NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494644 | 2l5q | 17280 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 0.070 -10.595 11.872 2 H2 MET 1 H2 MET 1 -1.203 -9.525 12.185 3 H3 MET 1 H3 MET 1 0.289 -8.931 11.644 4 HA MET 1 HA MET 1 0.016 -10.061 9.541 5 HB2 MET 1 HB2 MET 1 -2.702 -10.797 10.662 6 HB3 MET 1 HB3 MET 1 -2.189 -11.061 9.002 7 HG2 MET 1 HG2 MET 1 -1.128 -12.380 11.486 8 HG3 MET 1 HG3 MET 1 -2.026 -13.123 10.166 9 HE1 MET 1 HE1 MET 1 0.642 -12.958 7.247 10 HE2 MET 1 HE2 MET 1 -0.603 -11.762 7.613 11 HE3 MET 1 HE3 MET 1 -0.983 -13.483 7.689 12 H LEU 2 H LEU 2 -2.182 -9.419 8.019 13 HA LEU 2 HA LEU 2 -2.140 -6.551 8.099 14 HB2 LEU 2 HB2 LEU 2 -3.609 -8.499 6.318 15 HB3 LEU 2 HB3 LEU 2 -3.718 -6.760 6.138 16 HG LEU 2 HG LEU 2 -1.211 -8.413 5.819 17 HD11 LEU 2 HD11 LEU 2 -2.923 -6.980 3.793 18 HD12 LEU 2 HD12 LEU 2 -2.821 -8.727 4.012 19 HD13 LEU 2 HD13 LEU 2 -1.410 -7.823 3.460 20 HD21 LEU 2 HD21 LEU 2 -1.679 -5.459 5.411 21 HD22 LEU 2 HD22 LEU 2 -0.202 -6.335 5.006 22 HD23 LEU 2 HD23 LEU 2 -0.709 -6.192 6.690 23 H LYS 3 H LYS 3 -3.182 -5.721 9.768 24 HA LYS 3 HA LYS 3 -6.067 -5.713 9.854 25 HB2 LYS 3 HB2 LYS 3 -4.457 -7.198 11.881 26 HB3 LYS 3 HB3 LYS 3 -5.744 -6.179 12.500 27 HG2 LYS 3 HG2 LYS 3 -7.394 -7.415 11.293 28 HG3 LYS 3 HG3 LYS 3 -6.151 -8.326 10.432 29 HD2 LYS 3 HD2 LYS 3 -5.414 -9.327 12.518 30 HD3 LYS 3 HD3 LYS 3 -6.607 -8.382 13.410 31 HE2 LYS 3 HE2 LYS 3 -7.317 -10.338 11.236 32 HE3 LYS 3 HE3 LYS 3 -7.242 -10.770 12.942 33 HZ1 LYS 3 HZ1 LYS 3 -9.489 -10.261 12.289 34 HZ2 LYS 3 HZ2 LYS 3 -9.026 -8.724 11.739 35 HZ3 LYS 3 HZ3 LYS 3 -8.933 -9.097 13.387 36 H THR 4 H THR 4 -2.974 -4.769 11.185 37 HA THR 4 HA THR 4 -4.147 -2.696 12.849 38 HB THR 4 HB THR 4 -1.616 -2.339 13.403 39 HG1 THR 4 HG1 THR 4 -1.187 -5.000 12.946 40 HG21 THR 4 HG21 THR 4 -1.757 -4.111 15.099 41 HG22 THR 4 HG22 THR 4 -3.131 -4.812 14.243 42 HG23 THR 4 HG23 THR 4 -3.268 -3.210 14.968 43 H ILE 5 H ILE 5 -2.173 -2.940 9.963 44 HA ILE 5 HA ILE 5 -1.686 -0.099 9.888 45 HB ILE 5 HB ILE 5 -1.023 -2.282 7.909 46 HG12 ILE 5 HG12 ILE 5 0.271 -2.314 10.016 47 HG13 ILE 5 HG13 ILE 5 1.279 -1.968 8.618 48 HG21 ILE 5 HG21 ILE 5 0.378 -0.620 6.739 49 HG22 ILE 5 HG22 ILE 5 -0.313 0.643 7.760 50 HG23 ILE 5 HG23 ILE 5 -1.347 -0.258 6.648 51 HD11 ILE 5 HD11 ILE 5 1.263 0.412 9.208 52 HD12 ILE 5 HD12 ILE 5 1.912 -0.590 10.509 53 HD13 ILE 5 HD13 ILE 5 0.270 0.046 10.621 54 H LEU 6 H LEU 6 -3.127 1.258 9.289 55 HA LEU 6 HA LEU 6 -5.180 0.542 7.324 56 HB2 LEU 6 HB2 LEU 6 -4.940 2.737 9.376 57 HB3 LEU 6 HB3 LEU 6 -6.017 2.928 8.013 58 HG LEU 6 HG LEU 6 -7.247 2.236 9.991 59 HD11 LEU 6 HD11 LEU 6 -8.404 0.285 9.113 60 HD12 LEU 6 HD12 LEU 6 -7.098 0.039 7.952 61 HD13 LEU 6 HD13 LEU 6 -8.095 1.492 7.865 62 HD21 LEU 6 HD21 LEU 6 -5.542 1.041 11.212 63 HD22 LEU 6 HD22 LEU 6 -5.522 -0.229 9.988 64 HD23 LEU 6 HD23 LEU 6 -6.959 0.016 10.981 65 H SER 7 H SER 7 -5.193 1.441 5.363 66 HA SER 7 HA SER 7 -2.843 3.006 4.602 67 HB2 SER 7 HB2 SER 7 -3.468 2.270 2.292 68 HB3 SER 7 HB3 SER 7 -3.126 0.934 3.391 69 HG SER 7 HG SER 7 -5.757 1.879 2.989 70 H ILE 8 H ILE 8 -3.020 5.041 3.868 71 HA ILE 8 HA ILE 8 -5.739 6.187 3.881 72 HB ILE 8 HB ILE 8 -3.219 7.598 4.811 73 HG12 ILE 8 HG12 ILE 8 -3.782 5.804 6.391 74 HG13 ILE 8 HG13 ILE 8 -4.074 7.383 7.105 75 HG21 ILE 8 HG21 ILE 8 -6.127 8.394 5.009 76 HG22 ILE 8 HG22 ILE 8 -4.912 9.115 3.951 77 HG23 ILE 8 HG23 ILE 8 -4.770 9.282 5.702 78 HD11 ILE 8 HD11 ILE 8 -5.822 5.806 7.701 79 HD12 ILE 8 HD12 ILE 8 -6.168 5.522 5.995 80 HD13 ILE 8 HD13 ILE 8 -6.477 7.107 6.705 81 H ALA 9 H ALA 9 -6.309 7.080 2.047 82 HA ALA 9 HA ALA 9 -4.239 7.580 0.017 83 HB1 ALA 9 HB1 ALA 9 -6.016 7.346 -1.637 84 HB2 ALA 9 HB2 ALA 9 -7.202 7.153 -0.347 85 HB3 ALA 9 HB3 ALA 9 -5.948 5.935 -0.581 86 H GLY 10 H GLY 10 -5.398 9.367 2.276 87 HA2 GLY 10 HA2 GLY 10 -6.268 11.637 0.631 88 HA3 GLY 10 HA3 GLY 10 -6.503 11.480 2.365 89 H LYS 11 H LYS 11 -5.474 13.083 3.279 90 HA LYS 11 HA LYS 11 -3.077 14.233 2.210 91 HB2 LYS 11 HB2 LYS 11 -4.671 15.693 3.259 92 HB3 LYS 11 HB3 LYS 11 -4.607 14.783 4.759 93 HG2 LYS 11 HG2 LYS 11 -2.248 15.470 5.030 94 HG3 LYS 11 HG3 LYS 11 -2.403 16.464 3.579 95 HD2 LYS 11 HD2 LYS 11 -4.082 17.824 4.623 96 HD3 LYS 11 HD3 LYS 11 -4.143 16.752 6.023 97 HE2 LYS 11 HE2 LYS 11 -1.682 18.276 5.187 98 HE3 LYS 11 HE3 LYS 11 -2.852 18.877 6.360 99 HZ1 LYS 11 HZ1 LYS 11 -1.235 16.396 6.608 100 HZ2 LYS 11 HZ2 LYS 11 -2.410 16.908 7.716 101 HZ3 LYS 11 HZ3 LYS 11 -1.013 17.835 7.477 102 HA PRO 12 HA PRO 12 -0.766 12.024 5.763 103 HB2 PRO 12 HB2 PRO 12 -2.021 10.137 7.276 104 HB3 PRO 12 HB3 PRO 12 -1.875 11.831 7.743 105 HG2 PRO 12 HG2 PRO 12 -4.205 10.356 6.665 106 HG3 PRO 12 HG3 PRO 12 -4.154 11.720 7.793 107 HD2 PRO 12 HD2 PRO 12 -4.778 11.870 5.100 108 HD3 PRO 12 HD3 PRO 12 -4.279 13.227 6.123 109 H GLY 13 H GLY 13 -1.011 9.093 6.445 110 HA2 GLY 13 HA2 GLY 13 -0.646 8.098 3.722 111 HA3 GLY 13 HA3 GLY 13 0.773 8.173 4.746 112 H LEU 14 H LEU 14 0.551 6.978 6.878 113 HA LEU 14 HA LEU 14 -1.256 4.681 6.670 114 HB2 LEU 14 HB2 LEU 14 1.729 4.536 7.113 115 HB3 LEU 14 HB3 LEU 14 0.641 3.216 7.489 116 HG LEU 14 HG LEU 14 0.962 4.380 4.716 117 HD11 LEU 14 HD11 LEU 14 3.050 3.384 5.458 118 HD12 LEU 14 HD12 