665 -2.277 669 HG21 THR 89 3HG2 THR 89 -0.514 10.551 0.847 670 HG22 THR 89 1HG2 THR 89 -1.566 9.364 0.077 671 HG23 THR 89 2HG2 THR 89 -1.753 11.079 -0.291 672 H THR 90 H THR 90 -2.665 12.238 -2.768 673 HA THR 90 HA THR 90 -1.498 14.756 -3.123 674 HB THR 90 HB THR 90 -3.718 15.693 -2.608 675 HG1 THR 90 HG1 THR 90 -5.187 14.548 -1.563 676 HG21 THR 90 3HG2 THR 90 -3.062 14.304 -4.774 677 HG22 THR 90 1HG2 THR 90 -4.686 14.950 -4.542 678 HG23 THR 90 2HG2 THR 90 -4.352 13.255 -4.187 679 H ASN 91 H ASN 91 -0.873 16.354 -1.763 680 HA ASN 91 HA ASN 91 -1.302 15.976 1.118 681 HB2 ASN 91 2HB ASN 91 1.113 15.445 -0.051 682 HB3 ASN 91 3HB ASN 91 1.306 17.137 0.399 683 HD21 ASN 91 1HD2 ASN 91 0.005 14.135 1.779 684 HD22 ASN 91 2HD2 ASN 91 0.691 14.362 3.349 Start of MODEL 8 1 H GLY 1 H GLY 1 8.293 -3.185 2.476 2 HA2 GLY 1 2HA GLY 1 6.263 -2.053 2.409 3 HA3 GLY 1 3HA GLY 1 7.204 -0.899 3.344 4 H GLU 2 H GLU 2 5.326 0.341 2.158 5 HA GLU 2 HA GLU 2 6.496 1.463 -0.302 6 HB2 GLU 2 2HB GLU 2 3.550 1.181 0.320 7 HB3 GLU 2 3HB GLU 2 4.238 1.890 -1.135 8 HG2 GLU 2 2HG GLU 2 5.280 -0.316 -1.633 9 HG3 GLU 2 3HG GLU 2 4.392 -0.984 -0.265 10 H LYS 3 H LYS 3 5.010 3.644 -0.700 11 HA LYS 3 HA LYS 3 4.822 5.832 -0.101 12 HB2 LYS 3 2HB LYS 3 3.952 4.406 2.393 13 HB3 LYS 3 3HB LYS 3 4.050 6.162 2.362 14 HG2 LYS 3 2HG LYS 3 1.877 5.905 1.767 15 HG3 LYS 3 3HG LYS 3 2.615 5.841 0.164 16 HD2 LYS 3 2HD LYS 3 2.513 3.454 0.135 17 HD3 LYS 3 3HD LYS 3 2.029 3.399 1.832 18 HE2 LYS 3 2HE LYS 3 0.153 3.029 0.250 19 HE3 LYS 3 3HE LYS 3 -0.088 4.411 1.318 20 HZ1 LYS 3 3HZ LYS 3 -0.565 4.623 -1.208 21 HZ2 LYS 3 1HZ LYS 3 1.109 4.832 -1.333 22 HZ3 LYS 3 2HZ LYS 3 0.192 5.895 -0.390 23 H THR 4 H THR 4 7.423 4.527 0.143 24 HA THR 4 HA THR 4 8.788 6.623 1.541 25 HB THR 4 HB THR 4 10.124 4.692 2.837 26 HG1 THR 4 HG1 THR 4 8.278 3.383 3.769 27 HG21 THR 4 3HG2 THR 4 7.727 5.429 4.336 28 HG22 THR 4 1HG2 THR 4 8.499 6.796 3.533 29 HG23 THR 4 2HG2 THR 4 9.421 5.798 4.659 30 H VAL 5 H VAL 5 11.026 6.689 1.085 31 HA VAL 5 HA VAL 5 11.749 5.189 -1.311 32 HB VAL 5 HB VAL 5 12.111 7.545 -1.492 33 HG11 VAL 5 1HG1 VAL 5 13.289 7.230 1.210 34 HG12 VAL 5 2HG1 VAL 5 13.990 8.459 0.155 35 HG13 VAL 5 3HG1 VAL 5 12.273 8.515 0.559 36 HG21 VAL 5 3HG2 VAL 5 13.925 5.800 -2.222 37 HG22 VAL 5 1HG2 VAL 5 14.250 7.530 -2.335 38 HG23 VAL 5 2HG2 VAL 5 14.894 6.597 -0.983 39 H LYS 6 H LYS 6 13.482 3.828 -1.469 40 HA LYS 6 HA LYS 6 14.752 3.065 1.075 41 HB2 LYS 6 2HB LYS 6 13.610 1.537 -1.117 42 HB3 LYS 6 3HB LYS 6 15.263 1.043 -0.774 43 HG2 LYS 6 2HG LYS 6 14.527 0.899 1.667 44 HG3 LYS 6 3HG LYS 6 12.878 0.987 1.042 45 HD2 LYS 6 2HD LYS 6 14.279 -0.929 -0.505 46 HD3 LYS 6 3HD LYS 6 14.616 -1.269 1.195 47 HE2 LYS 6 2HE LYS 6 11.808 -0.664 0.480 48 HE3 LYS 6 3HE LYS 6 12.458 -2.202 -0.087 49 HZ1 LYS 6 3HZ LYS 6 13.083 -2.723 2.199 50 HZ2 LYS 6 1HZ LYS 6 11.418 -2.452 2.066 51 HZ3 LYS 6 2HZ LYS 6 12.419 -1.261 2.730 52 H LEU 7 H LEU 7 16.657 4.081 1.228 53 HA LEU 7 HA LEU 7 18.270 4.655 -1.090 54 HB2 LEU 7 2HB LEU 7 18.381 5.252 1.811 55 HB3 LEU 7 3HB LEU 7 19.907 5.258 0.928 56 HG LEU 7 HG LEU 7 18.947 6.951 -0.615 57 HD11 LEU 7 1HD1 LEU 7 16.751 7.247 -0.654 58 HD12 LEU 7 2HD1 LEU 7 16.866 7.991 0.940 59 HD13 LEU 7 3HD1 LEU 7 16.543 6.263 0.795 60 HD21 LEU 7 3HD2 LEU 7 18.564 8.294 1.939 61 HD22 LEU 7 1HD2 LEU 7 19.789 8.549 0.695 62 HD23 LEU 7 2HD2 LEU 7 20.009 7.281 1.902 63 H TYR 8 H TYR 8 19.895 3.480 -1.884 64 HA TYR 8 HA TYR 8 20.821 1.168 -0.309 65 HB2 TYR 8 2HB TYR 8 19.867 1.386 -3.038 66 HB3 TYR 8 3HB TYR 8 21.484 0.694 -2.983 67 HD1 TYR 8 HD1 TYR 8 21.816 -1.235 -1.230 68 HD2 TYR 8 HD2 TYR 8 18.040 -0.010 -2.761 69 HE1 TYR 8 HE1 TYR 8 20.865 -3.418 -0.615 70 HE2 TYR 8 HE2 TYR 8 17.079 -2.189 -2.150 71 HH TYR 8 HH TYR 8 17.541 -4.024 -0.555 72 H GLU 9 H GLU 9 22.938 0.981 0.109 73 HA GLU 9 HA GLU 9 24.692 3.143 -0.622 74 HB2 GLU 9 2HB GLU 9 26.248 2.203 0.898 75 HB3 GLU 9 3HB GLU 9 24.664 1.976 1.626 76 HG2 GLU 9 2HG GLU 9 24.861 -0.348 0.337 77 HG3 GLU 9 3HG GLU 9 26.575 -0.015 0.574 78 H ASP 10 H ASP 10 24.210 -0.192 -1.562 79 HA ASP 10 HA ASP 10 26.560 -0.085 -3.311 80 HB2 ASP 10 2HB ASP 10 25.371 -2.148 -1.776 81 HB3 ASP 10 3HB ASP 10 25.163 -2.586 -3.469 82 H THR 11 H THR 11 26.424 -0.346 -5.524 83 HA THR 11 HA THR 11 24.159 0.714 -6.808 84 HB THR 11 HB THR 11 25.269 0.323 -8.874 85 HG1 THR 11 HG1 THR 11 25.992 -1.693 -8.983 86 HG21 THR 11 3HG2 THR 11 27.057 1.648 -8.504 87 HG22 THR 11 1HG2 THR 11 27.743 0.559 -7.300 88 HG23 THR 11 2HG2 THR 11 26.461 1.681 -6.845 89 H HIS 12 H HIS 12 22.910 -0.358 -8.543 90 HA HIS 12 HA HIS 12 21.458 -1.950 -9.273 91 HB2 HIS 12 2HB HIS 12 23.795 -3.185 -9.385 92 HB3 HIS 12 3HB HIS 12 23.098 -4.147 -8.085 93 HD1 HIS 12 HD1 HIS 12 23.621 -5.782 -10.418 94 HD2 HIS 12 HD2 HIS 12 20.154 -3.506 -10.173 95 HE1 HIS 12 HE1 HIS 12 22.003 -6.847 -12.021 96 H PHE 13 H PHE 13 21.407 -0.881 -6.475 97 HA PHE 13 HA PHE 13 20.261 -1.166 -4.527 98 HB2 PHE 13 2HB PHE 13 18.517 -3.041 -6.129 99 HB3 PHE 13 3HB PHE 13 18.056 -2.083 -4.725 100 HD1 PHE 13 HD1 PHE 13 18.447 0.526 -5.039 101 HD2 PHE 13 HD2 PHE 13 17.901 -2.275 -8.197 102 HE1 PHE 13 HE1 PHE 13 17.711 2.347 -6.522 103 HE2 PHE 13 HE2 PHE 13 17.166 -0.459 -9.685 104 HZ PHE 13 HZ PHE 13 17.071 1.856 -8.849 105 H LYS 14 H LYS 14 22.466 -2.637 -4.420 106 HA LYS 14 HA LYS 14 21.608 -5.256 -3.377 107 HB2 LYS 14 2HB LYS 14 23.570 -4.676 -5.277 108 HB3 LYS 14 3HB LYS 14 24.469 -5.005 -3.801 109 HG2 LYS 14 2HG LYS 14 24.334 -7.111 -4.639 110 HG3 LYS 14 3HG LYS 14 22.844 -7.084 -3.693 111 HD2 LYS 14 2HD LYS 14 22.357 -6.007 -6.307 112 HD3 LYS 14 3HD LYS 14 23.135 -7.586 -6.447 113 HE2 LYS 14 2HE LYS 14 21.004 -7.450 -4.437 114 HE3 LYS 14 3HE LYS 14 20.462 -7.178 -6.092 115 HZ1 LYS 14 3HZ LYS 14 21.893 -9.548 -5.032 116 HZ2 LYS 14 1HZ LYS 14 21.666 -9.266 -6.685 117 HZ3 LYS 14 2HZ LYS 14 20.329 -9.489 -5.674 118 H GLY 15 H GLY 15 22.835 -6.070 -1.513 119 HA2 GLY 15 2HA GLY 15 24.087 -5.783 0.450 120 HA3 GLY 15 3HA GLY 15 24.232 -4.071 0.081 121 H TYR 16 H TYR 16 23.237 -2.822 1.499 122 HA TYR 16 HA TYR 16 20.782 -3.835 2.777 123 HB2 TYR 16 2HB TYR 16 22.980 -3.362 4.148 124 HB3 TYR 16 3HB TYR 16 22.447 -1.689 4.034 125 HD1 TYR 16 HD1 TYR 16 21.369 -5.064 5.157 126 HD2 TYR 16 HD2 TYR 16 20.807 -0.860 5.490 127 HE1 TYR 16 HE1 TYR 16 19.860 -5.423 7.065 128 HE2 TYR 16 HE2 TYR 16 19.297 -1.207 7.400 129 HH TYR 16 HH TYR 16 19.079 -4.081 9.073 130 H SER 17 H SER 17 19.112 -2.322 3.228 131 HA SER 17 HA SER 17 19.282 0.215 1.752 132 HB2 SER 17 2HB SER 17 16.623 -0.592 1.497 133 HB3 SER 17 3HB SER 17 17.845 -0.591 0.225 134 HG SER 17 HG SER 17 18.400 -2.757 1.235 135 H VAL 18 H VAL 18 18.186 1.932 2.640 136 HA VAL 18 HA VAL 18 16.912 1.436 5.253 137 HB VAL 18 HB VAL 18 19.111 2.629 5.375 138 HG11 VAL 18 1HG1 VAL 18 17.609 4.866 4.021 139 HG12 VAL 18 2HG1 VAL 18 19.259 4.931 4.643 140 HG13 VAL 18 3HG1 VAL 18 18.873 3.892 3.271 141 HG21 VAL 18 3HG2 VAL 18 16.800 4.348 6.257 142 HG22 VAL 18 1HG2 VAL 18 17.269 2.852 7.064 143 HG23 VAL 18 2HG2 VAL 18 18.391 4.211 7.006 144 H GLU 19 H GLU 19 14.947 2.309 5.629 145 HA GLU 19 HA GLU 19 13.760 3.895 3.451 146 HB2 GLU 19 2HB GLU 19 11.591 3.049 4.191 147 HB3 GLU 19 3HB GLU 19 12.684 1.723 3.818 148 HG2 GLU 19 2HG GLU 19 12.451 2.699 6.626 149 HG3 GLU 19 3HG GLU 19 11.208 1.644 5.954 150 H LEU 20 H LEU 20 12.593 5.745 3.909 151 HA LEU 20 HA LEU 20 12.359 6.624 6.675 152 HB2 LEU 20 2HB LEU 20 13.282 8.921 5.616 153 HB3 LEU 20 3HB LEU 20 14.279 7.770 6.503 154 HG LEU 20 HG LEU 20 14.062 7.407 3.565 155 HD11 LEU 20 1HD1 LEU 20 15.550 9.666 4.882 156 HD12 LEU 20 2HD1 LEU 20 14.363 9.759 3.582 157 HD13 LEU 20 3HD1 LEU 20 15.947 9.045 3.280 158 HD21 LEU 20 3HD2 LEU 20 16.038 6.317 3.803 159 HD22 LEU 20 1HD2 LEU 20 15.444 6.129 5.453 160 HD23 LEU 20 2HD2 LEU 20 16.611 7.397 5.075 161 HA PRO 21 HA PRO 21 8.533 8.120 5.052 162 HB2 PRO 21 2HB PRO 21 7.808 9.651 7.174 163 HB3 PRO 21 3HB PRO 21 7.721 7.885 7.189 164 HG2 PRO 21 2HG PRO 21 9.823 9.689 8.326 165 HG3 PRO 21 3HG PRO 21 9.087 8.240 9.037 166 HD2 PRO 21 2HD PRO 21 11.523 8.207 7.854 167 HD3 PRO 21 3HD PRO 21 10.427 6.811 7.822 168 H VAL 22 H VAL 22 7.395 10.247 4.744 169 HA VAL 22 HA VAL 22 8.818 12.013 3.233 170 HB VAL 22 HB VAL 22 6.371 12.012 3.327 171 HG11 VAL 22 1HG1 VAL 22 5.889 13.764 5.503 172 HG12 VAL 22 2HG1 VAL 22 5.294 12.120 5.264 173 HG13 VAL 22 3HG1 VAL 22 6.818 12.393 6.108 174 HG21 VAL 22 3HG2 VAL 22 7.689 13.989 2.495 175 HG22 VAL 22 1HG2 VAL 22 6.039 14.343 3.005 176 HG23 VAL 22 2HG2 VAL 22 7.394 14.749 4.058 177 H GLY 23 H GLY 23 9.794 14.027 3.536 178 HA2 GLY 23 2HA GLY 23 10.130 15.840 5.293 179 HA3 GLY 23 3HA GLY 23 10.689 14.516 6.305 180 H ASP 24 H ASP 24 12.369 16.574 5.974 181 HA ASP 24 HA ASP 24 14.280 15.722 3.907 182 HB2 ASP 24 2HB ASP 24 13.542 18.092 3.831 183 HB3 ASP 24 3HB ASP 24 14.204 18.325 5.446 184 H TYR 25 H TYR 25 16.444 15.357 4.428 185 HA TYR 25 HA TYR 25 17.072 15.186 7.297 186 HB2 TYR 25 2HB TYR 25 17.876 13.103 5.260 187 HB3 TYR 25 3HB TYR 25 18.116 13.038 7.003 188 HD1 TYR 25 HD1 TYR 25 15.362 13.321 4.494 189 HD2 TYR 25 HD2 TYR 25 16.607 11.842 8.284 190 HE1 TYR 25 HE1 TYR 25 13.210 12.157 4.739 191 HE2 TYR 25 HE2 TYR 25 14.458 10.673 8.540 192 HH TYR 25 HH TYR 25 12.370 10.457 7.717 193 H ASN 26 H ASN 26 19.179 15.626 7.876 194 HA ASN 26 HA ASN 26 20.796 16.896 5.786 195 HB2 ASN 26 2HB ASN 26 20.990 17.094 8.801 196 HB3 ASN 26 3HB ASN 26 21.995 17.978 7.655 197 HD21 ASN 26 1HD2 ASN 26 21.144 19.703 6.543 198 HD22 ASN 26 2HD2 ASN 26 19.624 20.419 6.946 199 H LEU 27 H LEU 27 23.269 16.787 6.408 200 HA LEU 27 HA LEU 27 24.192 14.254 5.829 201 HB2 LEU 27 2HB LEU 27 25.684 16.005 5.468 202 HB3 LEU 27 3HB LEU 27 25.480 16.639 7.100 203 HG LEU 27 HG LEU 27 26.692 13.956 6.913 204 HD11 LEU 27 1HD1 LEU 27 27.877 14.798 5.080 205 HD12 LEU 27 2HD1 LEU 27 28.937 15.082 6.460 206 HD13 LEU 27 3HD1 LEU 27 27.997 16.411 5.784 207 HD21 LEU 27 3HD2 LEU 27 26.976 16.443 8.542 208 HD22 LEU 27 1HD2 LEU 27 28.275 15.250 8.529 209 HD23 LEU 27 2HD2 LEU 27 26.658 14.787 9.062 210 H SER 28 H SER 28 23.883 15.799 9.007 211 HA SER 28 HA SER 28 24.963 13.622 10.471 212 HB2 SER 28 2HB SER 28 24.582 14.899 12.335 213 HB3 SER 28 3HB SER 28 24.450 16.170 11.119 214 HG SER 28 HG SER 28 22.696 16.005 12.723 215 H SER 29 H SER 29 21.760 14.429 9.332 216 HA SER 29 HA SER 29 20.363 12.541 10.947 217 HB2 SER 29 2HB SER 29 19.320 14.551 9.852 218 HB3 SER 29 3HB SER 29 19.468 13.715 8.306 219 HG SER 29 HG SER 29 17.534 13.491 10.088 220 H LEU 30 H LEU 30 22.012 12.408 7.884 221 HA LEU 30 HA LEU 30 20.873 10.095 6.805 222 HB2 LEU 30 2HB LEU 30 23.465 11.514 6.497 223 HB3 LEU 30 3HB LEU 30 23.337 9.877 5.855 224 HG LEU 30 HG LEU 30 21.311 11.945 5.099 225 HD11 LEU 30 1HD1 LEU 30 22.660 13.062 3.704 226 HD12 LEU 30 2HD1 LEU 30 23.553 11.613 3.246 227 HD13 LEU 30 3HD1 LEU 30 23.959 12.463 4.737 228 HD21 LEU 30 3HD2 LEU 30 22.022 10.310 2.956 229 HD22 LEU 30 1HD2 LEU 30 20.565 10.200 3.944 230 HD23 LEU 30 2HD2 LEU 30 21.986 9.241 4.359 231 H ILE 31 H ILE 31 23.692 10.471 8.935 232 HA ILE 31 HA ILE 31 24.166 7.655 9.123 233 HB ILE 31 HB ILE 31 25.192 9.937 10.813 234 HG12 ILE 31 2HG1 ILE 31 27.340 9.164 9.495 235 HG13 ILE 31 3HG1 ILE 31 26.159 8.533 8.353 236 HG21 ILE 31 1HG2 ILE 31 26.984 7.893 11.087 237 HG22 ILE 31 2HG2 ILE 31 25.746 8.327 12.264 238 HG23 ILE 31 3HG2 ILE 31 25.440 7.040 11.097 239 HD11 ILE 31 3HD1 ILE 31 25.319 10.666 7.880 240 HD12 ILE 31 1HD1 ILE 31 26.100 11.379 9.291 241 HD13 ILE 31 2HD1 ILE 31 27.072 10.854 7.916 242 H SER 32 H SER 32 22.231 9.961 10.851 243 HA SER 32 HA SER 32 21.914 8.653 13.296 244 HB2 SER 32 2HB SER 32 20.143 10.513 11.727 245 HB3 SER 32 3HB SER 32 19.611 9.834 13.265 246 HG SER 32 HG SER 32 21.672 10.694 14.103 247 H ARG 33 H ARG 33 20.387 8.112 10.186 248 HA ARG 33 HA ARG 33 18.602 6.099 11.314 249 HB2 ARG 33 2HB ARG 33 18.522 7.828 9.048 250 HB3 ARG 33 3HB ARG 33 18.459 6.168 8.471 251 HG2 ARG 33 2HG ARG 33 16.277 6.254 8.869 252 HG3 ARG 33 3HG ARG 33 16.688 6.179 10.583 253 HD2 ARG 33 2HD ARG 33 16.976 8.771 10.302 254 HD3 ARG 33 3HD ARG 33 15.924 8.525 8.909 255 HE ARG 33 HE ARG 33 14.178 8.279 10.350 256 HH11 ARG 33 1HH1 ARG 33 17.135 7.660 12.080 257 HH12 ARG 33 2HH1 ARG 33 16.353 7.488 13.616 258 HH21 ARG 33 1HH2 ARG 33 13.137 8.055 12.367 259 HH22 ARG 33 2HH2 ARG 33 14.079 7.712 13.779 260 H GLY 34 H GLY 34 21.665 5.943 10.904 261 HA2 GLY 34 2HA GLY 34 23.114 4.178 10.596 262 HA3 GLY 34 3HA GLY 34 21.716 3.155 10.296 263 H ALA 35 H ALA 35 22.822 6.045 8.558 264 HA ALA 35 HA ALA 35 23.252 4.353 6.185 265 HB1 ALA 35 1HB ALA 35 21.930 5.619 4.859 266 HB2 ALA 35 2HB ALA 35 21.124 5.972 6.388 267 HB3 ALA 35 3HB ALA 35 22.298 7.110 5.728 268 H LEU 36 H LEU 36 24.375 5.827 4.416 269 HA LEU 36 HA LEU 36 26.621 7.188 5.752 270 HB2 LEU 36 2HB LEU 36 27.699 6.509 3.401 271 HB3 LEU 36 3HB LEU 36 27.766 5.482 4.832 272 HG LEU 36 HG LEU 36 25.739 4.288 3.949 273 HD11 LEU 36 1HD1 LEU 36 26.114 6.297 1.828 274 HD12 LEU 36 2HD1 LEU 36 24.654 5.470 2.368 275 HD13 LEU 36 3HD1 LEU 36 25.779 4.653 1.284 276 HD21 LEU 36 3HD2 LEU 36 27.306 2.832 3.359 277 HD22 LEU 36 1HD2 LEU 36 28.476 4.130 3.125 278 HD23 LEU 36 2HD2 LEU 36 27.427 3.639 1.795 279 H ASN 37 H ASN 37 27.084 9.218 5.154 280 HA ASN 37 HA ASN 37 25.301 10.673 3.513 281 HB2 ASN 37 2HB ASN 37 26.484 11.749 5.347 282 HB3 ASN 37 3HB ASN 37 28.033 11.419 4.577 283 HD21 ASN 37 1HD2 ASN 37 28.636 12.597 2.754 284 HD22 ASN 37 2HD2 ASN 37 27.870 14.089 2.338 285 H ASP 38 H ASP 38 28.817 10.550 3.021 286 HA ASP 38 HA ASP 38 28.375 10.696 0.139 287 HB2 ASP 38 2HB ASP 38 30.901 11.033 0.112 288 HB3 ASP 38 3HB ASP 38 29.951 12.297 0.887 289 H ASP 39 H ASP 39 27.667 8.536 -0.174 290 HA ASP 39 HA ASP 39 29.701 6.737 -0.910 291 HB2 ASP 39 2HB ASP 39 29.845 6.450 1.564 292 HB3 ASP 39 3HB ASP 39 28.171 5.901 1.561 293 H LEU 40 H LEU 40 26.343 7.210 0.007 294 HA LEU 40 HA LEU 40 25.128 5.007 -1.097 295 HB2 LEU 40 2HB LEU 40 24.351 7.668 -0.336 296 HB3 LEU 40 3HB LEU 40 23.500 7.183 -1.801 297 HG LEU 40 HG LEU 40 23.414 5.080 0.171 298 HD11 LEU 40 1HD1 LEU 40 22.557 6.061 2.020 299 HD12 LEU 40 2HD1 LEU 40 21.845 7.398 1.118 300 HD13 LEU 40 3HD1 LEU 40 23.570 7.402 1.484 301 HD21 LEU 40 3HD2 LEU 40 21.309 4.857 -0.614 302 HD22 LEU 40 1HD2 LEU 40 21.914 5.891 -1.908 303 HD23 LEU 40 2HD2 LEU 40 20.994 6.592 -0.577 304 H SER 41 H SER 41 24.717 4.258 -3.092 305 HA SER 41 HA SER 41 25.228 6.016 -5.390 306 HB2 SER 41 2HB SER 41 27.163 4.389 -4.793 307 HB3 SER 41 3HB SER 41 26.101 3.138 -5.439 308 HG SER 41 HG SER 41 27.158 5.397 -6.777 309 H SER 42 H SER 42 23.000 4.328 -3.828 310 HA SER 42 HA SER 42 21.437 3.872 -6.240 311 HB2 SER 42 2HB SER 42 22.446 1.717 -4.484 312 HB3 SER 42 3HB SER 42 20.734 1.620 -4.896 313 HG SER 42 HG SER 42 21.228 1.362 -6.979 314 H ALA 43 H ALA 43 19.140 3.531 -5.772 315 HA ALA 43 HA ALA 43 18.006 3.758 -3.224 316 HB1 ALA 43 1HB ALA 43 17.254 6.311 -4.127 317 HB2 ALA 43 2HB ALA 43 18.224 5.906 -2.711 318 HB3 ALA 43 3HB ALA 43 19.011 6.233 -4.254 319 H ARG 44 H ARG 44 16.232 2.626 -3.665 320 HA ARG 44 HA ARG 44 14.806 3.113 -6.180 321 HB2 ARG 44 2HB ARG 44 15.437 0.788 -5.685 322 HB3 ARG 44 3HB ARG 44 14.522 0.859 -4.185 323 HG2 ARG 44 2HG ARG 44 12.873 1.619 -6.419 324 HG3 ARG 44 3HG ARG 44 13.613 0.039 -6.685 325 HD2 ARG 44 2HD ARG 44 12.855 -0.358 -4.194 326 HD3 ARG 44 3HD ARG 44 11.699 0.917 -4.578 327 HE ARG 44 HE ARG 44 10.562 -0.559 -5.908 328 HH11 ARG 44 1HH1 ARG 44 13.713 -1.854 -5.193 329 HH12 ARG 44 2HH1 ARG 44 13.376 -3.406 -5.887 330 HH21 ARG 44 1HH2 ARG 44 10.106 -2.598 -6.824 331 HH22 ARG 44 2HH2 ARG 44 11.325 -3.828 -6.815 332 H VAL 45 H VAL 45 12.697 3.767 -6.251 333 HA VAL 45 HA VAL 45 11.369 4.325 -3.684 334 HB VAL 45 HB VAL 45 10.576 6.448 -4.465 335 HG11 VAL 45 1HG1 VAL 45 12.468 7.318 -3.700 336 HG12 VAL 45 2HG1 VAL 45 13.344 5.849 -4.133 337 HG13 VAL 45 3HG1 VAL 45 13.178 7.156 -5.306 338 HG21 VAL 45 3HG2 VAL 45 10.149 6.352 -6.710 339 HG22 VAL 45 1HG2 VAL 45 11.673 7.239 -6.734 340 HG23 VAL 45 2HG2 VAL 45 11.655 5.509 -7.073 341 HA PRO 46 HA PRO 46 7.897 2.267 -5.437 342 HB2 PRO 46 2HB PRO 46 5.923 3.366 -3.932 343 HB3 PRO 46 3HB PRO 46 7.061 2.171 -3.299 344 HG2 PRO 46 2HG PRO 46 7.090 5.151 -3.014 345 HG3 PRO 46 3HG PRO 46 7.417 3.906 -1.793 346 HD2 PRO 46 2HD PRO 46 9.392 5.255 -3.063 347 HD3 PRO 46 3HD PRO 46 9.575 3.572 -2.530 348 H SER 47 H SER 47 5.569 2.854 -6.187 349 HA SER 47 HA SER 47 5.842 4.919 -8.172 350 HB2 SER 47 2HB SER 47 3.552 3.053 -7.514 351 HB3 SER 47 3HB SER 47 3.564 4.168 -8.880 352 HG SER 47 HG SER 47 4.418 2.472 -9.826 353 H GLY 48 H GLY 48 5.486 6.986 -7.722 354 HA2 GLY 48 2HA GLY 48 3.928 8.740 -7.258 355 HA3 GLY 48 3HA GLY 48 3.123 7.677 -6.115 356 H LEU 49 H LEU 49 6.593 8.274 -6.339 357 HA LEU 49 HA LEU 49 6.467 9.760 -3.808 358 HB2 LEU 49 2HB LEU 49 7.073 7.296 -3.552 359 HB3 LEU 49 3HB LEU 49 8.579 7.699 -4.373 360 HG LEU 49 HG LEU 49 7.724 9.102 -1.857 361 HD11 LEU 49 1HD1 LEU 49 7.896 6.512 -1.715 362 HD12 LEU 49 2HD1 LEU 49 8.706 7.511 -0.509 363 HD13 LEU 49 3HD1 LEU 49 9.632 6.804 -1.833 364 HD21 LEU 49 3HD2 LEU 49 9.937 9.272 -3.670 365 HD22 LEU 49 1HD2 LEU 49 10.506 8.785 -2.073 366 HD23 LEU 49 2HD2 LEU 49 9.569 10.267 -2.261 367 H ARG 50 H ARG 50 7.738 11.517 -3.720 368 HA ARG 50 HA ARG 50 9.682 11.898 -5.903 369 HB2 ARG 50 2HB ARG 50 7.655 13.366 -6.005 370 HB3 ARG 50 3HB ARG 50 8.138 14.059 -4.463 371 HG2 ARG 50 2HG ARG 50 9.932 15.175 -5.370 372 HG3 ARG 50 3HG ARG 50 10.061 14.071 -6.740 373 HD2 ARG 50 2HD ARG 50 8.139 15.016 -7.781 374 HD3 ARG 50 3HD ARG 50 7.742 15.947 -6.338 375 HE ARG 50 HE ARG 50 10.283 16.723 -7.172 376 HH11 ARG 50 1HH1 ARG 50 6.998 16.844 -8.319 377 HH12 ARG 50 2HH1 ARG 50 7.233 18.298 -9.232 378 HH21 ARG 50 1HH2 ARG 50 10.605 18.637 -8.371 379 HH22 ARG 50 2HH2 ARG 50 9.285 19.316 -9.262 380 H LEU 51 H LEU 51 11.667 12.811 -5.421 381 HA LEU 51 HA LEU 51 12.258 13.558 -2.671 382 HB2 LEU 51 2HB LEU 51 14.340 12.057 -2.816 383 HB3 LEU 51 3HB LEU 51 12.790 11.323 -2.409 384 HG LEU 51 HG LEU 51 13.590 11.312 -5.266 385 HD11 LEU 51 1HD1 LEU 51 14.848 9.152 -4.782 386 HD12 LEU 51 2HD1 LEU 51 14.960 9.724 -3.118 387 HD13 LEU 51 3HD1 LEU 51 15.680 10.666 -4.424 388 HD21 LEU 51 3HD2 LEU 51 11.458 10.376 -4.535 389 HD22 LEU 51 1HD2 LEU 51 12.305 9.286 -3.438 390 HD23 LEU 51 2HD2 LEU 51 12.515 9.120 -5.181 391 H GLU 52 H GLU 52 14.295 14.654 -2.434 392 HA GLU 52 HA GLU 52 15.521 15.532 -4.956 393 HB2 GLU 52 2HB GLU 52 14.697 17.347 -2.681 394 HB3 GLU 52 3HB GLU 52 15.613 17.845 -4.097 395 HG2 GLU 52 2HG GLU 52 13.689 17.148 -5.509 396 HG3 GLU 52 3HG GLU 52 12.778 16.842 -4.031 397 H VAL 53 H VAL 53 17.646 15.269 -4.926 398 HA VAL 53 HA VAL 53 18.994 14.728 -2.406 399 HB VAL 53 HB VAL 53 20.139 14.658 -5.200 400 HG11 VAL 53 1HG1 VAL 53 21.904 13.325 -4.232 401 HG12 VAL 53 2HG1 VAL 53 21.777 14.852 -3.357 402 HG13 VAL 53 3HG1 VAL 53 21.120 13.374 -2.653 403 HG21 VAL 53 3HG2 VAL 53 18.386 12.803 -3.780 404 HG22 VAL 53 1HG2 VAL 53 18.787 12.899 -5.495 405 HG23 VAL 53 2HG2 VAL 53 19.865 12.056 -4.383 406 H PHE 54 H PHE 54 20.566 15.968 -1.496 407 HA PHE 54 HA PHE 54 21.291 18.468 -2.866 408 HB2 PHE 54 2HB PHE 54 20.771 18.285 0.102 409 HB3 PHE 54 3HB PHE 54 21.026 19.738 -0.860 410 HD1 PHE 54 HD1 PHE 54 19.280 19.896 -2.920 411 HD2 PHE 54 HD2 PHE 54 18.625 17.889 0.777 412 HE1 PHE 54 HE1 PHE 54 16.849 20.114 -3.235 413 HE2 PHE 54 HE2 PHE 54 16.194 18.103 0.466 414 HZ PHE 54 HZ PHE 54 15.303 19.216 -1.542 415 H GLN 55 H GLN 55 23.337 17.853 -3.425 416 HA GLN 55 HA GLN 55 25.130 16.333 -1.985 417 HB2 GLN 55 2HB GLN 55 25.619 16.883 -4.256 418 HB3 GLN 55 3HB GLN 55 25.606 18.606 -3.909 419 HG2 GLN 55 2HG GLN 55 27.567 16.946 -2.442 420 HG3 GLN 55 3HG GLN 55 27.846 17.205 -4.163 421 HE21 GLN 55 1HE2 GLN 55 27.234 19.669 -4.699 422 HE22 GLN 55 2HE2 GLN 55 28.098 20.802 -3.723 423 H HIS 56 H HIS 56 24.462 19.784 -1.735 424 HA HIS 56 HA HIS 56 26.363 19.965 0.501 425 HB2 HIS 56 2HB HIS 56 25.721 21.730 -1.671 426 HB3 HIS 56 3HB HIS 56 25.366 22.533 -0.144 427 HD1 HIS 56 HD1 HIS 56 27.629 21.682 1.623 428 HD2 HIS 56 HD2 HIS 56 28.163 22.635 -2.385 429 HE1 HIS 56 HE1 HIS 56 30.056 22.303 1.397 430 H ASN 57 H ASN 57 25.723 21.127 2.414 431 HA ASN 57 HA ASN 57 22.941 20.605 3.097 432 HB2 ASN 57 2HB ASN 57 23.728 21.210 5.426 433 HB3 ASN 57 3HB ASN 57 24.504 19.801 4.709 434 HD21 ASN 57 1HD2 ASN 57 26.458 19.803 5.608 435 HD22 ASN 57 2HD2 ASN 57 27.578 21.116 5.551 436 H ASN 58 H ASN 58 21.773 22.230 4.441 437 HA ASN 58 HA ASN 58 20.828 24.282 4.704 438 HB2 ASN 58 2HB ASN 58 23.478 24.681 5.193 439 HB3 ASN 58 3HB ASN 58 23.205 25.822 3.880 440 HD21 ASN 58 1HD2 ASN 58 23.571 25.886 6.958 441 HD22 ASN 58 2HD2 ASN 58 22.372 27.025 7.459 442 H PHE 59 H PHE 59 21.123 22.939 2.013 443 HA PHE 59 HA PHE 59 20.634 23.333 -0.177 444 HB2 PHE 59 2HB PHE 59 19.054 25.392 1.312 445 HB3 PHE 59 3HB PHE 59 19.062 25.426 -0.448 446 HD1 PHE 59 HD2 PHE 59 18.925 22.666 2.060 447 HD2 PHE 59 HD1 PHE 59 17.096 24.585 -1.270 448 HE1 PHE 59 HE2 PHE 59 17.180 20.932 2.023 449 HE2 PHE 59 HE1 PHE 59 15.347 22.855 -1.312 450 HZ PHE 59 HZ PHE 59 15.388 21.024 0.335 451 H LYS 60 H LYS 60 23.127 24.035 0.156 452 HA LYS 60 HA LYS 60 23.463 26.772 -0.849 453 HB2 LYS 60 2HB LYS 60 24.818 26.258 1.086 454 HB3 LYS 60 3HB LYS 60 25.448 24.810 0.311 455 HG2 LYS 60 2HG LYS 60 25.876 27.354 -1.122 456 HG3 LYS 60 3HG LYS 60 26.767 27.133 0.386 457 HD2 LYS 60 2HD LYS 60 27.216 24.743 -0.725 458 HD3 LYS 60 3HD LYS 60 27.002 25.696 -2.196 459 HE2 LYS 60 2HE LYS 60 28.853 26.528 0.024 460 HE3 LYS 60 3HE LYS 60 29.370 25.487 -1.302 461 HZ1 LYS 60 3HZ LYS 60 29.554 28.126 -1.380 462 HZ2 LYS 60 1HZ LYS 60 28.010 27.948 -2.048 463 HZ3 LYS 60 2HZ LYS 60 29.336 27.182 -2.767 464 H GLY 61 H GLY 61 24.258 23.402 -1.581 465 HA2 GLY 61 2HA GLY 61 25.445 24.166 -4.131 466 HA3 GLY 61 3HA GLY 61 25.366 22.542 -3.462 467 H VAL 62 H VAL 62 24.818 22.625 -6.015 468 HA VAL 62 HA VAL 62 22.285 23.305 -6.908 469 HB VAL 62 HB VAL 62 22.570 21.625 -8.663 470 HG11 VAL 62 1HG1 VAL 62 24.809 23.429 -7.902 471 HG12 VAL 62 2HG1 VAL 62 25.040 22.330 -9.263 472 HG13 VAL 62 3HG1 VAL 62 23.720 23.500 -9.288 473 HG21 VAL 62 3HG2 VAL 62 23.419 19.719 -7.644 474 HG22 VAL 62 1HG2 VAL 62 24.803 20.323 -8.556 475 HG23 VAL 62 2HG2 VAL 62 24.699 20.607 -6.818 476 H ARG 63 H ARG 63 20.343 22.163 -7.144 477 HA ARG 63 HA ARG 63 19.989 19.979 -5.201 478 HB2 ARG 63 2HB ARG 63 17.696 20.674 -4.956 479 HB3 ARG 63 3HB ARG 63 18.732 22.078 -4.739 480 HG2 ARG 63 2HG ARG 63 18.265 22.389 -7.316 481 HG3 ARG 63 3HG ARG 63 16.829 21.441 -6.924 482 HD2 ARG 63 2HD ARG 63 15.870 23.142 -5.826 483 HD3 ARG 63 3HD ARG 63 17.373 23.581 -5.015 484 HE ARG 63 HE ARG 63 17.706 24.413 -7.598 485 HH11 ARG 63 1HH1 ARG 63 15.368 25.006 -5.088 486 HH12 ARG 63 2HH1 ARG 63 14.998 26.609 -5.631 487 HH21 ARG 63 1HH2 ARG 63 17.228 26.522 -8.323 488 HH22 ARG 63 2HH2 ARG 63 16.056 27.470 -7.471 489 H ASP 64 H ASP 64 19.076 18.084 -5.825 490 HA ASP 64 HA ASP 64 18.427 17.814 -8.687 491 HB2 ASP 64 2HB ASP 64 20.058 16.199 -6.865 492 HB3 ASP 64 3HB ASP 64 18.893 15.253 -7.788 493 H PHE 65 H PHE 65 17.044 15.684 -8.991 494 HA PHE 65 HA PHE 65 15.078 15.260 -6.920 495 HB2 PHE 65 2HB PHE 65 13.159 15.919 -8.351 496 HB3 PHE 65 3HB PHE 65 14.182 17.283 -7.912 497 HD1 PHE 65 HD1 PHE 65 15.811 18.170 -9.601 498 HD2 PHE 65 HD2 PHE 65 12.774 15.358 -10.594 499 HE1 PHE 65 HE1 PHE 65 16.052 18.755 -11.979 500 HE2 PHE 65 HE2 PHE 65 13.011 15.937 -12.974 501 HZ PHE 65 HZ PHE 65 14.653 17.637 -13.669 502 H TYR 66 H TYR 66 14.402 13.216 -6.990 503 HA TYR 66 HA TYR 66 14.587 11.766 -9.547 504 HB2 TYR 66 2HB TYR 66 15.893 11.202 -6.998 505 HB3 TYR 66 3HB TYR 66 14.962 9.833 -7.598 506 HD1 TYR 66 HD2 TYR 66 15.312 9.539 -10.302 507 HD2 TYR 66 HD1 TYR 66 18.121 11.182 -7.561 508 HE1 TYR 66 HE2 TYR 66 17.141 8.965 -11.842 509 HE2 TYR 66 HE1 TYR 66 19.958 10.614 -9.094 510 HH TYR 66 HH TYR 66 20.154 8.666 -11.089 511 H THR 67 H THR 67 13.144 9.962 -9.774 512 HA THR 67 HA THR 67 11.033 9.586 -7.842 513 HB THR 67 HB THR 67 10.244 11.593 -9.048 514 HG1 THR 67 HG1 THR 67 8.210 10.526 -9.795 515 HG21 THR 67 3HG2 THR 67 9.701 10.071 -11.519 516 HG22 THR 67 1HG2 THR 67 11.379 10.544 -11.258 517 HG23 THR 67 2HG2 THR 67 10.114 11.772 -11.303 518 H SER 68 H SER 68 13.010 7.891 -8.974 519 HA SER 68 HA SER 68 11.410 5.678 -9.710 520 HB2 SER 68 2HB SER 68 11.984 5.357 -11.994 521 HB3 SER 68 3HB SER 68 11.469 7.039 -11.869 522 HG SER 68 HG SER 68 13.471 6.647 -13.059 523 H ASP 69 H ASP 69 12.842 3.787 -10.426 524 HA ASP 69 HA ASP 69 14.760 3.274 -8.509 525 HB2 ASP 69 2HB ASP 69 14.815 2.034 -11.259 526 HB3 ASP 69 3HB ASP 69 15.314 1.309 -9.733 527 H ALA 70 H ALA 70 16.549 4.413 -8.155 528 HA ALA 70 HA ALA 70 18.170 5.239 -10.473 529 HB1 ALA 70 1HB ALA 70 18.910 7.116 -9.286 530 HB2 ALA 70 2HB ALA 70 17.187 7.015 -8.922 531 HB3 ALA 70 3HB ALA 70 18.371 6.461 -7.739 532 H ALA 71 H ALA 71 20.065 4.267 -10.735 533 HA ALA 71 HA ALA 71 21.178 2.728 -8.492 534 HB1 ALA 71 1HB ALA 71 22.509 1.584 -10.303 535 HB2 ALA 71 2HB ALA 71 20.765 1.322 -10.352 536 HB3 ALA 71 3HB ALA 71 21.518 2.461 -11.469 537 H GLU 72 H GLU 72 21.493 5.665 -9.011 538 HA GLU 72 HA GLU 72 24.213 5.890 -8.299 539 HB2 GLU 72 2HB GLU 72 23.820 5.661 -11.062 540 HB3 GLU 72 3HB GLU 72 24.079 7.376 -10.778 541 HG2 GLU 72 2HG GLU 72 25.980 5.823 -9.291 542 HG3 GLU 72 3HG GLU 72 26.009 5.372 -10.994 543 H LEU 73 H LEU 73 24.072 7.490 -6.883 544 HA LEU 73 HA LEU 73 22.009 9.375 -6.770 545 HB2 LEU 73 2HB LEU 73 24.590 8.951 -5.417 546 HB3 LEU 73 3HB LEU 73 23.976 10.603 -5.381 547 HG LEU 73 HG LEU 73 22.580 8.147 -4.320 548 HD11 LEU 73 1HD1 LEU 73 23.641 10.546 -2.842 549 HD12 LEU 73 2HD1 LEU 73 24.508 9.018 -2.995 550 HD13 LEU 73 3HD1 LEU 73 22.959 9.072 -2.154 551 HD21 LEU 73 3HD2 LEU 73 20.677 9.279 -4.408 552 HD22 LEU 73 1HD2 LEU 73 21.501 10.611 -5.220 553 HD23 LEU 73 2HD2 LEU 73 21.397 10.580 -3.459 554 H SER 74 H SER 74 22.377 11.792 -6.780 555 HA SER 74 HA SER 74 23.110 12.613 -9.375 556 HB2 SER 74 2HB SER 74 22.745 14.356 -6.927 557 HB3 SER 74 3HB SER 74 22.646 14.873 -8.610 558 HG SER 74 HG SER 74 20.938 12.959 -7.393 559 H ARG 75 H ARG 75 24.873 12.397 -6.393 560 HA ARG 75 HA ARG 75 27.281 13.309 -7.793 561 HB2 ARG 75 2HB ARG 75 25.988 14.815 -5.813 562 HB3 ARG 75 3HB ARG 75 27.366 14.077 -5.007 563 HG2 ARG 75 2HG ARG 75 28.310 16.011 -5.762 564 HG3 ARG 75 3HG ARG 75 28.661 14.939 -7.119 565 HD2 ARG 75 2HD ARG 75 26.568 15.767 -8.206 566 HD3 ARG 75 3HD ARG 75 26.427 16.949 -6.906 567 HE ARG 75 HE ARG 75 28.976 17.138 -8.092 568 HH11 ARG 75 1HH1 ARG 75 25.627 17.836 -8.738 569 HH12 ARG 75 2HH1 ARG 75 25.973 19.150 -9.813 570 HH21 ARG 75 1HH2 ARG 75 29.444 18.866 -9.506 571 HH22 ARG 75 2HH2 ARG 75 28.144 19.734 -10.249 572 H ASP 76 H ASP 76 28.649 11.662 -7.775 573 HA ASP 76 HA ASP 76 28.457 9.365 -6.244 574 HB2 ASP 76 2HB ASP 76 29.879 9.818 -8.340 575 HB3 ASP 76 3HB ASP 76 31.102 10.419 -7.224 576 H ASN 77 H ASN 77 28.559 9.161 -4.113 577 HA ASN 77 HA ASN 77 29.108 9.497 -1.927 578 HB2 ASN 77 2HB ASN 77 31.819 9.925 -3.199 579 HB3 ASN 77 3HB ASN 77 31.555 9.695 -1.474 580 HD21 ASN 77 1HD2 ASN 77 32.976 7.872 -1.706 581 HD22 ASN 77 2HD2 ASN 77 32.351 6.365 -2.273 582 H ASP 78 H ASP 78 27.769 11.579 -2.478 583 HA ASP 78 HA ASP 78 28.891 13.687 -0.966 584 HB2 ASP 78 2HB ASP 78 29.182 13.820 -3.898 585 HB3 ASP 78 3HB ASP 78 28.507 15.266 -3.152 586 H ALA 79 H ALA 79 26.821 13.028 -0.014 587 HA ALA 79 HA ALA 79 24.613 14.573 -1.188 588 HB1 ALA 79 1HB ALA 79 23.018 12.843 -0.618 589 HB2 ALA 79 2HB ALA 79 24.260 12.188 -1.686 590 HB3 ALA 79 3HB ALA 79 24.307 11.837 0.042 591 H SER 80 H SER 80 25.325 16.177 0.369 592 HA SER 80 HA SER 80 25.541 15.857 3.100 593 HB2 SER 80 2HB SER 80 24.722 18.150 1.359 594 HB3 SER 80 3HB SER 80 24.567 18.307 3.109 595 HG SER 80 HG SER 80 26.596 18.890 2.903 596 H SER 81 H SER 81 22.640 17.295 1.619 597 HA SER 81 HA SER 81 21.027 15.883 3.642 598 HB2 SER 81 2HB SER 81 20.854 18.148 4.233 599 HB3 SER 81 3HB SER 81 20.810 18.678 2.551 600 HG SER 81 HG SER 81 18.738 18.798 3.264 601 H VAL 82 H VAL 82 18.789 15.431 3.006 602 HA VAL 82 HA VAL 82 18.329 15.284 0.119 603 HB VAL 82 HB VAL 82 17.468 12.916 0.436 604 HG11 VAL 82 1HG1 VAL 82 20.365 13.669 0.537 605 HG12 VAL 82 2HG1 VAL 82 19.872 11.978 0.445 606 HG13 VAL 82 3HG1 VAL 82 19.408 13.104 -0.832 607 HG21 VAL 82 3HG2 VAL 82 17.437 13.012 2.917 608 HG22 VAL 82 1HG2 VAL 82 18.320 11.624 2.279 609 HG23 VAL 82 2HG2 VAL 82 19.200 13.019 2.903 610 H ARG 83 H ARG 83 16.065 14.631 -0.387 611 HA ARG 83 HA ARG 83 14.183 15.282 1.772 612 HB2 ARG 83 2HB ARG 83 14.792 16.952 -0.436 613 HB3 ARG 83 3HB ARG 83 13.183 16.298 -0.712 614 HG2 ARG 83 2HG ARG 83 12.279 17.386 1.069 615 HG3 ARG 83 3HG ARG 83 13.790 17.381 1.981 616 HD2 ARG 83 2HD ARG 83 14.607 19.243 0.893 617 HD3 ARG 83 3HD ARG 83 13.597 18.984 -0.528 618 HE ARG 83 HE ARG 83 12.133 19.630 1.868 619 HH11 ARG 83 1HH1 ARG 83 13.772 20.881 -0.937 620 HH12 ARG 83 2HH1 ARG 83 12.910 22.383 -0.932 621 HH21 ARG 83 1HH2 ARG 83 10.991 21.604 1.886 622 HH22 ARG 83 2HH2 ARG 83 11.329 22.794 0.674 623 H VAL 84 H VAL 84 12.355 14.081 1.803 624 HA VAL 84 HA VAL 84 11.752 12.389 -0.521 625 HB VAL 84 HB VAL 84 11.421 10.436 0.819 626 HG11 VAL 84 1HG1 VAL 84 13.703 10.807 0.084 627 HG12 VAL 84 2HG1 VAL 84 14.039 11.752 1.536 628 HG13 VAL 84 3HG1 VAL 84 13.694 10.027 1.666 629 HG21 VAL 84 3HG2 VAL 84 10.635 10.834 2.887 630 HG22 VAL 84 1HG2 VAL 84 12.339 10.851 3.344 631 HG23 VAL 84 2HG2 VAL 84 11.495 12.367 3.028 632 H SER 85 H SER 85 9.618 12.102 -0.939 633 HA SER 85 HA SER 85 7.580 12.580 1.021 634 HB2 SER 85 2HB SER 85 7.542 14.482 -1.311 635 HB3 SER 85 3HB SER 85 6.637 14.570 0.200 636 HG SER 85 HG SER 85 8.205 15.920 0.673 637 H LYS 86 H LYS 86 5.372 12.399 0.038 638 HA LYS 86 HA LYS 86 5.452 10.394 -2.097 639 HB2 LYS 86 2HB LYS 86 3.042 11.077 -0.431 640 HB3 LYS 86 3HB LYS 86 3.388 9.585 -1.296 641 HG2 LYS 86 2HG LYS 86 4.825 10.573 1.160 642 HG3 LYS 86 3HG LYS 86 3.610 9.293 1.109 643 HD2 LYS 86 2HD LYS 86 5.146 7.785 0.541 644 HD3 LYS 86 3HD LYS 86 5.687 8.778 -0.814 645 HE2 LYS 86 2HE LYS 86 7.463 8.259 0.863 646 HE3 LYS 86 3HE LYS 86 7.205 9.981 0.583 647 HZ1 LYS 86 3HZ LYS 86 5.892 8.548 2.813 648 HZ2 LYS 86 1HZ LYS 86 6.109 10.215 2.618 649 HZ3 LYS 86 2HZ LYS 86 7.434 9.226 2.972 650 H MET 87 H MET 87 5.011 11.028 -4.095 651 HA MET 87 HA MET 87 3.494 13.490 -4.521 652 HB2 MET 87 2HB MET 87 5.606 13.339 -5.696 653 HB3 MET 87 3HB MET 87 5.143 11.798 -6.405 654 HG2 MET 87 2HG MET 87 3.601 12.784 -7.843 655 HG3 MET 87 3HG MET 87 3.538 14.273 -6.903 656 HE1 MET 87 3HE MET 87 5.274 13.185 -10.473 657 HE2 MET 87 1HE MET 87 6.738 12.688 -9.623 658 HE3 MET 87 2HE MET 87 5.179 11.999 -9.170 659 H GLU 88 H GLU 88 3.659 10.503 -6.444 660 HA GLU 88 HA GLU 88 2.039 9.329 -7.537 661 HB2 GLU 88 2HB GLU 88 1.634 8.780 -5.079 662 HB3 GLU 88 3HB GLU 88 0.302 9.925 -5.147 663 HG2 GLU 88 2HG GLU 88 -0.731 8.597 -6.933 664 HG3 GLU 88 3HG GLU 88 0.589 7.435 -6.813 665 H THR 89 H THR 89 2.049 11.432 -8.881 666 HA THR 89 HA THR 89 -0.127 13.227 -8.693 667 HB THR 89 HB THR 89 0.479 13.470 -11.280 668 HG1 THR 89 HG1 THR 89 1.905 11.833 -11.556 669 HG21 THR 89 3HG2 THR 89 2.181 14.374 -8.958 670 HG22 THR 89 1HG2 THR 89 0.824 15.234 -9.685 671 HG23 THR 89 2HG2 THR 89 2.319 15.015 -10.595 672 H THR 90 H THR 90 0.432 10.406 -10.791 673 HA THR 90 HA THR 90 -2.339 10.521 -11.703 674 HB THR 90 HB THR 90 -0.584 8.307 -12.599 675 HG1 THR 90 HG1 THR 90 0.324 9.941 -14.159 676 HG21 THR 90 3HG2 THR 90 -1.689 9.829 -14.714 677 HG22 THR 90 1HG2 THR 90 -2.929 9.686 -13.468 678 HG23 THR 90 2HG2 THR 90 -2.185 8.236 -14.144 679 H ASN 91 H ASN 91 -3.901 9.208 -10.991 680 HA ASN 91 HA ASN 91 -4.985 7.697 -9.675 681 HB2 ASN 91 2HB ASN 91 -3.764 6.259 -11.443 682 HB3 ASN 91 3HB ASN 91 -2.669 5.830 -10.132 683 HD21 ASN 91 1HD2 ASN 91 -4.929 4.494 -11.774 684 HD22 ASN 91 2HD2 ASN 91 -5.826 3.643 -10.567 Start of MODEL 9 1 H GLY 1 H GLY 1 6.389 -3.977 0.271 2 HA2 GLY 1 2HA GLY 1 7.449 -1.222 0.422 3 HA3 GLY 1 3HA GLY 1 7.977 -2.401 -0.769 4 H GLU 2 H GLU 2 5.530 -0.116 0.118 5 HA GLU 2 HA GLU 2 4.424 -0.322 -2.591 6 HB2 GLU 2 2HB GLU 2 3.035 -0.910 -0.115 7 HB3 GLU 2 3HB GLU 2 2.258 0.406 -0.983 8 HG2 GLU 2 2HG GLU 2 2.230 -1.046 -3.010 9 HG3 GLU 2 3HG GLU 2 2.815 -2.367 -2.000 10 H LYS 3 H LYS 3 4.680 1.571 0.386 11 HA LYS 3 HA LYS 3 4.756 4.005 -1.254 12 HB2 LYS 3 2HB LYS 3 3.464 5.166 0.581 13 HB3 LYS 3 3HB LYS 3 2.539 4.035 -0.398 14 HG2 LYS 3 2HG LYS 3 2.251 2.567 1.315 15 HG3 LYS 3 3HG LYS 3 3.767 3.013 2.101 16 HD2 LYS 3 2HD LYS 3 2.822 5.007 2.981 17 HD3 LYS 3 3HD LYS 3 1.381 4.847 1.974 18 HE2 LYS 3 2HE LYS 3 0.708 2.869 3.203 19 HE3 LYS 3 3HE LYS 3 2.187 2.931 4.160 20 HZ1 LYS 3 3HZ LYS 3 0.711 3.952 5.553 21 HZ2 LYS 3 1HZ LYS 3 -0.188 4.648 4.300 22 HZ3 LYS 3 2HZ LYS 3 1.311 5.302 4.729 23 H THR 4 H THR 4 7.041 2.856 -0.492 24 HA THR 4 HA THR 4 8.123 4.793 1.373 25 HB THR 4 HB THR 4 9.361 2.928 2.617 26 HG1 THR 4 HG1 THR 4 8.274 1.376 0.947 27 HG21 THR 4 3HG2 THR 4 7.809 2.984 4.317 28 HG22 THR 4 1HG2 THR 4 6.441 2.791 3.221 29 HG23 THR 4 2HG2 THR 4 7.266 4.346 3.337 30 H VAL 5 H VAL 5 10.313 5.163 1.099 31 HA VAL 5 HA VAL 5 11.447 4.050 -1.348 32 HB VAL 5 HB VAL 5 11.425 6.525 -0.939 33 HG11 VAL 5 1HG1 VAL 5 11.938 6.435 1.466 34 HG12 VAL 5 2HG1 VAL 5 13.567 5.872 1.083 35 HG13 VAL 5 3HG1 VAL 5 13.049 7.483 0.585 36 HG21 VAL 5 3HG2 VAL 5 12.984 5.362 -2.511 37 HG22 VAL 5 1HG2 VAL 5 13.587 6.898 -1.888 38 HG23 VAL 5 2HG2 VAL 5 14.197 5.379 -1.232 39 H LYS 6 H LYS 6 13.649 3.308 -1.430 40 HA LYS 6 HA LYS 6 14.824 2.485 1.120 41 HB2 LYS 6 2HB LYS 6 13.999 0.657 -1.120 42 HB3 LYS 6 3HB LYS 6 15.307 0.218 -0.029 43 HG2 LYS 6 2HG LYS 6 13.770 -0.639 1.316 44 HG3 LYS 6 3HG LYS 6 13.239 1.011 1.648 45 HD2 LYS 6 2HD LYS 6 11.742 0.833 -0.357 46 HD3 LYS 6 3HD LYS 6 12.169 -0.878 -0.445 47 HE2 LYS 6 2HE LYS 6 10.042 -0.503 0.733 48 HE3 LYS 6 3HE LYS 6 11.258 -1.251 1.767 49 HZ1 LYS 6 3HZ LYS 6 11.045 1.667 1.792 50 HZ2 LYS 6 1HZ LYS 6 11.449 0.603 3.044 51 HZ3 LYS 6 2HZ LYS 6 9.834 0.783 2.576 52 H LEU 7 H LEU 7 16.701 3.559 1.024 53 HA LEU 7 HA LEU 7 18.192 3.624 -1.494 54 HB2 LEU 7 2HB LEU 7 18.074 5.297 0.927 55 HB3 LEU 7 3HB LEU 7 19.675 5.103 0.215 56 HG LEU 7 HG LEU 7 18.936 6.074 -1.853 57 HD11 LEU 7 1HD1 LEU 7 16.617 6.950 -2.069 58 HD12 LEU 7 2HD1 LEU 7 16.199 6.078 -0.594 59 HD13 LEU 7 3HD1 LEU 7 16.719 5.189 -2.026 60 HD21 LEU 7 3HD2 LEU 7 17.641 8.070 -0.205 61 HD22 LEU 7 1HD2 LEU 7 19.186 8.135 -1.055 62 HD23 LEU 7 2HD2 LEU 7 19.097 7.433 0.560 63 H TYR 8 H TYR 8 19.997 2.480 -1.817 64 HA TYR 8 HA TYR 8 21.097 0.986 0.471 65 HB2 TYR 8 2HB TYR 8 21.376 0.210 -2.431 66 HB3 TYR 8 3HB TYR 8 21.682 -0.783 -1.010 67 HD1 TYR 8 HD2 TYR 8 19.039 0.766 -3.070 68 HD2 TYR 8 HD1 TYR 8 19.919 -1.972 0.066 69 HE1 TYR 8 HE2 TYR 8 16.739 -0.098 -3.187 70 HE2 TYR 8 HE1 TYR 8 17.622 -2.844 -0.043 71 HH TYR 8 HH TYR 8 15.688 -2.639 -2.407 72 H GLU 9 H GLU 9 23.332 0.815 0.708 73 HA GLU 9 HA GLU 9 24.819 3.081 -0.200 74 HB2 GLU 9 2HB GLU 9 26.561 2.322 1.206 75 HB3 GLU 9 3HB GLU 9 25.069 1.907 2.039 76 HG2 GLU 9 2HG GLU 9 25.407 -0.379 0.768 77 HG3 GLU 9 3HG GLU 9 27.090 0.146 0.769 78 H ASP 10 H ASP 10 24.590 -0.283 -1.122 79 HA ASP 10 HA ASP 10 26.719 0.114 -3.113 80 HB2 ASP 10 2HB ASP 10 25.849 -2.175 -1.499 81 HB3 ASP 10 3HB ASP 10 26.098 -2.564 -3.198 82 H THR 11 H THR 11 26.244 0.182 -5.216 83 HA THR 11 HA THR 11 23.619 0.435 -6.142 84 HB THR 11 HB THR 11 25.569 1.368 -7.332 85 HG1 THR 11 HG1 THR 11 24.688 1.032 -9.340 86 HG21 THR 11 3HG2 THR 11 26.084 -1.450 -8.278 87 HG22 THR 11 1HG2 THR 11 27.025 -0.646 -7.023 88 HG23 THR 11 2HG2 THR 11 27.015 -0.003 -8.665 89 H HIS 12 H HIS 12 22.715 -0.921 -7.988 90 HA HIS 12 HA HIS 12 21.826 -2.877 -8.738 91 HB2 HIS 12 2HB HIS 12 24.326 -3.369 -9.052 92 HB3 HIS 12 3HB HIS 12 24.202 -4.321 -7.576 93 HD1 HIS 12 HD1 HIS 12 24.816 -6.419 -9.053 94 HD2 HIS 12 HD2 HIS 12 21.182 -4.620 -9.956 95 HE1 HIS 12 HE1 HIS 12 23.571 -8.089 -10.460 96 H PHE 13 H PHE 13 21.056 -1.919 -6.201 97 HA PHE 13 HA PHE 13 19.988 -2.524 -4.282 98 HB2 PHE 13 2HB PHE 13 19.503 -4.975 -5.981 99 HB3 PHE 13 3HB PHE 13 18.712 -4.694 -4.434 100 HD1 PHE 13 HD1 PHE 13 19.255 -3.075 -7.742 101 HD2 PHE 13 HD2 PHE 13 16.691 -3.587 -4.383 102 HE1 PHE 13 HE1 PHE 13 17.510 -1.766 -8.879 103 HE2 PHE 13 HE2 PHE 13 14.941 -2.279 -5.516 104 HZ PHE 13 HZ PHE 13 15.349 -1.367 -7.767 105 H LYS 14 H LYS 14 22.542 -2.683 -3.775 106 HA LYS 14 HA LYS 14 22.840 -5.190 -2.266 107 HB2 LYS 14 2HB LYS 14 24.602 -4.084 -4.318 108 HB3 LYS 14 3HB LYS 14 25.437 -4.412 -2.806 109 HG2 LYS 14 2HG LYS 14 25.563 -6.546 -3.361 110 HG3 LYS 14 3HG LYS 14 23.800 -6.645 -3.343 111 HD2 LYS 14 2HD LYS 14 24.424 -7.371 -5.488 112 HD3 LYS 14 3HD LYS 14 23.894 -5.702 -5.714 113 HE2 LYS 14 2HE LYS 14 25.839 -5.414 -6.780 114 HE3 LYS 14 3HE LYS 14 26.564 -5.409 -5.173 115 HZ1 LYS 14 3HZ LYS 14 27.501 -7.398 -5.507 116 HZ2 LYS 14 1HZ LYS 14 27.249 -7.089 -7.151 117 HZ3 LYS 14 2HZ LYS 14 26.145 -8.038 -6.290 118 H GLY 15 H GLY 15 24.209 -5.023 -0.371 119 HA2 GLY 15 2HA GLY 15 25.242 -3.882 1.382 120 HA3 GLY 15 3HA GLY 15 24.949 -2.369 0.538 121 H TYR 16 H TYR 16 24.449 -1.843 2.897 122 HA TYR 16 HA TYR 16 22.137 -2.794 4.159 123 HB2 TYR 16 2HB TYR 16 24.117 -1.143 4.915 124 HB3 TYR 16 3HB TYR 16 22.872 0.053 4.572 125 HD1 TYR 16 HD1 TYR 16 23.262 -3.196 6.383 126 HD2 TYR 16 HD2 TYR 16 21.461 0.658 6.293 127 HE1 TYR 16 HE1 TYR 16 22.255 -3.621 8.586 128 HE2 TYR 16 HE2 TYR 16 20.450 0.244 8.497 129 HH TYR 16 HH TYR 16 20.036 -1.302 10.071 130 H SER 17 H SER 17 20.338 -1.044 4.742 131 HA SER 17 HA SER 17 19.450 0.391 2.364 132 HB2 SER 17 2HB SER 17 17.127 -0.910 3.238 133 HB3 SER 17 3HB SER 17 18.012 -1.215 1.743 134 HG SER 17 HG SER 17 19.063 -2.882 2.693 135 H VAL 18 H VAL 18 18.126 2.115 2.796 136 HA VAL 18 HA VAL 18 17.335 2.530 5.601 137 HB VAL 18 HB VAL 18 19.376 3.841 5.101 138 HG11 VAL 18 1HG1 VAL 18 18.295 4.224 2.637 139 HG12 VAL 18 2HG1 VAL 18 17.961 5.775 3.410 140 HG13 VAL 18 3HG1 VAL 18 19.617 5.176 3.311 141 HG21 VAL 18 3HG2 VAL 18 17.762 6.131 5.393 142 HG22 VAL 18 1HG2 VAL 18 16.897 4.798 6.157 143 HG23 VAL 18 2HG2 VAL 18 18.542 5.186 6.661 144 H GLU 19 H GLU 19 15.312 3.263 5.898 145 HA GLU 19 HA GLU 19 13.734 3.864 3.497 146 HB2 GLU 19 2HB GLU 19 11.854 3.050 4.590 147 HB3 GLU 19 3HB GLU 19 13.126 2.002 5.202 148 HG2 GLU 19 2HG GLU 19 11.959 4.388 6.617 149 HG3 GLU 19 3HG GLU 19 11.636 2.694 6.983 150 H LEU 20 H LEU 20 12.561 5.727 3.291 151 HA LEU 20 HA LEU 20 12.722 7.692 5.468 152 HB2 LEU 20 2HB LEU 20 13.110 8.466 2.594 153 HB3 LEU 20 3HB LEU 20 13.413 9.429 4.039 154 HG LEU 20 HG LEU 20 15.039 7.060 3.116 155 HD11 LEU 20 1HD1 LEU 20 15.236 9.170 1.772 156 HD12 LEU 20 2HD1 LEU 20 16.730 8.618 2.528 157 HD13 LEU 20 3HD1 LEU 20 15.830 9.961 3.232 158 HD21 LEU 20 3HD2 LEU 20 14.736 8.114 5.692 159 HD22 LEU 20 1HD2 LEU 20 16.273 8.739 5.095 160 HD23 LEU 20 2HD2 LEU 20 15.981 7.000 5.126 161 HA PRO 21 HA PRO 21 8.381 7.341 4.018 162 HB2 PRO 21 2HB PRO 21 7.310 7.754 6.478 163 HB3 PRO 21 3HB PRO 21 7.851 6.166 5.920 164 HG2 PRO 21 2HG PRO 21 9.257 8.134 7.684 165 HG3 PRO 21 3HG PRO 21 9.127 6.373 7.852 166 HD2 PRO 21 2HD PRO 21 11.333 7.583 6.851 167 HD3 PRO 21 3HD PRO 21 10.798 5.978 6.314 168 H VAL 22 H VAL 22 9.103 9.433 2.976 169 HA VAL 22 HA VAL 22 8.897 11.677 2.621 170 HB VAL 22 HB VAL 22 6.472 11.313 4.387 171 HG11 VAL 22 1HG1 VAL 22 5.838 13.276 2.625 172 HG12 VAL 22 2HG1 VAL 22 6.431 13.559 4.263 173 HG13 VAL 22 3HG1 VAL 22 7.549 13.606 2.899 174 HG21 VAL 22 3HG2 VAL 22 6.190 9.819 2.614 175 HG22 VAL 22 1HG2 VAL 22 5.340 11.270 2.081 176 HG23 VAL 22 2HG2 VAL 22 6.948 10.908 1.452 177 H GLY 23 H GLY 23 10.704 12.504 3.638 178 HA2 GLY 23 2HA GLY 23 10.233 14.243 5.840 179 HA3 GLY 23 3HA GLY 23 11.136 12.826 6.354 180 H ASP 24 H ASP 24 12.332 15.195 6.688 181 HA ASP 24 HA ASP 24 14.234 15.407 4.449 182 HB2 ASP 24 2HB ASP 24 14.744 17.646 5.840 183 HB3 ASP 24 3HB ASP 24 13.513 17.565 4.582 184 H TYR 25 H TYR 25 16.363 15.081 4.801 185 HA TYR 25 HA TYR 25 17.254 14.681 7.577 186 HB2 TYR 25 2HB TYR 25 18.230 12.979 5.290 187 HB3 TYR 25 3HB TYR 25 18.434 12.705 7.017 188 HD1 TYR 25 HD2 TYR 25 15.808 12.905 4.381 189 HD2 TYR 25 HD1 TYR 25 16.963 11.298 8.148 190 HE1 TYR 25 HE2 TYR 25 13.797 11.488 4.387 191 HE2 TYR 25 HE1 TYR 25 14.957 9.876 8.164 192 HH TYR 25 HH TYR 25 13.181 9.184 7.015 193 H ASN 26 H ASN 26 19.461 15.109 7.987 194 HA ASN 26 HA ASN 26 20.727 16.811 5.944 195 HB2 ASN 26 2HB ASN 26 21.264 16.915 8.913 196 HB3 ASN 26 3HB ASN 26 21.711 18.102 7.692 197 HD21 ASN 26 1HD2 ASN 26 19.591 17.429 10.103 198 HD22 ASN 26 2HD2 ASN 26 18.289 18.467 9.643 199 H LEU 27 H LEU 27 23.248 17.021 6.964 200 HA LEU 27 HA LEU 27 24.481 14.664 6.049 201 HB2 LEU 27 2HB LEU 27 25.760 16.582 5.815 202 HB3 LEU 27 3HB LEU 27 25.436 17.117 7.463 203 HG LEU 27 HG LEU 27 26.954 14.624 7.331 204 HD11 LEU 27 1HD1 LEU 27 27.770 16.905 5.688 205 HD12 LEU 27 2HD1 LEU 27 28.303 15.225 5.649 206 HD13 LEU 27 3HD1 LEU 27 29.001 16.344 6.819 207 HD21 LEU 27 3HD2 LEU 27 27.005 17.221 8.794 208 HD22 LEU 27 1HD2 LEU 27 28.443 16.200 8.799 209 HD23 LEU 27 2HD2 LEU 27 26.916 15.575 9.421 210 H SER 28 H SER 28 24.289 16.011 9.345 211 HA SER 28 HA SER 28 25.488 13.778 10.597 212 HB2 SER 28 2HB SER 28 24.205 16.270 11.431 213 HB3 SER 28 3HB SER 28 23.907 14.938 12.548 214 HG SER 28 HG SER 28 25.823 16.005 13.095 215 H SER 29 H SER 29 22.142 14.638 9.906 216 HA SER 29 HA SER 29 20.970 12.528 11.405 217 HB2 SER 29 2HB SER 29 20.054 14.735 9.882 218 HB3 SER 29 3HB SER 29 19.300 13.295 9.199 219 HG SER 29 HG SER 29 19.010 14.437 11.722 220 H LEU 30 H LEU 30 22.296 12.774 8.199 221 HA LEU 30 HA LEU 30 21.079 10.549 7.005 222 HB2 LEU 30 2HB LEU 30 23.378 12.269 6.487 223 HB3 LEU 30 3HB LEU 30 23.598 10.619 5.910 224 HG LEU 30 HG LEU 30 21.090 12.058 5.189 225 HD11 LEU 30 1HD1 LEU 30 22.011 13.461 3.681 226 HD12 LEU 30 2HD1 LEU 30 23.371 12.390 3.348 227 HD13 LEU 30 3HD1 LEU 30 23.379 13.400 4.793 228 HD21 LEU 30 3HD2 LEU 30 22.626 10.493 3.235 229 HD22 LEU 30 1HD2 LEU 30 20.906 10.457 3.624 230 HD23 LEU 30 2HD2 LEU 30 22.058 9.587 4.638 231 H ILE 31 H ILE 31 24.150 10.817 8.777 232 HA ILE 31 HA ILE 31 24.694 8.010 8.616 233 HB ILE 31 HB ILE 31 25.919 10.131 10.382 234 HG12 ILE 31 2HG1 ILE 31 27.795 9.323 8.523 235 HG13 ILE 31 3HG1 ILE 31 26.302 9.334 7.592 236 HG21 ILE 31 1HG2 ILE 31 26.652 8.327 11.515 237 HG22 ILE 31 2HG2 ILE 31 26.333 7.226 10.176 238 HG23 ILE 31 3HG2 ILE 31 27.799 8.206 10.181 239 HD11 ILE 31 3HD1 ILE 31 27.932 11.494 8.131 240 HD12 ILE 31 1HD1 ILE 31 26.291 11.547 7.489 241 HD13 ILE 31 2HD1 ILE 31 26.565 11.704 9.225 242 H SER 32 H SER 32 23.113 10.127 10.901 243 HA SER 32 HA SER 32 23.141 8.576 13.196 244 HB2 SER 32 2HB SER 32 21.751 10.877 12.273 245 HB3 SER 32 3HB SER 32 20.552 9.771 12.943 246 HG SER 32 HG SER 32 22.067 11.369 14.293 247 H ARG 33 H ARG 33 21.265 8.209 10.277 248 HA ARG 33 HA ARG 33 19.593 6.139 11.460 249 HB2 ARG 33 2HB ARG 33 19.240 7.980 9.382 250 HB3 ARG 33 3HB ARG 33 19.345 6.414 8.589 251 HG2 ARG 33 2HG ARG 33 17.166 6.252 9.018 252 HG3 ARG 33 3HG ARG 33 17.657 5.894 10.675 253 HD2 ARG 33 2HD ARG 33 17.700 8.546 10.822 254 HD3 ARG 33 3HD ARG 33 16.527 8.382 9.516 255 HE ARG 33 HE ARG 33 15.804 6.655 11.603 256 HH11 ARG 33 1HH1 ARG 33 15.991 10.058 10.894 257 HH12 ARG 33 2HH1 ARG 33 14.703 10.486 11.972 258 HH21 ARG 33 1HH2 ARG 33 14.107 7.205 13.024 259 HH22 ARG 33 2HH2 ARG 33 13.633 8.863 13.183 260 H GLY 34 H GLY 34 22.492 6.441 9.646 261 HA2 GLY 34 2HA GLY 34 23.938 4.467 9.618 262 HA3 GLY 34 3HA GLY 34 22.509 3.514 9.245 263 H ALA 35 H ALA 35 23.620 6.580 7.843 264 HA ALA 35 HA ALA 35 24.370 5.274 5.369 265 HB1 ALA 35 1HB ALA 35 22.015 7.153 5.483 266 HB2 ALA 35 2HB ALA 35 22.808 6.622 3.999 267 HB3 ALA 35 3HB ALA 35 21.993 5.448 5.032 268 H LEU 36 H LEU 36 26.174 6.241 4.740 269 HA LEU 36 HA LEU 36 26.920 8.824 5.759 270 HB2 LEU 36 2HB LEU 36 28.298 6.606 4.939 271 HB3 LEU 36 3HB LEU 36 28.544 7.717 3.593 272 HG LEU 36 HG LEU 36 30.398 7.948 5.061 273 HD11 LEU 36 1HD1 LEU 36 28.724 10.287 5.865 274 HD12 LEU 36 2HD1 LEU 36 29.125 10.029 4.168 275 HD13 LEU 36 3HD1 LEU 36 30.412 10.234 5.356 276 HD21 LEU 36 3HD2 LEU 36 29.530 8.911 7.475 277 HD22 LEU 36 1HD2 LEU 36 30.079 7.263 7.166 278 HD23 LEU 36 2HD2 LEU 36 28.356 7.641 7.126 279 H ASN 37 H ASN 37 27.103 10.737 4.663 280 HA ASN 37 HA ASN 37 25.318 11.362 2.658 281 HB2 ASN 37 2HB ASN 37 26.930 13.353 2.239 282 HB3 ASN 37 3HB ASN 37 26.175 13.196 3.823 283 HD21 ASN 37 1HD2 ASN 37 29.110 13.104 2.031 284 HD22 ASN 37 2HD2 ASN 37 30.181 12.947 3.378 285 H ASP 38 H ASP 38 28.771 10.594 2.331 286 HA ASP 38 HA ASP 38 28.374 10.342 -0.574 287 HB2 ASP 38 2HB ASP 38 30.974 10.353 -0.528 288 HB3 ASP 38 3HB ASP 38 30.111 11.871 -0.295 289 H ASP 39 H ASP 39 27.533 8.251 -0.573 290 HA ASP 39 HA ASP 39 29.405 6.158 -0.724 291 HB2 ASP 39 2HB ASP 39 29.485 6.156 1.665 292 HB3 ASP 39 3HB ASP 39 27.730 6.250 1.786 293 H LEU 40 H LEU 40 26.062 7.135 -0.283 294 HA LEU 40 HA LEU 40 24.679 4.886 -1.015 295 HB2 LEU 40 2HB LEU 40 24.217 7.778 -1.190 296 HB3 LEU 40 3HB LEU 40 23.268 6.814 -2.321 297 HG LEU 40 HG LEU 40 22.243 5.603 -0.516 298 HD11 LEU 40 1HD1 LEU 40 22.976 6.864 1.826 299 HD12 LEU 40 2HD1 LEU 40 24.506 6.633 0.981 300 HD13 LEU 40 3HD1 LEU 40 23.464 5.250 1.311 301 HD21 LEU 40 3HD2 LEU 40 21.136 7.484 0.692 302 HD22 LEU 40 1HD2 LEU 40 21.157 7.662 -1.062 303 HD23 LEU 40 2HD2 LEU 40 22.287 8.584 -0.070 304 H SER 41 H SER 41 24.656 3.622 -2.745 305 HA SER 41 HA SER 41 25.562 4.745 -5.316 306 HB2 SER 41 2HB SER 41 26.030 1.980 -4.179 307 HB3 SER 41 3HB SER 41 26.382 2.431 -5.848 308 HG SER 41 HG SER 41 28.185 3.228 -5.155 309 H SER 42 H SER 42 23.035 3.327 -3.622 310 HA SER 42 HA SER 42 21.574 2.863 -6.119 311 HB2 SER 42 2HB SER 42 22.433 0.790 -4.382 312 HB3 SER 42 3HB SER 42 20.688 0.946 -4.180 313 HG SER 42 HG SER 42 20.406 0.177 -6.118 314 H ALA 43 H ALA 43 19.319 3.145 -5.971 315 HA ALA 43 HA ALA 43 18.108 3.892 -3.462 316 HB1 ALA 43 1HB ALA 43 19.085 6.000 -3.879 317 HB2 ALA 43 2HB ALA 43 18.645 5.950 -5.587 318 HB3 ALA 43 3HB ALA 43 17.394 6.147 -4.360 319 H ARG 44 H ARG 44 16.296 2.741 -3.592 320 HA ARG 44 HA ARG 44 14.865 2.633 -6.158 321 HB2 ARG 44 2HB ARG 44 15.556 0.470 -5.129 322 HB3 ARG 44 3HB ARG 44 14.538 0.842 -3.745 323 HG2 ARG 44 2HG ARG 44 13.149 1.014 -6.309 324 HG3 ARG 44 3HG ARG 44 13.774 -0.593 -5.932 325 HD2 ARG 44 2HD ARG 44 12.707 -0.090 -3.579 326 HD3 ARG 44 3HD ARG 44 11.721 1.034 -4.513 327 HE ARG 44 HE ARG 44 11.549 -1.827 -4.514 328 HH11 ARG 44 1HH1 ARG 44 10.981 1.056 -6.381 329 HH12 ARG 44 2HH1 ARG 44 9.756 0.332 -7.369 330 HH21 ARG 44 1HH2 ARG 44 9.938 -2.792 -5.808 331 HH22 ARG 44 2HH2 ARG 44 9.163 -1.857 -7.042 332 H VAL 45 H VAL 45 13.118 3.853 -6.363 333 HA VAL 45 HA VAL 45 11.668 4.662 -3.927 334 HB VAL 45 HB VAL 45 11.044 6.699 -4.977 335 HG11 VAL 45 1HG1 VAL 45 13.248 6.796 -4.054 336 HG12 VAL 45 2HG1 VAL 45 13.944 6.074 -5.506 337 HG13 VAL 45 3HG1 VAL 45 13.254 7.697 -5.570 338 HG21 VAL 45 3HG2 VAL 45 12.183 6.979 -7.409 339 HG22 VAL 45 1HG2 VAL 45 11.778 5.263 -7.441 340 HG23 VAL 45 2HG2 VAL 45 10.516 6.462 -7.158 341 HA PRO 46 HA PRO 46 8.176 2.448 -5.468 342 HB2 PRO 46 2HB PRO 46 6.261 3.646 -3.963 343 HB3 PRO 46 3HB PRO 46 7.406 2.473 -3.304 344 HG2 PRO 46 2HG PRO 46 7.473 5.463 -3.175 345 HG3 PRO 46 3HG PRO 46 7.826 4.280 -1.902 346 HD2 PRO 46 2HD PRO 46 9.773 5.539 -3.300 347 HD3 PRO 46 3HD PRO 46 9.956 3.884 -2.686 348 H SER 47 H SER 47 5.886 2.967 -6.259 349 HA SER 47 HA SER 47 6.106 4.988 -8.295 350 HB2 SER 47 2HB SER 47 4.290 2.735 -7.691 351 HB3 SER 47 3HB SER 47 3.552 4.098 -8.530 352 HG SER 47 HG SER 47 4.376 2.743 -10.078 353 H GLY 48 H GLY 48 5.681 7.054 -7.907 354 HA2 GLY 48 2HA GLY 48 4.122 8.797 -7.476 355 HA3 GLY 48 3HA GLY 48 3.276 7.728 -6.368 356 H LEU 49 H LEU 49 6.748 8.350 -6.439 357 HA LEU 49 HA LEU 49 6.511 9.893 -3.956 358 HB2 LEU 49 2HB LEU 49 7.068 7.337 -3.726 359 HB3 LEU 49 3HB LEU 49 8.682 7.864 -4.198 360 HG LEU 49 HG LEU 49 7.435 9.353 -1.974 361 HD11 LEU 49 1HD1 LEU 49 6.941 6.777 -1.769 362 HD12 LEU 49 2HD1 LEU 49 7.487 7.717 -0.380 363 HD13 LEU 49 3HD1 LEU 49 8.634 6.722 -1.278 364 HD21 LEU 49 3HD2 LEU 49 9.571 10.036 -2.128 365 HD22 LEU 49 1HD2 LEU 49 10.093 8.565 -2.950 366 HD23 LEU 49 2HD2 LEU 49 9.910 8.578 -1.195 367 H ARG 50 H ARG 50 7.839 11.606 -3.853 368 HA ARG 50 HA ARG 50 9.838 11.893 -5.993 369 HB2 ARG 50 2HB ARG 50 8.044 13.826 -4.595 370 HB3 ARG 50 3HB ARG 50 9.594 14.404 -5.191 371 HG2 ARG 50 2HG ARG 50 8.996 13.597 -7.442 372 HG3 ARG 50 3HG ARG 50 7.416 13.115 -6.821 373 HD2 ARG 50 2HD ARG 50 8.561 15.885 -7.065 374 HD3 ARG 50 3HD ARG 50 7.115 15.231 -7.833 375 HE ARG 50 HE ARG 50 6.628 15.040 -5.149 376 HH11 ARG 50 1HH1 ARG 50 7.456 17.614 -7.342 377 HH12 ARG 50 2HH1 ARG 50 6.621 18.831 -6.435 378 HH21 ARG 50 1HH2 ARG 50 5.525 16.633 -3.946 379 HH22 ARG 50 2HH2 ARG 50 5.524 18.272 -4.503 380 H LEU 51 H LEU 51 11.861 12.878 -5.499 381 HA LEU 51 HA LEU 51 12.584 13.156 -2.693 382 HB2 LEU 51 2HB LEU 51 13.982 11.239 -4.554 383 HB3 LEU 51 3HB LEU 51 14.544 11.687 -2.945 384 HG LEU 51 HG LEU 51 12.104 10.764 -2.318 385 HD11 LEU 51 1HD1 LEU 51 12.840 9.534 -4.931 386 HD12 LEU 51 2HD1 LEU 51 11.259 10.018 -4.317 387 HD13 LEU 51 3HD1 LEU 51 12.030 8.552 -3.710 388 HD21 LEU 51 3HD2 LEU 51 14.420 8.899 -2.771 389 HD22 LEU 51 1HD2 LEU 51 13.177 8.815 -1.522 390 HD23 LEU 51 2HD2 LEU 51 14.390 10.095 -1.475 391 H GLU 52 H GLU 52 14.631 14.219 -2.373 392 HA GLU 52 HA GLU 52 15.733 15.523 -4.762 393 HB2 GLU 52 2HB GLU 52 14.760 16.867 -2.247 394 HB3 GLU 52 3HB GLU 52 15.913 17.634 -3.330 395 HG2 GLU 52 2HG GLU 52 14.354 17.734 -5.089 396 HG3 GLU 52 3HG GLU 52 13.254 16.621 -4.279 397 H VAL 53 H VAL 53 17.911 15.887 -4.728 398 HA VAL 53 HA VAL 53 19.352 14.897 -2.355 399 HB VAL 53 HB VAL 53 20.321 14.909 -5.216 400 HG11 VAL 53 1HG1 VAL 53 22.184 13.621 -4.416 401 HG12 VAL 53 2HG1 VAL 53 22.072 15.100 -3.461 402 HG13 VAL 53 3HG1 VAL 53 21.507 13.570 -2.789 403 HG21 VAL 53 3HG2 VAL 53 20.155 12.295 -4.487 404 HG22 VAL 53 1HG2 VAL 53 18.746 12.974 -3.672 405 HG23 VAL 53 2HG2 VAL 53 18.928 13.156 -5.417 406 H PHE 54 H PHE 54 20.800 16.189 -1.385 407 HA PHE 54 HA PHE 54 21.538 18.698 -2.741 408 HB2 PHE 54 2HB PHE 54 21.145 18.457 0.239 409 HB3 PHE 54 3HB PHE 54 21.299 19.925 -0.722 410 HD1 PHE 54 HD1 PHE 54 19.429 19.599 -2.867 411 HD2 PHE 54 HD2 PHE 54 19.064 18.422 1.207 412 HE1 PHE 54 HE1 PHE 54 16.979 19.736 -3.051 413 HE2 PHE 54 HE2 PHE 54 16.614 18.555 1.029 414 HZ PHE 54 HZ PHE 54 15.568 19.212 -1.101 415 H GLN 55 H GLN 55 23.596 18.301 -3.328 416 HA GLN 55 HA GLN 55 25.447 16.666 -2.099 417 HB2 GLN 55 2HB GLN 55 25.443 18.341 -4.288 418 HB3 GLN 55 3HB GLN 