LEU 14 2.278 2.390 4.222 119 HD13 LEU 14 HD13 LEU 14 2.196 1.912 5.918 120 HD21 LEU 14 HD21 LEU 14 -0.301 1.816 5.678 121 HD22 LEU 14 HD22 LEU 14 -0.156 2.342 4.000 122 HD23 LEU 14 HD23 LEU 14 -1.172 3.246 5.123 123 H TYR 15 H TYR 15 -1.975 3.877 8.584 124 HA TYR 15 HA TYR 15 -0.990 5.129 11.054 125 HB2 TYR 15 HB2 TYR 15 -3.834 4.964 10.091 126 HB3 TYR 15 HB3 TYR 15 -3.465 5.057 11.807 127 HD1 TYR 15 HD1 TYR 15 -1.657 7.019 12.329 128 HD2 TYR 15 HD2 TYR 15 -4.393 6.950 9.084 129 HE1 TYR 15 HE1 TYR 15 -1.565 9.465 12.211 130 HE2 TYR 15 HE2 TYR 15 -4.300 9.401 8.950 131 HH TYR 15 HH TYR 15 -1.970 11.247 10.622 132 H LYS 16 H LYS 16 -1.494 3.959 12.995 133 HA LYS 16 HA LYS 16 -2.150 1.105 12.590 134 HB2 LYS 16 HB2 LYS 16 -0.435 2.461 14.677 135 HB3 LYS 16 HB3 LYS 16 -0.997 0.805 14.829 136 HG2 LYS 16 HG2 LYS 16 0.269 0.113 12.949 137 HG3 LYS 16 HG3 LYS 16 0.657 1.784 12.522 138 HD2 LYS 16 HD2 LYS 16 1.905 2.042 14.587 139 HD3 LYS 16 HD3 LYS 16 1.465 0.407 15.076 140 HE2 LYS 16 HE2 LYS 16 2.702 -0.506 13.196 141 HE3 LYS 16 HE3 LYS 16 3.111 1.125 12.659 142 HZ1 LYS 16 HZ1 LYS 16 3.839 0.063 15.325 143 HZ2 LYS 16 HZ2 LYS 16 4.402 1.481 14.588 144 HZ3 LYS 16 HZ3 LYS 16 4.864 -0.031 13.983 145 H LEU 17 H LEU 17 -4.166 0.632 13.281 146 HA LEU 17 HA LEU 17 -5.524 2.519 15.016 147 HB2 LEU 17 HB2 LEU 17 -6.470 1.330 12.916 148 HB3 LEU 17 HB3 LEU 17 -6.717 -0.034 13.981 149 HG LEU 17 HG LEU 17 -7.875 2.610 14.777 150 HD11 LEU 17 HD11 LEU 17 -8.477 2.370 12.416 151 HD12 LEU 17 HD12 LEU 17 -9.878 2.147 13.465 152 HD13 LEU 17 HD13 LEU 17 -9.089 0.747 12.737 153 HD21 LEU 17 HD21 LEU 17 -8.824 -0.245 15.023 154 HD22 LEU 17 HD22 LEU 17 -9.630 1.177 15.688 155 HD23 LEU 17 HD23 LEU 17 -8.044 0.699 16.294 156 H ILE 18 H ILE 18 -5.618 2.360 17.104 157 HA ILE 18 HA ILE 18 -4.990 -0.159 18.442 158 HB ILE 18 HB ILE 18 -5.278 2.643 19.579 159 HG12 ILE 18 HG12 ILE 18 -2.744 1.883 20.172 160 HG13 ILE 18 HG13 ILE 18 -2.972 1.030 18.652 161 HG21 ILE 18 HG21 ILE 18 -5.976 1.017 21.241 162 HG22 ILE 18 HG22 ILE 18 -4.425 1.730 21.687 163 HG23 ILE 18 HG23 ILE 18 -4.485 0.106 21.001 164 HD11 ILE 18 HD11 ILE 18 -3.297 3.994 19.071 165 HD12 ILE 18 HD12 ILE 18 -3.505 3.131 17.546 166 HD13 ILE 18 HD13 ILE 18 -1.920 3.190 18.317 167 H SER 19 H SER 19 -7.536 2.370 18.460 168 HA SER 19 HA SER 19 -9.525 0.367 19.104 169 HB2 SER 19 HB2 SER 19 -10.389 1.730 21.046 170 HB3 SER 19 HB3 SER 19 -8.845 0.928 21.337 171 HG SER 19 HG SER 19 -9.314 3.659 20.755 172 H GLN 20 H GLN 20 -11.676 1.057 18.722 173 HA GLN 20 HA GLN 20 -11.845 3.425 16.985 174 HB2 GLN 20 HB2 GLN 20 -13.646 1.006 17.201 175 HB3 GLN 20 HB3 GLN 20 -13.967 2.391 16.169 176 HG2 GLN 20 HG2 GLN 20 -11.834 1.939 14.991 177 HG3 GLN 20 HG3 GLN 20 -11.658 0.475 15.962 178 HE21 GLN 20 HE21 GLN 20 -13.430 2.038 13.418 179 HE22 GLN 20 HE22 GLN 20 -14.237 0.621 12.838 180 H GLY 21 H GLY 21 -13.092 5.115 17.479 181 HA2 GLY 21 HA2 GLY 21 -15.056 4.827 19.665 182 HA3 GLY 21 HA3 GLY 21 -14.044 6.258 19.496 183 H LYS 22 H LYS 22 -16.760 6.566 19.581 184 HA LYS 22 HA LYS 22 -17.747 6.716 16.838 185 HB2 LYS 22 HB2 LYS 22 -19.032 6.904 19.534 186 HB3 LYS 22 HB3 LYS 22 -19.852 7.600 18.143 187 HG2 LYS 22 HG2 LYS 22 -18.946 4.736 18.358 188 HG3 LYS 22 HG3 LYS 22 -20.593 5.310 18.643 189 HD2 LYS 22 HD2 LYS 22 -20.691 6.152 16.342 190 HD3 LYS 22 HD3 LYS 22 -19.049 5.573 16.061 191 HE2 LYS 22 HE2 LYS 22 -19.802 3.279 16.496 192 HE3 LYS 22 HE3 LYS 22 -21.445 3.875 16.735 193 HZ1 LYS 22 HZ1 LYS 22 -21.174 3.026 14.510 194 HZ2 LYS 22 HZ2 LYS 22 -19.862 4.059 14.230 195 HZ3 LYS 22 HZ3 LYS 22 -21.414 4.702 14.446 196 H ASN 23 H ASN 23 -15.846 8.333 16.777 197 HA ASN 23 HA ASN 23 -16.808 10.872 16.112 198 HB2 ASN 23 HB2 ASN 23 -16.859 11.198 18.627 199 HB3 ASN 23 HB3 ASN 23 -15.135 10.890 18.654 200 HD21 ASN 23 HD21 ASN 23 -13.741 12.501 18.122 201 HD22 ASN 23 HD22 ASN 23 -14.234 14.108 17.724 202 H MET 24 H MET 24 -14.133 8.973 17.325 203 HA MET 24 HA MET 24 -12.392 9.709 15.141 204 HB2 MET 24 HB2 MET 24 -10.573 10.343 16.878 205 HB3 MET 24 HB3 MET 24 -11.786 11.549 16.469 206 HG2 MET 24 HG2 MET 24 -13.047 10.915 18.487 207 HG3 MET 24 HG3 MET 24 -11.767 9.787 18.911 208 HE1 MET 24 HE1 MET 24 -9.761 10.328 20.186 209 HE2 MET 24 HE2 MET 24 -8.911 11.874 20.123 210 HE3 MET 24 HE3 MET 24 -9.126 10.923 18.651 211 H LEU 25 H LEU 25 -10.806 8.238 14.802 212 HA LEU 25 HA LEU 25 -10.838 5.835 16.462 213 HB2 LEU 25 HB2 LEU 25 -9.355 6.340 13.868 214 HB3 LEU 25 HB3 LEU 25 -9.434 4.814 14.713 215 HG LEU 25 HG LEU 25 -10.901 4.458 12.989 216 HD11 LEU 25 HD11 LEU 25 -12.086 3.965 15.016 217 HD12 LEU 25 HD12 LEU 25 -13.201 4.573 13.791 218 HD13 LEU 25 HD13 LEU 25 -12.675 5.626 15.105 219 HD21 LEU 25 HD21 LEU 25 -10.810 6.645 11.987 220 HD22 LEU 25 HD22 LEU 25 -11.881 7.289 13.231 221 HD23 LEU 25 HD23 LEU 25 -12.482 6.092 12.083 222 H ILE 26 H ILE 26 -9.132 5.239 17.699 223 HA ILE 26 HA ILE 26 -7.057 7.243 18.126 224 HB ILE 26 HB ILE 26 -7.554 4.610 19.560 225 HG12 ILE 26 HG12 ILE 26 -9.338 6.253 19.933 226 HG13 ILE 26 HG13 ILE 26 -8.409 5.982 21.401 227 HG21 ILE 26 HG21 ILE 26 -5.991 5.425 21.271 228 HG22 ILE 26 HG22 ILE 26 -5.631 6.829 20.266 229 HG23 ILE 26 HG23 ILE 26 -5.206 5.211 19.706 230 HD11 ILE 26 HD11 ILE 26 -7.216 