55 26.647 19.078 -3.239 419 HG2 GLN 55 2HG GLN 55 28.111 17.393 -3.506 420 HG3 GLN 55 3HG GLN 55 26.851 16.162 -3.552 421 HE21 GLN 55 1HE2 GLN 55 27.486 15.083 -5.341 422 HE22 GLN 55 2HE2 GLN 55 27.537 15.773 -6.924 423 H HIS 56 H HIS 56 24.943 20.148 -1.595 424 HA HIS 56 HA HIS 56 26.719 20.023 0.740 425 HB2 HIS 56 2HB HIS 56 26.496 21.900 -1.311 426 HB3 HIS 56 3HB HIS 56 25.730 22.672 0.074 427 HD1 HIS 56 HD1 HIS 56 28.878 22.490 -1.468 428 HD2 HIS 56 HD2 HIS 56 27.609 22.287 2.483 429 HE1 HIS 56 HE1 HIS 56 30.902 23.044 -0.083 430 H ASN 57 H ASN 57 26.060 20.868 2.752 431 HA ASN 57 HA ASN 57 23.263 20.449 3.314 432 HB2 ASN 57 2HB ASN 57 25.574 20.081 4.757 433 HB3 ASN 57 3HB ASN 57 24.912 21.544 5.480 434 HD21 ASN 57 1HD2 ASN 57 23.527 21.264 7.065 435 HD22 ASN 57 2HD2 ASN 57 22.589 19.843 7.360 436 H ASN 58 H ASN 58 22.132 22.034 4.809 437 HA ASN 58 HA ASN 58 21.188 24.074 5.153 438 HB2 ASN 58 2HB ASN 58 23.934 24.486 5.382 439 HB3 ASN 58 3HB ASN 58 23.396 25.759 4.290 440 HD21 ASN 58 1HD2 ASN 58 24.216 25.459 7.266 441 HD22 ASN 58 2HD2 ASN 58 23.040 26.427 8.082 442 H PHE 59 H PHE 59 21.335 22.783 2.440 443 HA PHE 59 HA PHE 59 20.741 23.210 0.283 444 HB2 PHE 59 2HB PHE 59 19.266 25.278 1.869 445 HB3 PHE 59 3HB PHE 59 19.176 25.313 0.111 446 HD1 PHE 59 HD1 PHE 59 19.029 22.683 2.760 447 HD2 PHE 59 HD2 PHE 59 17.280 24.362 -0.738 448 HE1 PHE 59 HE1 PHE 59 17.266 20.967 2.822 449 HE2 PHE 59 HE2 PHE 59 15.515 22.650 -0.682 450 HZ PHE 59 HZ PHE 59 15.505 20.950 1.100 451 H LYS 60 H LYS 60 23.255 23.882 0.500 452 HA LYS 60 HA LYS 60 23.537 26.604 -0.578 453 HB2 LYS 60 2HB LYS 60 24.903 26.292 1.365 454 HB3 LYS 60 3HB LYS 60 25.525 24.765 0.754 455 HG2 LYS 60 2HG LYS 60 25.999 27.124 -0.948 456 HG3 LYS 60 3HG LYS 60 26.854 27.089 0.596 457 HD2 LYS 60 2HD LYS 60 27.739 24.867 0.041 458 HD3 LYS 60 3HD LYS 60 26.897 24.924 -1.509 459 HE2 LYS 60 2HE LYS 60 28.395 27.311 -1.274 460 HE3 LYS 60 3HE LYS 60 29.457 25.981 -0.810 461 HZ1 LYS 60 3HZ LYS 60 29.125 24.930 -2.877 462 HZ2 LYS 60 1HZ LYS 60 29.419 26.557 -3.237 463 HZ3 LYS 60 2HZ LYS 60 27.841 25.950 -3.294 464 H GLY 61 H GLY 61 24.313 23.214 -1.152 465 HA2 GLY 61 2HA GLY 61 25.606 23.839 -3.685 466 HA3 GLY 61 3HA GLY 61 25.433 22.244 -2.967 467 H VAL 62 H VAL 62 24.982 22.426 -5.596 468 HA VAL 62 HA VAL 62 22.484 23.122 -6.539 469 HB VAL 62 HB VAL 62 24.342 22.333 -7.969 470 HG11 VAL 62 1HG1 VAL 62 23.548 19.591 -6.991 471 HG12 VAL 62 2HG1 VAL 62 24.718 19.939 -8.266 472 HG13 VAL 62 3HG1 VAL 62 25.050 20.431 -6.605 473 HG21 VAL 62 3HG2 VAL 62 22.965 21.584 -9.651 474 HG22 VAL 62 1HG2 VAL 62 22.041 20.536 -8.575 475 HG23 VAL 62 2HG2 VAL 62 21.783 22.280 -8.543 476 H ARG 63 H ARG 63 20.531 22.013 -6.834 477 HA ARG 63 HA ARG 63 20.111 19.776 -4.963 478 HB2 ARG 63 2HB ARG 63 17.837 20.536 -4.670 479 HB3 ARG 63 3HB ARG 63 18.932 21.877 -4.362 480 HG2 ARG 63 2HG ARG 63 18.496 22.693 -6.664 481 HG3 ARG 63 3HG ARG 63 17.297 21.411 -6.844 482 HD2 ARG 63 2HD ARG 63 15.842 22.377 -5.340 483 HD3 ARG 63 3HD ARG 63 17.123 23.256 -4.507 484 HE ARG 63 HE ARG 63 16.800 24.174 -7.179 485 HH11 ARG 63 1HH1 ARG 63 15.412 24.351 -3.992 486 HH12 ARG 63 2HH1 ARG 63 14.699 25.909 -4.247 487 HH21 ARG 63 1HH2 ARG 63 15.866 26.225 -7.528 488 HH22 ARG 63 2HH2 ARG 63 14.956 26.974 -6.259 489 H ASP 64 H ASP 64 19.401 17.901 -5.759 490 HA ASP 64 HA ASP 64 18.626 17.821 -8.593 491 HB2 ASP 64 2HB ASP 64 20.543 16.371 -7.289 492 HB3 ASP 64 3HB ASP 64 19.171 15.268 -7.236 493 H PHE 65 H PHE 65 17.199 15.722 -8.992 494 HA PHE 65 HA PHE 65 15.200 15.300 -6.942 495 HB2 PHE 65 2HB PHE 65 13.325 15.973 -8.465 496 HB3 PHE 65 3HB PHE 65 14.312 17.317 -7.899 497 HD1 PHE 65 HD2 PHE 65 13.465 15.215 -10.783 498 HD2 PHE 65 HD1 PHE 65 15.648 18.601 -9.410 499 HE1 PHE 65 HE2 PHE 65 13.841 15.913 -13.113 500 HE2 PHE 65 HE1 PHE 65 16.027 19.305 -11.738 501 HZ PHE 65 HZ PHE 65 15.124 17.959 -13.592 502 H TYR 66 H TYR 66 14.230 13.348 -7.127 503 HA TYR 66 HA TYR 66 14.345 11.915 -9.667 504 HB2 TYR 66 2HB TYR 66 15.967 11.283 -7.299 505 HB3 TYR 66 3HB TYR 66 15.067 9.914 -7.942 506 HD1 TYR 66 HD2 TYR 66 15.144 10.113 -10.756 507 HD2 TYR 66 HD1 TYR 66 18.165 11.237 -7.978 508 HE1 TYR 66 HE2 TYR 66 16.853 9.804 -12.498 509 HE2 TYR 66 HE1 TYR 66 19.882 10.932 -9.712 510 HH TYR 66 HH TYR 66 19.026 9.793 -12.964 511 H THR 67 H THR 67 12.505 10.868 -10.039 512 HA THR 67 HA THR 67 10.833 10.083 -7.747 513 HB THR 67 HB THR 67 9.907 12.139 -8.738 514 HG1 THR 67 HG1 THR 67 7.941 11.347 -8.498 515 HG21 THR 67 3HG2 THR 67 10.505 10.764 -11.195 516 HG22 THR 67 1HG2 THR 67 10.048 12.448 -10.942 517 HG23 THR 67 2HG2 THR 67 8.801 11.217 -11.146 518 H SER 68 H SER 68 12.614 8.407 -9.156 519 HA SER 68 HA SER 68 10.803 6.323 -9.933 520 HB2 SER 68 2HB SER 68 11.638 8.004 -11.987 521 HB3 SER 68 3HB SER 68 12.717 6.614 -12.110 522 HG SER 68 HG SER 68 11.064 5.809 -13.155 523 H ASP 69 H ASP 69 12.113 4.347 -10.705 524 HA ASP 69 HA ASP 69 13.859 3.558 -8.719 525 HB2 ASP 69 2HB ASP 69 13.627 2.551 -11.560 526 HB3 ASP 69 3HB ASP 69 14.543 1.734 -10.297 527 H ALA 70 H ALA 70 15.775 4.356 -8.193 528 HA ALA 70 HA ALA 70 17.552 5.299 -10.348 529 HB1 ALA 70 1HB ALA 70 17.544 6.148 -7.454 530 HB2 ALA 70 2HB ALA 70 18.566 6.795 -8.737 531 HB3 ALA 70 3HB ALA 70 16.823 7.055 -8.784 532 H ALA 71 H ALA 71 18.541 3.311 -10.746 533 HA ALA 71 HA ALA 71 19.580 1.594 -8.776 534 HB1 ALA 71 1HB ALA 71 19.430 0.511 -10.772 535 HB2 ALA 71 2HB ALA 71 19.944 1.919 -11.703 536 HB3 ALA 71 3HB ALA 71 21.135 0.958 -10.826 537 H GLU 72 H GLU 72 20.742 4.569 -10.071 538 HA GLU 72 HA GLU 72 23.245 4.223 -8.559 539 HB2 GLU 72 2HB GLU 72 23.087 4.493 -11.299 540 HB3 GLU 72 3HB GLU 72 23.393 6.139 -10.764 541 HG2 GLU 72 2HG GLU 72 25.067 3.941 -9.664 542 HG3 GLU 72 3HG GLU 72 25.360 4.500 -11.310 543 H LEU 73 H LEU 73 23.511 5.660 -6.990 544 HA LEU 73 HA LEU 73 21.674 7.581 -6.265 545 HB2 LEU 73 2HB LEU 73 23.527 6.644 -4.865 546 HB3 LEU 73 3HB LEU 73 24.629 7.735 -5.702 547 HG LEU 73 HG LEU 73 23.809 8.438 -3.397 548 HD11 LEU 73 1HD1 LEU 73 24.373 10.515 -3.982 549 HD12 LEU 73 2HD1 LEU 73 23.038 10.652 -5.125 550 HD13 LEU 73 3HD1 LEU 73 24.542 9.875 -5.617 551 HD21 LEU 73 3HD2 LEU 73 21.394 9.566 -4.661 552 HD22 LEU 73 1HD2 LEU 73 21.655 8.991 -3.014 553 HD23 LEU 73 2HD2 LEU 73 21.354 7.837 -4.314 554 H SER 74 H SER 74 21.415 9.755 -6.594 555 HA SER 74 HA SER 74 21.996 10.866 -9.041 556 HB2 SER 74 2HB SER 74 20.448 11.664 -7.044 557 HB3 SER 74 3HB SER 74 21.830 12.699 -6.686 558 HG SER 74 HG SER 74 21.657 13.583 -8.742 559 H ARG 75 H ARG 75 23.907 11.234 -9.938 560 HA ARG 75 HA ARG 75 26.045 11.934 -10.268 561 HB2 ARG 75 2HB ARG 75 25.672 13.547 -7.740 562 HB3 ARG 75 3HB ARG 75 26.849 13.835 -9.014 563 HG2 ARG 75 2HG ARG 75 25.193 14.555 -10.525 564 HG3 ARG 75 3HG ARG 75 23.890 13.933 -9.509 565 HD2 ARG 75 2HD ARG 75 23.765 16.136 -8.947 566 HD3 ARG 75 3HD ARG 75 24.959 15.612 -7.760 567 HE ARG 75 HE ARG 75 26.508 16.923 -8.807 568 HH11 ARG 75 1HH1 ARG 75 23.831 16.398 -10.970 569 HH12 ARG 75 2HH1 ARG 75 24.415 17.504 -12.170 570 HH21 ARG 75 1HH2 ARG 75 27.287 18.381 -10.379 571 HH22 ARG 75 2HH2 ARG 75 26.381 18.630 -11.833 572 H ASP 76 H ASP 76 28.228 12.307 -8.851 573 HA ASP 76 HA ASP 76 29.024 9.798 -7.998 574 HB2 ASP 76 2HB ASP 76 30.135 12.544 -7.445 575 HB3 ASP 76 3HB ASP 76 30.913 11.090 -6.826 576 H ASN 77 H ASN 77 29.646 9.031 -5.875 577 HA ASN 77 HA ASN 77 27.588 9.142 -4.004 578 HB2 ASN 77 2HB ASN 77 29.322 8.123 -2.431 579 HB3 ASN 77 3HB ASN 77 29.017 7.256 -3.934 580 HD21 ASN 77 1HD2 ASN 77 31.338 8.661 -1.953 581 HD22 ASN 77 2HD2 ASN 77 32.683 8.568 -3.033 582 H ASP 78 H ASP 78 27.000 11.131 -3.276 583 HA ASP 78 HA ASP 78 28.330 12.267 -1.110 584 HB2 ASP 78 2HB ASP 78 29.580 12.995 -3.487 585 HB3 ASP 78 3HB ASP 78 28.561 14.379 -3.099 586 H ALA 79 H ALA 79 26.664 13.013 0.006 587 HA ALA 79 HA ALA 79 24.840 14.927 -1.142 588 HB1 ALA 79 1HB ALA 79 23.486 13.254 -1.886 589 HB2 ALA 79 2HB ALA 79 24.024 12.115 -0.651 590 HB3 ALA 79 3HB ALA 79 22.882 13.393 -0.235 591 H SER 80 H SER 80 25.320 16.379 0.434 592 HA SER 80 HA SER 80 25.733 15.837 3.140 593 HB2 SER 80 2HB SER 80 25.057 18.278 1.563 594 HB3 SER 80 3HB SER 80 24.891 18.355 3.317 595 HG SER 80 HG SER 80 27.072 17.710 3.480 596 H SER 81 H SER 81 22.791 17.094 1.565 597 HA SER 81 HA SER 81 21.206 15.814 3.677 598 HB2 SER 81 2HB SER 81 21.173 18.030 4.450 599 HB3 SER 81 3HB SER 81 21.104 18.696 2.819 600 HG SER 81 HG SER 81 19.086 18.094 4.454 601 H VAL 82 H VAL 82 18.931 15.520 3.088 602 HA VAL 82 HA VAL 82 18.320 15.692 0.240 603 HB VAL 82 HB VAL 82 17.450 13.287 0.344 604 HG11 VAL 82 1HG1 VAL 82 19.235 12.765 -0.891 605 HG12 VAL 82 2HG1 VAL 82 19.848 14.369 -0.485 606 HG13 VAL 82 3HG1 VAL 82 20.337 12.969 0.470 607 HG21 VAL 82 3HG2 VAL 82 17.675 13.046 2.790 608 HG22 VAL 82 1HG2 VAL 82 18.540 11.790 1.903 609 HG23 VAL 82 2HG2 VAL 82 19.428 13.136 2.618 610 H ARG 83 H ARG 83 16.037 15.188 -0.221 611 HA ARG 83 HA ARG 83 14.261 15.363 2.099 612 HB2 ARG 83 2HB ARG 83 14.897 17.611 0.648 613 HB3 ARG 83 3HB ARG 83 13.414 17.071 -0.126 614 HG2 ARG 83 2HG ARG 83 12.194 17.880 1.533 615 HG3 ARG 83 3HG ARG 83 13.117 16.956 2.720 616 HD2 ARG 83 2HD ARG 83 14.640 18.690 3.061 617 HD3 ARG 83 3HD ARG 83 14.206 19.491 1.551 618 HE ARG 83 HE ARG 83 11.919 19.597 2.998 619 HH11 ARG 83 1HH1 ARG 83 15.216 20.512 3.643 620 HH12 ARG 83 2HH1 ARG 83 14.785 21.802 4.717 621 HH21 ARG 83 1HH2 ARG 83 11.339 21.293 4.409 622 HH22 ARG 83 2HH2 ARG 83 12.580 22.245 5.152 623 H VAL 84 H VAL 84 13.056 13.592 1.896 624 HA VAL 84 HA VAL 84 12.094 12.837 -0.783 625 HB VAL 84 HB VAL 84 13.339 11.036 0.141 626 HG11 VAL 84 1HG1 VAL 84 12.262 11.993 2.633 627 HG12 VAL 84 2HG1 VAL 84 12.025 10.251 2.479 628 HG13 VAL 84 3HG1 VAL 84 13.644 10.937 2.340 629 HG21 VAL 84 3HG2 VAL 84 10.620 10.101 0.885 630 HG22 VAL 84 1HG2 VAL 84 10.867 10.704 -0.754 631 HG23 VAL 84 2HG2 VAL 84 11.829 9.351 -0.158 632 H SER 85 H SER 85 9.939 12.555 -1.168 633 HA SER 85 HA SER 85 8.023 12.655 1.002 634 HB2 SER 85 2HB SER 85 8.064 14.813 -1.122 635 HB3 SER 85 3HB SER 85 6.814 14.602 0.104 636 HG SER 85 HG SER 85 8.505 16.184 0.587 637 H LYS 86 H LYS 86 5.723 12.610 0.058 638 HA LYS 86 HA LYS 86 5.716 10.610 -2.071 639 HB2 LYS 86 2HB LYS 86 4.206 11.010 0.310 640 HB3 LYS 86 3HB LYS 86 3.097 11.107 -1.052 641 HG2 LYS 86 2HG LYS 86 3.174 8.913 -1.389 642 HG3 LYS 86 3HG LYS 86 4.937 8.884 -1.309 643 HD2 LYS 86 2HD LYS 86 4.560 7.680 0.565 644 HD3 LYS 86 3HD LYS 86 4.347 9.274 1.294 645 HE2 LYS 86 2HE LYS 86 1.873 8.553 0.145 646 HE3 LYS 86 3HE LYS 86 2.458 7.142 1.023 647 HZ1 LYS 86 3HZ LYS 86 1.693 9.777 2.037 648 HZ2 LYS 86 1HZ LYS 86 2.936 8.956 2.841 649 HZ3 LYS 86 2HZ LYS 86 1.410 8.243 2.693 650 H MET 87 H MET 87 4.862 10.932 -4.048 651 HA MET 87 HA MET 87 3.625 13.556 -4.569 652 HB2 MET 87 2HB MET 87 5.777 13.370 -5.670 653 HB3 MET 87 3HB MET 87 5.316 11.832 -6.386 654 HG2 MET 87 2HG MET 87 3.345 13.676 -7.149 655 HG3 MET 87 3HG MET 87 4.896 14.485 -7.360 656 HE1 MET 87 3HE MET 87 5.157 14.867 -9.411 657 HE2 MET 87 1HE MET 87 5.810 13.725 -10.586 658 HE3 MET 87 2HE MET 87 4.087 14.098 -10.583 659 H GLU 88 H GLU 88 3.831 10.586 -6.505 660 HA GLU 88 HA GLU 88 2.233 9.438 -7.659 661 HB2 GLU 88 2HB GLU 88 1.816 8.800 -5.231 662 HB3 GLU 88 3HB GLU 88 0.481 9.943 -5.258 663 HG2 GLU 88 2HG GLU 88 -0.526 8.675 -7.117 664 HG3 GLU 88 3HG GLU 88 0.780 7.498 -6.987 665 H THR 89 H THR 89 2.181 11.463 -9.029 666 HA THR 89 HA THR 89 -0.602 12.326 -9.265 667 HB THR 89 HB THR 89 0.170 14.678 -9.752 668 HG1 THR 89 HG1 THR 89 2.259 14.969 -9.777 669 HG21 THR 89 3HG2 THR 89 0.419 15.288 -7.350 670 HG22 THR 89 1HG2 THR 89 0.567 13.572 -6.970 671 HG23 THR 89 2HG2 THR 89 -0.930 14.196 -7.662 672 H THR 90 H THR 90 -1.244 11.957 -11.274 673 HA THR 90 HA THR 90 0.436 12.656 -13.526 674 HB THR 90 HB THR 90 -0.533 10.038 -14.131 675 HG1 THR 90 HG1 THR 90 1.224 10.084 -11.890 676 HG21 THR 90 3HG2 THR 90 2.354 10.637 -13.667 677 HG22 THR 90 1HG2 THR 90 1.498 11.496 -14.946 678 HG23 THR 90 2HG2 THR 90 1.589 9.735 -14.974 679 H ASN 91 H ASN 91 -0.949 13.887 -14.624 680 HA ASN 91 HA ASN 91 -2.784 14.563 -15.784 681 HB2 ASN 91 2HB ASN 91 -2.686 11.688 -16.102 682 HB3 ASN 91 3HB ASN 91 -4.352 12.260 -16.114 683 HD21 ASN 91 1HD2 ASN 91 -1.319 13.664 -17.297 684 HD22 ASN 91 2HD2 ASN 91 -1.856 13.880 -18.925 Start of MODEL 10 1 H GLY 1 H GLY 1 0.887 0.706 -4.394 2 HA2 GLY 1 2HA GLY 1 0.873 -1.297 -3.038 3 HA3 GLY 1 3HA GLY 1 2.399 -1.751 -3.783 4 H GLU 2 H GLU 2 4.034 0.292 -3.506 5 HA GLU 2 HA GLU 2 4.222 0.614 -0.597 6 HB2 GLU 2 2HB GLU 2 6.126 0.070 -2.689 7 HB3 GLU 2 3HB GLU 2 6.592 1.525 -1.818 8 HG2 GLU 2 2HG GLU 2 7.244 0.372 -0.037 9 HG3 GLU 2 3HG GLU 2 5.779 -0.608 -0.032 10 H LYS 3 H LYS 3 5.389 2.694 0.082 11 HA LYS 3 HA LYS 3 4.774 5.003 -1.569 12 HB2 LYS 3 2HB LYS 3 3.582 6.092 0.402 13 HB3 LYS 3 3HB LYS 3 2.684 4.863 -0.480 14 HG2 LYS 3 2HG LYS 3 4.232 3.858 1.800 15 HG3 LYS 3 3HG LYS 3 2.920 4.964 2.213 16 HD2 LYS 3 2HD LYS 3 2.317 2.825 0.252 17 HD3 LYS 3 3HD LYS 3 2.558 2.332 1.929 18 HE2 LYS 3 2HE LYS 3 0.406 2.853 2.225 19 HE3 LYS 3 3HE LYS 3 0.932 4.535 2.165 20 HZ1 LYS 3 3HZ LYS 3 0.665 3.791 -0.456 21 HZ2 LYS 3 1HZ LYS 3 -0.415 4.745 0.431 22 HZ3 LYS 3 2HZ LYS 3 -0.664 3.076 0.309 23 H THR 4 H THR 4 7.246 4.015 -0.873 24 HA THR 4 HA THR 4 8.366 6.281 0.505 25 HB THR 4 HB THR 4 9.727 4.551 1.989 26 HG1 THR 4 HG1 THR 4 8.765 2.680 2.231 27 HG21 THR 4 3HG2 THR 4 8.746 5.689 3.639 28 HG22 THR 4 1HG2 THR 4 7.187 4.935 3.310 29 HG23 THR 4 2HG2 THR 4 7.668 6.386 2.430 30 H VAL 5 H VAL 5 10.473 6.653 -0.058 31 HA VAL 5 HA VAL 5 11.550 4.935 -2.157 32 HB VAL 5 HB VAL 5 13.205 6.781 -2.477 33 HG11 VAL 5 1HG1 VAL 5 10.865 6.559 -3.573 34 HG12 VAL 5 2HG1 VAL 5 10.455 7.955 -2.573 35 HG13 VAL 5 3HG1 VAL 5 11.763 8.066 -3.752 36 HG21 VAL 5 3HG2 VAL 5 13.467 8.362 -0.939 37 HG22 VAL 5 1HG2 VAL 5 11.779 8.843 -1.117 38 HG23 VAL 5 2HG2 VAL 5 12.223 7.594 0.046 39 H LYS 6 H LYS 6 13.265 3.646 -1.910 40 HA LYS 6 HA LYS 6 14.581 3.597 0.704 41 HB2 LYS 6 2HB LYS 6 14.154 1.604 -1.475 42 HB3 LYS 6 3HB LYS 6 15.563 1.413 -0.439 43 HG2 LYS 6 2HG LYS 6 14.066 1.430 1.530 44 HG3 LYS 6 3HG LYS 6 12.683 1.497 0.435 45 HD2 LYS 6 2HD LYS 6 13.999 -0.614 -0.598 46 HD3 LYS 6 3HD LYS 6 14.480 -0.752 1.095 47 HE2 LYS 6 2HE LYS 6 11.613 -0.395 0.270 48 HE3 LYS 6 3HE LYS 6 12.367 -1.986 0.367 49 HZ1 LYS 6 3HZ LYS 6 12.955 -1.409 2.711 50 HZ2 LYS 6 1HZ LYS 6 11.297 -1.585 2.422 51 HZ3 LYS 6 2HZ LYS 6 11.970 -0.041 2.569 52 H LEU 7 H LEU 7 16.926 3.188 0.773 53 HA LEU 7 HA LEU 7 18.356 4.359 -1.515 54 HB2 LEU 7 2HB LEU 7 18.190 5.312 1.234 55 HB3 LEU 7 3HB LEU 7 19.849 5.093 0.680 56 HG LEU 7 HG LEU 7 19.168 6.529 -1.331 57 HD11 LEU 7 1HD1 LEU 7 17.310 8.017 -1.029 58 HD12 LEU 7 2HD1 LEU 7 16.961 7.331 0.557 59 HD13 LEU 7 3HD1 LEU 7 16.732 6.356 -0.894 60 HD21 LEU 7 3HD2 LEU 7 20.215 7.132 1.173 61 HD22 LEU 7 1HD2 LEU 7 18.999 8.377 0.884 62 HD23 LEU 7 2HD2 LEU 7 20.301 8.128 -0.280 63 H TYR 8 H TYR 8 19.988 3.149 -2.214 64 HA TYR 8 HA TYR 8 21.044 1.066 -0.418 65 HB2 TYR 8 2HB TYR 8 20.168 1.009 -3.210 66 HB3 TYR 8 3HB TYR 8 21.759 0.295 -2.970 67 HD1 TYR 8 HD1 TYR 8 21.671 -1.110 -0.517 68 HD2 TYR 8 HD2 TYR 8 18.547 -0.618 -3.363 69 HE1 TYR 8 HE1 TYR 8 20.623 -3.186 0.284 70 HE2 TYR 8 HE2 TYR 8 17.489 -2.692 -2.569 71 HH TYR 8 HH TYR 8 18.926 -4.595 0.067 72 H GLU 9 H GLU 9 23.262 0.688 -0.360 73 HA GLU 9 HA GLU 9 24.885 2.991 -1.056 74 HB2 GLU 9 2HB GLU 9 26.554 2.073 0.362 75 HB3 GLU 9 3HB GLU 9 25.017 1.807 1.172 76 HG2 GLU 9 2HG GLU 9 25.229 -0.498 -0.193 77 HG3 GLU 9 3HG GLU 9 26.933 -0.127 0.058 78 H ASP 10 H ASP 10 24.397 -0.299 -2.085 79 HA ASP 10 HA ASP 10 26.785 -0.391 -3.701 80 HB2 ASP 10 2HB ASP 10 25.372 -2.347 -2.579 81 HB3 ASP 10 3HB ASP 10 24.542 -2.306 -4.132 82 H THR 11 H THR 11 26.275 -1.300 -6.075 83 HA THR 11 HA THR 11 24.458 0.663 -7.315 84 HB THR 11 HB THR 11 25.924 0.700 -9.264 85 HG1 THR 11 HG1 THR 11 26.950 -1.216 -9.350 86 HG21 THR 11 3HG2 THR 11 27.153 1.278 -6.588 87 HG22 THR 11 1HG2 THR 11 26.484 2.405 -7.767 88 HG23 THR 11 2HG2 THR 11 28.027 1.612 -8.082 89 H HIS 12 H HIS 12 23.419 -1.754 -6.529 90 HA HIS 12 HA HIS 12 22.230 -2.710 -8.869 91 HB2 HIS 12 2HB HIS 12 24.762 -3.734 -8.679 92 HB3 HIS 12 3HB HIS 12 23.811 -4.988 -7.890 93 HD1 HIS 12 HD1 HIS 12 23.460 -6.777 -9.556 94 HD2 HIS 12 HD2 HIS 12 23.025 -3.000 -11.233 95 HE1 HIS 12 HE1 HIS 12 22.765 -7.176 -11.940 96 H PHE 13 H PHE 13 21.552 -1.924 -6.195 97 HA PHE 13 HA PHE 13 20.080 -2.481 -4.554 98 HB2 PHE 13 2HB PHE 13 19.510 -4.987 -6.140 99 HB3 PHE 13 3HB PHE 13 18.452 -4.186 -4.983 100 HD1 PHE 13 HD1 PHE 13 18.267 -1.496 -5.673 101 HD2 PHE 13 HD2 PHE 13 18.759 -4.816 -8.290 102 HE1 PHE 13 HE1 PHE 13 17.247 -0.202 -7.500 103 HE2 PHE 13 HE2 PHE 13 17.740 -3.527 -10.122 104 HZ PHE 13 HZ PHE 13 16.983 -1.217 -9.728 105 H LYS 14 H LYS 14 22.818 -3.262 -4.314 106 HA LYS 14 HA LYS 14 22.656 -5.811 -2.868 107 HB2 LYS 14 2HB LYS 14 24.612 -4.689 -4.572 108 HB3 LYS 14 3HB LYS 14 25.314 -4.722 -2.960 109 HG2 LYS 14 2HG LYS 14 25.574 -6.932 -3.006 110 HG3 LYS 14 3HG LYS 14 23.948 -7.197 -3.638 111 HD2 LYS 14 2HD LYS 14 25.439 -8.005 -5.289 112 HD3 LYS 14 3HD LYS 14 24.840 -6.456 -5.886 113 HE2 LYS 14 2HE LYS 14 26.953 -5.811 -6.130 114 HE3 LYS 14 3HE LYS 14 27.113 -5.848 -4.375 115 HZ1 LYS 14 3HZ LYS 14 28.773 -7.266 -4.975 116 HZ2 LYS 14 1HZ LYS 14 27.977 -7.819 -6.362 117 HZ3 LYS 14 2HZ LYS 14 27.508 -8.381 -4.837 118 H GLY 15 H GLY 15 23.828 -5.966 -0.796 119 HA2 GLY 15 2HA GLY 15 24.480 -5.167 1.281 120 HA3 GLY 15 3HA GLY 15 24.376 -3.530 0.648 121 H TYR 16 H TYR 16 23.209 -2.575 2.242 122 HA TYR 16 HA TYR 16 20.564 -3.730 2.834 123 HB2 TYR 16 2HB TYR 16 22.382 -3.354 4.690 124 HB3 TYR 16 3HB TYR 16 21.854 -1.678 4.594 125 HD1 TYR 16 HD1 TYR 16 20.877 -5.092 5.518 126 HD2 TYR 16 HD2 TYR 16 19.663 -1.016 5.378 127 HE1 TYR 16 HE1 TYR 16 18.994 -5.608 7.013 128 HE2 TYR 16 HE2 TYR 16 17.777 -1.521 6.874 129 HH TYR 16 HH TYR 16 17.121 -3.176 8.515 130 H SER 17 H SER 17 18.755 -2.438 2.742 131 HA SER 17 HA SER 17 19.136 0.164 1.418 132 HB2 SER 17 2HB SER 17 16.495 -0.441 1.030 133 HB3 SER 17 3HB SER 17 17.785 -0.811 -0.114 134 HG SER 17 HG SER 17 16.210 -2.503 1.200 135 H VAL 18 H VAL 18 18.099 1.976 2.168 136 HA VAL 18 HA VAL 18 16.711 1.695 4.755 137 HB VAL 18 HB VAL 18 18.856 2.770 5.088 138 HG11 VAL 18 1HG1 VAL 18 17.983 4.932 3.184 139 HG12 VAL 18 2HG1 VAL 18 19.558 4.736 3.957 140 HG13 VAL 18 3HG1 VAL 18 19.034 3.596 2.716 141 HG21 VAL 18 3HG2 VAL 18 16.472 3.713 5.978 142 HG22 VAL 18 1HG2 VAL 18 18.043 4.303 6.519 143 HG23 VAL 18 2HG2 VAL 18 17.164 5.166 5.258 144 H GLU 19 H GLU 19 14.667 2.345 4.775 145 HA GLU 19 HA GLU 19 13.678 3.962 2.543 146 HB2 GLU 19 2HB GLU 19 11.489 3.169 3.094 147 HB3 GLU 19 3HB GLU 19 12.574 1.785 3.110 148 HG2 GLU 19 2HG GLU 19 12.541 2.831 5.726 149 HG3 GLU 19 3HG GLU 19 10.869 2.760 5.174 150 H LEU 20 H LEU 20 12.466 5.838 2.850 151 HA LEU 20 HA LEU 20 12.223 6.910 5.550 152 HB2 LEU 20 2HB LEU 20 13.119 9.107 4.154 153 HB3 LEU 20 3HB LEU 20 14.034 8.178 5.339 154 HG LEU 20 HG LEU 20 14.089 7.343 2.472 155 HD11 LEU 20 1HD1 LEU 20 16.205 9.198 3.318 156 HD12 LEU 20 2HD1 LEU 20 14.624 9.931 3.045 157 HD13 LEU 20 3HD1 LEU 20 15.406 9.016 1.756 158 HD21 LEU 20 3HD2 LEU 20 16.521 7.366 4.095 159 HD22 LEU 20 1HD2 LEU 20 15.815 6.075 3.122 160 HD23 LEU 20 2HD2 LEU 20 15.226 6.368 4.759 161 HA PRO 21 HA PRO 21 8.368 7.986 3.558 162 HB2 PRO 21 2HB PRO 21 7.177 8.930 5.808 163 HB3 PRO 21 3HB PRO 21 7.337 7.205 5.457 164 HG2 PRO 21 2HG PRO 21 9.008 8.939 7.235 165 HG3 PRO 21 3HG PRO 21 8.399 7.299 7.523 166 HD2 PRO 21 2HD PRO 21 10.944 7.792 6.740 167 HD3 PRO 21 3HD PRO 21 10.066 6.324 6.265 168 H VAL 22 H VAL 22 6.975 9.997 3.555 169 HA VAL 22 HA VAL 22 8.178 12.175 2.558 170 HB VAL 22 HB VAL 22 5.761 11.997 2.629 171 HG11 VAL 22 1HG1 VAL 22 4.591 11.638 4.487 172 HG12 VAL 22 2HG1 VAL 22 6.129 11.484 5.337 173 HG13 VAL 22 3HG1 VAL 22 5.301 13.041 5.283 174 HG21 VAL 22 3HG2 VAL 22 7.105 14.278 2.644 175 HG22 VAL 22 1HG2 VAL 22 5.341 14.241 2.640 176 HG23 VAL 22 2HG2 VAL 22 6.214 14.511 4.148 177 H GLY 23 H GLY 23 9.567 13.683 3.213 178 HA2 GLY 23 2HA GLY 23 9.680 15.320 5.277 179 HA3 GLY 23 3HA GLY 23 10.216 13.840 6.060 180 H ASP 24 H ASP 24 11.771 16.175 5.894 181 HA ASP 24 HA ASP 24 13.810 15.517 3.887 182 HB2 ASP 24 2HB ASP 24 14.761 17.790 4.799 183 HB3 ASP 24 3HB ASP 24 13.412 17.784 3.667 184 H TYR 25 H TYR 25 15.956 15.166 4.454 185 HA TYR 25 HA TYR 25 16.497 14.802 7.324 186 HB2 TYR 25 2HB TYR 25 17.525 12.929 5.194 187 HB3 TYR 25 3HB TYR 25 17.577 12.715 6.941 188 HD1 TYR 25 HD2 TYR 25 15.222 12.946 4.071 189 HD2 TYR 25 HD1 TYR 25 15.869 11.556 8.040 190 HE1 TYR 25 HE2 TYR 25 13.102 11.703 3.975 191 HE2 TYR 25 HE1 TYR 25 13.751 10.308 7.954 192 HH TYR 25 HH TYR 25 11.449 10.763 5.462 193 H ASN 26 H ASN 26 18.480 15.432 8.030 194 HA ASN 26 HA ASN 26 20.149 16.854 6.094 195 HB2 ASN 26 2HB ASN 26 20.477 16.887 9.091 196 HB3 ASN 26 3HB ASN 26 21.041 18.075 7.920 197 HD21 ASN 26 1HD2 ASN 26 18.343 16.892 9.736 198 HD22 ASN 26 2HD2 ASN 26 17.276 18.211 9.405 199 H LEU 27 H LEU 27 22.579 16.859 7.344 200 HA LEU 27 HA LEU 27 23.745 14.475 6.461 201 HB2 LEU 27 2HB LEU 27 25.142 16.344 6.542 202 HB3 LEU 27 3HB LEU 27 24.697 16.716 8.206 203 HG LEU 27 HG LEU 27 26.026 14.143 7.974 204 HD11 LEU 27 1HD1 LEU 27 27.568 16.595 7.137 205 HD12 LEU 27 2HD1 LEU 27 27.136 15.244 6.089 206 HD13 LEU 27 3HD1 LEU 27 28.238 14.992 7.443 207 HD21 LEU 27 3HD2 LEU 27 27.347 16.258 9.466 208 HD22 LEU 27 1HD2 LEU 27 26.700 14.715 10.021 209 HD23 LEU 27 2HD2 LEU 27 25.635 16.112 9.866 210 H SER 28 H SER 28 23.062 15.587 9.770 211 HA SER 28 HA SER 28 24.018 13.243 11.037 212 HB2 SER 28 2HB SER 28 22.130 15.412 11.968 213 HB3 SER 28 3HB SER 28 22.682 14.100 13.008 214 HG SER 28 HG SER 28 23.913 16.369 12.493 215 H SER 29 H SER 29 20.886 14.202 9.777 216 HA SER 29 HA SER 29 19.401 12.079 10.940 217 HB2 SER 29 2HB SER 29 18.692 13.528 8.388 218 HB3 SER 29 3HB SER 29 17.597 12.778 9.549 219 HG SER 29 HG SER 29 17.534 14.649 10.480 220 H LEU 30 H LEU 30 21.312 12.399 8.042 221 HA LEU 30 HA LEU 30 20.334 10.223 6.579 222 HB2 LEU 30 2HB LEU 30 22.852 11.782 6.642 223 HB3 LEU 30 3HB LEU 30 22.899 10.215 5.836 224 HG LEU 30 HG LEU 30 20.694 12.015 5.046 225 HD11 LEU 30 1HD1 LEU 30 22.200 13.251 3.499 226 HD12 LEU 30 2HD1 LEU 30 23.575 12.598 4.389 227 HD13 LEU 30 3HD1 LEU 30 22.425 13.660 5.200 228 HD21 LEU 30 3HD2 LEU 30 20.732 10.772 3.180 229 HD22 LEU 30 1HD2 LEU 30 21.714 9.662 4.137 230 HD23 LEU 30 2HD2 LEU 30 22.491 10.823 3.060 231 H ILE 31 H ILE 31 23.059 10.381 8.865 232 HA ILE 31 HA ILE 31 23.566 7.572 8.746 233 HB ILE 31 HB ILE 31 24.469 9.613 10.780 234 HG12 ILE 31 2HG1 ILE 31 26.661 8.925 9.308 235 HG13 ILE 31 3HG1 ILE 31 25.395 8.847 8.088 236 HG21 ILE 31 1HG2 ILE 31 25.005 7.778 11.958 237 HG22 ILE 31 2HG2 ILE 31 24.857 6.715 10.559 238 HG23 ILE 31 3HG2 ILE 31 26.336 7.643 10.809 239 HD11 ILE 31 3HD1 ILE 31 25.296 11.238 9.766 240 HD12 ILE 31 1HD1 ILE 31 26.758 11.086 8.792 241 HD13 ILE 31 2HD1 ILE 31 25.174 11.067 8.015 242 H SER 32 H SER 32 21.875 9.705 11.006 243 HA SER 32 HA SER 32 21.364 7.877 13.040 244 HB2 SER 32 2HB SER 32 20.918 10.348 13.121 245 HB3 SER 32 3HB SER 32 19.483 10.068 12.135 246 HG SER 32 HG SER 32 19.171 10.124 14.487 247 H ARG 33 H ARG 33 19.945 8.186 9.894 248 HA ARG 33 HA ARG 33 17.706 6.449 10.549 249 HB2 ARG 33 2HB ARG 33 17.824 8.494 8.850 250 HB3 ARG 33 3HB ARG 33 18.328 7.225 7.742 251 HG2 ARG 33 2HG ARG 33 16.248 6.491 7.511 252 HG3 ARG 33 3HG ARG 33 16.008 6.425 9.258 253 HD2 ARG 33 2HD ARG 33 15.658 8.920 9.187 254 HD3 ARG 33 3HD ARG 33 15.633 8.786 7.429 255 HE ARG 33 HE ARG 33 13.505 7.977 7.570 256 HH11 ARG 33 1HH1 ARG 33 15.036 7.650 10.680 257 HH12 ARG 33 2HH1 ARG 33 13.593 7.119 11.480 258 HH21 ARG 33 1HH2 ARG 33 11.599 7.278 8.612 259 HH22 ARG 33 2HH2 ARG 33 11.640 6.907 10.302 260 H GLY 34 H GLY 34 20.896 6.221 9.306 261 HA2 GLY 34 2HA GLY 34 21.853 3.956 9.341 262 HA3 GLY 34 3HA GLY 34 20.377 3.409 8.559 263 H ALA 35 H ALA 35 22.303 6.278 7.799 264 HA ALA 35 HA ALA 35 23.338 5.029 5.387 265 HB1 ALA 35 1HB ALA 35 20.946 6.329 5.191 266 HB2 ALA 35 2HB ALA 35 22.093 7.603 4.775 267 HB3 ALA 35 3HB ALA 35 22.085 6.092 3.866 268 H LEU 36 H LEU 36 25.403 5.585 5.268 269 HA LEU 36 HA LEU 36 26.464 7.776 6.780 270 HB2 LEU 36 2HB LEU 36 27.538 5.485 6.163 271 HB3 LEU 36 3HB LEU 36 28.007 6.312 4.679 272 HG LEU 36 HG LEU 36 29.811 6.279 6.341 273 HD11 LEU 36 1HD1 LEU 36 29.043 9.131 6.296 274 HD12 LEU 36 2HD1 LEU 36 29.127 8.307 4.739 275 HD13 LEU 36 3HD1 LEU 36 30.541 8.347 5.793 276 HD21 LEU 36 3HD2 LEU 36 29.661 7.359 8.430 277 HD22 LEU 36 1HD2 LEU 36 28.212 6.362 8.307 278 HD23 LEU 36 2HD2 LEU 36 28.112 8.100 8.026 279 H ASN 37 H ASN 37 26.618 9.816 6.148 280 HA ASN 37 HA ASN 37 25.713 10.833 3.749 281 HB2 ASN 37 2HB ASN 37 26.912 12.909 4.344 282 HB3 ASN 37 3HB ASN 37 26.046 12.232 5.720 283 HD21 ASN 37 1HD2 ASN 37 29.125 12.971 4.355 284 HD22 ASN 37 2HD2 ASN 37 30.070 12.614 5.756 285 H ASP 38 H ASP 38 26.514 11.055 1.752 286 HA ASP 38 HA ASP 38 27.913 10.920 -0.036 287 HB2 ASP 38 2HB ASP 38 30.304 11.156 1.758 288 HB3 ASP 38 3HB ASP 38 30.046 11.833 0.152 289 H ASP 39 H ASP 39 27.302 8.696 -0.254 290 HA ASP 39 HA ASP 39 29.454 6.940 -0.554 291 HB2 ASP 39 2HB ASP 39 29.643 6.607 1.759 292 HB3 ASP 39 3HB ASP 39 27.898 6.641 1.999 293 H LEU 40 H LEU 40 26.010 7.351 -0.055 294 HA LEU 40 HA LEU 40 24.996 4.977 -1.004 295 HB2 LEU 40 2HB LEU 40 24.049 7.800 -1.108 296 HB3 LEU 40 3HB LEU 40 23.162 6.572 -2.008 297 HG LEU 40 HG LEU 40 22.159 7.027 0.182 298 HD11 LEU 40 1HD1 LEU 40 23.394 4.283 0.009 299 HD12 LEU 40 2HD1 LEU 40 21.944 4.809 -0.847 300 HD13 LEU 40 3HD1 LEU 40 21.947 4.728 0.914 301 HD21 LEU 40 3HD2 LEU 40 23.248 6.733 2.206 302 HD22 LEU 40 1HD2 LEU 40 24.488 7.494 1.209 303 HD23 LEU 40 2HD2 LEU 40 24.530 5.754 1.491 304 H SER 41 H SER 41 24.614 4.065 -2.974 305 HA SER 41 HA SER 41 25.525 5.529 -5.355 306 HB2 SER 41 2HB SER 41 26.112 2.599 -4.932 307 HB3 SER 41 3HB SER 41 26.773 3.674 -6.163 308 HG SER 41 HG SER 41 28.066 4.600 -4.686 309 H SER 42 H SER 42 22.985 4.214 -3.901 310 HA SER 42 HA SER 42 21.608 3.729 -6.409 311 HB2 SER 42 2HB SER 42 22.213 1.592 -4.429 312 HB3 SER 42 3HB SER 42 20.598 1.598 -5.138 313 HG SER 42 HG SER 42 22.821 1.872 -6.822 314 H ALA 43 H ALA 43 19.316 3.814 -6.222 315 HA ALA 43 HA ALA 43 18.143 4.431 -3.646 316 HB1 ALA 43 1HB ALA 43 17.611 6.510 -5.687 317 HB2 ALA 43 2HB ALA 43 17.684 6.636 -3.929 318 HB3 ALA 43 3HB ALA 43 19.173 6.559 -4.870 319 H ARG 44 H ARG 44 16.271 3.391 -3.591 320 HA ARG 44 HA ARG 44 14.964 2.642 -6.087 321 HB2 ARG 44 2HB ARG 44 15.303 1.392 -3.584 322 HB3 ARG 44 3HB ARG 44 13.584 1.732 -3.729 323 HG2 ARG 44 2HG ARG 44 13.663 0.623 -5.984 324 HG3 ARG 44 3HG ARG 44 15.302 0.106 -5.582 325 HD2 ARG 44 2HD ARG 44 14.583 -1.310 -3.901 326 HD3 ARG 44 3HD ARG 44 13.061 -0.446 -3.686 327 HE ARG 44 HE ARG 44 12.131 -1.831 -5.236 328 HH11 ARG 44 1HH1 ARG 44 15.584 -1.837 -5.680 329 HH12 ARG 44 2HH1 ARG 44 15.555 -3.056 -6.911 330 HH21 ARG 44 1HH2 ARG 44 12.080 -3.437 -6.856 331 HH22 ARG 44 2HH2 ARG 44 13.561 -3.965 -7.579 332 H VAL 45 H VAL 45 13.396 3.849 -6.901 333 HA VAL 45 HA VAL 45 11.352 4.973 -5.185 334 HB VAL 45 HB VAL 45 12.869 6.810 -5.094 335 HG11 VAL 45 1HG1 VAL 45 13.612 5.930 -7.700 336 HG12 VAL 45 2HG1 VAL 45 13.164 7.635 -7.782 337 HG13 VAL 45 3HG1 VAL 45 14.415 7.103 -6.658 338 HG21 VAL 45 3HG2 VAL 45 11.048 7.677 -7.300 339 HG22 VAL 45 1HG2 VAL 45 10.376 7.151 -5.757 340 HG23 VAL 45 2HG2 VAL 45 11.488 8.519 -5.815 341 HA PRO 46 HA PRO 46 9.743 3.420 -9.202 342 HB2 PRO 46 2HB PRO 46 7.485 2.366 -8.126 343 HB3 PRO 46 3HB PRO 46 9.024 1.498 -8.169 344 HG2 PRO 46 2HG PRO 46 7.771 3.021 -5.917 345 HG3 PRO 46 3HG PRO 46 8.597 1.452 -5.884 346 HD2 PRO 46 2HD PRO 46 9.805 3.751 -5.117 347 HD3 PRO 46 3HD PRO 46 10.692 2.413 -5.877 348 H SER 47 H SER 47 7.566 3.823 -10.204 349 HA SER 47 HA SER 47 6.940 6.506 -10.261 350 HB2 SER 47 2HB SER 47 5.600 4.028 -11.192 351 HB3 SER 47 3HB SER 47 4.594 5.472 -11.090 352 HG SER 47 HG SER 47 5.881 6.482 -12.548 353 H GLY 48 H GLY 48 5.944 7.837 -8.905 354 HA2 GLY 48 2HA GLY 48 3.921 8.337 -7.633 355 HA3 GLY 48 3HA GLY 48 3.985 6.694 -7.013 356 H LEU 49 H LEU 49 6.706 8.918 -7.316 357 HA LEU 49 HA LEU 49 6.705 9.837 -4.653 358 HB2 LEU 49 2HB LEU 49 7.619 7.177 -4.984 359 HB3 LEU 49 3HB LEU 49 9.025 8.181 -4.635 360 HG LEU 49 HG LEU 49 6.546 8.052 -2.920 361 HD11 LEU 49 1HD1 LEU 49 8.857 6.300 -3.105 362 HD12 LEU 49 2HD1 LEU 49 7.334 6.081 -2.245 363 HD13 LEU 49 3HD1 LEU 49 8.648 6.987 -1.494 364 HD21 LEU 49 3HD2 LEU 49 8.984 8.947 -1.665 365 HD22 LEU 49 1HD2 LEU 49 7.407 9.733 -1.749 366 HD23 LEU 49 2HD2 LEU 49 8.575 9.959 -3.051 367 H ARG 50 H ARG 50 8.059 11.529 -4.482 368 HA ARG 50 HA ARG 50 10.168 11.805 -6.522 369 HB2 ARG 50 2HB ARG 50 8.041 13.299 -6.692 370 HB3 ARG 50 3HB ARG 50 8.756 14.176 -5.345 371 HG2 ARG 50 2HG ARG 50 10.765 14.585 -6.687 372 HG3 ARG 50 3HG ARG 50 10.022 13.730 -8.040 373 HD2 ARG 50 2HD ARG 50 8.224 15.372 -8.108 374 HD3 ARG 50 3HD ARG 50 8.923 16.211 -6.724 375 HE ARG 50 HE ARG 50 10.943 16.235 -8.501 376 HH11 ARG 50 1HH1 ARG 50 7.580 17.101 -8.749 377 HH12 ARG 50 2HH1 ARG 50 7.847 18.314 -9.957 378 HH21 ARG 50 1HH2 ARG 50 11.307 17.829 -10.092 379 HH22 ARG 50 2HH2 ARG 50 9.967 18.726 -10.721 380 H LEU 51 H LEU 51 12.145 12.483 -5.851 381 HA LEU 51 HA LEU 51 12.461 13.424 -3.099 382 HB2 LEU 51 2HB LEU 51 14.460 11.889 -2.890 383 HB3 LEU 51 3HB LEU 51 12.869 11.138 -2.787 384 HG LEU 51 HG LEU 51 13.219 10.619 -5.302 385 HD11 LEU 51 1HD1 LEU 51 15.930 11.491 -4.426 386 HD12 LEU 51 2HD1 LEU 51 15.103 11.748 -5.962 387 HD13 LEU 51 3HD1 LEU 51 15.781 10.165 -5.580 388 HD21 LEU 51 3HD2 LEU 51 13.358 9.112 -3.152 389 HD22 LEU 51 1HD2 LEU 51 15.072 9.065 -3.564 390 HD23 LEU 51 2HD2 LEU 51 13.871 8.500 -4.725 391 H GLU 52 H GLU 52 14.486 14.494 -2.698 392 HA GLU 52 HA GLU 52 15.965 15.264 -5.119 393 HB2 GLU 52 2HB GLU 52 15.099 17.194 -2.961 394 HB3 GLU 52 3HB GLU 52 15.996 17.587 -4.421 395 HG2 GLU 52 2HG GLU 52 14.105 17.059 -5.796 396 HG3 GLU 52 3HG GLU 52 13.205 16.465 -4.401 397 H VAL 53 H VAL 53 18.128 15.338 -4.894 398 HA VAL 53 HA VAL 53 19.215 14.768 -2.224 399 HB VAL 53 HB VAL 53 20.501 14.374 -4.930 400 HG11 VAL 53 1HG1 VAL 53 22.253 14.723 -3.412 401 HG12 VAL 53 2HG1 VAL 53 21.436 13.828 -2.129 402 HG13 VAL 53 3HG1 VAL 53 22.100 12.970 -3.520 403 HG21 VAL 53 3HG2 VAL 53 18.910 12.603 -3.147 404 HG22 VAL 53 1HG2 VAL 53 18.961 12.685 -4.909 405 HG23 VAL 53 2HG2 VAL 53 20.270 11.901 -4.024 406 H PHE 54 H PHE 54 20.900 15.954 -1.367 407 HA PHE 54 HA PHE 54 21.762 18.333 -2.857 408 HB2 PHE 54 2HB PHE 54 21.118 18.452 0.084 409 HB3 PHE 54 3HB PHE 54 21.377 19.789 -1.032 410 HD1 PHE 54 HD1 PHE 54 19.660 20.138 -2.881 411 HD2 PHE 54 HD2 PHE 54 18.975 17.661 0.512 412 HE1 PHE 54 HE1 PHE 54 17.234 20.290 -3.264 413 HE2 PHE 54 HE2 PHE 54 16.548 17.809 0.134 414 HZ PHE 54 HZ PHE 54 15.675 19.124 -1.756 415 H GLN 55 H GLN 55 23.877 18.067 -3.127 416 HA GLN 55 HA GLN 55 25.557 16.405 -1.684 417 HB2 GLN 55 2HB GLN 55 26.307 18.939 -3.152 418 HB3 GLN 55 3HB GLN 55 27.417 17.655 -2.693 419 HG2 GLN 55 2HG GLN 55 25.612 16.235 -4.091 420 HG3 GLN 55 3HG GLN 55 25.486 17.792 -4.908 421 HE21 GLN 55 1HE2 GLN 55 26.737 15.013 -5.451 422 HE22 GLN 55 2HE2 GLN 55 28.285 15.411 -6.106 423 H HIS 56 H HIS 56 24.767 19.799 -1.151 424 HA HIS 56 HA HIS 56 26.311 19.702 1.357 425 HB2 HIS 56 2HB HIS 56 26.509 21.534 -0.722 426 HB3 HIS 56 3HB HIS 56 25.536 22.371 0.483 427 HD1 HIS 56 HD1 HIS 56 26.674 22.937 2.742 428 HD2 HIS 56 HD2 HIS 56 29.179 21.111 -0.024 429 HE1 HIS 56 HE1 HIS 56 29.004 23.247 3.637 430 H ASN 57 H ASN 57 25.354 20.364 3.254 431 HA ASN 57 HA ASN 57 22.511 20.136 3.385 432 HB2 ASN 57 2HB ASN 57 22.766 20.330 5.761 433 HB3 ASN 57 3HB ASN 57 24.111 19.359 5.168 434 HD21 ASN 57 1HD2 ASN 57 23.155 22.248 6.734 435 HD22 ASN 57 2HD2 ASN 57 24.737 22.867 7.049 436 H ASN 58 H ASN 58 21.550 21.888 5.133 437 HA ASN 58 HA ASN 58 20.699 23.982 5.386 438 HB2 ASN 58 2HB ASN 58 23.336 24.377 5.480 439 HB3 ASN 58 3HB ASN 58 23.001 25.267 3.998 440 HD21 ASN 58 1HD2 ASN 58 22.202 25.008 7.406 441 HD22 ASN 58 2HD2 ASN 58 21.689 26.646 7.601 442 H PHE 59 H PHE 59 20.663 22.411 2.726 443 HA PHE 59 HA PHE 59 19.834 22.649 0.617 444 HB2 PHE 59 2HB PHE 59 18.252 24.379 2.380 445 HB3 PHE 59 3HB PHE 59 18.158 24.827 0.680 446 HD1 PHE 59 HD1 PHE 59 17.604 22.081 3.082 447 HD2 PHE 59 HD2 PHE 59 16.921 23.537 -0.858 448 HE1 PHE 59 HE1 PHE 59 15.962 20.287 2.707 449 HE2 PHE 59 HE2 PHE 59 15.278 21.746 -1.239 450 HZ PHE 59 HZ PHE 59 14.795 20.119 0.545 451 H LYS 60 H LYS 60 22.310 24.057 1.222 452 HA LYS 60 HA LYS 60 22.134 26.478 -0.404 453 HB2 LYS 60 2HB LYS 60 23.412 26.733 1.607 454 HB3 LYS 60 3HB LYS 60 24.355 25.290 1.259 455 HG2 LYS 60 2HG LYS 60 24.456 27.452 -0.751 456 HG3 LYS 60 3HG LYS 60 25.241 27.764 0.799 457 HD2 LYS 60 2HD LYS 60 26.114 25.245 0.249 458 HD3 LYS 60 3HD LYS 60 25.998 25.935 -1.372 459 HE2 LYS 60 2HE LYS 60 28.090 26.648 -0.888 460 HE3 LYS 60 3HE LYS 60 27.210 27.967 -0.119 461 HZ1 LYS 60 3HZ LYS 60 29.051 26.714 1.177 462 HZ2 LYS 60 1HZ LYS 60 27.846 25.554 1.436 463 HZ3 LYS 60 2HZ LYS 60 27.619 27.143 1.969 464 H GLY 61 H GLY 61 24.188 23.557 -0.271 465 HA2 GLY 61 2HA GLY 61 25.499 23.873 -2.686 466 HA3 GLY 61 3HA GLY 61 25.142 22.317 -1.952 467 H VAL 62 H VAL 62 25.215 22.306 -4.594 468 HA VAL 62 HA VAL 62 23.010 23.038 -6.081 469 HB VAL 62 HB VAL 62 25.067 22.051 -7.037 470 HG11 VAL 62 1HG1 VAL 62 25.667 19.845 -6.831 471 HG12 VAL 62 2HG1 VAL 62 24.955 20.139 -5.243 472 HG13 VAL 62 3HG1 VAL 62 24.020 19.315 -6.491 473 HG21 VAL 62 3HG2 VAL 62 22.597 21.993 -8.057 474 HG22 VAL 62 1HG2 VAL 62 24.001 21.358 -8.916 475 HG23 VAL 62 2HG2 VAL 62 22.933 20.261 -8.040 476 H ARG 63 H ARG 63 21.095 21.997 -6.702 477 HA ARG 63 HA ARG 63 20.161 19.946 -4.803 478 HB2 ARG 63 2HB ARG 63 17.927 20.827 -5.056 479 HB3 ARG 63 3HB ARG 63 19.014 22.141 -4.626 480 HG2 ARG 63 2HG ARG 63 19.103 22.806 -6.997 481 HG3 ARG 63 3HG ARG 63 17.943 21.530 -7.372 482 HD2 ARG 63 2HD ARG 63 16.284 22.920 -6.883 483 HD3 ARG 63 3HD ARG 63 16.875 23.017 -5.225 484 HE ARG 63 HE ARG 63 18.354 24.752 -6.895 485 HH11 ARG 63 1HH1 ARG 63 15.238 24.415 -5.381 486 HH12 ARG 63 2HH1 ARG 63 14.952 26.121 -5.289 487 HH21 ARG 63 1HH2 ARG 63 17.990 27.001 -6.780 488 HH22 ARG 63 2HH2 ARG 63 16.518 27.591 -6.086 489 H ASP 64 H ASP 64 19.524 18.042 -5.591 490 HA ASP 64 HA ASP 64 19.211 17.796 -8.510 491 HB2 ASP 64 2HB ASP 64 20.491 16.050 -6.465 492 HB3 ASP 64 3HB ASP 64 19.676 15.262 -7.813 493 H PHE 65 H PHE 65 17.935 15.614 -8.976 494 HA PHE 65 HA PHE 65 15.734 15.166 -7.155 495 HB2 PHE 65 2HB PHE 65 14.033 15.682 -8.960 496 HB3 PHE 65 3HB PHE 65 14.825 17.081 -8.242 497 HD1 PHE 65 HD2 PHE 65 14.836 14.853 -11.197 498 HD2 PHE 65 HD1 PHE 65 16.020 18.599 -9.562 499 HE1 PHE 65 HE2 PHE 65 15.511 15.613 -13.437 500 HE2 PHE 65 HE1 PHE 65 16.697 19.366 -11.800 501 HZ PHE 65 HZ PHE 65 16.444 17.872 -13.741 502 H TYR 66 H TYR 66 14.593 13.269 -7.584 503 HA TYR 66 HA TYR 66 15.236 11.732 -9.963 504 HB2 TYR 66 2HB TYR 66 16.537 11.268 -7.430 505 HB3 TYR 66 3HB TYR 66 15.569 9.870 -7.881 506 HD1 TYR 66 HD1 TYR 66 15.811 9.611 -10.704 507 HD2 TYR 66 HD2 TYR 66 18.758 10.889 -7.913 508 HE1 TYR 66 HE1 TYR 66 17.581 8.879 -12.247 509 HE2 TYR 66 HE2 TYR 66 20.536 10.162 -9.449 510 HH TYR 66 HH TYR 66 19.977 8.172 -12.096 511 H THR 67 H THR 67 13.493 10.671 -10.639 512 HA THR 67 HA THR 67 11.407 9.986 -8.676 513 HB THR 67 HB THR 67 10.713 11.974 -9.966 514 HG1 THR 67 HG1 THR 67 8.734 10.909 -10.839 515 HG21 THR 67 3HG2 THR 67 11.191 12.143 -12.133 516 HG22 THR 67 1HG2 THR 67 10.103 10.797 -12.469 517 HG23 THR 67 2HG2 THR 67 11.809 10.492 -12.144 518 H SER 68 H SER 68 13.440 8.255 -9.622 519 HA SER 68 HA SER 68 11.867 6.052 -10.467 520 HB2 SER 68 2HB SER 68 12.435 7.563 -12.601 521 HB3 SER 68 3HB SER 68 13.932 6.633 -12.533 522 HG SER 68 HG SER 68 12.794 5.190 -13.556 523 H ASP 69 H ASP 69 13.152 4.073 -10.702 524 HA ASP 69 HA ASP 69 14.985 3.704 -8.681 525 HB2 ASP 69 2HB ASP 69 15.704 1.650 -10.081 526 HB3 ASP 69 3HB ASP 69 14.031 1.748 -9.539 527 H ALA 70 H ALA 70 16.763 4.930 -8.473 528 HA ALA 70 HA ALA 70 18.456 5.423 -10.807 529 HB1 ALA 70 1HB ALA 70 19.433 7.187 -9.623 530 HB2 ALA 70 2HB ALA 70 17.728 7.252 -9.176 531 HB3 ALA 70 3HB ALA 70 18.905 6.553 -8.064 532 H ALA 71 H ALA 71 19.779 3.745 -11.193 533 HA ALA 71 HA ALA 71 20.827 2.041 -9.175 534 HB1 ALA 71 1HB ALA 71 21.839 0.854 -10.883 535 HB2 ALA 71 2HB ALA 71 20.458 1.587 -11.700 536 HB3 ALA 71 3HB ALA 71 22.066 2.288 -11.885 537 H GLU 72 H GLU 72 21.675 5.145 -10.151 538 HA GLU 72 HA GLU 72 24.252 4.908 -8.767 539 HB2 GLU 72 2HB GLU 72 24.234 5.096 -11.437 540 HB3 GLU 72 3HB GLU 72 24.103 6.806 -11.049 541 HG2 GLU 72 2HG GLU 72 26.135 5.666 -9.420 542 HG3 GLU 72 3HG GLU 72 26.411 5.181 -11.092 543 H LEU 73 H LEU 73 24.358 6.285 -7.130 544 HA LEU 73 HA LEU 73 22.399 8.086 -6.411 545 HB2 LEU 73 2HB LEU 73 24.249 7.189 -4.977 546 HB3 LEU 73 3HB LEU 73 25.319 8.370 -5.730 547 HG LEU 73 HG LEU 73 24.375 8.934 -3.433 548 HD11 LEU 73 1HD1 LEU 73 25.010 10.985 -3.979 549 HD12 LEU 73 2HD1 LEU 73 23.544 11.229 -4.927 550 HD13 LEU 73 3HD1 LEU 73 24.970 10.514 -5.678 551 HD21 LEU 73 3HD2 LEU 73 21.994 8.241 -4.459 552 HD22 LEU 73 1HD2 LEU 73 21.955 9.979 -4.762 553 HD23 LEU 73 2HD2 LEU 73 22.180 9.375 -3.120 554 H SER 74 H SER 74 22.034 10.248 -6.691 555 HA SER 74 HA SER 74 22.660 11.471 -9.072 556 HB2 SER 74 2HB SER 74 21.271 12.182 -6.702 557 HB3 SER 74 3HB SER 74 22.363 13.514 -7.082 558 HG SER 74 HG SER 74 20.835 12.377 -9.139 559 H ARG 75 H ARG 75 24.560 12.036 -9.879 560 HA ARG 75 HA ARG 75 26.677 12.842 -10.083 561 HB2 ARG 75 2HB ARG 75 26.010 14.349 -7.547 562 HB3 ARG 75 3HB ARG 75 27.334 14.711 -8.646 563 HG2 ARG 75 2HG ARG 75 24.430 14.792 -9.428 564 HG3 ARG 75 3HG ARG 75 25.353 16.195 -8.887 565 HD2 ARG 75 2HD ARG 75 26.035 16.498 -10.978 566 HD3 ARG 75 3HD ARG 75 26.894 14.961 -10.885 567 HE ARG 75 HE ARG 75 24.155 14.549 -11.486 568 HH11 ARG 75 1HH1 ARG 75 27.155 15.611 -12.897 569 HH12 ARG 75 2HH1 ARG 75 26.715 15.144 -14.506 570 HH21 ARG 75 1HH2 ARG 75 23.564 13.929 -13.601 571 HH22 ARG 75 2HH2 ARG 75 24.672 14.188 -14.905 572 H ASP 76 H ASP 76 28.766 13.298 -8.543 573 HA ASP 76 HA ASP 76 29.678 10.810 -7.745 574 HB2 ASP 76 2HB ASP 76 30.607 13.584 -7.489 575 HB3 ASP 76 3HB ASP 76 31.209 12.510 -6.230 576 H ASN 77 H ASN 77 30.238 9.992 -5.627 577 HA ASN 77 HA ASN 77 28.104 9.866 -3.863 578 HB2 ASN 77 2HB ASN 77 29.881 9.007 -2.211 579 HB3 ASN 77 3HB ASN 77 29.673 8.121 -3.719 580 HD21 ASN 77 1HD2 ASN 77 31.261 8.242 -5.303 581 HD22 ASN 77 2HD2 ASN 77 32.851 8.824 -4.963 582 H ASP 78 H ASP 78 27.265 11.709 -3.047 583 HA ASP 78 HA ASP 78 28.432 12.933 -0.824 584 HB2 ASP 78 2HB ASP 78 29.541 13.917 -3.182 585 HB3 ASP 78 3HB ASP 78 28.345 15.128 -2.729 586 H ALA 79 H ALA 79 26.528 12.997 0.205 587 HA ALA 79 HA ALA 79 24.465 14.771 -0.864 588 HB1 ALA 79 1HB ALA 79 23.618 12.705 -1.612 589 HB2 ALA 79 2HB ALA 79 24.028 11.897 -0.099 590 HB3 ALA 79 3HB ALA 79 22.718 13.077 -0.141 591 H SER 80 H SER 80 25.373 16.137 0.818 592 HA SER 80 HA SER 80 25.542 15.553 3.510 593 HB2 SER 80 2HB SER 80 24.938 18.103 2.033 594 HB3 SER 80 3HB SER 80 24.979 18.070 3.796 595 HG SER 80 HG SER 80 27.102 17.061 2.226 596 H SER 81 H SER 81 22.718 16.522 1.630 597 HA SER 81 HA SER 81 20.992 15.492 3.734 598 HB2 SER 81 2HB SER 81 20.951 17.715 4.470 599 HB3 SER 81 3HB SER 81 21.023 18.359 2.829 600 HG SER 81 HG SER 81 18.931 18.321 2.774 601 H VAL 82 H VAL 82 18.868 14.994 3.022 602 HA VAL 82 HA VAL 82 18.237 15.339 0.205 603 HB VAL 82 HB VAL 82 17.864 12.975 -0.221 604 HG11 VAL 82 1HG1 VAL 82 20.123 14.091 -0.586 605 HG12 VAL 82 2HG1 VAL 82 20.657 13.229 0.858 606 HG13 VAL 82 3HG1 VAL 82 20.100 12.328 -0.552 607 HG21 VAL 82 3HG2 VAL 82 17.478 11.665 1.545 608 HG22 VAL 82 1HG2 VAL 82 19.229 11.600 1.745 609 HG23 VAL 82 2HG2 VAL 82 18.281 12.781 2.649 610 H ARG 83 H ARG 83 16.069 15.317 -0.212 611 HA ARG 83 HA ARG 83 14.308 14.859 2.105 612 HB2 ARG 83 2HB ARG 83 12.749 16.465 0.958 613 HB3 ARG 83 3HB ARG 83 14.252 17.174 1.532 614 HG2 ARG 83 2HG ARG 83 14.662 17.949 -0.496 615 HG3 ARG 83 3HG ARG 83 14.670 16.302 -1.131 616 HD2 ARG 83 2HD ARG 83 12.919 16.986 -2.354 617 HD3 ARG 83 3HD ARG 83 12.002 16.774 -0.863 618 HE ARG 83 HE ARG 83 13.125 19.358 -0.930 619 HH11 ARG 83 1HH1 ARG 83 10.632 17.445 -2.429 620 HH12 ARG 83 2HH1 ARG 83 9.621 18.806 -2.785 621 HH21 ARG 83 1HH2 ARG 83 11.802 21.158 -1.393 622 HH22 ARG 83 2HH2 ARG 83 10.287 20.917 -2.197 623 H VAL 84 H VAL 84 12.309 13.838 1.774 624 HA VAL 84 HA VAL 84 11.906 12.571 -0.846 625 HB VAL 84 HB VAL 84 11.479 10.425 0.094 626 HG11 VAL 84 1HG1 VAL 84 13.632 9.801 0.924 627 HG12 VAL 84 2HG1 VAL 84 13.862 11.092 -0.257 628 HG13 VAL 84 3HG1 VAL 84 13.959 11.446 1.468 629 HG21 VAL 84 3HG2 VAL 84 11.372 11.933 2.635 630 HG22 VAL 84 1HG2 VAL 84 10.417 10.553 2.090 631 HG23 VAL 84 2HG2 VAL 84 12.048 10.306 2.712 632 H SER 85 H SER 85 9.809 12.361 -1.478 633 HA SER 85 HA SER 85 7.623 12.602 0.374 634 HB2 SER 85 2HB SER 85 8.162 14.833 -1.599 635 HB3 SER 85 3HB SER 85 6.659 14.635 -0.699 636 HG SER 85 HG SER 85 8.987 15.736 0.096 637 H LYS 86 H LYS 86 5.699 11.878 -0.475 638 HA LYS 86 HA LYS 86 5.892 10.373 -2.919 639 HB2 LYS 86 2HB LYS 86 3.558 10.800 -1.043 640 HB3 LYS 86 3HB LYS 86 3.586 9.655 -2.378 641 HG2 LYS 86 2HG LYS 86 4.747 8.144 -1.211 642 HG3 LYS 86 3HG LYS 86 5.825 9.361 -0.524 643 HD2 LYS 86 2HD LYS 86 4.529 8.289 1.231 644 HD3 LYS 86 3HD LYS 86 4.071 9.988 1.080 645 HE2 LYS 86 2HE LYS 86 2.441 8.397 -0.654 646 HE3 LYS 86 3HE LYS 86 2.403 7.718 0.972 647 HZ1 LYS 86 3HZ LYS 86 0.921 9.819 0.088 648 HZ2 LYS 86 1HZ LYS 86 2.162 10.572 0.958 649 HZ3 LYS 86 2HZ LYS 86 1.187 9.412 1.708 650 H MET 87 H MET 87 5.054 10.844 -4.874 651 HA MET 87 HA MET 87 3.885 13.502 -5.217 652 HB2 MET 87 2HB MET 87 5.723 11.958 -6.706 653 HB3 MET 87 3HB MET 87 4.274 12.096 -7.693 654 HG2 MET 87 2HG MET 87 4.378 14.586 -7.246 655 HG3 MET 87 3HG MET 87 5.992 14.298 -6.599 656 HE1 MET 87 3HE MET 87 4.441 14.906 -10.589 657 HE2 MET 87 1HE MET 87 4.348 13.145 -10.526 658 HE3 MET 87 2HE MET 87 3.566 14.114 -9.277 659 H GLU 88 H GLU 88 3.245 10.116 -6.076 660 HA GLU 88 HA GLU 88 0.865 10.448 -7.453 661 HB2 GLU 88 2HB GLU 88 2.277 8.272 -6.180 662 HB3 GLU 88 3HB GLU 88 0.542 8.103 -5.948 663 HG2 GLU 88 2HG GLU 88 0.148 8.118 -8.295 664 HG3 GLU 88 3HG GLU 88 1.822 8.558 -8.629 665 H THR 89 H THR 89 1.494 10.572 -4.026 666 HA THR 89 HA THR 89 -1.247 11.485 -3.586 667 HB THR 89 HB THR 89 -0.693 9.973 -1.300 668 HG1 THR 89 HG1 THR 89 0.868 8.797 -2.500 669 HG21 THR 89 3HG2 THR 89 -2.523 8.471 -2.346 670 HG22 THR 89 1HG2 THR 89 -2.534 9.661 -3.647 671 HG23 THR 89 2HG2 THR 89 -2.910 10.155 -1.996 672 H THR 90 H THR 90 -1.082 13.405 -2.652 673 HA THR 90 HA THR 90 1.308 14.194 -1.246 674 HB THR 90 HB THR 90 -0.912 16.050 -0.986 675 HG1 THR 90 HG1 THR 90 -1.711 15.272 -2.892 676 HG21 THR 90 3HG2 THR 90 1.774 16.152 -2.359 677 HG22 THR 90 1HG2 THR 90 1.383 16.746 -0.745 678 HG23 THR 90 2HG2 THR 90 0.699 17.537 -2.165 679 H ASN 91 H ASN 91 0.980 15.485 0.860 680 HA ASN 91 HA ASN 91 0.508 15.469 3.084 681 HB2 ASN 91 2HB ASN 91 -2.114 14.160 2.352 682 HB3 ASN 91 3HB ASN 91 -1.760 15.138 3.773 683 HD21 ASN 91 1HD2 ASN 91 -3.426 15.206 1.060 684 HD22 ASN 91 2HD2 ASN 91 -3.337 16.883 0.652 Start of MODEL 11 1 H GLY 1 H GLY 1 -2.082 3.040 3.975 2 HA2 GLY 1 2HA GLY 1 -0.008 1.566 2.518 3 HA3 GLY 1 3HA GLY 1 -1.467 2.254 1.821 4 H GLU 2 H GLU 2 1.570 3.221 3.401 5 HA GLU 2 HA GLU 2 1.547 5.661 1.755 6 HB2 GLU 2 2HB GLU 2 3.174 6.557 3.406 7 HB3 GLU 2 3HB GLU 2 1.613 6.164 4.113 8 HG2 GLU 2 2HG GLU 2 3.291 3.877 4.302 9 HG3 GLU 2 3HG GLU 2 4.175 5.279 4.900 10 H LYS 3 H LYS 3 3.240 6.144 0.432 11 HA LYS 3 HA LYS 3 4.973 3.966 -0.307 12 HB2 LYS 3 2HB LYS 3 5.055 6.786 -1.373 13 HB3 LYS 3 3HB LYS 3 5.629 5.321 -2.159 14 HG2 LYS 3 2HG LYS 3 2.902 4.914 -1.613 15 HG3 LYS 3 3HG LYS 3 3.050 6.544 -2.275 16 HD2 LYS 3 2HD LYS 3 2.950 5.452 -4.250 17 HD3 LYS 3 3HD LYS 3 4.672 5.201 -3.956 18 HE2 LYS 3 2HE LYS 3 3.813 3.085 -4.533 19 HE3 LYS 3 3HE LYS 3 4.012 3.053 -2.782 20 HZ1 LYS 3 3HZ LYS 3 1.882 2.536 -2.604 21 HZ2 LYS 3 1HZ LYS 3 1.679 2.623 -4.282 22 HZ3 LYS 3 2HZ LYS 3 1.448 4.002 -3.329 23 H THR 4 H THR 4 7.326 4.313 -0.626 24 HA THR 4 HA THR 4 8.660 6.325 0.917 25 HB THR 4 HB THR 4 8.148 4.997 2.814 26 HG1 THR 4 HG1 THR 4 10.170 5.140 3.393 27 HG21 THR 4 3HG2 THR 4 9.087 2.610 1.219 28 HG22 THR 4 1HG2 THR 4 7.426 2.964 1.691 29 HG23 THR 4 2HG2 THR 4 8.629 2.579 2.921 30 H VAL 5 H VAL 5 10.740 6.586 0.266 31 HA VAL 5 HA VAL 5 11.656 4.860 -1.901 32 HB VAL 5 HB VAL 5 11.733 7.219 -2.374 33 HG11 VAL 5 1HG1 VAL 5 13.234 8.718 -1.056 34 HG12 VAL 5 2HG1 VAL 5 11.816 8.151 -0.172 35 HG13 VAL 5 3HG1 VAL 5 13.395 7.425 0.132 36 HG21 VAL 5 3HG2 VAL 5 14.528 6.202 -1.868 37 HG22 VAL 5 1HG2 VAL 5 13.538 5.812 -3.274 38 HG23 VAL 5 2HG2 VAL 5 14.066 7.472 -3.000 39 H LYS 6 H LYS 6 13.415 3.573 -1.808 40 HA LYS 6 HA LYS 6 14.741 3.325 0.797 41 HB2 LYS 6 2HB LYS 6 14.454 1.421 -1.525 42 HB3 LYS 6 3HB LYS 6 15.531 1.111 -0.169 43 HG2 LYS 6 2HG LYS 6 13.647 1.138 1.362 44 HG3 LYS 6 3HG LYS 6 12.552 1.511 0.029 45 HD2 LYS 6 2HD LYS 6 13.478 -0.653 -1.034 46 HD3 LYS 6 3HD LYS 6 14.046 -1.027 0.595 47 HE2 LYS 6 2HE LYS 6 11.882 -1.138 1.452 48 HE3 LYS 6 3HE LYS 6 11.200 -0.228 0.105 49 HZ1 LYS 6 3HZ LYS 6 10.823 -2.745 0.194 50 HZ2 LYS 6 1HZ LYS 6 12.426 -2.876 -0.331 51 HZ3 LYS 6 2HZ LYS 6 11.288 -2.064 -1.283 52 H LEU 7 H LEU 7 16.930 3.486 1.034 53 HA LEU 7 HA LEU 7 18.412 4.453 -1.318 54 HB2 LEU 7 2HB LEU 7 18.754 4.988 1.622 55 HB3 LEU 7 3HB LEU 7 19.975 5.416 0.424 56 HG LEU 7 HG LEU 7 17.149 6.467 0.392 57 HD11 LEU 7 1HD1 LEU 7 17.733 7.749 2.111 58 HD12 LEU 7 2HD1 LEU 7 18.870 8.544 1.022 59 HD13 LEU 7 3HD1 LEU 7 19.410 7.208 2.040 60 HD21 LEU 7 3HD2 LEU 7 17.684 7.474 -1.520 61 HD22 LEU 7 1HD2 LEU 7 19.100 6.424 -1.576 62 HD23 LEU 7 2HD2 LEU 7 19.227 8.038 -0.876 63 H TYR 8 H TYR 8 20.057 3.288 -2.069 64 HA TYR 8 HA TYR 8 21.194 1.195 -0.333 65 HB2 TYR 8 2HB TYR 8 20.723 1.033 -3.318 66 HB3 TYR 8 3HB TYR 8 21.472 -0.214 -2.326 67 HD1 TYR 8 HD2 TYR 8 18.302 1.651 -2.844 68 HD2 TYR 8 HD1 TYR 8 20.157 -1.820 -1.228 69 HE1 TYR 8 HE2 TYR 8 16.086 0.677 -2.408 70 HE2 TYR 8 HE1 TYR 8 17.946 -2.804 -0.789 71 HH TYR 8 HH TYR 8 15.703 -2.276 -0.585 72 H GLU 9 H GLU 9 23.402 0.795 -0.500 73 HA GLU 9 HA GLU 9 24.955 3.043 -1.469 74 HB2 GLU 9 2HB GLU 9 26.782 2.121 -0.245 75 HB3 GLU 9 3HB GLU 9 25.351 1.954 0.762 76 HG2 GLU 9 2HG GLU 9 25.278 -0.418 -0.446 77 HG3 GLU 9 3HG GLU 9 27.012 -0.115 -0.536 78 H ASP 10 H ASP 10 24.411 -0.324 -2.261 79 HA ASP 10 HA ASP 10 26.548 -0.427 -4.196 80 HB2 ASP 10 2HB ASP 10 25.588 -2.390 -2.819 81 HB3 ASP 10 3HB ASP 10 24.288 -2.405 -4.008 82 H THR 11 H THR 11 26.385 -0.339 -6.403 83 HA THR 11 HA THR 11 24.163 1.136 -7.462 84 HB THR 11 HB THR 11 25.369 1.097 -9.585 85 HG1 THR 11 HG1 THR 11 26.609 -0.571 -9.949 86 HG21 THR 11 3HG2 THR 11 27.649 1.952 -8.648 87 HG22 THR 11 1HG2 THR 11 26.867 1.757 -7.080 88 HG23 THR 11 2HG2 THR 11 26.168 2.839 -8.286 89 H HIS 12 H HIS 12 22.835 -0.906 -6.653 90 HA HIS 12 HA HIS 12 21.637 -2.037 -8.902 91 HB2 HIS 12 2HB HIS 12 24.009 -3.400 -8.151 92 HB3 HIS 12 3HB HIS 12 22.653 -4.431 -7.702 93 HD1 HIS 12 HD1 HIS 12 22.735 -6.151 -9.514 94 HD2 HIS 12 HD2 HIS 12 22.845 -2.274 -11.003 95 HE1 HIS 12 HE1 HIS 12 22.537 -6.384 -12.010 96 H PHE 13 H PHE 13 22.500 -3.068 -5.597 97 HA PHE 13 HA PHE 13 20.052 -2.534 -4.419 98 HB2 PHE 13 2HB PHE 13 19.863 -4.758 -6.150 99 HB3 PHE 13 3HB PHE 13 19.854 -5.402 -4.511 100 HD1 PHE 13 HD2 PHE 13 18.226 -4.242 -2.847 101 HD2 PHE 13 HD1 PHE 13 17.902 -3.992 -7.084 102 HE1 PHE 13 HE2 PHE 13 15.850 -3.644 -2.626 103 HE2 PHE 13 HE1 PHE 13 15.525 -3.392 -6.869 104 HZ PHE 13 HZ PHE 13 14.496 -3.218 -4.639 105 H LYS 14 H LYS 14 22.898 -4.529 -4.587 106 HA LYS 14 HA LYS 14 22.957 -5.756 -2.130 107 HB2 LYS 14 2HB LYS 14 24.760 -5.365 -4.182 108 HB3 LYS 14 3HB LYS 14 25.528 -4.546 -2.828 109 HG2 LYS 14 2HG LYS 14 26.291 -6.517 -2.173 110 HG3 LYS 14 3HG LYS 14 24.628 -6.968 -1.787 111 HD2 LYS 14 2HD LYS 14 25.174 -8.667 -3.218 112 HD3 LYS 14 3HD LYS 14 24.540 -7.493 -4.374 113 HE2 LYS 14 2HE LYS 14 26.498 -7.399 -5.418 114 HE3 LYS 14 3HE LYS 14 27.323 -6.992 -3.914 115 HZ1 LYS 14 3HZ LYS 14 26.576 -9.782 -4.270 116 HZ2 LYS 14 1HZ LYS 14 27.974 -9.113 -3.591 117 HZ3 LYS 14 2HZ LYS 14 27.812 -9.207 -5.272 118 H GLY 15 H GLY 15 24.157 -5.187 -0.157 119 HA2 GLY 15 2HA GLY 15 24.990 -3.626 1.402 120 HA3 GLY 15 3HA GLY 15 24.415 -2.324 0.371 121 H TYR 16 H TYR 16 23.813 -1.743 2.754 122 HA TYR 16 HA TYR 16 21.327 -2.972 3.624 123 HB2 TYR 16 2HB TYR 16 21.526 -1.517 5.579 124 HB3 TYR 16 3HB TYR 16 23.033 -2.381 5.295 125 HD1 TYR 16 HD2 TYR 16 25.025 -1.198 4.544 126 HD2 TYR 16 HD1 TYR 16 21.388 0.886 5.273 127 HE1 TYR 16 HE2 TYR 16 26.252 0.933 4.539 128 HE2 TYR 16 HE1 TYR 16 22.605 3.023 5.269 129 HH TYR 16 HH TYR 16 25.354 3.571 3.994 130 H SER 17 H SER 17 19.349 -2.164 3.307 131 HA SER 17 HA SER 17 19.082 0.221 1.672 132 HB2 SER 17 2HB SER 17 16.634 -1.145 2.596 133 HB3 SER 17 3HB SER 17 17.107 -0.652 0.971 134 HG SER 17 HG SER 17 17.030 -2.944 1.244 135 H VAL 18 H VAL 18 18.048 2.093 2.259 136 HA VAL 18 HA VAL 18 17.204 2.325 5.071 137 HB VAL 18 HB VAL 18 18.876 4.291 3.505 138 HG11 VAL 18 1HG1 VAL 18 17.109 4.661 5.825 139 HG12 VAL 18 2HG1 VAL 18 18.733 5.328 6.002 140 HG13 VAL 18 3HG1 VAL 18 17.712 5.836 4.656 141 HG21 VAL 18 3HG2 VAL 18 19.992 3.780 6.013 142 HG22 VAL 18 1HG2 VAL 18 19.474 2.208 5.404 143 HG23 VAL 18 2HG2 VAL 18 20.573 3.205 4.450 144 H GLU 19 H GLU 19 15.060 2.570 4.954 145 HA GLU 19 HA GLU 19 13.928 4.270 2.850 146 HB2 GLU 19 2HB GLU 19 11.924 3.128 3.086 147 HB3 GLU 19 3HB GLU 19 13.106 1.866 3.407 148 HG2 GLU 19 2HG GLU 19 11.562 3.428 5.465 149 HG3 GLU 19 3HG GLU 19 11.282 1.754 4.990 150 H LEU 20 H LEU 20 12.540 5.983 3.317 151 HA LEU 20 HA LEU 20 12.157 6.756 6.098 152 HB2 LEU 20 2HB LEU 20 12.890 9.158 5.070 153 HB3 LEU 20 3HB LEU 20 13.931 8.112 6.034 154 HG LEU 20 HG LEU 20 13.904 7.808 3.063 155 HD11 LEU 20 1HD1 LEU 20 15.364 9.957 4.589 156 HD12 LEU 20 2HD1 LEU 20 14.155 10.184 3.326 157 HD13 LEU 20 3HD1 LEU 20 15.723 9.482 2.929 158 HD21 LEU 20 3HD2 LEU 20 15.271 6.618 5.163 159 HD22 LEU 20 1HD2 LEU 20 16.436 7.742 4.463 160 HD23 LEU 20 2HD2 LEU 20 15.675 6.516 3.449 161 HA PRO 21 HA PRO 21 8.252 7.969 4.441 162 HB2 PRO 21 2HB PRO 21 7.380 9.437 6.552 163 HB3 PRO 21 3HB PRO 21 7.437 7.670 6.568 164 HG2 PRO 21 2HG PRO 21 9.372 9.638 7.727 165 HG3 PRO 21 3HG PRO 21 8.748 