8.087 21.024 231 HD12 ILE 26 HD12 ILE 26 -8.961 8.332 21.120 232 HD13 ILE 26 HD13 ILE 26 -8.152 8.348 19.552 233 H VAL 27 H VAL 27 -5.449 7.206 16.717 234 HA VAL 27 HA VAL 27 -4.282 4.616 15.987 235 HB VAL 27 HB VAL 27 -3.801 5.501 13.695 236 HG11 VAL 27 HG11 VAL 27 -5.662 3.972 14.021 237 HG12 VAL 27 HG12 VAL 27 -6.053 5.169 12.785 238 HG13 VAL 27 HG13 VAL 27 -6.726 5.325 14.408 239 HG21 VAL 27 HG21 VAL 27 -5.722 7.685 14.480 240 HG22 VAL 27 HG22 VAL 27 -5.103 7.392 12.854 241 HG23 VAL 27 HG23 VAL 27 -4.001 7.877 14.144 242 H GLU 28 H GLU 28 -2.091 4.785 15.138 243 HA GLU 28 HA GLU 28 -0.570 7.044 16.266 244 HB2 GLU 28 HB2 GLU 28 -0.101 4.904 17.375 245 HB3 GLU 28 HB3 GLU 28 0.207 4.142 15.823 246 HG2 GLU 28 HG2 GLU 28 2.116 5.772 15.544 247 HG3 GLU 28 HG3 GLU 28 1.869 6.210 17.234 248 H THR 29 H THR 29 0.740 8.181 14.852 249 HA THR 29 HA THR 29 0.762 7.612 12.053 250 HB THR 29 HB THR 29 2.766 9.197 12.018 251 HG1 THR 29 HG1 THR 29 3.056 8.745 14.401 252 HG21 THR 29 HG21 THR 29 0.197 10.231 13.205 253 HG22 THR 29 HG22 THR 29 0.525 9.978 11.491 254 HG23 THR 29 HG23 THR 29 1.424 11.201 12.388 255 H VAL 30 H VAL 30 1.982 6.185 10.995 256 HA VAL 30 HA VAL 30 4.067 4.780 12.435 257 HB VAL 30 HB VAL 30 3.563 4.333 9.507 258 HG11 VAL 30 HG11 VAL 30 5.398 3.179 10.595 259 HG12 VAL 30 HG12 VAL 30 4.140 2.037 10.122 260 HG13 VAL 30 HG13 VAL 30 4.293 2.534 11.808 261 HG21 VAL 30 HG21 VAL 30 1.853 3.215 11.730 262 HG22 VAL 30 HG22 VAL 30 1.807 2.707 10.042 263 HG23 VAL 30 HG23 VAL 30 1.324 4.345 10.483 264 H ASP 31 H ASP 31 5.770 6.015 12.742 265 HA ASP 31 HA ASP 31 7.128 7.470 10.652 266 HB2 ASP 31 HB2 ASP 31 5.048 8.835 11.211 267 HB3 ASP 31 HB3 ASP 31 5.651 8.982 12.851 268 H ALA 32 H ALA 32 8.828 9.015 11.984 269 HA ALA 32 HA ALA 32 10.209 7.338 13.865 270 HB1 ALA 32 HB1 ALA 32 10.790 10.182 13.048 271 HB2 ALA 32 HB2 ALA 32 11.423 8.735 12.263 272 HB3 ALA 32 HB3 ALA 32 11.876 9.103 13.927 273 H ALA 33 H ALA 33 8.037 10.093 14.067 274 HA ALA 33 HA ALA 33 8.601 10.675 16.827 275 HB1 ALA 33 HB1 ALA 33 6.277 11.532 15.104 276 HB2 ALA 33 HB2 ALA 33 7.789 12.414 15.317 277 HB3 ALA 33 HB3 ALA 33 6.697 12.195 16.684 278 H LYS 34 H LYS 34 6.011 9.067 15.053 279 HA LYS 34 HA LYS 34 4.248 7.762 15.599 280 HB2 LYS 34 HB2 LYS 34 5.884 6.931 18.002 281 HB3 LYS 34 HB3 LYS 34 4.493 6.081 17.348 282 HG2 LYS 34 HG2 LYS 34 5.800 5.742 15.242 283 HG3 LYS 34 HG3 LYS 34 7.198 6.418 16.081 284 HD2 LYS 34 HD2 LYS 34 5.641 3.969 16.907 285 HD3 LYS 34 HD3 LYS 34 7.231 3.979 16.146 286 HE2 LYS 34 HE2 LYS 34 8.198 5.054 18.066 287 HE3 LYS 34 HE3 LYS 34 6.609 5.255 18.803 288 HZ1 LYS 34 HZ1 LYS 34 7.998 2.689 18.275 289 HZ2 LYS 34 HZ2 LYS 34 6.416 2.825 18.870 290 HZ3 LYS 34 HZ3 LYS 34 7.717 3.398 19.787 291 H LYS 35 H LYS 35 3.258 9.930 16.017 292 HA LYS 35 HA LYS 35 2.602 10.383 18.817 293 HB2 LYS 35 HB2 LYS 35 1.497 12.447 18.004 294 HB3 LYS 35 HB3 LYS 35 3.187 12.355 17.556 295 HG2 LYS 35 HG2 LYS 35 2.554 11.682 15.293 296 HG3 LYS 35 HG3 LYS 35 0.854 11.810 15.748 297 HD2 LYS 35 HD2 LYS 35 2.832 14.079 15.907 298 HD3 LYS 35 HD3 LYS 35 1.744 13.804 14.544 299 HE2 LYS 35 HE2 LYS 35 -0.190 14.072 15.988 300 HE3 LYS 35 HE3 LYS 35 0.856 14.231 17.399 301 HZ1 LYS 35 HZ1 LYS 35 0.077 16.378 16.603 302 HZ2 LYS 35 HZ2 LYS 35 0.789 16.094 15.091 303 HZ3 LYS 35 HZ3 LYS 35 1.762 16.252 16.469 304 H ARG 36 H ARG 36 0.429 10.591 19.545 305 HA ARG 36 HA ARG 36 -1.384 8.717 18.266 306 HB2 ARG 36 HB2 ARG 36 -1.331 10.080 20.931 307 HB3 ARG 36 HB3 ARG 36 -2.873 9.515 20.305 308 HG2 ARG 36 HG2 ARG 36 -2.102 7.777 21.653 309 HG3 ARG 36 HG3 ARG 36 -1.743 7.256 20.009 310 HD2 ARG 36 HD2 ARG 36 0.582 8.192 20.365 311 HD3 ARG 36 HD3 ARG 36 0.161 8.333 22.074 312 HE ARG 36 HE ARG 36 -0.213 5.889 22.037 313 HH11 ARG 36 HH11 ARG 36 1.880 7.365 19.649 314 HH12 ARG 36 HH12 ARG 36 2.629 5.863 19.194 315 HH21 ARG 36 HH21 ARG 36 0.807 3.926 21.469 316 HH22 ARG 36 HH22 ARG 36 2.031 3.925 20.231 317 H VAL 37 H VAL 37 -2.730 9.320 16.810 318 HA VAL 37 HA VAL 37 -3.561 12.146 16.681 319 HB VAL 37 HB VAL 37 -3.338 10.314 14.276 320 HG11 VAL 37 HG11 VAL 37 -4.718 12.303 13.986 321 HG12 VAL 37 HG12 VAL 37 -3.251 12.392 13.007 322 HG13 VAL 37 HG13 VAL 37 -3.368 13.315 14.505 323 HG21 VAL 37 HG21 VAL 37 -1.114 10.469 15.250 324 HG22 VAL 37 HG22 VAL 37 -1.233 12.229 15.256 325 HG23 VAL 37 HG23 VAL 37 -1.205 11.352 13.725 326 HA PRO 38 HA PRO 38 -7.738 10.345 16.568 327 HB2 PRO 38 HB2 PRO 38 -8.598 12.995 15.723 328 HB3 PRO 38 HB3 PRO 38 -9.030 12.095 17.172 329 HG2 PRO 38 HG2 PRO 38 -7.474 14.306 17.239 330 HG3 PRO 38 HG3 PRO 38 -7.308 12.976 18.398 331 HD2 PRO 38 HD2 PRO 38 -5.649 13.620 15.999 332 HD3 PRO 38 HD3 PRO 38 -5.146 13.017 17.593 333 H ALA 39 H ALA 39 -8.134 9.139 14.838 334 HA ALA 39 HA ALA 39 -7.833 10.212 12.140 335 HB1 ALA 39 HB1 ALA 39 -6.984 7.960 12.578 336 HB2 ALA 39 HB2 ALA 39 -8.275 7.943 11.376 337 HB3 ALA 39 HB3 ALA 39 -8.606 7.438 13.035 338 H TYR 40 H TYR 40 -9.513 10.442 10.718 339 HA TYR 40 HA TYR 40 -12.223 10.074 11.796 340 HB2 TYR 40 HB2 TYR 40 -11.306 12.458 10.149 341 HB3 TYR 40 HB3 TYR 40 -12.926 12.191 10.782 342 HD1 TYR 40 HD1 TYR 40 -13.180 12.111 13.355 343 HD2 TYR 40 HD2 TYR 40 -9.725 13.650 11.410 344 HE1 TYR 40 HE1 TYR 40 -12.580 13.325 15.394 345 HE2 TYR 40 HE2 TYR 40 -9.117 14.869 13.456 346 HH TYR 40 HH TYR 40 -10.626 14.272 16.456 347 H ALA 41 H ALA 41 -13.628 9.152 10.374 348 HA ALA 41 HA ALA 41 -12.430 7.954 8.038 349 HB1 ALA 41 HB1 ALA 41 -14.453 6.619 7.899 350 HB2 ALA 41 HB2 ALA 41 -15.219 7.622 9.132 351 HB3 ALA 41 HB3 ALA 41 -13.827 6.622 9.548 352 H HIS 42 H HIS 42 -12.132 9.935 6.932 353 HA HIS 42 HA HIS 42 -14.234 10.553 5.057 354 HB2 HIS 42 HB2 HIS 42 -14.620 12.085 7.059 355 HB3 HIS 42 HB3 HIS 42 -13.057 12.811 6.707 356 HD1 HIS 42 HD1 HIS 42 -16.552 12.537 5.364 357 HD2 HIS 42 HD2 HIS 42 -13.039 14.618 4.592 358 HE1 HIS 42 HE1 HIS 42 -17.169 14.318 3.703 359 HE2 HIS 42 HE2 HIS 42 -14.988 15.420 3.097 360 H ASP 43 H ASP 43 -10.995 10.820 6.290 361 HA ASP 43 HA ASP 43 -9.931 12.155 3.948 362 HB2 ASP 43 HB2 ASP 43 -9.254 12.170 6.597 363 HB3 ASP 43 HB3 ASP 43 -8.067 11.043 5.951 364 H LYS 44 H LYS 44 -11.081 9.683 3.372 365 HA LYS 44 HA LYS 44 -10.860 7.729 2.312 366 HB2 LYS 44 HB2 LYS 44 -8.149 8.827 1.541 367 HB3 LYS 44 HB3 LYS 44 -8.891 7.406 0.826 368 HG2 LYS 44 HG2 LYS 44 -9.492 8.934 -0.733 369 HG3 LYS 44 HG3 LYS 44 -10.857 9.134 0.365 370 HD2 LYS 44 HD2 LYS 44 -9.511 10.979 1.472 371 HD3 LYS 44 HD3 LYS 44 -8.413 10.874 0.095 372 HE2 LYS 44 HE2 LYS 44 -9.944 12.626 -0.364 373 HE3 LYS 44 HE3 LYS 44 -10.399 11.263 -1.386 374 HZ1 LYS 44 HZ1 LYS 44 -11.717 12.109 1.142 375 HZ2 LYS 44 HZ2 LYS 44 -12.099 10.691 0.300 376 HZ3 LYS 44 HZ3 LYS 44 -12.362 12.198 -0.422 377 H VAL 45 H VAL 45 -10.818 7.034 4.662 378 HA VAL 45 HA VAL 45 -8.343 5.729 5.450 379 HB VAL 45 HB VAL 45 -11.004 5.777 6.903 380 HG11 VAL 45 HG11 VAL 45 -9.607 3.867 7.536 381 HG12 VAL 45 HG12 VAL 45 -9.737 5.029 8.857 382 HG13 VAL 45 HG13 VAL 45 -8.266 4.959 7.885 383 HG21 VAL 45 HG21 VAL 45 -9.966 7.439 8.377 384 HG22 VAL 45 HG22 VAL 45 -10.064 8.016 6.713 385 HG23 VAL 45 HG23 VAL 45 -8.527 7.439 7.357 386 H ILE 46 H ILE 46 -7.943 3.986 4.379 387 HA ILE 46 HA ILE 46 -10.054 1.966 3.955 388 HB ILE 46 HB ILE 46 -7.514 2.403 2.332 389 HG12 ILE 46 HG12 ILE 46 -9.085 4.256 1.956 390 HG13 ILE 46 HG13 ILE 46 -8.925 3.250 0.521 391 HG21 ILE 46 HG21 ILE 46 -9.862 0.596 1.783 392 HG22 ILE 46 HG22 ILE 46 -8.246 0.091 2.286 393 HG23 ILE 46 HG23 ILE 46 -8.483 0.854 0.713 394 HD11 ILE 46 HD11 ILE 46 -11.064 2.176 1.050 395 HD12 ILE 46 HD12 ILE 46 -11.230 3.923 0.864 396 HD13 ILE 46 HD13 ILE 46 -11.216 3.204 2.475 397 H SER 47 H SER 47 -9.374 -0.255 4.400 398 HA SER 47 HA SER 47 -7.182 -0.534 6.274 399 HB2 SER 47 HB2 SER 47 -8.857 -2.713 4.989 400 HB3 SER 47 HB3 SER 47 -7.926 -2.820 6.483 401 HG SER 47 HG SER 47 -10.318 -1.397 5.985 402 H LEU 48 H LEU 48 -5.089 -1.108 5.687 403 HA LEU 48 HA LEU 48 -4.461 -1.823 2.979 404 HB2 LEU 48 HB2 LEU 48 -2.851 -0.672 4.545 405 HB3 LEU 48 HB3 LEU 48 -2.684 -2.199 5.392 406 HG LEU 48 HG LEU 48 -1.809 -3.237 3.314 407 HD11 LEU 48 HD11 LEU 48 -1.137 -1.815 1.445 408 HD12 LEU 48 HD12 LEU 48 -1.907 -0.429 2.218 409 HD13 LEU 48 HD13 LEU 48 -2.886 -1.793 1.676 410 HD21 LEU 48 HD21 LEU 48 -0.268 -2.353 4.960 411 HD22 LEU 48 HD22 LEU 48 -0.343 -0.766 4.194 412 HD23 LEU 48 HD23 LEU 48 0.359 -2.132 3.327 413 H ALA 49 H ALA 49 -5.497 -3.488 5.767 414 HA ALA 49 HA ALA 49 -4.972 -6.160 5.167 415 HB1 ALA 49 HB1 ALA 49 -7.426 -4.934 6.423 416 HB2 ALA 49 HB2 ALA 49 -5.945 -5.392 7.264 417 HB3 ALA 49 HB3 ALA 49 -6.952 -6.631 6.518 418 H ASP 50 H ASP 50 -7.116 -3.850 3.687 419 HA ASP 50 HA ASP 50 -8.775 -5.843 2.371 420 HB2 ASP 50 HB2 ASP 50 -9.804 -3.833 3.381 421 HB3 ASP 50 HB3 ASP 50 -8.872 -2.816 2.294 422 H ILE 51 H ILE 51 -6.135 -3.634 1.624 423 HA ILE 51 HA ILE 51 -6.698 -3.416 -1.155 424 HB ILE 51 HB ILE 51 -3.986 -2.932 0.095 425 HG12 ILE 51 HG12 ILE 51 -5.733 -1.598 1.261 426 HG13 ILE 51 HG13 ILE 51 -4.603 -0.598 0.353 427 HG21 ILE 51 HG21 ILE 51 -5.292 -1.872 -2.417 428 HG22 ILE 51 HG22 ILE 51 -3.989 -3.058 -2.337 429 HG23 ILE 51 HG23 ILE 51 -3.703 -1.400 -1.810 430 HD11 ILE 51 HD11 ILE 51 -6.885 0.206 0.129 431 HD12 ILE 51 HD12 ILE 51 -7.383 -1.356 -0.523 432 HD13 ILE 51 HD13 ILE 51 -6.254 -0.345 -1.425 433 H ALA 52 H ALA 52 -6.479 -4.804 -2.624 434 HA ALA 52 HA ALA 52 -4.192 -6.582 -2.801 435 HB1 ALA 52 HB1 ALA 52 -7.044 -7.597 -2.936 436 HB2 ALA 52 HB2 ALA 52 -5.873 -7.969 -1.670 437 HB3 ALA 52 HB3 ALA 52 -5.602 -8.540 -3.318 438 H MET 53 H MET 53 -4.128 -7.551 -5.024 439 HA MET 53 HA MET 53 -5.627 -6.023 -7.007 440 HB2 MET 53 HB2 MET 53 -2.622 -6.334 -6.977 441 HB3 MET 53 HB3 MET 53 -3.527 -5.931 -8.427 442 HG2 MET 53 HG2 MET 53 -4.410 -3.932 -7.154 443 HG3 MET 53 HG3 MET 53 -3.191 -4.297 -5.934 444 HE1 MET 53 HE1 MET 53 0.104 -3.974 -8.087 445 HE2 MET 53 HE2 MET 53 -0.866 -5.434 -7.884 446 HE3 MET 53 HE3 MET 53 -0.559 -4.380 -6.503 447 H TYR 54 H TYR 54 -6.319 -7.245 -8.603 448 HA TYR 54 HA TYR 54 -5.569 -10.071 -8.536 449 HB2 TYR 54 HB2 TYR 54 -7.891 -8.781 -9.999 450 HB3 TYR 54 HB3 TYR 54 -7.663 -10.495 -9.667 451 HD1 TYR 54 HD2 TYR 54 -7.911 -11.338 -7.343 452 HD2 TYR 54 HD1 TYR 54 -8.864 -7.319 -8.363 453 HE1 TYR 54 HE2 TYR 54 -9.132 -11.099 -5.228 454 HE2 TYR 54 HE1 TYR 54 -10.083 -7.070 -6.236 455 HH TYR 54 HH TYR 54 -9.820 -9.346 -3.703 456 H THR 55 H THR 55 -4.266 -10.826 -10.032 457 HA THR 55 HA THR 55 -3.783 -9.217 -12.448 458 HB THR 55 HB THR 55 -2.037 -8.811 -10.747 459 HG1 THR 55 HG1 THR 55 -0.928 -8.602 -12.533 460 HG21 THR 55 HG21 THR 55 -1.438 -11.766 -10.910 461 HG22 THR 55 HG22 THR 55 -2.129 -10.913 -9.528 462 HG23 THR 55 HG23 THR 55 -0.480 -10.563 -10.043 463 H ASP 56 H ASP 56 -1.948 -10.936 -13.713 464 HA ASP 56 HA ASP 56 -3.531 -12.939 -14.883 465 HB2 ASP 56 HB2 ASP 56 -1.811 -12.277 -16.244 466 HB3 ASP 56 HB3 ASP 56 -0.652 -12.176 -14.931 467 H ALA 57 H ALA 57 -1.263 -13.092 -12.202 468 HA ALA 57 HA ALA 57 -1.509 -15.940 -11.841 469 HB1 ALA 57 HB1 ALA 57 -0.189 -15.551 -9.818 470 HB2 ALA 57 HB2 ALA 57 -0.383 -13.809 -10.014 471 HB3 ALA 57 HB3 ALA 57 0.530 -14.734 -11.206 472 H GLU 58 H GLU 58 -1.907 -16.212 -9.119 473 HA GLU 58 HA GLU 58 -4.619 -15.974 -8.589 474 HB2 GLU 58 HB2 GLU 58 -2.374 -16.052 -6.560 475 HB3 GLU 58 HB3 GLU 58 -4.051 -16.477 -6.261 476 HG2 GLU 58 HG2 GLU 58 -2.108 -17.935 -8.038 477 HG3 GLU 58 HG3 GLU 58 -2.725 -18.474 -6.479 478 H GLU 59 H GLU 59 -5.306 -14.843 -6.349 479 HA GLU 59 HA GLU 59 -5.152 -12.030 -6.848 480 HB2 GLU 59 HB2 GLU 59 -6.611 -11.834 -4.839 481 HB3 GLU 59 HB3 GLU 59 -7.268 -12.853 -6.105 482 HG2 GLU 59 HG2 GLU 59 -6.533 -14.842 -4.821 483 HG3 GLU 59 HG3 GLU 59 -6.010 -13.766 -3.527 484 H VAL 60 H VAL 60 -3.641 -10.740 -6.108 485 HA VAL 60 HA VAL 60 -1.935 -11.805 -3.970 486 HB VAL 60 HB VAL 60 -1.071 -9.723 -5.996 487 HG11 VAL 60 HG11 VAL 60 0.232 -9.844 -3.953 488 HG12 VAL 60 HG12 VAL 60 1.159 -10.425 -5.339 489 HG13 VAL 60 HG13 VAL 60 0.461 -11.577 -4.199 490 HG21 VAL 60 HG21 VAL 60 -0.607 -12.685 -6.126 491 HG22 VAL 60 HG22 VAL 60 0.135 -11.471 -7.167 492 HG23 VAL 60 HG23 VAL 60 -1.609 -11.742 -7.231 493 HA PRO 61 HA PRO 61 -3.416 -8.215 -1.570 494 HB2 PRO 61 HB2 PRO 61 -1.161 -9.016 0.152 495 HB3 PRO 61 HB3 PRO 61 -2.864 -8.801 0.562 496 HG2 PRO 61 HG2 PRO 61 -1.702 -11.238 0.401 497 HG3 PRO 61 HG3 PRO 61 -3.410 -10.958 0.026 498 HD2 PRO 61 HD2 PRO 61 -1.120 -11.441 -1.796 499 HD3 PRO 61 HD3 PRO 61 -2.831 -11.867 -1.993 500 H LEU 62 H LEU 62 -2.386 -6.185 -0.988 501 HA LEU 62 HA LEU 62 -0.575 -5.379 -2.984 502 HB2 LEU 62 HB2 LEU 62 -2.269 -3.959 -1.571 503 HB3 LEU 62 HB3 LEU 62 -0.874 -3.716 -0.536 504 HG LEU 62 HG LEU 62 0.375 -2.937 -2.604 505 HD11 LEU 62 HD11 LEU 62 -0.984 -2.180 -4.493 506 HD12 LEU 62 HD12 LEU 62 -2.417 -2.885 -3.745 507 HD13 LEU 62 HD13 LEU 62 -1.095 -3.926 -4.273 508 HD21 LEU 62 HD21 LEU 62 -1.999 -1.355 -1.688 509 HD22 LEU 62 HD22 LEU 62 -0.659 -0.717 -2.644 510 HD23 LEU 62 HD23 LEU 62 -0.369 -1.329 -1.011 511 H SER 63 H SER 63 -0.067 -6.467 0.278 512 HA SER 63 HA SER 63 2.532 -5.493 0.710 513 HB2 SER 63 HB2 SER 63 1.284 -8.022 1.794 514 HB3 SER 63 HB3 SER 63 2.644 -7.138 2.490 515 HG SER 63 HG SER 63 1.298 -5.772 3.353 516 H GLU 64 H GLU 64 1.387 -8.362 -1.004 517 HA GLU 64 HA GLU 64 4.011 -9.554 -1.056 518 HB2 GLU 64 HB2 GLU 64 1.643 -10.493 -2.658 519 HB3 GLU 64 HB3 GLU 64 2.994 -11.435 -2.044 520 HG2 GLU 64 HG2 GLU 64 0.915 -10.133 -0.302 521 HG3 GLU 64 HG3 GLU 64 0.819 -11.795 -0.873 522 H VAL 65 H VAL 65 1.939 -7.788 -3.356 523 HA VAL 65 HA VAL 65 3.890 -7.943 -5.448 524 HB VAL 65 HB VAL 65 2.656 -6.005 -6.507 525 HG11 VAL 65 HG11 VAL 65 1.080 -8.475 -5.827 526 HG12 VAL 65 HG12 VAL 65 2.244 -8.310 -7.142 527 HG13 VAL 65 HG13 VAL 65 0.746 -7.377 -7.165 528 HG21 VAL 65 HG21 VAL 65 0.409 -5.523 -5.658 529 HG22 VAL 65 HG22 VAL 65 1.666 -5.031 -4.521 530 HG23 VAL 65 HG23 VAL 65 0.745 -6.508 -4.235 531 H LEU 66 H LEU 66 3.511 -5.866 -2.668 532 HA LEU 66 HA LEU 66 5.331 -3.823 -3.392 533 HB2 LEU 66 HB2 LEU 66 4.847 -5.064 -0.676 534 HB3 LEU 66 HB3 LEU 66 5.817 -3.636 -0.948 535 HG LEU 66 HG LEU 66 2.889 -3.791 -1.613 536 HD11 LEU 66 HD11 LEU 66 2.519 -2.578 0.472 537 HD12 LEU 66 HD12 LEU 66 4.227 -2.767 0.873 538 HD13 LEU 66 HD13 LEU 66 3.186 -4.187 0.749 539 HD21 LEU 66 HD21 LEU 66 3.001 -1.381 -1.616 540 HD22 LEU 66 HD22 LEU 66 4.152 -2.045 -2.777 541 HD23 LEU 66 HD23 LEU 66 4.720 -1.434 -1.221 542 H GLU 67 H GLU 67 5.722 -7.000 -1.899 543 HA GLU 67 HA GLU 67 8.479 -7.113 -1.479 544 HB2 GLU 67 HB2 GLU 67 6.496 -8.729 -0.878 545 HB3 GLU 67 HB3 GLU 67 6.880 -9.480 -2.412 546 HG2 GLU 67 HG2 GLU 67 8.928 -9.116 -0.262 547 HG3 GLU 67 HG3 GLU 67 7.849 -10.505 -0.300 548 H ALA 68 H ALA 68 6.571 -7.910 -4.355 549 HA ALA 68 HA ALA 68 8.660 -9.075 -5.845 550 HB1 ALA 68 HB1 ALA 68 6.135 -7.788 -6.855 551 HB2 ALA 68 HB2 ALA 68 6.293 -9.455 -6.303 552 HB3 ALA 68 HB3 ALA 68 7.163 -8.919 -7.739 553 H VAL 69 H VAL 69 7.371 -5.727 -5.910 554 HA VAL 69 HA VAL 69 9.304 -4.950 -7.896 555 HB VAL 69 HB VAL 69 8.477 -2.603 -7.547 556 HG11 VAL 69 HG11 VAL 69 7.569 -4.023 -9.280 557 HG12 VAL 69 HG12 VAL 69 6.310 -2.995 -8.594 558 HG13 VAL 69 HG13 VAL 69 6.404 -4.697 -8.141 559 HG21 VAL 69 HG21 VAL 69 6.389 -2.282 -6.301 560 HG22 VAL 69 HG22 VAL 69 7.709 -2.763 -5.234 561 HG23 VAL 69 HG23 VAL 69 6.486 -3.942 -5.712 562 H LYS 70 H LYS 70 9.129 -4.825 -4.410 563 HA LYS 70 HA LYS 70 11.302 -3.032 -4.022 564 HB2 LYS 70 HB2 LYS 70 9.525 -3.423 -2.335 565 HB3 LYS 70 HB3 LYS 70 10.207 -5.021 -2.033 566 HG2 LYS 70 HG2 LYS 70 11.086 -3.771 -0.311 567 HG3 LYS 70 HG3 LYS 70 12.384 -3.697 -1.501 568 HD2 LYS 70 HD2 LYS 70 10.254 -1.578 -1.231 569 HD3 LYS 