8.135 8.432 166 HD2 PRO 21 2HD PRO 21 11.192 8.298 7.277 167 HD3 PRO 21 3HD PRO 21 10.213 6.818 7.234 168 H VAL 22 H VAL 22 6.991 9.940 3.978 169 HA VAL 22 HA VAL 22 8.332 11.842 2.562 170 HB VAL 22 HB VAL 22 5.946 11.665 2.370 171 HG11 VAL 22 1HG1 VAL 22 4.996 13.070 4.645 172 HG12 VAL 22 2HG1 VAL 22 4.646 11.412 4.151 173 HG13 VAL 22 3HG1 VAL 22 6.018 11.748 5.208 174 HG21 VAL 22 3HG2 VAL 22 6.567 14.391 3.498 175 HG22 VAL 22 1HG2 VAL 22 7.028 13.855 1.883 176 HG23 VAL 22 2HG2 VAL 22 5.323 13.982 2.317 177 H GLY 23 H GLY 23 9.861 13.234 3.136 178 HA2 GLY 23 2HA GLY 23 9.608 15.338 4.868 179 HA3 GLY 23 3HA GLY 23 10.241 14.037 5.865 180 H ASP 24 H ASP 24 11.800 16.145 5.764 181 HA ASP 24 HA ASP 24 13.858 15.533 3.746 182 HB2 ASP 24 2HB ASP 24 14.623 17.954 4.641 183 HB3 ASP 24 3HB ASP 24 13.517 17.735 3.288 184 H TYR 25 H TYR 25 15.905 15.074 4.387 185 HA TYR 25 HA TYR 25 16.497 15.208 7.266 186 HB2 TYR 25 2HB TYR 25 17.415 12.916 5.542 187 HB3 TYR 25 3HB TYR 25 17.391 13.023 7.299 188 HD1 TYR 25 HD2 TYR 25 15.128 12.921 4.342 189 HD2 TYR 25 HD1 TYR 25 15.605 12.124 8.494 190 HE1 TYR 25 HE2 TYR 25 12.937 11.803 4.373 191 HE2 TYR 25 HE1 TYR 25 13.416 11.003 8.537 192 HH TYR 25 HH TYR 25 11.434 10.787 7.354 193 H ASN 26 H ASN 26 18.726 15.379 7.810 194 HA ASN 26 HA ASN 26 20.342 16.523 5.635 195 HB2 ASN 26 2HB ASN 26 20.602 16.931 8.623 196 HB3 ASN 26 3HB ASN 26 21.569 17.726 7.384 197 HD21 ASN 26 1HD2 ASN 26 18.392 17.457 8.805 198 HD22 ASN 26 2HD2 ASN 26 17.782 18.955 8.199 199 H LEU 27 H LEU 27 22.831 16.417 6.467 200 HA LEU 27 HA LEU 27 23.702 13.841 5.965 201 HB2 LEU 27 2HB LEU 27 25.252 15.562 5.655 202 HB3 LEU 27 3HB LEU 27 25.003 16.199 7.279 203 HG LEU 27 HG LEU 27 26.174 13.480 7.031 204 HD11 LEU 27 1HD1 LEU 27 28.149 15.641 6.945 205 HD12 LEU 27 2HD1 LEU 27 27.241 15.418 5.450 206 HD13 LEU 27 3HD1 LEU 27 28.143 14.070 6.142 207 HD21 LEU 27 3HD2 LEU 27 26.249 15.792 8.908 208 HD22 LEU 27 1HD2 LEU 27 27.607 14.667 8.885 209 HD23 LEU 27 2HD2 LEU 27 25.981 14.079 9.234 210 H SER 28 H SER 28 23.534 15.489 9.120 211 HA SER 28 HA SER 28 24.386 13.313 10.667 212 HB2 SER 28 2HB SER 28 22.653 15.692 11.351 213 HB3 SER 28 3HB SER 28 23.198 14.523 12.553 214 HG SER 28 HG SER 28 24.612 16.495 11.222 215 H SER 29 H SER 29 21.143 14.339 9.687 216 HA SER 29 HA SER 29 19.655 12.513 11.178 217 HB2 SER 29 2HB SER 29 18.719 14.443 9.892 218 HB3 SER 29 3HB SER 29 18.978 13.528 8.407 219 HG SER 29 HG SER 29 17.656 11.852 9.582 220 H LEU 30 H LEU 30 21.466 12.104 8.228 221 HA LEU 30 HA LEU 30 20.306 9.596 7.499 222 HB2 LEU 30 2HB LEU 30 22.671 11.188 6.626 223 HB3 LEU 30 3HB LEU 30 22.560 9.493 6.156 224 HG LEU 30 HG LEU 30 20.228 11.256 5.602 225 HD11 LEU 30 1HD1 LEU 30 21.143 12.315 3.774 226 HD12 LEU 30 2HD1 LEU 30 22.476 11.169 3.640 227 HD13 LEU 30 3HD1 LEU 30 22.479 12.378 4.924 228 HD21 LEU 30 3HD2 LEU 30 20.646 8.675 5.141 229 HD22 LEU 30 1HD2 LEU 30 21.396 9.322 3.681 230 HD23 LEU 30 2HD2 LEU 30 19.708 9.687 4.041 231 H ILE 31 H ILE 31 23.013 10.612 9.470 232 HA ILE 31 HA ILE 31 24.356 8.152 9.665 233 HB ILE 31 HB ILE 31 24.208 10.207 11.864 234 HG12 ILE 31 2HG1 ILE 31 24.710 11.439 9.867 235 HG13 ILE 31 3HG1 ILE 31 26.221 11.219 10.744 236 HG21 ILE 31 1HG2 ILE 31 26.064 7.988 11.136 237 HG22 ILE 31 2HG2 ILE 31 26.689 9.398 11.990 238 HG23 ILE 31 3HG2 ILE 31 25.402 8.430 12.710 239 HD11 ILE 31 3HD1 ILE 31 26.044 9.029 9.031 240 HD12 ILE 31 1HD1 ILE 31 25.516 10.417 8.080 241 HD13 ILE 31 2HD1 ILE 31 27.093 10.437 8.870 242 H SER 32 H SER 32 21.474 9.349 11.185 243 HA SER 32 HA SER 32 21.414 7.527 13.366 244 HB2 SER 32 2HB SER 32 18.919 8.670 12.155 245 HB3 SER 32 3HB SER 32 19.310 8.399 13.853 246 HG SER 32 HG SER 32 20.738 10.143 13.756 247 H ARG 33 H ARG 33 20.533 7.315 10.021 248 HA ARG 33 HA ARG 33 19.051 4.835 10.434 249 HB2 ARG 33 2HB ARG 33 19.649 6.091 7.768 250 HB3 ARG 33 3HB ARG 33 18.320 5.026 8.205 251 HG2 ARG 33 2HG ARG 33 17.975 7.203 9.865 252 HG3 ARG 33 3HG ARG 33 18.510 7.914 8.341 253 HD2 ARG 33 2HD ARG 33 16.109 7.766 8.338 254 HD3 ARG 33 3HD ARG 33 16.758 6.614 7.171 255 HE ARG 33 HE ARG 33 16.475 5.096 9.366 256 HH11 ARG 33 1HH1 ARG 33 14.316 7.308 7.764 257 HH12 ARG 33 2HH1 ARG 33 12.884 6.455 8.235 258 HH21 ARG 33 1HH2 ARG 33 14.596 3.964 9.991 259 HH22 ARG 33 2HH2 ARG 33 13.044 4.553 9.502 260 H GLY 34 H GLY 34 22.075 5.277 10.722 261 HA2 GLY 34 2HA GLY 34 23.910 3.915 10.456 262 HA3 GLY 34 3HA GLY 34 22.847 2.732 9.709 263 H ALA 35 H ALA 35 22.901 5.903 8.367 264 HA ALA 35 HA ALA 35 23.846 4.905 5.855 265 HB1 ALA 35 1HB ALA 35 23.153 6.888 4.957 266 HB2 ALA 35 2HB ALA 35 22.164 6.855 6.418 267 HB3 ALA 35 3HB ALA 35 23.635 7.826 6.371 268 H LEU 36 H LEU 36 25.551 6.267 4.647 269 HA LEU 36 HA LEU 36 27.870 6.639 6.427 270 HB2 LEU 36 2HB LEU 36 28.053 4.676 4.964 271 HB3 LEU 36 3HB LEU 36 27.841 5.716 3.557 272 HG LEU 36 HG LEU 36 30.214 4.917 4.189 273 HD11 LEU 36 1HD1 LEU 36 30.711 6.436 2.656 274 HD12 LEU 36 2HD1 LEU 36 30.647 7.702 3.882 275 HD13 LEU 36 3HD1 LEU 36 29.193 7.273 2.980 276 HD21 LEU 36 3HD2 LEU 36 31.319 5.873 5.935 277 HD22 LEU 36 1HD2 LEU 36 29.692 5.850 6.615 278 HD23 LEU 36 2HD2 LEU 36 30.330 7.334 5.908 279 H ASN 37 H ASN 37 25.894 7.988 3.949 280 HA ASN 37 HA ASN 37 25.785 10.079 3.055 281 HB2 ASN 37 2HB ASN 37 26.489 10.640 5.504 282 HB3 ASN 37 3HB ASN 37 28.061 10.987 4.790 283 HD21 ASN 37 1HD2 ASN 37 28.377 12.890 3.828 284 HD22 ASN 37 2HD2 ASN 37 27.152 14.078 3.556 285 H ASP 38 H ASP 38 26.540 10.759 1.151 286 HA ASP 38 HA ASP 38 27.899 11.065 -0.648 287 HB2 ASP 38 2HB ASP 38 30.319 10.841 1.112 288 HB3 ASP 38 3HB ASP 38 30.062 11.868 -0.295 289 H ASP 39 H ASP 39 27.110 8.416 0.105 290 HA ASP 39 HA ASP 39 29.233 6.921 -1.255 291 HB2 ASP 39 2HB ASP 39 29.670 6.242 0.943 292 HB3 ASP 39 3HB ASP 39 27.963 6.237 1.380 293 H LEU 40 H LEU 40 25.865 7.198 -0.311 294 HA LEU 40 HA LEU 40 24.698 5.010 -1.441 295 HB2 LEU 40 2HB LEU 40 23.849 7.851 -1.178 296 HB3 LEU 40 3HB LEU 40 22.854 6.761 -2.141 297 HG LEU 40 HG LEU 40 22.418 5.374 -0.240 298 HD11 LEU 40 1HD1 LEU 40 23.329 6.041 2.009 299 HD12 LEU 40 2HD1 LEU 40 24.462 7.086 1.152 300 HD13 LEU 40 3HD1 LEU 40 24.499 5.343 0.888 301 HD21 LEU 40 3HD2 LEU 40 21.119 7.493 -0.524 302 HD22 LEU 40 1HD2 LEU 40 22.179 8.233 0.676 303 HD23 LEU 40 2HD2 LEU 40 21.157 6.869 1.126 304 H SER 41 H SER 41 24.557 4.154 -3.407 305 HA SER 41 HA SER 41 25.115 5.880 -5.730 306 HB2 SER 41 2HB SER 41 26.793 3.923 -4.895 307 HB3 SER 41 3HB SER 41 25.753 3.001 -5.980 308 HG SER 41 HG SER 41 27.742 4.256 -6.791 309 H SER 42 H SER 42 22.792 4.184 -4.201 310 HA SER 42 HA SER 42 21.259 3.859 -6.664 311 HB2 SER 42 2HB SER 42 21.959 1.659 -4.759 312 HB3 SER 42 3HB SER 42 20.384 1.634 -5.551 313 HG SER 42 HG SER 42 21.409 0.824 -7.186 314 H ALA 43 H ALA 43 18.955 3.735 -6.308 315 HA ALA 43 HA ALA 43 17.901 4.194 -3.668 316 HB1 ALA 43 1HB ALA 43 18.484 6.437 -5.442 317 HB2 ALA 43 2HB ALA 43 16.815 6.401 -4.871 318 HB3 ALA 43 3HB ALA 43 18.144 6.416 -3.711 319 H ARG 44 H ARG 44 16.222 2.853 -3.727 320 HA ARG 44 HA ARG 44 14.789 2.322 -6.172 321 HB2 ARG 44 2HB ARG 44 15.337 0.666 -4.256 322 HB3 ARG 44 3HB ARG 44 13.944 1.375 -3.450 323 HG2 ARG 44 2HG ARG 44 13.280 0.678 -6.156 324 HG3 ARG 44 3HG ARG 44 13.963 -0.709 -5.306 325 HD2 ARG 44 2HD ARG 44 12.356 -0.308 -3.462 326 HD3 ARG 44 3HD ARG 44 11.634 0.987 -4.417 327 HE ARG 44 HE ARG 44 11.649 -1.340 -5.965 328 HH11 ARG 44 1HH1 ARG 44 10.145 -0.085 -3.087 329 HH12 ARG 44 2HH1 ARG 44 8.705 -1.030 -3.269 330 HH21 ARG 44 1HH2 ARG 44 9.758 -2.591 -6.216 331 HH22 ARG 44 2HH2 ARG 44 8.486 -2.456 -5.049 332 H VAL 45 H VAL 45 13.411 3.824 -6.879 333 HA VAL 45 HA VAL 45 11.311 4.736 -5.057 334 HB VAL 45 HB VAL 45 12.813 6.583 -4.964 335 HG11 VAL 45 1HG1 VAL 45 13.049 7.540 -7.585 336 HG12 VAL 45 2HG1 VAL 45 14.322 6.858 -6.572 337 HG13 VAL 45 3HG1 VAL 45 13.413 5.817 -7.668 338 HG21 VAL 45 3HG2 VAL 45 11.208 8.105 -5.266 339 HG22 VAL 45 1HG2 VAL 45 11.165 7.826 -7.007 340 HG23 VAL 45 2HG2 VAL 45 10.231 6.792 -5.925 341 HA PRO 46 HA PRO 46 9.561 3.295 -9.056 342 HB2 PRO 46 2HB PRO 46 7.351 2.193 -7.928 343 HB3 PRO 46 3HB PRO 46 8.893 1.338 -8.056 344 HG2 PRO 46 2HG PRO 46 7.716 2.783 -5.713 345 HG3 PRO 46 3HG PRO 46 8.552 1.219 -5.758 346 HD2 PRO 46 2HD PRO 46 9.774 3.503 -4.968 347 HD3 PRO 46 3HD PRO 46 10.640 2.195 -5.800 348 H SER 47 H SER 47 7.321 3.693 -9.942 349 HA SER 47 HA SER 47 6.683 6.373 -9.923 350 HB2 SER 47 2HB SER 47 5.091 3.932 -10.669 351 HB3 SER 47 3HB SER 47 4.382 5.543 -10.786 352 HG SER 47 HG SER 47 5.354 5.626 -12.641 353 H GLY 48 H GLY 48 5.466 7.700 -8.701 354 HA2 GLY 48 2HA GLY 48 3.614 8.163 -7.257 355 HA3 GLY 48 3HA GLY 48 3.713 6.513 -6.659 356 H LEU 49 H LEU 49 6.473 8.649 -7.047 357 HA LEU 49 HA LEU 49 6.552 9.560 -4.362 358 HB2 LEU 49 2HB LEU 49 7.140 7.006 -4.345 359 HB3 LEU 49 3HB LEU 49 8.710 7.575 -4.910 360 HG LEU 49 HG LEU 49 7.506 8.729 -2.426 361 HD11 LEU 49 1HD1 LEU 49 8.875 6.962 -1.207 362 HD12 LEU 49 2HD1 LEU 49 8.843 6.058 -2.720 363 HD13 LEU 49 3HD1 LEU 49 7.334 6.452 -1.896 364 HD21 LEU 49 3HD2 LEU 49 10.286 8.337 -3.507 365 HD22 LEU 49 1HD2 LEU 49 9.957 8.842 -1.850 366 HD23 LEU 49 2HD2 LEU 49 9.441 9.855 -3.199 367 H ARG 50 H ARG 50 7.870 11.279 -4.229 368 HA ARG 50 HA ARG 50 9.872 11.637 -6.362 369 HB2 ARG 50 2HB ARG 50 7.917 13.126 -6.642 370 HB3 ARG 50 3HB ARG 50 8.207 13.786 -5.038 371 HG2 ARG 50 2HG ARG 50 10.341 14.677 -5.757 372 HG3 ARG 50 3HG ARG 50 10.126 13.952 -7.352 373 HD2 ARG 50 2HD ARG 50 8.091 15.327 -7.655 374 HD3 ARG 50 3HD ARG 50 8.414 16.098 -6.103 375 HE ARG 50 HE ARG 50 10.668 16.316 -7.794 376 HH11 ARG 50 1HH1 ARG 50 7.458 17.584 -7.338 377 HH12 ARG 50 2HH1 ARG 50 7.817 19.112 -8.073 378 HH21 ARG 50 1HH2 ARG 50 11.152 18.323 -8.763 379 HH22 ARG 50 2HH2 ARG 50 9.918 19.530 -8.884 380 H LEU 51 H LEU 51 11.895 12.103 -5.743 381 HA LEU 51 HA LEU 51 12.360 13.042 -3.002 382 HB2 LEU 51 2HB LEU 51 14.113 11.459 -2.644 383 HB3 LEU 51 3HB LEU 51 12.651 10.586 -3.099 384 HG LEU 51 HG LEU 51 14.231 11.111 -5.435 385 HD11 LEU 51 1HD1 LEU 51 15.717 9.331 -3.576 386 HD12 LEU 51 2HD1 LEU 51 15.959 11.073 -3.445 387 HD13 LEU 51 3HD1 LEU 51 16.292 10.249 -4.968 388 HD21 LEU 51 3HD2 LEU 51 12.845 9.333 -5.696 389 HD22 LEU 51 1HD2 LEU 51 12.998 8.825 -4.014 390 HD23 LEU 51 2HD2 LEU 51 14.283 8.460 -5.165 391 H GLU 52 H GLU 52 14.420 14.075 -2.681 392 HA GLU 52 HA GLU 52 15.713 14.957 -5.174 393 HB2 GLU 52 2HB GLU 52 15.125 16.701 -2.775 394 HB3 GLU 52 3HB GLU 52 15.937 17.205 -4.251 395 HG2 GLU 52 2HG GLU 52 13.812 16.553 -5.469 396 HG3 GLU 52 3HG GLU 52 13.058 16.451 -3.879 397 H VAL 53 H VAL 53 17.924 15.664 -4.940 398 HA VAL 53 HA VAL 53 19.258 14.451 -2.606 399 HB VAL 53 HB VAL 53 20.369 14.715 -5.403 400 HG11 VAL 53 1HG1 VAL 53 22.159 13.246 -4.545 401 HG12 VAL 53 2HG1 VAL 53 22.108 14.808 -3.727 402 HG13 VAL 53 3HG1 VAL 53 21.459 13.373 -2.932 403 HG21 VAL 53 3HG2 VAL 53 19.395 12.786 -5.918 404 HG22 VAL 53 1HG2 VAL 53 20.103 12.016 -4.497 405 HG23 VAL 53 2HG2 VAL 53 18.543 12.830 -4.374 406 H PHE 54 H PHE 54 20.602 15.689 -1.443 407 HA PHE 54 HA PHE 54 21.413 18.290 -2.560 408 HB2 PHE 54 2HB PHE 54 20.662 17.815 0.328 409 HB3 PHE 54 3HB PHE 54 21.034 19.357 -0.435 410 HD1 PHE 54 HD1 PHE 54 19.488 19.510 -2.783 411 HD2 PHE 54 HD2 PHE 54 18.458 17.696 0.927 412 HE1 PHE 54 HE1 PHE 54 17.103 19.834 -3.290 413 HE2 PHE 54 HE2 PHE 54 16.071 18.018 0.426 414 HZ PHE 54 HZ PHE 54 15.390 19.087 -1.686 415 H GLN 55 H GLN 55 23.522 17.947 -2.968 416 HA GLN 55 HA GLN 55 25.273 16.247 -1.698 417 HB2 GLN 55 2HB GLN 55 25.924 17.270 -3.752 418 HB3 GLN 55 3HB GLN 55 25.775 18.884 -3.071 419 HG2 GLN 55 2HG GLN 55 27.703 17.041 -1.788 420 HG3 GLN 55 3HG GLN 55 28.111 17.668 -3.384 421 HE21 GLN 55 1HE2 GLN 55 28.311 18.220 -0.129 422 HE22 GLN 55 2HE2 GLN 55 28.661 19.912 -0.153 423 H HIS 56 H HIS 56 24.387 19.540 -0.814 424 HA HIS 56 HA HIS 56 26.025 19.278 1.620 425 HB2 HIS 56 2HB HIS 56 26.281 21.247 -0.133 426 HB3 HIS 56 3HB HIS 56 24.913 21.912 0.755 427 HD1 HIS 56 HD1 HIS 56 26.468 23.843 1.589 428 HD2 HIS 56 HD2 HIS 56 27.575 20.045 2.859 429 HE1 HIS 56 HE1 HIS 56 28.124 24.211 3.445 430 H ASN 57 H ASN 57 25.089 20.545 3.520 431 HA ASN 57 HA ASN 57 22.250 19.835 3.756 432 HB2 ASN 57 2HB ASN 57 22.786 20.147 6.270 433 HB3 ASN 57 3HB ASN 57 23.413 18.719 5.453 434 HD21 ASN 57 1HD2 ASN 57 24.172 21.656 7.054 435 HD22 ASN 57 2HD2 ASN 57 25.890 21.476 7.043 436 H ASN 58 H ASN 58 23.331 22.312 2.525 437 HA ASN 58 HA ASN 58 21.797 24.205 4.157 438 HB2 ASN 58 2HB ASN 58 24.337 24.438 4.471 439 HB3 ASN 58 3HB ASN 58 24.364 25.036 2.815 440 HD21 ASN 58 1HD2 ASN 58 22.279 25.524 5.649 441 HD22 ASN 58 2HD2 ASN 58 22.325 27.250 5.595 442 H PHE 59 H PHE 59 21.683 22.627 1.481 443 HA PHE 59 HA PHE 59 20.901 22.937 -0.637 444 HB2 PHE 59 2HB PHE 59 19.528 25.053 0.974 445 HB3 PHE 59 3HB PHE 59 19.292 25.014 -0.770 446 HD1 PHE 59 HD2 PHE 59 19.509 22.375 1.861 447 HD2 PHE 59 HD1 PHE 59 17.250 24.124 -1.295 448 HE1 PHE 59 HE2 PHE 59 17.786 20.640 2.136 449 HE2 PHE 59 HE1 PHE 59 15.523 22.392 -1.023 450 HZ PHE 59 HZ PHE 59 15.791 20.646 0.693 451 H LYS 60 H LYS 60 23.475 24.125 -0.004 452 HA LYS 60 HA LYS 60 23.567 26.621 -1.478 453 HB2 LYS 60 2HB LYS 60 25.015 26.449 0.434 454 HB3 LYS 60 3HB LYS 60 25.706 24.945 -0.160 455 HG2 LYS 60 2HG LYS 60 25.955 27.318 -1.908 456 HG3 LYS 60 3HG LYS 60 26.918 27.296 -0.428 457 HD2 LYS 60 2HD LYS 60 27.280 24.763 -1.429 458 HD3 LYS 60 3HD LYS 60 27.220 25.754 -2.889 459 HE2 LYS 60 2HE LYS 60 29.484 25.718 -2.277 460 HE3 LYS 60 3HE LYS 60 28.891 27.281 -1.719 461 HZ1 LYS 60 3HZ LYS 60 28.512 25.432 0.339 462 HZ2 LYS 60 1HZ LYS 60 29.562 26.759 0.308 463 HZ3 LYS 60 2HZ LYS 60 30.098 25.244 -0.220 464 H GLY 61 H GLY 61 25.012 23.375 -1.815 465 HA2 GLY 61 2HA GLY 61 26.134 23.817 -4.359 466 HA3 GLY 61 3HA GLY 61 25.772 22.245 -3.662 467 H VAL 62 H VAL 62 25.251 21.663 -5.891 468 HA VAL 62 HA VAL 62 22.850 22.824 -7.034 469 HB VAL 62 HB VAL 62 23.206 21.153 -8.854 470 HG11 VAL 62 1HG1 VAL 62 25.091 23.275 -8.073 471 HG12 VAL 62 2HG1 VAL 62 25.664 22.167 -9.321 472 HG13 VAL 62 3HG1 VAL 62 24.166 23.066 -9.560 473 HG21 VAL 62 3HG2 VAL 62 25.892 20.436 -8.310 474 HG22 VAL 62 1HG2 VAL 62 24.923 19.987 -6.907 475 HG23 VAL 62 2HG2 VAL 62 24.495 19.378 -8.506 476 H ARG 63 H ARG 63 20.871 22.121 -6.609 477 HA ARG 63 HA ARG 63 20.496 19.642 -5.148 478 HB2 ARG 63 2HB ARG 63 18.190 20.374 -4.877 479 HB3 ARG 63 3HB ARG 63 19.294 21.677 -4.457 480 HG2 ARG 63 2HG ARG 63 18.909 22.706 -6.643 481 HG3 ARG 63 3HG ARG 63 17.792 21.403 -7.052 482 HD2 ARG 63 2HD ARG 63 16.234 22.084 -5.429 483 HD3 ARG 63 3HD ARG 63 17.412 23.111 -4.613 484 HE ARG 63 HE ARG 63 17.136 24.115 -7.175 485 HH11 ARG 63 1HH1 ARG 63 15.114 23.607 -4.387 486 HH12 ARG 63 2HH1 ARG 63 14.067 24.941 -4.741 487 HH21 ARG 63 1HH2 ARG 63 15.765 25.874 -7.652 488 HH22 ARG 63 2HH2 ARG 63 14.438 26.230 -6.598 489 H ASP 64 H ASP 64 19.713 17.791 -5.957 490 HA ASP 64 HA ASP 64 18.998 17.755 -8.808 491 HB2 ASP 64 2HB ASP 64 20.902 16.298 -7.637 492 HB3 ASP 64 3HB ASP 64 19.536 15.233 -7.318 493 H PHE 65 H PHE 65 17.527 15.696 -9.255 494 HA PHE 65 HA PHE 65 15.455 15.363 -7.249 495 HB2 PHE 65 2HB PHE 65 13.675 15.967 -8.964 496 HB3 PHE 65 3HB PHE 65 14.578 17.314 -8.278 497 HD1 PHE 65 HD1 PHE 65 16.250 18.498 -9.617 498 HD2 PHE 65 HD2 PHE 65 13.849 15.401 -11.277 499 HE1 PHE 65 HE1 PHE 65 16.851 19.250 -11.881 500 HE2 PHE 65 HE2 PHE 65 14.446 16.147 -13.543 501 HZ PHE 65 HZ PHE 65 15.950 18.074 -13.848 502 H TYR 66 H TYR 66 14.867 13.303 -7.235 503 HA TYR 66 HA TYR 66 15.044 11.769 -9.744 504 HB2 TYR 66 2HB TYR 66 16.293 11.270 -7.144 505 HB3 TYR 66 3HB TYR 66 15.388 9.889 -7.755 506 HD1 TYR 66 HD2 TYR 66 15.812 9.796 -10.549 507 HD2 TYR 66 HD1 TYR 66 18.548 11.019 -7.529 508 HE1 TYR 66 HE2 TYR 66 17.692 9.212 -12.024 509 HE2 TYR 66 HE1 TYR 66 20.436 10.440 -8.996 510 HH TYR 66 HH TYR 66 20.998 9.992 -11.184 511 H THR 67 H THR 67 13.317 10.560 -10.272 512 HA THR 67 HA THR 67 11.267 10.040 -8.240 513 HB THR 67 HB THR 67 10.439 10.960 -10.978 514 HG1 THR 67 HG1 THR 67 10.967 12.580 -8.692 515 HG21 THR 67 3HG2 THR 67 9.005 9.828 -9.009 516 HG22 THR 67 1HG2 THR 67 8.334 11.014 -10.127 517 HG23 THR 67 2HG2 THR 67 8.877 11.520 -8.527 518 H SER 68 H SER 68 13.266 8.364 -9.573 519 HA SER 68 HA SER 68 11.552 6.187 -10.277 520 HB2 SER 68 2HB SER 68 12.579 5.850 -12.559 521 HB3 SER 68 3HB SER 68 11.479 7.223 -12.439 522 HG SER 68 HG SER 68 13.084 8.536 -12.818 523 H ASP 69 H ASP 69 12.826 4.209 -10.815 524 HA ASP 69 HA ASP 69 14.755 3.670 -8.926 525 HB2 ASP 69 2HB ASP 69 14.096 2.367 -11.554 526 HB3 ASP 69 3HB ASP 69 15.410 1.758 -10.551 527 H ALA 70 H ALA 70 16.536 4.889 -8.695 528 HA ALA 70 HA ALA 70 18.199 5.388 -11.072 529 HB1 ALA 70 1HB ALA 70 18.331 6.829 -8.430 530 HB2 ALA 70 2HB ALA 70 19.128 7.276 -9.939 531 HB3 ALA 70 3HB ALA 70 17.372 7.374 -9.806 532 H ALA 71 H ALA 71 20.073 4.353 -11.252 533 HA ALA 71 HA ALA 71 21.096 2.896 -8.917 534 HB1 ALA 71 1HB ALA 71 22.345 2.317 -11.492 535 HB2 ALA 71 2HB ALA 71 21.659 1.223 -10.291 536 HB3 ALA 71 3HB ALA 71 20.607 2.018 -11.462 537 H GLU 72 H GLU 72 21.544 5.725 -9.216 538 HA GLU 72 HA GLU 72 24.293 5.844 -8.649 539 HB2 GLU 72 2HB GLU 72 23.928 5.679 -11.344 540 HB3 GLU 72 3HB GLU 72 23.918 7.422 -11.109 541 HG2 GLU 72 2HG GLU 72 26.072 6.460 -9.602 542 HG3 GLU 72 3HG GLU 72 26.129 5.600 -11.140 543 H LEU 73 H LEU 73 24.084 7.257 -7.038 544 HA LEU 73 HA LEU 73 22.143 9.183 -6.702 545 HB2 LEU 73 2HB LEU 73 24.764 8.604 -5.542 546 HB3 LEU 73 3HB LEU 73 24.296 10.299 -5.432 547 HG LEU 73 HG LEU 73 23.748 8.821 -3.444 548 HD11 LEU 73 1HD1 LEU 73 21.147 9.859 -4.170 549 HD12 LEU 73 2HD1 LEU 73 22.440 10.992 -4.560 550 HD13 LEU 73 3HD1 LEU 73 22.264 10.388 -2.913 551 HD21 LEU 73 3HD2 LEU 73 21.617 7.827 -5.334 552 HD22 LEU 73 1HD2 LEU 73 21.714 7.483 -3.607 553 HD23 LEU 73 2HD2 LEU 73 22.961 6.877 -4.698 554 H SER 74 H SER 74 22.261 11.524 -6.789 555 HA SER 74 HA SER 74 22.811 12.545 -9.284 556 HB2 SER 74 2HB SER 74 23.017 14.287 -6.840 557 HB3 SER 74 3HB SER 74 22.322 14.670 -8.415 558 HG SER 74 HG SER 74 20.611 13.259 -7.938 559 H ARG 75 H ARG 75 24.712 13.431 -6.400 560 HA ARG 75 HA ARG 75 27.013 13.925 -8.142 561 HB2 ARG 75 2HB ARG 75 26.007 15.472 -6.187 562 HB3 ARG 75 3HB ARG 75 27.153 14.531 -5.242 563 HG2 ARG 75 2HG ARG 75 28.467 16.293 -5.842 564 HG3 ARG 75 3HG ARG 75 28.798 15.190 -7.180 565 HD2 ARG 75 2HD ARG 75 27.827 16.540 -8.681 566 HD3 ARG 75 3HD ARG 75 26.468 16.894 -7.616 567 HE ARG 75 HE ARG 75 27.515 18.827 -6.999 568 HH11 ARG 75 1HH1 ARG 75 29.855 16.694 -8.446 569 HH12 ARG 75 2HH1 ARG 75 31.126 17.871 -8.438 570 HH21 ARG 75 1HH2 ARG 75 29.180 20.385 -6.982 571 HH22 ARG 75 2HH2 ARG 75 30.741 19.970 -7.604 572 H ASP 76 H ASP 76 28.669 12.561 -8.236 573 HA ASP 76 HA ASP 76 28.709 10.060 -7.056 574 HB2 ASP 76 2HB ASP 76 30.835 11.768 -8.304 575 HB3 ASP 76 3HB ASP 76 31.271 10.235 -7.555 576 H ASN 77 H ASN 77 28.782 9.577 -4.969 577 HA ASN 77 HA ASN 77 29.240 9.674 -2.736 578 HB2 ASN 77 2HB ASN 77 31.855 10.099 -4.108 579 HB3 ASN 77 3HB ASN 77 31.793 10.315 -2.361 580 HD21 ASN 77 1HD2 ASN 77 30.461 8.037 -4.740 581 HD22 ASN 77 2HD2 ASN 77 30.922 6.611 -3.880 582 H ASP 78 H ASP 78 27.776 11.698 -2.984 583 HA ASP 78 HA ASP 78 28.776 13.676 -1.225 584 HB2 ASP 78 2HB ASP 78 29.055 14.175 -4.098 585 HB3 ASP 78 3HB ASP 78 28.179 15.446 -3.249 586 H ALA 79 H ALA 79 26.823 12.890 -0.243 587 HA ALA 79 HA ALA 79 24.482 14.390 -1.149 588 HB1 ALA 79 1HB ALA 79 23.026 12.594 -1.226 589 HB2 ALA 79 2HB ALA 79 24.487 11.925 -1.954 590 HB3 ALA 79 3HB ALA 79 24.090 11.557 -0.275 591 H SER 80 H SER 80 25.086 15.719 0.670 592 HA SER 80 HA SER 80 25.225 14.731 3.315 593 HB2 SER 80 2HB SER 80 26.198 16.867 2.868 594 HB3 SER 80 3HB SER 80 24.687 17.490 2.206 595 HG SER 80 HG SER 80 25.462 17.824 4.608 596 H SER 81 H SER 81 22.672 16.796 1.924 597 HA SER 81 HA SER 81 20.759 15.504 3.747 598 HB2 SER 81 2HB SER 81 20.756 17.825 4.181 599 HB3 SER 81 3HB SER 81 20.823 18.232 2.466 600 HG SER 81 HG SER 81 18.736 18.499 2.882 601 H VAL 82 H VAL 82 18.584 15.115 2.951 602 HA VAL 82 HA VAL 82 18.288 14.927 0.053 603 HB VAL 82 HB VAL 82 17.400 12.567 0.314 604 HG11 VAL 82 1HG1 VAL 82 19.697 11.564 0.310 605 HG12 VAL 82 2HG1 VAL 82 19.478 12.917 -0.801 606 HG13 VAL 82 3HG1 VAL 82 20.324 13.158 0.728 607 HG21 VAL 82 3HG2 VAL 82 17.637 11.379 2.230 608 HG22 VAL 82 1HG2 VAL 82 19.122 12.212 2.691 609 HG23 VAL 82 2HG2 VAL 82 17.559 12.984 2.956 610 H ARG 83 H ARG 83 16.048 14.298 -0.567 611 HA ARG 83 HA ARG 83 14.066 14.961 1.497 612 HB2 ARG 83 2HB ARG 83 14.812 16.736 -0.477 613 HB3 ARG 83 3HB ARG 83 13.386 15.971 -1.164 614 HG2 ARG 83 2HG ARG 83 12.008 17.043 0.222 615 HG3 ARG 83 3HG ARG 83 13.040 16.745 1.622 616 HD2 ARG 83 2HD ARG 83 14.329 18.649 1.227 617 HD3 ARG 83 3HD ARG 83 13.794 18.774 -0.449 618 HE ARG 83 HE ARG 83 11.697 19.110 1.499 619 HH11 ARG 83 1HH1 ARG 83 14.167 20.682 -0.383 620 HH12 ARG 83 2HH1 ARG 83 13.413 22.240 -0.313 621 HH21 ARG 83 1HH2 ARG 83 10.693 21.156 1.599 622 HH22 ARG 83 2HH2 ARG 83 11.437 22.509 0.816 623 H VAL 84 H VAL 84 12.209 13.799 1.420 624 HA VAL 84 HA VAL 84 11.716 12.104 -0.926 625 HB VAL 84 HB VAL 84 11.306 10.153 0.388 626 HG11 VAL 84 1HG1 VAL 84 13.488 9.621 1.136 627 HG12 VAL 84 2HG1 VAL 84 13.687 10.777 -0.182 628 HG13 VAL 84 3HG1 VAL 84 13.855 11.308 1.492 629 HG21 VAL 84 3HG2 VAL 84 10.351 10.640 2.384 630 HG22 VAL 84 1HG2 VAL 84 12.012 10.474 2.954 631 HG23 VAL 84 2HG2 VAL 84 11.345 12.075 2.634 632 H SER 85 H SER 85 9.605 11.845 -1.457 633 HA SER 85 HA SER 85 7.478 12.372 0.403 634 HB2 SER 85 2HB SER 85 7.478 14.190 -1.980 635 HB3 SER 85 3HB SER 85 6.636 14.368 -0.441 636 HG SER 85 HG SER 85 8.690 14.766 0.522 637 H LYS 86 H LYS 86 5.305 12.304 -0.779 638 HA LYS 86 HA LYS 86 5.468 10.200 -2.822 639 HB2 LYS 86 2HB LYS 86 3.260 10.966 -0.908 640 HB3 LYS 86 3HB LYS 86 3.066 9.776 -2.188 641 HG2 LYS 86 2HG LYS 86 3.609 8.344 -0.541 642 HG3 LYS 86 3HG LYS 86 5.256 8.792 -0.994 643 HD2 LYS 86 2HD LYS 86 5.335 9.102 1.282 644 HD3 LYS 86 3HD LYS 86 4.876 10.719 0.746 645 HE2 LYS 86 2HE LYS 86 2.555 9.043 1.122 646 HE3 LYS 86 3HE LYS 86 3.537 9.105 2.585 647 HZ1 LYS 86 3HZ LYS 86 1.787 11.047 1.598 648 HZ2 LYS 86 1HZ LYS 86 3.349 11.693 1.533 649 HZ3 LYS 86 2HZ LYS 86 2.735 11.110 2.997 650 H MET 87 H MET 87 5.133 10.802 -4.849 651 HA MET 87 HA MET 87 3.928 13.339 -5.480 652 HB2 MET 87 2HB MET 87 5.679 11.517 -6.771 653 HB3 MET 87 3HB MET 87 4.266 11.700 -7.802 654 HG2 MET 87 2HG MET 87 5.748 14.056 -6.686 655 HG3 MET 87 3HG MET 87 6.207 13.278 -8.200 656 HE1 MET 87 3HE MET 87 5.587 15.772 -9.755 657 HE2 MET 87 1HE MET 87 5.709 14.057 -10.149 658 HE3 MET 87 2HE MET 87 4.324 14.993 -10.709 659 H GLU 88 H GLU 88 3.222 10.069 -6.723 660 HA GLU 88 HA GLU 88 0.465 10.871 -7.200 661 HB2 GLU 88 2HB GLU 88 1.688 8.182 -7.797 662 HB3 GLU 88 3HB GLU 88 0.257 8.904 -8.518 663 HG2 GLU 88 2HG GLU 88 1.692 10.625 -9.554 664 HG3 GLU 88 3HG GLU 88 3.105 9.796 -8.901 665 H THR 89 H THR 89 0.931 10.842 -4.535 666 HA THR 89 HA THR 89 0.553 8.447 -3.160 667 HB THR 89 HB THR 89 1.169 10.552 -2.043 668 HG1 THR 89 HG1 THR 89 -1.277 9.782 -0.875 669 HG21 THR 89 3HG2 THR 89 -1.717 11.330 -2.478 670 HG22 THR 89 1HG2 THR 89 -0.328 12.054 -3.289 671 HG23 THR 89 2HG2 THR 89 -0.524 12.235 -1.546 672 H THR 90 H THR 90 -1.680 10.365 -4.976 673 HA THR 90 HA THR 90 -4.007 9.037 -3.832 674 HB THR 90 HB THR 90 -5.353 10.502 -5.185 675 HG1 THR 90 HG1 THR 90 -3.016 11.624 -6.331 676 HG21 THR 90 3HG2 THR 90 -4.938 12.426 -4.038 677 HG22 THR 90 1HG2 THR 90 -3.216 12.411 -4.417 678 HG23 THR 90 2HG2 THR 90 -3.849 11.361 -3.150 679 H ASN 91 H ASN 91 -5.707 8.671 -5.851 680 HA ASN 91 HA ASN 91 -4.574 7.375 -8.124 681 HB2 ASN 91 2HB ASN 91 -5.348 5.083 -7.583 682 HB3 ASN 91 3HB ASN 91 -4.068 5.632 -6.505 683 HD21 ASN 91 1HD2 ASN 91 -7.436 4.854 -6.799 684 HD22 ASN 91 2HD2 ASN 91 -7.781 4.801 -5.107 Start of MODEL 12 1 H GLY 1 H GLY 1 -0.085 -1.636 -1.742 2 HA2 GLY 1 2HA GLY 1 -0.259 0.290 0.245 3 HA3 GLY 1 3HA GLY 1 0.632 -1.053 0.946 4 H GLU 2 H GLU 2 2.760 -0.916 0.782 5 HA GLU 2 HA GLU 2 4.836 -0.246 0.130 6 HB2 GLU 2 2HB GLU 2 3.472 -0.595 -2.534 7 HB3 GLU 2 3HB GLU 2 5.174 -0.178 -2.401 8 HG2 GLU 2 2HG GLU 2 4.039 -2.583 -1.024 9 HG3 GLU 2 3HG GLU 2 4.559 -2.635 -2.707 10 H LYS 3 H LYS 3 4.737 1.802 1.105 11 HA LYS 3 HA LYS 3 4.593 4.011 -0.822 12 HB2 LYS 3 2HB LYS 3 3.534 5.409 0.996 13 HB3 LYS 3 3HB LYS 3 2.498 4.177 0.288 14 HG2 LYS 3 2HG LYS 3 4.009 3.378 2.690 15 HG3 LYS 3 3HG LYS 3 2.737 4.579 2.924 16 HD2 LYS 3 2HD LYS 3 1.069 3.120 2.370 17 HD3 LYS 3 3HD LYS 3 2.099 2.187 1.281 18 HE2 LYS 3 2HE LYS 3 2.010 0.678 2.960 19 HE3 LYS 3 3HE LYS 3 3.317 1.663 3.614 20 HZ1 LYS 3 3HZ LYS 3 0.991 1.072 4.883 21 HZ2 LYS 3 1HZ LYS 3 0.717 2.643 4.319 22 HZ3 LYS 3 2HZ LYS 3 2.052 2.320 5.306 23 H THR 4 H THR 4 6.964 2.990 -0.260 24 HA THR 4 HA THR 4 8.212 5.072 1.356 25 HB THR 4 HB THR 4 9.562 3.583 2.658 26 HG1 THR 4 HG1 THR 4 8.868 1.200 2.391 27 HG21 THR 4 3HG2 THR 4 7.936 2.583 4.089 28 HG22 THR 4 1HG2 THR 4 6.763 2.468 2.779 29 HG23 THR 4 2HG2 THR 4 7.210 4.046 3.426 30 H VAL 5 H VAL 5 10.711 4.783 1.201 31 HA VAL 5 HA VAL 5 11.357 4.077 -1.589 32 HB VAL 5 HB VAL 5 11.535 6.447 -1.365 33 HG11 VAL 5 1HG1 VAL 5 12.844 7.550 0.344 34 HG12 VAL 5 2HG1 VAL 5 11.638 6.508 1.101 35 HG13 VAL 5 3HG1 VAL 5 13.324 5.994 1.021 36 HG21 VAL 5 3HG2 VAL 5 14.395 5.675 -1.036 37 HG22 VAL 5 1HG2 VAL 5 13.476 4.996 -2.379 38 HG23 VAL 5 2HG2 VAL 5 13.645 6.744 -2.221 39 H LYS 6 H LYS 6 13.268 3.002 -2.014 40 HA LYS 6 HA LYS 6 14.663 1.921 0.346 41 HB2 LYS 6 2HB LYS 6 14.022 0.657 -2.315 42 HB3 LYS 6 3HB LYS 6 15.231 -0.011 -1.226 43 HG2 LYS 6 2HG LYS 6 13.548 -0.314 0.496 44 HG3 LYS 6 3HG LYS 6 12.326 0.414 -0.550 45 HD2 LYS 6 2HD LYS 6 13.620 -1.678 -1.987 46 HD3 LYS 6 3HD LYS 6 13.136 -2.300 -0.407 47 HE2 LYS 6 2HE LYS 6 11.332 -0.849 -2.343 48 HE3 LYS 6 3HE LYS 6 11.389 -2.597 -2.120 49 HZ1 LYS 6 3HZ LYS 6 10.131 -0.575 -0.494 50 HZ2 LYS 6 1HZ LYS 6 11.021 -1.709 0.393 51 HZ3 LYS 6 2HZ LYS 6 9.781 -2.224 -0.634 52 H LEU 7 H LEU 7 16.684 2.593 0.569 53 HA LEU 7 HA LEU 7 18.181 3.377 -1.846 54 HB2 LEU 7 2HB LEU 7 17.768 4.702 0.714 55 HB3 LEU 7 3HB LEU 7 19.471 4.568 0.279 56 HG LEU 7 HG LEU 7 18.565 5.550 -2.019 57 HD11 LEU 7 1HD1 LEU 7 16.440 6.183 -1.939 58 HD12 LEU 7 2HD1 LEU 7 16.909 7.407 -0.760 59 HD13 LEU 7 3HD1 LEU 7 16.338 5.830 -0.214 60 HD21 LEU 7 3HD2 LEU 7 19.811 7.305 -1.430 61 HD22 LEU 7 1HD2 LEU 7 20.027 6.487 0.118 62 HD23 LEU 7 2HD2 LEU 7 18.761 7.702 -0.069 63 H TYR 8 H TYR 8 20.223 2.601 -2.132 64 HA TYR 8 HA TYR 8 21.344 0.887 -0.024 65 HB2 TYR 8 2HB TYR 8 21.456 0.124 -2.937 66 HB3 TYR 8 3HB TYR 8 21.826 -0.872 -1.534 67 HD1 TYR 8 HD2 TYR 8 19.105 0.649 -3.501 68 HD2 TYR 8 HD1 TYR 8 20.100 -2.032 -0.351 69 HE1 TYR 8 HE2 TYR 8 16.803 -0.214 -3.516 70 HE2 TYR 8 HE1 TYR 8 17.801 -2.904 -0.358 71 HH TYR 8 HH TYR 8 15.702 -2.531 -2.784 72 H GLU 9 H GLU 9 23.573 0.832 0.109 73 HA GLU 9 HA GLU 9 24.940 3.098 -0.986 74 HB2 GLU 9 2HB GLU 9 26.815 2.401 0.335 75 HB3 GLU 9 3HB GLU 9 25.362 2.166 1.297 76 HG2 GLU 9 2HG GLU 9 25.581 -0.264 0.154 77 HG3 GLU 9 3HG GLU 9 27.279 0.201 0.249 78 H ASP 10 H ASP 10 24.844 -0.345 -1.648 79 HA ASP 10 HA ASP 10 27.007 -0.166 -3.579 80 HB2 ASP 10 2HB ASP 10 25.883 -2.236 -2.020 81 HB3 ASP 10 3HB ASP 10 25.576 -2.658 -3.702 82 H THR 11 H THR 11 26.791 -0.491 -5.796 83 HA THR 11 HA THR 11 24.604 0.693 -7.050 84 HB THR 11 HB THR 11 25.543 0.021 -9.137 85 HG1 THR 11 HG1 THR 11 27.253 -1.614 -9.124 86 HG21 THR 11 3HG2 THR 11 27.061 1.242 -7.136 87 HG22 THR 11 1HG2 THR 11 27.343 1.313 -8.875 88 HG23 THR 11 2HG2 THR 11 28.152 0.086 -7.900 89 H HIS 12 H HIS 12 23.268 -0.403 -8.794 90 HA HIS 12 HA HIS 12 21.648 -1.880 -9.408 91 HB2 HIS 12 2HB HIS 12 23.790 -3.564 -8.356 92 HB3 HIS 12 3HB HIS 12 22.199 -4.301 -8.187 93 HD1 HIS 12 HD1 HIS 12 23.462 -2.193 -11.079 94 HD2 HIS 12 HD2 HIS 12 22.199 -6.065 -10.259 95 HE1 HIS 12 HE1 HIS 12 23.369 -3.356 -13.307 96 H PHE 13 H PHE 13 22.354 -3.451 -6.323 97 HA PHE 13 HA PHE 13 20.385 -2.134 -4.799 98 HB2 PHE 13 2HB PHE 13 18.787 -4.128 -4.671 99 HB3 PHE 13 3HB PHE 13 18.698 -3.129 -6.117 100 HD1 PHE 13 HD2 PHE 13 20.232 -6.249 -4.805 101 HD2 PHE 13 HD1 PHE 13 18.862 -4.100 -8.214 102 HE1 PHE 13 HE2 PHE 13 20.579 -8.246 -6.199 103 HE2 PHE 13 HE1 PHE 13 19.206 -6.094 -9.613 104 HZ PHE 13 HZ PHE 13 20.067 -8.170 -8.606 105 H LYS 14 H LYS 14 23.089 -3.236 -4.642 106 HA LYS 14 HA LYS 14 22.798 -5.301 -2.581 107 HB2 LYS 14 2HB LYS 14 24.975 -4.469 -4.422 108 HB3 LYS 14 3HB LYS 14 25.459 -5.078 -2.845 109 HG2 LYS 14 2HG LYS 14 25.480 -6.964 -4.195 110 HG3 LYS 14 3HG LYS 14 23.927 -7.069 -3.363 111 HD2 LYS 14 2HD LYS 14 22.805 -6.970 -5.287 112 HD3 LYS 14 3HD LYS 14 23.707 -5.546 -5.811 113 HE2 LYS 14 2HE LYS 14 24.950 -8.268 -5.927 114 HE3 LYS 14 3HE LYS 14 23.859 -7.727 -7.201 115 HZ1 LYS 14 3HZ LYS 14 26.574 -6.953 -6.667 116 HZ2 LYS 14 1HZ LYS 14 25.544 -5.632 -6.909 117 HZ3 LYS 14 2HZ LYS 14 25.676 -6.830 -8.095 118 H GLY 15 H GLY 15 24.497 -5.088 -0.758 119 HA2 GLY 15 2HA GLY 15 25.534 -3.817 0.899 120 HA3 GLY 15 3HA GLY 15 25.083 -2.359 0.029 121 H TYR 16 H TYR 16 24.711 -1.862 2.450 122 HA TYR 16 HA TYR 16 22.468 -2.921 3.781 123 HB2 TYR 16 2HB TYR 16 24.426 -1.422 4.654 124 HB3 TYR 16 3HB TYR 16 23.367 -0.091 4.203 125 HD1 TYR 16 HD1 TYR 16 23.365 -3.251 6.187 126 HD2 TYR 16 HD2 TYR 16 21.797 0.678 5.730 127 HE1 TYR 16 HE1 TYR 16 22.174 -3.484 8.326 128 HE2 TYR 16 HE2 TYR 16 20.603 0.456 7.869 129 HH TYR 16 HH TYR 16 19.717 -1.814 9.254 130 H SER 17 H SER 17 20.414 -1.932 4.188 131 HA SER 17 HA SER 17 19.487 -0.245 1.954 132 HB2 SER 17 2HB SER 17 17.198 -1.405 2.827 133 HB3 SER 17 3HB SER 17 18.201 -2.075 1.540 134 HG SER 17 HG SER 17 18.204 -3.754 2.825 135 H VAL 18 H VAL 18 18.174 1.488 2.391 136 HA VAL 18 HA VAL 18 17.465 2.007 5.191 137 HB VAL 18 HB VAL 18 19.616 3.176 4.632 138 HG11 VAL 18 1HG1 VAL 18 19.537 5.131 3.183 139 HG12 VAL 18 2HG1 VAL 18 19.111 3.673 2.285 140 HG13 VAL 18 3HG1 VAL 18 17.850 4.795 2.799 141 HG21 VAL 18 3HG2 VAL 18 18.955 4.510 6.281 142 HG22 VAL 18 1HG2 VAL 18 18.111 5.523 5.110 143 HG23 VAL 18 2HG2 VAL 18 17.266 4.186 5.890 144 H GLU 19 H GLU 19 15.527 2.981 5.475 145 HA GLU 19 HA GLU 19 14.076 3.795 3.042 146 HB2 GLU 19 2HB GLU 19 12.027 3.064 4.091 147 HB3 GLU 19 3HB GLU 19 13.191 1.748 4.128 148 HG2 GLU 19 2HG GLU 19 12.834 3.589 6.463 149 HG3 GLU 19 3HG GLU 19 11.798 2.183 6.222 150 H LEU 20 H LEU 20 12.875 5.671 3.072 151 HA LEU 20 HA LEU 20 12.761 7.249 5.516 152 HB2 LEU 20 2HB LEU 20 13.512 9.154 3.681 153 HB3 LEU 20 3HB LEU 20 14.524 8.480 4.957 154 HG LEU 20 HG LEU 20 14.432 7.124 2.298 155 HD11 LEU 20 1HD1 LEU 20 15.241 8.880 1.215 156 HD12 LEU 20 2HD1 LEU 20 16.640 8.855 2.288 157 HD13 LEU 20 3HD1 LEU 20 15.238 9.846 2.691 158 HD21 LEU 20 3HD2 LEU 20 16.963 7.482 3.700 159 HD22 LEU 20 1HD2 LEU 20 16.207 6.015 3.078 160 HD23 LEU 20 2HD2 LEU 20 15.745 6.642 4.660 161 HA PRO 21 HA PRO 21 8.805 7.668 3.366 162 HB2 PRO 21 2HB PRO 21 7.441 8.435 5.585 163 HB3 PRO 21 3HB PRO 21 7.811 6.745 5.221 164 HG2 PRO 21 2HG PRO 21 9.211 8.634 7.073 165 HG3 PRO 21 3HG PRO 21 8.788 6.930 7.323 166 HD2 PRO 21 2HD PRO 21 11.282 7.725 6.631 167 HD3 PRO 21 3HD PRO 21 10.596 6.173 6.110 168 H VAL 22 H VAL 22 7.147 9.515 3.449 169 HA VAL 22 HA VAL 22 8.088 11.824 2.456 170 HB VAL 22 HB VAL 22 5.716 11.423 2.537 171 HG11 VAL 22 1HG1 VAL 22 6.203 10.927 5.287 172 HG12 VAL 22 2HG1 VAL 22 5.020 12.232 5.169 173 HG13 VAL 22 3HG1 VAL 22 4.713 10.687 4.374 174 HG21 VAL 22 3HG2 VAL 22 6.868 13.858 2.843 175 HG22 VAL 22 1HG2 VAL 22 5.148 13.600 2.554 176 HG23 VAL 22 2HG2 VAL 22 5.738 13.848 4.197 177 H GLY 23 H GLY 23 9.511 13.281 3.127 178 HA2 GLY 23 2HA GLY 23 9.438 14.974 5.194 179 HA3 GLY 23 3HA GLY 23 10.104 13.541 5.962 180 H ASP 24 H ASP 24 11.678 15.618 6.133 181 HA ASP 24 HA ASP 24 13.669 15.290 3.985 182 HB2 ASP 24 2HB ASP 24 14.449 17.604 5.089 183 HB3 ASP 24 3HB ASP 24 13.267 17.527 3.786 184 H TYR 25 H TYR 25 15.796 14.942 4.534 185 HA TYR 25 HA TYR 25 16.393 14.630 7.398 186 HB2 TYR 25 2HB TYR 25 17.466 12.748 5.306 187 HB3 TYR 25 3HB TYR 25 17.459 12.548 7.055 188 HD1 TYR 25 HD1 TYR 25 15.199 12.736 4.105 189 HD2 TYR 25 HD2 TYR 25 15.730 11.372 8.100 190 HE1 TYR 25 HE1 TYR 25 13.100 11.465 3.943 191 HE2 TYR 25 HE2 TYR 25 13.632 10.096 7.948 192 HH TYR 25 HH TYR 25 11.321 10.586 5.970 193 H ASN 26 H ASN 26 18.318 15.407 8.061 194 HA ASN 26 HA ASN 26 19.971 16.744 6.050 195 HB2 ASN 26 2HB ASN 26 20.214 16.992 9.049 196 HB3 ASN 26 3HB ASN 26 20.828 18.093 7.819 197 HD21 ASN 26 1HD2 ASN 26 18.727 18.467 6.188 198 HD22 ASN 26 2HD2 ASN 26 17.417 19.204 7.040 199 H LEU 27 H LEU 27 22.384 16.908 7.301 200 HA LEU 27 HA LEU 27 23.631 14.507 6.608 201 HB2 LEU 27 2HB LEU 27 24.988 16.395 6.578 202 HB3 LEU 27 3HB LEU 27 24.482 16.901 8.188 203 HG LEU 27 HG LEU 27 25.918 14.351 8.149 204 HD11 LEU 27 1HD1 LEU 27 27.329 16.876 7.299 205 HD12 LEU 27 2HD1 LEU 27 27.122 15.413 6.335 206 HD13 LEU 27 3HD1 LEU 27 28.120 15.377 7.789 207 HD21 LEU 27 3HD2 LEU 27 27.244 15.806 9.876 208 HD22 LEU 27 1HD2 LEU 27 25.629 15.211 10.259 209 HD23 LEU 27 2HD2 LEU 27 25.851 16.879 9.730 210 H SER 28 H SER 28 22.711 15.777 9.788 211 HA SER 28 HA SER 28 23.776 13.587 11.256 212 HB2 SER 28 2HB SER 28 22.387 16.051 11.832 213 HB3 SER 28 3HB SER 28 21.701 14.728 12.776 214 HG SER 28 HG SER 28 24.058 14.249 13.208 215 H SER 29 H SER 29 20.649 14.291 9.825 216 HA SER 29 HA SER 29 19.193 12.221 11.079 217 HB2 SER 29 2HB SER 29 18.674 13.450 8.362 218 HB3 SER 29 3HB SER 29 17.505 12.606 9.378 219 HG SER 29 HG SER 29 17.232 14.364 10.498 220 H LEU 30 H LEU 30 21.328 12.295 8.331 221 HA LEU 30 HA LEU 30 20.545 9.919 7.062 222 HB2 LEU 30 2HB LEU 30 23.059 11.522 7.153 223 HB3 LEU 30 3HB LEU 30 23.081 9.928 6.401 224 HG LEU 30 HG LEU 30 21.076 11.980 5.542 225 HD11 LEU 30 1HD1 LEU 30 22.527 13.087 4.171 226 HD12 LEU 30 2HD1 LEU 30 23.664 11.741 4.098 227 HD13 LEU 30 3HD1 LEU 30 23.592 12.757 5.537 228 HD21 LEU 30 3HD2 LEU 30 20.593 10.493 3.960 229 HD22 LEU 30 1HD2 LEU 30 21.587 9.341 4.852 230 HD23 LEU 30 2HD2 LEU 30 22.294 10.283 3.540 231 H ILE 31 H ILE 31 23.021 10.500 9.546 232 HA ILE 31 HA ILE 31 23.646 7.705 9.789 233 HB ILE 31 HB ILE 31 24.411 10.031 11.556 234 HG12 ILE 31 2HG1 ILE 31 26.691 9.412 10.369 235 HG13 ILE 31 3HG1 ILE 31 25.620 8.767 9.131 236 HG21 ILE 31 1HG2 ILE 31 25.009 8.447 13.010 237 HG22 ILE 31 2HG2 ILE 31 24.791 7.160 11.826 238 HG23 ILE 31 3HG2 ILE 31 26.305 8.062 11.877 239 HD11 ILE 31 3HD1 ILE 31 26.447 11.153 8.854 240 HD12 ILE 31 1HD1 ILE 31 24.718 10.867 8.660 241 HD13 ILE 31 2HD1 ILE 31 25.334 11.565 10.158 242 H SER 32 H SER 32 21.472 9.943 11.311 243 HA SER 32 HA SER 32 21.008 8.522 13.708 244 HB2 SER 32 2HB SER 32 19.977 10.868 12.417 245 HB3 SER 32 3HB SER 32 18.630 9.883 12.987 246 HG SER 32 HG SER 32 20.828 10.816 14.521 247 H ARG 33 H ARG 33 19.925 8.066 10.462 248 HA ARG 33 HA ARG 33 17.876 6.154 11.331 249 HB2 ARG 33 2HB ARG 33 18.268 7.832 8.934 250 HB3 ARG 33 3HB ARG 33 17.641 6.218 8.628 251 HG2 ARG 33 2HG ARG 33 15.631 7.050 9.061 252 HG3 ARG 33 3HG ARG 33 16.124 7.121 10.754 253 HD2 ARG 33 2HD ARG 33 16.893 9.394 10.475 254 HD3 ARG 33 3HD ARG 33 16.550 9.330 8.747 255 HE ARG 33 HE ARG 33 14.148 8.802 9.832 256 HH11 ARG 33 1HH1 ARG 33 16.496 11.302 10.428 257 HH12 ARG 33 2HH1 ARG 33 15.315 12.481 10.893 258 HH21 ARG 33 1HH2 ARG 33 12.584 10.345 10.443 259 HH22 ARG 33 2HH2 ARG 33 13.090 11.936 10.903 260 H GLY 34 H GLY 34 20.968 5.914 11.103 261 HA2 GLY 34 2HA GLY 34 22.371 4.113 10.791 262 HA3 GLY 34 3HA GLY 34 20.961 3.159 10.353 263 H ALA 35 H ALA 35 22.107 6.118 8.797 264 HA ALA 35 HA ALA 35 22.849 4.534 6.432 265 HB1 ALA 35 1HB ALA 35 21.832 6.857 5.361 266 HB2 ALA 35 2HB ALA 35 21.019 5.292 5.405 267 HB3 ALA 35 3HB ALA 35 20.704 6.486 6.665 268 H LEU 36 H LEU 36 23.889 6.164 4.753 269 HA LEU 36 HA LEU 36 25.786 7.859 6.240 270 HB2 LEU 36 2HB LEU 36 27.340 7.278 4.259 271 HB3 LEU 36 3HB LEU 36 27.125 6.112 5.563 272 HG LEU 36 HG LEU 36 25.385 5.005 4.060 273 HD11 LEU 36 1HD1 LEU 36 26.688 6.875 2.099 274 HD12 LEU 36 2HD1 LEU 36 24.971 6.686 2.451 275 HD13 LEU 36 3HD1 LEU 36 25.845 5.404 1.615 276 HD21 LEU 36 3HD2 LEU 36 27.217 3.933 2.659 277 HD22 LEU 36 1HD2 LEU 36 27.418 3.877 4.411 278 HD23 LEU 36 2HD2 LEU 36 28.329 5.048 3.456 279 H ASN 37 H ASN 37 27.040 9.258 4.448 280 HA ASN 37 HA ASN 37 24.929 10.605 2.898 281 HB2 ASN 37 2HB ASN 37 26.742 12.540 3.064 282 HB3 ASN 37 3HB ASN 37 25.578 12.257 4.355 283 HD21 ASN 37 1HD2 ASN 37 26.263 11.416 6.294 284 HD22 ASN 37 2HD2 ASN 37 27.932 11.278 6.717 285 H ASP 38 H ASP 38 28.493 10.502 2.845 286 HA ASP 38 HA ASP 38 28.438 10.541 -0.064 287 HB2 ASP 38 2HB ASP 38 30.987 10.621 0.271 288 HB3 ASP 38 3HB ASP 38 30.051 12.019 0.794 289 H ASP 39 H ASP 39 27.587 8.438 -0.421 290 HA ASP 39 HA ASP 39 29.480 6.464 -0.947 291 HB2 ASP 39 2HB ASP 39 28.791 6.507 1.778 292 HB3 ASP 39 3HB ASP 39 27.926 5.135 1.092 293 H LEU 40 H LEU 40 26.148 7.248 -0.204 294 HA LEU 40 HA LEU 40 24.790 5.078 -1.200 295 HB2 LEU 40 2HB LEU 40 24.201 7.784 -0.573 296 HB3 LEU 40 3HB LEU 40 23.462 7.414 -2.130 297 HG LEU 40 HG LEU 40 21.896 7.077 -0.291 298 HD11 LEU 40 1HD1 LEU 40 22.755 4.921 -2.093 299 HD12 LEU 40 2HD1 LEU 40 21.166 5.653 -1.868 300 HD13 LEU 40 3HD1 LEU 40 21.734 4.417 -0.745 301 HD21 LEU 40 3HD2 LEU 40 22.374 5.024 1.182 302 HD22 LEU 40 1HD2 LEU 40 23.183 6.541 1.574 303 HD23 LEU 40 2HD2 LEU 40 24.060 5.269 0.724 304 H SER 41 H SER 41 24.760 4.089 -3.098 305 HA SER 41 HA SER 41 25.300 5.666 -5.525 306 HB2 SER 41 2HB SER 41 27.240 4.185 -4.741 307 HB3 SER 41 3HB SER 41 26.225 2.814 -5.189 308 HG SER 41 HG SER 41 26.063 4.155 -7.280 309 H SER 42 H SER 42 23.073 3.939 -3.904 310 HA SER 42 HA SER 42 21.656 3.244 -6.371 311 HB2 SER 42 2HB SER 42 22.456 1.374 -4.205 312 HB3 SER 42 3HB SER 42 20.824 1.190 -4.848 313 HG SER 42 HG SER 42 22.011 1.290 -6.984 314 H ALA 43 H ALA 43 19.549 3.779 -6.346 315 HA ALA 43 HA ALA 43 18.109 4.097 -3.854 316 HB1 ALA 43 1HB ALA 43 17.495 6.427 -4.252 317 HB2 ALA 43 2HB ALA 43 19.238 6.251 -4.051 318 HB3 ALA 43 3HB ALA 43 18.554 6.470 -5.662 319 H ARG 44 H ARG 44 16.323 2.982 -4.290 320 HA ARG 44 HA ARG 44 15.012 3.406 -6.896 321 HB2 ARG 44 2HB ARG 44 15.837 1.129 -6.710 322 HB3 ARG 44 3HB ARG 44 15.037 0.935 -5.156 323 HG2 ARG 44 2HG ARG 44 13.345 1.672 -7.472 324 HG3 ARG 44 3HG ARG 44 13.996 0.032 -7.421 325 HD2 ARG 44 2HD ARG 44 13.122 0.071 -4.962 326 HD3 ARG 44 3HD ARG 44 12.101 1.384 -5.549 327 HE ARG 44 HE ARG 44 10.835 -0.156 -6.666 328 HH11 ARG 44 1HH1 ARG 44 13.882 -1.605 -5.809 329 HH12 ARG 44 2HH1 ARG 44 13.420 -3.194 -6.323 330 HH21 ARG 44 1HH2 ARG 44 10.214 -2.243 -7.346 331 HH22 ARG 44 2HH2 ARG 44 11.333 -3.555 -7.198 332 H VAL 45 H VAL 45 12.915 4.005 -6.915 333 HA VAL 45 HA VAL 45 11.438 3.984 -4.370 334 HB VAL 45 HB VAL 45 10.607 6.189 -4.695 335 HG11 VAL 45 1HG1 VAL 45 12.444 7.154 -3.887 336 HG12 VAL 45 2HG1 VAL 45 13.293 5.652 -4.258 337 HG13 VAL 45 3HG1 VAL 45 13.296 6.979 -5.420 338 HG21 VAL 45 3HG2 VAL 45 11.837 5.946 -7.414 339 HG22 VAL 45 1HG2 VAL 45 10.198 6.419 -6.968 340 HG23 VAL 45 2HG2 VAL 45 11.540 7.531 -6.701 341 HA PRO 46 HA PRO 46 8.109 2.277 -6.673 342 HB2 PRO 46 2HB PRO 46 5.994 3.184 -5.233 343 HB3 PRO 46 3HB PRO 46 7.074 1.910 -4.655 344 HG2 PRO 46 2HG PRO 46 7.058 4.827 -3.984 345 HG3 PRO 46 3HG PRO 46 7.275 3.433 -2.910 346 HD2 PRO 46 2HD PRO 46 9.353 4.923 -3.801 347 HD3 PRO 46 3HD PRO 46 9.495 3.184 -3.475 348 H SER 47 H SER 47 5.910 2.939 -7.624 349 HA SER 47 HA SER 47 6.342 5.279 -9.240 350 HB2 SER 47 2HB SER 47 3.991 3.373 -9.145 351 HB3 SER 47 3HB SER 47 4.263 4.602 -10.380 352 HG SER 47 HG SER 47 5.380 2.123 -10.105 353 H GLY 48 H GLY 48 5.865 7.252 -8.545 354 HA2 GLY 48 2HA GLY 48 4.044 8.811 -8.084 355 HA3 GLY 48 3HA GLY 48 3.383 7.609 -6.985 356 H LEU 49 H LEU 49 6.787 7.990 -6.926 357 HA LEU 49 HA LEU 49 6.578 9.667 -4.513 358 HB2 LEU 49 2HB LEU 49 7.107 7.149 -4.240 359 HB3 LEU 49 3HB LEU 49 8.700 7.582 -4.856 360 HG LEU 49 HG LEU 49 7.545 8.992 -2.476 361 HD11 LEU 49 1HD1 LEU 49 8.350 6.200 -2.644 362 HD12 LEU 49 2HD1 LEU 49 7.505 7.064 -1.359 363 HD13 LEU 49 3HD1 LEU 49 9.266 7.115 -1.446 364 HD21 LEU 49 3HD2 LEU 49 9.533 9.981 -2.419 365 HD22 LEU 49 1HD2 LEU 49 9.899 9.223 -3.969 366 HD23 LEU 49 2HD2 LEU 49 10.366 8.427 -2.466 367 H ARG 50 H ARG 50 7.905 11.381 -4.400 368 HA ARG 50 HA ARG 50 9.984 11.630 -6.475 369 HB2 ARG 50 2HB ARG 50 7.779 13.341 -5.836 370 HB3 ARG 50 3HB ARG 50 9.276 14.195 -5.491 371 HG2 ARG 50 2HG ARG 50 10.054 13.793 -7.757 372 HG3 ARG 50 3HG ARG 50 8.586 12.878 -8.109 373 HD2 ARG 50 2HD ARG 50 7.247 14.768 -8.081 374 HD3 ARG 50 3HD ARG 50 8.395 15.689 -7.111 375 HE ARG 50 HE ARG 50 9.475 16.315 -9.036 376 HH11 ARG 50 1HH1 ARG 50 7.292 13.694 -9.733 377 HH12 ARG 50 2HH1 ARG 50 7.483 13.819 -11.451 378 HH21 ARG 50 1HH2 ARG 50 9.734 16.490 -11.295 379 HH22 ARG 50 2HH2 ARG 50 8.872 15.410 -12.338 380 H LEU 51 H LEU 51 11.957 12.559 -5.908 381 HA LEU 51 HA LEU 51 12.412 13.265 -3.117 382 HB2 LEU 51 2HB LEU 51 14.324 11.357 -4.381 383 HB3 LEU 51 3HB LEU 51 14.027 11.678 -2.674 384 HG LEU 51 HG LEU 51 11.693 10.571 -3.231 385 HD11 LEU 51 1HD1 LEU 51 12.586 10.397 -5.692 386 HD12 LEU 51 2HD1 LEU 51 11.616 9.104 -4.986 387 HD13 LEU 51 3HD1 LEU 51 13.370 8.943 -5.074 388 HD21 LEU 51 3HD2 LEU 51 13.893 9.824 -1.856 389 HD22 LEU 51 1HD2 LEU 51 13.821 8.543 -3.066 390 HD23 LEU 51 2HD2 LEU 51 12.440 8.834 -2.007 391 H GLU 52 H GLU 52 14.427 14.375 -2.762 392 HA GLU 52 HA GLU 52 15.799 15.295 -5.183 393 HB2 GLU 52 2HB GLU 52 14.518 17.045 -3.089 394 HB3 GLU 52 3HB GLU 52 15.783 17.631 -4.159 395 HG2 GLU 52 2HG GLU 52 14.313 18.010 -5.762 396 HG3 GLU 52 3HG GLU 52 13.769 16.335 -5.711 397 H VAL 53 H VAL 53 17.929 15.171 -4.961 398 HA VAL 53 HA VAL 53 19.064 14.676 -2.329 399 HB VAL 53 HB VAL 53 20.466 14.693 -5.004 400 HG11 VAL 53 1HG1 VAL 53 22.250 14.677 -3.632 401 HG12 VAL 53 2HG1 VAL 53 21.300 14.172 -2.234 402 HG13 VAL 53 3HG1 VAL 53 21.834 12.977 -3.417 403 HG21 VAL 53 3HG2 VAL 53 20.301 12.163 -4.706 404 HG22 VAL 53 1HG2 VAL 53 19.036 12.505 -3.525 405 HG23 VAL 53 2HG2 VAL 53 18.837 13.013 -5.202 406 H PHE 54 H PHE 54 20.481 15.985 -1.272 407 HA PHE 54 HA PHE 54 21.192 18.535 -2.555 408 HB2 PHE 54 2HB PHE 54 20.463 18.317 0.363 409 HB3 PHE 54 3HB PHE 54 20.654 19.776 -0.603 410 HD1 PHE 54 HD1 PHE 54 19.035 19.758 -2.772 411 HD2 PHE 54 HD2 PHE 54 18.320 17.750 0.912 412 HE1 PHE 54 HE1 PHE 54 16.620 19.764 -3.242 413 HE2 PHE 54 HE2 PHE 54 15.904 17.752 0.448 414 HZ PHE 54 HZ PHE 54 15.051 18.759 -1.631 415 H GLN 55 H GLN 55 23.328 18.429 -2.817 416 HA GLN 55 HA GLN 55 25.134 16.833 -1.485 417 HB2 GLN 55 2HB GLN 55 25.605 19.550 -2.720 418 HB3 GLN 55 3HB GLN 55 26.878 18.427 -2.264 419 HG2 GLN 55 2HG GLN 55 25.682 16.769 -3.823 420 HG3 GLN 55 3HG GLN 55 24.863 18.194 -4.461 421 HE21 GLN 55 1HE2 GLN 55 26.236 16.916 -6.255 422 HE22 GLN 55 2HE2 GLN 55 27.741 17.682 -6.618 423 H HIS 56 H HIS 56 24.220 20.178 -0.726 424 HA HIS 56 HA HIS 56 25.714 19.982 1.792 425 HB2 HIS 56 2HB HIS 56 25.483 22.043 -0.072 426 HB3 HIS 56 3HB HIS 56 24.477 22.560 1.278 427 HD1 HIS 56 HD1 HIS 56 28.031 21.793 0.374 428 HD2 HIS 56 HD2 HIS 56 25.854 23.246 3.600 429 HE1 HIS 56 HE1 HIS 56 29.738 22.697 1.983 430 H ASN 57 H ASN 57 24.734 20.554 3.781 431 HA ASN 57 HA ASN 57 22.033 19.646 4.025 432 HB2 ASN 57 2HB ASN 57 22.386 20.302 6.466 433 HB3 ASN 57 3HB ASN 57 23.472 19.076 5.818 434 HD21 ASN 57 1HD2 ASN 57 24.921 19.602 7.514 435 HD22 ASN 57 2HD2 ASN 57 25.935 20.997 7.405 436 H ASN 58 H ASN 58 23.531 22.700 3.590 437 HA ASN 58 HA ASN 58 21.146 24.136 4.504 438 HB2 ASN 58 2HB ASN 58 23.845 24.715 4.745 439 HB3 ASN 58 3HB ASN 58 23.316 25.772 3.439 440 HD21 ASN 58 1HD2 ASN 58 23.720 25.574 6.673 441 HD22 ASN 58 2HD2 ASN 58 22.590 26.776 7.188 442 H PHE 59 H PHE 59 21.449 22.501 1.979 443 HA PHE 59 HA PHE 59 20.881 22.606 -0.225 444 HB2 PHE 59 2HB PHE 59 19.265 24.857 0.958 445 HB3 PHE 59 3HB PHE 59 19.136 24.418 -0.742 446 HD1 PHE 59 HD2 PHE 59 19.144 22.696 2.572 447 HD2 PHE 59 HD1 PHE 59 17.401 23.037 -1.296 448 HE1 PHE 59 HE2 PHE 59 17.518 20.944 3.154 449 HE2 PHE 59 HE1 PHE 59 15.772 21.286 -0.721 450 HZ PHE 59 HZ PHE 59 15.829 20.236 1.506 451 H LYS 60 H LYS 60 23.320 23.931 0.513 452 HA LYS 60 HA LYS 60 23.505 26.418 -0.893 453 HB2 LYS 60 2HB LYS 60 24.985 25.822 1.006 454 HB3 LYS 60 3HB LYS 60 25.714 24.564 0.016 455 HG2 LYS 60 2HG LYS 60 25.789 27.071 -1.375 456 HG3 LYS 60 3HG LYS 60 26.494 27.241 0.235 457 HD2 LYS 60 2HD LYS 60 27.794 25.101 -0.321 458 HD3 LYS 60 3HD LYS 60 27.316 25.403 -1.994 459 HE2 LYS 60 2HE LYS 60 28.428 27.524 -1.993 460 HE3 LYS 60 3HE LYS 60 28.741 27.416 -0.262 461 HZ1 LYS 60 3HZ LYS 60 30.729 26.853 -1.404 462 HZ2 LYS 60 1HZ LYS 60 29.931 25.747 -2.406 463 HZ3 LYS 60 2HZ LYS 60 30.110 25.418 -0.757 464 H GLY 61 H GLY 61 25.198 23.333 -1.506 465 HA2 GLY 61 2HA GLY 61 25.959 23.947 -4.126 466 HA3 GLY 61 3HA GLY 61 25.829 22.323 -3.467 467 H VAL 62 H VAL 62 25.231 22.081 -5.860 468 HA VAL 62 HA VAL 62 22.660 22.945 -6.719 469 HB VAL 62 HB VAL 62 24.495 22.309 -8.275 470 HG11 VAL 62 1HG1 VAL 62 25.504 20.334 -8.166 471 HG12 VAL 62 2HG1 VAL 62 24.525 19.956 -6.747 472 HG13 VAL 62 3HG1 VAL 62 23.967 19.491 -8.354 473 HG21 VAL 62 3HG2 VAL 62 21.893 22.212 -8.709 474 HG22 VAL 62 1HG2 VAL 62 23.048 21.685 -9.933 475 HG23 VAL 62 2HG2 VAL 62 22.228 20.494 -8.923 476 H ARG 63 H ARG 63 20.751 21.749 -6.961 477 HA ARG 63 HA ARG 63 20.560 19.393 -5.200 478 HB2 ARG 63 2HB ARG 63 18.233 20.021 -4.786 479 HB3 ARG 63 3HB ARG 63 19.325 21.324 -4.337 480 HG2 ARG 63 2HG ARG 63 18.811 22.474 -6.435 481 HG3 ARG 63 3HG ARG 63 17.703 21.171 -6.869 482 HD2 ARG 63 2HD ARG 63 16.921 21.934 -4.314 483 HD3 ARG 63 3HD ARG 63 17.295 23.450 -5.132 484 HE ARG 63 HE ARG 63 15.708 21.821 -6.802 485 HH11 ARG 63 1HH1 ARG 63 15.515 23.770 -3.923 486 HH12 ARG 63 2HH1 ARG 63 13.838 24.149 -4.136 487 HH21 ARG 63 1HH2 ARG 63 13.500 22.314 -7.093 488 HH22 ARG 63 2HH2 ARG 63 12.692 23.320 -5.938 489 H ASP 64 H ASP 64 19.657 17.559 -5.973 490 HA ASP 64 HA ASP 64 18.879 17.567 -8.808 491 HB2 ASP 64 2HB ASP 64 20.755 16.033 -7.602 492 HB3 ASP 64 3HB ASP 64 19.347 14.987 -7.436 493 H PHE 65 H PHE 65 17.360 15.540 -9.244 494 HA PHE 65 HA PHE 65 15.358 15.130 -7.206 495 HB2 PHE 65 2HB PHE 65 13.515 15.949 -8.769 496 HB3 PHE 65 3HB PHE 65 14.478 17.189 -7.972 497 HD1 PHE 65 HD1 PHE 65 16.155 18.461 -9.240 498 HD2 PHE 65 HD2 PHE 65 13.553 15.674 -11.132 499 HE1 PHE 65 HE1 PHE 65 16.685 19.456 -11.427 500 HE2 PHE 65 HE2 PHE 65 14.080 16.664 -13.322 501 HZ PHE 65 HZ PHE 65 15.648 18.557 -13.472 502 H TYR 66 H TYR 66 14.799 13.070 -7.351 503 HA TYR 66 HA TYR 66 14.790 11.797 -10.010 504 HB2 TYR 66 2HB TYR 66 16.087 11.007 -7.509 505 HB3 TYR 66 3HB TYR 66 15.113 9.724 -8.218 506 HD1 TYR 66 HD1 TYR 66 15.457 9.878 -11.020 507 HD2 TYR 66 HD2 TYR 66 18.320 10.713 -7.985 508 HE1 TYR 66 HE1 TYR 66 17.271 9.369 -12.600 509 HE2 TYR 66 HE2 TYR 66 20.142 10.207 -9.557 510 HH TYR 66 HH TYR 66 20.316 10.279 -12.258 511 H THR 67 H THR 67 13.500 9.616 -9.840 512 HA THR 67 HA THR 67 11.348 9.389 -8.048 513 HB THR 67 HB THR 67 10.526 11.440 -9.111 514 HG1 THR 67 HG1 THR 67 8.994 9.207 -9.995 515 HG21 THR 67 3HG2 THR 67 11.638 10.491 -11.409 516 HG22 THR 67 1HG2 THR 67 10.464 11.804 -11.333 517 HG23 THR 67 2HG2 THR 67 9.928 10.162 -11.687 518 H SER 68 H SER 68 13.172 7.620 -9.142 519 HA SER 68 HA SER 68 11.477 5.542 -10.041 520 HB2 SER 68 2HB SER 68 12.190 5.242 -12.297 521 HB3 SER 68 3HB SER 68 11.736 6.940 -12.149 522 HG SER 68 HG SER 68 14.017 6.000 -12.992 523 H ASP 69 H ASP 69 12.939 3.642 -10.915 524 HA ASP 69 HA ASP 69 14.761 3.028 -8.842 525 HB2 ASP 69 2HB ASP 69 15.303 1.026 -10.296 526 HB3 ASP 69 3HB ASP 69 13.606 1.217 -9.868 527 H ALA 70 H ALA 70 16.376 4.594 -8.796 528 HA ALA 70 HA ALA 70 18.082 4.883 -11.151 529 HB1 ALA 70 1HB ALA 70 17.204 6.765 -9.481 530 HB2 ALA 70 2HB ALA 70 18.701 6.342 -8.651 531 HB3 ALA 70 3HB ALA 70 18.747 6.889 -10.327 532 H ALA 71 H ALA 71 19.937 3.821 -11.366 533 HA ALA 71 HA ALA 71 20.940 2.262 -9.107 534 HB1 ALA 71 1HB ALA 71 22.225 1.024 -10.732 535 HB2 ALA 71 2HB ALA 71 20.550 1.142 -11.274 536 HB3 ALA 71 3HB ALA 71 21.786 2.169 -11.999 537 H GLU 72 H GLU 72 21.313 5.228 -9.463 538 HA GLU 72 HA GLU 72 23.988 5.367 -8.548 539 HB2 GLU 72 2HB GLU 72 23.819 5.291 -11.307 540 HB3 GLU 72 3HB GLU 72 23.919 7.012 -10.960 541 HG2 GLU 72 2HG GLU 72 25.838 5.557 -9.393 542 HG3 GLU 72 3HG GLU 72 26.015 5.179 -11.105 543 H LEU 73 H LEU 73 23.983 6.977 -7.134 544 HA LEU 73 HA LEU 73 21.894 8.720 -6.692 545 HB2 LEU 73 2HB LEU 73 24.693 8.523 -5.827 546 HB3 LEU 73 3HB LEU 73 23.996 10.137 -5.709 547 HG LEU 73 HG LEU 73 23.906 8.636 -3.641 548 HD11 LEU 73 1HD1 LEU 73 21.137 9.418 -4.124 549 HD12 LEU 73 2HD1 LEU 73 22.309 10.671 -4.532 550 HD13 LEU 73 3HD1 LEU 73 22.284 9.984 -2.909 551 HD21 LEU 73 3HD2 LEU 73 23.164 6.608 -4.824 552 HD22 LEU 73 1HD2 LEU 73 21.637 7.406 -5.202 553 HD23 LEU 73 2HD2 LEU 73 22.064 7.068 -3.524 554 H SER 74 H SER 74 22.027 11.162 -6.756 555 HA SER 74 HA SER 74 21.971 12.092 -9.346 556 HB2 SER 74 2HB SER 74 22.224 14.399 -8.288 557 HB3 SER 74 3HB SER 74 20.912 13.399 -7.666 558 HG SER 74 HG SER 74 21.979 13.111 -5.817 559 H ARG 75 H ARG 75 24.457 13.194 -7.047 560 HA ARG 75 HA ARG 75 26.375 13.213 -9.283 561 HB2 ARG 75 2HB ARG 75 25.558 15.354 -7.768 562 HB3 ARG 75 3HB ARG 75 27.039 14.868 -6.955 563 HG2 ARG 75 2HG ARG 75 28.266 15.832 -8.522 564 HG3 ARG 75 3HG ARG 75 27.468 14.888 -9.782 565 HD2 ARG 75 2HD ARG 75 25.805 16.517 -10.099 566 HD3 ARG 75 3HD ARG 75 26.195 17.328 -8.583 567 HE ARG 75 HE ARG 75 28.466 17.479 -10.146 568 HH11 ARG 75 1HH1 ARG 75 25.159 18.548 -10.339 569 HH12 ARG 75 2HH1 ARG 75 25.529 19.945 -11.295 570 HH21 ARG 75 1HH2 ARG 75 28.967 19.315 -11.404 571 HH22 ARG 75 2HH2 ARG 75 27.696 20.380 -11.901 572 H ASP 76 H ASP 76 28.707 13.593 -7.920 573 HA ASP 76 HA ASP 76 29.485 11.040 -7.197 574 HB2 ASP 76 2HB ASP 76 30.649 13.713 -7.091 575 HB3 ASP 76 3HB ASP 76 31.226 12.676 -5.789 576 H ASN 77 H ASN 77 30.168 10.178 -5.127 577 HA ASN 77 HA ASN 77 28.183 10.163 -3.202 578 HB2 ASN 77 2HB ASN 77 30.095 9.274 -1.680 579 HB3 ASN 77 3HB ASN 77 29.643 8.346 -3.107 580 HD21 ASN 77 1HD2 ASN 77 31.664 7.367 -3.192 581 HD22 ASN 77 2HD2 ASN 77 33.070 8.214 -3.732 582 H ASP 78 H ASP 78 27.489 12.052 -2.351 583 HA ASP 78 HA ASP 78 28.808 13.218 -0.203 584 HB2 ASP 78 2HB ASP 78 29.244 15.510 -1.298 585 HB3 ASP 78 3HB ASP 78 30.423 14.231 -1.573 586 H ALA 79 H ALA 79 26.483 12.639 0.170 587 HA ALA 79 HA ALA 79 24.722 14.891 -0.552 588 HB1 ALA 79 1HB ALA 79 23.979 12.765 -1.505 589 HB2 ALA 79 2HB ALA 79 23.931 12.057 0.110 590 HB3 ALA 79 3HB