70 HD3 LYS 70 11.800 -1.511 -0.389 570 HE2 LYS 70 HE2 LYS 70 13.007 -1.309 -2.411 571 HE3 LYS 70 HE3 LYS 70 11.614 -1.786 -3.377 572 HZ1 LYS 70 HZ1 LYS 70 10.529 0.265 -2.788 573 HZ2 LYS 70 HZ2 LYS 70 12.033 0.588 -3.499 574 HZ3 LYS 70 HZ3 LYS 70 11.841 0.718 -1.818 575 H LYS 71 H LYS 71 11.064 -6.419 -4.545 576 HA LYS 71 HA LYS 71 13.487 -7.512 -3.855 577 HB2 LYS 71 HB2 LYS 71 11.479 -7.890 -5.966 578 HB3 LYS 71 HB3 LYS 71 13.056 -8.575 -6.322 579 HG2 LYS 71 HG2 LYS 71 12.920 -9.957 -4.351 580 HG3 LYS 71 HG3 LYS 71 11.382 -9.201 -3.909 581 HD2 LYS 71 HD2 LYS 71 10.303 -10.075 -5.845 582 HD3 LYS 71 HD3 LYS 71 11.837 -10.612 -6.529 583 HE2 LYS 71 HE2 LYS 71 10.542 -11.693 -4.030 584 HE3 LYS 71 HE3 LYS 71 10.545 -12.478 -5.610 585 HZ1 LYS 71 HZ1 LYS 71 12.250 -13.422 -4.245 586 HZ2 LYS 71 HZ2 LYS 71 12.906 -11.900 -3.910 587 HZ3 LYS 71 HZ3 LYS 71 12.991 -12.531 -5.480 588 H LYS 72 H LYS 72 12.758 -5.448 -6.656 589 HA LYS 72 HA LYS 72 15.151 -5.760 -8.103 590 HB2 LYS 72 HB2 LYS 72 12.964 -4.706 -8.879 591 HB3 LYS 72 HB3 LYS 72 13.423 -3.271 -7.991 592 HG2 LYS 72 HG2 LYS 72 15.142 -4.397 -10.188 593 HG3 LYS 72 HG3 LYS 72 13.809 -3.293 -10.513 594 HD2 LYS 72 HD2 LYS 72 15.357 -2.152 -8.434 595 HD3 LYS 72 HD3 LYS 72 16.484 -2.701 -9.670 596 HE2 LYS 72 HE2 LYS 72 15.864 -0.405 -10.072 597 HE3 LYS 72 HE3 LYS 72 15.216 -1.431 -11.351 598 HZ1 LYS 72 HZ1 LYS 72 13.057 -1.285 -10.444 599 HZ2 LYS 72 HZ2 LYS 72 13.664 0.297 -10.442 600 HZ3 LYS 72 HZ3 LYS 72 13.613 -0.589 -8.999 601 H GLU 73 H GLU 73 14.197 -3.342 -5.674 602 HA GLU 73 HA GLU 73 16.772 -2.026 -5.912 603 HB2 GLU 73 HB2 GLU 73 14.205 -1.349 -4.514 604 HB3 GLU 73 HB3 GLU 73 15.676 -0.409 -4.274 605 HG2 GLU 73 HG2 GLU 73 15.476 0.613 -6.235 606 HG3 GLU 73 HG3 GLU 73 15.065 -0.883 -7.073 607 H ASN 74 H ASN 74 15.888 -4.635 -4.201 608 HA ASN 74 HA ASN 74 16.843 -5.814 -2.527 609 HB2 ASN 74 HB2 ASN 74 18.910 -4.888 -3.680 610 HB3 ASN 74 HB3 ASN 74 18.970 -3.669 -2.420 611 HD21 ASN 74 HD21 ASN 74 20.841 -4.233 -1.534 612 HD22 ASN 74 HD22 ASN 74 21.122 -5.737 -0.726 613 H GLY 75 H GLY 75 14.822 -3.863 -1.840 614 HA2 GLY 75 HA2 GLY 75 13.783 -3.366 0.170 615 HA3 GLY 75 HA3 GLY 75 15.249 -3.828 1.007 616 H ALA 76 H ALA 76 15.630 -1.480 -1.497 617 HA ALA 76 HA ALA 76 16.237 0.646 0.356 618 HB1 ALA 76 HB1 ALA 76 16.019 0.664 -2.653 619 HB2 ALA 76 HB2 ALA 76 17.484 0.359 -1.720 620 HB3 ALA 76 HB3 ALA 76 16.716 1.945 -1.660 621 H VAL 77 H VAL 77 15.163 2.992 -0.739 622 HA VAL 77 HA VAL 77 12.291 2.587 -0.347 623 HB VAL 77 HB VAL 77 13.306 5.327 -0.976 624 HG11 VAL 77 HG11 VAL 77 10.941 4.969 -0.531 625 HG12 VAL 77 HG12 VAL 77 11.667 5.981 0.717 626 HG13 VAL 77 HG13 VAL 77 11.327 4.283 1.049 627 HG21 VAL 77 HG21 VAL 77 15.027 4.587 0.551 628 HG22 VAL 77 HG22 VAL 77 13.806 4.016 1.689 629 HG23 VAL 77 HG23 VAL 77 13.959 5.741 1.352 630 H ALA 78 H ALA 78 10.886 4.053 -1.945 631 HA ALA 78 HA ALA 78 11.153 2.768 -4.476 632 HB1 ALA 78 HB1 ALA 78 9.285 4.968 -3.609 633 HB2 ALA 78 HB2 ALA 78 8.982 3.234 -3.485 634 HB3 ALA 78 HB3 ALA 78 9.127 3.993 -5.071 635 H SER 79 H SER 79 12.488 3.398 -6.041 636 HA SER 79 HA SER 79 13.598 6.058 -6.137 637 HB2 SER 79 HB2 SER 79 14.864 3.933 -6.665 638 HB3 SER 79 HB3 SER 79 13.942 3.837 -8.162 639 HG SER 79 HG SER 79 14.998 5.534 -8.952 640 H ILE 80 H ILE 80 10.858 4.561 -7.430 641 HA ILE 80 HA ILE 80 10.563 5.921 -9.880 642 HB ILE 80 HB ILE 80 9.256 3.989 -9.634 643 HG12 ILE 80 HG12 ILE 80 7.332 6.311 -9.336 644 HG13 ILE 80 HG13 ILE 80 8.096 5.805 -10.837 645 HG21 ILE 80 HG21 ILE 80 8.082 5.126 -7.103 646 HG22 ILE 80 HG22 ILE 80 9.219 3.784 -7.236 647 HG23 ILE 80 HG23 ILE 80 7.583 3.617 -7.873 648 HD11 ILE 80 HD11 ILE 80 6.911 3.681 -10.725 649 HD12 ILE 80 HD12 ILE 80 5.795 5.048 -10.698 650 HD13 ILE 80 HD13 ILE 80 6.163 4.178 -9.207 651 H ASN 81 H ASN 81 9.310 6.636 -6.630 652 HA ASN 81 HA ASN 81 8.105 8.299 -5.731 653 HB2 ASN 81 HB2 ASN 81 9.927 9.959 -7.469 654 HB3 ASN 81 HB3 ASN 81 8.844 10.635 -6.256 655 HD21 ASN 81 HD21 ASN 81 9.237 10.218 -4.069 656 HD22 ASN 81 HD22 ASN 81 10.798 9.715 -3.517 657 H TYR 82 H TYR 82 6.062 8.421 -6.057 658 HA TYR 82 HA TYR 82 4.896 8.395 -8.646 659 HB2 TYR 82 HB2 TYR 82 2.758 8.244 -7.511 660 HB3 TYR 82 HB3 TYR 82 3.923 7.184 -6.733 661 HD1 TYR 82 HD1 TYR 82 5.118 8.206 -4.600 662 HD2 TYR 82 HD2 TYR 82 1.444 9.627 -6.209 663 HE1 TYR 82 HE1 TYR 82 4.573 9.223 -2.439 664 HE2 TYR 82 HE2 TYR 82 0.895 10.652 -4.045 665 HH TYR 82 HH TYR 82 1.515 10.292 -1.634 666 H LYS 83 H LYS 83 5.820 11.010 -6.635 667 HA LYS 83 HA LYS 83 3.926 12.842 -7.909 668 HB2 LYS 83 HB2 LYS 83 4.350 12.603 -5.341 669 HB3 LYS 83 HB3 LYS 83 5.805 13.531 -5.662 670 HG2 LYS 83 HG2 LYS 83 4.512 15.391 -6.453 671 HG3 LYS 83 HG3 LYS 83 3.021 14.452 -6.345 672 HD2 LYS 83 HD2 LYS 83 4.794 15.092 -3.990 673 HD3 LYS 83 HD3 LYS 83 3.377 16.039 -4.446 674 HE2 LYS 83 HE2 LYS 83 1.936 14.135 -4.088 675 HE3 LYS 83 HE3 LYS 83 3.326 13.094 -3.792 676 HZ1 LYS 83 HZ1 LYS 83 2.288 13.733 -1.731 677 HZ2 LYS 83 HZ2 LYS 83 2.460 15.375 -2.102 678 HZ3 LYS 83 HZ3 LYS 83 3.832 14.421 -1.828 679 H LYS 84 H LYS 84 6.345 11.618 -9.174 680 HA LYS 84 HA LYS 84 7.254 14.083 -10.383 681 HB2 LYS 84 HB2 LYS 84 9.589 13.708 -10.273 682 HB3 LYS 84 HB3 LYS 84 9.004 13.473 -8.637 683 HG2 LYS 84 HG2 LYS 84 9.182 11.075 -8.870 684 HG3 LYS 84 HG3 LYS 84 9.626 11.245 -10.570 685 HD2 LYS 84 HD2 LYS 84 11.629 12.519 -9.872 686 HD3 LYS 84 HD3 LYS 84 11.199 12.215 -8.189 687 HE2 LYS 84 HE2 LYS 84 12.912 10.655 -8.941 688 HE3 LYS 84 HE3 LYS 84 11.412 9.809 -8.569 689 HZ1 LYS 84 HZ1 LYS 84 12.292 10.577 -11.297 690 HZ2 LYS 84 HZ2 LYS 84 10.917 9.670 -10.903 691 HZ3 LYS 84 HZ3 LYS 84 12.458 9.032 -10.624 692 H ALA 85 H ALA 85 6.390 10.831 -10.492 693 HA ALA 85 HA ALA 85 7.504 10.350 -13.144 694 HB1 ALA 85 HB1 ALA 85 7.836 8.644 -11.421 695 HB2 ALA 85 HB2 ALA 85 6.880 8.028 -12.769 696 HB3 ALA 85 HB3 ALA 85 6.088 8.472 -11.257 697 H SER 86 H SER 86 6.275 9.864 -14.911 698 HA SER 86 HA SER 86 3.628 10.922 -15.086 699 HB2 SER 86 HB2 SER 86 5.135 9.202 -17.078 700 HB3 SER 86 HB3 SER 86 3.754 10.245 -17.420 701 HG SER 86 HG SER 86 5.781 11.197 -17.965 702 H ALA 87 H ALA 87 1.854 9.560 -16.177 703 HA ALA 87 HA ALA 87 1.115 7.405 -14.497 704 HB1 ALA 87 HB1 ALA 87 -0.057 8.167 -17.169 705 HB2 ALA 87 HB2 ALA 87 -0.510 8.861 -15.612 706 HB3 ALA 87 HB3 ALA 87 -0.820 7.157 -15.940 707 H ASP 88 H ASP 88 2.576 7.529 -17.684 708 HA ASP 88 HA ASP 88 2.518 4.770 -18.273 709 HB2 ASP 88 HB2 ASP 88 2.943 6.561 -19.933 710 HB3 ASP 88 HB3 ASP 88 4.515 6.842 -19.191 711 H GLU 89 H GLU 89 4.867 6.794 -16.579 712 HA GLU 89 HA GLU 89 6.907 4.883 -16.201 713 HB2 GLU 89 HB2 GLU 89 6.155 7.302 -14.560 714 HB3 GLU 89 HB3 GLU 89 7.624 6.366 -14.328 715 HG2 GLU 89 HG2 GLU 89 6.909 7.752 -16.893 716 HG3 GLU 89 HG3 GLU 89 7.905 8.467 -15.626 717 H LEU 90 H LEU 90 3.957 5.553 -14.441 718 HA LEU 90 HA LEU 90 4.516 4.172 -12.055 719 HB2 LEU 90 HB2 LEU 90 2.160 5.333 -13.361 720 HB3 LEU 90 HB3 LEU 90 1.790 3.955 -12.346 721 HG LEU 90 HG LEU 90 1.529 6.116 -11.170 722 HD11 LEU 90 HD11 LEU 90 3.730 4.364 -10.107 723 HD12 LEU 90 HD12 LEU 90 1.996 4.105 -9.905 724 HD13 LEU 90 HD13 LEU 90 2.773 5.505 -9.164 725 HD21 LEU 90 HD21 LEU 90 3.478 7.412 -10.513 726 HD22 LEU 90 HD22 LEU 90 3.329 7.372 -12.270 727 HD23 LEU 90 HD23 LEU 90 4.522 6.355 -11.462 728 H HIS 91 H HIS 91 2.788 3.048 -15.019 729 HA HIS 91 HA HIS 91 2.538 0.424 -13.895 730 HB2 HIS 91 HB2 HIS 91 1.481 -0.224 -16.015 731 HB3 HIS 91 HB3 HIS 91 0.740 1.191 -15.299 732 HD1 HIS 91 HD1 HIS 91 0.166 2.922 -16.928 733 HD2 HIS 91 HD2 HIS 91 3.339 0.595 -18.270 734 HE1 HIS 91 HE1 HIS 91 0.635 3.696 -19.274 735 HE2 HIS 91 HE2 HIS 91 2.682 2.426 -19.976 736 H ALA 92 H ALA 92 4.914 1.996 -15.849 737 HA ALA 92 HA ALA 92 6.025 -0.403 -16.984 738 HB1 ALA 92 HB1 ALA 92 6.257 1.751 -18.115 739 HB2 ALA 92 HB2 ALA 92 7.832 1.040 -17.762 740 HB3 ALA 92 HB3 ALA 92 7.216 2.360 -16.768 741 H TYR 93 H TYR 93 6.475 1.448 -14.074 742 HA TYR 93 HA TYR 93 8.971 0.307 -13.300 743 HB2 TYR 93 HB2 TYR 93 7.701 2.461 -12.476 744 HB3 TYR 93 HB3 TYR 93 6.988 1.343 -11.320 745 HD1 TYR 93 HD2 TYR 93 10.108 2.896 -12.459 746 HD2 TYR 93 HD1 TYR 93 8.272 0.482 -9.477 747 HE1 TYR 93 HE2 TYR 93 12.078 3.186 -11.021 748 HE2 TYR 93 HE1 TYR 93 10.236 0.771 -8.027 749 HH TYR 93 HH TYR 93 12.504 1.367 -8.103 750 H PHE 94 H PHE 94 5.605 -0.553 -12.896 751 HA PHE 94 HA PHE 94 6.060 -2.604 -10.938 752 HB2 PHE 94 HB2 PHE 94 3.931 -1.295 -11.139 753 HB3 PHE 94 HB3 PHE 94 3.635 -2.094 -12.676 754 HD1 PHE 94 HD1 PHE 94 4.210 -2.801 -9.080 755 HD2 PHE 94 HD2 PHE 94 2.456 -4.090 -12.734 756 HE1 PHE 94 HE1 PHE 94 3.082 -4.630 -7.888 757 HE2 PHE 94 HE2 PHE 94 1.328 -5.922 -11.548 758 HZ PHE 94 HZ PHE 94 1.641 -6.193 -9.125 759 H ALA 95 H ALA 95 5.754 -2.319 -14.412 760 HA ALA 95 HA ALA 95 5.509 -5.128 -14.943 761 HB1 ALA 95 HB1 ALA 95 4.494 -3.434 -16.389 762 HB2 ALA 95 HB2 ALA 95 5.580 -4.508 -17.272 763 HB3 ALA 95 HB3 ALA 95 6.104 -2.878 -16.847 764 H GLU 96 H GLU 96 8.121 -3.461 -13.913 765 HA GLU 96 HA GLU 96 10.153 -4.438 -15.678 766 HB2 GLU 96 HB2 GLU 96 10.473 -2.434 -14.334 767 HB3 GLU 96 HB3 GLU 96 10.262 -3.359 -12.859 768 HG2 GLU 96 HG2 GLU 96 12.307 -4.573 -13.286 769 HG3 GLU 96 HG3 GLU 96 12.509 -3.729 -14.822 770 H VAL 97 H VAL 97 8.766 -5.464 -12.596 771 HA VAL 97 HA VAL 97 10.209 -8.007 -12.834 772 HB VAL 97 HB VAL 97 9.571 -8.394 -10.445 773 HG11 VAL 97 HG11 VAL 97 11.225 -6.843 -9.510 774 HG12 VAL 97 HG12 VAL 97 11.180 -5.902 -11.002 775 HG13 VAL 97 HG13 VAL 97 11.784 -7.560 -11.022 776 HG21 VAL 97 HG21 VAL 97 8.844 -6.490 -9.097 777 HG22 VAL 97 HG22 VAL 97 7.645 -6.901 -10.325 778 HG23 VAL 97 HG23 VAL 97 8.702 -5.507 -10.555 779 H LEU 98 H LEU 98 7.014 -6.570 -12.686 780 HA LEU 98 HA LEU 98 5.836 -9.219 -13.191 781 HB2 LEU 98 HB2 LEU 98 4.681 -6.939 -11.578 782 HB3 LEU 98 HB3 LEU 98 3.751 -8.326 -12.100 783 HG LEU 98 HG LEU 98 6.144 -8.482 -10.259 784 HD11 LEU 98 HD11 LEU 98 4.296 -7.262 -9.230 785 HD12 LEU 98 HD12 LEU 98 4.507 -8.848 -8.488 786 HD13 LEU 98 HD13 LEU 98 3.196 -8.578 -9.638 787 HD21 LEU 98 HD21 LEU 98 5.725 -10.536 -11.518 788 HD22 LEU 98 HD22 LEU 98 4.039 -10.514 -10.998 789 HD23 LEU 98 HD23 LEU 98 5.325 -10.742 -9.812 790 HA PRO 99 HA PRO 99 4.550 -6.541 -16.707 791 HB2 PRO 99 HB2 PRO 99 5.285 -8.495 -18.596 792 HB3 PRO 99 HB3 PRO 99 6.176 -7.029 -18.192 793 HG2 PRO 99 HG2 PRO 99 6.984 -9.679 -17.697 794 HG3 PRO 99 HG3 PRO 99 7.739 -8.206 -17.073 795 HD2 PRO 99 HD2 PRO 