ALA 79 22.833 13.372 -0.309 591 H SER 80 H SER 80 24.798 16.257 1.134 592 HA SER 80 HA SER 80 25.073 15.363 3.843 593 HB2 SER 80 2HB SER 80 25.951 17.555 2.940 594 HB3 SER 80 3HB SER 80 24.283 18.127 2.904 595 HG SER 80 HG SER 80 25.290 18.728 4.842 596 H SER 81 H SER 81 22.457 16.930 2.006 597 HA SER 81 HA SER 81 20.543 15.762 3.912 598 HB2 SER 81 2HB SER 81 20.453 17.996 4.570 599 HB3 SER 81 3HB SER 81 20.733 18.593 2.934 600 HG SER 81 HG SER 81 18.556 18.865 3.586 601 H VAL 82 H VAL 82 18.379 15.463 3.046 602 HA VAL 82 HA VAL 82 18.061 15.596 0.163 603 HB VAL 82 HB VAL 82 17.394 13.190 0.017 604 HG11 VAL 82 1HG1 VAL 82 19.516 12.499 -0.537 605 HG12 VAL 82 2HG1 VAL 82 19.733 14.250 -0.498 606 HG13 VAL 82 3HG1 VAL 82 20.250 13.265 0.871 607 HG21 VAL 82 3HG2 VAL 82 18.011 11.638 1.715 608 HG22 VAL 82 1HG2 VAL 82 18.856 12.885 2.633 609 HG23 VAL 82 2HG2 VAL 82 17.098 12.926 2.499 610 H ARG 83 H ARG 83 15.858 14.962 -0.516 611 HA ARG 83 HA ARG 83 13.890 15.167 1.659 612 HB2 ARG 83 2HB ARG 83 14.318 16.990 -0.608 613 HB3 ARG 83 3HB ARG 83 12.649 16.479 -0.395 614 HG2 ARG 83 2HG ARG 83 12.563 17.367 1.800 615 HG3 ARG 83 3HG ARG 83 14.309 17.626 1.832 616 HD2 ARG 83 2HD ARG 83 14.182 19.534 0.620 617 HD3 ARG 83 3HD ARG 83 12.838 18.947 -0.359 618 HE ARG 83 HE ARG 83 11.888 19.381 2.227 619 HH11 ARG 83 1HH1 ARG 83 13.167 21.210 -0.445 620 HH12 ARG 83 2HH1 ARG 83 12.286 22.649 -0.052 621 HH21 ARG 83 1HH2 ARG 83 10.722 21.269 2.755 622 HH22 ARG 83 2HH2 ARG 83 10.896 22.682 1.770 623 H VAL 84 H VAL 84 12.125 13.885 1.467 624 HA VAL 84 HA VAL 84 11.681 12.488 -1.077 625 HB VAL 84 HB VAL 84 11.455 10.355 -0.038 626 HG11 VAL 84 1HG1 VAL 84 13.923 11.448 1.266 627 HG12 VAL 84 2HG1 VAL 84 13.675 9.882 0.490 628 HG13 VAL 84 3HG1 VAL 84 13.787 11.345 -0.489 629 HG21 VAL 84 3HG2 VAL 84 10.497 10.503 2.013 630 HG22 VAL 84 1HG2 VAL 84 12.175 10.368 2.538 631 HG23 VAL 84 2HG2 VAL 84 11.403 11.951 2.453 632 H SER 85 H SER 85 9.582 12.196 -1.612 633 HA SER 85 HA SER 85 7.466 12.245 0.322 634 HB2 SER 85 2HB SER 85 7.750 14.591 -1.572 635 HB3 SER 85 3HB SER 85 6.342 14.267 -0.561 636 HG SER 85 HG SER 85 7.697 15.739 0.473 637 H LYS 86 H LYS 86 5.276 12.616 -1.061 638 HA LYS 86 HA LYS 86 5.422 10.576 -3.146 639 HB2 LYS 86 2HB LYS 86 3.504 11.309 -1.142 640 HB3 LYS 86 3HB LYS 86 2.744 11.391 -2.726 641 HG2 LYS 86 2HG LYS 86 2.350 9.213 -2.025 642 HG3 LYS 86 3HG LYS 86 3.734 9.061 -3.110 643 HD2 LYS 86 2HD LYS 86 4.621 7.879 -1.408 644 HD3 LYS 86 3HD LYS 86 4.990 9.474 -0.748 645 HE2 LYS 86 2HE LYS 86 2.564 9.263 0.242 646 HE3 LYS 86 3HE LYS 86 2.857 7.538 0.023 647 HZ1 LYS 86 3HZ LYS 86 5.108 8.718 1.230 648 HZ2 LYS 86 1HZ LYS 86 4.079 7.528 1.851 649 HZ3 LYS 86 2HZ LYS 86 3.730 9.164 2.103 650 H MET 87 H MET 87 5.576 11.176 -5.196 651 HA MET 87 HA MET 87 5.173 13.854 -6.059 652 HB2 MET 87 2HB MET 87 5.945 13.156 -8.137 653 HB3 MET 87 3HB MET 87 6.714 12.013 -7.044 654 HG2 MET 87 2HG MET 87 5.945 10.505 -8.512 655 HG3 MET 87 3HG MET 87 4.454 10.674 -7.589 656 HE1 MET 87 3HE MET 87 3.231 9.688 -10.315 657 HE2 MET 87 1HE MET 87 4.133 10.375 -11.667 658 HE3 MET 87 2HE MET 87 4.989 9.547 -10.366 659 H GLU 88 H GLU 88 3.127 11.085 -5.814 660 HA GLU 88 HA GLU 88 1.113 12.255 -7.579 661 HB2 GLU 88 2HB GLU 88 1.798 9.587 -6.754 662 HB3 GLU 88 3HB GLU 88 0.113 9.909 -6.368 663 HG2 GLU 88 2HG GLU 88 0.406 10.903 -8.929 664 HG3 GLU 88 3HG GLU 88 1.374 9.430 -8.928 665 H THR 89 H THR 89 1.941 13.205 -4.794 666 HA THR 89 HA THR 89 -0.798 13.463 -3.770 667 HB THR 89 HB THR 89 1.605 12.941 -2.010 668 HG1 THR 89 HG1 THR 89 -0.627 11.274 -2.628 669 HG21 THR 89 3HG2 THR 89 -1.327 13.242 -1.351 670 HG22 THR 89 1HG2 THR 89 -0.047 14.387 -0.951 671 HG23 THR 89 2HG2 THR 89 -0.064 12.788 -0.208 672 H THR 90 H THR 90 2.540 14.652 -3.621 673 HA THR 90 HA THR 90 1.520 17.386 -3.565 674 HB THR 90 HB THR 90 3.682 17.517 -1.815 675 HG1 THR 90 HG1 THR 90 2.710 15.992 -0.148 676 HG21 THR 90 3HG2 THR 90 1.550 18.819 -1.798 677 HG22 THR 90 1HG2 THR 90 2.060 18.259 -0.206 678 HG23 THR 90 2HG2 THR 90 0.762 17.425 -1.059 679 H ASN 91 H ASN 91 2.795 18.832 -4.629 680 HA ASN 91 HA ASN 91 5.049 17.722 -6.102 681 HB2 ASN 91 2HB ASN 91 4.899 19.728 -7.479 682 HB3 ASN 91 3HB ASN 91 3.307 18.993 -7.313 683 HD21 ASN 91 1HD2 ASN 91 5.074 21.812 -7.068 684 HD22 ASN 91 2HD2 ASN 91 3.916 22.777 -6.223 Start of MODEL 13 1 H GLY 1 H GLY 1 7.806 -1.419 1.681 2 HA2 GLY 1 2HA GLY 1 9.564 -0.230 0.481 3 HA3 GLY 1 3HA GLY 1 9.489 -1.487 -0.744 4 H GLU 2 H GLU 2 7.202 0.744 0.849 5 HA GLU 2 HA GLU 2 6.432 1.770 -1.770 6 HB2 GLU 2 2HB GLU 2 4.824 -0.071 -0.229 7 HB3 GLU 2 3HB GLU 2 3.992 1.466 -0.419 8 HG2 GLU 2 2HG GLU 2 3.286 0.238 -2.247 9 HG3 GLU 2 3HG GLU 2 4.573 1.246 -2.906 10 H LYS 3 H LYS 3 5.417 3.808 -1.707 11 HA LYS 3 HA LYS 3 5.116 5.929 -0.943 12 HB2 LYS 3 2HB LYS 3 4.322 4.311 1.464 13 HB3 LYS 3 3HB LYS 3 4.301 6.069 1.507 14 HG2 LYS 3 2HG LYS 3 2.235 5.946 0.713 15 HG3 LYS 3 3HG LYS 3 2.947 5.447 -0.823 16 HD2 LYS 3 2HD LYS 3 2.933 3.081 0.410 17 HD3 LYS 3 3HD LYS 3 1.582 3.835 1.259 18 HE2 LYS 3 2HE LYS 3 0.793 4.478 -1.138 19 HE3 LYS 3 3HE LYS 3 1.872 3.180 -1.644 20 HZ1 LYS 3 3HZ LYS 3 -0.700 2.862 -0.878 21 HZ2 LYS 3 1HZ LYS 3 0.140 2.451 0.532 22 HZ3 LYS 3 2HZ LYS 3 0.463 1.634 -0.913 23 H THR 4 H THR 4 7.746 4.472 -0.576 24 HA THR 4 HA THR 4 9.103 6.611 0.760 25 HB THR 4 HB THR 4 8.634 5.512 2.790 26 HG1 THR 4 HG1 THR 4 10.949 5.937 2.289 27 HG21 THR 4 3HG2 THR 4 9.568 2.912 2.668 28 HG22 THR 4 1HG2 THR 4 8.716 3.117 1.139 29 HG23 THR 4 2HG2 THR 4 7.877 3.409 2.663 30 H VAL 5 H VAL 5 11.344 6.607 0.387 31 HA VAL 5 HA VAL 5 12.153 4.891 -1.830 32 HB VAL 5 HB VAL 5 14.046 6.411 -2.097 33 HG11 VAL 5 1HG1 VAL 5 12.777 7.818 -3.274 34 HG12 VAL 5 2HG1 VAL 5 11.386 6.986 -2.577 35 HG13 VAL 5 3HG1 VAL 5 12.003 8.457 -1.824 36 HG21 VAL 5 3HG2 VAL 5 12.947 7.725 0.382 37 HG22 VAL 5 1HG2 VAL 5 14.539 6.997 0.163 38 HG23 VAL 5 2HG2 VAL 5 14.124 8.484 -0.690 39 H LYS 6 H LYS 6 13.581 3.282 -1.657 40 HA LYS 6 HA LYS 6 14.719 2.718 0.965 41 HB2 LYS 6 2HB LYS 6 13.867 1.152 -1.315 42 HB3 LYS 6 3HB LYS 6 15.493 0.703 -0.819 43 HG2 LYS 6 2HG LYS 6 14.603 0.457 1.516 44 HG3 LYS 6 3HG LYS 6 12.985 0.655 0.838 45 HD2 LYS 6 2HD LYS 6 14.515 -1.303 -0.641 46 HD3 LYS 6 3HD LYS 6 14.428 -1.717 1.073 47 HE2 LYS 6 2HE LYS 6 11.941 -0.843 -0.310 48 HE3 LYS 6 3HE LYS 6 12.552 -2.465 -0.629 49 HZ1 LYS 6 3HZ LYS 6 12.621 -2.019 2.135 50 HZ2 LYS 6 1HZ LYS 6 11.679 -3.131 1.276 51 HZ3 LYS 6 2HZ LYS 6 11.086 -1.576 1.578 52 H LEU 7 H LEU 7 16.638 3.568 1.418 53 HA LEU 7 HA LEU 7 18.500 4.281 -0.673 54 HB2 LEU 7 2HB LEU 7 18.962 4.403 2.296 55 HB3 LEU 7 3HB LEU 7 19.793 5.310 1.033 56 HG LEU 7 HG LEU 7 16.861 5.693 1.540 57 HD11 LEU 7 1HD1 LEU 7 18.193 5.977 3.662 58 HD12 LEU 7 2HD1 LEU 7 17.292 7.394 3.124 59 HD13 LEU 7 3HD1 LEU 7 19.033 7.302 2.857 60 HD21 LEU 7 3HD2 LEU 7 17.050 7.520 0.211 61 HD22 LEU 7 1HD2 LEU 7 18.383 6.582 -0.464 62 HD23 LEU 7 2HD2 LEU 7 18.708 7.854 0.715 63 H TYR 8 H TYR 8 20.124 3.070 -1.389 64 HA TYR 8 HA TYR 8 20.987 0.778 0.252 65 HB2 TYR 8 2HB TYR 8 20.221 0.953 -2.600 66 HB3 TYR 8 3HB TYR 8 21.651 -0.012 -2.250 67 HD1 TYR 8 HD1 TYR 8 21.444 -1.912 -0.585 68 HD2 TYR 8 HD2 TYR 8 18.064 0.102 -2.204 69 HE1 TYR 8 HE1 TYR 8 20.013 -3.804 0.064 70 HE2 TYR 8 HE2 TYR 8 16.624 -1.784 -1.559 71 HH TYR 8 HH TYR 8 17.899 -4.789 -0.495 72 H GLU 9 H GLU 9 23.134 0.480 0.547 73 HA GLU 9 HA GLU 9 24.890 2.638 -0.248 74 HB2 GLU 9 2HB GLU 9 26.438 1.776 1.310 75 HB3 GLU 9 3HB GLU 9 24.860 1.547 2.050 76 HG2 GLU 9 2HG GLU 9 25.344 -0.790 0.604 77 HG3 GLU 9 3HG GLU 9 26.872 -0.393 1.388 78 H ASP 10 H ASP 10 23.856 -0.032 -1.785 79 HA ASP 10 HA ASP 10 26.410 -0.373 -3.214 80 HB2 ASP 10 2HB ASP 10 25.264 -2.345 -1.781 81 HB3 ASP 10 3HB ASP 10 24.434 -2.582 -3.317 82 H THR 11 H THR 11 26.375 -0.125 -5.374 83 HA THR 11 HA THR 11 23.998 0.926 -6.593 84 HB THR 11 HB THR 11 26.103 1.897 -7.239 85 HG1 THR 11 HG1 THR 11 24.411 1.556 -8.880 86 HG21 THR 11 3HG2 THR 11 27.775 0.335 -6.979 87 HG22 THR 11 1HG2 THR 11 27.604 0.339 -8.734 88 HG23 THR 11 2HG2 THR 11 26.857 -0.941 -7.778 89 H HIS 12 H HIS 12 23.044 -1.367 -5.947 90 HA HIS 12 HA HIS 12 22.356 -2.644 -8.353 91 HB2 HIS 12 2HB HIS 12 24.808 -3.540 -7.366 92 HB3 HIS 12 3HB HIS 12 23.654 -4.772 -6.863 93 HD1 HIS 12 HD1 HIS 12 25.132 -3.196 -9.931 94 HD2 HIS 12 HD2 HIS 12 22.626 -6.348 -8.908 95 HE1 HIS 12 HE1 HIS 12 24.867 -4.554 -12.031 96 H PHE 13 H PHE 13 21.202 -1.563 -5.905 97 HA PHE 13 HA PHE 13 19.620 -2.019 -4.324 98 HB2 PHE 13 2HB PHE 13 18.798 -4.265 -6.164 99 HB3 PHE 13 3HB PHE 13 17.774 -3.315 -5.091 100 HD1 PHE 13 HD2 PHE 13 18.610 -0.581 -5.699 101 HD2 PHE 13 HD1 PHE 13 17.982 -3.896 -8.293 102 HE1 PHE 13 HE2 PHE 13 18.110 0.965 -7.546 103 HE2 PHE 13 HE1 PHE 13 17.481 -2.355 -10.146 104 HZ PHE 13 HZ PHE 13 17.543 0.078 -9.773 105 H LYS 14 H LYS 14 22.151 -3.337 -3.940 106 HA LYS 14 HA LYS 14 21.249 -5.725 -2.467 107 HB2 LYS 14 2HB LYS 14 23.364 -6.777 -2.871 108 HB3 LYS 14 3HB LYS 14 22.734 -6.228 -4.419 109 HG2 LYS 14 2HG LYS 14 24.231 -4.361 -4.439 110 HG3 LYS 14 3HG LYS 14 24.767 -4.716 -2.795 111 HD2 LYS 14 2HD LYS 14 26.444 -5.523 -4.289 112 HD3 LYS 14 3HD LYS 14 25.594 -6.927 -3.637 113 HE2 LYS 14 2HE LYS 14 24.119 -6.432 -5.847 114 HE3 LYS 14 3HE LYS 14 25.702 -5.878 -6.388 115 HZ1 LYS 14 3HZ LYS 14 26.624 -7.981 -6.068 116 HZ2 LYS 14 1HZ LYS 14 25.118 -8.305 -6.767 117 HZ3 LYS 14 2HZ LYS 14 25.342 -8.516 -5.104 118 H GLY 15 H GLY 15 22.413 -6.197 -0.489 119 HA2 GLY 15 2HA GLY 15 23.834 -5.598 1.307 120 HA3 GLY 15 3HA GLY 15 23.956 -3.977 0.638 121 H TYR 16 H TYR 16 23.442 -2.942 2.555 122 HA TYR 16 HA TYR 16 21.021 -3.596 3.978 123 HB2 TYR 16 2HB TYR 16 23.390 -2.355 4.667 124 HB3 TYR 16 3HB TYR 16 22.246 -1.018 4.613 125 HD1 TYR 16 HD1 TYR 16 19.958 -1.483 5.860 126 HD2 TYR 16 HD2 TYR 16 23.600 -3.540 6.638 127 HE1 TYR 16 HE1 TYR 16 19.127 -2.099 8.092 128 HE2 TYR 16 HE2 TYR 16 22.778 -4.163 8.871 129 HH TYR 16 HH TYR 16 20.361 -2.726 10.407 130 H SER 17 H SER 17 19.200 -2.261 4.210 131 HA SER 17 HA SER 17 18.895 -0.185 2.143 132 HB2 SER 17 2HB SER 17 16.343 -1.282 2.672 133 HB3 SER 17 3HB SER 17 17.280 -1.405 1.183 134 HG SER 17 HG SER 17 17.377 -3.170 3.405 135 H VAL 18 H VAL 18 17.778 1.646 2.706 136 HA VAL 18 HA VAL 18 16.689 1.794 5.431 137 HB VAL 18 HB VAL 18 18.558 3.824 4.200 138 HG11 VAL 18 1HG1 VAL 18 16.744 3.910 6.553 139 HG12 VAL 18 2HG1 VAL 18 18.322 4.690 6.687 140 HG13 VAL 18 3HG1 VAL 18 17.195 5.187 5.425 141 HG21 VAL 18 3HG2 VAL 18 19.857 3.230 6.352 142 HG22 VAL 18 1HG2 VAL 18 18.872 1.767 6.354 143 HG23 VAL 18 2HG2 VAL 18 19.928 2.116 4.986 144 H GLU 19 H GLU 19 14.590 2.166 5.088 145 HA GLU 19 HA GLU 19 13.843 4.184 3.076 146 HB2 GLU 19 2HB GLU 19 11.725 3.075 2.835 147 HB3 GLU 19 3HB GLU 19 12.998 1.875 2.664 148 HG2 GLU 19 2HG GLU 19 11.618 2.337 5.282 149 HG3 GLU 19 3HG GLU 19 10.950 1.263 4.055 150 H LEU 20 H LEU 20 12.398 5.799 3.617 151 HA LEU 20 HA LEU 20 11.330 5.898 6.324 152 HB2 LEU 20 2HB LEU 20 12.240 8.429 6.170 153 HB3 LEU 20 3HB LEU 20 13.081 7.123 7.003 154 HG LEU 20 HG LEU 20 13.714 7.543 4.134 155 HD11 LEU 20 1HD1 LEU 20 13.678 9.824 4.922 156 HD12 LEU 20 2HD1 LEU 20 15.347 9.296 4.712 157 HD13 LEU 20 3HD1 LEU 20 14.648 9.386 6.329 158 HD21 LEU 20 3HD2 LEU 20 15.989 7.316 5.761 159 HD22 LEU 20 1HD2 LEU 20 15.273 6.080 4.727 160 HD23 LEU 20 2HD2 LEU 20 14.798 6.195 6.421 161 HA PRO 21 HA PRO 21 7.918 7.859 4.381 162 HB2 PRO 21 2HB PRO 21 6.999 9.438 6.388 163 HB3 PRO 21 3HB PRO 21 6.820 7.680 6.391 164 HG2 PRO 21 2HG PRO 21 8.844 9.381 7.796 165 HG3 PRO 21 3HG PRO 21 7.948 7.976 8.404 166 HD2 PRO 21 2HD PRO 21 10.513 7.811 7.553 167 HD3 PRO 21 3HD PRO 21 9.360 6.473 7.376 168 H VAL 22 H VAL 22 6.965 10.008 3.858 169 HA VAL 22 HA VAL 22 8.702 11.702 2.605 170 HB VAL 22 HB VAL 22 6.364 11.871 2.137 171 HG11 VAL 22 1HG1 VAL 22 5.579 11.303 4.416 172 HG12 VAL 22 2HG1 VAL 22 5.970 12.947 4.927 173 HG13 VAL 22 3HG1 VAL 22 4.723 12.673 3.709 174 HG21 VAL 22 3HG2 VAL 22 8.005 14.071 2.540 175 HG22 VAL 22 1HG2 VAL 22 6.512 14.028 1.601 176 HG23 VAL 22 2HG2 VAL 22 6.477 14.525 3.293 177 H GLY 23 H GLY 23 10.215 13.081 3.252 178 HA2 GLY 23 2HA GLY 23 9.938 15.015 5.237 179 HA3 GLY 23 3HA GLY 23 10.707 13.625 5.987 180 H ASP 24 H ASP 24 12.498 15.119 6.337 181 HA ASP 24 HA ASP 24 14.298 15.117 4.022 182 HB2 ASP 24 2HB ASP 24 15.097 17.416 5.118 183 HB3 ASP 24 3HB ASP 24 13.837 17.354 3.888 184 H TYR 25 H TYR 25 16.291 14.411 4.481 185 HA TYR 25 HA TYR 25 17.139 14.350 7.298 186 HB2 TYR 25 2HB TYR 25 18.287 12.124 6.620 187 HB3 TYR 25 3HB TYR 25 16.564 12.113 6.977 188 HD1 TYR 25 HD2 TYR 25 14.978 12.395 4.922 189 HD2 TYR 25 HD1 TYR 25 19.048 11.189 4.638 190 HE1 TYR 25 HE2 TYR 25 14.524 11.406 2.717 191 HE2 TYR 25 HE1 TYR 25 18.605 10.196 2.431 192 HH TYR 25 HH TYR 25 16.313 10.875 0.536 193 H ASN 26 H ASN 26 19.034 15.300 7.611 194 HA ASN 26 HA ASN 26 20.689 15.977 5.314 195 HB2 ASN 26 2HB ASN 26 21.099 16.771 8.202 196 HB3 ASN 26 3HB ASN 26 21.821 17.514 6.778 197 HD21 ASN 26 1HD2 ASN 26 19.107 17.380 8.850 198 HD22 ASN 26 2HD2 ASN 26 18.172 18.611 8.079 199 H LEU 27 H LEU 27 23.189 16.147 6.405 200 HA LEU 27 HA LEU 27 24.231 13.602 6.066 201 HB2 LEU 27 2HB LEU 27 25.738 15.348 5.805 202 HB3 LEU 27 3HB LEU 27 25.283 16.098 7.334 203 HG LEU 27 HG LEU 27 26.589 13.443 7.482 204 HD11 LEU 27 1HD1 LEU 27 28.321 15.847 7.107 205 HD12 LEU 27 2HD1 LEU 27 27.774 14.922 5.709 206 HD13 LEU 27 3HD1 LEU 27 28.728 14.137 6.967 207 HD21 LEU 27 3HD2 LEU 27 26.228 14.249 9.581 208 HD22 LEU 27 1HD2 LEU 27 26.364 15.934 9.080 209 HD23 LEU 27 2HD2 LEU 27 27.817 14.954 9.280 210 H SER 28 H SER 28 23.723 15.355 9.127 211 HA SER 28 HA SER 28 24.528 13.226 10.796 212 HB2 SER 28 2HB SER 28 24.172 15.764 11.327 213 HB3 SER 28 3HB SER 28 22.519 15.269 11.690 214 HG SER 28 HG SER 28 24.921 14.489 12.946 215 H SER 29 H SER 29 21.503 14.022 9.261 216 HA SER 29 HA SER 29 19.888 12.274 10.848 217 HB2 SER 29 2HB SER 29 19.149 14.310 9.418 218 HB3 SER 29 3HB SER 29 19.164 13.173 8.070 219 HG SER 29 HG SER 29 17.109 13.257 9.026 220 H LEU 30 H LEU 30 21.814 11.947 7.969 221 HA LEU 30 HA LEU 30 20.693 9.596 6.923 222 HB2 LEU 30 2HB LEU 30 23.420 10.829 6.758 223 HB3 LEU 30 3HB LEU 30 23.073 9.278 5.997 224 HG LEU 30 HG LEU 30 21.334 11.614 5.357 225 HD11 LEU 30 1HD1 LEU 30 23.059 12.827 4.645 226 HD12 LEU 30 2HD1 LEU 30 23.259 11.616 3.379 227 HD13 LEU 30 3HD1 LEU 30 24.192 11.494 4.871 228 HD21 LEU 30 3HD2 LEU 30 20.534 9.779 4.263 229 HD22 LEU 30 1HD2 LEU 30 22.121 9.019 4.143 230 HD23 LEU 30 2HD2 LEU 30 21.697 10.348 3.064 231 H ILE 31 H ILE 31 23.511 10.019 9.063 232 HA ILE 31 HA ILE 31 24.043 7.294 9.443 233 HB ILE 31 HB ILE 31 24.582 9.590 11.331 234 HG12 ILE 31 2HG1 ILE 31 26.963 8.827 10.158 235 HG13 ILE 31 3HG1 ILE 31 25.813 8.688 8.833 236 HG21 ILE 31 1HG2 ILE 31 26.439 8.022 12.103 237 HG22 ILE 31 2HG2 ILE 31 24.796 7.641 12.616 238 HG23 ILE 31 3HG2 ILE 31 25.536 6.744 11.290 239 HD11 ILE 31 3HD1 ILE 31 26.905 11.054 10.131 240 HD12 ILE 31 1HD1 ILE 31 26.206 10.856 8.524 241 HD13 ILE 31 2HD1 ILE 31 25.155 11.104 9.919 242 H SER 32 H SER 32 21.667 9.390 10.858 243 HA SER 32 HA SER 32 21.082 8.095 13.234 244 HB2 SER 32 2HB SER 32 19.955 10.163 11.766 245 HB3 SER 32 3HB SER 32 18.673 8.954 11.829 246 HG SER 32 HG SER 32 18.428 9.342 13.881 247 H ARG 33 H ARG 33 20.411 7.137 9.964 248 HA ARG 33 HA ARG 33 18.984 4.766 10.981 249 HB2 ARG 33 2HB ARG 33 18.643 6.145 8.311 250 HB3 ARG 33 3HB ARG 33 17.829 4.665 8.802 251 HG2 ARG 33 2HG ARG 33 16.360 5.750 10.136 252 HG3 ARG 33 3HG ARG 33 17.520 7.003 10.582 253 HD2 ARG 33 2HD ARG 33 17.150 8.208 8.610 254 HD3 ARG 33 3HD ARG 33 16.396 6.831 7.807 255 HE ARG 33 HE ARG 33 14.397 7.389 8.788 256 HH11 ARG 33 1HH1 ARG 33 16.976 9.160 10.315 257 HH12 ARG 33 2HH1 ARG 33 15.911 10.186 11.219 258 HH21 ARG 33 1HH2 ARG 33 12.985 8.733 9.973 259 HH22 ARG 33 2HH2 ARG 33 13.642 9.941 11.025 260 H GLY 34 H GLY 34 21.895 5.289 10.489 261 HA2 GLY 34 2HA GLY 34 23.665 3.986 9.801 262 HA3 GLY 34 3HA GLY 34 22.499 2.776 9.288 263 H ALA 35 H ALA 35 22.802 6.128 8.191 264 HA ALA 35 HA ALA 35 23.503 5.103 5.518 265 HB1 ALA 35 1HB ALA 35 21.113 5.901 5.777 266 HB2 ALA 35 2HB ALA 35 21.777 7.522 5.976 267 HB3 ALA 35 3HB ALA 35 22.047 6.638 4.475 268 H LEU 36 H LEU 36 24.205 7.115 4.100 269 HA LEU 36 HA LEU 36 25.884 8.933 5.663 270 HB2 LEU 36 2HB LEU 36 26.833 6.694 4.140 271 HB3 LEU 36 3HB LEU 36 27.415 8.195 3.422 272 HG LEU 36 HG LEU 36 29.046 7.277 4.974 273 HD11 LEU 36 1HD1 LEU 36 28.790 9.733 4.712 274 HD12 LEU 36 2HD1 LEU 36 29.450 9.250 6.275 275 HD13 LEU 36 3HD1 LEU 36 27.760 9.739 6.144 276 HD21 LEU 36 3HD2 LEU 36 27.249 7.799 7.292 277 HD22 LEU 36 1HD2 LEU 36 28.631 6.711 7.155 278 HD23 LEU 36 2HD2 LEU 36 27.090 6.276 6.414 279 H ASN 37 H ASN 37 27.153 10.342 3.841 280 HA ASN 37 HA ASN 37 25.020 11.357 2.083 281 HB2 ASN 37 2HB ASN 37 26.695 13.445 2.191 282 HB3 ASN 37 3HB ASN 37 25.428 13.188 3.387 283 HD21 ASN 37 1HD2 ASN 37 25.999 12.251 5.406 284 HD22 ASN 37 2HD2 ASN 37 27.610 12.394 6.013 285 H ASP 38 H ASP 38 28.539 11.849 2.125 286 HA ASP 38 HA ASP 38 28.612 11.479 -0.756 287 HB2 ASP 38 2HB ASP 38 31.060 12.105 -0.429 288 HB3 ASP 38 3HB ASP 38 29.875 13.340 -0.014 289 H ASP 39 H ASP 39 28.034 9.169 -0.526 290 HA ASP 39 HA ASP 39 30.205 7.501 -1.004 291 HB2 ASP 39 2HB ASP 39 30.884 7.539 1.245 292 HB3 ASP 39 3HB ASP 39 29.227 7.487 1.840 293 H LEU 40 H LEU 40 26.905 7.849 0.078 294 HA LEU 40 HA LEU 40 25.862 5.338 -0.198 295 HB2 LEU 40 2HB LEU 40 24.863 7.964 -0.104 296 HB3 LEU 40 3HB LEU 40 24.110 7.199 -1.502 297 HG LEU 40 HG LEU 40 23.197 5.452 -0.102 298 HD11 LEU 40 1HD1 LEU 40 23.537 6.219 2.504 299 HD12 LEU 40 2HD1 LEU 40 25.135 6.496 1.811 300 HD13 LEU 40 3HD1 LEU 40 24.391 4.901 1.701 301 HD21 LEU 40 3HD2 LEU 40 21.739 7.275 -0.271 302 HD22 LEU 40 1HD2 LEU 40 22.729 8.280 0.787 303 HD23 LEU 40 2HD2 LEU 40 21.811 6.932 1.458 304 H SER 41 H SER 41 25.021 4.094 -1.871 305 HA SER 41 HA SER 41 26.312 4.506 -4.437 306 HB2 SER 41 2HB SER 41 24.842 2.230 -3.148 307 HB3 SER 41 3HB SER 41 25.091 2.235 -4.894 308 HG SER 41 HG SER 41 27.410 2.783 -4.076 309 H SER 42 H SER 42 22.993 3.959 -3.264 310 HA SER 42 HA SER 42 21.798 5.897 -4.872 311 HB2 SER 42 2HB SER 42 22.598 3.801 -6.459 312 HB3 SER 42 3HB SER 42 20.924 3.375 -6.100 313 HG SER 42 HG SER 42 20.605 5.761 -6.681 314 H ALA 43 H ALA 43 19.341 4.675 -5.451 315 HA ALA 43 HA ALA 43 18.391 3.260 -3.135 316 HB1 ALA 43 1HB ALA 43 17.491 6.108 -3.558 317 HB2 ALA 43 2HB ALA 43 16.828 4.978 -2.377 318 HB3 ALA 43 3HB ALA 43 18.499 5.525 -2.233 319 H ARG 44 H ARG 44 16.270 2.468 -3.382 320 HA ARG 44 HA ARG 44 15.282 2.615 -6.146 321 HB2 ARG 44 2HB ARG 44 15.855 0.421 -4.562 322 HB3 ARG 44 3HB ARG 44 14.105 0.552 -4.449 323 HG2 ARG 44 2HG ARG 44 13.884 0.414 -6.836 324 HG3 ARG 44 3HG ARG 44 15.636 0.465 -7.038 325 HD2 ARG 44 2HD ARG 44 15.917 -1.681 -6.159 326 HD3 ARG 44 3HD ARG 44 14.323 -1.678 -5.405 327 HE ARG 44 HE ARG 44 14.083 -1.485 -8.216 328 HH11 ARG 44 1HH1 ARG 44 14.853 -3.745 -5.682 329 HH12 ARG 44 2HH1 ARG 44 14.326 -5.130 -6.579 330 HH21 ARG 44 1HH2 ARG 44 13.386 -3.301 -9.407 331 HH22 ARG 44 2HH2 ARG 44 13.493 -4.877 -8.698 332 H VAL 45 H VAL 45 13.618 3.934 -6.438 333 HA VAL 45 HA VAL 45 11.647 4.221 -4.265 334 HB VAL 45 HB VAL 45 12.698 6.334 -4.607 335 HG11 VAL 45 1HG1 VAL 45 12.837 7.428 -6.780 336 HG12 VAL 45 2HG1 VAL 45 13.675 5.875 -6.806 337 HG13 VAL 45 3HG1 VAL 45 12.080 6.030 -7.544 338 HG21 VAL 45 3HG2 VAL 45 10.107 6.452 -6.139 339 HG22 VAL 45 1HG2 VAL 45 10.202 6.266 -4.388 340 HG23 VAL 45 2HG2 VAL 45 10.837 7.721 -5.157 341 HA PRO 46 HA PRO 46 8.824 2.275 -7.085 342 HB2 PRO 46 2HB PRO 46 6.590 2.646 -5.588 343 HB3 PRO 46 3HB PRO 46 7.803 1.416 -5.214 344 HG2 PRO 46 2HG PRO 46 7.426 4.132 -4.012 345 HG3 PRO 46 3HG PRO 46 7.787 2.593 -3.209 346 HD2 PRO 46 2HD PRO 46 9.690 4.451 -3.721 347 HD3 PRO 46 3HD PRO 46 10.032 2.709 -3.719 348 H SER 47 H SER 47 6.511 2.868 -7.898 349 HA SER 47 HA SER 47 6.717 5.473 -9.103 350 HB2 SER 47 2HB SER 47 5.424 3.017 -9.721 351 HB3 SER 47 3HB SER 47 4.180 4.263 -9.633 352 HG SER 47 HG SER 47 5.035 5.264 -11.314 353 H GLY 48 H GLY 48 5.937 7.287 -8.272 354 HA2 GLY 48 2HA GLY 48 3.950 8.497 -7.532 355 HA3 GLY 48 3HA GLY 48 3.569 7.115 -6.516 356 H LEU 49 H LEU 49 6.789 8.464 -6.853 357 HA LEU 49 HA LEU 49 6.615 10.005 -4.428 358 HB2 LEU 49 2HB LEU 49 6.875 7.558 -3.751 359 HB3 LEU 49 3HB LEU 49 8.503 7.669 -4.418 360 HG LEU 49 HG LEU 49 7.540 9.517 -2.252 361 HD11 LEU 49 1HD1 LEU 49 7.342 7.665 -0.986 362 HD12 LEU 49 2HD1 LEU 49 9.101 7.769 -0.930 363 HD13 LEU 49 3HD1 LEU 49 8.319 6.682 -2.077 364 HD21 LEU 49 3HD2 LEU 49 10.162 9.223 -1.867 365 HD22 LEU 49 1HD2 LEU 49 9.491 10.428 -2.966 366 HD23 LEU 49 2HD2 LEU 49 10.103 8.901 -3.601 367 H ARG 50 H ARG 50 8.079 11.607 -4.439 368 HA ARG 50 HA ARG 50 10.304 11.409 -6.362 369 HB2 ARG 50 2HB ARG 50 8.611 13.000 -7.127 370 HB3 ARG 50 3HB ARG 50 8.704 13.857 -5.594 371 HG2 ARG 50 2HG ARG 50 11.252 13.558 -7.032 372 HG3 ARG 50 3HG ARG 50 10.042 14.579 -7.814 373 HD2 ARG 50 2HD ARG 50 10.023 15.273 -5.092 374 HD3 ARG 50 3HD ARG 50 11.719 15.146 -5.554 375 HE ARG 50 HE ARG 50 11.475 17.073 -6.744 376 HH11 ARG 50 1HH1 ARG 50 8.329 15.657 -6.273 377 HH12 ARG 50 2HH1 ARG 50 7.480 16.985 -6.991 378 HH21 ARG 50 1HH2 ARG 50 10.368 18.828 -7.692 379 HH22 ARG 50 2HH2 ARG 50 8.640 18.788 -7.798 380 H LEU 51 H LEU 51 12.278 12.393 -5.792 381 HA LEU 51 HA LEU 51 12.545 13.292 -3.015 382 HB2 LEU 51 2HB LEU 51 14.499 11.908 -2.667 383 HB3 LEU 51 3HB LEU 51 13.097 10.913 -3.053 384 HG LEU 51 HG LEU 51 14.213 11.195 -5.508 385 HD11 LEU 51 1HD1 LEU 51 16.678 10.624 -5.017 386 HD12 LEU 51 2HD1 LEU 51 16.394 11.423 -3.471 387 HD13 LEU 51 3HD1 LEU 51 16.175 12.314 -4.977 388 HD21 LEU 51 3HD2 LEU 51 13.721 9.042 -5.053 389 HD22 LEU 51 1HD2 LEU 51 14.259 9.159 -3.378 390 HD23 LEU 51 2HD2 LEU 51 15.440 8.948 -4.671 391 H GLU 52 H GLU 52 14.165 14.783 -2.652 392 HA GLU 52 HA GLU 52 15.508 15.792 -5.072 393 HB2 GLU 52 2HB GLU 52 14.574 17.253 -2.599 394 HB3 GLU 52 3HB GLU 52 15.597 17.981 -3.830 395 HG2 GLU 52 2HG GLU 52 13.607 17.075 -5.381 396 HG3 GLU 52 3HG GLU 52 12.720 17.350 -3.883 397 H VAL 53 H VAL 53 17.635 15.564 -5.136 398 HA VAL 53 HA VAL 53 19.084 14.824 -2.725 399 HB VAL 53 HB VAL 53 20.163 15.067 -5.533 400 HG11 VAL 53 1HG1 VAL 53 22.061 14.888 -4.311 401 HG12 VAL 53 2HG1 VAL 53 21.240 14.137 -2.941 402 HG13 VAL 53 3HG1 VAL 53 21.649 13.175 -4.362 403 HG21 VAL 53 3HG2 VAL 53 18.566 12.944 -4.224 404 HG22 VAL 53 1HG2 VAL 53 18.657 13.412 -5.922 405 HG23 VAL 53 2HG2 VAL 53 19.935 12.428 -5.208 406 H PHE 54 H PHE 54 20.534 16.068 -1.681 407 HA PHE 54 HA PHE 54 21.208 18.680 -2.858 408 HB2 PHE 54 2HB PHE 54 20.763 18.255 0.094 409 HB3 PHE 54 3HB PHE 54 20.899 19.780 -0.775 410 HD1 PHE 54 HD1 PHE 54 19.073 20.132 -2.649 411 HD2 PHE 54 HD2 PHE 54 18.673 17.520 0.688 412 HE1 PHE 54 HE1 PHE 54 16.625 20.223 -2.876 413 HE2 PHE 54 HE2 PHE 54 16.224 17.605 0.466 414 HZ PHE 54 HZ PHE 54 15.197 18.957 -1.318 415 H GLN 55 H GLN 55 23.300 18.507 -3.365 416 HA GLN 55 HA GLN 55 25.182 16.800 -2.296 417 HB2 GLN 55 2HB GLN 55 25.640 17.964 -4.341 418 HB3 GLN 55 3HB GLN 55 25.533 19.527 -3.542 419 HG2 GLN 55 2HG GLN 55 27.602 19.330 -2.572 420 HG3 GLN 55 3HG GLN 55 27.579 17.568 -2.626 421 HE21 GLN 55 1HE2 GLN 55 29.731 19.177 -3.459 422 HE22 GLN 55 2HE2 GLN 55 29.949 18.945 -5.156 423 H HIS 56 H HIS 56 24.320 20.061 -1.242 424 HA HIS 56 HA HIS 56 26.091 19.728 1.085 425 HB2 HIS 56 2HB HIS 56 25.130 22.124 -0.427 426 HB3 HIS 56 3HB HIS 56 25.533 22.298 1.279 427 HD1 HIS 56 HD1 HIS 56 27.038 22.039 -2.065 428 HD2 HIS 56 HD2 HIS 56 28.294 21.749 1.885 429 HE1 HIS 56 HE1 HIS 56 29.545 22.217 -2.142 430 H ASN 57 H ASN 57 25.316 20.218 3.170 431 HA ASN 57 HA ASN 57 22.489 19.655 3.505 432 HB2 ASN 57 2HB ASN 57 23.135 19.639 5.970 433 HB3 ASN 57 3HB ASN 57 23.889 18.410 4.959 434 HD21 ASN 57 1HD2 ASN 57 24.395 20.910 7.144 435 HD22 ASN 57 2HD2 ASN 57 26.112 21.032 6.997 436 H ASN 58 H ASN 58 24.019 22.368 2.807 437 HA ASN 58 HA ASN 58 22.544 24.041 4.724 438 HB2 ASN 58 2HB ASN 58 25.127 24.249 4.238 439 HB3 ASN 58 3HB ASN 58 24.578 25.163 2.837 440 HD21 ASN 58 1HD2 ASN 58 25.542 25.411 5.957 441 HD22 ASN 58 2HD2 ASN 58 24.821 26.927 6.366 442 H PHE 59 H PHE 59 22.032 22.699 1.844 443 HA PHE 59 HA PHE 59 20.780 23.171 -0.001 444 HB2 PHE 59 2HB PHE 59 19.506 24.742 2.198 445 HB3 PHE 59 3HB PHE 59 18.927 24.974 0.552 446 HD1 PHE 59 HD1 PHE 59 19.379 22.495 3.242 447 HD2 PHE 59 HD2 PHE 59 17.571 23.358 -0.513 448 HE1 PHE 59 HE1 PHE 59 17.980 20.483 3.457 449 HE2 PHE 59 HE2 PHE 59 16.168 21.348 -0.304 450 HZ PHE 59 HZ PHE 59 16.371 19.908 1.683 451 H LYS 60 H LYS 60 23.104 24.296 -0.385 452 HA LYS 60 HA LYS 60 22.537 27.047 -1.280 453 HB2 LYS 60 2HB LYS 60 24.245 27.145 0.382 454 HB3 LYS 60 3HB LYS 60 25.110 25.791 -0.332 455 HG2 LYS 60 2HG LYS 60 24.710 28.183 -2.029 456 HG3 LYS 60 3HG LYS 60 25.850 28.317 -0.687 457 HD2 LYS 60 2HD LYS 60 26.379 25.852 -1.931 458 HD3 LYS 60 3HD LYS 60 26.179 27.028 -3.232 459 HE2 LYS 60 2HE LYS 60 27.716 28.447 -1.529 460 HE3 LYS 60 3HE LYS 60 28.272 26.814 -1.164 461 HZ1 LYS 60 3HZ LYS 60 28.542 28.362 -3.629 462 HZ2 LYS 60 1HZ LYS 60 28.347 26.688 -3.778 463 HZ3 LYS 60 2HZ LYS 60 29.641 27.313 -2.886 464 H GLY 61 H GLY 61 24.552 24.201 -2.043 465 HA2 GLY 61 2HA GLY 61 25.164 24.988 -4.679 466 HA3 GLY 61 3HA GLY 61 25.262 23.349 -4.052 467 H VAL 62 H VAL 62 24.537 22.668 -6.162 468 HA VAL 62 HA VAL 62 21.831 23.349 -6.949 469 HB VAL 62 HB VAL 62 22.211 21.936 -8.887 470 HG11 VAL 62 1HG1 VAL 62 24.763 23.463 -8.511 471 HG12 VAL 62 2HG1 VAL 62 23.784 23.274 -9.967 472 HG13 VAL 62 3HG1 VAL 62 23.213 24.294 -8.646 473 HG21 VAL 62 3HG2 VAL 62 24.579 20.952 -9.119 474 HG22 VAL 62 1HG2 VAL 62 24.647 21.088 -7.362 475 HG23 VAL 62 2HG2 VAL 62 23.409 20.088 -8.122 476 H ARG 63 H ARG 63 20.110 21.883 -7.108 477 HA ARG 63 HA ARG 63 20.394 19.485 -5.418 478 HB2 ARG 63 2HB ARG 63 18.156 19.768 -4.670 479 HB3 ARG 63 3HB ARG 63 18.928 21.343 -4.538 480 HG2 ARG 63 2HG ARG 63 17.851 21.420 -7.056 481 HG3 ARG 63 3HG ARG 63 16.651 20.501 -6.145 482 HD2 ARG 63 2HD ARG 63 16.028 22.772 -5.948 483 HD3 ARG 63 3HD ARG 63 16.756 22.328 -4.405 484 HE ARG 63 HE ARG 63 18.823 23.362 -5.845 485 HH11 ARG 63 1HH1 ARG 63 15.661 24.502 -4.939 486 HH12 ARG 63 2HH1 ARG 63 16.130 26.170 -4.899 487 HH21 ARG 63 1HH2 ARG 63 19.453 25.554 -5.796 488 HH22 ARG 63 2HH2 ARG 63 18.287 26.767 -5.388 489 H ASP 64 H ASP 64 19.369 17.580 -6.057 490 HA ASP 64 HA ASP 64 18.699 17.479 -8.917 491 HB2 ASP 64 2HB ASP 64 20.533 16.002 -7.583 492 HB3 ASP 64 3HB ASP 64 19.125 14.955 -7.434 493 H PHE 65 H PHE 65 17.209 15.423 -9.332 494 HA PHE 65 HA PHE 65 15.090 15.198 -7.355 495 HB2 PHE 65 2HB PHE 65 13.348 15.759 -9.088 496 HB3 PHE 65 3HB PHE 65 14.308 17.127 -8.536 497 HD1 PHE 65 HD2 PHE 65 16.024 18.105 -9.994 498 HD2 PHE 65 HD1 PHE 65 13.444 15.001 -11.343 499 HE1 PHE 65 HE2 PHE 65 16.617 18.629 -12.324 500 HE2 PHE 65 HE1 PHE 65 14.034 15.519 -13.675 501 HZ PHE 65 HZ PHE 65 15.621 17.336 -14.168 502 H TYR 66 H TYR 66 14.324 13.186 -7.306 503 HA TYR 66 HA TYR 66 14.574 11.519 -9.716 504 HB2 TYR 66 2HB TYR 66 15.775 11.105 -7.067 505 HB3 TYR 66 3HB TYR 66 14.900 9.707 -7.684 506 HD1 TYR 66 HD2 TYR 66 15.412 9.574 -10.461 507 HD2 TYR 66 HD1 TYR 66 18.043 10.869 -7.379 508 HE1 TYR 66 HE2 TYR 66 17.341 8.983 -11.868 509 HE2 TYR 66 HE1 TYR 66 19.980 10.283 -8.777 510 HH TYR 66 HH TYR 66 20.330 8.532 -10.796 511 H THR 67 H THR 67 13.054 9.816 -9.901 512 HA THR 67 HA THR 67 10.914 9.623 -7.954 513 HB THR 67 HB THR 67 10.111 10.269 -10.778 514 HG1 THR 67 HG1 THR 67 10.258 12.164 -8.659 515 HG21 THR 67 3HG2 THR 67 8.679 9.286 -8.705 516 HG22 THR 67 1HG2 THR 67 7.993 10.283 -9.986 517 HG23 THR 67 2HG2 THR 67 8.461 11.017 -8.452 518 H SER 68 H SER 68 13.020 7.972 -9.389 519 HA SER 68 HA SER 68 11.315 5.672 -9.842 520 HB2 SER 68 2HB SER 68 11.326 5.875 -12.082 521 HB3 SER 68 3HB SER 68 12.538 7.155 -12.033 522 HG SER 68 HG SER 68 13.684 5.608 -12.940 523 H ASP 69 H ASP 69 12.591 3.663 -10.091 524 HA ASP 69 HA ASP 69 14.416 3.281 -8.087 525 HB2 ASP 69 2HB ASP 69 15.180 1.259 -9.484 526 HB3 ASP 69 3HB ASP 69 13.481 1.341 -9.025 527 H ALA 70 H ALA 70 16.184 4.504 -7.814 528 HA ALA 70 HA ALA 70 17.913 5.060 -10.113 529 HB1 ALA 70 1HB ALA 70 17.168 6.923 -8.624 530 HB2 ALA 70 2HB ALA 70 18.123 6.197 -7.331 531 HB3 ALA 70 3HB ALA 70 18.918 6.778 -8.795 532 H ALA 71 H ALA 71 19.608 3.799 -10.467 533 HA ALA 71 HA ALA 71 20.621 2.105 -8.312 534 HB1 ALA 71 1HB ALA 71 21.946 1.072 -10.237 535 HB2 ALA 71 2HB ALA 71 20.197 0.845 -10.239 536 HB3 ALA 71 3HB ALA 71 20.931 2.050 -11.297 537 H GLU 72 H GLU 72 21.413 4.960 -10.019 538 HA GLU 72 HA GLU 72 24.145 4.877 -8.916 539 HB2 GLU 72 2HB GLU 72 23.537 5.039 -11.565 540 HB3 GLU 72 3HB GLU 72 23.634 6.742 -11.141 541 HG2 GLU 72 2HG GLU 72 25.848 5.271 -10.028 542 HG3 GLU 72 3HG GLU 72 25.738 5.042 -11.773 543 H LEU 73 H LEU 73 24.678 6.437 -7.524 544 HA LEU 73 HA LEU 73 22.802 8.184 -6.437 545 HB2 LEU 73 2HB LEU 73 25.296 7.376 -5.758 546 HB3 LEU 73 3HB LEU 73 25.614 9.035 -6.261 547 HG LEU 73 HG LEU 73 25.273 8.804 -3.828 548 HD11 LEU 73 1HD1 LEU 73 22.906 10.342 -4.704 549 HD12 LEU 73 2HD1 LEU 73 24.454 10.788 -5.418 550 HD13 LEU 73 3HD1 LEU 73 24.252 10.816 -3.667 551 HD21 LEU 73 3HD2 LEU 73 23.609 6.939 -4.022 552 HD22 LEU 73 1HD2 LEU 73 22.412 8.144 -4.501 553 HD23 LEU 73 2HD2 LEU 73 23.156 8.226 -2.904 554 H SER 74 H SER 74 22.374 10.355 -6.679 555 HA SER 74 HA SER 74 22.401 11.471 -9.195 556 HB2 SER 74 2HB SER 74 22.233 12.740 -6.466 557 HB3 SER 74 3HB SER 74 22.117 13.699 -7.941 558 HG SER 74 HG SER 74 20.367 12.271 -8.552 559 H ARG 75 H ARG 75 24.491 12.560 -6.513 560 HA ARG 75 HA ARG 75 26.474 13.386 -8.529 561 HB2 ARG 75 2HB ARG 75 25.656 14.582 -5.907 562 HB3 ARG 75 3HB ARG 75 27.283 14.851 -6.515 563 HG2 ARG 75 2HG ARG 75 26.333 16.645 -7.474 564 HG3 ARG 75 3HG ARG 75 25.859 15.476 -8.708 565 HD2 ARG 75 2HD ARG 75 23.705 15.174 -7.605 566 HD3 ARG 75 3HD ARG 75 24.181 16.312 -6.345 567 HE ARG 75 HE ARG 75 23.637 18.022 -7.755 568 HH11 ARG 75 1HH1 ARG 75 24.071 15.121 -9.630 569 HH12 ARG 75 2HH1 ARG 75 23.539 15.844 -11.112 570 HH21 ARG 75 1HH2 ARG 75 22.934 18.984 -9.700 571 HH22 ARG 75 2HH2 ARG 75 22.893 18.041 -11.151 572 H ASP 76 H ASP 76 28.508 12.617 -8.402 573 HA ASP 76 HA ASP 76 29.105 10.290 -7.030 574 HB2 ASP 76 2HB ASP 76 30.462 12.058 -8.791 575 HB3 ASP 76 3HB ASP 76 31.531 11.754 -7.425 576 H ASN 77 H ASN 77 29.193 9.969 -4.913 577 HA ASN 77 HA ASN 77 29.348 10.434 -2.666 578 HB2 ASN 77 2HB ASN 77 31.699 11.102 -2.033 579 HB3 ASN 77 3HB ASN 77 31.582 9.696 -3.087 580 HD21 ASN 77 1HD2 ASN 77 32.761 12.876 -2.712 581 HD22 ASN 77 2HD2 ASN 77 33.545 13.013 -4.246 582 H ASP 78 H ASP 78 27.748 12.306 -3.432 583 HA ASP 78 HA ASP 78 28.535 14.612 -1.884 584 HB2 ASP 78 2HB ASP 78 28.386 14.680 -4.842 585 HB3 ASP 78 3HB ASP 78 27.600 16.010 -3.996 586 H ALA 79 H ALA 79 26.778 13.551 -0.682 587 HA ALA 79 HA ALA 79 24.199 14.666 -1.495 588 HB1 ALA 79 1HB ALA 79 24.800 11.782 -1.116 589 HB2 ALA 79 2HB ALA 79 23.246 12.389 -0.542 590 HB3 ALA 79 3HB ALA 79 23.692 12.571 -2.239 591 H SER 80 H SER 80 25.381 16.036 0.285 592 HA SER 80 HA SER 80 25.586 15.267 2.920 593 HB2 SER 80 2HB SER 80 24.895 17.896 1.636 594 HB3 SER 80 3HB SER 80 24.933 17.739 3.392 595 HG SER 80 HG SER 80 26.989 17.913 1.630 596 H SER 81 H SER 81 22.745 16.841 1.442 597 HA SER 81 HA SER 81 21.069 15.464 3.434 598 HB2 SER 81 2HB SER 81 20.906 17.635 4.223 599 HB3 SER 81 3HB SER 81 21.096 18.344 2.620 600 HG SER 81 HG SER 81 18.815 17.394 3.891 601 H VAL 82 H VAL 82 18.924 14.954 2.765 602 HA VAL 82 HA VAL 82 18.346 15.201 -0.093 603 HB VAL 82 HB VAL 82 17.899 12.535 1.186 604 HG11 VAL 82 1HG1 VAL 82 18.569 12.062 -1.369 605 HG12 VAL 82 2HG1 VAL 82 16.923 12.432 -0.853 606 HG13 VAL 82 3HG1 VAL 82 17.944 13.703 -1.527 607 HG21 VAL 82 3HG2 VAL 82 20.510 13.622 0.201 608 HG22 VAL 82 1HG2 VAL 82 20.171 12.663 1.642 609 HG23 VAL 82 2HG2 VAL 82 20.139 11.904 0.050 610 H ARG 83 H ARG 83 16.122 14.846 -0.633 611 HA ARG 83 HA ARG 83 14.301 14.984 1.679 612 HB2 ARG 83 2HB ARG 83 14.648 16.828 -0.563 613 HB3 ARG 83 3HB ARG 83 12.981 16.308 -0.355 614 HG2 ARG 83 2HG ARG 83 12.895 17.155 1.853 615 HG3 ARG 83 3HG ARG 83 14.642 17.406 1.895 616 HD2 ARG 83 2HD ARG 83 14.531 19.332 0.703 617 HD3 ARG 83 3HD ARG 83 13.160 18.781 -0.260 618 HE ARG 83 HE ARG 83 11.778 19.828 1.218 619 HH11 ARG 83 1HH1 ARG 83 14.844 19.273 2.770 620 HH12 ARG 83 2HH1 ARG 83 14.420 20.140 4.209 621 HH21 ARG 83 1HH2 ARG 83 11.208 20.972 3.107 622 HH22 ARG 83 2HH2 ARG 83 12.351 21.105 4.400 623 H VAL 84 H VAL 84 12.373 13.883 1.533 624 HA VAL 84 HA VAL 84 11.849 12.377 -0.933 625 HB VAL 84 HB VAL 84 11.345 10.351 0.339 626 HG11 VAL 84 1HG1 VAL 84 14.101 11.489 0.765 627 HG12 VAL 84 2HG1 VAL 84 13.682 9.798 1.044 628 HG13 VAL 84 3HG1 VAL 84 13.546 10.487 -0.575 629 HG21 VAL 84 3HG2 VAL 84 10.687 11.263 2.453 630 HG22 VAL 84 1HG2 VAL 84 12.080 10.214 2.721 631 HG23 VAL 84 2HG2 VAL 84 12.285 11.965 2.706 632 H SER 85 H SER 85 9.731 12.153 -1.454 633 HA SER 85 HA SER 85 7.628 12.516 0.470 634 HB2 SER 85 2HB SER 85 7.977 14.607 -1.693 635 HB3 SER 85 3HB SER 85 6.634 14.506 -0.555 636 HG SER 85 HG SER 85 7.821 15.604 0.768 637 H LYS 86 H LYS 86 5.614 11.868 -0.300 638 HA LYS 86 HA LYS 86 5.717 10.210 -2.670 639 HB2 LYS 86 2HB LYS 86 3.291 10.657 -0.947 640 HB3 LYS 86 3HB LYS 86 3.693 9.252 -1.926 641 HG2 LYS 86 2HG LYS 86 5.520 8.709 -0.394 642 HG3 LYS 86 3HG LYS 86 5.106 10.114 0.591 643 HD2 LYS 86 2HD LYS 86 3.313 7.750 0.033 644 HD3 LYS 86 3HD LYS 86 4.179 8.059 1.539 645 HE2 LYS 86 2HE LYS 86 1.959 9.696 0.326 646 HE3 LYS 86 3HE LYS 86 1.911 8.767 1.823 647 HZ1 LYS 86 3HZ LYS 86 3.806 10.310 2.543 648 HZ2 LYS 86 1HZ LYS 86 2.234 10.933 2.530 649 HZ3 LYS 86 2HZ LYS 86 3.303 11.309 1.274 650 H MET 87 H MET 87 4.790 10.620 -4.594 651 HA MET 87 HA MET 87 3.125 13.041 -4.819 652 HB2 MET 87 2HB MET 87 5.475 13.218 -5.771 653 HB3 MET 87 3HB MET 87 4.982 12.032 -6.972 654 HG2 MET 87 2HG MET 87 4.427 13.815 -8.190 655 HG3 MET 87 3HG MET 87 2.982 13.846 -7.181 656 HE1 MET 87 3HE MET 87 3.674 16.278 -8.704 657 HE2 MET 87 1HE MET 87 2.494 16.531 -7.418 658 HE3 MET 87 2HE MET 87 3.860 17.633 -7.590 659 H GLU 88 H GLU 88 2.166 10.386 -4.394 660 HA GLU 88 HA GLU 88 1.137 9.551 -6.998 661 HB2 GLU 88 2HB GLU 88 2.066 7.960 -5.175 662 HB3 GLU 88 3HB GLU 88 0.515 8.207 -4.384 663 HG2 GLU 88 2HG GLU 88 -0.429 7.557 -6.745 664 HG3 GLU 88 3HG GLU 88 1.149 6.791 -6.919 665 H THR 89 H THR 89 0.295 12.028 -5.550 666 HA THR 89 HA THR 89 -2.467 11.478 -4.829 667 HB THR 89 HB THR 89 -2.339 14.170 -4.761 668 HG1 THR 89 HG1 THR 89 -0.325 14.882 -4.449 669 HG21 THR 89 3HG2 THR 89 -1.711 13.929 -2.358 670 HG22 THR 89 1HG2 THR 89 -1.335 12.235 -2.673 671 HG23 THR 89 2HG2 THR 89 -2.985 12.825 -2.875 672 H THR 90 H THR 90 -3.781 11.122 -6.512 673 HA THR 90 HA THR 90 -3.591 12.919 -8.837 674 HB THR 90 HB THR 90 -5.040 11.090 -9.944 675 HG1 THR 90 HG1 THR 90 -5.326 9.296 -8.850 676 HG21 THR 90 3HG2 THR 90 -3.033 10.999 -10.951 677 HG22 THR 90 1HG2 THR 90 -2.737 9.605 -9.914 678 HG23 THR 90 2HG2 THR 90 -2.159 11.200 -9.433 679 H ASN 91 H ASN 91 -5.701 13.361 -9.934 680 HA ASN 91 HA ASN 91 -7.640 14.192 -7.936 681 HB2 ASN 91 2HB ASN 91 -6.970 14.965 -10.710 682 HB3 ASN 91 3HB ASN 91 -8.676 15.065 -10.288 683 HD21 ASN 91 1HD2 ASN 91 -8.639 17.309 -10.458 684 HD22 ASN 91 2HD2 ASN 91 -7.907 18.305 -9.251 Start of MODEL 14 1 H GLY 1 H GLY 1 7.630 -2.927 0.454 2 HA2 GLY 1 2HA GLY 1 5.834 -1.702 2.189 3 HA3 GLY 1 3HA GLY 1 7.372 -0.878 2.396 4 H GLU 2 H GLU 2 5.233 0.547 1.521 5 HA GLU 2 HA GLU 2 6.009 1.138 -1.247 6 HB2 GLU 2 2HB GLU 2 3.665 -0.110 -0.727 7 HB3 GLU 2 3HB GLU 2 3.161 1.568 -0.581 8 HG2 GLU 2 2HG GLU 2 2.829 1.420 -2.784 9 HG3 GLU 2 3HG GLU 2 4.572 1.666 -2.884 10 H LYS 3 H LYS 3 5.190 3.337 -1.930 11 HA LYS 3 HA LYS 3 5.266 5.594 -1.656 12 HB2 LYS 3 2HB LYS 3 3.794 4.747 0.830 13 HB3 LYS 3 3HB LYS 3 4.110 6.441 0.477 14 HG2 LYS 3 2HG LYS 3 2.282 6.492 -0.763 15 HG3 LYS 3 3HG LYS 3 3.019 5.325 -1.864 16 HD2 LYS 3 2HD LYS 3 1.954 3.526 -0.879 17 HD3 LYS 3 3HD LYS 3 1.731 4.367 0.657 18 HE2 LYS 3 2HE LYS 3 -0.399 4.521 -0.098 19 HE3 LYS 3 3HE LYS 3 0.249 5.944 -0.912 20 HZ1 LYS 3 3HZ LYS 3 0.396 3.359 -2.285 21 HZ2 LYS 3 1HZ LYS 3 0.233 4.914 -2.931 22 HZ3 LYS 3 2HZ LYS 3 -1.098 4.149 -2.220 23 H THR 4 H THR 4 7.639 4.347 -1.076 24 HA THR 4 HA THR 4 8.892 6.291 0.617 25 HB THR 4 HB THR 4 8.271 4.896 2.430 26 HG1 THR 4 HG1 THR 4 10.310 4.216 3.154 27 HG21 THR 4 3HG2 THR 4 9.293 2.382 2.103 28 HG22 THR 4 1HG2 THR 4 8.694 2.744 0.485 29 HG23 THR 4 2HG2 THR 4 7.602 2.824 1.867 30 H VAL 5 H VAL 5 11.148 6.346 0.381 31 HA VAL 5 HA VAL 5 12.123 4.847 -1.940 32 HB VAL 5 HB VAL 5 12.404 7.205 -2.190 33 HG11 VAL 5 1HG1 VAL 5 14.204 8.040 -0.247 34 HG12 VAL 5 2HG1 VAL 5 12.493 8.461 -0.353 35 HG13 VAL 5 3HG1 VAL 5 13.006 7.094 0.637 36 HG21 VAL 5 3HG2 VAL 5 14.493 7.086 -3.001 37 HG22 VAL 5 1HG2 VAL 5 15.184 6.688 -1.428 38 HG23 VAL 5 2HG2 VAL 5 14.457 5.422 -2.418 39 H LYS 6 H LYS 6 13.480 3.206 -1.698 40 HA LYS 6 HA LYS 6 14.638 2.675 0.917 41 HB2 LYS 6 2HB LYS 6 14.483 1.064 -1.630 42 HB3 LYS 6 3HB LYS 6 15.371 0.523 -0.212 43 HG2 LYS 6 2HG LYS 6 13.486 -0.422 0.471 44 HG3 LYS 6 3HG LYS 6 12.875 1.206 0.775 45 HD2 LYS 6 2HD LYS 6 12.228 1.179 -1.727 46 HD3 LYS 6 3HD LYS 6 12.425 -0.571 -1.598 47 HE2 LYS 6 2HE LYS 6 10.712 0.965 0.329 48 HE3 LYS 6 3HE LYS 6 10.085 0.418 -1.226 49 HZ1 LYS 6 3HZ LYS 6 9.660 -1.131 0.642 50 HZ2 LYS 6 1HZ LYS 6 11.328 -1.379 0.782 51 HZ3 LYS 6 2HZ LYS 6 10.521 -1.834 -0.633 52 H LEU 7 H LEU 7 16.534 3.562 1.391 53 HA LEU 7 HA LEU 7 18.388 4.358 -0.671 54 HB2 LEU 7 2HB LEU 7 18.342 4.579 2.318 55 HB3 LEU 7 3HB LEU 7 19.794 4.969 1.398 56 HG LEU 7 HG LEU 7 17.226 6.304 0.677 57 HD11 LEU 7 1HD1 LEU 7 18.163 8.126 2.343 58 HD12 LEU 7 2HD1 LEU 7 18.771 6.699 3.183 59 HD13 LEU 7 3HD1 LEU 7 17.043 6.873 2.876 60 HD21 LEU 7 3HD2 LEU 7 19.510 7.993 0.765 61 HD22 LEU 7 1HD2 LEU 7 18.595 7.446 -0.640 62 HD23 LEU 7 2HD2 LEU 7 19.958 6.494 -0.052 63 H TYR 8 H TYR 8 20.035 3.201 -1.420 64 HA TYR 8 HA TYR 8 20.912 0.854 0.132 65 HB2 TYR 8 2HB TYR 8 20.703 1.219 -2.859 66 HB3 TYR 8 3HB TYR 8 21.546 -0.128 -2.103 67 HD1 TYR 8 HD2 TYR 8 18.239 1.461 -2.546 68 HD2 TYR 8 HD1 TYR 8 20.353 -1.989 -1.231 69 HE1 TYR 8 HE2 TYR 8 16.119 0.222 -2.406 70 HE2 TYR 8 HE1 TYR 8 18.239 -3.238 -1.088 71 HH TYR 8 HH TYR 8 15.739 -2.594 -0.762 72 H GLU 9 H GLU 9 23.039 0.617 0.539 73 HA GLU 9 HA GLU 9 24.781 2.838 -0.067 74 HB2 GLU 9 2HB GLU 9 26.311 1.870 1.467 75 HB3 GLU 9 3HB GLU 9 24.710 1.630 2.153 76 HG2 GLU 9 2HG GLU 9 25.022 -0.661 0.739 77 HG3 GLU 9 3HG GLU 9 26.682 -0.328 1.228 78 H ASP 10 H ASP 10 24.212 -0.358 -1.258 79 HA ASP 10 HA ASP 10 26.642 -0.208 -2.912 80 HB2 ASP 10 2HB ASP 10 25.723 -2.292 -1.357 81 HB3 ASP 10 3HB ASP 10 25.170 -2.737 -2.969 82 H THR 11 H THR 11 26.456 -0.976 -5.143 83 HA THR 11 HA THR 11 24.197 0.223 -6.442 84 HB THR 11 HB THR 11 25.312 -0.173 -8.497 85 HG1 THR 11 HG1 THR 11 27.115 -1.629 -8.596 86 HG21 THR 11 3HG2 THR 11 27.570 0.171 -6.533 87 HG22 THR 11 1HG2 THR 11 26.395 1.442 -6.869 88 HG23 THR 11 2HG2 THR 11 27.432 0.836 -8.160 89 H HIS 12 H HIS 12 22.895 -0.873 -8.078 90 HA HIS 12 HA HIS 12 21.456 -2.497 -8.762 91 HB2 HIS 12 2HB HIS 12 23.959 -3.743 -8.593 92 HB3 HIS 12 3HB HIS 12 22.845 -4.845 -7.789 93 HD1 HIS 12 HD1 HIS 12 20.559 -5.296 -9.330 94 HD2 HIS 12 HD2 HIS 12 24.046 -4.123 -11.263 95 HE1 HIS 12 HE1 HIS 12 20.252 -5.963 -11.735 96 H PHE 13 H PHE 13 21.703 -1.543 -5.844 97 HA PHE 13 HA PHE 13 20.636 -1.876 -3.862 98 HB2 PHE 13 2HB PHE 13 18.729 -3.662 -5.366 99 HB3 PHE 13 3HB PHE 13 18.397 -2.652 -3.963 100 HD1 PHE 13 HD2 PHE 13 19.552 -0.090 -4.730 101 HD2 PHE 13 HD1 PHE 13 17.349 -2.898 -7.050 102 HE1 PHE 13 HE2 PHE 13 18.806 1.725 -6.213 103 HE2 PHE 13 HE1 PHE 13 16.601 -1.087 -8.538 104 HZ PHE 13 HZ PHE 13 17.328 1.229 -8.120 105 H LYS 14 H LYS 14 22.808 -3.428 -4.026 106 HA LYS 14 HA LYS 14 21.944 -6.062 -3.027 107 HB2 LYS 14 2HB LYS 14 23.557 -5.703 -5.117 108 HB3 LYS 14 3HB LYS 14 24.768 -5.586 -3.846 109 HG2 LYS 14 2HG LYS 14 24.853 -7.819 -4.289 110 HG3 LYS 14 3HG LYS 14 23.638 -7.804 -3.009 111 HD2 LYS 14 2HD LYS 14 22.743 -9.184 -4.690 112 HD3 LYS 14 3HD LYS 14 21.909 -7.639 -4.872 113 HE2 LYS 14 2HE LYS 14 22.724 -7.336 -6.927 114 HE3 LYS 14 3HE LYS 14 24.360 -7.761 -6.424 115 HZ1 LYS 14 3HZ LYS 14 23.847 -10.072 -6.682 116 HZ2 LYS 14 1HZ LYS 14 23.427 -9.272 -8.113 117 HZ3 LYS 14 2HZ LYS 14 22.223 -9.735 -7.019 118 H GLY 15 H GLY 15 21.736 -5.697 -0.864 119 HA2 GLY 15 2HA GLY 15 23.569 -6.006 0.981 120 HA3 GLY 15 3HA GLY 15 23.915 -4.338 0.548 121 H TYR 16 H TYR 16 23.219 -3.115 2.176 122 HA TYR 16 HA TYR 16 20.811 -3.815 3.634 123 HB2 TYR 16 2HB TYR 16 23.024 -2.852 4.609 124 HB3 TYR 16 3HB TYR 16 22.391 -1.299 4.075 125 HD1 TYR 16 HD2 TYR 16 21.533 -4.257 6.166 126 HD2 TYR 16 HD1 TYR 16 20.899 -0.116 5.425 127 HE1 TYR 16 HE2 TYR 16 20.205 -4.097 8.230 128 HE2 TYR 16 HE1 TYR 16 19.570 0.056 7.488 129 HH TYR 16 HH TYR 16 18.153 -2.154 8.953 130 H SER 17 H SER 17 19.122 -2.210 4.038 131 HA SER 17 HA SER 17 18.814 -0.182 1.951 132 HB2 SER 17 2HB SER 17 16.259 -1.363 2.282 133 HB3 SER 17 3HB SER 17 17.267 -1.355 0.835 134 HG SER 17 HG SER 17 16.693 -3.396 2.509 135 H VAL 18 H VAL 18 17.637 1.595 2.558 136 HA VAL 18 HA VAL 18 16.442 1.568 5.247 137 HB VAL 18 HB VAL 18 18.164 3.794 4.146 138 HG11 VAL 18 1HG1 VAL 18 17.606 3.842 6.984 139 HG12 VAL 18 2HG1 VAL 18 17.387 5.104 5.771 140 HG13 VAL 18 3HG1 VAL 18 16.125 3.900 6.030 141 HG21 VAL 18 3HG2 VAL 18 19.382 1.705 4.833 142 HG22 VAL 18 1HG2 VAL 18 19.831 3.162 5.721 143 HG23 VAL 18 2HG2 VAL 18 18.767 1.968 6.465 144 H GLU 19 H GLU 19 14.331 1.755 4.772 145 HA GLU 19 HA GLU 19 13.504 3.744 2.777 146 HB2 GLU 19 2HB GLU 19 11.559 2.529 2.439 147 HB3 GLU 19 3HB GLU 19 12.730 1.260 2.766 148 HG2 GLU 19 2HG GLU 19 10.748 2.406 4.718 149 HG3 GLU 19 3HG GLU 19 10.663 0.828 3.936 150 H LEU 20 H LEU 20 12.144 5.416 3.275 151 HA LEU 20 HA LEU 20 11.068 5.639 5.972 152 HB2 LEU 20 2HB LEU 20 11.990 8.051 6.000 153 HB3 LEU 20 3HB LEU 20 13.047 6.717 6.456 154 HG LEU 20 HG LEU 20 13.304 7.231 3.646 155 HD11 LEU 20 1HD1 LEU 20 13.890 9.452 3.512 156 HD12 LEU 20 2HD1 LEU 20 14.148 9.603 5.249 157 HD13 LEU 20 3HD1 LEU 20 12.509 9.520 4.605 158 HD21 LEU 20 3HD2 LEU 20 15.668 7.915 4.717 159 HD22 LEU 20 1HD2 LEU 20 15.154 6.244 4.487 160 HD23 LEU 20 2HD2 LEU 20 14.981 7.010 6.066 161 HA PRO 21 HA PRO 21 7.703 7.532 3.873 162 HB2 PRO 21 2HB PRO 21 6.668 9.041 5.877 163 HB3 PRO 21 3HB PRO 21 6.519 7.281 5.826 164 HG2 PRO 21 2HG PRO 21 8.448 8.974 7.366 165 HG3 PRO 21 3HG PRO 21 7.549 7.540 7.894 166 HD2 PRO 21 2HD PRO 21 10.152 7.438 7.158 167 HD3 PRO 21 3HD PRO 21 9.031 6.087 6.893 168 H VAL 22 H VAL 22 6.678 9.746 3.525 169 HA VAL 22 HA VAL 22 8.428 11.482 2.316 170 HB VAL 22 HB VAL 22 6.053 11.614 1.890 171 HG11 VAL 22 1HG1 VAL 22 5.752 12.760 4.663 172 HG12 VAL 22 2HG1 VAL 22 4.468 12.482 3.485 173 HG13 VAL 22 3HG1 VAL 22 5.320 11.113 4.202 174 HG21 VAL 22 3HG2 VAL 22 5.736 14.073 2.035 175 HG22 VAL 22 1HG2 VAL 22 7.171 14.160 3.057 176 HG23 VAL 22 2HG2 VAL 22 7.309 13.606 1.388 177 H GLY 23 H GLY 23 9.528 13.327 2.876 178 HA2 GLY 23 2HA GLY 23 9.402 15.044 4.896 179 HA3 GLY 23 3HA GLY 23 10.059 13.642 5.727 180 H ASP 24 H ASP 24 11.470 15.983 5.685 181 HA ASP 24 HA ASP 24 13.619 15.457 3.740 182 HB2 ASP 24 2HB ASP 24 12.637 17.663 3.436 183 HB3 ASP 24 3HB ASP 24 12.882 18.035 5.140 184 H TYR 25 H TYR 25 15.624 15.014 4.459 185 HA TYR 25 HA TYR 25 16.177 15.350 7.329 186 HB2 TYR 25 2HB TYR 25 17.530 13.135 7.016 187 HB3 TYR 25 3HB TYR 25 15.794 13.063 7.293 188 HD1 TYR 25 HD1 TYR 25 14.327 13.062 5.095 189 HD2 TYR 25 HD2 TYR 25 18.419 11.911 5.269 190 HE1 TYR 25 HE1 TYR 25 14.045 11.769 3.022 191 HE2 TYR 25 HE2 TYR 25 18.149 10.615 3.196 192 HH TYR 25 HH TYR 25 16.652 9.767 1.737 193 H ASN 26 H ASN 26 18.322 15.758 7.884 194 HA ASN 26 HA ASN 26 19.988 16.667 5.645 195 HB2 ASN 26 2HB ASN 26 20.341 17.323 8.573 196 HB3 ASN 26 3HB ASN 26 21.084 18.132 7.196 197 HD21 ASN 26 1HD2 ASN 26 18.818 18.484 9.469 198 HD22 ASN 26 2HD2 ASN 26 17.713 19.531 8.653 199 H LEU 27 H LEU 27 22.457 16.740 6.783 200 HA LEU 27 HA LEU 27 23.448 14.179 6.392 201 HB2 LEU 27 2HB LEU 27 24.936 15.994 6.192 202 HB3 LEU 27 3HB LEU 27 24.572 16.571 7.817 203 HG LEU 27 HG LEU 27 25.850 13.899 7.532 204 HD11 LEU 27 1HD1 LEU 27 28.067 14.909 7.435 205 HD12 LEU 27 2HD1 LEU 27 27.341 16.505 7.252 206 HD13 LEU 27 3HD1 LEU 27 27.131 15.291 5.990 207 HD21 LEU 27 3HD2 LEU 27 25.747 16.123 9.523 208 HD22 LEU 27 1HD2 LEU 27 27.085 14.975 9.557 209 HD23 LEU 27 2HD2 LEU 27 25.427 14.402 9.742 210 H SER 28 H SER 28 22.885 15.874 9.472 211 HA SER 28 HA SER 28 23.694 13.794 11.161 212 HB2 SER 28 2HB SER 28 22.916 16.346 11.575 213 HB3 SER 28 3HB SER 28 21.458 15.503 12.097 214 HG SER 28 HG SER 28 24.098 15.097 13.060 215 H SER 29 H SER 29 20.498 14.590 9.850 216 HA SER 29 HA SER 29 19.041 12.616 11.205 217 HB2 SER 29 2HB SER 29 18.554 13.940 8.530 218 HB3 SER 29 3HB SER 29 17.387 12.884 9.326 219 HG SER 29 HG SER 29 16.779 14.674 10.252 220 H LEU 30 H LEU 30 21.086 12.460 8.397 221 HA LEU 30 HA LEU 30 20.145 9.934 7.452 222 HB2 LEU 30 2HB LEU 30 22.574 11.602 6.902 223 HB3 LEU 30 3HB LEU 30 22.405 9.983 6.227 224 HG LEU 30 HG LEU 30 20.336 12.114 5.770 225 HD11 LEU 30 1HD1 LEU 30 21.419 12.787 3.780 226 HD12 LEU 30 2HD1 LEU 30 22.626 11.509 3.916 227 HD13 LEU 30 3HD1 LEU 30 22.638 12.857 5.053 228 HD21 LEU 30 3HD2 LEU 30 19.405 10.141 5.086 229 HD22 LEU 30 1HD2 LEU 30 20.961 9.414 4.685 230 HD23 LEU 30 2HD2 LEU 30 20.244 10.612 3.607 231 H ILE 31 H ILE 31 22.685 10.994 9.634 232 HA ILE 31 HA ILE 31 24.217 8.716 9.862 233 HB ILE 31 HB ILE 31 23.407 10.481 12.174 234 HG12 ILE 31 2HG1 ILE 31 24.221 11.896 10.404 235 HG13 ILE 31 3HG1 ILE 31 25.497 11.742 11.607 236 HG21 ILE 31 1HG2 ILE 31 25.703 8.598 11.711 237 HG22 ILE 31 2HG2 ILE 31 25.745 9.858 12.943 238 HG23 ILE 31 3HG2 ILE 31 24.524 8.589 13.022 239 HD11 ILE 31 3HD1 ILE 31 25.512 11.065 8.811 240 HD12 ILE 31 1HD1 ILE 31 26.854 11.202 9.946 241 HD13 ILE 31 2HD1 ILE 31 25.970 9.682 9.805 242 H SER 32 H SER 32 21.007 9.323 11.076 243 HA SER 32 HA SER 32 20.780 7.381 13.042 244 HB2 SER 32 2HB SER 32 18.742 8.428 11.072 245 HB3 SER 32 3HB SER 32 18.328 7.336 12.394 246 HG SER 32 HG SER 32 18.032 9.308 13.248 247 H ARG 33 H ARG 33 20.211 7.070 9.547 248 HA ARG 33 HA ARG 33 19.691 4.247 9.737 249 HB2 ARG 33 2HB ARG 33 19.517 4.308 7.318 250 HB3 ARG 33 3HB ARG 33 18.632 5.660 8.010 251 HG2 ARG 33 2HG ARG 33 19.909 7.170 6.979 252 HG3 ARG 33 3HG ARG 33 21.399 6.301 7.354 253 HD2 ARG 33 2HD ARG 33 19.599 5.104 5.327 254 HD3 ARG 33 3HD ARG 33 20.467 6.568 4.868 255 HE ARG 33 HE ARG 33 22.423 5.037 5.895 256 HH11 ARG 33 1HH1 ARG 33 19.938 4.405 3.540 257 HH12 ARG 33 2HH1 ARG 33 20.881 3.246 2.663 258 HH21 ARG 33 1HH2 ARG 33 23.675 3.512 4.749 259 HH22 ARG 33 2HH2 ARG 33 23.006 2.738 3.353 260 H GLY 34 H GLY 34 22.468 6.237 9.402 261 HA2 GLY 34 2HA GLY 34 24.652 5.338 9.780 262 HA3 GLY 34 3HA GLY 34 24.114 3.823 9.068 263 H ALA 35 H ALA 35 24.012 7.204 7.947 264 HA ALA 35 HA ALA 35 25.123 6.306 5.388 265 HB1 ALA 35 1HB ALA 35 24.016 8.012 4.369 266 HB2 ALA 35 2HB ALA 35 22.967 7.802 5.771 267 HB3 ALA 35 3HB ALA 35 24.171 9.091 5.756 268 H LEU 36 H LEU 36 26.546 8.028 4.288 269 HA LEU 36 HA LEU 36 28.482 9.066 6.252 270 HB2 LEU 36 2HB LEU 36 29.340 8.302 3.506 271 HB3 LEU 36 3HB LEU 36 30.265 8.330 5.006 272 HG LEU 36 HG LEU 36 28.695 6.320 5.639 273 HD11 LEU 36 1HD1 LEU 36 28.138 6.758 2.817 274 HD12 LEU 36 2HD1 LEU 36 27.274 5.786 4.007 275 HD13 LEU 36 3HD1 LEU 36 28.674 5.116 3.170 276 HD21 LEU 36 3HD2 LEU 36 31.196 6.450 4.056 277 HD22 LEU 36 1HD2 LEU 36 30.401 4.881 4.185 278 HD23 LEU 36 2HD2 LEU 36 30.891 5.743 5.644 279 H ASN 37 H ASN 37 26.342 9.822 3.792 280 HA ASN 37 HA ASN 37 25.843 11.753 2.699 281 HB2 ASN 37 2HB ASN 37 27.973 13.248 4.178 282 HB3 ASN 37 3HB ASN 37 26.354 13.770 3.722 283 HD21 ASN 37 1HD2 ASN 37 24.556 12.622 4.838 284 HD22 ASN 37 2HD2 ASN 37 24.769 12.251 6.512 285 H ASP 38 H ASP 38 28.323 9.995 2.103 286 HA ASP 38 HA ASP 38 29.015 11.149 -0.336 287 HB2 ASP 38 2HB ASP 38 31.488 11.645 0.326 288 HB3 ASP 38 3HB ASP 38 30.255 12.869 0.617 289 H ASP 39 H ASP 39 28.401 8.768 -0.316 290 HA ASP 39 HA ASP 39 30.546 7.214 -1.114 291 HB2 ASP 39 2HB ASP 39 31.436 7.016 1.040 292 HB3 ASP 39 3HB ASP 39 29.846 6.911 1.791 293 H LEU 40 H LEU 40 27.335 7.407 0.202 294 HA LEU 40 HA LEU 40 26.285 4.919 -0.159 295 HB2 LEU 40 2HB LEU 40 25.212 7.663 -0.453 296 HB3 LEU 40 3HB LEU 40 24.235 6.350 -1.107 297 HG LEU 40 HG LEU 40 23.615 7.061 1.202 298 HD11 LEU 40 1HD1 LEU 40 24.473 4.315 1.663 299 HD12 LEU 40 2HD1 LEU 40 23.703 4.553 0.095 300 HD13 LEU 40 3HD1 LEU 40 22.849 4.999 1.573 301 HD21 LEU 40 3HD2 LEU 40 26.015 7.457 1.892 302 HD22 LEU 40 1HD2 LEU 40 26.162 5.707 2.055 303 HD23 LEU 40 2HD2 LEU 40 25.007 6.592 3.053 304 H SER 41 H SER 41 24.978 4.001 -1.908 305 HA SER 41 HA SER 41 26.328 4.362 -4.474 306 HB2 SER 41 2HB SER 41 26.297 2.090 -3.951 307 HB3 SER 41 3HB SER 41 24.676 2.168 -3.262 308 HG SER 41 HG SER 41 23.818 2.255 -5.293 309 H SER 42 H SER 42 22.978 3.885 -3.341 310 HA SER 42 HA SER 42 21.897 6.078 -4.697 311 HB2 SER 42 2HB SER 42 22.621 4.299 -6.573 312 HB3 SER 42 3HB SER 42 21.024 3.658 -6.187 313 HG SER 42 HG SER 42 21.380 6.407 -6.682 314 H ALA 43 H ALA 43 19.397 4.915 -5.461 315 HA ALA 43 HA ALA 43 18.381 3.386 -3.248 316 HB1 ALA 43 1HB ALA 43 17.457 6.243 -3.532 317 HB2 ALA 43 2HB ALA 43 16.864 5.052 -2.373 318 HB3 ALA 43 3HB ALA 43 18.522 5.642 -2.261 319 H ARG 44 H ARG 44 16.295 2.589 -3.609 320 HA ARG 44 HA ARG 44 15.305 3.008 -6.349 321 HB2 ARG 44 2HB ARG 44 16.094 0.679 -5.386 322 HB3 ARG 44 3HB ARG 44 14.478 0.664 -4.694 323 HG2 ARG 44 2HG ARG 44 14.952 1.150 -7.616 324 HG3 ARG 44 3HG ARG 44 14.796 -0.474 -6.941 325 HD2 ARG 44 2HD ARG 44 12.611 0.397 -5.902 326 HD3 ARG 44 3HD ARG 44 12.759 1.725 -7.052 327 HE ARG 44 HE ARG 44 13.015 -0.468 -8.611 328 HH11 ARG 44 1HH1 ARG 44 10.661 0.517 -6.243 329 HH12 ARG 44 2HH1 ARG 44 9.349 -0.317 -7.008 330 HH21 ARG 44 1HH2 ARG 44 11.297 -1.571 -9.628 331 HH22 ARG 44 2HH2 ARG 44 9.712 -1.505 -8.933 332 H VAL 45 H VAL 45 13.361 3.889 -6.641 333 HA VAL 45 HA VAL 45 11.576 4.116 -4.305 334 HB VAL 45 HB VAL 45 10.750 6.195 -5.160 335 HG11 VAL 45 1HG1 VAL 45 13.459 5.783 -4.433 336 HG12 VAL 45 2HG1 VAL 45 13.413 7.052 -5.658 337 HG13 VAL 45 3HG1 VAL 45 12.461 7.214 -4.182 338 HG21 VAL 45 3HG2 VAL 45 12.252 6.995 -7.286 339 HG22 VAL 45 1HG2 VAL 45 12.031 5.280 -7.632 340 HG23 VAL 45 2HG2 VAL 45 10.626 6.321 -7.399 341 HA PRO 46 HA PRO 46 8.548 1.835 -6.544 342 HB2 PRO 46 2HB PRO 46 6.320 2.705 -5.260 343 HB3 PRO 46 3HB PRO 46 7.471 1.580 -4.530 344 HG2 PRO 46 2HG PRO 46 7.210 4.537 -4.147 345 HG3 PRO 46 3HG PRO 46 7.492 3.272 -2.936 346 HD2 PRO 46 2HD PRO 46 9.483 4.830 -3.907 347 HD3 PRO 46 3HD PRO 46 9.744 3.146 -3.410 348 H SER 47 H SER 47 6.206 2.319 -7.460 349 HA SER 47 HA SER 47 6.564 4.411 -9.404 350 HB2 SER 47 2HB SER 47 4.250 2.509 -8.959 351 HB3 SER 47 3HB SER 47 4.439 3.574 -10.352 352 HG SER 47 HG SER 47 5.188 1.332 -10.598 353 H GLY 48 H GLY 48 6.095 6.459 -8.968 354 HA2 GLY 48 2HA GLY 48 4.438 8.149 -8.626 355 HA3 GLY 48 3HA GLY 48 3.582 7.045 -7.560 356 H LEU 49 H LEU 49 7.034 7.767 -7.488 357 HA LEU 49 HA LEU 49 6.648 9.257 -4.988 358 HB2 LEU 49 2HB LEU 49 7.242 6.816 -4.619 359 HB3 LEU 49 3HB LEU 49 8.809 7.195 -5.330 360 HG LEU 49 HG LEU 49 7.785 8.693 -2.939 361 HD11 LEU 49 1HD1 LEU 49 7.872 6.084 -2.719 362 HD12 LEU 49 2HD1 LEU 49 8.535 7.117 -1.453 363 HD13 LEU 49 3HD1 LEU 49 9.612 6.360 -2.626 364 HD21 LEU 49 3HD2 LEU 49 10.127 8.756 -4.563 365 HD22 LEU 49 1HD2 LEU 49 10.574 8.237 -2.937 366 HD23 LEU 49 2HD2 LEU 49 9.715 9.760 -3.172 367 H ARG 50 H ARG 50 7.925 11.008 -4.764 368 HA ARG 50 HA ARG 50 10.087 11.373 -6.733 369 HB2 ARG 50 2HB ARG 50 8.040 12.780 -7.139 370 HB3 ARG 50 3HB ARG 50 8.351 13.566 -5.597 371 HG2 ARG 50 2HG ARG 50 10.648 14.137 -6.534 372 HG3 ARG 50 3HG ARG 50 9.994 13.660 -8.103 373 HD2 ARG 50 2HD ARG 50 8.054 15.287 -7.460 374 HD3 ARG 50 3HD ARG 50 9.249 15.962 -6.352 375 HE ARG 50 HE ARG 50 10.573 15.885 -8.706 376 HH11 ARG 50 1HH1 ARG 50 7.478 17.161 -7.750 377 HH12 ARG 50 2HH1 ARG 50 7.494 18.434 -8.925 378 HH21 ARG 50 1HH2 ARG 50 10.605 17.557 -10.258 379 HH22 ARG 50 2HH2 ARG 50 9.272 18.657 -10.352 380 H LEU 51 H LEU 51 11.955 12.431 -6.046 381 HA LEU 51 HA LEU 51 12.164 13.229 -3.253 382 HB2 LEU 51 2HB LEU 51 14.138 11.842 -2.871 383 HB3 LEU 51 3HB LEU 51 12.703 10.871 -3.192 384 HG LEU 51 HG LEU 51 13.657 10.854 -5.643 385 HD11 LEU 51 1HD1 LEU 51 16.019 11.586 -3.945 386 HD12 LEU 51 2HD1 LEU 51 15.498 12.281 -5.479 387 HD13 LEU 51 3HD1 LEU 51 16.199 10.664 -5.438 388 HD21 LEU 51 3HD2 LEU 51 14.434 8.717 -5.240 389 HD22 LEU 51 1HD2 LEU 51 13.380 8.989 -3.853 390 HD23 LEU 51 2HD2 LEU 51 15.128 9.149 -3.676 391 H GLU 52 H GLU 52 14.085 14.453 -2.785 392 HA GLU 52 HA GLU 52 15.460 15.473 -5.181 393 HB2 GLU 52 2HB GLU 52 14.445 17.086 -2.834 394 HB3 GLU 52 3HB GLU 52 15.459 17.720 -4.123 395 HG2 GLU 52 2HG GLU 52 13.708 17.217 -5.750 396 HG3 GLU 52 3HG GLU 52 12.691 16.585 -4.456 397 H VAL 53 H VAL 53 17.585 15.234 -5.072 398 HA VAL 53 HA VAL 53 18.835 14.598 -2.520 399 HB VAL 53 HB VAL 53 20.095 14.650 -5.265 400 HG11 VAL 53 1HG1 VAL 53 21.697 13.051 -4.123 401 HG12 VAL 53 2HG1 VAL 53 21.797 14.744 -3.632 402 HG13 VAL 53 3HG1 VAL 53 20.977 13.572 -2.600 403 HG21 VAL 53 3HG2 VAL 53 18.549 12.541 -3.819 404 HG22 VAL 53 1HG2 VAL 53 18.495 13.007 -5.519 405 HG23 VAL 53 2HG2 VAL 53 19.861 12.078 -4.903 406 H PHE 54 H PHE 54 20.048 15.965 -1.377 407 HA PHE 54 HA PHE 54 20.896 18.477 -2.663 408 HB2 PHE 54 2HB PHE 54 20.344 18.253 0.283 409 HB3 PHE 54 3HB PHE 54 20.390 19.696 -0.724 410 HD1 PHE 54 HD1 PHE 54 18.603 19.483 -2.785 411 HD2 PHE 54 HD2 PHE 54 18.274 17.692 1.062 412 HE1 PHE 54 HE1 PHE 54 16.158 19.380 -3.046 413 HE2 PHE 54 HE2 PHE 54 15.829 17.585 0.807 414 HZ PHE 54 HZ PHE 54 14.768 18.429 -1.249 415 H GLN 55 H GLN 55 23.013 18.254 -3.039 416 HA GLN 55 HA GLN 55 24.816 16.603 -1.773 417 HB2 GLN 55 2HB GLN 55 25.432 17.648 -3.827 418 HB3 GLN 55 3HB GLN 55 25.237 19.256 -3.144 419 HG2 GLN 55 2HG GLN 55 27.158 17.738 -1.636 420 HG3 GLN 55 3HG GLN 55 27.584 17.770 -3.346 421 HE21 GLN 55 1HE2 GLN 55 28.881 19.042 -1.058 422 HE22 GLN 55 2HE2 GLN 55 28.924 20.732 -1.414 423 H HIS 56 H HIS 56 24.009 19.963 -0.978 424 HA HIS 56 HA HIS 56 25.584 19.706 1.492 425 HB2 HIS 56 2HB HIS 56 24.995 21.937 -0.333 426 HB3 HIS 56 3HB HIS 56 24.857 22.342 1.375 427 HD1 HIS 56 HD1 HIS 56 27.206 20.681 2.479 428 HD2 HIS 56 HD2 HIS 56 27.410 23.046 -0.931 429 HE1 HIS 56 HE1 HIS 56 29.644 21.223 2.181 430 H ASN 57 H ASN 57 24.666 20.766 3.437 431 HA ASN 57 HA ASN 57 21.833 20.083 3.666 432 HB2 ASN 57 2HB ASN 57 22.329 20.401 6.161 433 HB3 ASN 57 3HB ASN 57 23.099 19.035 5.359 434 HD21 ASN 57 1HD2 ASN 57 23.644 22.400 6.286 435 HD22 ASN 57 2HD2 ASN 57 25.338 22.228 6.580 436 H ASN 58 H ASN 58 22.725 22.538 2.343 437 HA ASN 58 HA ASN 58 21.208 24.430 3.989 438 HB2 ASN 58 2HB ASN 58 23.993 24.597 3.594 439 HB3 ASN 58 3HB ASN 58 23.281 25.828 2.554 440 HD21 ASN 58 1HD2 ASN 58 23.578 27.679 3.584 441 HD22 ASN 58 2HD2 ASN 58 23.132 28.000 5.222 442 H PHE 59 H PHE 59 21.134 22.770 1.321 443 HA PHE 59 HA PHE 59 20.267 22.992 -0.775 444 HB2 PHE 59 2HB PHE 59 18.771 25.016 0.851 445 HB3 PHE 59 3HB PHE 59 18.480 24.910 -0.883 446 HD1 PHE 59 HD2 PHE 59 18.678 22.717 2.126 447 HD2 PHE 59 HD1 PHE 59 16.843 23.486 -1.637 448 HE1 PHE 59 HE2 PHE 59 17.123 20.849 2.506 449 HE2 PHE 59 HE1 PHE 59 15.284 21.619 -1.262 450 HZ PHE 59 HZ PHE 59 15.424 20.297 0.811 451 H LYS 60 H LYS 60 22.750 24.397 -0.228 452 HA LYS 60 HA LYS 60 22.542 26.807 -1.871 453 HB2 LYS 60 2HB LYS 60 24.711 27.383 -1.102 454 HB3 LYS 60 3HB LYS 60 23.846 26.765 0.299 455 HG2 LYS 60 2HG LYS 60 25.776 25.631 0.584 456 HG3 LYS 60 3HG LYS 60 24.984 24.495 -0.510 457 HD2 LYS 60 2HD LYS 60 26.649 24.743 -1.960 458 HD3 LYS 60 3HD LYS 60 26.272 26.463 -2.094 459 HE2 LYS 60 2HE LYS 60 27.893 27.074 -0.592 460 HE3 LYS 60 3HE LYS 60 27.838 25.531 0.259 461 HZ1 LYS 60 3HZ LYS 60 29.806 25.335 -0.847 462 HZ2 LYS 60 1HZ LYS 60 29.304 26.263 -2.170 463 HZ3 LYS 60 2HZ LYS 60 28.775 24.664 -2.009 464 H GLY 61 H GLY 61 23.861 23.563 -1.913 465 HA2 GLY 61 2HA GLY 61 25.351 23.994 -4.354 466 HA3 GLY 61 3HA GLY 61 25.144 22.466 -3.510 467 H VAL 62 H VAL 62 24.999 22.079 -6.032 468 HA VAL 62 HA VAL 62 22.613 22.663 -7.391 469 HB VAL 62 HB VAL 62 24.552 21.894 -8.609 470 HG11 VAL 62 1HG1 VAL 62 24.704 19.957 -6.568 471 HG12 VAL 62 2HG1 VAL 62 24.483 19.086 -8.086 472 HG13 VAL 62 3HG1 VAL 62 25.824 20.218 -7.904 473 HG21 VAL 62 3HG2 VAL 62 23.513 20.190 -10.031 474 HG22 VAL 62 1HG2 VAL 62 22.295 19.900 -8.789 475 HG23 VAL 62 2HG2 VAL 62 22.368 21.462 -9.605 476 H ARG 63 H ARG 63 20.613 21.975 -7.054 477 HA ARG 63 HA ARG 63 20.170 19.654 -5.336 478 HB2 ARG 63 2HB ARG 63 17.838 20.439 -5.235 479 HB3 ARG 63 3HB ARG 63 18.975 21.691 -4.752 480 HG2 ARG 63 2HG ARG 63 18.710 22.184 -7.418 481 HG3 ARG 63 3HG ARG 63 17.096 21.614 -6.988 482 HD2 ARG 63 2HD ARG 63 16.789 23.785 -6.444 483 HD3 ARG 63 3HD ARG 63 17.548 23.281 -4.935 484 HE ARG 63 HE ARG 63 19.432 24.157 -6.911 485 HH11 ARG 63 1HH1 ARG 63 17.261 25.189 -4.393 486 HH12 ARG 63 2HH1 ARG 63 18.118 26.661 -4.077 487 HH21 ARG 63 1HH2 ARG 63 20.570 26.092 -6.504 488 HH22 ARG 63 2HH2 ARG 63 19.999 27.174 -5.279 489 H ASP 64 H ASP 64 19.595 17.739 -6.117 490 HA ASP 64 HA ASP 64 18.752 17.573 -8.927 491 HB2 ASP 64 2HB ASP 64 20.792 16.266 -7.738 492 HB3 ASP 64 3HB ASP 64 19.495 15.105 -7.465 493 H PHE 65 H PHE 65 17.093 16.040 -9.506 494 HA PHE 65 HA PHE 65 15.264 15.342 -7.315 495 HB2 PHE 65 2HB PHE 65 13.372 15.953 -8.922 496 HB3 PHE 65 3HB PHE 65 14.252 17.290 -8.189 497 HD1 PHE 65 HD1 PHE 65 15.766 18.658 -9.513 498 HD2 PHE 65 HD2 PHE 65 13.521 15.500 -11.274 499 HE1 PHE 65 HE1 PHE 65 16.242 19.571 -11.747 500 HE2 PHE 65 HE2 PHE 65 13.994 16.408 -13.512 501 HZ PHE 65 HZ PHE 65 15.356 18.445 -13.751 502 H TYR 66 H TYR 66 14.579 13.302 -7.385 503 HA TYR 66 HA TYR 66 14.745 11.855 -9.945 504 HB2 TYR 66 2HB TYR 66 16.105 11.305 -7.443 505 HB3 TYR 66 3HB TYR 66 15.101 9.945 -7.935 506 HD1 TYR 66 HD1 TYR 66 15.301 9.807 -10.774 507 HD2 TYR 66 HD2 TYR 66 18.310 10.888 -7.967 508 HE1 TYR 66 HE1 TYR 66 17.034 9.101 -12.369 509 HE2 TYR 66 HE2 TYR 66 20.052 10.186 -9.555 510 HH TYR 66 HH TYR 66 19.712 9.869 -12.637 511 H THR 67 H THR 67 13.139 10.371 -10.376 512 HA THR 67 HA THR 67 11.020 10.025 -8.379 513 HB THR 67 HB THR 67 10.355 11.898 -9.872 514 HG1 THR 67 HG1 THR 67 8.713 9.665 -10.451 515 HG21 THR 67 3HG2 THR 67 10.652 11.796 -12.077 516 HG22 THR 67 1HG2 THR 67 9.639 10.357 -12.175 517 HG23 THR 67 2HG2 THR 67 11.371 10.198 -11.885 518 H SER 68 H SER 68 13.177 8.351 -9.650 519 HA SER 68 HA SER 68 11.461 6.075 -10.269 520 HB2 SER 68 2HB SER 68 13.654 5.918 -12.079 521 HB3 SER 68 3HB SER 68 11.935 6.034 -12.456 522 HG SER 68 HG SER 68 12.968 7.772 -13.392 523 H ASP 69 H ASP 69 13.217 4.160 -10.843 524 HA ASP 69 HA ASP 69 14.464 3.631 -8.358 525 HB2 ASP 69 2HB ASP 69 15.416 1.636 -9.561 526 HB3 ASP 69 3HB ASP 69 13.663 1.783 -9.655 527 H ALA 70 H ALA 70 16.005 5.144 -7.849 528 HA ALA 70 HA ALA 70 18.030 5.999 -9.658 529 HB1 ALA 70 1HB ALA 70 17.095 7.083 -7.444 530 HB2 ALA 70 2HB ALA 70 18.434 6.194 -6.718 531 HB3 ALA 70 3HB ALA 70 18.747 7.380 -7.985 532 H ALA 71 H ALA 71 19.548 4.674 -10.409 533 HA ALA 71 HA ALA 71 20.487 2.432 -8.818 534 HB1 ALA 71 1HB ALA 71 20.473 3.152 -11.645 535 HB2 ALA 71 2HB ALA 71 21.985 2.417 -11.113 536 HB3 ALA 71 3HB ALA 71 20.460 1.564 -10.878 537 H GLU 72 H GLU 72 21.536 5.598 -9.779 538 HA GLU 72 HA GLU 72 23.953 5.251 -8.166 539 HB2 GLU 72 2HB GLU 72 24.142 5.165 -10.878 540 HB3 GLU 72 3HB GLU 72 24.331 6.888 -10.590 541 HG2 GLU 72 2HG GLU 72 25.938 5.350 -8.758 542 HG3 GLU 72 3HG GLU 72 26.294 4.929 -10.432 543 H LEU 73 H LEU 73 24.208 6.869 -6.771 544 HA LEU 73 HA LEU 73 22.383 8.896 -6.382 545 HB2 LEU 73 2HB LEU 73 25.266 8.643 -5.586 546 HB3 LEU 73 3HB LEU 73 24.286 10.025 -5.102 547 HG LEU 73 HG LEU 73 23.864 7.138 -4.341 548 HD11 LEU 73 1HD1 LEU 73 25.338 7.741 -2.765 549 HD12 LEU 73 2HD1 LEU 73 23.976 8.608 -2.056 550 HD13 LEU 73 3HD1 LEU 73 25.128 9.463 -3.082 551 HD21 LEU 73 3HD2 LEU 73 21.701 8.100 -4.681 552 HD22 LEU 73 1HD2 LEU 73 22.161 9.569 -3.820 553 HD23 LEU 73 2HD2 LEU 73 22.006 8.046 -2.944 554 H SER 74 H SER 74 22.437 11.160 -6.729 555 HA SER 74 HA SER 74 23.135 11.939 -9.331 556 HB2 SER 74 2HB SER 74 22.829 14.328 -8.201 557 HB3 SER 74 3HB SER 74 21.452 13.268 -8.497 558 HG SER 74 HG SER 74 22.102 14.276 -6.224 559 H ARG 75 H ARG 75 24.460 13.356 -6.339 560 HA ARG 75 HA ARG 75 26.874 14.104 -7.777 561 HB2 ARG 75 2HB ARG 75 25.489 15.468 -5.958 562 HB3 ARG 75 3HB ARG 75 26.561 14.611 -4.859 563 HG2 ARG 75 2HG ARG 75 27.770 16.509 -5.215 564 HG3 ARG 75 3HG ARG 75 28.415 15.486 -6.500 565 HD2 ARG 75 2HD ARG 75 26.759 16.502 -8.054 566 HD3 ARG 75 3HD ARG 75 26.282 17.600 -6.760 567 HE ARG 75 HE ARG 75 28.936 18.009 -6.918 568 HH11 ARG 75 1HH1 ARG 75 26.418 17.946 -9.322 569 HH12 ARG 75 2HH1 ARG 75 27.205 19.085 -10.364 570 HH21 ARG 75 1HH2 ARG 75 29.981 19.509 -8.282 571 HH22 ARG 75 2HH2 ARG 75 29.232 19.973 -9.772 572 H ASP 76 H ASP 76 28.546 12.773 -7.880 573 HA ASP 76 HA ASP 76 28.806 10.356 -6.557 574 HB2 ASP 76 2HB ASP 76 30.747 12.153 -7.962 575 HB3 ASP 76 3HB ASP 76 31.348 10.738 -7.102 576 H ASN 77 H ASN 77 28.960 9.997 -4.450 577 HA ASN 77 HA ASN 77 29.448 10.252 -2.237 578 HB2 ASN 77 2HB ASN 77 32.021 11.096 -3.565 579 HB3 ASN 77 3HB ASN 77 31.870 10.977 -1.814 580 HD21 ASN 77 1HD2 ASN 77 33.516 9.369 -1.920 581 HD22 ASN 77 2HD2 ASN 77 33.120 7.744 -2.356 582 H ASP 78 H ASP 78 27.779 12.012 -2.313 583 HA ASP 78 HA ASP 78 28.575 14.185 -0.750 584 HB2 ASP 78 2HB ASP 78 28.802 14.603 -3.638 585 HB3 ASP 78 3HB ASP 78 27.786 15.801 -2.842 586 H ALA 79 H ALA 79 26.709 13.186 0.248 587 HA ALA 79 HA ALA 79 24.208 14.354 -0.754 588 HB1 ALA 79 1HB ALA 79 22.987 12.398 -0.577 589 HB2 ALA 79 2HB ALA 79 24.519 11.825 -1.237 590 HB3 ALA 79 3HB ALA 79 24.173 11.631 0.481 591 H SER 80 H SER 80 24.758 15.959 0.891 592 HA SER 80 HA SER 80 24.928 15.287 3.639 593 HB2 SER 80 2HB SER 80 25.734 17.436 2.615 594 HB3 SER 80 3HB SER 80 24.049 17.932 2.463 595 HG SER 80 HG SER 80 25.642 17.689 4.735 596 H SER 81 H SER 81 22.290 16.921 1.875 597 HA SER 81 HA SER 81 20.399 15.685 3.769 598 HB2 SER 81 2HB SER 81 20.416 18.018 4.259 599 HB3 SER 81 3HB SER 81 20.375 18.448 2.549 600 HG SER 81 HG SER 81 18.311 18.667 3.189 601 H VAL 82 H VAL 82 18.400 14.999 2.958 602 HA VAL 82 HA VAL 82 17.996 15.100 0.064 603 HB VAL 82 HB VAL 82 17.560 12.452 1.352 604 HG11 VAL 82 1HG1 VAL 82 17.392 11.738 -0.763 605 HG12 VAL 82 2HG1 VAL 82 17.258 13.448 -1.179 606 HG13 VAL 82 3HG1 VAL 82 18.820 12.634 -1.278 607 HG21 VAL 82 3HG2 VAL 82 19.938 11.855 0.648 608 HG22 VAL 82 1HG2 VAL 82 20.250 13.590 0.654 609 HG23 VAL 82 2HG2 VAL 82 19.750 12.780 2.138 610 H ARG 83 H ARG 83 15.859 14.920 -0.583 611 HA ARG 83 HA ARG 83 13.885 14.938 1.604 612 HB2 ARG 83 2HB ARG 83 13.921 17.090 0.578 613 HB3 ARG 83 3HB ARG 83 13.917 16.393 -1.036 614 HG2 ARG 83 2HG ARG 83 11.636 15.495 -0.554 615 HG3 ARG 83 3HG ARG 83 11.658 16.421 0.948 616 HD2 ARG 83 2HD ARG 83 12.205 18.437 -0.557 617 HD3 ARG 83 3HD ARG 83 11.648 17.415 -1.881 618 HE ARG 83 HE ARG 83 9.491 17.683 -1.145 619 HH11 ARG 83 1HH1 ARG 83 11.701 18.787 1.308 620 HH12 ARG 83 2HH1 ARG 83 10.462 19.492 2.292 621 HH21 ARG 83 1HH2 ARG 83 7.850 18.608 0.142 622 HH22 ARG 83 2HH2 ARG 83 8.272 19.389 1.628 623 H VAL 84 H VAL 84 11.993 13.769 1.384 624 HA VAL 84 HA VAL 84 11.724 12.081 -1.006 625 HB VAL 84 HB VAL 84 11.263 10.114 0.291 626 HG11 VAL 84 1HG1 VAL 84 13.792 11.542 1.065 627 HG12 VAL 84 2HG1 VAL 84 13.471 9.869 1.526 628 HG13 VAL 84 3HG1 VAL 84 13.562 10.314 -0.179 629 HG21 VAL 84 3HG2 VAL 84 11.028 12.041 2.471 630 HG22 VAL 84 1HG2 VAL 84 10.303 10.444 2.285 631 HG23 VAL 84 2HG2 VAL 84 11.947 10.599 2.904 632 H SER 85 H SER 85 9.666 11.738 -1.683 633 HA SER 85 HA SER 85 7.393 12.161 0.018 634 HB2 SER 85 2HB SER 85 7.664 14.063 -2.309 635 HB3 SER 85 3HB SER 85 6.475 14.096 -1.008 636 HG SER 85 HG SER 85 7.825 15.222 0.127 637 H LYS 86 H LYS 86 5.338 11.822 -1.154 638 HA LYS 86 HA LYS 86 5.744 9.914 -3.348 639 HB2 LYS 86 2HB LYS 86 3.403 10.297 -1.473 640 HB3 LYS 86 3HB LYS 86 3.457 9.116 -2.775 641 HG2 LYS 86 2HG LYS 86 4.247 7.700 -1.256 642 HG3 LYS 86 3HG LYS 86 5.764 8.594 -1.375 643 HD2 LYS 86 2HD LYS 86 5.160 8.414 0.943 644 HD3 LYS 86 3HD LYS 86 4.953 10.093 0.438 645 HE2 LYS 86 2HE LYS 86 2.588 9.840 0.301 646 HE3 LYS 86 3HE LYS 86 2.703 8.092 0.502 647 HZ1 LYS 86 3HZ LYS 86 3.908 9.551 2.658 648 HZ2 LYS 86 1HZ LYS 86 2.779 8.292 2.705 649 HZ3 LYS 86 2HZ LYS 86 2.259 9.887 2.488 650 H MET 87 H MET 87 5.114 10.397 -5.347 651 HA MET 87 HA MET 87 3.843 12.926 -5.880 652 HB2 MET 87 2HB MET 87 5.655 11.463 -7.249 653 HB3 MET 87 3HB MET 87 4.184 10.977 -8.080 654 HG2 MET 87 2HG MET 87 4.866 13.860 -7.639 655 HG3 MET 87 3HG MET 87 5.487 12.954 -9.016 656 HE1 MET 87 3HE MET 87 3.140 15.382 -7.986 657 HE2 MET 87 1HE MET 87 3.747 15.591 -9.629 658 HE3 MET 87 2HE MET 87 2.015 15.420 -9.344 659 H GLU 88 H GLU 88 3.029 9.509 -6.455 660 HA GLU 88 HA GLU 88 0.570 9.829 -7.667 661 HB2 GLU 88 2HB GLU 88 2.004 7.702 -6.375 662 HB3 GLU 88 3HB GLU 88 0.309 7.628 -5.916 663 HG2 GLU 88 2HG GLU 88 0.817 8.053 -8.778 664 HG3 GLU 88 3HG GLU 88 1.338 6.497 -8.135 665 H THR 89 H THR 89 1.439 10.212 -4.315 666 HA THR 89 HA THR 89 -1.383 10.760 -3.662 667 HB THR 89 HB THR 89 0.802 10.080 -1.689 668 HG1 THR 89 HG1 THR 89 0.236 8.339 -3.195 669 HG21 THR 89 3HG2 THR 89 -2.166 9.850 -1.290 670 HG22 THR 89 1HG2 THR 89 -1.316 11.366 -0.995 671 HG23 THR 89 2HG2 THR 89 -0.889 9.922 -0.076 672 H THR 90 H THR 90 -0.768 12.889 -4.721 673 HA THR 90 HA THR 90 0.661 14.657 -2.860 674 HB THR 90 HB THR 90 1.531 14.768 -5.111 675 HG1 THR 90 HG1 THR 90 1.169 16.766 -3.838 676 HG21 THR 90 3HG2 THR 90 -0.157 14.033 -6.535 677 HG22 THR 90 1HG2 THR 90 -0.072 15.757 -6.892 678 HG23 THR 90 2HG2 THR 90 -1.352 15.134 -5.850 679 H ASN 91 H ASN 91 -0.253 16.631 -2.198 680 HA ASN 91 HA ASN 91 -3.087 17.061 -2.776 681 HB2 ASN 91 2HB ASN 91 -2.012 17.011 0.051 682 HB3 ASN 91 3HB ASN 91 -3.684 17.260 -0.443 683 HD21 ASN 91 1HD2 ASN 91 -4.628 15.442 -1.745 684 HD22 ASN 91 2HD2 ASN 91 -4.247 13.836 -1.234 Start of MODEL 15 1 H GLY 1 H GLY 1 2.537 -1.509 0.970 2 HA2 GLY 1 2HA GLY 1 3.177 0.972 2.411 3 HA3 GLY 1 3HA GLY 1 4.079 -0.533 2.512 4 H GLU 2 H GLU 2 3.082 1.755 -0.041 5 HA GLU 2 HA GLU 2 5.848 1.647 -1.051 6 HB2 GLU 2 2HB GLU 2 3.330 2.099 -2.661 7 HB3 GLU 2 3HB GLU 2 4.968 2.023 -3.296 8 HG2 GLU 2 2HG GLU 2 4.987 -0.208 -3.316 9 HG3 GLU 2 3HG GLU 2 4.197 -0.326 -1.745 10 H LYS 3 H LYS 3 5.263 3.446 0.911 11 HA LYS 3 HA LYS 3 5.169 5.999 -0.558 12 HB2 LYS 3 2HB LYS 3 4.186 7.027 1.452 13 HB3 LYS 3 3HB LYS 3 3.160 5.759 0.795 14 HG2 LYS 3 2HG LYS 3 5.081 5.018 2.931 15 HG3 LYS 3 3HG LYS 3 3.659 5.962 3.380 16 HD2 LYS 3 2HD LYS 3 3.073 3.718 1.597 17 HD3 LYS 3 3HD LYS 3 3.749 3.233 3.153 18 HE2 LYS 3 2HE LYS 3 2.025 4.667 4.257 19 HE3 LYS 3 3HE LYS 3 1.301 4.924 2.670 20 HZ1 LYS 3 3HZ LYS 3 0.898 2.787 4.423 21 HZ2 LYS 3 1HZ LYS 3 1.668 2.172 3.047 22 HZ3 LYS 3 2HZ LYS 3 0.215 3.025 2.894 23 H THR 4 H THR 4 7.449 4.269 0.191 24 HA THR 4 HA THR 4 9.022 6.334 1.528 25 HB THR 4 HB THR 4 10.138 4.697 2.993 26 HG1 THR 4 HG1 THR 4 8.121 2.929 2.021 27 HG21 THR 4 3HG2 THR 4 8.583 4.838 4.673 28 HG22 THR 4 1HG2 THR 4 7.245 4.368 3.624 29 HG23 THR 4 2HG2 THR 4 7.903 6.002 3.536 30 H VAL 5 H VAL 5 11.238 6.281 1.042 31 HA VAL 5 HA VAL 5 11.896 4.646 -1.311 32 HB VAL 5 HB VAL 5 12.094 6.981 -1.787 33 HG11 VAL 5 1HG1 VAL 5 13.052 7.114 0.927 34 HG12 VAL 5 2HG1 VAL 5 14.153 7.949 -0.170 35 HG13 VAL 5 3HG1 VAL 5 12.450 8.403 -0.115 36 HG21 VAL 5 3HG2 VAL 5 13.869 5.441 -2.632 37 HG22 VAL 5 1HG2 VAL 5 14.374 7.126 -2.503 38 HG23 VAL 5 2HG2 VAL 5 14.885 5.957 -1.286 39 H LYS 6 H LYS 6 13.344 3.070 -1.141 40 HA LYS 6 HA LYS 6 14.809 2.747 1.351 41 HB2 LYS 6 2HB LYS 6 14.851 0.884 -1.019 42 HB3 LYS 6 3HB LYS 6 15.225 0.511 0.659 43 HG2 LYS 6 2HG LYS 6 13.147 -0.307 0.714 44 HG3 LYS 6 3HG LYS 6 12.660 1.383 0.866 45 HD2 LYS 6 2HD LYS 6 12.889 1.158 -1.825 46 HD3 LYS 6 3HD LYS 6 12.376 -0.476 -1.398 47 HE2 LYS 6 2HE LYS 6 10.900 1.695 -0.071 48 HE3 LYS 6 3HE LYS 6 10.688 1.602 -1.819 49 HZ1 LYS 6 3HZ LYS 6 10.517 -0.978 -0.669 50 HZ2 LYS 6 1HZ LYS 6 9.361 -0.137 -1.574 51 HZ3 LYS 6 2HZ LYS 6 9.433 0.065 0.104 52 H LEU 7 H LEU 7 16.624 3.923 1.467 53 HA LEU 7 HA LEU 7 18.230 4.532 -0.825 54 HB2 LEU 7 2HB LEU 7 19.120 4.830 2.022 55 HB3 LEU 7 3HB LEU 7 19.572 5.795 0.618 56 HG LEU 7 HG LEU 7 16.850 5.818 1.920 57 HD11 LEU 7 1HD1 LEU 7 18.117 8.301 2.179 58 HD12 LEU 7 2HD1 LEU 7 19.307 7.097 2.670 59 HD13 LEU 7 3HD1 LEU 7 17.731 7.150 3.458 60 HD21 LEU 7 3HD2 LEU 7 17.069 6.373 -0.556 61 HD22 LEU 7 1HD2 LEU 7 17.982 7.792 -0.041 62 HD23 LEU 7 2HD2 LEU 7 16.308 7.587 0.474 63 H TYR 8 H TYR 8 19.850 3.391 -1.660 64 HA TYR 8 HA TYR 8 20.859 1.090 -0.131 65 HB2 TYR 8 2HB TYR 8 20.200 1.519 -2.964 66 HB3 TYR 8 3HB TYR 8 21.730 0.689 -2.697 67 HD1 TYR 8 HD1 TYR 8 18.192 0.576 -1.488 68 HD2 TYR 8 HD2 TYR 8 21.689 -1.611 -2.534 69 HE1 TYR 8 HE1 TYR 8 16.978 -1.531 -1.119 70 HE2 TYR 8 HE2 TYR 8 20.483 -3.724 -2.170 71 HH TYR 8 HH TYR 8 17.079 -3.847 -1.737 72 H GLU 9 H GLU 9 22.759 1.427 0.798 73 HA GLU 9 HA GLU 9 24.501 3.546 0.145 74 HB2 GLU 9 2HB GLU 9 25.936 2.706 1.818 75 HB3 GLU 9 3HB GLU 9 24.313 2.303 2.360 76 HG2 GLU 9 2HG GLU 9 26.218 0.420 0.988 77 HG3 GLU 9 3HG GLU 9 25.883 0.470 2.718 78 H ASP 10 H ASP 10 24.031 0.509 -1.288 79 HA ASP 10 HA ASP 10 26.553 0.801 -2.782 80 HB2 ASP 10 2HB ASP 10 25.439 -1.554 -1.392 81 HB3 ASP 10 3HB ASP 10 26.053 -1.859 -3.014 82 H THR 11 H THR 11 26.498 0.273 -4.983 83 HA THR 11 HA THR 11 23.943 0.709 -6.234 84 HB THR 11 HB THR 11 25.996 1.729 -7.147 85 HG1 THR 11 HG1 THR 11 25.555 1.097 -9.349 86 HG21 THR 11 3HG2 THR 11 27.708 0.474 -8.183 87 HG22 THR 11 1HG2 THR 11 26.766 -1.015 -8.118 88 HG23 THR 11 2HG2 THR 11 27.421 -0.320 -6.635 89 H HIS 12 H HIS 12 23.350 -0.672 -8.182 90 HA HIS 12 HA HIS 12 22.639 -2.657 -9.036 91 HB2 HIS 12 2HB HIS 12 25.260 -2.993 -8.867 92 HB3 HIS 12 3HB HIS 12 24.803 -4.168 -7.638 93 HD1 HIS 12 HD1 HIS 12 24.906 -3.631 -11.290 94 HD2 HIS 12 HD2 HIS 12 23.290 -6.381 -8.628 95 HE1 HIS 12 HE1 HIS 12 24.258 -5.618 -12.688 96 H PHE 13 H PHE 13 21.678 -1.738 -6.470 97 HA PHE 13 HA PHE 13 20.454 -2.425 -4.675 98 HB2 PHE 13 2HB PHE 13 20.042 -4.892 -6.377 99 HB3 PHE 13 3HB PHE 13 19.018 -4.363 -5.046 100 HD1 PHE 13 HD2 PHE 13 17.936 -2.027 -5.287 101 HD2 PHE 13 HD1 PHE 13 19.548 -4.250 -8.539 102 HE1 PHE 13 HE2 PHE 13 16.577 -0.709 -6.857 103 HE2 PHE 13 HE1 PHE 13 18.192 -2.934 -10.115 104 HZ PHE 13 HZ PHE 13 16.703 -1.161 -9.275 105 H LYS 14 H LYS 14 22.991 -2.704 -4.040 106 HA LYS 14 HA LYS 14 23.243 -5.397 -2.871 107 HB2 LYS 14 2HB LYS 14 25.067 -3.922 -4.428 108 HB3 LYS 14 3HB LYS 14 25.695 -3.881 -2.785 109 HG2 LYS 14 2HG LYS 14 26.530 -5.904 -3.093 110 HG3 LYS 14 3HG LYS 14 24.888 -6.531 -3.261 111 HD2 LYS 14 2HD LYS 14 25.814 -7.200 -5.256 112 HD3 LYS 14 3HD LYS 14 25.131 -5.638 -5.715 113 HE2 LYS 14 2HE LYS 14 27.192 -5.252 -6.531 114 HE3 LYS 14 3HE LYS 14 27.582 -4.884 -4.851 115 HZ1 LYS 14 3HZ LYS 14 29.158 -6.434 -5.911 116 HZ2 LYS 14 1HZ LYS 14 27.908 -7.559 -6.096 117 HZ3 LYS 14 2HZ LYS 14 28.406 -7.096 -4.548 118 H GLY 15 H GLY 15 24.039 -5.573 -0.718 119 HA2 GLY 15 2HA GLY 15 24.486 -4.839 1.443 120 HA3 GLY 15 3HA GLY 15 24.329 -3.180 0.883 121 H TYR 16 H TYR 16 23.031 -2.525 2.584 122 HA TYR 16 HA TYR 16 20.454 -3.882 2.914 123 HB2 TYR 16 2HB TYR 16 20.238 -2.508 4.963 124 HB3 TYR 16 3HB TYR 16 21.693 -3.498 4.969 125 HD1 TYR 16 HD1 TYR 16 20.457 -0.051 4.355 126 HD2 TYR 16 HD2 TYR 16 23.812 -2.516 5.233 127 HE1 TYR 16 HE1 TYR 16 21.813 1.956 4.781 128 HE2 TYR 16 HE2 TYR 16 25.177 -0.516 5.663 129 HH TYR 16 HH TYR 16 24.310 2.174 6.422 130 H SER 17 H SER 17 18.795 -1.980 3.769 131 HA SER 17 HA SER 17 18.809 0.187 1.800 132 HB2 SER 17 2HB SER 17 16.156 -1.016 2.159 133 HB3 SER 17 3HB SER 17 16.962 -0.482 0.684 134 HG SER 17 HG SER 17 17.867 -2.806 1.962 135 H VAL 18 H VAL 18 17.810 2.052 2.463 136 HA VAL 18 HA VAL 18 16.795 2.049 5.231 137 HB VAL 18 HB VAL 18 18.198 4.269 3.737 138 HG11 VAL 18 1HG1 VAL 18 16.475 5.168 5.194 139 HG12 VAL 18 2HG1 VAL 18 17.093 4.213 6.544 140 HG13 VAL 18 3HG1 VAL 18 18.074 5.507 5.854 141 HG21 VAL 18 3HG2 VAL 18 20.029 3.192 4.437 142 HG22 VAL 18 1HG2 VAL 18 19.590 3.751 6.051 143 HG23 VAL 18 2HG2 VAL 18 19.106 2.143 5.513 144 H GLU 19 H GLU 19 14.630 2.049 5.096 145 HA GLU 19 HA GLU 19 13.338 3.809 3.131 146 HB2 GLU 19 2HB GLU 19 11.269 2.495 3.727 147 HB3 GLU 19 3HB GLU 19 12.540 1.578 2.933 148 HG2 GLU 19 2HG GLU 19 12.640 1.571 5.867 149 HG3 GLU 19 3HG GLU 19 11.238 0.777 5.154 150 H LEU 20 H LEU 20 12.218 5.555 3.746 151 HA LEU 20 HA LEU 20 11.288 5.813 6.494 152 HB2 LEU 20 2HB LEU 20 12.279 8.168 6.527 153 HB3 LEU 20 3HB LEU 20 13.361 6.809 6.822 154 HG LEU 20 HG LEU 20 13.389 7.402 4.033 155 HD11 LEU 20 1HD1 LEU 20 12.675 9.677 5.278 156 HD12 LEU 20 2HD1 LEU 20 13.688 9.626 3.836 157 HD13 LEU 20 3HD1 LEU 20 14.430 9.779 5.428 158 HD21 LEU 20 3HD2 LEU 20 15.119 6.529 5.921 159 HD22 LEU 20 1HD2 LEU 20 15.673 8.190 5.708 160 HD23 LEU 20 2HD2 LEU 20 15.599 7.101 4.323 161 HA PRO 21 HA PRO 21 7.877 7.823 4.593 162 HB2 PRO 21 2HB PRO 21 7.046 9.428 6.619 163 HB3 PRO 21 3HB PRO 21 6.820 7.675 6.627 164 HG2 PRO 21 2HG PRO 21 8.920 9.321 7.985 165 HG3 PRO 21 3HG PRO 21 8.000 7.942 8.614 166 HD2 PRO 21 2HD PRO 21 10.540 7.706 7.706 167 HD3 PRO 21 3HD PRO 21 9.347 6.400 7.556 168 H VAL 22 H VAL 22 6.936 10.050 4.204 169 HA VAL 22 HA VAL 22 8.693 11.683 2.864 170 HB VAL 22 HB VAL 22 6.310 11.881 2.523 171 HG11 VAL 22 1HG1 VAL 22 5.603 11.471 4.837 172 HG12 VAL 22 2HG1 VAL 22 6.178 13.077 5.290 173 HG13 VAL 22 3HG1 VAL 22 4.834 12.906 4.160 174 HG21 VAL 22 3HG2 VAL 22 6.078 14.341 2.567 175 HG22 VAL 22 1HG2 VAL 22 7.523 14.434 3.574 176 HG23 VAL 22 2HG2 VAL 22 7.634 13.814 1.927 177 H GLY 23 H GLY 23 9.844 13.536 3.313 178 HA2 GLY 23 2HA GLY 23 9.829 15.285 5.330 179 HA3 GLY 23 3HA GLY 23 10.566 13.893 6.109 180 H ASP 24 H ASP 24 12.357 15.456 6.386 181 HA ASP 24 HA ASP 24 14.179 15.264 4.096 182 HB2 ASP 24 2HB ASP 24 14.987 17.635 4.988 183 HB3 ASP 24 3HB ASP 24 13.705 17.487 3.788 184 H TYR 25 H TYR 25 16.192 14.645 4.622 185 HA TYR 25 HA TYR 25 16.985 14.755 7.453 186 HB2 TYR 25 2HB TYR 25 18.192 12.516 6.901 187 HB3 TYR 25 3HB TYR 25 16.468 12.495 7.260 188 HD1 TYR 25 HD2 TYR 25 14.879 12.643 5.191 189 HD2 TYR 25 HD1 TYR 25 18.966 11.478 4.977 190 HE1 TYR 25 HE2 TYR 25 14.442 11.525 3.044 191 HE2 TYR 25 HE1 TYR 25 18.540 10.358 2.829 192 HH TYR 25 HH TYR 25 17.055 9.951 1.227 193 H ASN 26 H ASN 26 19.041 15.378 7.849 194 HA ASN 26 HA ASN 26 20.659 16.134 5.526 195 HB2 ASN 26 2HB ASN 26 21.150 16.935 8.394 196 HB3 ASN 26 3HB ASN 26 21.760 17.706 6.932 197 HD21 ASN 26 1HD2 ASN 26 19.702 18.139 9.357 198 HD22 ASN 26 2HD2 ASN 26 18.488 19.096 8.585 199 H LEU 27 H LEU 27 23.158 16.270 6.607 200 HA LEU 27 HA LEU 27 24.177 13.725 6.282 201 HB2 LEU 27 2HB LEU 27 25.694 15.480 6.073 202 HB3 LEU 27 3HB LEU 27 25.238 16.181 7.624 203 HG LEU 27 HG LEU 27 26.537 13.509 7.648 204 HD11 LEU 27 1HD1 LEU 27 28.706 14.303 7.312 205 HD12 LEU 27 2HD1 LEU 27 28.206 15.990 7.416 206 HD13 LEU 27 3HD1 LEU 27 27.775 15.029 6.002 207 HD21 LEU 27 3HD2 LEU 27 26.086 14.188 9.785 208 HD22 LEU 27 1HD2 LEU 27 26.287 15.898 9.404 209 HD23 LEU 27 2HD2 LEU 27 27.703 14.863 9.585 210 H SER 28 H SER 28 23.588 15.437 9.349 211 HA SER 28 HA SER 28 24.391 13.355 11.045 212 HB2 SER 28 2HB SER 28 22.726 15.810 11.351 213 HB3 SER 28 3HB SER 28 22.639 14.594 12.625 214 HG SER 28 HG SER 28 25.009 15.818 11.650 215 H SER 29 H SER 29 21.210 14.176 9.719 216 HA SER 29 HA SER 29 19.741 12.211 11.093 217 HB2 SER 29 2HB SER 29 18.696 14.121 9.929 218 HB3 SER 29 3HB SER 29 19.170 13.427 8.378 219 HG SER 29 HG SER 29 17.838 11.650 8.830 220 H LEU 30 H LEU 30 21.737 12.074 8.247 221 HA LEU 30 HA LEU 30 20.757 9.610 7.227 222 HB2 LEU 30 2HB LEU 30 23.125 11.335 6.761 223 HB3 LEU 30 3HB LEU 30 23.228 9.655 6.239 224 HG LEU 30 HG LEU 30 20.915 11.352 5.386 225 HD11 LEU 30 1HD1 LEU 30 23.451 11.194 3.795 226 HD12 LEU 30 2HD1 LEU 30 23.162 12.500 4.944 227 HD13 LEU 30 3HD1 LEU 30 22.069 12.269 3.580 228 HD21 LEU 30 3HD2 LEU 30 21.547 8.719 5.019 229 HD22 LEU 30 1HD2 LEU 30 22.173 9.460 3.546 230 HD23 LEU 30 2HD2 LEU 30 20.477 9.664 3.982 231 H ILE 31 H ILE 31 23.162 10.477 9.613 232 HA ILE 31 HA ILE 31 24.474 7.982 9.778 233 HB ILE 31 HB ILE 31 24.141 9.887 12.085 234 HG12 ILE 31 2HG1 ILE 31 24.795 11.287 10.262 235 HG13 ILE 31 3HG1 ILE 31 26.248 10.967 11.203 236 HG21 ILE 31 1HG2 ILE 31 26.262 7.907 11.284 237 HG22 ILE 31 2HG2 ILE 31 26.470 9.094 12.571 238 HG23 ILE 31 3HG2 ILE 31 25.219 7.858 12.705 239 HD11 ILE 31 3HD1 ILE 31 25.672 10.389 8.438 240 HD12 ILE 31 1HD1 ILE 31 27.213 10.386 9.297 241 HD13 ILE 31 2HD1 ILE 31 26.194 8.946 9.308 242 H SER 32 H SER 32 21.617 9.294 11.368 243 HA SER 32 HA SER 32 21.241 7.409 13.362 244 HB2 SER 32 2HB SER 32 19.837 9.567 12.501 245 HB3 SER 32 3HB SER 32 18.787 8.261 11.951 246 HG SER 32 HG SER 32 19.193 7.466 14.250 247 H ARG 33 H ARG 33 20.110 7.315 9.994 248 HA ARG 33 HA ARG 33 18.923 4.728 10.261 249 HB2 ARG 33 2HB ARG 33 19.556 6.509 7.921 250 HB3 ARG 33 3HB ARG 33 18.945 4.876 7.686 251 HG2 ARG 33 2HG ARG 33 16.869 5.549 8.046 252 HG3 ARG 33 3HG ARG 33 17.319 6.249 9.602 253 HD2 ARG 33 2HD ARG 33 18.143 7.784 7.228 254 HD3 ARG 33 3HD ARG 33 16.404 7.678 7.496 255 HE ARG 33 HE ARG 33 18.268 9.220 8.992 256 HH11 ARG 33 1HH1 ARG 33 15.323 7.383 9.264 257 HH12 ARG 33 2HH1 ARG 33 14.744 8.268 10.637 258 HH21 ARG 33 1HH2 ARG 33 17.517 10.392 10.799 259 HH22 ARG 33 2HH2 ARG 33 15.992 9.979 11.509 260 H GLY 34 H GLY 34 22.096 5.728 10.108 261 HA2 GLY 34 2HA GLY 34 23.884 4.161 10.296 262 HA3 GLY 34 3HA GLY 34 22.946 3.024 9.339 263 H ALA 35 H ALA 35 22.373 5.569 7.601 264 HA ALA 35 HA ALA 35 24.388 4.974 5.656 265 HB1 ALA 35 1HB ALA 35 22.653 5.593 4.403 266 HB2 ALA 35 2HB ALA 35 21.883 6.441 5.745 267 HB3 ALA 35 3HB ALA 35 23.111 7.255 4.776 268 H LEU 36 H LEU 36 26.358 5.812 5.588 269 HA LEU 36 HA LEU 36 27.048 8.107 7.200 270 HB2 LEU 36 2HB LEU 36 29.267 7.563 6.805 271 HB3 LEU 36 3HB LEU 36 28.454 5.999 6.816 272 HG LEU 36 HG LEU 36 28.412 6.602 4.163 273 HD11 LEU 36 1HD1 LEU 36 31.199 7.198 4.486 274 HD12 LEU 36 2HD1 LEU 36 30.218 8.442 5.259 275 HD13 LEU 36 3HD1 LEU 36 29.971 8.057 3.557 276 HD21 LEU 36 3HD2 LEU 36 30.697 5.226 5.565 277 HD22 LEU 36 1HD2 LEU 36 30.106 4.935 3.929 278 HD23 LEU 36 2HD2 LEU 36 29.109 4.499 5.318 279 H ASN 37 H ASN 37 27.608 10.121 6.504 280 HA ASN 37 HA ASN 37 26.462 11.194 4.237 281 HB2 ASN 37 2HB ASN 37 27.573 13.193 4.745 282 HB3 ASN 37 3HB ASN 37 27.480 12.374 6.301 283 HD21 ASN 37 1HD2 ASN 37 29.421 10.907 6.729 284 HD22 ASN 37 2HD2 ASN 37 30.969 11.588 6.372 285 H ASP 38 H ASP 38 26.993 11.360 2.142 286 HA ASP 38 HA ASP 38 28.059 10.976 0.169 287 HB2 ASP 38 2HB ASP 38 30.628 11.348 1.711 288 HB3 ASP 38 3HB ASP 38 30.346 11.652 -0.001 289 H ASP 39 H ASP 39 27.467 8.811 -0.035 290 HA ASP 39 HA ASP 39 29.562 6.967 -0.321 291 HB2 ASP 39 2HB ASP 39 29.721 6.628 1.984 292 HB3 ASP 39 3HB ASP 39 27.985 6.796 2.227 293 H LEU 40 H LEU 40 26.140 7.564 0.094 294 HA LEU 40 HA LEU 40 24.950 5.267 -0.747 295 HB2 LEU 40 2HB LEU 40 24.321 8.144 -1.194 296 HB3 LEU 40 3HB LEU 40 23.363 6.925 -2.032 297 HG LEU 40 HG LEU 40 22.237 7.647 -0.014 298 HD11 LEU 40 1HD1 LEU 40 21.562 5.577 0.628 299 HD12 LEU 40 2HD1 LEU 40 23.207 4.964 0.787 300 HD13 LEU 40 3HD1 LEU 40 22.477 5.125 -0.810 301 HD21 LEU 40 3HD2 LEU 40 23.154 7.581 2.126 302 HD22 LEU 40 1HD2 LEU 40 24.469 8.211 1.134 303 HD23 LEU 40 2HD2 LEU 40 24.474 6.520 1.633 304 H SER 41 H SER 41 24.712 4.133 -2.596 305 HA SER 41 HA SER 41 25.993 5.216 -5.020 306 HB2 SER 41 2HB SER 41 25.983 2.366 -4.000 307 HB3 SER 41 3HB SER 41 26.566 2.846 -5.594 308 HG SER 41 HG SER 41 28.032 2.717 -3.545 309 H SER 42 H SER 42 23.174 4.005 -3.610 310 HA SER 42 HA SER 42 21.721 4.237 -6.072 311 HB2 SER 42 2HB SER 42 22.549 1.597 -5.110 312 HB3 SER 42 3HB SER 42 20.809 1.734 -5.360 313 HG SER 42 HG SER 42 21.581 1.183 -7.316 314 H ALA 43 H ALA 43 19.340 3.417 -5.626 315 HA ALA 43 HA ALA 43 18.359 3.392 -2.989 316 HB1 ALA 43 1HB ALA 43 18.931 5.631 -2.686 317 HB2 ALA 43 2HB ALA 43 18.467 6.071 -4.331 318 HB3 ALA 43 3HB ALA 43 17.226 5.692 -3.136 319 H ARG 44 H ARG 44 16.669 2.112 -3.322 320 HA ARG 44 HA ARG 44 15.205 2.161 -5.807 321 HB2 ARG 44 2HB ARG 44 15.784 0.083 -4.431 322 HB3 ARG 44 3HB ARG 44 14.489 0.575 -3.349 323 HG2 ARG 44 2HG ARG 44 13.740 0.485 -6.180 324 HG3 ARG 44 3HG ARG 44 14.188 -1.071 -5.480 325 HD2 ARG 44 2HD ARG 44 12.606 -0.498 -3.577 326 HD3 ARG 44 3HD ARG 44 12.021 0.816 -4.597 327 HE ARG 44 HE ARG 44 10.846 -0.719 -5.806 328 HH11 ARG 44 1HH1 ARG 44 13.366 -2.369 -4.060 329 HH12 ARG 44 2HH1 ARG 44 12.835 -3.950 -4.527 330 HH21 ARG 44 1HH2 ARG 44 10.137 -2.796 -6.428 331 HH22 ARG 44 2HH2 ARG 44 10.998 -4.192 -5.876 332 H VAL 45 H VAL 45 13.302 3.116 -6.199 333 HA VAL 45 HA VAL 45 11.834 4.269 -3.917 334 HB VAL 45 HB VAL 45 11.230 6.185 -5.273 335 HG11 VAL 45 1HG1 VAL 45 13.070 6.941 -4.237 336 HG12 VAL 45 2HG1 VAL 45 14.017 5.515 -4.665 337 HG13 VAL 45 3HG1 VAL 45 13.817 6.825 -5.830 338 HG21 VAL 45 3HG2 VAL 45 12.542 4.607 -7.417 339 HG22 VAL 45 1HG2 VAL 45 11.102 5.623 -7.476 340 HG23 VAL 45 2HG2 VAL 45 12.703 6.362 -7.477 341 HA PRO 46 HA PRO 46 8.427 1.928 -5.484 342 HB2 PRO 46 2HB PRO 46 6.474 3.127 -4.029 343 HB3 PRO 46 3HB PRO 46 7.618 1.973 -3.334 344 HG2 PRO 46 2HG PRO 46 7.655 4.965 -3.244 345 HG3 PRO 46 3HG PRO 46 7.996 3.803 -1.949 346 HD2 PRO 46 2HD PRO 46 9.956 5.061 -3.329 347 HD3 PRO 46 3HD PRO 46 10.144 3.416 -2.690 348 H SER 47 H SER 47 6.135 2.425 -6.307 349 HA SER 47 HA SER 47 6.376 4.406 -8.379 350 HB2 SER 47 2HB SER 47 4.684 2.095 -7.822 351 HB3 SER 47 3HB SER 47 3.771 3.454 -8.476 352 HG SER 47 HG SER 47 4.620 3.045 -10.342 353 H GLY 48 H GLY 48 5.948 6.480 -8.035 354 HA2 GLY 48 2HA GLY 48 4.365 8.221 -7.661 355 HA3 GLY 48 3HA GLY 48 3.536 7.179 -6.513 356 H LEU 49 H LEU 49 7.003 7.822 -6.628 357 HA LEU 49 HA LEU 49 6.765 9.412 -4.171 358 HB2 LEU 49 2HB LEU 49 7.416 6.877 -3.932 359 HB3 LEU 49 3HB LEU 49 9.001 7.458 -4.440 360 HG LEU 49 HG LEU 49 7.621 8.771 -2.137 361 HD11 LEU 49 1HD1 LEU 49 7.521 6.308 -1.769 362 HD12 LEU 49 2HD1 LEU 49 8.502 7.177 -0.590 363 HD13 LEU 49 3HD1 LEU 49 9.280 6.269 -1.887 364 HD21 LEU 49 3HD2 LEU 49 9.627 9.810 -2.938 365 HD22 LEU 49 1HD2 LEU 49 10.489 8.272 -2.917 366 HD23 LEU 49 2HD2 LEU 49 9.986 9.020 -1.402 367 H ARG 50 H ARG 50 8.043 11.166 -4.107 368 HA ARG 50 HA ARG 50 10.124 11.414 -6.180 369 HB2 ARG 50 2HB ARG 50 8.296 12.875 -6.745 370 HB3 ARG 50 3HB ARG 50 8.235 13.511 -5.106 371 HG2 ARG 50 2HG ARG 50 10.121 14.805 -5.392 372 HG3 ARG 50 3HG ARG 50 10.728 13.810 -6.717 373 HD2 ARG 50 2HD ARG 50 8.753 14.619 -8.065 374 HD3 ARG 50 3HD ARG 50 8.452 15.779 -6.772 375 HE ARG 50 HE ARG 50 11.136 15.944 -7.672 376 HH11 ARG 50 1HH1 ARG 50 7.876 16.794 -8.550 377 HH12 ARG 50 2HH1 ARG 50 8.351 18.156 -9.511 378 HH21 ARG 50 1HH2 ARG 50 11.774 17.734 -8.934 379 HH22 ARG 50 2HH2 ARG 50 10.569 18.689 -9.729 380 H LEU 51 H LEU 51 12.062 12.368 -5.616 381 HA LEU 51 HA LEU 51 12.423 13.307 -2.878 382 HB2 LEU 51 2HB LEU 51 14.624 11.851 -2.969 383 HB3 LEU 51 3HB LEU 51 13.103 11.208 -2.354 384 HG LEU 51 HG LEU 51 13.671 10.807 -5.236 385 HD11 LEU 51 1HD1 LEU 51 14.932 8.682 -4.512 386 HD12 LEU 51 2HD1 LEU 51 15.244 9.559 -3.015 387 HD13 LEU 51 3HD1 LEU 51 15.810 10.211 -4.552 388 HD21 LEU 51 3HD2 LEU 51 11.667 10.022 -3.705 389 HD22 LEU 51 1HD2 LEU 51 12.778 8.702 -3.336 390 HD23 LEU 51 2HD2 LEU 51 12.290 9.004 -5.005 391 H GLU 52 H GLU 52 14.399 14.489 -2.557 392 HA GLU 52 HA GLU 52 15.719 15.331 -5.049 393 HB2 GLU 52 2HB GLU 52 14.619 17.071 -2.847 394 HB3 GLU 52 3HB GLU 52 15.830 17.647 -3.984 395 HG2 GLU 52 2HG GLU 52 14.026 18.341 -5.122 396 HG3 GLU 52 3HG GLU 52 14.023 16.679 -5.710 397 H VAL 53 H VAL 53 17.830 14.996 -4.958 398 HA VAL 53 HA VAL 53 19.123 14.545 -2.393 399 HB VAL 53 HB VAL 53 20.298 14.344 -5.169 400 HG11 VAL 53 1HG1 VAL 53 21.286 13.152 -2.584 401 HG12 VAL 53 2HG1 VAL 53 22.091 13.127 -4.154 402 HG13 VAL 53 3HG1 VAL 53 21.903 14.649 -3.282 403 HG21 VAL 53 3HG2 VAL 53 18.809 12.388 -3.469 404 HG22 VAL 53 1HG2 VAL 53 18.670 12.704 -5.198 405 HG23 VAL 53 2HG2 VAL 53 20.062 11.822 -4.572 406 H PHE 54 H PHE 54 20.351 15.985 -1.370 407 HA PHE 54 HA PHE 54 21.278 18.345 -2.872 408 HB2 PHE 54 2HB PHE 54 20.712 18.442 0.074 409 HB3 PHE 54 3HB PHE 54 20.757 19.761 -1.091 410 HD1 PHE 54 HD1 PHE 54 18.897 19.914 -2.800 411 HD2 PHE 54 HD2 PHE 54 18.703 17.392 0.623 412 HE1 PHE 54 HE1 PHE 54 16.451 19.794 -3.032 413 HE2 PHE 54 HE2 PHE 54 16.256 17.267 0.396 414 HZ PHE 54 HZ PHE 54 15.127 18.468 -1.433 415 H GLN 55 H GLN 55 23.391 18.004 -3.198 416 HA GLN 55 HA GLN 55 25.124 16.439 -1.744 417 HB2 GLN 55 2HB GLN 55 25.739 17.294 -3.914 418 HB3 GLN 55 3HB GLN 55 25.701 18.949 -3.321 419 HG2 GLN 55 2HG GLN 55 27.686 18.727 -2.170 420 HG3 GLN 55 3HG GLN 55 27.556 16.971 -2.081 421 HE21 GLN 55 1HE2 GLN 55 29.794 17.068 -2.812 422 HE22 GLN 55 2HE2 GLN 55 30.115 17.187 -4.505 423 H HIS 56 H HIS 56 24.629 19.949 -1.406 424 HA HIS 56 HA HIS 56 26.349 20.148 0.870 425 HB2 HIS 56 2HB HIS 56 25.129 22.448 1.051 426 HB3 HIS 56 3HB HIS 56 26.218 22.149 -0.301 427 HD1 HIS 56 HD1 HIS 56 22.532 22.290 0.507 428 HD2 HIS 56 HD2 HIS 56 25.063 22.304 -2.788 429 HE1 HIS 56 HE1 HIS 56 21.064 22.816 -1.466 430 H ASN 57 H ASN 57 25.416 21.268 2.910 431 HA ASN 57 HA ASN 57 22.921 19.909 3.690 432 HB2 ASN 57 2HB ASN 57 23.817 19.285 5.772 433 HB3 ASN 57 3HB ASN 57 25.112 18.936 4.630 434 HD21 ASN 57 1HD2 ASN 57 24.712 19.930 7.589 435 HD22 ASN 57 2HD2 ASN 57 25.966 21.109 7.740 436 H ASN 58 H ASN 58 23.411 22.651 2.731 437 HA ASN 58 HA ASN 58 22.187 24.048 4.994 438 HB2 ASN 58 2HB ASN 58 24.646 24.913 3.494 439 HB3 ASN 58 3HB ASN 58 23.591 26.098 4.258 440 HD21 ASN 58 1HD2 ASN 58 23.120 25.713 6.579 441 HD22 ASN 58 2HD2 ASN 58 24.405 25.116 7.568 442 H PHE 59 H PHE 59 21.678 22.975 2.081 443 HA PHE 59 HA PHE 59 20.461 23.577 0.247 444 HB2 PHE 59 2HB PHE 59 19.136 24.941 2.554 445 HB3 PHE 59 3HB PHE 59 18.559 25.282 0.926 446 HD1 PHE 59 HD2 PHE 59 19.123 22.578 3.381 447 HD2 PHE 59 HD1 PHE 59 17.190 23.759 -0.222 448 HE1 PHE 59 HE2 PHE 59 17.775 20.521 3.435 449 HE2 PHE 59 HE1 PHE 59 15.837 21.704 -0.173 450 HZ PHE 59 HZ PHE 59 16.130 20.081 1.656 451 H LYS 60 H LYS 60 22.755 24.779 -0.038 452 HA LYS 60 HA LYS 60 22.157 27.599 -0.648 453 HB2 LYS 60 2HB LYS 60 23.934 27.681 0.853 454 HB3 LYS 60 3HB LYS 60 24.671 26.217 0.215 455 HG2 LYS 60 2HG LYS 60 24.513 28.467 -1.669 456 HG3 LYS 60 3HG LYS 60 25.569 28.711 -0.276 457 HD2 LYS 60 2HD LYS 60 25.917 26.078 -1.423 458 HD3 LYS 60 3HD LYS 60 26.181 27.345 -2.624 459 HE2 LYS 60 2HE LYS 60 27.414 27.945 -0.057 460 HE3 LYS 60 3HE LYS 60 28.013 26.446 -0.764 461 HZ1 LYS 60 3HZ LYS 60 29.068 27.544 -2.384 462 HZ2 LYS 60 1HZ LYS 60 28.925 28.896 -1.378 463 HZ3 LYS 60 2HZ LYS 60 27.807 28.646 -2.622 464 H GLY 61 H GLY 61 24.166 24.879 -1.798 465 HA2 GLY 61 2HA GLY 61 24.582 25.962 -4.380 466 HA3 GLY 61 3HA GLY 61 24.825 24.284 -3.917 467 H VAL 62 H VAL 62 23.944 23.393 -5.755 468 HA VAL 62 HA VAL 62 21.183 24.080 -6.439 469 HB VAL 62 HB VAL 62 21.506 22.815 -8.472 470 HG11 VAL 62 1HG1 VAL 62 22.866 24.316 -9.551 471 HG12 VAL 62 2HG1 VAL 62 22.549 25.186 -8.048 472 HG13 VAL 62 3HG1 VAL 62 24.070 24.319 -8.262 473 HG21 VAL 62 3HG2 VAL 62 22.802 20.963 -7.808 474 HG22 VAL 62 1HG2 VAL 62 23.822 21.867 -8.927 475 HG23 VAL 62 2HG2 VAL 62 24.097 21.988 -7.189 476 H ARG 63 H ARG 63 19.539 22.521 -6.580 477 HA ARG 63 HA ARG 63 19.971 20.197 -4.840 478 HB2 ARG 63 2HB ARG 63 17.476 20.151 -4.693 479 HB3 ARG 63 3HB ARG 63 18.205 21.624 -4.065 480 HG2 ARG 63 2HG ARG 63 17.654 22.777 -6.157 481 HG3 ARG 63 3HG ARG 63 16.895 21.301 -6.757 482 HD2 ARG 63 2HD ARG 63 15.115 21.465 -5.305 483 HD3 ARG 63 3HD ARG 63 16.023 22.425 -4.136 484 HE ARG 63 HE ARG 63 15.652 23.840 -6.573 485 HH11 ARG 63 1HH1 ARG 63 14.027 22.865 -3.652 486 HH12 ARG 63 2HH1 ARG 63 12.914 24.192 -3.674 487 HH21 ARG 63 1HH2 ARG 63 14.191 25.591 -6.613 488 HH22 ARG 63 2HH2 ARG 63 13.007 25.742 -5.359 489 H ASP 64 H ASP 64 18.976 18.162 -5.405 490 HA ASP 64 HA ASP 64 18.801 17.778 -8.322 491 HB2 ASP 64 2HB ASP 64 20.563 16.592 -6.556 492 HB3 ASP 64 3HB ASP 64 19.307 15.371 -6.739 493 H PHE 65 H PHE 65 17.613 15.557 -8.761 494 HA PHE 65 HA PHE 65 15.389 15.042 -6.997 495 HB2 PHE 65 2HB PHE 65 13.694 15.516 -8.807 496 HB3 PHE 65 3HB PHE 65 14.446 16.941 -8.097 497 HD1 PHE 65 HD2 PHE 65 14.186 14.847 -11.082 498 HD2 PHE 65 HD1 PHE 65 15.949 18.325 -9.376 499 HE1 PHE 65 HE2 PHE 65 14.849 15.607 -13.326 500 HE2 PHE 65 HE1 PHE 65 16.614 19.091 -11.617 501 HZ PHE 65 HZ PHE 65 16.066 17.731 -13.596 502 H TYR 66 H TYR 66 14.373 13.090 -7.411 503 HA TYR 66 HA TYR 66 15.073 11.598 -9.806 504 HB2 TYR 66 2HB TYR 66 16.439 11.204 -7.318 505 HB3 TYR 66 3HB TYR 66 15.479 9.773 -7.675 506 HD1 TYR 66 HD2 TYR 66 15.618 9.484 -10.531 507 HD2 TYR 66 HD1 TYR 66 18.648 10.767 -7.834 508 HE1 TYR 66 HE2 TYR 66 17.341 8.718 -12.111 509 HE2 TYR 66 HE1 TYR 66 20.379 10.006 -9.407 510 HH TYR 66 HH TYR 66 19.604 8.131 -12.226 511 H THR 67 H THR 67 13.380 10.461 -10.486 512 HA THR 67 HA THR 67 11.319 9.692 -8.527 513 HB THR 67 HB THR 67 10.507 11.615 -9.807 514 HG1 THR 67 HG1 THR 67 8.611 10.675 -9.855 515 HG21 THR 67 3HG2 THR 67 10.822 11.874 -12.005 516 HG22 THR 67 1HG2 THR 67 10.196 10.264 -12.357 517 HG23 THR 67 2HG2 THR 67 11.893 10.475 -11.925 518 H SER 68 H SER 68 13.322 7.956 -9.247 519 HA SER 68 HA SER 68 11.856 5.738 -10.212 520 HB2 SER 68 2HB SER 68 13.330 7.313 -12.190 521 HB3 SER 68 3HB SER 68 13.802 5.614 -12.171 522 HG SER 68 HG SER 68 11.130 6.557 -12.354 523 H ASP 69 H ASP 69 13.357 3.808 -10.575 524 HA ASP 69 HA ASP 69 14.876 3.344 -8.318 525 HB2 ASP 69 2HB ASP 69 15.940 1.479 -9.746 526 HB3 ASP 69 3HB ASP 69 14.196 1.438 -9.502 527 H ALA 70 H ALA 70 16.494 4.672 -7.732 528 HA ALA 70 HA ALA 70 18.358 5.757 -9.634 529 HB1 ALA 70 1HB ALA 70 17.788 7.142 -7.788 530 HB2 ALA 70 2HB ALA 70 18.213 5.881 -6.629 531 HB3 ALA 70 3HB ALA 70 19.475 6.668 -7.578 532 H ALA 71 H ALA 71 19.396 3.983 -10.563 533 HA ALA 71 HA ALA 71 20.667 1.954 -9.009 534 HB1 ALA 71 1HB ALA 71 20.250 1.114 -11.072 535 HB2 ALA 71 2HB ALA 71 20.505 2.663 -11.877 536 HB3 ALA 71 3HB ALA 71 21.889 1.696 -11.368 537 H GLU 72 H GLU 72 21.488 5.151 -9.793 538 HA GLU 72 HA GLU 72 24.168 4.747 -8.702 539 HB2 GLU 72 2HB GLU 72 23.960 4.895 -11.369 540 HB3 GLU 72 3HB GLU 72 23.982 6.615 -11.005 541 HG2 GLU 72 2HG GLU 72 26.044 5.369 -9.506 542 HG3 GLU 72 3HG GLU 72 26.157 4.815 -11.176 543 H LEU 73 H LEU 73 24.704 6.270 -7.265 544 HA LEU 73 HA LEU 73 22.915 8.107 -6.258 545 HB2 LEU 73 2HB LEU 73 25.200 7.241 -5.361 546 HB3 LEU 73 3HB LEU 73 25.850 8.668 -6.165 547 HG LEU 73 HG LEU 73 25.384 8.883 -3.691 548 HD11 LEU 73 1HD1 LEU 73 25.237 10.703 -5.728 549 HD12 LEU 73 2HD1 LEU 73 25.242 11.089 -4.007 550 HD13 LEU 73 3HD1 LEU 73 23.714 10.961 -4.877 551 HD21 LEU 73 3HD2 LEU 73 23.175 9.112 -2.911 552 HD22 LEU 73 1HD2 LEU 73 23.176 7.644 -3.887 553 HD23 LEU 73 2HD2 LEU 73 22.513 9.140 -4.546 554 H SER 74 H SER 74 22.567 10.302 -6.494 555 HA SER 74 HA SER 74 22.551 11.408 -8.998 556 HB2 SER 74 2HB SER 74 22.479 12.591 -6.251 557 HB3 SER 74 3HB SER 74 22.609 13.672 -7.638 558 HG SER 74 HG SER 74 20.705 12.717 -8.463 559 H ARG 75 H ARG 75 24.294 11.492 -10.283 560 HA ARG 75 HA ARG 75 26.273 12.216 -11.146 561 HB2 ARG 75 2HB ARG 75 25.588 14.200 -9.159 562 HB3 ARG 75 3HB ARG 75 27.331 13.988 -9.245 563 HG2 ARG 75 2HG ARG 75 27.324 15.359 -10.983 564 HG3 ARG 75 3HG ARG 75 26.500 14.093 -11.897 565 HD2 ARG 75 2HD ARG 75 25.279 16.392 -10.388 566 HD3 ARG 75 3HD ARG 75 25.190 16.057 -12.117 567 HE ARG 75 HE ARG 75 23.544 14.937 -10.049 568 HH11 ARG 75 1HH1 ARG 75 24.843 14.447 -13.242 569 HH12 ARG 75 2HH1 ARG 75 23.578 13.368 -13.732 570 HH21 ARG 75 1HH2 ARG 75 21.874 13.518 -10.683 571 HH22 ARG 75 2HH2 ARG 75 21.890 12.842 -12.276 572 H ASP 76 H ASP 76 27.137 12.668 -7.742 573 HA ASP 76 HA ASP 76 28.812 10.263 -7.862 574 HB2 ASP 76 2HB ASP 76 29.937 12.695 -8.243 575 HB3 ASP 76 3HB ASP 76 30.014 12.590 -6.486 576 H ASN 77 H ASN 77 29.486 9.478 -5.756 577 HA ASN 77 HA ASN 77 27.378 9.512 -3.877 578 HB2 ASN 77 2HB ASN 77 29.100 8.293 -2.415 579 HB3 ASN 77 3HB ASN 77 28.662 7.536 -3.944 580 HD21 ASN 77 1HD2 ASN 77 30.658 6.382 -3.743 581 HD22 ASN 77 2HD2 ASN 77 32.140 7.131 -4.220 582 H ASP 78 H ASP 78 27.047 11.684 -3.296 583 HA ASP 78 HA ASP 78 28.495 12.528 -0.999 584 HB2 ASP 78 2HB ASP 78 29.957 13.235 -3.010 585 HB3 ASP 78 3HB ASP 78 28.714 14.448 -3.304 586 H ALA 79 H ALA 79 26.106 12.154 -0.617 587 HA ALA 79 HA ALA 79 24.605 14.635 -1.153 588 HB1 ALA 79 1HB ALA 79 23.481 11.875 -0.688 589 HB2 ALA 79 2HB ALA 79 22.556 13.339 -1.027 590 HB3 ALA 79 3HB ALA 79 23.631 12.671 -2.256 591 H SER 80 H SER 80 25.195 15.749 0.686 592 HA SER 80 HA SER 80 25.323 14.682 3.278 593 HB2 SER 80 2HB SER 80 24.777 17.529 2.402 594 HB3 SER 80 3HB SER 80 25.217 17.040 4.038 595 HG SER 80 HG SER 80 26.941 17.778 2.483 596 H SER 81 H SER 81 22.739 16.602 1.746 597 HA SER 81 HA SER 81 20.854 15.421 3.680 598 HB2 SER 81 2HB SER 81 20.935 17.682 4.307 599 HB3 SER 81 3HB SER 81 21.056 18.236 2.638 600 HG SER 81 HG SER 81 18.771 16.956 3.728 601 H VAL 82 H VAL 82 18.829 14.814 2.927 602 HA VAL 82 HA VAL 82 18.291 15.093 0.063 603 HB VAL 82 HB VAL 82 17.806 12.409 1.266 604 HG11 VAL 82 1HG1 VAL 82 17.253 13.441 -1.144 605 HG12 VAL 82 2HG1 VAL 82 18.864 12.798 -1.465 606 HG13 VAL 82 3HG1 VAL 82 17.587 11.730 -0.882 607 HG21 VAL 82 3HG2 VAL 82 20.050 12.576 1.900 608 HG22 VAL 82 1HG2 VAL 82 20.109 11.767 0.334 609 HG23 VAL 82 2HG2 VAL 82 20.487 13.485 0.453 610 H ARG 83 H ARG 83 16.094 14.844 -0.514 611 HA ARG 83 HA ARG 83 14.238 14.972 1.772 612 HB2 ARG 83 2HB ARG 83 14.545 16.658 -0.610 613 HB3 ARG 83 3HB ARG 83 12.889 16.146 -0.312 614 HG2 ARG 83 2HG ARG 83 12.920 17.116 1.880 615 HG3 ARG 83 3HG ARG 83 14.640 17.482 1.738 616 HD2 ARG 83 2HD ARG 83 14.272 19.327 0.508 617 HD3 ARG 83 3HD ARG 83 12.981 18.566 -0.422 618 HE ARG 83 HE ARG 83 12.072 19.065 2.191 619 HH11 ARG 83 1HH1 ARG 83 12.944 20.757 -0.724 620 HH12 ARG 83 2HH1 ARG 83 11.884 22.093 -0.421 621 HH21 ARG 83 1HH2 ARG 83 10.673 20.819 2.601 622 HH22 ARG 83 2HH2 ARG 83 10.594 22.128 1.471 623 H VAL 84 H VAL 84 12.320 13.839 1.670 624 HA VAL 84 HA VAL 84 11.869 12.153 -0.693 625 HB VAL 84 HB VAL 84 11.355 10.221 0.717 626 HG11 VAL 84 1HG1 VAL 84 13.566 10.277 -0.149 627 HG12 VAL 84 2HG1 VAL 84 14.088 11.431 1.080 628 HG13 VAL 84 3HG1 VAL 84 13.692 9.774 1.536 629 HG21 VAL 84 3HG2 VAL 84 10.662 11.399 2.734 630 HG22 VAL 84 1HG2 VAL 84 11.928 10.227 3.100 631 HG23 VAL 84 2HG2 VAL 84 12.318 11.945 3.000 632 H SER 85 H SER 85 9.769 11.876 -1.251 633 HA SER 85 HA SER 85 7.613 12.335 0.588 634 HB2 SER 85 2HB SER 85 7.820 14.251 -1.737 635 HB3 SER 85 3HB SER 85 6.667 14.288 -0.403 636 HG SER 85 HG SER 85 8.130 15.717 0.250 637 H LYS 86 H LYS 86 5.457 12.266 -0.626 638 HA LYS 86 HA LYS 86 5.654 10.144 -2.633 639 HB2 LYS 86 2HB LYS 86 4.141 10.249 -0.407 640 HB3 LYS 86 3HB LYS 86 3.013 10.955 -1.557 641 HG2 LYS 86 2HG LYS 86 2.874 9.015 -2.811 642 HG3 LYS 86 3HG LYS 86 4.402 8.385 -2.190 643 HD2 LYS 86 2HD LYS 86 3.011 7.104 -0.940 644 HD3 LYS 86 3HD LYS 86 3.021 8.528 0.103 645 HE2 LYS 86 2HE LYS 86 0.980 9.330 -1.022 646 HE3 LYS 86 3HE LYS 86 0.962 7.864 -2.001 647 HZ1 LYS 86 3HZ LYS 86 1.127 7.351 0.822 648 HZ2 LYS 86 1HZ LYS 86 0.089 6.689 -0.338 649 HZ3 LYS 86 2HZ LYS 86 -0.283 8.174 0.381 650 H MET 87 H MET 87 5.275 10.531 -4.711 651 HA MET 87 HA MET 87 3.925 13.044 -5.436 652 HB2 MET 87 2HB MET 87 6.342 12.685 -6.140 653 HB3 MET 87 3HB MET 87 5.746 11.428 -7.215 654 HG2 MET 87 2HG MET 87 5.677 13.103 -8.701 655 HG3 MET 87 3HG MET 87 4.129 13.446 -7.931 656 HE1 MET 87 3HE MET 87 3.426 15.179 -7.093 657 HE2 MET 87 1HE MET 87 4.259 16.116 -5.853 658 HE3 MET 87 2HE MET 87 4.138 16.742 -7.497 659 H GLU 88 H GLU 88 2.537 10.603 -4.762 660 HA GLU 88 HA GLU 88 1.565 9.610 -7.331 661 HB2 GLU 88 2HB GLU 88 2.107 8.132 -5.285 662 HB3 GLU 88 3HB GLU 88 0.586 8.721 -4.630 663 HG2 GLU 88 2HG GLU 88 -0.319 7.942 -6.985 664 HG3 GLU 88 3HG GLU 88 1.092 6.889 -6.906 665 H THR 89 H THR 89 1.024 12.347 -6.211 666 HA THR 89 HA THR 89 -1.806 12.338 -5.623 667 HB THR 89 HB THR 89 -0.420 14.876 -6.318 668 HG1 THR 89 HG1 THR 89 0.363 13.131 -4.266 669 HG21 THR 89 3HG2 THR 89 -2.802 14.616 -5.446 670 HG22 THR 89 1HG2 THR 89 -1.775 15.782 -4.613 671 HG23 THR 89 2HG2 THR 89 -2.072 14.198 -3.896 672 H THR 90 H THR 90 -3.414 12.558 -7.040 673 HA THR 90 HA THR 90 -2.849 12.649 -9.851 674 HB THR 90 HB THR 90 -5.612 13.043 -9.479 675 HG1 THR 90 HG1 THR 90 -5.797 11.049 -8.012 676 HG21 THR 90 3HG2 THR 90 -4.045 10.500 -9.925 677 HG22 THR 90 1HG2 THR 90 -4.573 11.624 -11.176 678 HG23 THR 90 2HG2 THR 90 -5.765 10.717 -10.246 679 H ASN 91 H ASN 91 -3.168 14.289 -11.284 680 HA ASN 91 HA ASN 91 -3.988 16.888 -10.162 681 HB2 ASN 91 2HB ASN 91 -1.545 16.147 -11.449 682 HB3 ASN 91 3HB ASN 91 -2.396 17.289 -12.485 683 HD21 ASN 91 1HD2 ASN 91 -0.769 18.824 -12.087 684 HD22 ASN 91 2HD2 ASN 91 -0.709 19.702 -10.600 Start of MODEL 16 1 H GLY 1 H GLY 1 5.919 -1.267 5.634 2 HA2 GLY 1 2HA GLY 1 6.793 0.981 4.577 3 HA3 GLY 1 3HA GLY 1 7.110 -0.536 3.749 4 H GLU 2 H GLU 2 4.485 1.858 4.067 5 HA GLU 2 HA GLU 2 3.656 1.312 1.332 6 HB2 GLU 2 2HB GLU 2 2.275 2.008 3.618 7 HB3 GLU 2 3HB GLU 2 2.313 3.513 2.710 8 HG2 GLU 2 2HG GLU 2 0.748 2.797 1.320 9 HG3 GLU 2 3HG GLU 2 1.640 1.313 0.987 10 H LYS 3 H LYS 3 4.605 2.339 -0.287 11 HA LYS 3 HA LYS 3 5.698 3.916 -1.513 12 HB2 LYS 3 2HB LYS 3 4.016 5.721 0.232 13 HB3 LYS 3 3HB LYS 3 4.922 6.274 -1.170 14 HG2 LYS 3 2HG LYS 3 2.918 5.964 -2.166 15 HG3 LYS 3 3HG LYS 3 3.544 4.322 -2.337 16 HD2 LYS 3 2HD LYS 3 2.346 3.629 -0.344 17 HD3 LYS 3 3HD LYS 3 1.780 5.280 -0.083 18 HE2 LYS 3 2HE LYS 3 -0.027 4.692 -1.253 19 HE3 LYS 3 3HE LYS 3 1.012 4.748 -2.675 20 HZ1 LYS 3 3HZ LYS 3 1.254 2.268 -1.294 21 HZ2 LYS 3 1HZ LYS 3 0.863 2.561 -2.914 22 HZ3 LYS 3 2HZ LYS 3 -0.352 2.566 -1.737 23 H THR 4 H THR 4 7.732 3.303 -0.572 24 HA THR 4 HA THR 4 8.953 5.518 0.894 25 HB THR 4 HB THR 4 10.038 4.127 2.509 26 HG1 THR 4 HG1 THR 4 10.420 2.241 1.402 27 HG21 THR 4 3HG2 THR 4 8.225 3.503 3.866 28 HG22 THR 4 1HG2 THR 4 7.217 3.086 2.481 29 HG23 THR 4 2HG2 THR 4 7.578 4.777 2.833 30 H VAL 5 H VAL 5 11.177 5.757 0.552 31 HA VAL 5 HA VAL 5 12.168 4.350 -1.819 32 HB VAL 5 HB VAL 5 12.212 6.770 -1.967 33 HG11 VAL 5 1HG1 VAL 5 14.292 7.395 -0.106 34 HG12 VAL 5 2HG1 VAL 5 12.666 8.071 -0.226 35 HG13 VAL 5 3HG1 VAL 5 12.953 6.627 0.747 36 HG21 VAL 5 3HG2 VAL 5 14.628 7.096 -2.439 37 HG22 VAL 5 1HG2 VAL 5 14.951 5.547 -1.659 38 HG23 VAL 5 2HG2 VAL 5 13.975 5.609 -3.126 39 H LYS 6 H LYS 6 13.666 2.824 -1.658 40 HA LYS 6 HA LYS 6 15.038 2.450 0.897 41 HB2 LYS 6 2HB LYS 6 13.908 0.687 -1.000 42 HB3 LYS 6 3HB LYS 6 15.645 0.416 -1.042 43 HG2 LYS 6 2HG LYS 6 15.585 0.149 1.439 44 HG3 LYS 6 3HG LYS 6 13.824 0.217 1.344 45 HD2 LYS 6 2HD LYS 6 15.190 -1.700 -0.454 46 HD3 LYS 6 3HD LYS 6 15.200 -2.077 1.271 47 HE2 LYS 6 2HE LYS 6 13.026 -2.607 1.274 48 HE3 LYS 6 3HE LYS 6 12.594 -1.197 0.307 49 HZ1 LYS 6 3HZ LYS 6 12.844 -3.888 -0.505 50 HZ2 LYS 6 1HZ LYS 6 13.940 -2.939 -1.377 51 HZ3 LYS 6 2HZ LYS 6 12.292 -2.559 -1.394 52 H LEU 7 H LEU 7 16.855 3.620 1.028 53 HA LEU 7 HA LEU 7 18.495 4.162 -1.275 54 HB2 LEU 7 2HB LEU 7 19.397 4.650 1.528 55 HB3 LEU 7 3HB LEU 7 19.697 5.600 0.074 56 HG LEU 7 HG LEU 7 17.114 5.477 1.629 57 HD11 LEU 7 1HD1 LEU 7 19.322 6.837 2.323 58 HD12 LEU 7 2HD1 LEU 7 17.685 7.417 2.624 59 HD13 LEU 7 3HD1 LEU 7 18.582 8.001 1.223 60 HD21 LEU 7 3HD2 LEU 7 16.781 5.715 -0.811 61 HD22 LEU 7 1HD2 LEU 7 17.812 7.146 -0.784 62 HD23 LEU 7 2HD2 LEU 7 16.284 7.144 0.097 63 H TYR 8 H TYR 8 20.143 2.988 -1.996 64 HA TYR 8 HA TYR 8 21.154 0.816 -0.288 65 HB2 TYR 8 2HB TYR 8 20.851 1.111 -3.257 66 HB3 TYR 8 3HB TYR 8 22.045 -0.005 -2.605 67 HD1 TYR 8 HD2 TYR 8 18.444 0.742 -2.831 68 HD2 TYR 8 HD1 TYR 8 21.386 -2.073 -1.595 69 HE1 TYR 8 HE2 TYR 8 16.690 -0.960 -2.551 70 HE2 TYR 8 HE1 TYR 8 19.640 -3.782 -1.313 71 HH TYR 8 HH TYR 8 17.452 -4.298 -1.927 72 H GLU 9 H GLU 9 23.204 0.837 0.376 73 HA GLU 9 HA GLU 9 24.875 3.084 -0.180 74 HB2 GLU 9 2HB GLU 9 26.388 2.166 1.396 75 HB3 GLU 9 3HB GLU 9 24.778 1.793 1.996 76 HG2 GLU 9 2HG GLU 9 25.233 -0.434 0.596 77 HG3 GLU 9 3HG GLU 9 26.895 -0.003 0.996 78 H ASP 10 H ASP 10 24.684 -0.209 -1.336 79 HA ASP 10 HA ASP 10 27.089 0.219 -2.973 80 HB2 ASP 10 2HB ASP 10 26.511 -1.905 -1.390 81 HB3 ASP 10 3HB ASP 10 25.839 -2.460 -2.921 82 H THR 11 H THR 11 27.035 -0.584 -5.197 83 HA THR 11 HA THR 11 24.594 0.244 -6.508 84 HB THR 11 HB THR 11 25.806 0.182 -8.553 85 HG1 THR 11 HG1 THR 11 27.592 -1.022 -8.856 86 HG21 THR 11 3HG2 THR 11 26.435 2.047 -7.147 87 HG22 THR 11 1HG2 THR 11 27.855 1.477 -8.022 88 HG23 THR 11 2HG2 THR 11 27.642 1.061 -6.322 89 H HIS 12 H HIS 12 23.269 -1.011 -7.787 90 HA HIS 12 HA HIS 12 22.166 -2.870 -8.497 91 HB2 HIS 12 2HB HIS 12 24.694 -3.272 -9.309 92 HB3 HIS 12 3HB HIS 12 24.536 -4.638 -8.209 93 HD1 HIS 12 HD1 HIS 12 22.554 -3.145 -11.101 94 HD2 HIS 12 HD2 HIS 12 23.514 -6.822 -9.421 95 HE1 HIS 12 HE1 HIS 12 21.522 -4.867 -12.616 96 H PHE 13 H PHE 13 22.202 -2.247 -5.716 97 HA PHE 13 HA PHE 13 21.695 -3.115 -3.671 98 HB2 PHE 13 2HB PHE 13 20.699 -5.542 -5.153 99 HB3 PHE 13 3HB PHE 13 20.082 -4.850 -3.656 100 HD1 PHE 13 HD2 PHE 13 19.859 -2.010 -4.364 101 HD2 PHE 13 HD1 PHE 13 18.908 -5.494 -6.617 102 HE1 PHE 13 HE2 PHE 13 18.199 -0.724 -5.645 103 HE2 PHE 13 HE1 PHE 13 17.246 -4.212 -7.902 104 HZ PHE 13 HZ PHE 13 16.889 -1.825 -7.416 105 H LYS 14 H LYS 14 24.280 -3.400 -3.988 106 HA LYS 14 HA LYS 14 25.040 -6.191 -3.620 107 HB2 LYS 14 2HB LYS 14 26.403 -3.716 -4.392 108 HB3 LYS 14 3HB LYS 14 27.328 -4.700 -3.265 109 HG2 LYS 14 2HG LYS 14 26.153 -6.238 -5.445 110 HG3 LYS 14 3HG LYS 14 27.284 -4.994 -5.984 111 HD2 LYS 14 2HD LYS 14 28.811 -6.614 -5.591 112 HD3 LYS 14 3HD LYS 14 28.679 -6.031 -3.930 113 HE2 LYS 14 2HE LYS 14 27.491 -7.855 -3.241 114 HE3 LYS 14 3HE LYS 14 26.755 -8.109 -4.823 115 HZ1 LYS 14 3HZ LYS 14 29.281 -8.638 -5.400 116 HZ2 LYS 14 1HZ LYS 14 28.202 -9.821 -4.852 117 HZ3 LYS 14 2HZ LYS 14 29.283 -9.096 -3.772 118 H GLY 15 H GLY 15 24.449 -3.333 -1.776 119 HA2 GLY 15 2HA GLY 15 25.588 -4.638 0.616 120 HA3 GLY 15 3HA GLY 15 25.422 -2.899 0.424 121 H TYR 16 H TYR 16 24.121 -2.433 2.124 122 HA TYR 16 HA TYR 16 21.658 -3.968 2.482 123 HB2 TYR 16 2HB TYR 16 23.380 -3.107 4.342 124 HB3 TYR 16 3HB TYR 16 22.330 -1.696 4.281 125 HD1 TYR 16 HD1 TYR 16 22.098 -5.419 4.529 126 HD2 TYR 16 HD2 TYR 16 20.481 -1.652 5.666 127 HE1 TYR 16 HE1 TYR 16 20.493 -6.560 6.003 128 HE2 TYR 16 HE2 TYR 16 18.873 -2.782 7.144 129 HH TYR 16 HH TYR 16 18.673 -4.937 8.342 130 H SER 17 H SER 17 19.776 -2.450 3.310 131 HA SER 17 HA SER 17 19.583 -0.069 1.610 132 HB2 SER 17 2HB SER 17 17.039 -1.353 1.588 133 HB3 SER 17 3HB SER 17 18.100 -1.010 0.222 134 HG SER 17 HG SER 17 17.469 -3.361 1.172 135 H VAL 18 H VAL 18 18.327 1.567 2.425 136 HA VAL 18 HA VAL 18 17.092 1.086 5.058 137 HB VAL 18 HB VAL 18 19.171 2.372 5.301 138 HG11 VAL 18 1HG1 VAL 18 18.409 3.566 2.921 139 HG12 VAL 18 2HG1 VAL 18 18.212 4.841 4.125 140 HG13 VAL 18 3HG1 VAL 18 19.769 4.032 3.941 141 HG21 VAL 18 3HG2 VAL 18 17.254 2.764 6.812 142 HG22 VAL 18 1HG2 VAL 18 18.271 4.191 6.614 143 HG23 VAL 18 2HG2 VAL 18 16.729 4.082 5.765 144 H GLU 19 H GLU 19 15.029 1.686 5.262 145 HA GLU 19 HA GLU 19 13.655 2.812 2.997 146 HB2 GLU 19 2HB GLU 19 11.668 2.242 4.083 147 HB3 GLU 19 3HB GLU 19 12.793 0.998 4.611 148 HG2 GLU 19 2HG GLU 19 11.983 3.437 6.177 149 HG3 GLU 19 3HG GLU 19 11.433 1.786 6.456 150 H LEU 20 H LEU 20 12.941 4.848 2.727 151 HA LEU 20 HA LEU 20 13.097 6.708 4.993 152 HB2 LEU 20 2HB LEU 20 14.563 6.816 2.437 153 HB3 LEU 20 3HB LEU 20 13.822 8.327 2.960 154 HG LEU 20 HG LEU 20 16.155 8.203 3.644 155 HD11 LEU 20 1HD1 LEU 20 15.275 7.978 6.306 156 HD12 LEU 20 2HD1 LEU 20 13.925 8.631 5.380 157 HD13 LEU 20 3HD1 LEU 20 15.488 9.446 5.352 158 HD21 LEU 20 3HD2 LEU 20 15.737 5.543 3.992 159 HD22 LEU 20 1HD2 LEU 20 15.720 6.116 5.660 160 HD23 LEU 20 2HD2 LEU 20 17.119 6.433 4.634 161 HA PRO 21 HA PRO 21 8.999 7.088 2.968 162 HB2 PRO 21 2HB PRO 21 7.683 7.644 5.277 163 HB3 PRO 21 3HB PRO 21 8.038 5.995 4.746 164 HG2 PRO 21 2HG PRO 21 9.484 7.695 6.741 165 HG3 PRO 21 3HG PRO 21 9.057 5.977 6.836 166 HD2 PRO 21 2HD PRO 21 11.541 6.826 6.173 167 HD3 PRO 21 3HD PRO 21 10.837 5.333 5.521 168 H VAL 22 H VAL 22 7.488 8.922 2.937 169 HA VAL 22 HA VAL 22 8.391 11.298 2.259 170 HB VAL 22 HB VAL 22 6.007 10.871 2.344 171 HG11 VAL 22 1HG1 VAL 22 4.726 10.809 4.328 172 HG12 VAL 22 2HG1 VAL 22 6.115 9.760 4.618 173 HG13 VAL 22 3HG1 VAL 22 6.075 11.383 5.307 174 HG21 VAL 22 3HG2 VAL 22 5.299 13.051 2.725 175 HG22 VAL 22 1HG2 VAL 22 6.397 13.275 4.086 176 HG23 VAL 22 2HG2 VAL 22 7.028 13.246 2.439 177 H GLY 23 H GLY 23 9.506 12.978 3.047 178 HA2 GLY 23 2HA GLY 23 9.500 14.319 5.325 179 HA3 GLY 23 3HA GLY 23 10.339 12.865 5.846 180 H ASP 24 H ASP 24 11.717 15.075 6.192 181 HA ASP 24 HA ASP 24 13.658 15.082 3.975 182 HB2 ASP 24 2HB ASP 24 13.465 17.483 5.718 183 HB3 ASP 24 3HB ASP 24 13.862 17.363 4.006 184 H TYR 25 H TYR 25 15.651 14.489 4.519 185 HA TYR 25 HA TYR 25 16.485 14.739 7.329 186 HB2 TYR 25 2HB TYR 25 17.757 12.532 6.892 187 HB3 TYR 25 3HB TYR 25 16.028 12.448 7.209 188 HD1 TYR 25 HD1 TYR 25 14.481 12.409 5.118 189 HD2 TYR 25 HD2 TYR 25 18.632 11.482 5.014 190 HE1 TYR 25 HE1 TYR 25 14.149 11.187 3.009 191 HE2 TYR 25 HE2 TYR 25 18.312 10.259 2.904 192 HH TYR 25 HH TYR 25 16.083 10.577 0.913 193 H ASN 26 H ASN 26 18.615 15.260 7.681 194 HA ASN 26 HA ASN 26 20.127 16.052 5.289 195 HB2 ASN 26 2HB ASN 26 20.627 16.978 8.119 196 HB3 ASN 26 3HB ASN 26 21.225 17.696 6.626 197 HD21 ASN 26 1HD2 ASN 26 18.913 17.874 9.000 198 HD22 ASN 26 2HD2 ASN 26 17.779 18.902 8.199 199 H LEU 27 H LEU 27 22.642 16.299 6.310 200 HA LEU 27 HA LEU 27 23.719 13.764 6.072 201 HB2 LEU 27 2HB LEU 27 25.155 15.585 5.730 202 HB3 LEU 27 3HB LEU 27 24.769 16.292 7.298 203 HG LEU 27 HG LEU 27 26.128 13.653 7.285 204 HD11 LEU 27 1HD1 LEU 27 27.359 14.851 5.566 205 HD12 LEU 27 2HD1 LEU 27 28.321 14.710 7.037 206 HD13 LEU 27 3HD1 LEU 27 27.537 16.239 6.639 207 HD21 LEU 27 3HD2 LEU 27 25.779 14.379 9.431 208 HD22 LEU 27 1HD2 LEU 27 25.955 16.081 9.002 209 HD23 LEU 27 2HD2 LEU 27 27.381 15.050 9.124 210 H SER 28 H SER 28 23.279 15.630 9.079 211 HA SER 28 HA SER 28 24.143 13.633 10.835 212 HB2 SER 28 2HB SER 28 23.212 16.237 11.079 213 HB3 SER 28 3HB SER 28 22.006 15.283 11.942 214 HG SER 28 HG SER 28 24.724 15.646 12.488 215 H SER 29 H SER 29 20.926 14.347 9.553 216 HA SER 29 HA SER 29 19.500 12.483 11.104 217 HB2 SER 29 2HB SER 29 18.462 14.328 9.783 218 HB3 SER 29 3HB SER 29 18.829 13.433 8.309 219 HG SER 29 HG SER 29 16.939 12.906 10.298 220 H LEU 30 H LEU 30 21.422 12.150 8.222 221 HA LEU 30 HA LEU 30 20.433 9.593 7.445 222 HB2 LEU 30 2HB LEU 30 22.983 11.058 6.800 223 HB3 LEU 30 3HB LEU 30 22.545 9.505 6.091 224 HG LEU 30 HG LEU 30 20.610 11.742 5.813 225 HD11 LEU 30 1HD1 LEU 30 23.355 11.915 4.937 226 HD12 LEU 30 2HD1 LEU 30 22.071 13.121 4.868 227 HD13 LEU 30 3HD1 LEU 30 22.239 11.937 3.571 228 HD21 LEU 30 3HD2 LEU 30 20.039 9.568 4.940 229 HD22 LEU 30 1HD2 LEU 30 21.551 9.495 4.036 230 HD23 LEU 30 2HD2 LEU 30 20.319 10.679 3.599 231 H ILE 31 H ILE 31 22.946 10.710 9.605 232 HA ILE 31 HA ILE 31 24.381 8.316 9.896 233 HB ILE 31 HB ILE 31 23.954 10.339 12.089 234 HG12 ILE 31 2HG1 ILE 31 24.563 11.613 10.152 235 HG13 ILE 31 3HG1 ILE 31 26.007 11.449 11.145 236 HG21 ILE 31 1HG2 ILE 31 25.191 8.707 13.078 237 HG22 ILE 31 2HG2 ILE 31 25.879 8.151 11.554 238 HG23 ILE 31 3HG2 ILE 31 26.500 9.613 12.320 239 HD11 ILE 31 3HD1 ILE 31 25.350 9.865 8.674 240 HD12 ILE 31 1HD1 ILE 31 26.547 11.152 8.814 241 HD13 ILE 31 2HD1 ILE 31 26.777 9.635 9.684 242 H SER 32 H SER 32 21.499 9.531 11.531 243 HA SER 32 HA SER 32 21.348 7.518 13.505 244 HB2 SER 32 2HB SER 32 19.122 9.171 12.286 245 HB3 SER 32 3HB SER 32 19.008 8.244 13.782 246 HG SER 32 HG SER 32 19.875 10.719 13.472 247 H ARG 33 H ARG 33 19.785 7.835 10.329 248 HA ARG 33 HA ARG 33 18.326 5.434 10.441 249 HB2 ARG 33 2HB ARG 33 19.094 7.379 8.361 250 HB3 ARG 33 3HB ARG 33 18.766 5.754 7.775 251 HG2 ARG 33 2HG ARG 33 16.605 6.215 7.814 252 HG3 ARG 33 3HG ARG 33 16.695 6.387 9.568 253 HD2 ARG 33 2HD ARG 33 17.535 8.773 9.062 254 HD3 ARG 33 3HD ARG 33 16.874 8.500 7.451 255 HE ARG 33 HE ARG 33 14.779 8.774 8.314 256 HH11 ARG 33 1HH1 ARG 33 16.988 8.105 10.920 257 HH12 ARG 33 2HH1 ARG 33 15.813 8.386 12.162 258 HH21 ARG 33 1HH2 ARG 33 13.223 9.147 9.940 259 HH22 ARG 33 2HH2 ARG 33 13.672 8.977 11.603 260 H GLY 34 H GLY 34 21.667 6.039 9.972 261 HA2 GLY 34 2HA GLY 34 23.207 4.195 10.228 262 HA3 GLY 34 3HA GLY 34 22.063 3.183 9.357 263 H ALA 35 H ALA 35 21.899 5.893 7.660 264 HA ALA 35 HA ALA 35 23.770 4.920 5.661 265 HB1 ALA 35 1HB ALA 35 21.705 5.447 4.719 266 HB2 ALA 35 2HB ALA 35 21.560 6.945 5.639 267 HB3 ALA 35 3HB ALA 35 22.715 6.834 4.311 268 H LEU 36 H LEU 36 25.774 5.660 5.509 269 HA LEU 36 HA LEU 36 26.618 7.988 6.975 270 HB2 LEU 36 2HB LEU 36 27.906 5.786 6.545 271 HB3 LEU 36 3HB LEU 36 28.311 6.514 4.991 272 HG LEU 36 HG LEU 36 30.092 6.768 6.679 273 HD11 LEU 36 1HD1 LEU 36 30.664 8.895 6.025 274 HD12 LEU 36 2HD1 LEU 36 29.018 9.506 6.184 275 HD13 LEU 36 3HD1 LEU 36 29.450 8.481 4.815 276 HD21 LEU 36 3HD2 LEU 36 28.201 8.619 8.114 277 HD22 LEU 36 1HD2 LEU 36 29.820 8.124 8.608 278 HD23 LEU 36 2HD2 LEU 36 28.500 6.955 8.617 279 H ASN 37 H ASN 37 26.795 10.001 6.238 280 HA ASN 37 HA ASN 37 25.783 10.876 3.826 281 HB2 ASN 37 2HB ASN 37 26.831 13.010 4.290 282 HB3 ASN 37 3HB ASN 37 26.243 12.320 5.800 283 HD21 ASN 37 1HD2 ASN 37 27.632 11.987 7.422 284 HD22 ASN 37 2HD2 ASN 37 29.337 12.250 7.329 285 H ASP 38 H ASP 38 26.516 11.060 1.794 286 HA ASP 38 HA ASP 38 27.854 10.875 -0.037 287 HB2 ASP 38 2HB ASP 38 30.317 11.131 1.646 288 HB3 ASP 38 3HB ASP 38 29.980 11.799 0.051 289 H ASP 39 H ASP 39 27.157 8.621 -0.035 290 HA ASP 39 HA ASP 39 29.355 6.850 -0.324 291 HB2 ASP 39 2HB ASP 39 29.412 6.532 1.996 292 HB3 ASP 39 3HB ASP 39 27.659 6.614 2.145 293 H LEU 40 H LEU 40 25.882 7.268 0.049 294 HA LEU 40 HA LEU 40 24.885 4.925 -0.952 295 HB2 LEU 40 2HB LEU 40 23.997 7.752 -1.053 296 HB3 LEU 40 3HB LEU 40 23.171 6.605 -2.106 297 HG LEU 40 HG LEU 40 22.418 5.323 -0.231 298 HD11 LEU 40 1HD1 LEU 40 24.109 5.254 1.327 299 HD12 LEU 40 2HD1 LEU 40 22.961 6.341 2.106 300 HD13 LEU 40 3HD1 LEU 40 24.373 6.997 1.279 301 HD21 LEU 40 3HD2 LEU 40 21.028 6.955 0.921 302 HD22 LEU 40 1HD2 LEU 40 21.112 7.314 -0.804 303 HD23 LEU 40 2HD2 LEU 40 22.060 8.264 0.342 304 H SER 41 H SER 41 24.909 3.881 -2.841 305 HA SER 41 HA SER 41 25.913 5.325 -5.206 306 HB2 SER 41 2HB SER 41 26.261 2.362 -4.861 307 HB3 SER 41 3HB SER 41 27.192 3.480 -5.856 308 HG SER 41 HG SER 41 28.398 3.977 -4.187 309 H SER 42 H SER 42 23.342 3.644 -3.847 310 HA SER 42 HA SER 42 21.999 3.523 -6.437 311 HB2 SER 42 2HB SER 42 22.701 1.269 -6.303 312 HB3 SER 42 3HB SER 42 22.367 1.181 -4.574 313 HG SER 42 HG SER 42 20.584 1.112 -6.743 314 H ALA 43 H ALA 43 19.691 3.491 -6.287 315 HA ALA 43 HA ALA 43 18.532 3.948 -3.646 316 HB1 ALA 43 1HB ALA 43 17.934 5.906 -5.837 317 HB2 ALA 43 2HB ALA 43 17.638 6.053 -4.104 318 HB3 ALA 43 3HB ALA 43 19.284 6.151 -4.729 319 H ARG 44 H ARG 44 16.438 3.291 -3.469 320 HA ARG 44 HA ARG 44 15.212 2.172 -5.902 321 HB2 ARG 44 2HB ARG 44 15.896 0.611 -3.988 322 HB3 ARG 44 3HB ARG 44 14.569 1.327 -3.083 323 HG2 ARG 44 2HG ARG 44 13.664 0.514 -5.682 324 HG3 ARG 44 3HG ARG 44 14.464 -0.828 -4.860 325 HD2 ARG 44 2HD ARG 44 13.038 -0.284 -2.850 326 HD3 ARG 44 3HD ARG 44 12.131 0.811 -3.893 327 HE ARG 44 HE ARG 44 12.212 -1.670 -5.152 328 HH11 ARG 44 1HH1 ARG 44 10.910 -0.254 -2.250 329 HH12 ARG 44 2HH1 ARG 44 9.569 -1.348 -2.162 330 HH21 ARG 44 1HH2 ARG 44 10.451 -3.115 -5.047 331 HH22 ARG 44 2HH2 ARG 44 9.309 -2.975 -3.754 332 H VAL 45 H VAL 45 13.842 3.706 -6.617 333 HA VAL 45 HA VAL 45 11.681 4.511 -4.808 334 HB VAL 45 HB VAL 45 13.110 6.421 -4.734 335 HG11 VAL 45 1HG1 VAL 45 13.795 5.636 -7.377 336 HG12 VAL 45 2HG1 VAL 45 13.225 7.306 -7.425 337 HG13 VAL 45 3HG1 VAL 45 14.556 6.858 -6.359 338 HG21 VAL 45 3HG2 VAL 45 11.529 7.979 -5.167 339 HG22 VAL 45 1HG2 VAL 45 11.273 7.416 -6.818 340 HG23 VAL 45 2HG2 VAL 45 10.529 6.558 -5.469 341 HA PRO 46 HA PRO 46 10.008 2.961 -8.802 342 HB2 PRO 46 2HB PRO 46 7.858 1.751 -7.670 343 HB3 PRO 46 3HB PRO 46 9.441 0.975 -7.795 344 HG2 PRO 46 2HG PRO 46 8.193 2.366 -5.456 345 HG3 PRO 46 3HG PRO 46 9.108 0.848 -5.497 346 HD2 PRO 46 2HD PRO 46 10.212 3.193 -4.715 347 HD3 PRO 46 3HD PRO 46 11.143 1.929 -5.543 348 H SER 47 H SER 47 7.679 3.179 -9.620 349 HA SER 47 HA SER 47 6.924 5.831 -9.680 350 HB2 SER 47 2HB SER 47 5.443 3.289 -10.295 351 HB3 SER 47 3HB SER 47 4.626 4.847 -10.413 352 HG SER 47 HG SER 47 5.496 4.408 -12.404 353 H GLY 48 H GLY 48 5.341 7.067 -8.676 354 HA2 GLY 48 2HA GLY 48 3.658 7.543 -7.115 355 HA3 GLY 48 3HA GLY 48 3.814 5.911 -6.483 356 H LEU 49 H LEU 49 6.432 8.229 -6.951 357 HA LEU 49 HA LEU 49 6.534 9.156 -4.285 358 HB2 LEU 49 2HB LEU 49 7.227 6.635 -4.217 359 HB3 LEU 49 3HB LEU 49 8.760 7.243 -4.839 360 HG LEU 49 HG LEU 49 7.573 8.405 -2.347 361 HD11 LEU 49 1HD1 LEU 49 9.527 6.459 -1.683 362 HD12 LEU 49 2HD1 LEU 49 8.283 5.678 -2.659 363 HD13 LEU 49 3HD1 LEU 49 7.836 6.538 -1.186 364 HD21 LEU 49 3HD2 LEU 49 9.395 9.666 -2.822 365 HD22 LEU 49 1HD2 LEU 49 10.177 8.386 -3.750 366 HD23 LEU 49 2HD2 LEU 49 10.222 8.350 -1.987 367 H ARG 50 H ARG 50 7.787 10.927 -4.197 368 HA ARG 50 HA ARG 50 9.787 11.308 -6.326 369 HB2 ARG 50 2HB ARG 50 7.831 12.661 -6.836 370 HB3 ARG 50 3HB ARG 50 7.856 13.353 -5.219 371 HG2 ARG 50 2HG ARG 50 10.397 13.835 -6.290 372 HG3 ARG 50 3HG ARG 50 9.247 14.190 -7.581 373 HD2 ARG 50 2HD ARG 50 8.041 15.341 -5.422 374 HD3 ARG 50 3HD ARG 50 9.747 15.592 -5.056 375 HE ARG 50 HE ARG 50 8.214 16.875 -7.110 376 HH11 ARG 50 1HH1 ARG 50 11.407 15.866 -6.158 377 HH12 ARG 50 2HH1 ARG 50 12.213 17.049 -7.134 378 HH21 ARG 50 1HH2 ARG 50 9.264 18.436 -8.399 379 HH22 ARG 50 2HH2 ARG 50 10.993 18.511 -8.408 380 H LEU 51 H LEU 51 11.765 11.760 -5.616 381 HA LEU 51 HA LEU 51 12.064 12.826 -2.885 382 HB2 LEU 51 2HB LEU 51 14.247 11.574 -2.850 383 HB3 LEU 51 3HB LEU 51 12.787 10.590 -2.780 384 HG LEU 51 HG LEU 51 13.195 10.455 -5.396 385 HD11 LEU 51 1HD1 LEU 51 15.825 10.105 -5.468 386 HD12 LEU 51 2HD1 LEU 51 15.768 11.382 -4.253 387 HD13 LEU 51 3HD1 LEU 51 15.070 11.653 -5.850 388 HD21 LEU 51 3HD2 LEU 51 13.080 8.588 -3.771 389 HD22 LEU 51 1HD2 LEU 51 14.794 8.824 -3.428 390 HD23 LEU 51 2HD2 LEU 51 14.277 8.335 -5.042 391 H GLU 52 H GLU 52 13.905 14.173 -2.505 392 HA GLU 52 HA GLU 52 15.032 15.364 -4.952 393 HB2 GLU 52 2HB GLU 52 14.185 16.787 -2.423 394 HB3 GLU 52 3HB GLU 52 15.032 17.544 -3.765 395 HG2 GLU 52 2HG GLU 52 13.196 17.531 -5.119 396 HG3 GLU 52 3HG GLU 52 12.487 16.124 -4.331 397 H VAL 53 H VAL 53 17.144 15.036 -5.059 398 HA VAL 53 HA VAL 53 18.664 14.445 -2.651 399 HB VAL 53 HB VAL 53 19.659 14.520 -5.500 400 HG11 VAL 53 1HG1 VAL 53 21.606 14.375 -4.375 401 HG12 VAL 53 2HG1 VAL 53 20.830 13.807 -2.895 402 HG13 VAL 53 3HG1 VAL 53 21.155 12.678 -4.210 403 HG21 VAL 53 3HG2 VAL 53 19.440 11.937 -5.139 404 HG22 VAL 53 1HG2 VAL 53 18.206 12.410 -3.971 405 HG23 VAL 53 2HG2 VAL 53 18.047 12.883 -5.662 406 H PHE 54 H PHE 54 20.056 15.789 -1.681 407 HA PHE 54 HA PHE 54 20.742 18.303 -3.053 408 HB2 PHE 54 2HB PHE 54 20.313 18.081 -0.075 409 HB3 PHE 54 3HB PHE 54 20.453 19.544 -1.045 410 HD1 PHE 54 HD1 PHE 54 18.623 19.664 -3.004 411 HD2 PHE 54 HD2 PHE 54 18.220 17.513 0.647 412 HE1 PHE 54 HE1 PHE 54 16.174 19.751 -3.226 413 HE2 PHE 54 HE2 PHE 54 15.770 17.596 0.430 414 HZ PHE 54 HZ PHE 54 14.744 18.716 -1.509 415 H GLN 55 H GLN 55 22.798 17.798 -3.650 416 HA GLN 55 HA GLN 55 24.661 16.288 -2.283 417 HB2 GLN 55 2HB GLN 55 26.381 17.606 -3.559 418 HB3 GLN 55 3HB GLN 55 25.098 16.913 -4.543 419 HG2 GLN 55 2HG GLN 55 23.956 19.138 -4.461 420 HG3 GLN 55 3HG GLN 55 25.406 19.778 -3.690 421 HE21 GLN 55 1HE2 GLN 55 26.973 20.508 -4.951 422 HE22 GLN 55 2HE2 GLN 55 27.108 20.234 -6.651 423 H HIS 56 H HIS 56 24.138 19.798 -2.099 424 HA HIS 56 HA HIS 56 26.023 19.975 0.124 425 HB2 HIS 56 2HB HIS 56 25.281 21.722 -1.961 426 HB3 HIS 56 3HB HIS 56 24.701 22.463 -0.472 427 HD1 HIS 56 HD1 HIS 56 27.351 22.988 -2.489 428 HD2 HIS 56 HD2 HIS 56 27.186 21.857 1.506 429 HE1 HIS 56 HE1 HIS 56 29.571 23.648 -1.511 430 H ASN 57 H ASN 57 25.457 20.816 2.160 431 HA ASN 57 HA ASN 57 22.741 20.176 2.957 432 HB2 ASN 57 2HB ASN 57 25.082 19.720 4.190 433 HB3 ASN 57 3HB ASN 57 24.680 21.269 4.926 434 HD21 ASN 57 1HD2 ASN 57 24.863 19.151 6.536 435 HD22 ASN 57 2HD2 ASN 57 23.302 18.642 7.075 436 H ASN 58 H ASN 58 21.674 21.667 4.583 437 HA ASN 58 HA ASN 58 20.663 23.650 5.048 438 HB2 ASN 58 2HB ASN 58 23.365 24.143 5.239 439 HB3 ASN 58 3HB ASN 58 22.831 25.394 4.121 440 HD21 ASN 58 1HD2 ASN 58 23.236 24.606 7.305 441 HD22 ASN 58 2HD2 ASN 58 22.210 25.799 8.020 442 H PHE 59 H PHE 59 20.855 22.500 2.219 443 HA PHE 59 HA PHE 59 20.160 23.014 0.110 444 HB2 PHE 59 2HB PHE 59 18.520 24.776 1.885 445 HB3 PHE 59 3HB PHE 59 18.392 24.971 0.140 446 HD1 PHE 59 HD2 PHE 59 18.344 22.271 2.713 447 HD2 PHE 59 HD1 PHE 59 16.802 23.745 -0.970 448 HE1 PHE 59 HE2 PHE 59 16.763 20.388 2.625 449 HE2 PHE 59 HE1 PHE 59 15.218 21.865 -1.064 450 HZ PHE 59 HZ PHE 59 15.198 20.182 0.735 451 H LYS 60 H LYS 60 22.597 23.925 0.320 452 HA LYS 60 HA LYS 60 22.519 26.670 -0.753 453 HB2 LYS 60 2HB LYS 60 23.698 26.728 1.325 454 HB3 LYS 60 3HB LYS 60 24.632 25.298 0.908 455 HG2 LYS 60 2HG LYS 60 24.893 27.603 -0.914 456 HG3 LYS 60 3HG LYS 60 25.576 27.793 0.702 457 HD2 LYS 60 2HD LYS 60 26.345 25.238 -0.158 458 HD3 LYS 60 3HD LYS 60 26.583 26.303 -1.545 459 HE2 LYS 60 2HE LYS 60 28.541 26.808 -0.586 460 HE3 LYS 60 3HE LYS 60 27.583 27.802 0.511 461 HZ1 LYS 60 3HZ LYS 60 27.393 25.463 1.727 462 HZ2 LYS 60 1HZ LYS 60 28.649 26.553 2.037 463 HZ3 LYS 60 2HZ LYS 60 28.900 25.250 0.988 464 H GLY 61 H GLY 61 22.698 26.556 -2.899 465 HA2 GLY 61 2HA GLY 61 24.339 26.330 -4.700 466 HA3 GLY 61 3HA GLY 61 24.785 24.780 -4.002 467 H VAL 62 H VAL 62 24.420 23.755 -6.010 468 HA VAL 62 HA VAL 62 21.832 23.851 -7.255 469 HB VAL 62 HB VAL 62 23.775 23.483 -8.648 470 HG11 VAL 62 1HG1 VAL 62 25.475 22.275 -7.888 471 HG12 VAL 62 2HG1 VAL 62 24.486 21.631 -6.576 472 HG13 VAL 62 3HG1 VAL 62 24.508 20.823 -8.143 473 HG21 VAL 62 3HG2 VAL 62 22.751 22.041 -10.060 474 HG22 VAL 62 1HG2 VAL 62 22.552 20.801 -8.821 475 HG23 VAL 62 2HG2 VAL 62 21.442 22.171 -8.885 476 H ARG 63 H ARG 63 20.250 22.277 -7.281 477 HA ARG 63 HA ARG 63 20.566 20.072 -5.355 478 HB2 ARG 63 2HB ARG 63 18.130 20.365 -4.822 479 HB3 ARG 63 3HB ARG 63 19.165 21.678 -4.275 480 HG2 ARG 63 2HG ARG 63 18.492 22.999 -6.236 481 HG3 ARG 63 3HG ARG 63 17.411 21.691 -6.722 482 HD2 ARG 63 2HD ARG 63 16.711 22.126 -4.101 483 HD3 ARG 63 3HD ARG 63 17.071 23.751 -4.683 484 HE ARG 63 HE ARG 63 15.482 22.738 -6.623 485 HH11 ARG 63 1HH1 ARG 63 15.179 22.976 -3.163 486 HH12 ARG 63 2HH1 ARG 63 13.450 23.093 -3.192 487 HH21 ARG 63 1HH2 ARG 63 13.207 22.892 -6.674 488 HH22 ARG 63 2HH2 ARG 63 12.330 23.044 -5.189 489 H ASP 64 H ASP 64 19.850 18.104 -5.993 490 HA ASP 64 HA ASP 64 18.778 17.919 -8.723 491 HB2 ASP 64 2HB ASP 64 20.897 16.579 -7.450 492 HB3 ASP 64 3HB ASP 64 19.613 15.386 -7.621 493 H PHE 65 H PHE 65 17.287 16.064 -9.127 494 HA PHE 65 HA PHE 65 15.689 15.251 -6.830 495 HB2 PHE 65 2HB PHE 65 13.579 15.937 -7.997 496 HB3 PHE 65 3HB PHE 65 14.574 17.286 -7.458 497 HD1 PHE 65 HD2 PHE 65 13.327 15.434 -10.352 498 HD2 PHE 65 HD1 PHE 65 15.685 18.725 -9.040 499 HE1 PHE 65 HE2 PHE 65 13.317 16.347 -12.636 500 HE2 PHE 65 HE1 PHE 65 15.678 19.645 -11.323 501 HZ PHE 65 HZ PHE 65 14.494 18.455 -13.125 502 H TYR 66 H TYR 66 14.863 13.248 -7.047 503 HA TYR 66 HA TYR 66 14.901 12.020 -9.722 504 HB2 TYR 66 2HB TYR 66 16.411 11.263 -7.362 505 HB3 TYR 66 3HB TYR 66 15.388 9.944 -7.919 506 HD1 TYR 66 HD2 TYR 66 15.425 10.008 -10.745 507 HD2 TYR 66 HD1 TYR 66 18.584 10.983 -8.067 508 HE1 TYR 66 HE2 TYR 66 17.067 9.468 -12.495 509 HE2 TYR 66 HE1 TYR 66 20.235 10.447 -9.810 510 HH TYR 66 HH TYR 66 19.269 9.739 -13.100 511 H THR 67 H THR 67 13.420 10.276 -10.033 512 HA THR 67 HA THR 67 11.401 9.816 -7.993 513 HB THR 67 HB THR 67 9.517 10.386 -9.429 514 HG1 THR 67 HG1 THR 67 11.227 11.686 -11.249 515 HG21 THR 67 3HG2 THR 67 10.665 12.111 -7.934 516 HG22 THR 67 1HG2 THR 67 9.597 12.728 -9.193 517 HG23 THR 67 2HG2 THR 67 11.345 12.775 -9.420 518 H SER 68 H SER 68 13.425 8.217 -9.354 519 HA SER 68 HA SER 68 11.764 5.980 -10.046 520 HB2 SER 68 2HB SER 68 12.107 5.814 -12.297 521 HB3 SER 68 3HB SER 68 12.252 7.566 -12.168 522 HG SER 68 HG SER 68 13.995 6.561 -13.324 523 H ASP 69 H ASP 69 13.006 4.004 -10.346 524 HA ASP 69 HA ASP 69 14.968 3.601 -8.462 525 HB2 ASP 69 2HB ASP 69 14.676 2.050 -11.043 526 HB3 ASP 69 3HB ASP 69 15.431 1.479 -9.558 527 H ALA 70 H ALA 70 16.769 4.802 -8.349 528 HA ALA 70 HA ALA 70 18.349 5.221 -10.789 529 HB1 ALA 70 1HB ALA 70 19.030 6.574 -8.229 530 HB2 ALA 70 2HB ALA 70 19.164 7.157 -9.889 531 HB3 ALA 70 3HB ALA 70 17.588 7.097 -9.099 532 H ALA 71 H ALA 71 19.560 3.401 -11.025 533 HA ALA 71 HA ALA 71 20.719 1.905 -8.953 534 HB1 ALA 71 1HB ALA 71 20.360 1.198 -11.355 535 HB2 ALA 71 2HB ALA 71 21.827 2.097 -11.741 536 HB3 ALA 71 3HB ALA 71 21.898 0.731 -10.628 537 H GLU 72 H GLU 72 21.602 4.921 -10.293 538 HA GLU 72 HA GLU 72 24.183 4.797 -8.879 539 HB2 GLU 72 2HB GLU 72 24.013 5.000 -11.557 540 HB3 GLU 72 3HB GLU 72 23.905 6.703 -11.133 541 HG2 GLU 72 2HG GLU 72 26.011 5.635 -9.610 542 HG3 GLU 72 3HG GLU 72 26.201 5.009 -11.247 543 H LEU 73 H LEU 73 24.203 6.105 -7.186 544 HA LEU 73 HA LEU 73 22.241 7.902 -6.468 545 HB2 LEU 73 2HB LEU 73 24.059 6.973 -5.017 546 HB3 LEU 73 3HB LEU 73 25.151 8.156 -5.734 547 HG LEU 73 HG LEU 73 24.177 8.696 -3.446 548 HD11 LEU 73 1HD1 LEU 73 24.796 10.769 -3.936 549 HD12 LEU 73 2HD1 LEU 73 23.382 11.006 -4.962 550 HD13 LEU 73 3HD1 LEU 73 24.851 10.297 -5.634 551 HD21 LEU 73 3HD2 LEU 73 21.783 9.783 -4.783 552 HD22 LEU 73 1HD2 LEU 73 21.982 9.132 -3.156 553 HD23 LEU 73 2HD2 LEU 73 21.806 8.037 -4.527 554 H SER 74 H SER 74 21.898 10.077 -6.701 555 HA SER 74 HA SER 74 22.542 11.344 -9.049 556 HB2 SER 74 2HB SER 74 20.803 12.015 -7.292 557 HB3 SER 74 3HB SER 74 22.115 12.872 -6.482 558 HG SER 74 HG SER 74 22.430 13.986 -8.523 559 H ARG 75 H ARG 75 24.480 11.806 -9.838 560 HA ARG 75 HA ARG 75 26.611 12.577 -10.035 561 HB2 ARG 75 2HB ARG 75 25.981 14.125 -7.516 562 HB3 ARG 75 3HB ARG 75 27.287 14.460 -8.645 563 HG2 ARG 75 2HG ARG 75 24.595 14.396 -9.823 564 HG3 ARG 75 3HG ARG 75 24.896 15.702 -8.674 565 HD2 ARG 75 2HD ARG 75 25.535 16.621 -10.712 566 HD3 ARG 75 3HD ARG 75 27.061 16.089 -10.007 567 HE ARG 75 HE ARG 75 26.098 14.000 -11.568 568 HH11 ARG 75 1HH1 ARG 75 27.202 17.275 -11.994 569 HH12 ARG 75 2HH1 ARG 75 27.793 17.005 -13.600 570 HH21 ARG 75 1HH2 ARG 75 26.872 13.633 -13.682 571 HH22 ARG 75 2HH2 ARG 75 27.604 14.933 -14.560 572 H ASP 76 H ASP 76 28.722 12.947 -8.569 573 HA ASP 76 HA ASP 76 29.525 10.455 -7.677 574 HB2 ASP 76 2HB ASP 76 30.577 13.226 -7.325 575 HB3 ASP 76 3HB ASP 76 31.276 11.939 -6.345 576 H ASN 77 H ASN 77 30.101 9.713 -5.530 577 HA ASN 77 HA ASN 77 28.003 9.740 -3.727 578 HB2 ASN 77 2HB ASN 77 29.690 8.843 -2.074 579 HB3 ASN 77 3HB ASN 77 29.614 7.979 -3.607 580 HD21 ASN 77 1HD2 ASN 77 31.297 8.228 -5.102 581 HD22 ASN 77 2HD2 ASN 77 32.851 8.809 -4.621 582 H ASP 78 H ASP 78 27.229 11.663 -3.025 583 HA ASP 78 HA ASP 78 28.419 12.957 -0.862 584 HB2 ASP 78 2HB ASP 78 29.269 13.947 -3.479 585 HB3 ASP 78 3HB ASP 78 28.569 15.204 -2.463 586 H ALA 79 H ALA 79 26.204 12.524 -0.300 587 HA ALA 79 HA ALA 79 24.339 14.550 -1.354 588 HB1 ALA 79 1HB ALA 79 23.818 11.720 -0.488 589 HB2 ALA 79 2HB ALA 79 22.532 12.919 -0.638 590 HB3 ALA 79 3HB ALA 79 23.487 12.469 -2.051 591 H SER 80 H SER 80 24.842 16.089 0.213 592 HA SER 80 HA SER 80 25.125 15.707 2.937 593 HB2 SER 80 2HB SER 80 24.256 18.020 1.252 594 HB3 SER 80 3HB SER 80 24.090 18.139 3.004 595 HG SER 80 HG SER 80 26.145 18.872 2.045 596 H SER 81 H SER 81 22.155 16.931 1.381 597 HA SER 81 HA SER 81 20.603 15.494 3.432 598 HB2 SER 81 2HB SER 81 20.291 17.675 4.150 599 HB3 SER 81 3HB SER 81 20.404 18.339 2.520 600 HG SER 81 HG SER 81 18.221 17.788 3.865 601 H VAL 82 H VAL 82 18.458 14.865 2.803 602 HA VAL 82 HA VAL 82 17.895 14.917 -0.071 603 HB VAL 82 HB VAL 82 17.478 12.328 1.352 604 HG11 VAL 82 1HG1 VAL 82 17.476 13.357 -1.372 605 HG12 VAL 82 2HG1 VAL 82 18.396 11.861 -1.199 606 HG13 VAL 82 3HG1 VAL 82 16.704 11.920 -0.703 607 HG21 VAL 82 3HG2 VAL 82 19.720 12.548 1.926 608 HG22 VAL 82 1HG2 VAL 82 19.788 11.681 0.391 609 HG23 VAL 82 2HG2 VAL 82 20.118 13.413 0.441 610 H ARG 83 H ARG 83 15.688 14.435 -0.606 611 HA ARG 83 HA ARG 83 13.830 14.618 1.671 612 HB2 ARG 83 2HB ARG 83 14.271 16.554 -0.382 613 HB3 ARG 83 3HB ARG 83 12.661 15.878 -0.593 614 HG2 ARG 83 2HG ARG 83 11.863 16.870 1.252 615 HG3 ARG 83 3HG ARG 83 13.344 16.588 2.169 616 HD2 ARG 83 2HD ARG 83 14.323 18.536 1.450 617 HD3 ARG 83 3HD ARG 83 13.390 18.577 -0.045 618 HE ARG 83 HE ARG 83 12.654 19.711 2.489 619 HH11 ARG 83 1HH1 ARG 83 11.468 18.461 -0.536 620 HH12 ARG 83 2HH1 ARG 83 9.981 19.349 -0.470 621 HH21 ARG 83 1HH2 ARG 83 10.700 20.885 2.588 622 HH22 ARG 83 2HH2 ARG 83 9.546 20.727 1.307 623 H VAL 84 H VAL 84 11.843 13.578 1.433 624 HA VAL 84 HA VAL 84 11.443 11.989 -0.999 625 HB VAL 84 HB VAL 84 12.469 10.371 0.365 626 HG11 VAL 84 1HG1 VAL 84 12.023 10.013 2.689 627 HG12 VAL 84 2HG1 VAL 84 12.346 11.732 2.453 628 HG13 VAL 84 3HG1 VAL 84 10.688 11.165 2.663 629 HG21 VAL 84 3HG2 VAL 84 9.648 9.803 1.135 630 HG22 VAL 84 1HG2 VAL 84 10.054 9.930 -0.577 631 HG23 VAL 84 2HG2 VAL 84 10.863 8.734 0.435 632 H SER 85 H SER 85 9.334 11.663 -1.563 633 HA SER 85 HA SER 85 7.168 12.122 0.265 634 HB2 SER 85 2HB SER 85 7.220 14.015 -2.065 635 HB3 SER 85 3HB SER 85 6.301 14.124 -0.563 636 HG SER 85 HG SER 85 7.869 15.449 -0.055 637 H LYS 86 H LYS 86 5.040 12.358 -1.227 638 HA LYS 86 HA LYS 86 5.229 10.138 -3.149 639 HB2 LYS 86 2HB LYS 86 3.192 10.957 -1.158 640 HB3 LYS 86 3HB LYS 86 2.582 10.322 -2.680 641 HG2 LYS 86 2HG LYS 86 2.714 8.421 -1.402 642 HG3 LYS 86 3HG LYS 86 4.268 8.390 -2.238 643 HD2 LYS 86 2HD LYS 86 5.215 8.222 -0.226 644 HD3 LYS 86 3HD LYS 86 4.749 9.905 0.035 645 HE2 LYS 86 2HE LYS 86 2.699 7.824 0.546 646 HE3 LYS 86 3HE LYS 86 4.036 7.940 1.689 647 HZ1 LYS 86 3HZ LYS 86 3.477 10.143 2.211 648 HZ2 LYS 86 1HZ LYS 86 2.001 9.315 2.192 649 HZ3 LYS 86 2HZ LYS 86 2.437 10.297 0.886 650 H MET 87 H MET 87 5.140 10.704 -5.213 651 HA MET 87 HA MET 87 4.214 13.298 -6.028 652 HB2 MET 87 2HB MET 87 6.038 11.547 -7.041 653 HB3 MET 87 3HB MET 87 4.672 11.265 -8.112 654 HG2 MET 87 2HG MET 87 4.649 13.887 -8.239 655 HG3 MET 87 3HG MET 87 6.333 13.701 -7.753 656 HE1 MET 87 3HE MET 87 4.843 13.698 -11.867 657 HE2 MET 87 1HE MET 87 3.703 12.986 -10.725 658 HE3 MET 87 2HE MET 87 4.388 14.580 -10.408 659 H GLU 88 H GLU 88 2.972 12.906 -8.418 660 HA GLU 88 HA GLU 88 0.925 12.596 -9.361 661 HB2 GLU 88 2HB GLU 88 1.620 10.089 -8.139 662 HB3 GLU 88 3HB GLU 88 -0.116 10.341 -8.016 663 HG2 GLU 88 2HG GLU 88 0.488 11.059 -10.620 664 HG3 GLU 88 3HG GLU 88 1.498 9.648 -10.311 665 H THR 89 H THR 89 1.307 13.916 -6.635 666 HA THR 89 HA THR 89 -1.454 13.706 -5.645 667 HB THR 89 HB THR 89 -0.349 15.211 -3.757 668 HG1 THR 89 HG1 THR 89 1.829 14.687 -3.477 669 HG21 THR 89 3HG2 THR 89 0.173 13.138 -2.510 670 HG22 THR 89 1HG2 THR 89 0.030 12.225 -4.012 671 HG23 THR 89 2HG2 THR 89 -1.377 13.055 -3.347 672 H THR 90 H THR 90 -2.466 15.747 -4.902 673 HA THR 90 HA THR 90 -1.712 18.004 -6.644 674 HB THR 90 HB THR 90 -4.529 17.433 -5.733 675 HG1 THR 90 HG1 THR 90 -4.585 15.916 -7.196 676 HG21 THR 90 3HG2 THR 90 -5.163 18.967 -7.460 677 HG22 THR 90 1HG2 THR 90 -3.512 19.046 -8.071 678 HG23 THR 90 2HG2 THR 90 -3.904 19.737 -6.496 679 H ASN 91 H ASN 91 -1.770 20.059 -5.795 680 HA ASN 91 HA ASN 91 -2.216 20.227 -2.887 681 HB2 ASN 91 2HB ASN 91 -0.003 21.099 -4.571 682 HB3 ASN 91 3HB ASN 91 -0.639 22.408 -3.579 683 HD21 ASN 91 1HD2 ASN 91 1.336 19.688 -3.673 684 HD22 ASN 91 2HD2 ASN 91 1.664 19.556 -1.982 Start of MODEL 17 1 H GLY 1 H GLY 1 0.262 -0.347 0.656 2 HA2 GLY 1 2HA GLY 1 0.604 1.636 -0.936 3 HA3 GLY 1 3HA GLY 1 -0.240 2.537 0.315 4 H GLU 2 H GLU 2 1.162 3.773 1.365 5 HA GLU 2 HA GLU 2 3.040 4.493 2.433 6 HB2 GLU 2 2HB GLU 2 2.976 1.578 3.171 7 HB3 GLU 2 3HB GLU 2 4.249 2.638 3.760 8 HG2 GLU 2 2HG GLU 2 2.115 4.109 4.423 9 HG3 GLU 2 3HG GLU 2 1.399 2.500 4.502 10 H LYS 3 H LYS 3 3.561 4.468 -0.123 11 HA LYS 3 HA LYS 3 5.834 2.799 -0.771 12 HB2 LYS 3 2HB LYS 3 4.377 4.979 -2.260 13 HB3 LYS 3 3HB LYS 3 5.825 4.209 -2.893 14 HG2 LYS 3 2HG LYS 3 4.767 2.194 -3.241 15 HG3 LYS 3 3HG LYS 3 3.513 2.526 -2.043 16 HD2 LYS 3 2HD LYS 3 3.149 4.536 -3.883 17 HD3 LYS 3 3HD LYS 3 3.601 3.159 -4.891 18 HE2 LYS 3 2HE LYS 3 1.861 1.833 -3.616 19 HE3 LYS 3 3HE LYS 3 1.314 3.369 -2.947 20 HZ1 LYS 3 3HZ LYS 3 1.527 3.659 -5.717 21 HZ2 LYS 3 1HZ LYS 3 0.127 3.688 -4.769 22 HZ3 LYS 3 2HZ LYS 3 0.674 2.228 -5.424 23 H THR 4 H THR 4 7.731 3.277 0.124 24 HA THR 4 HA THR 4 8.519 6.113 0.300 25 HB THR 4 HB THR 4 10.055 5.455 2.117 26 HG1 THR 4 HG1 THR 4 10.190 3.199 1.435 27 HG21 THR 4 3HG2 THR 4 7.523 6.070 2.399 28 HG22 THR 4 1HG2 THR 4 8.456 5.498 3.781 29 HG23 THR 4 2HG2 THR 4 7.382 4.393 2.925 30 H VAL 5 H VAL 5 10.853 6.531 0.078 31 HA VAL 5 HA VAL 5 11.941 4.958 -2.123 32 HB VAL 5 HB VAL 5 13.626 6.801 -2.278 33 HG11 VAL 5 1HG1 VAL 5 12.220 8.193 -3.481 34 HG12 VAL 5 2HG1 VAL 5 11.304 6.686 -3.430 35 HG13 VAL 5 3HG1 VAL 5 10.890 8.008 -2.339 36 HG21 VAL 5 3HG2 VAL 5 12.593 7.443 0.277 37 HG22 VAL 5 1HG2 VAL 5 13.876 8.255 -0.620 38 HG23 VAL 5 2HG2 VAL 5 12.203 8.781 -0.804 39 H LYS 6 H LYS 6 13.456 3.472 -1.830 40 HA LYS 6 HA LYS 6 14.784 3.258 0.749 41 HB2 LYS 6 2HB LYS 6 15.151 1.396 -1.588 42 HB3 LYS 6 3HB LYS 6 15.371 1.057 0.124 43 HG2 LYS 6 2HG LYS 6 13.338 0.174 0.093 44 HG3 LYS 6 3HG LYS 6 12.718 1.819 -0.067 45 HD2 LYS 6 2HD LYS 6 12.814 1.613 -2.507 46 HD3 LYS 6 3HD LYS 6 13.431 -0.033 -2.343 47 HE2 LYS 6 2HE LYS 6 11.386 -0.861 -2.015 48 HE3 LYS 6 3HE LYS 6 10.999 0.375 -0.819 49 HZ1 LYS 6 3HZ LYS 6 9.836 0.179 -3.225 50 HZ2 LYS 6 1HZ LYS 6 11.050 1.312 -3.552 51 HZ3 LYS 6 2HZ LYS 6 9.924 1.610 -2.326 52 H LEU 7 H LEU 7 16.910 3.599 1.120 53 HA LEU 7 HA LEU 7 18.498 4.627 -1.132 54 HB2 LEU 7 2HB LEU 7 19.155 5.019 1.767 55 HB3 LEU 7 3HB LEU 7 19.695 5.960 0.378 56 HG LEU 7 HG LEU 7 16.841 5.935 1.342 57 HD11 LEU 7 1HD1 LEU 7 17.237 7.848 2.623 58 HD12 LEU 7 2HD1 LEU 7 18.831 8.104 1.915 59 HD13 LEU 7 3HD1 LEU 7 18.568 6.766 3.033 60 HD21 LEU 7 3HD2 LEU 7 17.441 8.331 0.094 61 HD22 LEU 7 1HD2 LEU 7 16.534 6.986 -0.597 62 HD23 LEU 7 2HD2 LEU 7 18.268 7.120 -0.887 63 H TYR 8 H TYR 8 20.184 3.495 -1.826 64 HA TYR 8 HA TYR 8 21.194 1.316 -0.122 65 HB2 TYR 8 2HB TYR 8 21.018 1.595 -3.118 66 HB3 TYR 8 3HB TYR 8 22.045 0.388 -2.352 67 HD1 TYR 8 HD2 TYR 8 18.544 1.498 -2.778 68 HD2 TYR 8 HD1 TYR 8 21.130 -1.613 -1.462 69 HE1 TYR 8 HE2 TYR 8 16.618 -0.022 -2.608 70 HE2 TYR 8 HE1 TYR 8 19.211 -3.143 -1.289 71 HH TYR 8 HH TYR 8 16.876 -3.297 -2.397 72 H GLU 9 H GLU 9 23.277 1.293 0.468 73 HA GLU 9 HA GLU 9 24.913 3.582 -0.120 74 HB2 GLU 9 2HB GLU 9 26.426 2.733 1.499 75 HB3 GLU 9 3HB GLU 9 24.813 2.388 2.108 76 HG2 GLU 9 2HG GLU 9 25.257 0.098 0.828 77 HG3 GLU 9 3HG GLU 9 26.927 0.545 1.172 78 H ASP 10 H ASP 10 24.762 0.237 -1.130 79 HA ASP 10 HA ASP 10 27.102 0.685 -2.863 80 HB2 ASP 10 2HB ASP 10 26.464 -1.465 -1.103 81 HB3 ASP 10 3HB ASP 10 26.422 -2.082 -2.753 82 H THR 11 H THR 11 26.823 0.650 -5.002 83 HA THR 11 HA THR 11 24.305 0.710 -6.189 84 HB THR 11 HB THR 11 26.099 1.711 -7.378 85 HG1 THR 11 HG1 THR 11 24.904 1.022 -9.009 86 HG21 THR 11 3HG2 THR 11 27.965 0.317 -8.317 87 HG22 THR 11 1HG2 THR 11 27.401 -1.009 -7.302 88 HG23 THR 11 2HG2 THR 11 27.982 0.483 -6.562 89 H HIS 12 H HIS 12 23.344 -0.759 -7.736 90 HA HIS 12 HA HIS 12 22.525 -2.780 -8.385 91 HB2 HIS 12 2HB HIS 12 25.169 -3.014 -8.760 92 HB3 HIS 12 3HB HIS 12 24.957 -4.262 -7.536 93 HD1 HIS 12 HD1 HIS 12 24.391 -6.492 -8.432 94 HD2 HIS 12 HD2 HIS 12 23.263 -3.454 -11.032 95 HE1 HIS 12 HE1 HIS 12 23.490 -7.653 -10.472 96 H PHE 13 H PHE 13 22.426 -1.839 -5.545 97 HA PHE 13 HA PHE 13 21.739 -2.562 -3.497 98 HB2 PHE 13 2HB PHE 13 20.649 -4.978 -4.933 99 HB3 PHE 13 3HB PHE 13 20.010 -4.188 -3.495 100 HD1 PHE 13 HD2 PHE 13 20.022 -1.370 -4.306 101 HD2 PHE 13 HD1 PHE 13 18.945 -4.858 -6.494 102 HE1 PHE 13 HE2 PHE 13 18.523 -0.020 -5.714 103 HE2 PHE 13 HE1 PHE 13 17.445 -3.514 -7.906 104 HZ PHE 13 HZ PHE 13 17.231 -1.092 -7.517 105 H LYS 14 H LYS 14 24.329 -3.073 -3.723 106 HA LYS 14 HA LYS 14 24.816 -5.882 -3.097 107 HB2 LYS 14 2HB LYS 14 26.404 -3.656 -4.112 108 HB3 LYS 14 3HB LYS 14 27.227 -4.540 -2.833 109 HG2 LYS 14 2HG LYS 14 25.966 -6.033 -5.089 110 HG3 LYS 14 3HG LYS 14 27.531 -5.249 -5.313 111 HD2 LYS 14 2HD LYS 14 28.325 -7.216 -4.540 112 HD3 LYS 14 3HD LYS 14 27.956 -6.510 -2.965 113 HE2 LYS 14 2HE LYS 14 26.454 -8.096 -2.559 114 HE3 LYS 14 3HE LYS 14 25.601 -7.722 -4.056 115 HZ1 LYS 14 3HZ LYS 14 27.483 -9.098 -5.129 116 HZ2 LYS 14 1HZ LYS 14 26.213 -9.905 -4.357 117 HZ3 LYS 14 2HZ LYS 14 27.701 -9.727 -3.574 118 H GLY 15 H GLY 15 24.711 -2.740 -1.575 119 HA2 GLY 15 2HA GLY 15 25.740 -3.854 0.935 120 HA3 GLY 15 3HA GLY 15 25.485 -2.150 0.591 121 H TYR 16 H TYR 16 24.268 -1.729 2.411 122 HA TYR 16 HA TYR 16 21.888 -3.308 2.937 123 HB2 TYR 16 2HB TYR 16 23.579 -2.097 4.626 124 HB3 TYR 16 3HB TYR 16 22.414 -0.793 4.432 125 HD1 TYR 16 HD2 TYR 16 22.491 -4.466 5.120 126 HD2 TYR 16 HD1 TYR 16 20.607 -0.726 5.868 127 HE1 TYR 16 HE2 TYR 16 21.018 -5.545 6.768 128 HE2 TYR 16 HE1 TYR 16 19.129 -1.794 7.519 129 HH TYR 16 HH TYR 16 18.430 -4.762 7.712 130 H SER 17 H SER 17 19.918 -1.832 3.640 131 HA SER 17 HA SER 17 19.510 0.316 1.692 132 HB2 SER 17 2HB SER 17 17.129 -1.337 1.937 133 HB3 SER 17 3HB SER 17 17.952 -0.765 0.486 134 HG SER 17 HG SER 17 19.089 -2.851 1.976 135 H VAL 18 H VAL 18 18.128 1.919 2.353 136 HA VAL 18 HA VAL 18 16.661 1.562 4.859 137 HB VAL 18 HB VAL 18 18.740 2.488 5.629 138 HG11 VAL 18 1HG1 VAL 18 18.388 4.816 3.758 139 HG12 VAL 18 2HG1 VAL 18 19.796 4.400 4.736 140 HG13 VAL 18 3HG1 VAL 18 19.361 3.404 3.347 141 HG21 VAL 18 3HG2 VAL 18 16.343 3.529 6.211 142 HG22 VAL 18 1HG2 VAL 18 17.841 4.100 6.945 143 HG23 VAL 18 2HG2 VAL 18 17.136 4.974 5.585 144 H GLU 19 H GLU 19 14.638 2.099 4.395 145 HA GLU 19 HA GLU 19 14.163 4.331 2.532 146 HB2 GLU 19 2HB GLU 19 12.143 3.307 1.855 147 HB3 GLU 19 3HB GLU 19 13.337 2.018 1.890 148 HG2 GLU 19 2HG GLU 19 12.416 1.689 4.333 149 HG3 GLU 19 3HG GLU 19 10.998 2.487 3.656 150 H LEU 20 H LEU 20 12.606 5.883 3.038 151 HA LEU 20 HA LEU 20 11.316 5.768 5.646 152 HB2 LEU 20 2HB LEU 20 12.226 8.348 5.650 153 HB3 LEU 20 3HB LEU 20 12.893 7.019 6.596 154 HG LEU 20 HG LEU 20 13.945 7.542 3.848 155 HD11 LEU 20 1HD1 LEU 20 15.577 9.100 4.749 156 HD12 LEU 20 2HD1 LEU 20 14.800 9.026 6.330 157 HD13 LEU 20 3HD1 LEU 20 13.941 9.725 4.958 158 HD21 LEU 20 3HD2 LEU 20 15.310 5.907 4.465 159 HD22 LEU 20 1HD2 LEU 20 14.572 5.854 6.066 160 HD23 LEU 20 2HD2 LEU 20 15.930 6.937 5.757 161 HA PRO 21 HA PRO 21 8.044 7.741 3.472 162 HB2 PRO 21 2HB PRO 21 6.751 8.929 5.542 163 HB3 PRO 21 3HB PRO 21 6.709 7.185 5.257 164 HG2 PRO 21 2HG PRO 21 8.393 8.751 7.173 165 HG3 PRO 21 3HG PRO 21 7.535 7.221 7.430 166 HD2 PRO 21 2HD PRO 21 10.195 7.334 6.937 167 HD3 PRO 21 3HD PRO 21 9.181 5.979 6.400 168 H VAL 22 H VAL 22 6.977 9.906 3.204 169 HA VAL 22 HA VAL 22 8.578 11.861 2.323 170 HB VAL 22 HB VAL 22 6.183 12.027 2.065 171 HG11 VAL 22 1HG1 VAL 22 4.754 12.787 3.941 172 HG12 VAL 22 2HG1 VAL 22 5.450 11.186 4.202 173 HG13 VAL 22 3HG1 VAL 22 6.129 12.590 5.027 174 HG21 VAL 22 3HG2 VAL 22 7.330 14.395 3.541 175 HG22 VAL 22 1HG2 VAL 22 7.424 14.085 1.807 176 HG23 VAL 22 2HG2 VAL 22 5.866 14.428 2.559 177 H GLY 23 H GLY 23 9.642 13.678 3.078 178 HA2 GLY 23 2HA GLY 23 9.634 15.036 5.361 179 HA3 GLY 23 3HA GLY 23 10.415 13.552 5.887 180 H ASP 24 H ASP 24 12.144 15.154 6.405 181 HA ASP 24 HA ASP 24 13.965 15.354 4.114 182 HB2 ASP 24 2HB ASP 24 13.975 17.597 6.079 183 HB3 ASP 24 3HB ASP 24 14.405 17.597 4.371 184 H TYR 25 H TYR 25 15.856 14.451 4.563 185 HA TYR 25 HA TYR 25 16.799 14.442 7.349 186 HB2 TYR 25 2HB TYR 25 17.762 12.129 6.798 187 HB3 TYR 25 3HB TYR 25 16.029 12.233 7.088 188 HD1 TYR 25 HD2 TYR 25 14.545 12.534 4.953 189 HD2 TYR 25 HD1 TYR 25 18.530 11.045 4.898 190 HE1 TYR 25 HE2 TYR 25 14.113 11.475 2.776 191 HE2 TYR 25 HE1 TYR 25 18.110 9.982 2.720 192 HH TYR 25 HH TYR 25 15.995 9.125 1.468 193 H ASN 26 H ASN 26 18.936 14.839 7.644 194 HA ASN 26 HA ASN 26 20.526 15.341 5.217 195 HB2 ASN 26 2HB ASN 26 21.133 16.541 7.907 196 HB3 ASN 26 3HB ASN 26 21.613 17.111 6.311 197 HD21 ASN 26 1HD2 ASN 26 19.573 17.629 8.839 198 HD22 ASN 26 2HD2 ASN 26 18.356 18.558 8.038 199 H LEU 27 H LEU 27 23.023 15.563 6.318 200 HA LEU 27 HA LEU 27 23.976 12.979 6.362 201 HB2 LEU 27 2HB LEU 27 25.543 14.664 5.986 202 HB3 LEU 27 3HB LEU 27 25.070 15.553 7.433 203 HG LEU 27 HG LEU 27 26.286 12.870 7.808 204 HD11 LEU 27 1HD1 LEU 27 28.251 15.027 7.617 205 HD12 LEU 27 2HD1 LEU 27 27.539 14.560 6.073 206 HD13 LEU 27 3HD1 LEU 27 28.343 13.351 7.074 207 HD21 LEU 27 3HD2 LEU 27 27.448 14.750 9.475 208 HD22 LEU 27 1HD2 LEU 27 26.126 13.657 9.885 209 HD23 LEU 27 2HD2 LEU 27 25.776 15.291 9.319 210 H SER 28 H SER 28 23.376 15.078 9.178 211 HA SER 28 HA SER 28 24.062 13.208 11.144 212 HB2 SER 28 2HB SER 28 23.107 15.842 11.094 213 HB3 SER 28 3HB SER 28 21.905 14.937 12.014 214 HG SER 28 HG SER 28 24.693 14.795 12.510 215 H SER 29 H SER 29 21.060 13.750 9.406 216 HA SER 29 HA SER 29 19.467 12.035 11.035 217 HB2 SER 29 2HB SER 29 18.975 12.911 8.179 218 HB3 SER 29 3HB SER 29 17.776 12.267 9.300 219 HG SER 29 HG SER 29 17.510 14.238 9.941 220 H LEU 30 H LEU 30 21.467 11.594 8.200 221 HA LEU 30 HA LEU 30 20.523 9.085 7.375 222 HB2 LEU 30 2HB LEU 30 23.190 10.441 7.117 223 HB3 LEU 30 3HB LEU 30 22.886 8.843 6.441 224 HG LEU 30 HG LEU 30 21.101 11.122 5.699 225 HD11 LEU 30 1HD1 LEU 30 23.862 11.256 5.354 226 HD12 LEU 30 2HD1 LEU 30 22.636 12.218 4.529 227 HD13 LEU 30 3HD1 LEU 30 23.228 10.728 3.794 228 HD21 LEU 30 3HD2 LEU 30 20.430 9.770 4.020 229 HD22 LEU 30 1HD2 LEU 30 21.030 8.504 5.091 230 HD23 LEU 30 2HD2 LEU 30 22.041 9.095 3.772 231 H ILE 31 H ILE 31 23.292 9.894 9.468 232 HA ILE 31 HA ILE 31 24.024 7.265 10.089 233 HB ILE 31 HB ILE 31 24.347 9.735 11.797 234 HG12 ILE 31 2HG1 ILE 31 26.775 8.931 10.585 235 HG13 ILE 31 3HG1 ILE 31 25.553 8.932 9.317 236 HG21 ILE 31 1HG2 ILE 31 26.446 8.169 12.419 237 HG22 ILE 31 2HG2 ILE 31 24.933 8.182 13.323 238 HG23 ILE 31 3HG2 ILE 31 25.222 6.939 12.106 239 HD11 ILE 31 3HD1 ILE 31 26.730 11.170 10.820 240 HD12 ILE 31 1HD1 ILE 31 26.157 11.090 9.154 241 HD13 ILE 31 2HD1 ILE 31 25.005 11.284 10.476 242 H SER 32 H SER 32 21.624 9.400 11.510 243 HA SER 32 HA SER 32 21.097 8.047 13.880 244 HB2 SER 32 2HB SER 32 19.535 9.859 12.105 245 HB3 SER 32 3HB SER 32 18.646 8.955 13.331 246 HG SER 32 HG SER 32 19.549 11.102 13.924 247 H ARG 33 H ARG 33 20.317 7.211 10.613 248 HA ARG 33 HA ARG 33 18.624 4.996 11.556 249 HB2 ARG 33 2HB ARG 33 18.848 5.966 8.710 250 HB3 ARG 33 3HB ARG 33 17.604 4.938 9.410 251 HG2 ARG 33 2HG ARG 33 17.377 7.180 10.934 252 HG3 ARG 33 3HG ARG 33 17.838 7.852 9.369 253 HD2 ARG 33 2HD ARG 33 15.659 7.711 8.874 254 HD3 ARG 33 3HD ARG 33 15.966 5.987 8.668 255 HE ARG 33 HE ARG 33 15.329 6.752 11.369 256 HH11 ARG 33 1HH1 ARG 33 14.056 5.780 8.278 257 HH12 ARG 33 2HH1 ARG 33 12.572 5.173 8.933 258 HH21 ARG 33 1HH2 ARG 33 13.378 5.957 12.244 259 HH22 ARG 33 2HH2 ARG 33 12.187 5.275 11.189 260 H GLY 34 H GLY 34 21.622 5.800 10.090 261 HA2 GLY 34 2HA GLY 34 23.341 4.056 10.183 262 HA3 GLY 34 3HA GLY 34 22.122 2.928 9.609 263 H ALA 35 H ALA 35 23.113 6.166 8.506 264 HA ALA 35 HA ALA 35 23.994 4.998 5.971 265 HB1 ALA 35 1HB ALA 35 21.756 6.947 6.312 266 HB2 ALA 35 2HB ALA 35 22.747 6.989 4.853 267 HB3 ALA 35 3HB ALA 35 21.858 5.525 5.274 268 H LEU 36 H LEU 36 24.827 6.939 4.525 269 HA LEU 36 HA LEU 36 26.173 8.953 6.160 270 HB2 LEU 36 2HB LEU 36 27.457 6.630 5.266 271 HB3 LEU 36 3HB LEU 36 27.998 7.916 4.189 272 HG LEU 36 HG LEU 36 29.509 7.527 6.109 273 HD11 LEU 36 1HD1 LEU 36 28.861 9.849 4.953 274 HD12 LEU 36 2HD1 LEU 36 30.063 9.715 6.236 275 HD13 LEU 36 3HD1 LEU 36 28.419 10.225 6.619 276 HD21 LEU 36 3HD2 LEU 36 27.404 7.092 7.626 277 HD22 LEU 36 1HD2 LEU 36 27.534 8.827 7.917 278 HD23 LEU 36 2HD2 LEU 36 28.889 7.765 8.300 279 H ASN 37 H ASN 37 26.446 10.876 5.148 280 HA ASN 37 HA ASN 37 24.949 11.555 2.930 281 HB2 ASN 37 2HB ASN 37 26.330 13.625 2.838 282 HB3 ASN 37 3HB ASN 37 25.763 13.245 4.461 283 HD21 ASN 37 1HD2 ASN 37 28.299 14.399 2.867 284 HD22 ASN 37 2HD2 ASN 37 29.590 13.877 3.890 285 H ASP 38 H ASP 38 28.435 10.863 3.071 286 HA ASP 38 HA ASP 38 28.471 10.707 0.138 287 HB2 ASP 38 2HB ASP 38 31.027 10.649 0.570 288 HB3 ASP 38 3HB ASP 38 30.171 12.174 0.777 289 H ASP 39 H ASP 39 27.555 8.638 -0.043 290 HA ASP 39 HA ASP 39 29.373 6.501 -0.089 291 HB2 ASP 39 2HB ASP 39 29.164 6.483 2.329 292 HB3 ASP 39 3HB ASP 39 27.407 6.451 2.209 293 H LEU 40 H LEU 40 26.033 7.563 0.053 294 HA LEU 40 HA LEU 40 24.655 5.395 -0.888 295 HB2 LEU 40 2HB LEU 40 24.338 8.320 -1.127 296 HB3 LEU 40 3HB LEU 40 23.416 7.345 -2.269 297 HG LEU 40 HG LEU 40 22.282 6.222 -0.452 298 HD11 LEU 40 1HD1 LEU 40 23.920 7.951 1.396 299 HD12 LEU 40 2HD1 LEU 40 24.146 6.221 1.147 300 HD13 LEU 40 3HD1 LEU 40 22.652 6.819 1.866 301 HD21 LEU 40 3HD2 LEU 40 20.914 7.960 -0.814 302 HD22 LEU 40 1HD2 LEU 40 22.233 9.131 -0.785 303 HD23 LEU 40 2HD2 LEU 40 21.529 8.560 0.728 304 H SER 41 H SER 41 24.609 4.230 -2.700 305 HA SER 41 HA SER 41 25.993 5.303 -5.072 306 HB2 SER 41 2HB SER 41 25.976 2.529 -3.901 307 HB3 SER 41 3HB SER 41 26.367 2.800 -5.599 308 HG SER 41 HG SER 41 28.149 2.796 -3.960 309 H SER 42 H SER 42 23.172 3.771 -3.793 310 HA SER 42 HA SER 42 21.869 4.042 -6.398 311 HB2 SER 42 2HB SER 42 21.970 1.802 -6.685 312 HB3 SER 42 3HB SER 42 22.391 1.514 -4.997 313 HG SER 42 HG SER 42 19.810 1.938 -6.090 314 H ALA 43 H ALA 43 19.500 3.988 -6.240 315 HA ALA 43 HA ALA 43 18.345 4.348 -3.603 316 HB1 ALA 43 1HB ALA 43 18.122 6.588 -5.604 317 HB2 ALA 43 2HB ALA 43 17.537 6.561 -3.940 318 HB3 ALA 43 3HB ALA 43 19.270 6.583 -4.265 319 H ARG 44 H ARG 44 16.652 3.029 -3.717 320 HA ARG 44 HA ARG 44 15.283 2.544 -6.214 321 HB2 ARG 44 2HB ARG 44 15.456 1.271 -3.597 322 HB3 ARG 44 3HB ARG 44 13.811 1.308 -4.218 323 HG2 ARG 44 2HG ARG 44 14.901 0.400 -6.398 324 HG3 ARG 44 3HG ARG 44 16.220 -0.060 -5.320 325 HD2 ARG 44 2HD ARG 44 14.982 -1.643 -4.256 326 HD3 ARG 44 3HD ARG 44 13.473 -0.755 -4.462 327 HE ARG 44 HE ARG 44 14.222 -1.583 -6.984 328 HH11 ARG 44 1HH1 ARG 44 13.439 -3.084 -3.942 329 HH12 ARG 44 2HH1 ARG 44 12.813 -4.528 -4.667 330 HH21 ARG 44 1HH2 ARG 44 13.400 -3.478 -7.950 331 HH22 ARG 44 2HH2 ARG 44 12.792 -4.751 -6.947 332 H VAL 45 H VAL 45 13.744 3.848 -6.934 333 HA VAL 45 HA VAL 45 11.670 4.779 -5.122 334 HB VAL 45 HB VAL 45 13.153 6.640 -4.959 335 HG11 VAL 45 1HG1 VAL 45 13.863 5.920 -7.617 336 HG12 VAL 45 2HG1 VAL 45 13.357 7.610 -7.613 337 HG13 VAL 45 3HG1 VAL 45 14.649 7.073 -6.539 338 HG21 VAL 45 3HG2 VAL 45 10.654 6.989 -5.493 339 HG22 VAL 45 1HG2 VAL 45 11.740 8.374 -5.605 340 HG23 VAL 45 2HG2 VAL 45 11.223 7.539 -7.069 341 HA PRO 46 HA PRO 46 10.020 3.412 -9.190 342 HB2 PRO 46 2HB PRO 46 7.808 2.244 -8.134 343 HB3 PRO 46 3HB PRO 46 9.366 1.418 -8.254 344 HG2 PRO 46 2HG PRO 46 8.122 2.781 -5.897 345 HG3 PRO 46 3HG PRO 46 8.985 1.233 -5.968 346 HD2 PRO 46 2HD PRO 46 10.154 3.515 -5.095 347 HD3 PRO 46 3HD PRO 46 11.057 2.244 -5.944 348 H SER 47 H SER 47 7.719 3.737 -10.046 349 HA SER 47 HA SER 47 7.054 6.411 -10.042 350 HB2 SER 47 2HB SER 47 5.782 3.929 -10.970 351 HB3 SER 47 3HB SER 47 4.648 5.239 -10.640 352 HG SER 47 HG SER 47 6.424 4.957 -12.680 353 H GLY 48 H GLY 48 5.114 7.506 -9.250 354 HA2 GLY 48 2HA GLY 48 3.582 8.079 -7.625 355 HA3 GLY 48 3HA GLY 48 3.620 6.411 -7.072 356 H LEU 49 H LEU 49 6.378 8.597 -7.311 357 HA LEU 49 HA LEU 49 6.415 9.376 -4.596 358 HB2 LEU 49 2HB LEU 49 7.087 6.767 -4.841 359 HB3 LEU 49 3HB LEU 49 8.667 7.527 -5.016 360 HG LEU 49 HG LEU 49 6.803 7.772 -2.657 361 HD11 LEU 49 1HD1 LEU 49 7.806 5.709 -2.423 362 HD12 LEU 49 2HD1 LEU 49 8.935 6.760 -1.569 363 HD13 LEU 49 3HD1 LEU 49 9.298 6.225 -3.210 364 HD21 LEU 49 3HD2 LEU 49 9.117 8.831 -1.811 365 HD22 LEU 49 1HD2 LEU 49 7.800 9.792 -2.484 366 HD23 LEU 49 2HD2 LEU 49 9.165 9.330 -3.502 367 H ARG 50 H ARG 50 7.749 11.073 -4.363 368 HA ARG 50 HA ARG 50 9.855 11.459 -6.386 369 HB2 ARG 50 2HB ARG 50 7.924 12.924 -6.839 370 HB3 ARG 50 3HB ARG 50 8.058 13.591 -5.218 371 HG2 ARG 50 2HG ARG 50 10.554 14.041 -6.113 372 HG3 ARG 50 3HG ARG 50 9.655 14.132 -7.629 373 HD2 ARG 50 2HD ARG 50 8.103 15.745 -6.516 374 HD3 ARG 50 3HD ARG 50 9.187 15.742 -5.125 375 HE ARG 50 HE ARG 50 10.627 17.091 -6.287 376 HH11 ARG 50 1HH1 ARG 50 8.326 15.699 -8.498 377 HH12 ARG 50 2HH1 ARG 50 8.829 16.672 -9.839 378 HH21 ARG 50 1HH2 ARG 50 11.298 18.379 -8.045 379 HH22 ARG 50 2HH2 ARG 50 10.521 18.196 -9.581 380 H LEU 51 H LEU 51 11.824 11.840 -5.597 381 HA LEU 51 HA LEU 51 12.058 12.701 -2.789 382 HB2 LEU 51 2HB LEU 51 13.883 11.255 -2.448 383 HB3 LEU 51 3HB LEU 51 12.634 10.292 -3.233 384 HG LEU 51 HG LEU 51 14.034 11.007 -5.397 385 HD11 LEU 51 1HD1 LEU 51 16.020 11.881 -4.958 386 HD12 LEU 51 2HD1 LEU 51 16.447 10.443 -4.032 387 HD13 LEU 51 3HD1 LEU 51 15.686 11.815 -3.227 388 HD21 LEU 51 3HD2 LEU 51 13.724 8.763 -5.219 389 HD22 LEU 51 1HD2 LEU 51 14.192 8.719 -3.519 390 HD23 LEU 51 2HD2 LEU 51 15.429 8.829 -4.772 391 H GLU 52 H GLU 52 13.734 14.113 -2.273 392 HA GLU 52 HA GLU 52 14.902 15.497 -4.588 393 HB2 GLU 52 2HB GLU 52 13.564 16.446 -2.290 394 HB3 GLU 52 3HB GLU 52 15.246 16.926 -2.118 395 HG2 GLU 52 2HG GLU 52 15.206 18.229 -4.036 396 HG3 GLU 52 3HG GLU 52 13.780 17.415 -4.676 397 H VAL 53 H VAL 53 17.093 16.194 -4.510 398 HA VAL 53 HA VAL 53 18.775 14.767 -2.560 399 HB VAL 53 HB VAL 53 19.383 15.044 -5.507 400 HG11 VAL 53 1HG1 VAL 53 21.188 13.336 -4.820 401 HG12 VAL 53 2HG1 VAL 53 21.449 15.039 -4.435 402 HG13 VAL 53 3HG1 VAL 53 20.904 13.923 -3.181 403 HG21 VAL 53 3HG2 VAL 53 19.276 12.343 -4.736 404 HG22 VAL 53 1HG2 VAL 53 17.829 13.107 -4.078 405 HG23 VAL 53 2HG2 VAL 53 18.170 13.206 -5.805 406 H PHE 54 H PHE 54 20.377 15.934 -1.668 407 HA PHE 54 HA PHE 54 21.067 18.519 -2.887 408 HB2 PHE 54 2HB PHE 54 20.793 18.150 0.093 409 HB3 PHE 54 3HB PHE 54 20.946 19.656 -0.807 410 HD1 PHE 54 HD1 PHE 54 19.033 20.322 -2.342 411 HD2 PHE 54 HD2 PHE 54 18.699 17.279 0.615 412 HE1 PHE 54 HE1 PHE 54 16.582 20.532 -2.408 413 HE2 PHE 54 HE2 PHE 54 16.248 17.483 0.553 414 HZ PHE 54 HZ PHE 54 15.187 19.110 -0.960 415 H GLN 55 H GLN 55 23.026 17.788 -3.659 416 HA GLN 55 HA GLN 55 24.865 16.184 -2.328 417 HB2 GLN 55 2HB GLN 55 25.276 18.338 -4.401 418 HB3 GLN 55 3HB GLN 55 26.568 17.284 -3.841 419 HG2 GLN 55 2HG GLN 55 25.974 15.787 -5.349 420 HG3 GLN 55 3HG GLN 55 24.412 15.620 -4.549 421 HE21 GLN 55 1HE2 GLN 55 22.887 15.654 -6.032 422 HE22 GLN 55 2HE2 GLN 55 22.775 16.763 -7.353 423 H HIS 56 H HIS 56 24.764 19.741 -2.503 424 HA HIS 56 HA HIS 56 26.883 20.017 -0.577 425 HB2 HIS 56 2HB HIS 56 25.038 22.005 -1.903 426 HB3 HIS 56 3HB HIS 56 26.254 22.473 -0.718 427 HD1 HIS 56 HD1 HIS 56 28.534 22.931 -1.602 428 HD2 HIS 56 HD2 HIS 56 26.223 20.753 -4.281 429 HE1 HIS 56 HE1 HIS 56 29.908 22.775 -3.703 430 H ASN 57 H ASN 57 26.618 21.265 1.432 431 HA ASN 57 HA ASN 57 24.210 20.390 2.836 432 HB2 ASN 57 2HB ASN 57 25.427 20.556 4.832 433 HB3 ASN 57 3HB ASN 57 26.624 19.993 3.670 434 HD21 ASN 57 1HD2 ASN 57 28.106 21.538 2.794 435 HD22 ASN 57 2HD2 ASN 57 28.527 22.945 3.705 436 H ASN 58 H ASN 58 23.293 21.894 4.489 437 HA ASN 58 HA ASN 58 22.220 23.828 5.018 438 HB2 ASN 58 2HB ASN 58 24.935 24.562 4.460 439 HB3 ASN 58 3HB ASN 58 23.867 25.841 3.890 440 HD21 ASN 58 1HD2 ASN 58 25.453 24.546 6.528 441 HD22 ASN 58 2HD2 ASN 58 24.647 25.427 7.777 442 H PHE 59 H PHE 59 22.064 22.558 2.246 443 HA PHE 59 HA PHE 59 21.037 22.926 0.246 444 HB2 PHE 59 2HB PHE 59 19.575 24.710 2.156 445 HB3 PHE 59 3HB PHE 59 19.168 24.762 0.444 446 HD1 PHE 59 HD1 PHE 59 19.931 22.060 2.908 447 HD2 PHE 59 HD2 PHE 59 17.280 23.576 -0.057 448 HE1 PHE 59 HE1 PHE 59 18.486 20.089 3.197 449 HE2 PHE 59 HE2 PHE 59 15.831 21.608 0.228 450 HZ PHE 59 HZ PHE 59 16.432 19.862 1.857 451 H LYS 60 H LYS 60 23.431 23.997 0.091 452 HA LYS 60 HA LYS 60 23.181 26.783 -0.765 453 HB2 LYS 60 2HB LYS 60 25.059 26.362 0.669 454 HB3 LYS 60 3HB LYS 60 25.576 25.000 -0.316 455 HG2 LYS 60 2HG LYS 60 25.403 27.444 -1.859 456 HG3 LYS 60 3HG LYS 60 26.491 27.603 -0.478 457 HD2 LYS 60 2HD LYS 60 27.253 25.191 -1.399 458 HD3 LYS 60 3HD LYS 60 26.730 25.941 -2.909 459 HE2 LYS 60 2HE LYS 60 28.458 27.537 -1.098 460 HE3 LYS 60 3HE LYS 60 29.205 26.199 -1.970 461 HZ1 LYS 60 3HZ LYS 60 29.401 28.209 -3.245 462 HZ2 LYS 60 1HZ LYS 60 27.733 28.481 -3.171 463 HZ3 LYS 60 2HZ LYS 60 28.337 27.162 -4.040 464 H GLY 61 H GLY 61 25.120 24.095 -2.066 465 HA2 GLY 61 2HA GLY 61 25.171 24.992 -4.691 466 HA3 GLY 61 3HA GLY 61 25.381 23.315 -4.209 467 H VAL 62 H VAL 62 24.277 23.536 -6.553 468 HA VAL 62 HA VAL 62 21.522 23.998 -6.730 469 HB VAL 62 HB VAL 62 21.562 22.733 -8.796 470 HG11 VAL 62 1HG1 VAL 62 22.896 25.008 -8.367 471 HG12 VAL 62 2HG1 VAL 62 24.236 23.996 -8.910 472 HG13 VAL 62 3HG1 VAL 62 22.826 24.224 -9.945 473 HG21 VAL 62 3HG2 VAL 62 24.172 21.882 -9.147 474 HG22 VAL 62 1HG2 VAL 62 23.783 21.391 -7.498 475 HG23 VAL 62 2HG2 VAL 62 22.770 20.857 -8.839 476 H ARG 63 H ARG 63 19.735 22.715 -6.495 477 HA ARG 63 HA ARG 63 20.160 20.194 -5.049 478 HB2 ARG 63 2HB ARG 63 17.888 20.468 -4.208 479 HB3 ARG 63 3HB ARG 63 18.844 21.905 -3.874 480 HG2 ARG 63 2HG ARG 63 17.807 23.050 -5.756 481 HG3 ARG 63 3HG ARG 63 16.867 21.603 -6.125 482 HD2 ARG 63 2HD ARG 63 15.763 21.753 -3.957 483 HD3 ARG 63 3HD ARG 63 16.729 23.172 -3.552 484 HE ARG 63 HE ARG 63 15.473 23.848 -5.876 485 HH11 ARG 63 1HH1 ARG 63 14.423 22.724 -2.753 486 HH12 ARG 63 2HH1 ARG 63 12.902 23.552 -2.821 487 HH21 ARG 63 1HH2 ARG 63 13.474 24.943 -5.978 488 HH22 ARG 63 2HH2 ARG 63 12.364 24.813 -4.656 489 H ASP 64 H ASP 64 19.477 18.294 -5.850 490 HA ASP 64 HA ASP 64 18.161 18.340 -8.478 491 HB2 ASP 64 2HB ASP 64 20.260 16.683 -7.275 492 HB3 ASP 64 3HB ASP 64 19.013 15.751 -8.099 493 H PHE 65 H PHE 65 16.942 16.106 -8.822 494 HA PHE 65 HA PHE 65 15.475 15.225 -6.494 495 HB2 PHE 65 2HB PHE 65 13.259 15.805 -7.458 496 HB3 PHE 65 3HB PHE 65 14.214 17.223 -7.034 497 HD1 PHE 65 HD2 PHE 65 15.376 18.494 -8.848 498 HD2 PHE 65 HD1 PHE 65 12.525 15.440 -9.658 499 HE1 PHE 65 HE2 PHE 65 15.098 19.364 -11.133 500 HE2 PHE 65 HE1 PHE 65 12.243 16.304 -11.945 501 HZ PHE 65 HZ PHE 65 13.530 18.270 -12.684 502 H TYR 66 H TYR 66 15.200 13.111 -6.700 503 HA TYR 66 HA TYR 66 15.273 11.936 -9.389 504 HB2 TYR 66 2HB TYR 66 16.346 11.159 -6.803 505 HB3 TYR 66 3HB TYR 66 15.409 9.860 -7.532 506 HD1 TYR 66 HD2 TYR 66 15.931 9.792 -10.263 507 HD2 TYR 66 HD1 TYR 66 18.606 10.967 -7.170 508 HE1 TYR 66 HE2 TYR 66 17.840 9.220 -11.705 509 HE2 TYR 66 HE1 TYR 66 20.522 10.400 -8.604 510 HH TYR 66 HH TYR 66 20.052 9.008 -11.833 511 H THR 67 H THR 67 13.757 10.392 -10.039 512 HA THR 67 HA THR 67 11.441 9.926 -8.324 513 HB THR 67 HB THR 67 9.894 10.470 -10.239 514 HG1 THR 67 HG1 THR 67 10.957 12.122 -11.690 515 HG21 THR 67 3HG2 THR 67 11.377 12.948 -9.450 516 HG22 THR 67 1HG2 THR 67 10.544 11.992 -8.225 517 HG23 THR 67 2HG2 THR 67 9.639 12.677 -9.574 518 H SER 68 H SER 68 13.685 8.362 -9.544 519 HA SER 68 HA SER 68 12.120 6.098 -10.346 520 HB2 SER 68 2HB SER 68 13.103 5.799 -12.564 521 HB3 SER 68 3HB SER 68 12.247 7.339 -12.485 522 HG SER 68 HG SER 68 14.704 6.985 -13.227 523 H ASP 69 H ASP 69 13.443 4.162 -10.648 524 HA ASP 69 HA ASP 69 15.327 3.788 -8.672 525 HB2 ASP 69 2HB ASP 69 14.075 2.041 -10.084 526 HB3 ASP 69 3HB ASP 69 15.390 2.218 -11.242 527 H ALA 70 H ALA 70 17.244 4.703 -8.409 528 HA ALA 70 HA ALA 70 18.856 5.322 -10.797 529 HB1 ALA 70 1HB ALA 70 19.748 7.180 -9.722 530 HB2 ALA 70 2HB ALA 70 18.056 7.196 -9.222 531 HB3 ALA 70 3HB ALA 70 19.295 6.594 -8.121 532 H ALA 71 H ALA 71 20.143 3.577 -11.066 533 HA ALA 71 HA ALA 71 21.225 2.019 -8.971 534 HB1 ALA 71 1HB ALA 71 20.989 1.690 -11.648 535 HB2 ALA 71 2HB ALA 71 22.712 2.036 -11.505 536 HB3 ALA 71 3HB ALA 71 22.006 0.691 -10.609 537 H GLU 72 H GLU 72 22.168 5.018 -10.350 538 HA GLU 72 HA GLU 72 24.695 4.906 -8.839 539 HB2 GLU 72 2HB GLU 72 24.537 5.106 -11.562 540 HB3 GLU 72 3HB GLU 72 24.604 6.798 -11.089 541 HG2 GLU 72 2HG GLU 72 26.569 5.487 -9.577 542 HG3 GLU 72 3HG GLU 72 26.708 4.866 -11.221 543 H LEU 73 H LEU 73 24.577 6.208 -7.143 544 HA LEU 73 HA LEU 73 22.632 8.087 -6.611 545 HB2 LEU 73 2HB LEU 73 24.368 7.079 -5.048 546 HB3 LEU 73 3HB LEU 73 25.460 8.336 -5.623 547 HG LEU 73 HG LEU 73 24.332 8.786 -3.421 548 HD11 LEU 73 1HD1 LEU 73 23.403 10.981 -5.117 549 HD12 LEU 73 2HD1 LEU 73 25.064 10.478 -5.427 550 HD13 LEU 73 3HD1 LEU 73 24.582 10.976 -3.805 551 HD21 LEU 73 3HD2 LEU 73 22.043 9.404 -3.354 552 HD22 LEU 73 1HD2 LEU 73 22.121 7.845 -4.175 553 HD23 LEU 73 2HD2 LEU 73 21.899 9.324 -5.111 554 H SER 74 H SER 74 22.325 10.216 -7.014 555 HA SER 74 HA SER 74 23.328 11.421 -9.272 556 HB2 SER 74 2HB SER 74 21.337 12.108 -7.762 557 HB3 SER 74 3HB SER 74 22.527 13.070 -6.886 558 HG SER 74 HG SER 74 21.554 14.305 -8.513 559 H ARG 75 H ARG 75 25.331 11.979 -9.777 560 HA ARG 75 HA ARG 75 27.438 12.828 -9.663 561 HB2 ARG 75 2HB ARG 75 26.576 14.180 -7.105 562 HB3 ARG 75 3HB ARG 75 27.880 14.660 -8.182 563 HG2 ARG 75 2HG ARG 75 24.976 14.648 -8.967 564 HG3 ARG 75 3HG ARG 75 25.827 16.060 -8.338 565 HD2 ARG 75 2HD ARG 75 26.053 16.407 -10.592 566 HD3 ARG 75 3HD ARG 75 27.523 15.493 -10.260 567 HE ARG 75 HE ARG 75 26.727 13.840 -11.610 568 HH11 ARG 75 1HH1 ARG 75 24.046 15.791 -10.550 569 HH12 ARG 75 2HH1 ARG 75 22.886 14.964 -11.536 570 HH21 ARG 75 1HH2 ARG 75 25.210 12.743 -12.912 571 HH22 ARG 75 2HH2 ARG 75 23.549 13.230 -12.878 572 H ASP 76 H ASP 76 29.445 12.878 -8.247 573 HA ASP 76 HA ASP 76 29.971 10.361 -7.225 574 HB2 ASP 76 2HB ASP 76 31.319 13.017 -6.991 575 HB3 ASP 76 3HB ASP 76 31.879 11.697 -5.968 576 H ASN 77 H ASN 77 30.452 9.665 -5.044 577 HA ASN 77 HA ASN 77 28.381 9.971 -3.258 578 HB2 ASN 77 2HB ASN 77 31.215 9.376 -2.404 579 HB3 ASN 77 3HB ASN 77 29.723 8.820 -1.653 580 HD21 ASN 77 1HD2 ASN 77 32.131 7.483 -2.925 581 HD22 ASN 77 2HD2 ASN 77 31.438 6.323 -4.003 582 H ASP 78 H ASP 78 27.695 11.860 -2.473 583 HA ASP 78 HA ASP 78 29.117 13.261 -0.514 584 HB2 ASP 78 2HB ASP 78 30.140 13.939 -2.929 585 HB3 ASP 78 3HB ASP 78 28.852 15.132 -2.788 586 H ALA 79 H ALA 79 26.500 12.192 -1.035 587 HA ALA 79 HA ALA 79 24.670 14.349 -1.476 588 HB1 ALA 79 1HB ALA 79 23.325 12.277 -0.142 589 HB2 ALA 79 2HB ALA 79 23.346 12.614 -1.874 590 HB3 ALA 79 3HB ALA 79 24.524 11.502 -1.178 591 H SER 80 H SER 80 25.219 15.949 0.028 592 HA SER 80 HA SER 80 25.649 15.675 2.735 593 HB2 SER 80 2HB SER 80 25.975 17.799 1.595 594 HB3 SER 80 3HB SER 80 24.244 17.931 1.284 595 HG SER 80 HG SER 80 25.455 17.866 3.852 596 H SER 81 H SER 81 22.525 16.549 1.243 597 HA SER 81 HA SER 81 21.164 15.033 3.351 598 HB2 SER 81 2HB SER 81 20.831 17.097 4.320 599 HB3 SER 81 3HB SER 81 20.898 17.950 2.779 600 HG SER 81 HG SER 81 18.773 17.829 3.740 601 H VAL 82 H VAL 82 18.929 14.514 2.833 602 HA VAL 82 HA VAL 82 18.265 14.713 -0.021 603 HB VAL 82 HB VAL 82 17.386 12.175 0.992 604 HG11 VAL 82 1HG1 VAL 82 17.485 12.283 -1.287 605 HG12 VAL 82 2HG1 VAL 82 18.970 13.236 -1.290 606 HG13 VAL 82 3HG1 VAL 82 19.033 11.504 -0.960 607 HG21 VAL 82 3HG2 VAL 82 19.291 12.310 2.505 608 HG22 VAL 82 1HG2 VAL 82 19.565 11.085 1.265 609 HG23 VAL 82 2HG2 VAL 82 20.362 12.654 1.147 610 H ARG 83 H ARG 83 15.985 14.205 -0.477 611 HA ARG 83 HA ARG 83 14.224 14.605 1.843 612 HB2 ARG 83 2HB ARG 83 14.721 16.478 -0.244 613 HB3 ARG 83 3HB ARG 83 13.078 15.883 -0.435 614 HG2 ARG 83 2HG ARG 83 12.375 16.767 1.559 615 HG3 ARG 83 3HG ARG 83 13.993 16.742 2.264 616 HD2 ARG 83 2HD ARG 83 14.619 18.701 1.233 617 HD3 ARG 83 3HD ARG 83 13.462 18.502 -0.082 618 HE ARG 83 HE ARG 83 12.111 18.881 2.375 619 HH11 ARG 83 1HH1 ARG 83 13.950 20.593 -0.035 620 HH12 ARG 83 2HH1 ARG 83 13.188 22.117 0.278 621 HH21 ARG 83 1HH2 ARG 83 11.101 20.882 2.797 622 HH22 ARG 83 2HH2 ARG 83 11.569 22.281 1.890 623 H VAL 84 H VAL 84 12.078 13.814 1.593 624 HA VAL 84 HA VAL 84 11.619 12.068 -0.722 625 HB VAL 84 HB VAL 84 12.387 10.493 0.851 626 HG11 VAL 84 1HG1 VAL 84 10.547 11.606 2.955 627 HG12 VAL 84 2HG1 VAL 84 11.846 10.429 3.154 628 HG13 VAL 84 3HG1 VAL 84 12.228 12.112 2.786 629 HG21 VAL 84 3HG2 VAL 84 10.607 9.045 0.961 630 HG22 VAL 84 1HG2 VAL 84 9.476 10.302 1.462 631 HG23 VAL 84 2HG2 VAL 84 10.003 10.209 -0.218 632 H SER 85 H SER 85 9.516 11.907 -1.381 633 HA SER 85 HA SER 85 7.325 12.778 0.257 634 HB2 SER 85 2HB SER 85 7.873 14.425 -2.214 635 HB3 SER 85 3HB SER 85 6.671 14.720 -0.957 636 HG SER 85 HG SER 85 8.577 16.042 -0.786 637 H LYS 86 H LYS 86 5.789 11.370 -0.219 638 HA LYS 86 HA LYS 86 5.787 9.910 -2.693 639 HB2 LYS 86 2HB LYS 86 3.598 9.881 -0.623 640 HB3 LYS 86 3HB LYS 86 4.044 8.608 -1.752 641 HG2 LYS 86 2HG LYS 86 6.148 8.280 -0.553 642 HG3 LYS 86 3HG LYS 86 5.695 9.554 0.583 643 HD2 LYS 86 2HD LYS 86 4.118 7.024 0.118 644 HD3 LYS 86 3HD LYS 86 5.262 7.266 1.441 645 HE2 LYS 86 2HE LYS 86 3.693 9.465 1.694 646 HE3 LYS 86 3HE LYS 86 2.529 8.292 1.083 647 HZ1 LYS 86 3HZ LYS 86 2.377 7.538 3.147 648 HZ2 LYS 86 1HZ LYS 86 3.663 8.503 3.675 649 HZ3 LYS 86 2HZ LYS 86 3.967 6.972 3.024 650 H MET 87 H MET 87 4.901 10.596 -4.517 651 HA MET 87 HA MET 87 2.936 12.748 -4.451 652 HB2 MET 87 2HB MET 87 5.062 12.295 -6.091 653 HB3 MET 87 3HB MET 87 3.748 11.642 -7.059 654 HG2 MET 87 2HG MET 87 3.692 13.785 -7.780 655 HG3 MET 87 3HG MET 87 2.607 13.931 -6.400 656 HE1 MET 87 3HE MET 87 3.925 17.228 -6.236 657 HE2 MET 87 1HE MET 87 2.591 16.074 -6.212 658 HE3 MET 87 2HE MET 87 3.401 16.517 -4.709 659 H GLU 88 H GLU 88 1.491 12.333 -6.720 660 HA GLU 88 HA GLU 88 -0.381 11.312 -7.510 661 HB2 GLU 88 2HB GLU 88 1.561 9.254 -7.188 662 HB3 GLU 88 3HB GLU 88 0.002 8.606 -6.697 663 HG2 GLU 88 2HG GLU 88 -0.741 9.793 -8.965 664 HG3 GLU 88 3HG GLU 88 0.947 9.472 -9.358 665 H THR 89 H THR 89 -0.015 12.063 -4.570 666 HA THR 89 HA THR 89 -2.236 10.466 -3.477 667 HB THR 89 HB THR 89 -1.367 11.641 -1.268 668 HG1 THR 89 HG1 THR 89 0.601 12.428 -1.407 669 HG21 THR 89 3HG2 THR 89 -1.178 9.119 -2.346 670 HG22 THR 89 1HG2 THR 89 -0.722 9.567 -0.703 671 HG23 THR 89 2HG2 THR 89 0.501 9.508 -1.973 672 H THR 90 H THR 90 -1.106 13.669 -4.231 673 HA THR 90 HA THR 90 -3.393 14.930 -2.938 674 HB THR 90 HB THR 90 -2.391 17.058 -3.678 675 HG1 THR 90 HG1 THR 90 -0.321 16.962 -4.700 676 HG21 THR 90 3HG2 THR 90 -1.252 15.181 -1.845 677 HG22 THR 90 1HG2 THR 90 -1.295 16.941 -1.743 678 HG23 THR 90 2HG2 THR 90 0.039 16.138 -2.571 679 H ASN 91 H ASN 91 -5.202 15.512 -3.960 680 HA ASN 91 HA ASN 91 -5.243 15.332 -6.901 681 HB2 ASN 91 2HB ASN 91 -6.666 13.735 -5.389 682 HB3 ASN 91 3HB ASN 91 -7.724 15.134 -5.229 683 HD21 ASN 91 1HD2 ASN 91 -5.855 13.785 -7.925 684 HD22 ASN 91 2HD2 ASN 91 -7.193 13.656 -9.010 Start of MODEL 18 1 H GLY 1 H GLY 1 8.116 -3.233 3.317 2 HA2 GLY 1 2HA GLY 1 6.490 -1.236 4.719 3 HA3 GLY 1 3HA GLY 1 8.132 -0.797 4.274 4 H GLU 2 H GLU 2 6.421 0.842 3.251 5 HA GLU 2 HA GLU 2 6.636 0.474 0.444 6 HB2 GLU 2 2HB GLU 2 4.117 0.642 0.039 7 HB3 GLU 2 3HB GLU 2 4.749 -0.926 0.524 8 HG2 GLU 2 2HG GLU 2 3.925 -0.688 2.723 9 HG3 GLU 2 3HG GLU 2 3.573 1.022 2.481 10 H LYS 3 H LYS 3 5.571 2.303 -0.761 11 HA LYS 3 HA LYS 3 5.426 4.548 -1.109 12 HB2 LYS 3 2HB LYS 3 4.201 4.662 1.647 13 HB3 LYS 3 3HB LYS 3 3.929 5.768 0.307 14 HG2 LYS 3 2HG LYS 3 3.059 2.890 0.464 15 HG3 LYS 3 3HG LYS 3 2.026 4.317 0.576 16 HD2 LYS 3 2HD LYS 3 1.791 4.298 -1.634 17 HD3 LYS 3 3HD LYS 3 3.530 4.551 -1.809 18 HE2 LYS 3 2HE LYS 3 3.252 2.596 -2.983 19 HE3 LYS 3 3HE LYS 3 3.643 1.972 -1.381 20 HZ1 LYS 3 3HZ LYS 3 1.438 1.407 -0.980 21 HZ2 LYS 3 1HZ LYS 3 1.662 0.968 -2.599 22 HZ3 LYS 3 2HZ LYS 3 0.842 2.397 -2.216 23 H THR 4 H THR 4 7.873 3.607 -0.002 24 HA THR 4 HA THR 4 8.781 6.085 1.275 25 HB THR 4 HB THR 4 10.311 4.725 2.744 26 HG1 THR 4 HG1 THR 4 8.551 2.628 1.941 27 HG21 THR 4 3HG2 THR 4 8.190 3.877 4.159 28 HG22 THR 4 1HG2 THR 4 7.375 4.956 3.028 29 HG23 THR 4 2HG2 THR 4 8.666 5.571 4.060 30 H VAL 5 H VAL 5 11.126 6.396 1.127 31 HA VAL 5 HA VAL 5 12.120 5.396 -1.428 32 HB VAL 5 HB VAL 5 13.237 7.551 0.373 33 HG11 VAL 5 1HG1 VAL 5 14.275 6.217 -1.994 34 HG12 VAL 5 2HG1 VAL 5 14.181 7.969 -2.182 35 HG13 VAL 5 3HG1 VAL 5 15.090 7.272 -0.840 36 HG21 VAL 5 3HG2 VAL 5 11.170 8.335 -0.450 37 HG22 VAL 5 1HG2 VAL 5 12.396 9.038 -1.506 38 HG23 VAL 5 2HG2 VAL 5 11.456 7.648 -2.049 39 H LYS 6 H LYS 6 13.458 3.729 -1.509 40 HA LYS 6 HA LYS 6 14.947 2.969 0.898 41 HB2 LYS 6 2HB LYS 6 13.870 1.511 -1.449 42 HB3 LYS 6 3HB LYS 6 15.389 0.918 -0.791 43 HG2 LYS 6 2HG LYS 6 14.051 -0.297 0.533 44 HG3 LYS 6 3HG LYS 6 13.949 1.192 1.476 45 HD2 LYS 6 2HD LYS 6 11.957 1.774 -0.040 46 HD3 LYS 6 3HD LYS 6 11.976 0.066 -0.487 47 HE2 LYS 6 2HE LYS 6 11.733 1.142 2.321 48 HE3 LYS 6 3HE LYS 6 10.399 0.536 1.341 49 HZ1 LYS 6 3HZ LYS 6 10.995 -1.252 2.677 50 HZ2 LYS 6 1HZ LYS 6 12.655 -0.971 2.507 51 HZ3 LYS 6 2HZ LYS 6 11.766 -1.594 1.211 52 H LEU 7 H LEU 7 16.862 3.979 0.979 53 HA LEU 7 HA LEU 7 18.398 4.414 -1.455 54 HB2 LEU 7 2HB LEU 7 18.396 5.487 1.285 55 HB3 LEU 7 3HB LEU 7 19.985 5.327 0.540 56 HG LEU 7 HG LEU 7 17.782 6.746 -0.907 57 HD11 LEU 7 1HD1 LEU 7 17.891 8.613 0.330 58 HD12 LEU 7 2HD1 LEU 7 19.615 8.424 0.651 59 HD13 LEU 7 3HD1 LEU 7 18.436 7.526 1.607 60 HD21 LEU 7 3HD2 LEU 7 20.415 6.105 -1.499 61 HD22 LEU 7 1HD2 LEU 7 20.471 7.808 -1.044 62 HD23 LEU 7 2HD2 LEU 7 19.399 7.276 -2.341 63 H TYR 8 H TYR 8 19.985 3.124 -2.110 64 HA TYR 8 HA TYR 8 20.982 1.084 -0.241 65 HB2 TYR 8 2HB TYR 8 19.899 0.160 -2.217 66 HB3 TYR 8 3HB TYR 8 20.944 1.111 -3.266 67 HD1 TYR 8 HD1 TYR 8 22.069 -0.654 -0.221 68 HD2 TYR 8 HD2 TYR 8 21.933 -0.685 -4.474 69 HE1 TYR 8 HE1 TYR 8 23.701 -2.494 -0.254 70 HE2 TYR 8 HE2 TYR 8 23.563 -2.526 -4.518 71 HH TYR 8 HH TYR 8 25.200 -3.601 -1.630 72 H GLU 9 H GLU 9 23.116 0.900 0.202 73 HA GLU 9 HA GLU 9 24.813 3.104 -0.206 74 HB2 GLU 9 2HB GLU 9 26.493 1.847 0.917 75 HB3 GLU 9 3HB GLU 9 24.959 1.414 1.659 76 HG2 GLU 9 2HG GLU 9 24.913 -0.616 0.220 77 HG3 GLU 9 3HG GLU 9 26.536 -0.201 -0.328 78 H ASP 10 H ASP 10 24.648 -0.058 -1.790 79 HA ASP 10 HA ASP 10 26.657 0.845 -3.734 80 HB2 ASP 10 2HB ASP 10 26.482 -1.533 -2.382 81 HB3 ASP 10 3HB ASP 10 25.727 -1.936 -3.921 82 H THR 11 H THR 11 25.913 -1.009 -5.764 83 HA THR 11 HA THR 11 23.353 0.149 -6.659 84 HB THR 11 HB THR 11 24.141 0.330 -8.878 85 HG1 THR 11 HG1 THR 11 25.483 -1.150 -9.554 86 HG21 THR 11 3HG2 THR 11 25.003 2.053 -7.289 87 HG22 THR 11 1HG2 THR 11 26.015 1.826 -8.715 88 HG23 THR 11 2HG2 THR 11 26.498 1.127 -7.170 89 H HIS 12 H HIS 12 22.302 -1.162 -8.419 90 HA HIS 12 HA HIS 12 21.445 -3.109 -9.242 91 HB2 HIS 12 2HB HIS 12 24.084 -3.651 -9.180 92 HB3 HIS 12 3HB HIS 12 23.513 -4.851 -8.024 93 HD1 HIS 12 HD1 HIS 12 22.224 -6.846 -8.937 94 HD2 HIS 12 HD2 HIS 12 23.155 -4.021 -11.838 95 HE1 HIS 12 HE1 HIS 12 21.694 -7.942 -11.138 96 H PHE 13 H PHE 13 21.541 -2.197 -6.196 97 HA PHE 13 HA PHE 13 20.632 -2.872 -4.213 98 HB2 PHE 13 2HB PHE 13 18.717 -4.473 -5.903 99 HB3 PHE 13 3HB PHE 13 18.406 -3.678 -4.363 100 HD1 PHE 13 HD2 PHE 13 18.877 -1.046 -4.433 101 HD2 PHE 13 HD1 PHE 13 17.888 -3.475 -7.785 102 HE1 PHE 13 HE2 PHE 13 18.054 0.942 -5.627 103 HE2 PHE 13 HE1 PHE 13 17.064 -1.491 -8.985 104 HZ PHE 13 HZ PHE 13 17.145 0.721 -7.905 105 H LYS 14 H LYS 14 22.805 -4.283 -4.449 106 HA LYS 14 HA LYS 14 22.051 -7.093 -3.986 107 HB2 LYS 14 2HB LYS 14 24.372 -7.668 -4.552 108 HB3 LYS 14 3HB LYS 14 23.575 -6.821 -5.872 109 HG2 LYS 14 2HG LYS 14 25.428 -5.578 -5.917 110 HG3 LYS 14 3HG LYS 14 24.725 -4.759 -4.520 111 HD2 LYS 14 2HD LYS 14 26.202 -5.676 -3.077 112 HD3 LYS 14 3HD LYS 14 26.228 -7.224 -3.926 113 HE2 LYS 14 2HE LYS 14 27.485 -5.803 -5.758 114 HE3 LYS 14 3HE LYS 14 27.858 -4.772 -4.378 115 HZ1 LYS 14 3HZ LYS 14 29.496 -6.608 -4.934 116 HZ2 LYS 14 1HZ LYS 14 28.349 -7.687 -4.316 117 HZ3 LYS 14 2HZ LYS 14 29.006 -6.489 -3.319 118 H GLY 15 H GLY 15 21.985 -4.833 -2.064 119 HA2 GLY 15 2HA GLY 15 23.566 -6.142 0.021 120 HA3 GLY 15 3HA GLY 15 23.858 -4.432 -0.260 121 H TYR 16 H TYR 16 22.950 -3.293 1.312 122 HA TYR 16 HA TYR 16 20.174 -3.926 2.055 123 HB2 TYR 16 2HB TYR 16 22.075 -4.547 3.753 124 HB3 TYR 16 3HB TYR 16 22.075 -2.819 4.089 125 HD1 TYR 16 HD1 TYR 16 19.926 -1.739 4.870 126 HD2 TYR 16 HD2 TYR 16 20.431 -5.959 4.676 127 HE1 TYR 16 HE1 TYR 16 18.022 -2.031 6.400 128 HE2 TYR 16 HE2 TYR 16 18.528 -6.263 6.204 129 HH TYR 16 HH TYR 16 17.098 -5.229 7.593 130 H SER 17 H SER 17 18.808 -2.233 2.156 131 HA SER 17 HA SER 17 19.962 0.453 1.782 132 HB2 SER 17 2HB SER 17 17.429 0.728 0.840 133 HB3 SER 17 3HB SER 17 18.814 0.326 -0.174 134 HG SER 17 HG SER 17 16.722 -1.070 -0.062 135 H VAL 18 H VAL 18 18.300 2.208 2.413 136 HA VAL 18 HA VAL 18 17.015 1.440 4.953 137 HB VAL 18 HB VAL 18 19.108 2.763 5.280 138 HG11 VAL 18 1HG1 VAL 18 19.368 4.935 4.524 139 HG12 VAL 18 2HG1 VAL 18 18.585 4.151 3.151 140 HG13 VAL 18 3HG1 VAL 18 17.640 5.156 4.250 141 HG21 VAL 18 3HG2 VAL 18 18.181 4.239 6.934 142 HG22 VAL 18 1HG2 VAL 18 16.614 4.232 6.124 143 HG23 VAL 18 2HG2 VAL 18 17.214 2.764 6.896 144 H GLU 19 H GLU 19 14.987 2.176 5.322 145 HA GLU 19 HA GLU 19 13.555 3.311 3.101 146 HB2 GLU 19 2HB GLU 19 11.576 3.077 4.543 147 HB3 GLU 19 3HB GLU 19 12.507 1.588 4.464 148 HG2 GLU 19 2HG GLU 19 13.117 3.442 6.686 149 HG3 GLU 19 3HG GLU 19 11.576 2.589 6.742 150 H LEU 20 H LEU 20 12.585 5.312 2.968 151 HA LEU 20 HA LEU 20 13.042 7.220 5.139 152 HB2 LEU 20 2HB LEU 20 13.861 7.650 2.271 153 HB3 LEU 20 3HB LEU 20 13.810 8.915 3.497 154 HG LEU 20 HG LEU 20 15.636 6.514 3.458 155 HD11 LEU 20 1HD1 LEU 20 17.401 8.164 3.194 156 HD12 LEU 20 2HD1 LEU 20 16.207 9.461 3.180 157 HD13 LEU 20 3HD1 LEU 20 16.238 8.277 1.873 158 HD21 LEU 20 3HD2 LEU 20 16.446 8.394 5.383 159 HD22 LEU 20 1HD2 LEU 20 15.844 6.758 5.653 160 HD23 LEU 20 2HD2 LEU 20 14.723 8.120 5.648 161 HA PRO 21 HA PRO 21 8.755 7.610 3.614 162 HB2 PRO 21 2HB PRO 21 7.758 8.390 6.016 163 HB3 PRO 21 3HB PRO 21 8.015 6.694 5.587 164 HG2 PRO 21 2HG PRO 21 9.734 8.514 7.229 165 HG3 PRO 21 3HG PRO 21 9.296 6.821 7.523 166 HD2 PRO 21 2HD PRO 21 11.686 7.547 6.478 167 HD3 PRO 21 3HD PRO 21 10.880 6.024 6.051 168 H VAL 22 H VAL 22 7.226 9.492 3.793 169 HA VAL 22 HA VAL 22 8.156 11.795 2.775 170 HB VAL 22 HB VAL 22 5.928 11.660 4.812 171 HG11 VAL 22 1HG1 VAL 22 5.187 13.587 3.096 172 HG12 VAL 22 2HG1 VAL 22 6.089 13.903 4.579 173 HG13 VAL 22 3HG1 VAL 22 6.937 13.792 3.037 174 HG21 VAL 22 3HG2 VAL 22 4.828 10.442 3.313 175 HG22 VAL 22 1HG2 VAL 22 4.920 11.802 2.194 176 HG23 VAL 22 2HG2 VAL 22 6.170 10.559 2.175 177 H GLY 23 H GLY 23 9.657 13.202 3.378 178 HA2 GLY 23 2HA GLY 23 9.759 14.875 5.453 179 HA3 GLY 23 3HA GLY 23 10.412 13.414 6.181 180 H ASP 24 H ASP 24 12.062 15.441 6.275 181 HA ASP 24 HA ASP 24 13.925 15.062 4.023 182 HB2 ASP 24 2HB ASP 24 14.841 17.329 5.162 183 HB3 ASP 24 3HB ASP 24 13.645 17.312 3.868 184 H TYR 25 H TYR 25 16.087 14.685 4.457 185 HA TYR 25 HA TYR 25 16.798 14.244 7.279 186 HB2 TYR 25 2HB TYR 25 17.748 12.446 5.055 187 HB3 TYR 25 3HB TYR 25 17.836 12.172 6.791 188 HD1 TYR 25 HD2 TYR 25 15.438 12.470 3.968 189 HD2 TYR 25 HD1 TYR 25 16.136 10.999 7.899 190 HE1 TYR 25 HE2 TYR 25 13.319 11.225 3.872 191 HE2 TYR 25 HE1 TYR 25 14.020 9.749 7.814 192 HH TYR 25 HH TYR 25 11.625 10.330 5.712 193 H ASN 26 H ASN 26 18.490 15.423 7.846 194 HA ASN 26 HA ASN 26 20.169 16.647 5.832 195 HB2 ASN 26 2HB ASN 26 19.281 17.460 8.304 196 HB3 ASN 26 3HB ASN 26 20.951 17.011 8.637 197 HD21 ASN 26 1HD2 ASN 26 22.456 18.468 8.245 198 HD22 ASN 26 2HD2 ASN 26 22.267 19.881 7.269 199 H LEU 27 H LEU 27 22.622 16.819 6.732 200 HA LEU 27 HA LEU 27 23.873 14.454 6.080 201 HB2 LEU 27 2HB LEU 27 25.175 16.393 6.022 202 HB3 LEU 27 3HB LEU 27 24.764 16.825 7.681 203 HG LEU 27 HG LEU 27 26.253 14.308 7.403 204 HD11 LEU 27 1HD1 LEU 27 28.395 15.398 6.999 205 HD12 LEU 27 2HD1 LEU 27 27.574 16.936 6.739 206 HD13 LEU 27 3HD1 LEU 27 27.313 15.597 5.621 207 HD21 LEU 27 3HD2 LEU 27 26.091 16.657 9.206 208 HD22 LEU 27 1HD2 LEU 27 27.613 15.768 9.160 209 HD23 LEU 27 2HD2 LEU 27 26.118 14.934 9.584 210 H SER 28 H SER 28 23.632 15.772 9.389 211 HA SER 28 HA SER 28 24.572 13.487 10.694 212 HB2 SER 28 2HB SER 28 23.870 14.502 12.707 213 HB3 SER 28 3HB SER 28 24.218 15.856 11.632 214 HG SER 28 HG SER 28 22.265 16.384 12.328 215 H SER 29 H SER 29 21.257 14.494 9.936 216 HA SER 29 HA SER 29 19.881 12.458 11.236 217 HB2 SER 29 2HB SER 29 19.153 14.587 9.693 218 HB3 SER 29 3HB SER 29 18.767 13.243 8.619 219 HG SER 29 HG SER 29 17.811 13.698 11.248 220 H LEU 30 H LEU 30 21.632 12.427 8.221 221 HA LEU 30 HA LEU 30 20.552 9.960 7.264 222 HB2 LEU 30 2HB LEU 30 22.654 11.854 6.459 223 HB3 LEU 30 3HB LEU 30 22.935 10.178 5.991 224 HG LEU 30 HG LEU 30 20.245 11.080 5.343 225 HD11 LEU 30 1HD1 LEU 30 20.626 12.832 3.958 226 HD12 LEU 30 2HD1 LEU 30 22.273 12.325 3.583 227 HD13 LEU 30 3HD1 LEU 30 21.926 13.136 5.111 228 HD21 LEU 30 3HD2 LEU 30 21.527 9.027 4.554 229 HD22 LEU 30 1HD2 LEU 30 22.414 10.125 3.497 230 HD23 LEU 30 2HD2 LEU 30 20.667 9.955 3.325 231 H ILE 31 H ILE 31 23.264 10.881 9.274 232 HA ILE 31 HA ILE 31 24.677 8.442 9.186 233 HB ILE 31 HB ILE 31 24.605 10.300 11.556 234 HG12 ILE 31 2HG1 ILE 31 24.960 11.722 9.658 235 HG13 ILE 31 3HG1 ILE 31 26.524 11.467 10.422 236 HG21 ILE 31 1HG2 ILE 31 26.094 7.966 10.879 237 HG22 ILE 31 2HG2 ILE 31 27.191 9.344 10.946 238 HG23 ILE 31 3HG2 ILE 31 26.183 8.951 12.338 239 HD11 ILE 31 3HD1 ILE 31 26.305 9.439 8.530 240 HD12 ILE 31 1HD1 ILE 31 25.677 10.885 7.740 241 HD13 ILE 31 2HD1 ILE 31 27.299 10.892 8.433 242 H SER 32 H SER 32 22.203 9.662 11.420 243 HA SER 32 HA SER 32 22.189 7.585 13.252 244 HB2 SER 32 2HB SER 32 20.898 9.521 13.747 245 HB3 SER 32 3HB SER 32 19.964 9.368 12.260 246 HG SER 32 HG SER 32 19.814 7.835 14.619 247 H ARG 33 H ARG 33 20.447 7.857 10.178 248 HA ARG 33 HA ARG 33 18.981 5.469 10.391 249 HB2 ARG 33 2HB ARG 33 19.664 7.381 8.260 250 HB3 ARG 33 3HB ARG 33 19.343 5.745 7.700 251 HG2 ARG 33 2HG ARG 33 17.174 6.148 7.817 252 HG3 ARG 33 3HG ARG 33 17.322 6.399 9.558 253 HD2 ARG 33 2HD ARG 33 18.239 8.767 8.641 254 HD3 ARG 33 3HD ARG 33 17.090 8.357 7.368 255 HE ARG 33 HE ARG 33 15.369 8.699 8.849 256 HH11 ARG 33 1HH1 ARG 33 18.383 8.540 10.585 257 HH12 ARG 33 2HH1 ARG 33 17.694 9.058 12.088 258 HH21 ARG 33 1HH2 ARG 33 14.451 9.382 10.822 259 HH22 ARG 33 2HH2 ARG 33 15.457 9.535 12.222 260 H GLY 34 H GLY 34 22.305 6.043 9.779 261 HA2 GLY 34 2HA GLY 34 23.905 4.283 9.938 262 HA3 GLY 34 3HA GLY 34 22.690 3.165 9.338 263 H ALA 35 H ALA 35 22.922 6.167 7.701 264 HA ALA 35 HA ALA 35 24.616 4.972 5.615 265 HB1 ALA 35 1HB ALA 35 22.973 6.299 4.031 266 HB2 ALA 35 2HB ALA 35 22.619 4.652 4.555 267 HB3 ALA 35 3HB ALA 35 21.845 6.018 5.358 268 H LEU 36 H LEU 36 26.300 6.237 5.226 269 HA LEU 36 HA LEU 36 26.516 8.877 6.234 270 HB2 LEU 36 2HB LEU 36 28.267 6.961 5.349 271 HB3 LEU 36 3HB LEU 36 28.360 8.178 4.078 272 HG LEU 36 HG LEU 36 30.107 8.476 5.765 273 HD11 LEU 36 1HD1 LEU 36 28.591 10.400 4.624 274 HD12 LEU 36 2HD1 LEU 36 30.017 10.715 5.612 275 HD13 LEU 36 3HD1 LEU 36 28.409 10.807 6.331 276 HD21 LEU 36 3HD2 LEU 36 29.639 8.070 7.898 277 HD22 LEU 36 1HD2 LEU 36 27.907 8.045 7.565 278 HD23 LEU 36 2HD2 LEU 36 28.712 9.571 7.930 279 H ASN 37 H ASN 37 26.494 10.851 5.192 280 HA ASN 37 HA ASN 37 24.638 11.303 3.207 281 HB2 ASN 37 2HB ASN 37 25.987 13.496 2.851 282 HB3 ASN 37 3HB ASN 37 25.252 13.198 4.423 283 HD21 ASN 37 1HD2 ASN 37 26.538 12.814 6.186 284 HD22 ASN 37 2HD2 ASN 37 28.252 13.033 6.166 285 H ASP 38 H ASP 38 28.170 11.071 2.845 286 HA ASP 38 HA ASP 38 27.805 10.869 -0.063 287 HB2 ASP 38 2HB ASP 38 30.391 11.147 0.011 288 HB3 ASP 38 3HB ASP 38 29.371 12.553 0.304 289 H ASP 39 H ASP 39 27.212 8.713 -0.223 290 HA ASP 39 HA ASP 39 29.302 6.838 -0.414 291 HB2 ASP 39 2HB ASP 39 29.318 6.659 1.953 292 HB3 ASP 39 3HB ASP 39 27.559 6.648 2.038 293 H LEU 40 H LEU 40 25.853 7.405 -0.032 294 HA LEU 40 HA LEU 40 24.789 5.060 -1.001 295 HB2 LEU 40 2HB LEU 40 23.921 7.915 -1.214 296 HB3 LEU 40 3HB LEU 40 22.994 6.642 -2.006 297 HG LEU 40 HG LEU 40 21.976 7.176 0.106 298 HD11 LEU 40 1HD1 LEU 40 23.450 4.569 0.414 299 HD12 LEU 40 2HD1 LEU 40 22.065 4.802 -0.652 300 HD13 LEU 40 3HD1 LEU 40 21.880 5.004 1.090 301 HD21 LEU 40 3HD2 LEU 40 23.065 7.245 2.156 302 HD22 LEU 40 1HD2 LEU 40 24.227 7.999 1.064 303 HD23 LEU 40 2HD2 LEU 40 24.448 6.323 1.566 304 H SER 41 H SER 41 24.533 4.112 -2.953 305 HA SER 41 HA SER 41 25.690 5.505 -5.280 306 HB2 SER 41 2HB SER 41 25.745 2.553 -4.612 307 HB3 SER 41 3HB SER 41 26.299 3.241 -6.138 308 HG SER 41 HG SER 41 27.501 3.237 -3.659 309 H SER 42 H SER 42 23.057 3.637 -4.010 310 HA SER 42 HA SER 42 21.546 4.158 -6.465 311 HB2 SER 42 2HB SER 42 22.322 1.847 -6.669 312 HB3 SER 42 3HB SER 42 21.668 1.469 -5.076 313 HG SER 42 HG SER 42 20.204 2.246 -7.381 314 H ALA 43 H ALA 43 19.155 3.659 -6.094 315 HA ALA 43 HA ALA 43 18.118 3.612 -3.457 316 HB1 ALA 43 1HB ALA 43 17.789 5.768 -2.911 317 HB2 ALA 43 2HB ALA 43 19.122 6.061 -4.029 318 HB3 ALA 43 3HB ALA 43 17.456 6.247 -4.576 319 H ARG 44 H ARG 44 16.392 2.398 -3.869 320 HA ARG 44 HA ARG 44 14.844 2.873 -6.310 321 HB2 ARG 44 2HB ARG 44 15.690 0.540 -5.097 322 HB3 ARG 44 3HB ARG 44 14.000 0.643 -4.621 323 HG2 ARG 44 2HG ARG 44 13.358 0.850 -6.978 324 HG3 ARG 44 3HG ARG 44 15.056 0.711 -7.440 325 HD2 ARG 44 2HD ARG 44 15.181 -1.518 -6.748 326 HD3 ARG 44 3HD ARG 44 13.720 -1.390 -5.770 327 HE ARG 44 HE ARG 44 13.100 -0.935 -8.483 328 HH11 ARG 44 1HH1 ARG 44 14.002 -3.488 -6.295 329 HH12 ARG 44 2HH1 ARG 44 13.205 -4.727 -7.206 330 HH21 ARG 44 1HH2 ARG 44 12.046 -2.558 -9.691 331 HH22 ARG 44 2HH2 ARG 44 12.094 -4.197 -9.138 332 H VAL 45 H VAL 45 12.657 3.319 -6.291 333 HA VAL 45 HA VAL 45 11.326 3.673 -3.713 334 HB VAL 45 HB VAL 45 10.574 5.912 -4.209 335 HG11 VAL 45 1HG1 VAL 45 13.500 6.100 -4.751 336 HG12 VAL 45 2HG1 VAL 45 12.499 7.030 -3.634 337 HG13 VAL 45 3HG1 VAL 45 12.947 5.368 -3.245 338 HG21 VAL 45 3HG2 VAL 45 12.202 5.686 -6.739 339 HG22 VAL 45 1HG2 VAL 45 10.443 5.752 -6.630 340 HG23 VAL 45 2HG2 VAL 45 11.408 7.151 -6.160 341 HA PRO 46 HA PRO 46 7.821 2.095 -5.839 342 HB2 PRO 46 2HB PRO 46 5.812 3.242 -4.418 343 HB3 PRO 46 3HB PRO 46 6.810 1.928 -3.783 344 HG2 PRO 46 2HG PRO 46 7.021 4.874 -3.293 345 HG3 PRO 46 3HG PRO 46 7.161 3.535 -2.139 346 HD2 PRO 46 2HD PRO 46 9.321 4.810 -3.160 347 HD3 PRO 46 3HD PRO 46 9.344 3.088 -2.730 348 H SER 47 H SER 47 5.693 2.832 -6.839 349 HA SER 47 HA SER 47 6.247 5.065 -8.564 350 HB2 SER 47 2HB SER 47 4.377 2.813 -8.511 351 HB3 SER 47 3HB SER 47 3.648 4.305 -9.105 352 HG SER 47 HG SER 47 4.736 2.933 -10.707 353 H GLY 48 H GLY 48 5.529 7.094 -8.389 354 HA2 GLY 48 2HA GLY 48 3.960 8.778 -7.864 355 HA3 GLY 48 3HA GLY 48 3.166 7.662 -6.763 356 H LEU 49 H LEU 49 6.613 8.405 -6.864 357 HA LEU 49 HA LEU 49 6.345 9.861 -4.327 358 HB2 LEU 49 2HB LEU 49 7.088 7.341 -4.232 359 HB3 LEU 49 3HB LEU 49 8.646 8.007 -4.717 360 HG LEU 49 HG LEU 49 7.243 9.148 -2.340 361 HD11 LEU 49 1HD1 LEU 49 7.194 7.139 -1.364 362 HD12 LEU 49 2HD1 LEU 49 8.946 7.305 -1.257 363 HD13 LEU 49 3HD1 LEU 49 8.225 6.410 -2.595 364 HD21 LEU 49 3HD2 LEU 49 9.581 9.464 -1.603 365 HD22 LEU 49 1HD2 LEU 49 9.227 10.267 -3.133 366 HD23 LEU 49 2HD2 LEU 49 10.129 8.751 -3.122 367 H ARG 50 H ARG 50 7.561 11.653 -4.181 368 HA ARG 50 HA ARG 50 9.563 12.111 -6.295 369 HB2 ARG 50 2HB ARG 50 7.424 13.521 -6.304 370 HB3 ARG 50 3HB ARG 50 8.059 14.285 -4.852 371 HG2 ARG 50 2HG ARG 50 9.605 15.466 -5.986 372 HG3 ARG 50 3HG ARG 50 9.901 14.170 -7.147 373 HD2 ARG 50 2HD ARG 50 8.137 14.804 -8.501 374 HD3 ARG 50 3HD ARG 50 7.303 15.643 -7.194 375 HE ARG 50 HE ARG 50 9.806 16.853 -7.894 376 HH11 ARG 50 1HH1 ARG 50 6.423 16.649 -8.693 377 HH12 ARG 50 2HH1 ARG 50 6.371 18.212 -9.438 378 HH21 ARG 50 1HH2 ARG 50 9.750 18.913 -8.873 379 HH22 ARG 50 2HH2 ARG 50 8.264 19.499 -9.541 380 H LEU 51 H LEU 51 11.565 12.783 -5.724 381 HA LEU 51 HA LEU 51 12.076 13.708 -3.012 382 HB2 LEU 51 2HB LEU 51 13.973 12.076 -2.795 383 HB3 LEU 51 3HB LEU 51 12.353 11.393 -2.661 384 HG LEU 51 HG LEU 51 13.215 11.215 -5.380 385 HD11 LEU 51 1HD1 LEU 51 15.033 9.408 -4.574 386 HD12 LEU 51 2HD1 LEU 51 15.276 10.653 -3.349 387 HD13 LEU 51 3HD1 LEU 51 15.440 11.054 -5.059 388 HD21 LEU 51 3HD2 LEU 51 12.588 8.975 -5.143 389 HD22 LEU 51 1HD2 LEU 51 11.552 9.838 -4.007 390 HD23 LEU 51 2HD2 LEU 51 12.962 8.957 -3.419 391 H GLU 52 H GLU 52 14.175 14.674 -2.751 392 HA GLU 52 HA GLU 52 15.580 15.259 -5.264 393 HB2 GLU 52 2HB GLU 52 14.817 17.306 -3.173 394 HB3 GLU 52 3HB GLU 52 15.800 17.617 -4.596 395 HG2 GLU 52 2HG GLU 52 14.022 17.818 -5.918 396 HG3 GLU 52 3HG GLU 52 13.241 16.394 -5.235 397 H VAL 53 H VAL 53 17.771 15.383 -5.122 398 HA VAL 53 HA VAL 53 18.941 14.650 -2.540 399 HB VAL 53 HB VAL 53 20.176 14.614 -5.298 400 HG11 VAL 53 1HG1 VAL 53 21.935 14.895 -3.749 401 HG12 VAL 53 2HG1 VAL 53 21.209 13.766 -2.603 402 HG13 VAL 53 3HG1 VAL 53 21.893 13.171 -4.117 403 HG21 VAL 53 3HG2 VAL 53 18.630 12.894 -5.359 404 HG22 VAL 53 1HG2 VAL 53 20.073 12.071 -4.766 405 HG23 VAL 53 2HG2 VAL 53 18.800 12.540 -3.640 406 H PHE 54 H PHE 54 20.538 15.825 -1.545 407 HA PHE 54 HA PHE 54 21.272 18.396 -2.770 408 HB2 PHE 54 2HB PHE 54 20.760 18.115 0.184 409 HB3 PHE 54 3HB PHE 54 20.891 19.589 -0.769 410 HD1 PHE 54 HD1 PHE 54 19.096 19.417 -2.895 411 HD2 PHE 54 HD2 PHE 54 18.657 17.793 1.015 412 HE1 PHE 54 HE1 PHE 54 16.649 19.470 -3.151 413 HE2 PHE 54 HE2 PHE 54 16.210 17.842 0.764 414 HZ PHE 54 HZ PHE 54 15.203 18.681 -1.321 415 H GLN 55 H GLN 55 23.336 17.836 -3.308 416 HA GLN 55 HA GLN 55 25.107 16.249 -1.910 417 HB2 GLN 55 2HB GLN 55 25.619 16.946 -4.148 418 HB3 GLN 55 3HB GLN 55 25.635 18.640 -3.675 419 HG2 GLN 55 2HG GLN 55 27.526 16.954 -2.208 420 HG3 GLN 55 3HG GLN 55 27.832 17.071 -3.940 421 HE21 GLN 55 1HE2 GLN 55 29.768 18.192 -3.435 422 HE22 GLN 55 2HE2 GLN 55 29.734 19.866 -3.012 423 H HIS 56 H HIS 56 24.501 19.715 -1.554 424 HA HIS 56 HA HIS 56 26.314 19.772 0.755 425 HB2 HIS 56 2HB HIS 56 25.579 21.700 -1.302 426 HB3 HIS 56 3HB HIS 56 25.441 22.372 0.320 427 HD1 HIS 56 HD1 HIS 56 27.861 21.036 1.654 428 HD2 HIS 56 HD2 HIS 56 27.945 22.757 -2.127 429 HE1 HIS 56 HE1 HIS 56 30.273 21.609 1.229 430 H ASN 57 H ASN 57 25.533 21.378 2.512 431 HA ASN 57 HA ASN 57 22.819 20.556 3.250 432 HB2 ASN 57 2HB ASN 57 23.463 21.180 5.545 433 HB3 ASN 57 3HB ASN 57 24.581 20.007 4.855 434 HD21 ASN 57 1HD2 ASN 57 26.685 20.527 4.626 435 HD22 ASN 57 2HD2 ASN 57 27.369 22.039 5.106 436 H ASN 58 H ASN 58 21.572 22.189 4.577 437 HA ASN 58 HA ASN 58 20.482 24.180 4.729 438 HB2 ASN 58 2HB ASN 58 23.063 24.822 5.140 439 HB3 ASN 58 3HB ASN 58 22.764 25.762 3.681 440 HD21 ASN 58 1HD2 ASN 58 20.866 27.192 3.725 441 HD22 ASN 58 2HD2 ASN 58 20.465 27.972 5.213 442 H PHE 59 H PHE 59 20.739 22.653 2.148 443 HA PHE 59 HA PHE 59 20.128 22.832 -0.040 444 HB2 PHE 59 2HB PHE 59 18.491 24.912 1.356 445 HB3 PHE 59 3HB PHE 59 18.416 24.799 -0.399 446 HD1 PHE 59 HD2 PHE 59 18.238 22.578 2.594 447 HD2 PHE 59 HD1 PHE 59 16.803 23.453 -1.317 448 HE1 PHE 59 HE2 PHE 59 16.605 20.747 2.786 449 HE2 PHE 59 HE1 PHE 59 15.168 21.624 -1.130 450 HZ PHE 59 HZ PHE 59 15.068 20.268 0.923 451 H LYS 60 H LYS 60 22.585 23.707 0.111 452 HA LYS 60 HA LYS 60 22.705 26.368 -1.117 453 HB2 LYS 60 2HB LYS 60 24.193 26.102 0.757 454 HB3 LYS 60 3HB LYS 60 24.845 24.610 0.090 455 HG2 LYS 60 2HG LYS 60 25.135 26.810 -1.760 456 HG3 LYS 60 3HG LYS 60 25.884 27.162 -0.201 457 HD2 LYS 60 2HD LYS 60 26.768 24.663 -0.538 458 HD3 LYS 60 3HD LYS 60 26.579 25.119 -2.233 459 HE2 LYS 60 2HE LYS 60 28.703 25.861 -1.912 460 HE3 LYS 60 3HE LYS 60 27.837 27.300 -1.376 461 HZ1 LYS 60 3HZ LYS 60 28.065 26.570 0.900 462 HZ2 LYS 60 1HZ LYS 60 29.590 26.646 0.171 463 HZ3 LYS 60 2HZ LYS 60 28.840 25.149 0.409 464 H GLY 61 H GLY 61 24.716 23.462 -1.549 465 HA2 GLY 61 2HA GLY 61 25.382 23.943 -4.201 466 HA3 GLY 61 3HA GLY 61 25.394 22.358 -3.443 467 H VAL 62 H VAL 62 24.807 22.512 -6.079 468 HA VAL 62 HA VAL 62 22.191 22.905 -6.873 469 HB VAL 62 HB VAL 62 22.604 21.362 -8.700 470 HG11 VAL 62 1HG1 VAL 62 25.285 22.589 -8.352 471 HG12 VAL 62 2HG1 VAL 62 24.192 22.628 -9.736 472 HG13 VAL 62 3HG1 VAL 62 23.882 23.656 -8.337 473 HG21 VAL 62 3HG2 VAL 62 24.715 20.346 -6.868 474 HG22 VAL 62 1HG2 VAL 62 23.608 19.463 -7.920 475 HG23 VAL 62 2HG2 VAL 62 25.013 20.280 -8.605 476 H ARG 63 H ARG 63 20.381 21.559 -7.087 477 HA ARG 63 HA ARG 63 20.362 19.242 -5.266 478 HB2 ARG 63 2HB ARG 63 17.982 19.712 -4.877 479 HB3 ARG 63 3HB ARG 63 18.995 21.073 -4.416 480 HG2 ARG 63 2HG ARG 63 18.441 22.180 -6.540 481 HG3 ARG 63 3HG ARG 63 17.379 20.830 -6.944 482 HD2 ARG 63 2HD ARG 63 15.874 21.351 -5.231 483 HD3 ARG 63 3HD ARG 63 17.045 22.369 -4.392 484 HE ARG 63 HE ARG 63 16.618 23.551 -6.849 485 HH11 ARG 63 1HH1 ARG 63 14.714 22.715 -4.057 486 HH12 ARG 63 2HH1 ARG 63 13.588 24.014 -4.274 487 HH21 ARG 63 1HH2 ARG 63 15.143 25.265 -7.145 488 HH22 ARG 63 2HH2 ARG 63 13.833 25.464 -6.031 489 H ASP 64 H ASP 64 19.356 17.364 -5.920 490 HA ASP 64 HA ASP 64 18.758 17.208 -8.794 491 HB2 ASP 64 2HB ASP 64 20.557 15.745 -7.499 492 HB3 ASP 64 3HB ASP 64 19.144 14.759 -7.134 493 H PHE 65 H PHE 65 17.221 15.188 -9.198 494 HA PHE 65 HA PHE 65 15.069 15.002 -7.270 495 HB2 PHE 65 2HB PHE 65 13.341 15.734 -8.893 496 HB3 PHE 65 3HB PHE 65 14.436 17.034 -8.435 497 HD1 PHE 65 HD1 PHE 65 16.279 17.677 -10.018 498 HD2 PHE 65 HD2 PHE 65 13.086 15.091 -11.131 499 HE1 PHE 65 HE1 PHE 65 16.766 18.104 -12.392 500 HE2 PHE 65 HE2 PHE 65 13.568 15.513 -13.506 501 HZ PHE 65 HZ PHE 65 15.410 17.020 -14.139 502 H TYR 66 H TYR 66 14.559 12.926 -7.209 503 HA TYR 66 HA TYR 66 14.657 11.376 -9.714 504 HB2 TYR 66 2HB TYR 66 15.968 10.911 -7.179 505 HB3 TYR 66 3HB TYR 66 14.910 9.565 -7.588 506 HD1 TYR 66 HD2 TYR 66 15.107 8.947 -10.248 507 HD2 TYR 66 HD1 TYR 66 18.158 10.663 -7.829 508 HE1 TYR 66 HE2 TYR 66 16.813 8.068 -11.786 509 HE2 TYR 66 HE1 TYR 66 19.873 9.790 -9.361 510 HH TYR 66 HH TYR 66 19.004 7.740 -12.114 511 H THR 67 H THR 67 13.347 9.255 -9.435 512 HA THR 67 HA THR 67 11.147 9.172 -7.676 513 HB THR 67 HB THR 67 10.375 11.119 -8.969 514 HG1 THR 67 HG1 THR 67 8.517 10.218 -8.525 515 HG21 THR 67 3HG2 THR 67 11.359 9.619 -11.168 516 HG22 THR 67 1HG2 THR 67 10.675 11.243 -11.172 517 HG23 THR 67 2HG2 THR 67 9.626 9.845 -11.403 518 H SER 68 H SER 68 13.152 7.449 -8.880 519 HA SER 68 HA SER 68 11.548 5.172 -9.371 520 HB2 SER 68 2HB SER 68 12.160 6.766 -11.675 521 HB3 SER 68 3HB SER 68 13.012 5.227 -11.800 522 HG SER 68 HG SER 68 10.923 5.066 -12.671 523 H ASP 69 H ASP 69 12.989 3.296 -10.198 524 HA ASP 69 HA ASP 69 15.044 2.866 -8.408 525 HB2 ASP 69 2HB ASP 69 15.737 1.000 -9.896 526 HB3 ASP 69 3HB ASP 69 14.001 1.032 -9.599 527 H ALA 70 H ALA 70 16.822 4.053 -8.179 528 HA ALA 70 HA ALA 70 18.238 4.953 -10.600 529 HB1 ALA 70 1HB ALA 70 17.406 6.734 -9.082 530 HB2 ALA 70 2HB ALA 70 18.463 6.098 -7.821 531 HB3 ALA 70 3HB ALA 70 19.155 6.753 -9.305 532 H ALA 71 H ALA 71 19.805 3.544 -11.072 533 HA ALA 71 HA ALA 71 21.116 1.926 -9.126 534 HB1 ALA 71 1HB ALA 71 21.775 2.463 -12.018 535 HB2 ALA 71 2HB ALA 71 22.569 1.249 -11.015 536 HB3 ALA 71 3HB ALA 71 20.848 1.108 -11.374 537 H GLU 72 H GLU 72 21.749 5.037 -10.539 538 HA GLU 72 HA GLU 72 24.265 5.175 -9.011 539 HB2 GLU 72 2HB GLU 72 23.879 5.534 -11.800 540 HB3 GLU 72 3HB GLU 72 24.248 7.111 -11.116 541 HG2 GLU 72 2HG GLU 72 26.085 5.442 -9.916 542 HG3 GLU 72 3HG GLU 72 25.973 4.826 -11.564 543 H LEU 73 H LEU 73 24.210 6.607 -7.421 544 HA LEU 73 HA LEU 73 22.042 8.286 -6.889 545 HB2 LEU 73 2HB LEU 73 24.602 7.686 -5.716 546 HB3 LEU 73 3HB LEU 73 24.262 9.412 -5.607 547 HG LEU 73 HG LEU 73 23.589 8.020 -3.617 548 HD11 LEU 73 1HD1 LEU 73 21.206 9.365 -4.831 549 HD12 LEU 73 2HD1 LEU 73 22.634 10.292 -4.369 550 HD13 LEU 73 3HD1 LEU 73 21.754 9.364 -3.155 551 HD21 LEU 73 3HD2 LEU 73 22.454 6.384 -5.527 552 HD22 LEU 73 1HD2 LEU 73 21.070 7.222 -4.825 553 HD23 LEU 73 2HD2 LEU 73 22.168 6.310 -3.788 554 H SER 74 H SER 74 21.830 10.560 -6.949 555 HA SER 74 HA SER 74 22.468 11.799 -9.328 556 HB2 SER 74 2HB SER 74 21.973 13.156 -6.666 557 HB3 SER 74 3HB SER 74 21.817 13.906 -8.255 558 HG SER 74 HG SER 74 20.229 12.169 -8.665 559 H ARG 75 H ARG 75 24.325 11.617 -6.372 560 HA ARG 75 HA ARG 75 26.604 12.793 -7.781 561 HB2 ARG 75 2HB ARG 75 25.508 13.723 -5.132 562 HB3 ARG 75 3HB ARG 75 27.178 14.010 -5.604 563 HG2 ARG 75 2HG ARG 75 24.778 14.924 -7.174 564 HG3 ARG 75 3HG ARG 75 25.683 15.926 -6.037 565 HD2 ARG 75 2HD ARG 75 27.715 15.099 -7.541 566 HD3 ARG 75 3HD ARG 75 26.431 14.957 -8.740 567 HE ARG 75 HE ARG 75 26.178 17.461 -7.573 568 HH11 ARG 75 1HH1 ARG 75 28.508 15.716 -9.483 569 HH12 ARG 75 2HH1 ARG 75 29.144 17.138 -10.242 570 HH21 ARG 75 1HH2 ARG 75 27.008 19.340 -8.566 571 HH22 ARG 75 2HH2 ARG 75 28.291 19.198 -9.719 572 H ASP 76 H ASP 76 27.991 11.146 -7.811 573 HA ASP 76 HA ASP 76 28.070 8.969 -6.106 574 HB2 ASP 76 2HB ASP 76 30.528 8.812 -6.879 575 HB3 ASP 76 3HB ASP 76 29.267 8.734 -8.107 576 H ASN 77 H ASN 77 28.363 8.938 -3.983 577 HA ASN 77 HA ASN 77 29.076 9.471 -1.885 578 HB2 ASN 77 2HB ASN 77 31.573 9.726 -3.541 579 HB3 ASN 77 3HB ASN 77 31.607 10.036 -1.807 580 HD21 ASN 77 1HD2 ASN 77 32.183 8.370 -0.636 581 HD22 ASN 77 2HD2 ASN 77 31.926 6.706 -1.025 582 H ASP 78 H ASP 78 27.576 11.443 -2.543 583 HA ASP 78 HA ASP 78 28.649 13.707 -1.241 584 HB2 ASP 78 2HB ASP 78 28.839 13.633 -4.181 585 HB3 ASP 78 3HB ASP 78 28.106 15.095 -3.526 586 H ALA 79 H ALA 79 26.654 13.048 -0.156 587 HA ALA 79 HA ALA 79 24.372 14.509 -1.251 588 HB1 ALA 79 1HB ALA 79 23.804 11.848 -0.038 589 HB2 ALA 79 2HB ALA 79 22.872 12.776 -1.214 590 HB3 ALA 79 3HB ALA 79 24.333 11.927 -1.719 591 H SER 80 H SER 80 25.157 15.974 0.444 592 HA SER 80 HA SER 80 25.341 15.417 3.139 593 HB2 SER 80 2HB SER 80 24.605 17.870 1.592 594 HB3 SER 80 3HB SER 80 24.427 17.884 3.346 595 HG SER 80 HG SER 80 26.520 17.956 3.548 596 H SER 81 H SER 81 22.475 16.940 1.661 597 HA SER 81 HA SER 81 20.810 15.426 3.564 598 HB2 SER 81 2HB SER 81 20.847 17.720 4.305 599 HB3 SER 81 3HB SER 81 20.505 18.302 2.675 600 HG SER 81 HG SER 81 18.492 18.167 3.237 601 H VAL 82 H VAL 82 18.517 15.222 2.857 602 HA VAL 82 HA VAL 82 18.034 15.441 0.002 603 HB VAL 82 HB VAL 82 17.342 13.055 -0.189 604 HG11 VAL 82 1HG1 VAL 82 19.668 14.078 -0.773 605 HG12 VAL 82 2HG1 VAL 82 20.231 13.080 0.569 606 HG13 VAL 82 3HG1 VAL 82 19.439 12.330 -0.817 607 HG21 VAL 82 3HG2 VAL 82 18.136 11.442 1.450 608 HG22 VAL 82 1HG2 VAL 82 18.803 12.745 2.433 609 HG23 VAL 82 2HG2 VAL 82 17.058 12.612 2.211 610 H ARG 83 H ARG 83 15.791 14.892 -0.568 611 HA ARG 83 HA ARG 83 13.952 15.044 1.723 612 HB2 ARG 83 2HB ARG 83 14.454 17.178 0.091 613 HB3 ARG 83 3HB ARG 83 13.072 16.443 -0.711 614 HG2 ARG 83 2HG ARG 83 11.675 17.250 0.807 615 HG3 ARG 83 3HG ARG 83 12.638 16.589 2.130 616 HD2 ARG 83 2HD ARG 83 13.949 18.518 2.294 617 HD3 ARG 83 3HD ARG 83 13.472 19.085 0.694 618 HE ARG 83 HE ARG 83 11.140 19.102 2.031 619 HH11 ARG 83 1HH1 ARG 83 14.292 20.372 2.789 620 HH12 ARG 83 2HH1 ARG 83 13.678 21.687 3.735 621 HH21 ARG 83 1HH2 ARG 83 10.320 20.830 3.274 622 HH22 ARG 83 2HH2 ARG 83 11.419 21.947 4.011 623 H VAL 84 H VAL 84 12.161 13.792 1.596 624 HA VAL 84 HA VAL 84 11.553 12.479 -0.961 625 HB VAL 84 HB VAL 84 11.340 10.322 0.035 626 HG11 VAL 84 1HG1 VAL 84 13.642 11.192 -0.572 627 HG12 VAL 84 2HG1 VAL 84 13.908 11.410 1.158 628 HG13 VAL 84 3HG1 VAL 84 13.591 9.800 0.510 629 HG21 VAL 84 3HG2 VAL 84 10.498 10.462 2.143 630 HG22 VAL 84 1HG2 VAL 84 12.197 10.226 2.554 631 HG23 VAL 84 2HG2 VAL 84 11.502 11.847 2.572 632 H SER 85 H SER 85 9.421 12.207 -1.381 633 HA SER 85 HA SER 85 7.427 12.301 0.691 634 HB2 SER 85 2HB SER 85 7.506 14.555 -1.328 635 HB3 SER 85 3HB SER 85 6.286 14.311 -0.078 636 HG SER 85 HG SER 85 7.790 15.814 0.641 637 H LYS 86 H LYS 86 5.178 12.263 -0.304 638 HA LYS 86 HA LYS 86 5.231 10.379 -2.523 639 HB2 LYS 86 2HB LYS 86 3.494 10.899 -0.260 640 HB3 LYS 86 3HB LYS 86 2.574 10.785 -1.755 641 HG2 LYS 86 2HG LYS 86 2.577 8.597 -1.176 642 HG3 LYS 86 3HG LYS 86 4.092 8.635 -2.081 643 HD2 LYS 86 2HD LYS 86 4.736 7.551 -0.150 644 HD3 LYS 86 3HD LYS 86 5.130 9.227 0.242 645 HE2 LYS 86 2HE LYS 86 3.135 9.467 1.533 646 HE3 LYS 86 3HE LYS 86 2.523 7.909 0.979 647 HZ1 LYS 86 3HZ LYS 86 3.790 6.793 2.443 648 HZ2 LYS 86 1HZ LYS 86 3.789 8.257 3.291 649 HZ3 LYS 86 2HZ LYS 86 5.103 7.851 2.307 650 H MET 87 H MET 87 4.693 10.871 -4.551 651 HA MET 87 HA MET 87 3.643 13.556 -5.088 652 HB2 MET 87 2HB MET 87 5.775 12.272 -6.189 653 HB3 MET 87 3HB MET 87 4.517 11.889 -7.357 654 HG2 MET 87 2HG MET 87 4.043 14.472 -7.186 655 HG3 MET 87 3HG MET 87 5.722 14.509 -6.651 656 HE1 MET 87 3HE MET 87 4.159 14.234 -10.839 657 HE2 MET 87 1HE MET 87 3.425 13.091 -9.714 658 HE3 MET 87 2HE MET 87 3.399 14.818 -9.358 659 H GLU 88 H GLU 88 2.568 13.256 -7.569 660 HA GLU 88 HA GLU 88 0.641 12.723 -8.653 661 HB2 GLU 88 2HB GLU 88 1.704 10.237 -7.672 662 HB3 GLU 88 3HB GLU 88 -0.052 10.186 -7.633 663 HG2 GLU 88 2HG GLU 88 0.575 11.305 -10.101 664 HG3 GLU 88 3HG GLU 88 1.744 10.005 -9.875 665 H THR 89 H THR 89 0.695 13.753 -5.778 666 HA THR 89 HA THR 89 -1.937 12.889 -4.846 667 HB THR 89 HB THR 89 -0.861 14.938 -3.181 668 HG1 THR 89 HG1 THR 89 1.171 14.213 -2.777 669 HG21 THR 89 3HG2 THR 89 -0.959 11.960 -2.704 670 HG22 THR 89 1HG2 THR 89 -2.351 13.032 -2.554 671 HG23 THR 89 2HG2 THR 89 -0.961 13.237 -1.487 672 H THR 90 H THR 90 -3.723 14.046 -5.161 673 HA THR 90 HA THR 90 -5.128 15.705 -5.837 674 HB THR 90 HB THR 90 -3.106 17.767 -5.033 675 HG1 THR 90 HG1 THR 90 -3.006 16.917 -3.106 676 HG21 THR 90 3HG2 THR 90 -5.044 18.968 -4.264 677 HG22 THR 90 1HG2 THR 90 -6.076 17.563 -4.532 678 HG23 THR 90 2HG2 THR 90 -5.354 18.402 -5.905 679 H ASN 91 H ASN 91 -3.124 14.688 -7.720 680 HA ASN 91 HA ASN 91 -2.756 17.045 -9.442 681 HB2 ASN 91 2HB ASN 91 -0.720 15.707 -8.827 682 HB3 ASN 91 3HB ASN 91 -1.415 14.348 -9.707 683 HD21 ASN 91 1HD2 ASN 91 1.053 15.818 -10.184 684 HD22 ASN 91 2HD2 ASN 91 0.944 16.426 -11.798 Start of MODEL 19 1 H GLY 1 H GLY 1 1.416 1.628 -3.456 2 HA2 GLY 1 2HA GLY 1 3.092 -0.440 -3.955 3 HA3 GLY 1 3HA GLY 1 3.916 0.914 -4.714 4 H GLU 2 H GLU 2 5.100 2.268 -3.483 5 HA GLU 2 HA GLU 2 4.782 2.146 -0.569 6 HB2 GLU 2 2HB GLU 2 7.102 1.267 -2.140 7 HB3 GLU 2 3HB GLU 2 7.499 2.378 -0.836 8 HG2 GLU 2 2HG GLU 2 5.701 0.113 -0.201 9 HG3 GLU 2 3HG GLU 2 7.401 -0.247 -0.494 10 H LYS 3 H LYS 3 5.635 3.973 0.563 11 HA LYS 3 HA LYS 3 5.943 6.348 -1.154 12 HB2 LYS 3 2HB LYS 3 4.910 7.661 0.597 13 HB3 LYS 3 3HB LYS 3 3.858 6.314 0.185 14 HG2 LYS 3 2HG LYS 3 5.109 5.151 2.182 15 HG3 LYS 3 3HG LYS 3 5.413 6.821 2.667 16 HD2 LYS 3 2HD LYS 3 2.998 7.272 2.565 17 HD3 LYS 3 3HD LYS 3 2.712 5.588 2.121 18 HE2 LYS 3 2HE LYS 3 2.761 4.967 4.254 19 HE3 LYS 3 3HE LYS 3 4.341 5.716 4.479 20 HZ1 LYS 3 3HZ LYS 3 2.009 6.525 5.628 21 HZ2 LYS 3 1HZ LYS 3 2.223 7.637 4.371 22 HZ3 LYS 3 2HZ LYS 3 3.434 7.432 5.535 23 H THR 4 H THR 4 8.026 4.511 -0.125 24 HA THR 4 HA THR 4 9.698 6.557 1.137 25 HB THR 4 HB THR 4 10.635 4.972 2.737 26 HG1 THR 4 HG1 THR 4 8.586 3.149 1.995 27 HG21 THR 4 3HG2 THR 4 7.735 4.626 3.241 28 HG22 THR 4 1HG2 THR 4 8.317 6.277 3.032 29 HG23 THR 4 2HG2 THR 4 9.001 5.254 4.296 30 H VAL 5 H VAL 5 11.792 6.558 0.468 31 HA VAL 5 HA VAL 5 12.457 4.750 -1.722 32 HB VAL 5 HB VAL 5 12.798 7.151 -2.075 33 HG11 VAL 5 1HG1 VAL 5 13.897 8.518 -0.671 34 HG12 VAL 5 2HG1 VAL 5 13.614 7.241 0.514 35 HG13 VAL 5 3HG1 VAL 5 15.156 7.329 -0.338 36 HG21 VAL 5 3HG2 VAL 5 14.193 5.740 -3.372 37 HG22 VAL 5 1HG2 VAL 5 15.227 7.029 -2.754 38 HG23 VAL 5 2HG2 VAL 5 15.268 5.431 -2.009 39 H LYS 6 H LYS 6 13.833 3.107 -1.540 40 HA LYS 6 HA LYS 6 15.222 2.724 1.002 41 HB2 LYS 6 2HB LYS 6 14.979 0.778 -1.294 42 HB3 LYS 6 3HB LYS 6 15.467 0.421 0.357 43 HG2 LYS 6 2HG LYS 6 13.354 -0.147 0.725 44 HG3 LYS 6 3HG LYS 6 12.976 1.576 0.650 45 HD2 LYS 6 2HD LYS 6 12.733 1.278 -1.852 46 HD3 LYS 6 3HD LYS 6 12.804 -0.462 -1.561 47 HE2 LYS 6 2HE LYS 6 10.860 1.255 -0.065 48 HE3 LYS 6 3HE LYS 6 10.497 0.713 -1.703 49 HZ1 LYS 6 3HZ LYS 6 11.238 -1.579 -0.605 50 HZ2 LYS 6 1HZ LYS 6 9.638 -1.029 -0.587 51 HZ3 LYS 6 2HZ LYS 6 10.622 -0.811 0.771 52 H LEU 7 H LEU 7 17.144 3.723 1.049 53 HA LEU 7 HA LEU 7 18.780 4.052 -1.280 54 HB2 LEU 7 2HB LEU 7 19.802 4.401 1.504 55 HB3 LEU 7 3HB LEU 7 20.194 5.313 0.048 56 HG LEU 7 HG LEU 7 17.683 5.521 1.704 57 HD11 LEU 7 1HD1 LEU 7 19.761 7.607 1.087 58 HD12 LEU 7 2HD1 LEU 7 19.774 6.617 2.545 59 HD13 LEU 7 3HD1 LEU 7 18.428 7.713 2.236 60 HD21 LEU 7 3HD2 LEU 7 17.573 7.573 -0.064 61 HD22 LEU 7 1HD2 LEU 7 16.714 6.044 -0.254 62 HD23 LEU 7 2HD2 LEU 7 18.258 6.295 -1.070 63 H TYR 8 H TYR 8 20.371 2.790 -2.017 64 HA TYR 8 HA TYR 8 21.148 0.471 -0.375 65 HB2 TYR 8 2HB TYR 8 20.328 0.716 -3.142 66 HB3 TYR 8 3HB TYR 8 21.917 -0.031 -3.021 67 HD1 TYR 8 HD1 TYR 8 22.156 -2.036 -1.429 68 HD2 TYR 8 HD2 TYR 8 18.401 -0.550 -2.770 69 HE1 TYR 8 HE1 TYR 8 21.107 -4.186 -0.857 70 HE2 TYR 8 HE2 TYR 8 17.342 -2.695 -2.201 71 HH TYR 8 HH TYR 8 19.249 -5.406 -0.931 72 H GLU 9 H GLU 9 23.264 0.069 0.017 73 HA GLU 9 HA GLU 9 25.133 2.188 -0.368 74 HB2 GLU 9 2HB GLU 9 26.636 0.908 0.927 75 HB3 GLU 9 3HB GLU 9 25.044 0.564 1.589 76 HG2 GLU 9 2HG GLU 9 25.219 -1.422 -0.200 77 HG3 GLU 9 3HG GLU 9 26.929 -1.198 0.165 78 H ASP 10 H ASP 10 24.259 -0.589 -2.176 79 HA ASP 10 HA ASP 10 26.722 -0.436 -3.771 80 HB2 ASP 10 2HB ASP 10 25.183 -2.621 -2.856 81 HB3 ASP 10 3HB ASP 10 24.961 -2.553 -4.602 82 H THR 11 H THR 11 26.118 -1.175 -6.190 83 HA THR 11 HA THR 11 24.230 0.870 -7.121 84 HB THR 11 HB THR 11 25.348 0.616 -9.325 85 HG1 THR 11 HG1 THR 11 27.457 -0.555 -9.143 86 HG21 THR 11 3HG2 THR 11 27.296 1.151 -7.082 87 HG22 THR 11 1HG2 THR 11 26.094 2.304 -7.660 88 HG23 THR 11 2HG2 THR 11 27.387 1.765 -8.732 89 H HIS 12 H HIS 12 24.765 -2.541 -7.021 90 HA HIS 12 HA HIS 12 22.442 -2.957 -8.787 91 HB2 HIS 12 2HB HIS 12 24.796 -3.915 -9.402 92 HB3 HIS 12 3HB HIS 12 24.423 -5.126 -8.178 93 HD1 HIS 12 HD1 HIS 12 22.864 -3.720 -11.349 94 HD2 HIS 12 HD2 HIS 12 23.007 -7.229 -9.130 95 HE1 HIS 12 HE1 HIS 12 21.605 -5.423 -12.704 96 H PHE 13 H PHE 13 22.317 -2.343 -5.972 97 HA PHE 13 HA PHE 13 21.354 -3.051 -4.032 98 HB2 PHE 13 2HB PHE 13 19.938 -5.095 -5.740 99 HB3 PHE 13 3HB PHE 13 19.359 -4.331 -4.264 100 HD1 PHE 13 HD2 PHE 13 19.926 -1.507 -4.771 101 HD2 PHE 13 HD1 PHE 13 18.416 -4.513 -7.379 102 HE1 PHE 13 HE2 PHE 13 18.801 0.224 -6.110 103 HE2 PHE 13 HE1 PHE 13 17.290 -2.786 -8.723 104 HZ PHE 13 HZ PHE 13 17.481 -0.414 -8.088 105 H LYS 14 H LYS 14 23.795 -4.025 -4.086 106 HA LYS 14 HA LYS 14 23.577 -6.890 -3.446 107 HB2 LYS 14 2HB LYS 14 25.237 -5.930 -5.236 108 HB3 LYS 14 3HB LYS 14 26.200 -5.494 -3.830 109 HG2 LYS 14 2HG LYS 14 27.042 -7.562 -4.452 110 HG3 LYS 14 3HG LYS 14 25.933 -7.950 -3.135 111 HD2 LYS 14 2HD LYS 14 25.418 -9.540 -4.755 112 HD3 LYS 14 3HD LYS 14 24.188 -8.299 -5.002 113 HE2 LYS 14 2HE LYS 14 24.902 -7.892 -7.074 114 HE3 LYS 14 3HE LYS 14 26.576 -7.751 -6.541 115 HZ1 LYS 14 3HZ LYS 14 25.413 -9.825 -7.987 116 HZ2 LYS 14 1HZ LYS 14 25.810 -10.455 -6.467 117 HZ3 LYS 14 2HZ LYS 14 27.002 -9.722 -7.417 118 H GLY 15 H GLY 15 22.579 -5.617 -1.441 119 HA2 GLY 15 2HA GLY 15 24.214 -6.169 0.752 120 HA3 GLY 15 3HA GLY 15 24.354 -4.448 0.423 121 H TYR 16 H TYR 16 23.211 -3.449 1.953 122 HA TYR 16 HA TYR 16 20.510 -4.461 2.549 123 HB2 TYR 16 2HB TYR 16 20.689 -3.544 4.733 124 HB3 TYR 16 3HB TYR 16 22.210 -4.376 4.430 125 HD1 TYR 16 HD1 TYR 16 20.596 -1.092 4.777 126 HD2 TYR 16 HD2 TYR 16 24.279 -3.155 4.247 127 HE1 TYR 16 HE1 TYR 16 21.823 0.971 5.315 128 HE2 TYR 16 HE2 TYR 16 25.516 -1.098 4.784 129 HH TYR 16 HH TYR 16 24.398 1.370 6.329 130 H SER 17 H SER 17 18.802 -2.957 2.789 131 HA SER 17 HA SER 17 19.296 -0.361 1.482 132 HB2 SER 17 2HB SER 17 16.565 -1.026 1.188 133 HB3 SER 17 3HB SER 17 17.796 -0.953 -0.072 134 HG SER 17 HG SER 17 18.280 -3.208 0.926 135 H VAL 18 H VAL 18 18.337 1.448 2.336 136 HA VAL 18 HA VAL 18 16.919 1.077 4.895 137 HB VAL 18 HB VAL 18 19.082 2.029 5.343 138 HG11 VAL 18 1HG1 VAL 18 20.144 3.308 3.874 139 HG12 VAL 18 2HG1 VAL 18 18.710 3.304 2.845 140 HG13 VAL 18 3HG1 VAL 18 18.923 4.566 4.060 141 HG21 VAL 18 3HG2 VAL 18 17.106 2.906 6.575 142 HG22 VAL 18 1HG2 VAL 18 18.449 4.046 6.484 143 HG23 VAL 18 2HG2 VAL 18 17.046 4.252 5.436 144 H GLU 19 H GLU 19 14.862 1.663 4.782 145 HA GLU 19 HA GLU 19 14.084 3.739 2.848 146 HB2 GLU 19 2HB GLU 19 11.928 2.755 2.741 147 HB3 GLU 19 3HB GLU 19 13.075 1.426 2.649 148 HG2 GLU 19 2HG GLU 19 12.636 1.571 5.325 149 HG3 GLU 19 3HG GLU 19 11.066 2.046 4.682 150 H LEU 20 H LEU 20 12.711 5.415 3.471 151 HA LEU 20 HA LEU 20 12.034 5.663 6.300 152 HB2 LEU 20 2HB LEU 20 12.887 8.192 5.785 153 HB3 LEU 20 3HB LEU 20 13.811 6.967 6.652 154 HG LEU 20 HG LEU 20 14.109 7.086 3.698 155 HD11 LEU 20 1HD1 LEU 20 15.122 9.170 5.605 156 HD12 LEU 20 2HD1 LEU 20 14.282 9.393 4.071 157 HD13 LEU 20 3HD1 LEU 20 15.945 8.807 4.088 158 HD21 LEU 20 3HD2 LEU 20 15.306 5.710 5.778 159 HD22 LEU 20 1HD2 LEU 20 16.477 6.963 5.368 160 HD23 LEU 20 2HD2 LEU 20 15.910 5.846 4.126 161 HA PRO 21 HA PRO 21 8.326 7.422 4.731 162 HB2 PRO 21 2HB PRO 21 7.588 8.963 6.841 163 HB3 PRO 21 3HB PRO 21 7.480 7.199 6.855 164 HG2 PRO 21 2HG PRO 21 9.586 8.977 8.022 165 HG3 PRO 21 3HG PRO 21 8.823 7.538 8.723 166 HD2 PRO 21 2HD PRO 21 11.275 7.474 7.577 167 HD3 PRO 21 3HD PRO 21 10.162 6.091 7.529 168 H VAL 22 H VAL 22 7.235 9.534 4.338 169 HA VAL 22 HA VAL 22 8.779 11.301 2.917 170 HB VAL 22 HB VAL 22 6.373 11.298 2.697 171 HG11 VAL 22 1HG1 VAL 22 6.282 12.507 5.459 172 HG12 VAL 22 2HG1 VAL 22 4.900 12.209 4.402 173 HG13 VAL 22 3HG1 VAL 22 5.826 10.854 5.050 174 HG21 VAL 22 3HG2 VAL 22 7.391 13.961 3.687 175 HG22 VAL 22 1HG2 VAL 22 7.530 13.332 2.045 176 HG23 VAL 22 2HG2 VAL 22 5.943 13.719 2.709 177 H GLY 23 H GLY 23 9.751 13.281 3.297 178 HA2 GLY 23 2HA GLY 23 9.783 15.098 5.159 179 HA3 GLY 23 3HA GLY 23 10.436 13.773 6.110 180 H ASP 24 H ASP 24 11.949 15.963 5.947 181 HA ASP 24 HA ASP 24 13.968 15.382 3.884 182 HB2 ASP 24 2HB ASP 24 14.796 17.748 4.748 183 HB3 ASP 24 3HB ASP 24 13.514 17.608 3.547 184 H TYR 25 H TYR 25 16.080 15.013 4.442 185 HA TYR 25 HA TYR 25 16.708 14.930 7.316 186 HB2 TYR 25 2HB TYR 25 17.657 12.847 5.350 187 HB3 TYR 25 3HB TYR 25 17.771 12.808 7.106 188 HD1 TYR 25 HD2 TYR 25 15.279 12.835 4.337 189 HD2 TYR 25 HD1 TYR 25 16.135 11.711 8.350 190 HE1 TYR 25 HE2 TYR 25 13.152 11.604 4.440 191 HE2 TYR 25 HE1 TYR 25 14.011 10.476 8.464 192 HH TYR 25 HH TYR 25 11.892 10.354 7.399 193 H ASN 26 H ASN 26 18.716 15.610 7.895 194 HA ASN 26 HA ASN 26 20.320 16.842 5.786 195 HB2 ASN 26 2HB ASN 26 20.892 17.120 8.720 196 HB3 ASN 26 3HB ASN 26 21.208 18.260 7.415 197 HD21 ASN 26 1HD2 ASN 26 19.652 18.277 10.050 198 HD22 ASN 26 2HD2 ASN 26 18.144 19.001 9.618 199 H LEU 27 H LEU 27 22.800 16.922 6.930 200 HA LEU 27 HA LEU 27 23.915 14.467 6.188 201 HB2 LEU 27 2HB LEU 27 25.396 16.222 6.058 202 HB3 LEU 27 3HB LEU 27 24.911 16.883 7.618 203 HG LEU 27 HG LEU 27 26.323 14.273 7.629 204 HD11 LEU 27 1HD1 LEU 27 27.792 16.870 7.212 205 HD12 LEU 27 2HD1 LEU 27 27.552 15.649 5.963 206 HD13 LEU 27 3HD1 LEU 27 28.493 15.263 7.404 207 HD21 LEU 27 3HD2 LEU 27 25.934 16.627 9.383 208 HD22 LEU 27 1HD2 LEU 27 27.464 15.761 9.524 209 HD23 LEU 27 2HD2 LEU 27 25.941 14.906 9.773 210 H SER 28 H SER 28 23.332 15.824 9.422 211 HA SER 28 HA SER 28 24.338 13.581 10.831 212 HB2 SER 28 2HB SER 28 23.202 16.134 11.475 213 HB3 SER 28 3HB SER 28 22.402 14.891 12.437 214 HG SER 28 HG SER 28 24.743 14.170 12.758 215 H SER 29 H SER 29 21.128 14.497 9.703 216 HA SER 29 HA SER 29 19.649 12.530 11.048 217 HB2 SER 29 2HB SER 29 19.046 13.719 8.331 218 HB3 SER 29 3HB SER 29 17.890 12.970 9.433 219 HG SER 29 HG SER 29 17.721 15.133 9.772 220 H LEU 30 H LEU 30 21.624 12.392 8.188 221 HA LEU 30 HA LEU 30 20.608 9.991 7.099 222 HB2 LEU 30 2HB LEU 30 23.235 11.421 6.852 223 HB3 LEU 30 3HB LEU 30 22.941 9.882 6.045 224 HG LEU 30 HG LEU 30 21.220 12.314 5.608 225 HD11 LEU 30 1HD1 LEU 30 22.495 12.615 3.510 226 HD12 LEU 30 2HD1 LEU 30 23.651 11.408 4.074 227 HD13 LEU 30 3HD1 LEU 30 23.455 12.922 4.957 228 HD21 LEU 30 3HD2 LEU 30 21.412 10.519 3.402 229 HD22 LEU 30 1HD2 LEU 30 19.995 10.953 4.359 230 HD23 LEU 30 2HD2 LEU 30 21.011 9.599 4.853 231 H ILE 31 H ILE 31 23.426 10.620 9.182 232 HA ILE 31 HA ILE 31 24.266 7.968 9.456 233 HB ILE 31 HB ILE 31 24.537 10.257 11.408 234 HG12 ILE 31 2HG1 ILE 31 27.004 9.695 10.268 235 HG13 ILE 31 3HG1 ILE 31 25.881 9.519 8.925 236 HG21 ILE 31 1HG2 ILE 31 25.110 8.595 12.821 237 HG22 ILE 31 2HG2 ILE 31 25.423 7.450 11.517 238 HG23 ILE 31 3HG2 ILE 31 26.637 8.657 11.940 239 HD11 ILE 31 3HD1 ILE 31 26.053 11.715 8.681 240 HD12 ILE 31 1HD1 ILE 31 25.070 11.854 10.138 241 HD13 ILE 31 2HD1 ILE 31 26.829 11.908 10.253 242 H SER 32 H SER 32 21.708 9.737 11.029 243 HA SER 32 HA SER 32 21.298 8.157 13.287 244 HB2 SER 32 2HB SER 32 18.919 9.223 11.835 245 HB3 SER 32 3HB SER 32 19.315 9.299 13.552 246 HG SER 32 HG SER 32 20.551 11.030 13.212 247 H ARG 33 H ARG 33 20.674 7.503 9.958 248 HA ARG 33 HA ARG 33 19.003 5.189 10.625 249 HB2 ARG 33 2HB ARG 33 18.946 7.044 8.516 250 HB3 ARG 33 3HB ARG 33 19.488 5.532 7.800 251 HG2 ARG 33 2HG ARG 33 17.178 5.459 7.578 252 HG3 ARG 33 3HG ARG 33 17.492 4.470 9.005 253 HD2 ARG 33 2HD ARG 33 17.203 6.924 10.125 254 HD3 ARG 33 3HD ARG 33 16.102 7.048 8.753 255 HE ARG 33 HE ARG 33 15.554 4.632 9.979 256 HH11 ARG 33 1HH1 ARG 33 15.480 8.008 10.826 257 HH12 ARG 33 2HH1 ARG 33 14.186 7.828 11.965 258 HH21 ARG 33 1HH2 ARG 33 13.850 4.382 11.475 259 HH22 ARG 33 2HH2 ARG 33 13.261 5.765 12.334 260 H GLY 34 H GLY 34 22.192 6.050 9.697 261 HA2 GLY 34 2HA GLY 34 23.882 4.307 10.093 262 HA3 GLY 34 3HA GLY 34 22.809 3.194 9.256 263 H ALA 35 H ALA 35 23.605 6.497 8.295 264 HA ALA 35 HA ALA 35 25.402 5.581 6.216 265 HB1 ALA 35 1HB ALA 35 23.487 5.205 4.954 266 HB2 ALA 35 2HB ALA 35 22.653 6.610 5.619 267 HB3 ALA 35 3HB ALA 35 23.975 6.830 4.473 268 H LEU 36 H LEU 36 26.901 7.084 5.771 269 HA LEU 36 HA LEU 36 26.696 9.655 7.110 270 HB2 LEU 36 2HB LEU 36 29.053 9.921 6.452 271 HB3 LEU 36 3HB LEU 36 28.755 8.447 7.372 272 HG LEU 36 HG LEU 36 28.559 7.722 4.666 273 HD11 LEU 36 1HD1 LEU 36 31.082 8.425 4.198 274 HD12 LEU 36 2HD1 LEU 36 30.588 9.824 5.151 275 HD13 LEU 36 3HD1 LEU 36 29.712 9.407 3.678 276 HD21 LEU 36 3HD2 LEU 36 29.460 6.515 6.739 277 HD22 LEU 36 1HD2 LEU 36 30.987 7.322 6.382 278 HD23 LEU 36 2HD2 LEU 36 30.271 6.226 5.200 279 H ASN 37 H ASN 37 27.401 11.635 5.958 280 HA ASN 37 HA ASN 37 25.782 12.252 3.816 281 HB2 ASN 37 2HB ASN 37 27.280 14.223 3.468 282 HB3 ASN 37 3HB ASN 37 26.788 13.997 5.144 283 HD21 ASN 37 1HD2 ASN 37 28.304 13.156 6.633 284 HD22 ASN 37 2HD2 ASN 37 30.002 13.294 6.341 285 H ASP 38 H ASP 38 25.875 12.035 1.659 286 HA ASP 38 HA ASP 38 26.491 11.009 -0.303 287 HB2 ASP 38 2HB ASP 38 28.649 11.926 -1.193 288 HB3 ASP 38 3HB ASP 38 27.540 13.152 -0.585 289 H ASP 39 H ASP 39 26.522 8.832 0.345 290 HA ASP 39 HA ASP 39 29.168 7.637 0.258 291 HB2 ASP 39 2HB ASP 39 29.052 7.732 2.595 292 HB3 ASP 39 3HB ASP 39 27.319 7.415 2.615 293 H LEU 40 H LEU 40 25.673 7.243 0.337 294 HA LEU 40 HA LEU 40 25.416 4.576 -0.318 295 HB2 LEU 40 2HB LEU 40 23.790 7.005 -0.895 296 HB3 LEU 40 3HB LEU 40 23.355 5.485 -1.674 297 HG LEU 40 HG LEU 40 22.055 5.964 0.379 298 HD11 LEU 40 1HD1 LEU 40 22.481 3.727 1.448 299 HD12 LEU 40 2HD1 LEU 40 23.834 3.538 0.333 300 HD13 LEU 40 3HD1 LEU 40 22.192 3.695 -0.292 301 HD21 LEU 40 3HD2 LEU 40 23.047 5.941 2.527 302 HD22 LEU 40 1HD2 LEU 40 23.996 7.068 1.556 303 HD23 LEU 40 2HD2 LEU 40 24.612 5.448 1.879 304 H SER 41 H SER 41 24.523 3.815 -2.536 305 HA SER 41 HA SER 41 26.267 4.863 -4.667 306 HB2 SER 41 2HB SER 41 25.684 2.011 -3.891 307 HB3 SER 41 3HB SER 41 26.249 2.427 -5.508 308 HG SER 41 HG SER 41 28.123 2.199 -4.532 309 H SER 42 H SER 42 23.203 3.382 -3.809 310 HA SER 42 HA SER 42 22.038 4.468 -6.259 311 HB2 SER 42 2HB SER 42 21.024 2.450 -6.948 312 HB3 SER 42 3HB SER 42 22.680 1.995 -6.550 313 HG SER 42 HG SER 42 21.997 0.970 -4.783 314 H ALA 43 H ALA 43 19.555 4.117 -6.174 315 HA ALA 43 HA ALA 43 18.512 4.169 -3.448 316 HB1 ALA 43 1HB ALA 43 18.930 6.470 -3.712 317 HB2 ALA 43 2HB ALA 43 18.332 6.470 -5.372 318 HB3 ALA 43 3HB ALA 43 17.207 6.266 -4.029 319 H ARG 44 H ARG 44 16.587 3.191 -3.297 320 HA ARG 44 HA ARG 44 15.307 2.311 -5.771 321 HB2 ARG 44 2HB ARG 44 15.791 1.085 -3.290 322 HB3 ARG 44 3HB ARG 44 14.051 1.327 -3.366 323 HG2 ARG 44 2HG ARG 44 14.065 0.205 -5.592 324 HG3 ARG 44 3HG ARG 44 15.770 -0.168 -5.329 325 HD2 ARG 44 2HD ARG 44 15.313 -1.638 -3.598 326 HD3 ARG 44 3HD ARG 44 13.736 -0.920 -3.272 327 HE ARG 44 HE ARG 44 13.516 -1.967 -5.787 328 HH11 ARG 44 1HH1 ARG 44 14.378 -3.217 -2.654 329 HH12 ARG 44 2HH1 ARG 44 13.774 -4.808 -2.979 330 HH21 ARG 44 1HH2 ARG 44 12.718 -4.058 -6.227 331 HH22 ARG 44 2HH2 ARG 44 12.832 -5.286 -5.011 332 H VAL 45 H VAL 45 13.989 3.873 -6.531 333 HA VAL 45 HA VAL 45 11.832 4.778 -4.749 334 HB VAL 45 HB VAL 45 13.267 6.674 -4.876 335 HG11 VAL 45 1HG1 VAL 45 13.373 7.352 -7.609 336 HG12 VAL 45 2HG1 VAL 45 14.709 6.893 -6.551 337 HG13 VAL 45 3HG1 VAL 45 13.857 5.662 -7.484 338 HG21 VAL 45 3HG2 VAL 45 11.661 8.172 -5.365 339 HG22 VAL 45 1HG2 VAL 45 11.449 7.559 -7.005 340 HG23 VAL 45 2HG2 VAL 45 10.665 6.745 -5.651 341 HA PRO 46 HA PRO 46 10.013 2.910 -8.533 342 HB2 PRO 46 2HB PRO 46 7.871 1.861 -7.236 343 HB3 PRO 46 3HB PRO 46 9.435 1.041 -7.328 344 HG2 PRO 46 2HG PRO 46 8.280 2.675 -5.100 345 HG3 PRO 46 3HG PRO 46 9.163 1.139 -5.020 346 HD2 PRO 46 2HD PRO 46 10.336 3.522 -4.494 347 HD3 PRO 46 3HD PRO 46 11.218 2.165 -5.222 348 H SER 47 H SER 47 7.741 3.158 -9.387 349 HA SER 47 HA SER 47 7.021 5.808 -9.606 350 HB2 SER 47 2HB SER 47 5.945 3.272 -10.455 351 HB3 SER 47 3HB SER 47 4.636 4.349 -9.971 352 HG SER 47 HG SER 47 4.990 5.508 -11.684 353 H GLY 48 H GLY 48 5.370 7.094 -8.735 354 HA2 GLY 48 2HA GLY 48 3.760 7.746 -7.191 355 HA3 GLY 48 3HA GLY 48 3.783 6.121 -6.523 356 H LEU 49 H LEU 49 6.564 8.250 -6.949 357 HA LEU 49 HA LEU 49 6.629 9.083 -4.214 358 HB2 LEU 49 2HB LEU 49 7.381 6.644 -4.212 359 HB3 LEU 49 3HB LEU 49 8.825 7.210 -5.049 360 HG LEU 49 HG LEU 49 8.001 8.318 -2.380 361 HD11 LEU 49 1HD1 LEU 49 9.838 5.980 -2.871 362 HD12 LEU 49 2HD1 LEU 49 8.215 5.873 -2.192 363 HD13 LEU 49 3HD1 LEU 49 9.481 6.732 -1.317 364 HD21 LEU 49 3HD2 LEU 49 10.780 8.221 -2.723 365 HD22 LEU 49 1HD2 LEU 49 9.739 9.644 -2.760 366 HD23 LEU 49 2HD2 LEU 49 10.122 8.792 -4.257 367 H ARG 50 H ARG 50 7.932 10.827 -3.943 368 HA ARG 50 HA ARG 50 9.733 11.519 -6.169 369 HB2 ARG 50 2HB ARG 50 7.593 12.855 -6.100 370 HB3 ARG 50 3HB ARG 50 8.128 13.501 -4.554 371 HG2 ARG 50 2HG ARG 50 9.966 14.608 -5.546 372 HG3 ARG 50 3HG ARG 50 9.751 13.744 -7.070 373 HD2 ARG 50 2HD ARG 50 7.630 14.877 -7.433 374 HD3 ARG 50 3HD ARG 50 7.788 15.702 -5.883 375 HE ARG 50 HE ARG 50 9.146 17.224 -6.900 376 HH11 ARG 50 1HH1 ARG 50 9.086 14.327 -8.830 377 HH12 ARG 50 2HH1 ARG 50 10.026 15.009 -10.116 378 HH21 ARG 50 1HH2 ARG 50 10.384 18.132 -8.586 379 HH22 ARG 50 2HH2 ARG 50 10.764 17.173 -9.976 380 H LEU 51 H LEU 51 11.770 11.928 -5.606 381 HA LEU 51 HA LEU 51 12.340 12.692 -2.823 382 HB2 LEU 51 2HB LEU 51 14.151 11.198 -2.678 383 HB3 LEU 51 3HB LEU 51 12.799 10.267 -3.319 384 HG LEU 51 HG LEU 51 14.059 11.057 -5.606 385 HD11 LEU 51 1HD1 LEU 51 16.485 10.330 -5.046 386 HD12 LEU 51 2HD1 LEU 51 16.079 10.857 -3.413 387 HD13 LEU 51 3HD1 LEU 51 15.988 11.997 -4.755 388 HD21 LEU 51 3HD2 LEU 51 13.592 8.866 -5.700 389 HD22 LEU 51 1HD2 LEU 51 13.877 8.630 -3.976 390 HD23 LEU 51 2HD2 LEU 51 15.237 8.654 -5.098 391 H GLU 52 H GLU 52 14.122 14.042 -2.503 392 HA GLU 52 HA GLU 52 15.286 15.190 -4.954 393 HB2 GLU 52 2HB GLU 52 14.296 16.582 -2.472 394 HB3 GLU 52 3HB GLU 52 15.408 17.351 -3.595 395 HG2 GLU 52 2HG GLU 52 13.820 17.302 -5.347 396 HG3 GLU 52 3HG GLU 52 12.754 16.230 -4.440 397 H VAL 53 H VAL 53 17.424 16.036 -4.771 398 HA VAL 53 HA VAL 53 18.937 14.929 -2.495 399 HB VAL 53 HB VAL 53 19.989 15.274 -5.303 400 HG11 VAL 53 1HG1 VAL 53 21.649 13.531 -4.265 401 HG12 VAL 53 2HG1 VAL 53 21.856 15.258 -3.963 402 HG13 VAL 53 3HG1 VAL 53 21.104 14.232 -2.741 403 HG21 VAL 53 3HG2 VAL 53 18.348 13.173 -4.150 404 HG22 VAL 53 1HG2 VAL 53 18.798 13.463 -5.830 405 HG23 VAL 53 2HG2 VAL 53 19.883 12.564 -4.768 406 H PHE 54 H PHE 54 20.492 16.189 -1.553 407 HA PHE 54 HA PHE 54 20.966 18.857 -2.680 408 HB2 PHE 54 2HB PHE 54 20.505 18.453 0.270 409 HB3 PHE 54 3HB PHE 54 20.542 19.965 -0.632 410 HD1 PHE 54 HD1 PHE 54 18.736 19.875 -2.697 411 HD2 PHE 54 HD2 PHE 54 18.439 17.863 1.042 412 HE1 PHE 54 HE1 PHE 54 16.289 19.791 -2.940 413 HE2 PHE 54 HE2 PHE 54 15.992 17.775 0.804 414 HZ PHE 54 HZ PHE 54 14.914 18.739 -1.189 415 H GLN 55 H GLN 55 23.059 18.496 -3.247 416 HA GLN 55 HA GLN 55 24.969 16.982 -1.988 417 HB2 GLN 55 2HB GLN 55 25.073 18.321 -4.207 418 HB3 GLN 55 3HB GLN 55 25.695 19.629 -3.209 419 HG2 GLN 55 2HG GLN 55 27.530 18.198 -2.473 420 HG3 GLN 55 3HG GLN 55 26.907 16.886 -3.473 421 HE21 GLN 55 1HE2 GLN 55 29.480 17.848 -3.745 422 HE22 GLN 55 2HE2 GLN 55 29.632 18.637 -5.275 423 H HIS 56 H HIS 56 24.659 20.519 -1.607 424 HA HIS 56 HA HIS 56 26.133 20.331 0.913 425 HB2 HIS 56 2HB HIS 56 25.697 22.427 -1.112 426 HB3 HIS 56 3HB HIS 56 25.684 22.996 0.555 427 HD1 HIS 56 HD1 HIS 56 27.918 24.234 0.310 428 HD2 HIS 56 HD2 HIS 56 28.163 20.165 -0.492 429 HE1 HIS 56 HE1 HIS 56 30.377 23.712 0.226 430 H ASN 57 H ASN 57 25.291 20.909 2.873 431 HA ASN 57 HA ASN 57 22.489 20.691 3.219 432 HB2 ASN 57 2HB ASN 57 23.034 21.348 5.612 433 HB3 ASN 57 3HB ASN 57 23.864 19.921 4.999 434 HD21 ASN 57 1HD2 ASN 57 25.574 20.066 6.395 435 HD22 ASN 57 2HD2 ASN 57 26.762 21.317 6.305 436 H ASN 58 H ASN 58 21.274 22.353 4.597 437 HA ASN 58 HA ASN 58 20.309 24.405 4.778 438 HB2 ASN 58 2HB ASN 58 23.050 24.853 5.069 439 HB3 ASN 58 3HB ASN 58 22.525 26.062 3.901 440 HD21 ASN 58 1HD2 ASN 58 21.813 24.719 7.081 441 HD22 ASN 58 2HD2 ASN 58 21.166 26.176 7.749 442 H PHE 59 H PHE 59 20.629 22.947 2.142 443 HA PHE 59 HA PHE 59 20.130 23.238 -0.062 444 HB2 PHE 59 2HB PHE 59 18.490 25.282 1.368 445 HB3 PHE 59 3HB PHE 59 18.524 25.322 -0.392 446 HD1 PHE 59 HD1 PHE 59 18.552 22.424 1.940 447 HD2 PHE 59 HD2 PHE 59 16.453 24.564 -1.082 448 HE1 PHE 59 HE1 PHE 59 16.848 20.650 1.872 449 HE2 PHE 59 HE2 PHE 59 14.745 22.794 -1.154 450 HZ PHE 59 HZ PHE 59 14.941 20.834 0.324 451 H LYS 60 H LYS 60 22.602 23.994 0.206 452 HA LYS 60 HA LYS 60 23.415 26.592 -0.160 453 HB2 LYS 60 2HB LYS 60 25.034 24.843 0.138 454 HB3 LYS 60 3HB LYS 60 24.530 24.050 -1.349 455 HG2 LYS 60 2HG LYS 60 25.336 26.761 -1.872 456 HG3 LYS 60 3HG LYS 60 26.606 25.880 -1.020 457 HD2 LYS 60 2HD LYS 60 26.458 24.085 -2.697 458 HD3 LYS 60 3HD LYS 60 25.224 25.008 -3.559 459 HE2 LYS 60 2HE LYS 60 26.735 26.387 -4.483 460 HE3 LYS 60 3HE LYS 60 27.669 26.515 -2.994 461 HZ1 LYS 60 3HZ LYS 60 28.552 25.268 -5.157 462 HZ2 LYS 60 1HZ LYS 60 27.804 23.963 -4.382 463 HZ3 LYS 60 2HZ LYS 60 29.021 24.831 -3.591 464 H GLY 61 H GLY 61 22.148 24.344 -2.572 465 HA2 GLY 61 2HA GLY 61 20.925 26.145 -4.209 466 HA3 GLY 61 3HA GLY 61 22.592 26.153 -4.767 467 H VAL 62 H VAL 62 23.515 23.898 -5.171 468 HA VAL 62 HA VAL 62 22.163 22.675 -7.242 469 HB VAL 62 HB VAL 62 24.511 22.286 -6.972 470 HG11 VAL 62 1HG1 VAL 62 23.794 21.782 -4.255 471 HG12 VAL 62 2HG1 VAL 62 24.686 20.396 -4.885 472 HG13 VAL 62 3HG1 VAL 62 25.396 22.010 -4.956 473 HG21 VAL 62 3HG2 VAL 62 23.052 19.682 -6.526 474 HG22 VAL 62 1HG2 VAL 62 23.192 20.519 -8.072 475 HG23 VAL 62 2HG2 VAL 62 24.634 19.885 -7.280 476 H ARG 63 H ARG 63 20.249 21.706 -7.199 477 HA ARG 63 HA ARG 63 19.711 19.763 -5.060 478 HB2 ARG 63 2HB ARG 63 17.398 20.491 -4.921 479 HB3 ARG 63 3HB ARG 63 18.473 21.841 -4.583 480 HG2 ARG 63 2HG ARG 63 18.162 22.609 -6.919 481 HG3 ARG 63 3HG ARG 63 16.981 21.317 -7.143 482 HD2 ARG 63 2HD ARG 63 15.679 22.268 -5.246 483 HD3 ARG 63 3HD ARG 63 16.814 23.617 -5.201 484 HE ARG 63 HE ARG 63 15.624 23.205 -7.782 485 HH11 ARG 63 1HH1 ARG 63 15.243 24.710 -4.666 486 HH12 ARG 63 2HH1 ARG 63 14.168 25.939 -5.246 487 HH21 ARG 63 1HH2 ARG 63 14.209 24.817 -8.557 488 HH22 ARG 63 2HH2 ARG 63 13.580 25.999 -7.459 489 H ASP 64 H ASP 64 19.142 17.827 -5.803 490 HA ASP 64 HA ASP 64 18.372 17.599 -8.632 491 HB2 ASP 64 2HB ASP 64 20.310 16.239 -7.123 492 HB3 ASP 64 3HB ASP 64 19.012 15.076 -7.377 493 H PHE 65 H PHE 65 17.028 15.489 -9.006 494 HA PHE 65 HA PHE 65 15.133 14.882 -6.917 495 HB2 PHE 65 2HB PHE 65 13.178 15.528 -8.438 496 HB3 PHE 65 3HB PHE 65 14.026 16.841 -7.628 497 HD1 PHE 65 HD2 PHE 65 15.549 18.299 -8.893 498 HD2 PHE 65 HD1 PHE 65 13.201 15.308 -10.806 499 HE1 PHE 65 HE2 PHE 65 15.939 19.387 -11.065 500 HE2 PHE 65 HE1 PHE 65 13.588 16.390 -12.981 501 HZ PHE 65 HZ PHE 65 14.957 18.433 -13.113 502 H TYR 66 H TYR 66 14.891 12.761 -7.056 503 HA TYR 66 HA TYR 66 14.997 11.498 -9.713 504 HB2 TYR 66 2HB TYR 66 16.221 10.835 -7.169 505 HB3 TYR 66 3HB TYR 66 15.273 9.489 -7.790 506 HD1 TYR 66 HD2 TYR 66 15.637 9.385 -10.569 507 HD2 TYR 66 HD1 TYR 66 18.462 10.607 -7.631 508 HE1 TYR 66 HE2 TYR 66 17.473 8.792 -12.095 509 HE2 TYR 66 HE1 TYR 66 20.305 10.019 -9.150 510 HH TYR 66 HH TYR 66 19.855 8.181 -11.960 511 H THR 67 H THR 67 13.453 9.997 -10.303 512 HA THR 67 HA THR 67 11.227 9.522 -8.455 513 HB THR 67 HB THR 67 10.597 11.454 -9.873 514 HG1 THR 67 HG1 THR 67 8.590 10.569 -10.462 515 HG21 THR 67 3HG2 THR 67 10.636 11.446 -12.151 516 HG22 THR 67 1HG2 THR 67 10.344 9.711 -12.261 517 HG23 THR 67 2HG2 THR 67 11.955 10.311 -11.868 518 H SER 68 H SER 68 13.423 7.868 -9.485 519 HA SER 68 HA SER 68 11.922 5.540 -10.112 520 HB2 SER 68 2HB SER 68 13.275 5.241 -12.359 521 HB3 SER 68 3HB SER 68 11.747 6.121 -12.344 522 HG SER 68 HG SER 68 12.804 7.801 -12.995 523 H ASP 69 H ASP 69 13.266 3.628 -10.285 524 HA ASP 69 HA ASP 69 15.305 3.495 -8.438 525 HB2 ASP 69 2HB ASP 69 14.678 1.732 -10.803 526 HB3 ASP 69 3HB ASP 69 15.956 1.345 -9.654 527 H ALA 70 H ALA 70 17.229 4.432 -8.418 528 HA ALA 70 HA ALA 70 18.668 4.748 -10.972 529 HB1 ALA 70 1HB ALA 70 19.241 6.515 -8.639 530 HB2 ALA 70 2HB ALA 70 19.426 6.831 -10.365 531 HB3 ALA 70 3HB ALA 70 17.820 6.830 -9.636 532 H ALA 71 H ALA 71 20.251 3.297 -11.082 533 HA ALA 71 HA ALA 71 21.364 1.938 -8.887 534 HB1 ALA 71 1HB ALA 71 21.463 0.890 -11.005 535 HB2 ALA 71 2HB ALA 71 22.299 2.265 -11.727 536 HB3 ALA 71 3HB ALA 71 23.130 1.246 -10.552 537 H GLU 72 H GLU 72 22.197 4.941 -10.438 538 HA GLU 72 HA GLU 72 24.484 5.211 -8.598 539 HB2 GLU 72 2HB GLU 72 24.367 5.518 -11.457 540 HB3 GLU 72 3HB GLU 72 24.806 7.049 -10.713 541 HG2 GLU 72 2HG GLU 72 26.510 5.623 -9.379 542 HG3 GLU 72 3HG GLU 72 26.252 4.439 -10.659 543 H LEU 73 H LEU 73 24.129 6.662 -7.067 544 HA LEU 73 HA LEU 73 21.937 8.310 -6.830 545 HB2 LEU 73 2HB LEU 73 24.589 8.146 -5.572 546 HB3 LEU 73 3HB LEU 73 23.793 9.713 -5.436 547 HG LEU 73 HG LEU 73 23.496 7.989 -3.542 548 HD11 LEU 73 1HD1 LEU 73 22.090 10.142 -4.280 549 HD12 LEU 73 2HD1 LEU 73 21.662 9.139 -2.895 550 HD13 LEU 73 3HD1 LEU 73 20.837 8.910 -4.436 551 HD21 LEU 73 3HD2 LEU 73 22.882 6.187 -5.255 552 HD22 LEU 73 1HD2 LEU 73 21.302 6.970 -5.316 553 HD23 LEU 73 2HD2 LEU 73 21.898 6.303 -3.795 554 H SER 74 H SER 74 21.983 10.754 -6.699 555 HA SER 74 HA SER 74 22.237 11.888 -9.182 556 HB2 SER 74 2HB SER 74 22.261 13.096 -6.427 557 HB3 SER 74 3HB SER 74 22.412 14.113 -7.860 558 HG SER 74 HG SER 74 20.429 13.090 -8.594 559 H ARG 75 H ARG 75 24.391 12.937 -6.557 560 HA ARG 75 HA ARG 75 26.523 13.273 -8.547 561 HB2 ARG 75 2HB ARG 75 25.576 14.982 -6.581 562 HB3 ARG 75 3HB ARG 75 27.056 14.337 -5.885 563 HG2 ARG 75 2HG ARG 75 28.119 15.918 -7.025 564 HG3 ARG 75 3HG ARG 75 27.787 14.958 -8.468 565 HD2 ARG 75 2HD ARG 75 25.744 16.197 -8.861 566 HD3 ARG 75 3HD ARG 75 25.975 17.101 -7.365 567 HE ARG 75 HE ARG 75 28.241 17.519 -8.892 568 HH11 ARG 75 1HH1 ARG 75 24.823 18.125 -9.157 569 HH12 ARG 75 2HH1 ARG 75 25.017 19.537 -10.142 570 HH21 ARG 75 1HH2 ARG 75 28.510 19.376 -10.189 571 HH22 ARG 75 2HH2 ARG 75 27.115 20.247 -10.729 572 H ASP 76 H ASP 76 28.724 13.323 -6.892 573 HA ASP 76 HA ASP 76 29.514 10.682 -6.773 574 HB2 ASP 76 2HB ASP 76 30.501 13.174 -5.431 575 HB3 ASP 76 3HB ASP 76 31.211 11.619 -5.007 576 H ASN 77 H ASN 77 28.816 9.051 -5.577 577 HA ASN 77 HA ASN 77 28.173 7.816 -3.771 578 HB2 ASN 77 2HB ASN 77 28.407 10.183 -1.947 579 HB3 ASN 77 3HB ASN 77 28.750 8.487 -1.619 580 HD21 ASN 77 1HD2 ASN 77 30.345 10.972 -1.274 581 HD22 ASN 77 2HD2 ASN 77 31.837 10.661 -2.088 582 H ASP 78 H ASP 78 27.002 11.079 -2.940 583 HA ASP 78 HA ASP 78 24.347 10.647 -3.766 584 HB2 ASP 78 2HB ASP 78 24.161 9.049 -1.987 585 HB3 ASP 78 3HB ASP 78 24.916 10.153 -0.841 586 H ALA 79 H ALA 79 24.936 12.032 -0.617 587 HA ALA 79 HA ALA 79 25.710 14.607 -1.261 588 HB1 ALA 79 1HB ALA 79 23.180 15.508 -0.870 589 HB2 ALA 79 2HB ALA 79 23.951 15.339 -2.447 590 HB3 ALA 79 3HB ALA 79 22.886 14.069 -1.846 591 H SER 80 H SER 80 24.951 16.243 0.467 592 HA SER 80 HA SER 80 25.410 15.037 3.018 593 HB2 SER 80 2HB SER 80 26.360 17.210 2.592 594 HB3 SER 80 3HB SER 80 24.775 17.884 2.212 595 HG SER 80 HG SER 80 25.967 17.735 4.575 596 H SER 81 H SER 81 22.640 16.600 1.461 597 HA SER 81 HA SER 81 20.913 15.398 3.519 598 HB2 SER 81 2HB SER 81 20.924 17.701 4.096 599 HB3 SER 81 3HB SER 81 20.814 18.203 2.409 600 HG SER 81 HG SER 81 18.828 17.319 4.141 601 H VAL 82 H VAL 82 18.701 15.018 2.822 602 HA VAL 82 HA VAL 82 18.195 15.071 -0.043 603 HB VAL 82 HB VAL 82 17.631 12.703 -0.181 604 HG11 VAL 82 1HG1 VAL 82 19.832 11.831 -0.304 605 HG12 VAL 82 2HG1 VAL 82 19.956 13.554 -0.663 606 HG13 VAL 82 3HG1 VAL 82 20.418 12.948 0.928 607 HG21 VAL 82 3HG2 VAL 82 18.799 11.437 1.935 608 HG22 VAL 82 1HG2 VAL 82 18.063 12.840 2.711 609 HG23 VAL 82 2HG2 VAL 82 17.069 11.733 1.763 610 H ARG 83 H ARG 83 15.953 14.348 -0.551 611 HA ARG 83 HA ARG 83 14.124 14.694 1.726 612 HB2 ARG 83 2HB ARG 83 14.555 16.637 -0.176 613 HB3 ARG 83 3HB ARG 83 13.140 15.800 -0.801 614 HG2 ARG 83 2HG ARG 83 11.802 16.649 0.770 615 HG3 ARG 83 3HG ARG 83 12.984 16.386 2.053 616 HD2 ARG 83 2HD ARG 83 14.055 18.420 1.644 617 HD3 ARG 83 3HD ARG 83 13.345 18.575 0.038 618 HE ARG 83 HE ARG 83 12.182 19.391 2.531 619 HH11 ARG 83 1HH1 ARG 83 11.515 18.388 -0.736 620 HH12 ARG 83 2HH1 ARG 83 9.972 19.174 -0.801 621 HH21 ARG 83 1HH2 ARG 83 10.152 20.430 2.457 622 HH22 ARG 83 2HH2 ARG 83 9.198 20.336 1.016 623 H VAL 84 H VAL 84 12.234 13.522 1.654 624 HA VAL 84 HA VAL 84 11.781 11.820 -0.697 625 HB VAL 84 HB VAL 84 11.438 9.857 0.619 626 HG11 VAL 84 1HG1 VAL 84 13.639 9.392 1.343 627 HG12 VAL 84 2HG1 VAL 84 13.797 10.570 0.039 628 HG13 VAL 84 3HG1 VAL 84 13.954 11.085 1.719 629 HG21 VAL 84 3HG2 VAL 84 10.489 10.294 2.624 630 HG22 VAL 84 1HG2 VAL 84 12.160 10.221 3.184 631 HG23 VAL 84 2HG2 VAL 84 11.406 11.782 2.856 632 H SER 85 H SER 85 9.677 11.486 -1.219 633 HA SER 85 HA SER 85 7.535 11.914 0.640 634 HB2 SER 85 2HB SER 85 7.496 13.806 -1.689 635 HB3 SER 85 3HB SER 85 6.623 13.903 -0.160 636 HG SER 85 HG SER 85 9.105 14.835 -0.816 637 H LYS 86 H LYS 86 5.363 11.938 -0.655 638 HA LYS 86 HA LYS 86 5.587 9.825 -2.687 639 HB2 LYS 86 2HB LYS 86 4.302 9.208 -0.702 640 HB3 LYS 86 3HB LYS 86 3.255 10.603 -0.926 641 HG2 LYS 86 2HG LYS 86 1.983 9.543 -2.414 642 HG3 LYS 86 3HG LYS 86 3.381 8.903 -3.282 643 HD2 LYS 86 2HD LYS 86 3.463 6.987 -2.009 644 HD3 LYS 86 3HD LYS 86 2.667 7.744 -0.627 645 HE2 LYS 86 2HE LYS 86 1.305 7.106 -3.240 646 HE3 LYS 86 3HE LYS 86 1.266 6.062 -1.820 647 HZ1 LYS 86 3HZ LYS 86 0.522 8.753 -1.207 648 HZ2 LYS 86 1HZ LYS 86 -0.301 7.309 -0.890 649 HZ3 LYS 86 2HZ LYS 86 -0.485 8.075 -2.386 650 H MET 87 H MET 87 5.327 10.441 -4.721 651 HA MET 87 HA MET 87 4.239 12.994 -5.413 652 HB2 MET 87 2HB MET 87 5.993 11.293 -6.617 653 HB3 MET 87 3HB MET 87 4.538 10.996 -7.559 654 HG2 MET 87 2HG MET 87 4.712 13.770 -7.327 655 HG3 MET 87 3HG MET 87 6.356 13.218 -7.642 656 HE1 MET 87 3HE MET 87 5.487 15.068 -9.282 657 HE2 MET 87 1HE MET 87 6.241 14.321 -10.690 658 HE3 MET 87 2HE MET 87 4.532 14.755 -10.732 659 H GLU 88 H GLU 88 2.786 12.605 -7.683 660 HA GLU 88 HA GLU 88 0.668 12.259 -8.437 661 HB2 GLU 88 2HB GLU 88 1.521 9.759 -7.316 662 HB3 GLU 88 3HB GLU 88 -0.196 9.976 -7.009 663 HG2 GLU 88 2HG GLU 88 -0.056 10.699 -9.609 664 HG3 GLU 88 3HG GLU 88 1.229 9.495 -9.527 665 H THR 89 H THR 89 1.280 13.563 -5.742 666 HA THR 89 HA THR 89 -1.076 13.127 -4.159 667 HB THR 89 HB THR 89 0.380 15.641 -3.711 668 HG1 THR 89 HG1 THR 89 2.322 14.765 -3.297 669 HG21 THR 89 3HG2 THR 89 0.131 15.080 -1.472 670 HG22 THR 89 1HG2 THR 89 0.129 13.348 -1.799 671 HG23 THR 89 2HG2 THR 89 -1.283 14.324 -2.205 672 H THR 90 H THR 90 -2.924 13.623 -5.242 673 HA THR 90 HA THR 90 -3.140 16.189 -6.617 674 HB THR 90 HB THR 90 -5.563 14.545 -6.473 675 HG1 THR 90 HG1 THR 90 -4.778 12.752 -7.339 676 HG21 THR 90 3HG2 THR 90 -5.930 15.612 -8.395 677 HG22 THR 90 1HG2 THR 90 -4.454 14.951 -9.097 678 HG23 THR 90 2HG2 THR 90 -4.395 16.449 -8.169 679 H ASN 91 H ASN 91 -5.128 17.493 -6.262 680 HA ASN 91 HA ASN 91 -5.555 17.833 -3.401 681 HB2 ASN 91 2HB ASN 91 -5.646 19.553 -5.765 682 HB3 ASN 91 3HB ASN 91 -6.999 19.819 -4.669 683 HD21 ASN 91 1HD2 ASN 91 -3.639 20.205 -5.195 684 HD22 ASN 91 2HD2 ASN 91 -3.282 21.067 -3.741 Start of MODEL 20 1 H GLY 1 H GLY 1 5.071 -2.216 1.649 2 HA2 GLY 1 2HA GLY 1 3.887 -1.676 -0.389 3 HA3 GLY 1 3HA GLY 1 3.770 -0.277 0.667 4 H GLU 2 H GLU 2 3.414 0.796 -1.456 5 HA GLU 2 HA GLU 2 5.986 1.436 -2.746 6 HB2 GLU 2 2HB GLU 2 4.618 2.059 -4.748 7 HB3 GLU 2 3HB GLU 2 4.573 0.348 -4.344 8 HG2 GLU 2 2HG GLU 2 2.393 0.531 -3.432 9 HG3 GLU 2 3HG GLU 2 2.447 2.292 -3.492 10 H LYS 3 H LYS 3 5.720 2.852 -0.599 11 HA LYS 3 HA LYS 3 4.994 5.510 -1.567 12 HB2 LYS 3 2HB LYS 3 3.890 6.041 0.604 13 HB3 LYS 3 3HB LYS 3 3.015 4.859 -0.362 14 HG2 LYS 3 2HG LYS 3 4.195 3.089 1.042 15 HG3 LYS 3 3HG LYS 3 4.627 4.413 2.126 16 HD2 LYS 3 2HD LYS 3 2.664 3.913 3.113 17 HD3 LYS 3 3HD LYS 3 1.980 4.875 1.801 18 HE2 LYS 3 2HE LYS 3 2.456 2.095 1.062 19 HE3 LYS 3 3HE LYS 3 1.332 2.269 2.409 20 HZ1 LYS 3 3HZ LYS 3 0.587 2.409 -0.129 21 HZ2 LYS 3 1HZ LYS 3 0.910 4.047 0.148 22 HZ3 LYS 3 2HZ LYS 3 -0.217 3.233 1.111 23 H THR 4 H THR 4 7.481 3.992 -0.983 24 HA THR 4 HA THR 4 8.836 6.091 0.448 25 HB THR 4 HB THR 4 9.244 3.355 1.608 26 HG1 THR 4 HG1 THR 4 7.098 3.645 2.032 27 HG21 THR 4 3HG2 THR 4 9.443 5.427 3.508 28 HG22 THR 4 1HG2 THR 4 10.257 5.999 2.053 29 HG23 THR 4 2HG2 THR 4 10.751 4.480 2.801 30 H VAL 5 H VAL 5 11.070 6.090 0.113 31 HA VAL 5 HA VAL 5 11.943 4.363 -2.080 32 HB VAL 5 HB VAL 5 12.227 6.775 -2.390 33 HG11 VAL 5 1HG1 VAL 5 13.815 8.038 -1.038 34 HG12 VAL 5 2HG1 VAL 5 12.508 7.400 -0.040 35 HG13 VAL 5 3HG1 VAL 5 14.091 6.623 -0.023 36 HG21 VAL 5 3HG2 VAL 5 14.856 5.330 -2.063 37 HG22 VAL 5 1HG2 VAL 5 13.793 5.233 -3.467 38 HG23 VAL 5 2HG2 VAL 5 14.575 6.760 -3.056 39 H LYS 6 H LYS 6 13.762 3.082 -1.988 40 HA LYS 6 HA LYS 6 14.798 2.567 0.715 41 HB2 LYS 6 2HB LYS 6 15.037 0.718 -1.652 42 HB3 LYS 6 3HB LYS 6 15.234 0.330 0.052 43 HG2 LYS 6 2HG LYS 6 13.134 -0.378 0.019 44 HG3 LYS 6 3HG LYS 6 12.651 1.314 -0.120 45 HD2 LYS 6 2HD LYS 6 13.209 0.792 -2.694 46 HD3 LYS 6 3HD LYS 6 12.723 -0.821 -2.166 47 HE2 LYS 6 2HE LYS 6 10.706 0.449 -1.104 48 HE3 LYS 6 3HE LYS 6 11.135 1.709 -2.260 49 HZ1 LYS 6 3HZ LYS 6 9.564 -0.463 -2.759 50 HZ2 LYS 6 1HZ LYS 6 11.045 -0.882 -3.463 51 HZ3 LYS 6 2HZ LYS 6 10.264 0.545 -3.923 52 H LEU 7 H LEU 7 16.682 3.537 1.074 53 HA LEU 7 HA LEU 7 18.501 4.119 -1.107 54 HB2 LEU 7 2HB LEU 7 18.267 4.887 1.751 55 HB3 LEU 7 3HB LEU 7 19.868 4.947 1.016 56 HG LEU 7 HG LEU 7 18.926 6.470 -0.728 57 HD11 LEU 7 1HD1 LEU 7 16.795 7.468 -0.452 58 HD12 LEU 7 2HD1 LEU 7 16.561 6.700 1.118 59 HD13 LEU 7 3HD1 LEU 7 16.554 5.724 -0.351 60 HD21 LEU 7 3HD2 LEU 7 19.198 7.097 2.150 61 HD22 LEU 7 1HD2 LEU 7 18.472 8.338 1.129 62 HD23 LEU 7 2HD2 LEU 7 20.085 7.725 0.760 63 H TYR 8 H TYR 8 20.291 3.014 -1.606 64 HA TYR 8 HA TYR 8 21.105 0.834 0.203 65 HB2 TYR 8 2HB TYR 8 21.604 0.873 -2.768 66 HB3 TYR 8 3HB TYR 8 21.679 -0.498 -1.667 67 HD1 TYR 8 HD1 TYR 8 19.104 -0.094 -0.199 68 HD2 TYR 8 HD2 TYR 8 20.022 0.156 -4.346 69 HE1 TYR 8 HE1 TYR 8 16.773 -0.662 -0.743 70 HE2 TYR 8 HE2 TYR 8 17.694 -0.410 -4.901 71 HH TYR 8 HH TYR 8 15.419 -1.429 -2.463 72 H GLU 9 H GLU 9 23.321 0.409 0.456 73 HA GLU 9 HA GLU 9 25.011 2.749 0.005 74 HB2 GLU 9 2HB GLU 9 26.456 1.877 1.688 75 HB3 GLU 9 3HB GLU 9 24.810 1.692 2.279 76 HG2 GLU 9 2HG GLU 9 25.236 -0.690 1.013 77 HG3 GLU 9 3HG GLU 9 26.829 -0.324 1.674 78 H ASP 10 H ASP 10 24.604 -0.529 -1.029 79 HA ASP 10 HA ASP 10 27.169 -0.453 -2.460 80 HB2 ASP 10 2HB ASP 10 25.684 -2.547 -1.142 81 HB3 ASP 10 3HB ASP 10 25.967 -2.970 -2.828 82 H THR 11 H THR 11 27.247 -1.076 -4.685 83 HA THR 11 HA THR 11 25.071 0.018 -6.208 84 HB THR 11 HB THR 11 26.446 -0.236 -8.133 85 HG1 THR 11 HG1 THR 11 28.209 -1.603 -8.188 86 HG21 THR 11 3HG2 THR 11 27.248 1.208 -5.986 87 HG22 THR 11 1HG2 THR 11 28.058 1.236 -7.552 88 HG23 THR 11 2HG2 THR 11 28.675 0.208 -6.258 89 H HIS 12 H HIS 12 23.814 -1.049 -7.767 90 HA HIS 12 HA HIS 12 22.546 -2.733 -8.624 91 HB2 HIS 12 2HB HIS 12 24.787 -4.599 -7.837 92 HB3 HIS 12 3HB HIS 12 23.581 -4.842 -9.098 93 HD1 HIS 12 HD1 HIS 12 26.974 -4.201 -8.894 94 HD2 HIS 12 HD2 HIS 12 23.897 -2.363 -10.995 95 HE1 HIS 12 HE1 HIS 12 28.090 -2.978 -10.788 96 H PHE 13 H PHE 13 22.310 -1.986 -5.838 97 HA PHE 13 HA PHE 13 21.325 -2.652 -3.894 98 HB2 PHE 13 2HB PHE 13 19.523 -3.117 -5.581 99 HB3 PHE 13 3HB PHE 13 20.068 -4.791 -5.621 100 HD1 PHE 13 HD1 PHE 13 19.671 -2.476 -2.738 101 HD2 PHE 13 HD2 PHE 13 18.356 -6.028 -4.680 102 HE1 PHE 13 HE1 PHE 13 18.223 -2.987 -0.815 103 HE2 PHE 13 HE2 PHE 13 16.906 -6.544 -2.760 104 HZ PHE 13 HZ PHE 13 16.838 -5.023 -0.825 105 H LYS 14 H LYS 14 23.815 -3.507 -3.844 106 HA LYS 14 HA LYS 14 23.681 -6.324 -2.987 107 HB2 LYS 14 2HB LYS 14 25.270 -5.472 -4.923 108 HB3 LYS 14 3HB LYS 14 26.286 -4.985 -3.572 109 HG2 LYS 14 2HG LYS 14 27.111 -7.068 -3.930 110 HG3 LYS 14 3HG LYS 14 25.822 -7.466 -2.792 111 HD2 LYS 14 2HD LYS 14 25.463 -9.017 -4.461 112 HD3 LYS 14 3HD LYS 14 24.378 -7.715 -4.951 113 HE2 LYS 14 2HE LYS 14 25.434 -7.552 -6.896 114 HE3 LYS 14 3HE LYS 14 26.946 -7.203 -6.059 115 HZ1 LYS 14 3HZ LYS 14 25.908 -9.821 -6.954 116 HZ2 LYS 14 1HZ LYS 14 27.116 -9.709 -5.775 117 HZ3 LYS 14 2HZ LYS 14 27.388 -9.090 -7.325 118 H GLY 15 H GLY 15 22.782 -4.478 -1.201 119 HA2 GLY 15 2HA GLY 15 24.570 -4.886 0.996 120 HA3 GLY 15 3HA GLY 15 24.528 -3.203 0.493 121 H TYR 16 H TYR 16 23.680 -2.726 2.602 122 HA TYR 16 HA TYR 16 21.176 -3.786 3.462 123 HB2 TYR 16 2HB TYR 16 23.156 -2.528 4.759 124 HB3 TYR 16 3HB TYR 16 22.094 -1.151 4.486 125 HD1 TYR 16 HD1 TYR 16 21.930 -4.676 5.722 126 HD2 TYR 16 HD2 TYR 16 20.480 -0.691 6.072 127 HE1 TYR 16 HE1 TYR 16 20.573 -5.346 7.661 128 HE2 TYR 16 HE2 TYR 16 19.120 -1.350 8.012 129 HH TYR 16 HH TYR 16 18.073 -3.656 8.827 130 H SER 17 H SER 17 19.442 -2.023 4.124 131 HA SER 17 HA SER 17 19.005 -0.137 1.930 132 HB2 SER 17 2HB SER 17 16.478 -1.277 2.444 133 HB3 SER 17 3HB SER 17 17.438 -1.421 0.972 134 HG SER 17 HG SER 17 16.827 -3.318 2.721 135 H VAL 18 H VAL 18 17.836 1.666 2.479 136 HA VAL 18 HA VAL 18 16.850 1.821 5.250 137 HB VAL 18 HB VAL 18 18.401 3.962 3.787 138 HG11 VAL 18 1HG1 VAL 18 17.202 3.977 6.555 139 HG12 VAL 18 2HG1 VAL 18 18.223 5.241 5.866 140 HG13 VAL 18 3HG1 VAL 18 16.634 4.913 5.173 141 HG21 VAL 18 3HG2 VAL 18 19.725 3.469 6.115 142 HG22 VAL 18 1HG2 VAL 18 19.150 1.858 5.685 143 HG23 VAL 18 2HG2 VAL 18 20.145 2.770 4.551 144 H GLU 19 H GLU 19 14.801 2.442 5.389 145 HA GLU 19 HA GLU 19 13.516 3.598 3.028 146 HB2 GLU 19 2HB GLU 19 11.501 2.747 3.799 147 HB3 GLU 19 3HB GLU 19 12.648 1.535 4.350 148 HG2 GLU 19 2HG GLU 19 11.450 3.741 6.008 149 HG3 GLU 19 3HG GLU 19 11.040 2.028 6.081 150 H LEU 20 H LEU 20 12.433 5.536 3.049 151 HA LEU 20 HA LEU 20 12.310 7.078 5.518 152 HB2 LEU 20 2HB LEU 20 13.218 9.006 3.841 153 HB3 LEU 20 3HB LEU 20 14.209 8.144 5.016 154 HG LEU 20 HG LEU 20 13.959 7.003 2.278 155 HD11 LEU 20 1HD1 LEU 20 15.047 8.620 1.202 156 HD12 LEU 20 2HD1 LEU 20 16.187 8.849 2.528 157 HD13 LEU 20 3HD1 LEU 20 14.623 9.664 2.560 158 HD21 LEU 20 3HD2 LEU 20 15.808 5.857 2.852 159 HD22 LEU 20 1HD2 LEU 20 15.319 6.265 4.497 160 HD23 LEU 20 2HD2 LEU 20 16.538 7.238 3.673 161 HA PRO 21 HA PRO 21 8.450 7.746 3.273 162 HB2 PRO 21 2HB PRO 21 7.085 8.615 5.452 163 HB3 PRO 21 3HB PRO 21 7.359 6.902 5.110 164 HG2 PRO 21 2HG PRO 21 8.829 8.718 6.981 165 HG3 PRO 21 3HG PRO 21 8.296 7.046 7.233 166 HD2 PRO 21 2HD PRO 21 10.850 7.681 6.595 167 HD3 PRO 21 3HD PRO 21 10.082 6.169 6.069 168 H VAL 22 H VAL 22 6.898 9.696 3.327 169 HA VAL 22 HA VAL 22 7.995 11.932 2.326 170 HB VAL 22 HB VAL 22 5.602 11.679 2.381 171 HG11 VAL 22 1HG1 VAL 22 6.018 11.158 5.129 172 HG12 VAL 22 2HG1 VAL 22 4.951 12.560 5.012 173 HG13 VAL 22 3HG1 VAL 22 4.516 11.049 4.211 174 HG21 VAL 22 3HG2 VAL 22 6.805 14.012 2.481 175 HG22 VAL 22 1HG2 VAL 22 5.046 13.900 2.554 176 HG23 VAL 22 2HG2 VAL 22 5.977 14.132 4.034 177 H GLY 23 H GLY 23 9.493 13.309 3.003 178 HA2 GLY 23 2HA GLY 23 9.498 15.015 5.063 179 HA3 GLY 23 3HA GLY 23 10.078 13.549 5.840 180 H ASP 24 H ASP 24 11.686 15.705 5.895 181 HA ASP 24 HA ASP 24 13.711 15.166 3.823 182 HB2 ASP 24 2HB ASP 24 14.553 17.502 4.856 183 HB3 ASP 24 3HB ASP 24 13.417 17.402 3.513 184 H TYR 25 H TYR 25 15.820 14.777 4.419 185 HA TYR 25 HA TYR 25 16.365 14.567 7.303 186 HB2 TYR 25 2HB TYR 25 17.440 12.565 5.332 187 HB3 TYR 25 3HB TYR 25 17.329 12.433 7.083 188 HD1 TYR 25 HD2 TYR 25 15.239 12.595 4.009 189 HD2 TYR 25 HD1 TYR 25 15.508 11.352 8.069 190 HE1 TYR 25 HE2 TYR 25 13.105 11.395 3.776 191 HE2 TYR 25 HE1 TYR 25 13.375 10.147 7.847 192 HH TYR 25 HH TYR 25 11.571 9.821 6.542 193 H ASN 26 H ASN 26 18.160 15.575 7.918 194 HA ASN 26 HA ASN 26 19.864 16.807 5.951 195 HB2 ASN 26 2HB ASN 26 19.964 16.806 8.974 196 HB3 ASN 26 3HB ASN 26 21.032 17.754 7.944 197 HD21 ASN 26 1HD2 ASN 26 18.283 17.846 9.729 198 HD22 ASN 26 2HD2 ASN 26 17.504 19.201 8.994 199 H LEU 27 H LEU 27 22.353 16.795 6.871 200 HA LEU 27 HA LEU 27 23.483 14.454 5.953 201 HB2 LEU 27 2HB LEU 27 24.885 16.314 6.079 202 HB3 LEU 27 3HB LEU 27 24.494 16.607 7.772 203 HG LEU 27 HG LEU 27 25.830 14.050 7.327 204 HD11 LEU 27 1HD1 LEU 27 28.062 15.147 6.990 205 HD12 LEU 27 2HD1 LEU 27 27.194 16.613 6.535 206 HD13 LEU 27 3HD1 LEU 27 27.004 15.144 5.579 207 HD21 LEU 27 3HD2 LEU 27 27.353 15.383 9.067 208 HD22 LEU 27 1HD2 LEU 27 25.838 14.605 9.526 209 HD23 LEU 27 2HD2 LEU 27 25.876 16.339 9.205 210 H SER 28 H SER 28 23.437 15.426 9.387 211 HA SER 28 HA SER 28 24.232 12.970 10.425 212 HB2 SER 28 2HB SER 28 24.143 15.133 11.686 213 HB3 SER 28 3HB SER 28 22.391 14.953 11.782 214 HG SER 28 HG SER 28 22.616 13.289 13.142 215 H SER 29 H SER 29 21.011 14.177 9.649 216 HA SER 29 HA SER 29 19.435 12.247 10.843 217 HB2 SER 29 2HB SER 29 18.721 14.337 9.529 218 HB3 SER 29 3HB SER 29 18.838 13.324 8.091 219 HG SER 29 HG SER 29 17.424 11.846 9.462 220 H LEU 30 H LEU 30 21.229 12.091 7.819 221 HA LEU 30 HA LEU 30 20.143 9.579 7.000 222 HB2 LEU 30 2HB LEU 30 22.425 11.293 6.119 223 HB3 LEU 30 3HB LEU 30 22.293 9.639 5.525 224 HG LEU 30 HG LEU 30 19.795 11.047 5.202 225 HD11 LEU 30 1HD1 LEU 30 21.655 12.896 5.095 226 HD12 LEU 30 2HD1 LEU 30 20.347 12.856 3.913 227 HD13 LEU 30 3HD1 LEU 30 21.935 12.214 3.493 228 HD21 LEU 30 3HD2 LEU 30 21.676 10.017 3.093 229 HD22 LEU 30 1HD2 LEU 30 19.921 10.171 3.013 230 HD23 LEU 30 2HD2 LEU 30 20.653 8.957 4.062 231 H ILE 31 H ILE 31 22.889 10.600 8.909 232 HA ILE 31 HA ILE 31 24.322 8.171 8.893 233 HB ILE 31 HB ILE 31 24.277 10.128 11.183 234 HG12 ILE 31 2HG1 ILE 31 24.588 11.450 9.195 235 HG13 ILE 31 3HG1 ILE 31 26.155 11.270 9.977 236 HG21 ILE 31 1HG2 ILE 31 26.783 9.395 11.091 237 HG22 ILE 31 2HG2 ILE 31 25.581 8.357 11.855 238 HG23 ILE 31 3HG2 ILE 31 26.137 8.005 10.219 239 HD11 ILE 31 3HD1 ILE 31 25.936 9.135 8.179 240 HD12 ILE 31 1HD1 ILE 31 25.360 10.566 7.324 241 HD13 ILE 31 2HD1 ILE 31 26.967 10.560 8.051 242 H SER 32 H SER 32 21.730 9.394 10.948 243 HA SER 32 HA SER 32 21.782 7.515 12.983 244 HB2 SER 32 2HB SER 32 20.288 9.281 13.320 245 HB3 SER 32 3HB SER 32 19.563 9.101 11.722 246 HG SER 32 HG SER 32 18.231 7.665 12.496 247 H ARG 33 H ARG 33 20.365 7.291 9.762 248 HA ARG 33 HA ARG 33 19.215 4.695 10.260 249 HB2 ARG 33 2HB ARG 33 19.619 5.921 7.543 250 HB3 ARG 33 3HB ARG 33 18.369 4.800 8.066 251 HG2 ARG 33 2HG ARG 33 18.616 7.655 8.991 252 HG3 ARG 33 3HG ARG 33 17.536 7.090 7.714 253 HD2 ARG 33 2HD ARG 33 17.465 6.422 10.645 254 HD3 ARG 33 3HD ARG 33 16.230 7.233 9.683 255 HE ARG 33 HE ARG 33 16.452 4.806 8.503 256 HH11 ARG 33 1HH1 ARG 33 15.926 5.846 11.783 257 HH12 ARG 33 2HH1 ARG 33 14.995 4.450 12.215 258 HH21 ARG 33 1HH2 ARG 33 15.227 2.963 9.058 259 HH22 ARG 33 2HH2 ARG 33 14.598 2.811 10.664 260 H GLY 34 H GLY 34 22.239 5.937 9.196 261 HA2 GLY 34 2HA GLY 34 24.155 4.465 9.235 262 HA3 GLY 34 3HA GLY 34 23.122 3.183 8.622 263 H ALA 35 H ALA 35 22.428 6.073 7.078 264 HA ALA 35 HA ALA 35 23.774 5.156 4.666 265 HB1 ALA 35 1HB ALA 35 21.659 7.218 5.201 266 HB2 ALA 35 2HB ALA 35 22.462 7.087 3.635 267 HB3 ALA 35 3HB ALA 35 21.536 5.726 4.268 268 H LEU 36 H LEU 36 25.699 5.900 4.094 269 HA LEU 36 HA LEU 36 26.911 8.124 5.437 270 HB2 LEU 36 2HB LEU 36 27.946 5.928 4.397 271 HB3 LEU 36 3HB LEU 36 28.080 6.948 2.966 272 HG LEU 36 HG LEU 36 30.165 6.888 4.242 273 HD11 LEU 36 1HD1 LEU 36 29.088 9.019 3.080 274 HD12 LEU 36 2HD1 LEU 36 30.641 9.083 3.914 275 HD13 LEU 36 3HD1 LEU 36 29.180 9.640 4.729 276 HD21 LEU 36 3HD2 LEU 36 30.239 7.020 6.458 277 HD22 LEU 36 1HD2 LEU 36 28.475 7.004 6.461 278 HD23 LEU 36 2HD2 LEU 36 29.343 8.540 6.454 279 H ASN 37 H ASN 37 27.118 10.181 4.776 280 HA ASN 37 HA ASN 37 25.464 11.276 2.833 281 HB2 ASN 37 2HB ASN 37 28.062 12.459 3.836 282 HB3 ASN 37 3HB ASN 37 26.710 13.340 3.130 283 HD21 ASN 37 1HD2 ASN 37 28.021 11.920 5.951 284 HD22 ASN 37 2HD2 ASN 37 26.750 12.359 7.036 285 H ASP 38 H ASP 38 29.018 11.300 2.598 286 HA ASP 38 HA ASP 38 28.744 11.122 -0.321 287 HB2 ASP 38 2HB ASP 38 31.091 11.959 -0.369 288 HB3 ASP 38 3HB ASP 38 29.968 13.074 0.407 289 H ASP 39 H ASP 39 28.393 8.833 -0.273 290 HA ASP 39 HA ASP 39 30.602 7.287 -0.857 291 HB2 ASP 39 2HB ASP 39 31.435 7.259 1.320 292 HB3 ASP 39 3HB ASP 39 29.828 7.215 2.040 293 H LEU 40 H LEU 40 27.354 7.437 0.404 294 HA LEU 40 HA LEU 40 26.423 4.884 0.144 295 HB2 LEU 40 2HB LEU 40 25.288 7.349 0.496 296 HB3 LEU 40 3HB LEU 40 24.628 6.856 -1.062 297 HG LEU 40 HG LEU 40 23.710 4.836 -0.040 298 HD11 LEU 40 1HD1 LEU 40 23.978 5.557 2.720 299 HD12 LEU 40 2HD1 LEU 40 25.572 5.379 1.987 300 HD13 LEU 40 3HD1 LEU 40 24.413 4.052 1.910 301 HD21 LEU 40 3HD2 LEU 40 22.128 6.517 -0.063 302 HD22 LEU 40 1HD2 LEU 40 23.021 7.520 1.080 303 HD23 LEU 40 2HD2 LEU 40 22.171 6.081 1.646 304 H SER 41 H SER 41 25.147 3.856 -1.573 305 HA SER 41 HA SER 41 26.538 4.074 -4.114 306 HB2 SER 41 2HB SER 41 26.318 1.833 -3.514 307 HB3 SER 41 3HB SER 41 24.688 2.059 -2.879 308 HG SER 41 HG SER 41 23.877 2.000 -4.886 309 H SER 42 H SER 42 23.121 3.892 -3.098 310 HA SER 42 HA SER 42 22.258 6.101 -4.576 311 HB2 SER 42 2HB SER 42 22.934 4.311 -6.396 312 HB3 SER 42 3HB SER 42 21.358 3.626 -5.999 313 HG SER 42 HG SER 42 21.378 5.216 -7.735 314 H ALA 43 H ALA 43 19.714 5.040 -5.415 315 HA ALA 43 HA ALA 43 18.517 3.724 -3.150 316 HB1 ALA 43 1HB ALA 43 17.397 5.436 -2.161 317 HB2 ALA 43 2HB ALA 43 18.811 6.330 -2.720 318 HB3 ALA 43 3HB ALA 43 17.311 6.387 -3.645 319 H ARG 44 H ARG 44 16.611 2.760 -3.674 320 HA ARG 44 HA ARG 44 15.692 3.125 -6.438 321 HB2 ARG 44 2HB ARG 44 16.405 0.853 -5.763 322 HB3 ARG 44 3HB ARG 44 15.156 0.847 -4.525 323 HG2 ARG 44 2HG ARG 44 14.051 1.484 -7.111 324 HG3 ARG 44 3HG ARG 44 14.930 -0.046 -7.144 325 HD2 ARG 44 2HD ARG 44 13.643 -0.703 -5.084 326 HD3 ARG 44 3HD ARG 44 12.656 0.736 -5.332 327 HE ARG 44 HE ARG 44 12.508 -1.728 -6.782 328 HH11 ARG 44 1HH1 ARG 44 11.967 1.706 -6.969 329 HH12 ARG 44 2HH1 ARG 44 10.772 1.582 -8.217 330 HH21 ARG 44 1HH2 ARG 44 10.936 -1.904 -8.425 331 HH22 ARG 44 2HH2 ARG 44 10.185 -0.472 -9.044 332 H VAL 45 H VAL 45 14.035 4.480 -6.626 333 HA VAL 45 HA VAL 45 12.025 4.586 -4.485 334 HB VAL 45 HB VAL 45 12.911 6.751 -4.928 335 HG11 VAL 45 1HG1 VAL 45 12.842 7.760 -7.192 336 HG12 VAL 45 2HG1 VAL 45 13.927 6.373 -7.080 337 HG13 VAL 45 3HG1 VAL 45 12.343 6.197 -7.837 338 HG21 VAL 45 3HG2 VAL 45 10.469 6.609 -4.616 339 HG22 VAL 45 1HG2 VAL 45 10.942 7.985 -5.613 340 HG23 VAL 45 2HG2 VAL 45 10.266 6.541 -6.366 341 HA PRO 46 HA PRO 46 9.247 2.365 -7.133 342 HB2 PRO 46 2HB PRO 46 7.017 2.721 -5.627 343 HB3 PRO 46 3HB PRO 46 8.293 1.576 -5.198 344 HG2 PRO 46 2HG PRO 46 7.800 4.340 -4.159 345 HG3 PRO 46 3HG PRO 46 8.247 2.874 -3.268 346 HD2 PRO 46 2HD PRO 46 10.049 4.785 -3.924 347 HD3 PRO 46 3HD PRO 46 10.476 3.065 -3.821 348 H SER 47 H SER 47 6.814 2.824 -7.828 349 HA SER 47 HA SER 47 6.905 5.300 -9.291 350 HB2 SER 47 2HB SER 47 4.446 3.613 -9.267 351 HB3 SER 47 3HB SER 47 5.249 4.412 -10.619 352 HG SER 47 HG SER 47 5.570 2.195 -10.773 353 H GLY 48 H GLY 48 5.564 7.067 -9.093 354 HA2 GLY 48 2HA GLY 48 3.965 8.461 -8.155 355 HA3 GLY 48 3HA GLY 48 3.424 7.116 -7.161 356 H LEU 49 H LEU 49 6.727 8.320 -7.326 357 HA LEU 49 HA LEU 49 6.460 9.741 -4.814 358 HB2 LEU 49 2HB LEU 49 6.829 7.275 -4.315 359 HB3 LEU 49 3HB LEU 49 8.441 7.487 -4.996 360 HG LEU 49 HG LEU 49 7.465 9.154 -2.694 361 HD11 LEU 49 1HD1 LEU 49 7.304 7.199 -1.575 362 HD12 LEU 49 2HD1 LEU 49 9.057 7.367 -1.490 363 HD13 LEU 49 3HD1 LEU 49 8.330 6.331 -2.718 364 HD21 LEU 49 3HD2 LEU 49 10.212 8.600 -2.579 365 HD22 LEU 49 1HD2 LEU 49 9.436 10.129 -2.989 366 HD23 LEU 49 2HD2 LEU 49 9.860 8.987 -4.264 367 H ARG 50 H ARG 50 7.851 11.404 -4.691 368 HA ARG 50 HA ARG 50 10.105 11.447 -6.589 369 HB2 ARG 50 2HB ARG 50 8.303 12.965 -7.300 370 HB3 ARG 50 3HB ARG 50 8.373 13.776 -5.741 371 HG2 ARG 50 2HG ARG 50 10.950 13.663 -7.096 372 HG3 ARG 50 3HG ARG 50 9.711 14.533 -8.003 373 HD2 ARG 50 2HD ARG 50 9.279 15.569 -5.573 374 HD3 ARG 50 3HD ARG 50 10.994 15.187 -5.417 375 HE ARG 50 HE ARG 50 10.819 16.493 -7.798 376 HH11 ARG 50 1HH1 ARG 50 9.846 17.223 -4.537 377 HH12 ARG 50 2HH1 ARG 50 10.043 18.934 -4.722 378 HH21 ARG 50 1HH2 ARG 50 11.083 18.744 -8.055 379 HH22 ARG 50 2HH2 ARG 50 10.746 19.798 -6.724 380 H LEU 51 H LEU 51 12.008 12.485 -5.916 381 HA LEU 51 HA LEU 51 12.169 13.451 -3.176 382 HB2 LEU 51 2HB LEU 51 14.203 11.979 -2.811 383 HB3 LEU 51 3HB LEU 51 12.623 11.204 -2.725 384 HG LEU 51 HG LEU 51 13.510 10.942 -5.390 385 HD11 LEU 51 1HD1 LEU 51 15.608 9.870 -3.539 386 HD12 LEU 51 2HD1 LEU 51 15.763 11.465 -4.274 387 HD13 LEU 51 3HD1 LEU 51 15.649 10.032 -5.295 388 HD21 LEU 51 3HD2 LEU 51 12.960 9.184 -3.057 389 HD22 LEU 51 1HD2 LEU 51 13.785 8.486 -4.452 390 HD23 LEU 51 2HD2 LEU 51 12.198 9.230 -4.648 391 H GLU 52 H GLU 52 13.993 14.739 -2.760 392 HA GLU 52 HA GLU 52 15.477 15.539 -5.177 393 HB2 GLU 52 2HB GLU 52 14.502 17.149 -2.826 394 HB3 GLU 52 3HB GLU 52 15.768 17.741 -3.892 395 HG2 GLU 52 2HG GLU 52 14.264 17.626 -5.788 396 HG3 GLU 52 3HG GLU 52 12.996 16.958 -4.762 397 H VAL 53 H VAL 53 17.678 15.817 -5.065 398 HA VAL 53 HA VAL 53 18.962 14.725 -2.657 399 HB VAL 53 HB VAL 53 20.189 15.040 -5.396 400 HG11 VAL 53 1HG1 VAL 53 21.054 13.786 -2.826 401 HG12 VAL 53 2HG1 VAL 53 21.650 13.153 -4.361 402 HG13 VAL 53 3HG1 VAL 53 21.955 14.834 -3.921 403 HG21 VAL 53 3HG2 VAL 53 18.475 12.907 -4.249 404 HG22 VAL 53 1HG2 VAL 53 18.633 13.462 -5.916 405 HG23 VAL 53 2HG2 VAL 53 19.862 12.407 -5.217 406 H PHE 54 H PHE 54 19.900 16.123 -1.335 407 HA PHE 54 HA PHE 54 20.774 18.718 -2.400 408 HB2 PHE 54 2HB PHE 54 20.437 18.046 0.518 409 HB3 PHE 54 3HB PHE 54 20.470 19.635 -0.240 410 HD1 PHE 54 HD1 PHE 54 18.577 19.563 -2.340 411 HD2 PHE 54 HD2 PHE 54 18.388 17.643 1.454 412 HE1 PHE 54 HE1 PHE 54 16.120 19.552 -2.472 413 HE2 PHE 54 HE2 PHE 54 15.931 17.628 1.328 414 HZ PHE 54 HZ PHE 54 14.794 18.583 -0.637 415 H GLN 55 H GLN 55 22.810 18.213 -3.150 416 HA GLN 55 HA GLN 55 24.719 16.600 -1.990 417 HB2 GLN 55 2HB GLN 55 25.086 19.141 -3.580 418 HB3 GLN 55 3HB GLN 55 26.396 18.037 -3.181 419 HG2 GLN 55 2HG GLN 55 24.011 16.902 -4.520 420 HG3 GLN 55 3HG GLN 55 25.083 17.922 -5.478 421 HE21 GLN 55 1HE2 GLN 55 24.626 14.876 -3.999 422 HE22 GLN 55 2HE2 GLN 55 26.117 14.156 -4.491 423 H HIS 56 H HIS 56 24.255 20.092 -1.486 424 HA HIS 56 HA HIS 56 26.245 20.137 0.614 425 HB2 HIS 56 2HB HIS 56 25.418 22.024 -1.142 426 HB3 HIS 56 3HB HIS 56 24.451 22.464 0.262 427 HD1 HIS 56 HD1 HIS 56 27.785 22.808 -1.163 428 HD2 HIS 56 HD2 HIS 56 26.081 23.031 2.620 429 HE1 HIS 56 HE1 HIS 56 29.478 23.994 0.268 430 H ASN 57 H ASN 57 25.781 20.889 2.782 431 HA ASN 57 HA ASN 57 23.255 19.791 3.758 432 HB2 ASN 57 2HB ASN 57 24.297 19.742 5.940 433 HB3 ASN 57 3HB ASN 57 25.406 19.038 4.767 434 HD21 ASN 57 1HD2 ASN 57 27.242 20.207 4.142 435 HD22 ASN 57 2HD2 ASN 57 27.860 21.500 5.107 436 H ASN 58 H ASN 58 23.199 22.310 2.411 437 HA ASN 58 HA ASN 58 21.853 23.859 4.434 438 HB2 ASN 58 2HB ASN 58 24.454 24.454 4.273 439 HB3 ASN 58 3HB ASN 58 23.878 25.445 2.935 440 HD21 ASN 58 1HD2 ASN 58 23.475 24.792 6.365 441 HD22 ASN 58 2HD2 ASN 58 22.890 26.363 6.783 442 H PHE 59 H PHE 59 21.416 22.487 1.797 443 HA PHE 59 HA PHE 59 20.294 22.805 -0.161 444 HB2 PHE 59 2HB PHE 59 19.100 24.805 1.717 445 HB3 PHE 59 3HB PHE 59 18.595 24.809 0.030 446 HD1 PHE 59 HD1 PHE 59 18.663 22.857 3.141 447 HD2 PHE 59 HD2 PHE 59 17.213 23.081 -0.855 448 HE1 PHE 59 HE1 PHE 59 17.082 21.032 3.616 449 HE2 PHE 59 HE2 PHE 59 15.629 21.257 -0.386 450 HZ PHE 59 HZ PHE 59 15.562 20.230 1.852 451 H LYS 60 H LYS 60 22.880 24.107 0.090 452 HA LYS 60 HA LYS 60 22.573 26.598 -1.394 453 HB2 LYS 60 2HB LYS 60 24.198 26.614 0.396 454 HB3 LYS 60 3HB LYS 60 25.005 25.200 -0.269 455 HG2 LYS 60 2HG LYS 60 24.794 27.522 -2.069 456 HG3 LYS 60 3HG LYS 60 25.838 27.721 -0.660 457 HD2 LYS 60 2HD LYS 60 26.615 25.275 -1.498 458 HD3 LYS 60 3HD LYS 60 26.163 26.008 -3.039 459 HE2 LYS 60 2HE LYS 60 28.076 27.134 -3.070 460 HE3 LYS 60 3HE LYS 60 27.645 27.921 -1.553 461 HZ1 LYS 60 3HZ LYS 60 29.801 26.570 -1.658 462 HZ2 LYS 60 1HZ LYS 60 28.802 25.207 -1.568 463 HZ3 LYS 60 2HZ LYS 60 28.789 26.348 -0.320 464 H GLY 61 H GLY 61 24.657 23.720 -1.773 465 HA2 GLY 61 2HA GLY 61 25.359 24.109 -4.417 466 HA3 GLY 61 3HA GLY 61 25.255 22.533 -3.647 467 H VAL 62 H VAL 62 24.722 22.645 -6.274 468 HA VAL 62 HA VAL 62 22.050 23.173 -6.990 469 HB VAL 62 HB VAL 62 23.744 22.945 -8.698 470 HG11 VAL 62 1HG1 VAL 62 24.510 20.669 -7.218 471 HG12 VAL 62 2HG1 VAL 62 24.060 20.111 -8.830 472 HG13 VAL 62 3HG1 VAL 62 25.293 21.358 -8.639 473 HG21 VAL 62 3HG2 VAL 62 22.316 22.113 -10.219 474 HG22 VAL 62 1HG2 VAL 62 22.195 20.557 -9.397 475 HG23 VAL 62 2HG2 VAL 62 21.223 21.923 -8.848 476 H ARG 63 H ARG 63 20.245 22.152 -6.454 477 HA ARG 63 HA ARG 63 20.388 19.553 -5.158 478 HB2 ARG 63 2HB ARG 63 18.030 19.921 -4.615 479 HB3 ARG 63 3HB ARG 63 19.009 21.305 -4.146 480 HG2 ARG 63 2HG ARG 63 18.247 22.564 -6.035 481 HG3 ARG 63 3HG ARG 63 17.408 21.156 -6.689 482 HD2 ARG 63 2HD ARG 63 15.594 21.693 -5.531 483 HD3 ARG 63 3HD ARG 63 16.507 21.553 -4.029 484 HE ARG 63 HE ARG 63 16.531 23.830 -3.896 485 HH11 ARG 63 1HH1 ARG 63 15.854 22.914 -7.186 486 HH12 ARG 63 2HH1 ARG 63 15.557 24.537 -7.714 487 HH21 ARG 63 1HH2 ARG 63 16.143 25.971 -4.580 488 HH22 ARG 63 2HH2 ARG 63 15.722 26.275 -6.231 489 H ASP 64 H ASP 64 19.459 17.685 -5.910 490 HA ASP 64 HA ASP 64 18.696 17.708 -8.749 491 HB2 ASP 64 2HB ASP 64 19.378 15.218 -7.217 492 HB3 ASP 64 3HB ASP 64 19.521 15.532 -8.945 493 H PHE 65 H PHE 65 17.187 15.756 -9.280 494 HA PHE 65 HA PHE 65 15.178 15.285 -7.232 495 HB2 PHE 65 2HB PHE 65 13.361 15.976 -8.892 496 HB3 PHE 65 3HB PHE 65 14.252 17.275 -8.106 497 HD1 PHE 65 HD2 PHE 65 15.937 18.556 -9.358 498 HD2 PHE 65 HD1 PHE 65 13.495 15.621 -11.240 499 HE1 PHE 65 HE2 PHE 65 16.515 19.490 -11.559 500 HE2 PHE 65 HE1 PHE 65 14.071 16.550 -13.445 501 HZ PHE 65 HZ PHE 65 15.582 18.488 -13.606 502 H TYR 66 H TYR 66 14.773 13.186 -7.289 503 HA TYR 66 HA TYR 66 14.944 11.786 -9.875 504 HB2 TYR 66 2HB TYR 66 16.065 11.197 -7.284 505 HB3 TYR 66 3HB TYR 66 15.008 9.887 -7.797 506 HD1 TYR 66 HD2 TYR 66 15.376 9.632 -10.609 507 HD2 TYR 66 HD1 TYR 66 18.269 10.631 -7.653 508 HE1 TYR 66 HE2 TYR 66 17.156 8.761 -12.066 509 HE2 TYR 66 HE1 TYR 66 20.057 9.764 -9.102 510 HH TYR 66 HH TYR 66 19.477 8.872 -12.403 511 H THR 67 H THR 67 13.497 9.924 -10.138 512 HA THR 67 HA THR 67 11.141 9.790 -8.472 513 HB THR 67 HB THR 67 9.670 10.088 -10.600 514 HG1 THR 67 HG1 THR 67 10.540 11.343 -12.181 515 HG21 THR 67 3HG2 THR 67 9.728 11.548 -8.550 516 HG22 THR 67 1HG2 THR 67 9.265 12.370 -10.039 517 HG23 THR 67 2HG2 THR 67 10.895 12.565 -9.395 518 H SER 68 H SER 68 13.354 8.081 -9.558 519 HA SER 68 HA SER 68 11.719 5.791 -10.174 520 HB2 SER 68 2HB SER 68 12.508 5.305 -12.332 521 HB3 SER 68 3HB SER 68 12.198 7.040 -12.390 522 HG SER 68 HG SER 68 14.270 6.346 -13.258 523 H ASP 69 H ASP 69 12.990 3.788 -10.251 524 HA ASP 69 HA ASP 69 14.712 3.484 -8.140 525 HB2 ASP 69 2HB ASP 69 15.420 1.350 -9.208 526 HB3 ASP 69 3HB ASP 69 13.673 1.573 -9.200 527 H ALA 70 H ALA 70 16.558 4.522 -7.786 528 HA ALA 70 HA ALA 70 18.368 5.032 -10.042 529 HB1 ALA 70 1HB ALA 70 17.706 6.479 -7.588 530 HB2 ALA 70 2HB ALA 70 19.433 6.407 -7.940 531 HB3 ALA 70 3HB ALA 70 18.317 7.077 -9.131 532 H ALA 71 H ALA 71 19.932 3.589 -10.305 533 HA ALA 71 HA ALA 71 20.818 1.934 -8.094 534 HB1 ALA 71 1HB ALA 71 22.061 1.815 -10.802 535 HB2 ALA 71 2HB ALA 71 21.723 0.515 -9.658 536 HB3 ALA 71 3HB ALA 71 20.408 1.239 -10.583 537 H GLU 72 H GLU 72 21.762 4.836 -9.597 538 HA GLU 72 HA GLU 72 24.334 4.739 -8.176 539 HB2 GLU 72 2HB GLU 72 24.262 4.585 -10.853 540 HB3 GLU 72 3HB GLU 72 24.197 6.333 -10.677 541 HG2 GLU 72 2HG GLU 72 26.226 5.258 -8.965 542 HG3 GLU 72 3HG GLU 72 26.454 4.679 -10.614 543 H LEU 73 H LEU 73 24.757 6.463 -6.930 544 HA LEU 73 HA LEU 73 22.837 8.283 -6.179 545 HB2 LEU 73 2HB LEU 73 25.784 8.143 -5.926 546 HB3 LEU 73 3HB LEU 73 25.026 9.698 -5.592 547 HG LEU 73 HG LEU 73 24.455 7.092 -4.180 548 HD11 LEU 73 1HD1 LEU 73 26.641 8.452 -3.775 549 HD12 LEU 73 2HD1 LEU 73 25.701 7.860 -2.405 550 HD13 LEU 73 3HD1 LEU 73 25.570 9.547 -2.902 551 HD21 LEU 73 3HD2 LEU 73 23.442 9.392 -2.838 552 HD22 LEU 73 1HD2 LEU 73 22.565 7.988 -3.445 553 HD23 LEU 73 2HD2 LEU 73 22.827 9.383 -4.492 554 H SER 74 H SER 74 22.739 10.622 -6.460 555 HA SER 74 HA SER 74 22.372 11.433 -9.056 556 HB2 SER 74 2HB SER 74 22.852 12.929 -6.506 557 HB3 SER 74 3HB SER 74 22.787 13.820 -8.026 558 HG SER 74 HG SER 74 20.728 12.558 -8.322 559 H ARG 75 H ARG 75 24.984 12.877 -7.127 560 HA ARG 75 HA ARG 75 26.710 12.718 -9.511 561 HB2 ARG 75 2HB ARG 75 25.792 15.018 -8.215 562 HB3 ARG 75 3HB ARG 75 27.452 14.829 -7.667 563 HG2 ARG 75 2HG ARG 75 28.322 15.077 -9.794 564 HG3 ARG 75 3HG ARG 75 26.802 14.638 -10.576 565 HD2 ARG 75 2HD ARG 75 25.858 16.725 -10.198 566 HD3 ARG 75 3HD ARG 75 26.978 17.102 -8.889 567 HE ARG 75 HE ARG 75 27.401 17.504 -11.711 568 HH11 ARG 75 1HH1 ARG 75 28.907 17.131 -8.594 569 HH12 ARG 75 2HH1 ARG 75 30.365 17.945 -9.056 570 HH21 ARG 75 1HH2 ARG 75 29.315 18.578 -12.331 571 HH22 ARG 75 2HH2 ARG 75 30.595 18.769 -11.181 572 H ASP 76 H ASP 76 29.067 13.583 -8.415 573 HA ASP 76 HA ASP 76 30.175 11.295 -7.333 574 HB2 ASP 76 2HB ASP 76 31.065 13.909 -7.985 575 HB3 ASP 76 3HB ASP 76 31.632 13.559 -6.354 576 H ASN 77 H ASN 77 31.074 10.893 -5.200 577 HA ASN 77 HA ASN 77 29.253 10.880 -3.163 578 HB2 ASN 77 2HB ASN 77 32.256 11.044 -2.823 579 HB3 ASN 77 3HB ASN 77 31.110 10.423 -1.638 580 HD21 ASN 77 1HD2 ASN 77 32.935 9.761 -4.452 581 HD22 ASN 77 2HD2 ASN 77 32.465 8.109 -4.643 582 H ASP 78 H ASP 78 28.174 12.632 -2.487 583 HA ASP 78 HA ASP 78 29.339 14.509 -0.784 584 HB2 ASP 78 2HB ASP 78 29.944 15.158 -3.386 585 HB3 ASP 78 3HB ASP 78 28.498 16.119 -3.087 586 H ALA 79 H ALA 79 27.030 12.831 -0.971 587 HA ALA 79 HA ALA 79 24.767 14.632 -1.285 588 HB1 ALA 79 1HB ALA 79 23.388 12.748 -1.164 589 HB2 ALA 79 2HB ALA 79 24.817 12.186 -2.033 590 HB3 ALA 79 3HB ALA 79 24.611 11.794 -0.326 591 H SER 80 H SER 80 24.795 16.077 0.384 592 HA SER 80 HA SER 80 25.301 15.287 3.094 593 HB2 SER 80 2HB SER 80 24.425 17.846 1.776 594 HB3 SER 80 3HB SER 80 24.414 17.685 3.532 595 HG SER 80 HG SER 80 26.395 18.545 2.576 596 H SER 81 H SER 81 22.446 17.013 1.863 597 HA SER 81 HA SER 81 20.787 15.315 3.608 598 HB2 SER 81 2HB SER 81 20.724 17.608 4.354 599 HB3 SER 81 3HB SER 81 20.391 18.180 2.720 600 HG SER 81 HG SER 81 18.466 18.103 3.850 601 H VAL 82 H VAL 82 18.508 15.051 2.855 602 HA VAL 82 HA VAL 82 18.059 15.267 0.000 603 HB VAL 82 HB VAL 82 17.428 12.807 -0.133 604 HG11 VAL 82 1HG1 VAL 82 20.361 12.971 0.286 605 HG12 VAL 82 2HG1 VAL 82 19.444 12.325 -1.077 606 HG13 VAL 82 3HG1 VAL 82 19.638 14.068 -0.890 607 HG21 VAL 82 3HG2 VAL 82 19.396 12.008 1.831 608 HG22 VAL 82 1HG2 VAL 82 18.046 12.867 2.574 609 HG23 VAL 82 2HG2 VAL 82 17.746 11.433 1.592 610 H ARG 83 H ARG 83 15.884 15.052 -0.591 611 HA ARG 83 HA ARG 83 14.002 14.915 1.673 612 HB2 ARG 83 2HB ARG 83 14.066 17.172 0.851 613 HB3 ARG 83 3HB ARG 83 13.908 16.626 -0.813 614 HG2 ARG 83 2HG ARG 83 11.649 15.687 -0.134 615 HG3 ARG 83 3HG ARG 83 11.830 16.624 1.351 616 HD2 ARG 83 2HD ARG 83 12.284 18.615 -0.215 617 HD3 ARG 83 3HD ARG 83 11.588 17.597 -1.475 618 HE ARG 83 HE ARG 83 9.872 17.687 0.769 619 HH11 ARG 83 1HH1 ARG 83 10.978 19.622 -1.906 620 HH12 ARG 83 2HH1 ARG 83 9.530 20.570 -1.988 621 HH21 ARG 83 1HH2 ARG 83 7.960 18.928 0.670 622 HH22 ARG 83 2HH2 ARG 83 7.814 20.174 -0.522 623 H VAL 84 H VAL 84 12.120 13.756 1.423 624 HA VAL 84 HA VAL 84 11.704 12.374 -1.135 625 HB VAL 84 HB VAL 84 11.363 10.252 -0.095 626 HG11 VAL 84 1HG1 VAL 84 13.748 11.185 -0.483 627 HG12 VAL 84 2HG1 VAL 84 13.841 11.217 1.279 628 HG13 VAL 84 3HG1 VAL 84 13.549 9.694 0.438 629 HG21 VAL 84 3HG2 VAL 84 10.384 10.417 1.937 630 HG22 VAL 84 1HG2 VAL 84 12.048 10.274 2.504 631 HG23 VAL 84 2HG2 VAL 84 11.292 11.862 2.379 632 H SER 85 H SER 85 9.609 12.117 -1.723 633 HA SER 85 HA SER 85 7.470 12.416 0.207 634 HB2 SER 85 2HB SER 85 7.644 14.350 -2.113 635 HB3 SER 85 3HB SER 85 6.421 14.318 -0.843 636 HG SER 85 HG SER 85 8.082 14.828 0.651 637 H LYS 86 H LYS 86 5.464 11.686 -0.551 638 HA LYS 86 HA LYS 86 5.656 9.969 -2.905 639 HB2 LYS 86 2HB LYS 86 3.517 10.136 -0.774 640 HB3 LYS 86 3HB LYS 86 3.583 8.943 -2.064 641 HG2 LYS 86 2HG LYS 86 4.695 7.642 -0.654 642 HG3 LYS 86 3HG LYS 86 6.059 8.747 -0.837 643 HD2 LYS 86 2HD LYS 86 5.678 8.528 1.492 644 HD3 LYS 86 3HD LYS 86 5.050 10.112 1.032 645 HE2 LYS 86 2HE LYS 86 3.017 9.572 1.750 646 HE3 LYS 86 3HE LYS 86 3.003 8.117 0.755 647 HZ1 LYS 86 3HZ LYS 86 3.220 6.907 2.578 648 HZ2 LYS 86 1HZ LYS 86 3.220 8.304 3.533 649 HZ3 LYS 86 2HZ LYS 86 4.680 7.674 2.955 650 H MET 87 H MET 87 4.611 10.343 -4.763 651 HA MET 87 HA MET 87 2.894 12.719 -4.900 652 HB2 MET 87 2HB MET 87 5.026 12.030 -6.447 653 HB3 MET 87 3HB MET 87 3.698 11.397 -7.410 654 HG2 MET 87 2HG MET 87 2.904 13.957 -6.613 655 HG3 MET 87 3HG MET 87 4.594 14.100 -7.090 656 HE1 MET 87 3HE MET 87 0.976 14.222 -8.526 657 HE2 MET 87 1HE MET 87 2.142 15.523 -8.280 658 HE3 MET 87 2HE MET 87 1.692 15.041 -9.916 659 H GLU 88 H GLU 88 1.475 12.263 -7.173 660 HA GLU 88 HA GLU 88 -0.452 11.329 -7.938 661 HB2 GLU 88 2HB GLU 88 1.337 9.137 -7.402 662 HB3 GLU 88 3HB GLU 88 -0.321 8.649 -7.079 663 HG2 GLU 88 2HG GLU 88 -0.453 10.020 -9.490 664 HG3 GLU 88 3HG GLU 88 1.024 9.063 -9.596 665 H THR 89 H THR 89 -0.097 12.200 -5.040 666 HA THR 89 HA THR 89 -2.171 10.634 -3.715 667 HB THR 89 HB THR 89 -0.172 11.263 -2.417 668 HG1 THR 89 HG1 THR 89 -2.456 11.164 -1.533 669 HG21 THR 89 3HG2 THR 89 0.195 13.454 -3.561 670 HG22 THR 89 1HG2 THR 89 0.272 13.543 -1.802 671 HG23 THR 89 2HG2 THR 89 -1.169 14.102 -2.651 672 H THR 90 H THR 90 -1.644 13.800 -5.116 673 HA THR 90 HA THR 90 -3.055 15.512 -5.628 674 HB THR 90 HB THR 90 -5.563 14.054 -5.165 675 HG1 THR 90 HG1 THR 90 -3.440 12.905 -6.585 676 HG21 THR 90 3HG2 THR 90 -5.541 14.627 -7.771 677 HG22 THR 90 1HG2 THR 90 -4.291 15.752 -7.241 678 HG23 THR 90 2HG2 THR 90 -5.909 15.837 -6.543 679 H ASN 91 H ASN 91 -5.247 16.596 -4.774 680 HA ASN 91 HA ASN 91 -5.692 16.268 -1.950 681 HB2 ASN 91 2HB ASN 91 -5.109 18.810 -1.634 682 HB3 ASN 91 3HB ASN 91 -3.841 17.593 -1.530 683 HD21 ASN 91 1HD2 ASN 91 -5.303 20.034 -3.564 684 HD22 ASN 91 2HD2 ASN 91 -3.942 20.257 -4.603
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