99 5.876 -10.091 -15.743 796 HD3 PRO 99 HD3 PRO 99 7.148 -9.069 -15.041 797 H ASN 100 H ASN 100 3.463 -9.201 -15.231 798 HA ASN 100 HA ASN 100 1.549 -10.048 -17.255 799 HB2 ASN 100 HB2 ASN 100 1.062 -11.926 -15.801 800 HB3 ASN 100 HB3 ASN 100 2.797 -11.782 -16.020 801 HD21 ASN 100 HD21 ASN 100 1.201 -13.104 -13.957 802 HD22 ASN 100 HD22 ASN 100 1.756 -12.458 -12.447 803 H TYR 101 H TYR 101 1.618 -7.561 -15.250 804 HA TYR 101 HA TYR 101 -0.892 -7.682 -13.936 805 HB2 TYR 101 HB2 TYR 101 -0.628 -5.368 -13.471 806 HB3 TYR 101 HB3 TYR 101 1.000 -6.021 -13.460 807 HD1 TYR 101 HD1 TYR 101 2.323 -5.767 -15.731 808 HD2 TYR 101 HD2 TYR 101 -1.084 -3.445 -14.673 809 HE1 TYR 101 HE1 TYR 101 2.965 -4.077 -17.382 810 HE2 TYR 101 HE2 TYR 101 -0.441 -1.748 -16.331 811 HH TYR 101 HH TYR 101 1.844 -2.301 -18.727 812 H ASP 102 H ASP 102 -2.903 -6.893 -14.590 813 HA ASP 102 HA ASP 102 -3.188 -6.577 -17.485 814 HB2 ASP 102 HB2 ASP 102 -5.549 -7.199 -17.137 815 HB3 ASP 102 HB3 ASP 102 -4.450 -8.437 -16.544 816 H ARG 103 H ARG 103 -5.181 -5.176 -18.045 817 HA ARG 103 HA ARG 103 -4.897 -2.652 -16.546 818 HB2 ARG 103 HB2 ARG 103 -5.248 -1.478 -18.653 819 HB3 ARG 103 HB3 ARG 103 -3.901 -2.596 -18.796 820 HG2 ARG 103 HG2 ARG 103 -5.675 -4.207 -19.792 821 HG3 ARG 103 HG3 ARG 103 -6.614 -2.732 -20.032 822 HD2 ARG 103 HD2 ARG 103 -5.381 -3.172 -22.035 823 HD3 ARG 103 HD3 ARG 103 -4.665 -1.768 -21.241 824 HE ARG 103 HE ARG 103 -3.265 -3.973 -20.323 825 HH11 ARG 103 HH11 ARG 103 -3.799 -2.425 -23.430 826 HH12 ARG 103 HH12 ARG 103 -2.286 -2.958 -24.093 827 HH21 ARG 103 HH21 ARG 103 -1.301 -4.665 -21.176 828 HH22 ARG 103 HH22 ARG 103 -0.850 -4.239 -22.799 829 H ASP 104 H ASP 104 -6.873 -5.030 -16.521 830 HA ASP 104 HA ASP 104 -9.393 -3.659 -17.105 831 HB2 ASP 104 HB2 ASP 104 -9.019 -5.962 -17.962 832 HB3 ASP 104 HB3 ASP 104 -8.831 -6.535 -16.310 833 H ARG 105 H ARG 105 -8.027 -5.684 -14.560 834 HA ARG 105 HA ARG 105 -9.793 -4.620 -12.523 835 HB2 ARG 105 HB2 ARG 105 -7.565 -6.659 -12.453 836 HB3 ARG 105 HB3 ARG 105 -8.580 -6.246 -11.077 837 HG2 ARG 105 HG2 ARG 105 -10.499 -7.165 -12.083 838 HG3 ARG 105 HG3 ARG 105 -9.718 -7.248 -13.665 839 HD2 ARG 105 HD2 ARG 105 -8.382 -9.045 -13.046 840 HD3 ARG 105 HD3 ARG 105 -8.615 -8.744 -11.327 841 HE ARG 105 HE ARG 105 -11.107 -9.361 -12.318 842 HH11 ARG 105 HH11 ARG 105 -8.003 -10.987 -12.276 843 HH12 ARG 105 HH12 ARG 105 -8.694 -12.564 -12.054 844 HH21 ARG 105 HH21 ARG 105 -12.011 -11.440 -12.018 845 HH22 ARG 105 HH22 ARG 105 -10.957 -12.818 -11.911 846 H VAL 106 H VAL 106 -6.313 -4.663 -13.260 847 HA VAL 106 HA VAL 106 -5.765 -2.655 -11.238 848 HB VAL 106 HB VAL 106 -3.881 -3.659 -13.395 849 HG11 VAL 106 HG11 VAL 106 -3.330 -2.301 -10.756 850 HG12 VAL 106 HG12 VAL 106 -3.169 -1.575 -12.355 851 HG13 VAL 106 HG13 VAL 106 -2.109 -2.902 -11.879 852 HG21 VAL 106 HG21 VAL 106 -4.659 -5.551 -12.070 853 HG22 VAL 106 HG22 VAL 106 -4.229 -4.704 -10.584 854 HG23 VAL 106 HG23 VAL 106 -2.968 -5.194 -11.716 855 H HIS 107 H HIS 107 -6.970 -0.920 -11.807 856 HA HIS 107 HA HIS 107 -6.129 0.697 -14.080 857 HB2 HIS 107 HB2 HIS 107 -7.970 -0.945 -14.842 858 HB3 HIS 107 HB3 HIS 107 -9.057 -0.031 -13.812 859 HD1 HIS 107 HD1 HIS 107 -7.595 -0.099 -17.155 860 HD2 HIS 107 HD2 HIS 107 -9.489 2.700 -14.740 861 HE1 HIS 107 HE1 HIS 107 -8.296 1.762 -18.695 862 HE2 HIS 107 HE2 HIS 107 -9.356 3.486 -17.202 863 H ASN 108 H ASN 108 -7.151 0.357 -10.929 864 HA ASN 108 HA ASN 108 -8.812 2.763 -10.757 865 HB2 ASN 108 HB2 ASN 108 -9.108 0.351 -9.649 866 HB3 ASN 108 HB3 ASN 108 -8.106 1.067 -8.397 867 HD21 ASN 108 HD21 ASN 108 -10.794 0.150 -8.186 868 HD22 ASN 108 HD22 ASN 108 -11.760 1.507 -7.719 869 H GLY 109 H GLY 109 -5.822 2.875 -11.196 870 HA2 GLY 109 HA2 GLY 109 -4.002 4.092 -10.454 871 HA3 GLY 109 HA3 GLY 109 -5.072 4.834 -9.267 872 H ASP 110 H ASP 110 -4.295 1.433 -9.740 873 HA ASP 110 HA ASP 110 -4.200 0.981 -6.942 874 HB2 ASP 110 HB2 ASP 110 -3.548 -0.843 -9.258 875 HB3 ASP 110 HB3 ASP 110 -3.692 -1.369 -7.587 876 H ILE 111 H ILE 111 -1.753 1.212 -9.431 877 HA ILE 111 HA ILE 111 0.420 0.526 -7.705 878 HB ILE 111 HB ILE 111 0.691 2.083 -10.287 879 HG12 ILE 111 HG12 ILE 111 -0.669 0.124 -10.810 880 HG13 ILE 111 HG13 ILE 111 0.949 -0.082 -11.465 881 HG21 ILE 111 HG21 ILE 111 2.715 1.939 -8.940 882 HG22 ILE 111 HG22 ILE 111 2.891 0.984 -10.411 883 HG23 ILE 111 HG23 ILE 111 2.572 0.182 -8.873 884 HD11 ILE 111 HD11 ILE 111 0.129 -2.153 -10.517 885 HD12 ILE 111 HD12 ILE 111 -0.134 -1.361 -8.963 886 HD13 ILE 111 HD13 ILE 111 1.505 -1.558 -9.587 887 H LYS 112 H LYS 112 -1.202 3.486 -8.683 888 HA LYS 112 HA LYS 112 0.746 5.326 -7.779 889 HB2 LYS 112 HB2 LYS 112 -1.980 5.425 -8.800 890 HB3 LYS 112 HB3 LYS 112 -1.652 6.667 -7.599 891 HG2 LYS 112 HG2 LYS 112 0.161 6.177 -9.932 892 HG3 LYS 112 HG3 LYS 112 -1.226 7.273 -10.016 893 HD2 LYS 112 HD2 LYS 112 -0.273 8.476 -8.037 894 HD3 LYS 112 HD3 LYS 112 1.166 7.466 -8.188 895 HE2 LYS 112 HE2 LYS 112 1.586 9.556 -9.283 896 HE3 LYS 112 HE3 LYS 112 1.436 8.298 -10.509 897 HZ1 LYS 112 HZ1 LYS 112 0.260 10.341 -11.103 898 HZ2 LYS 112 HZ2 LYS 112 -0.729 10.178 -9.736 899 HZ3 LYS 112 HZ3 LYS 112 -0.795 9.023 -10.975 900 H LYS 113 H LYS 113 -2.171 4.029 -6.213 901 HA LYS 113 HA LYS 113 -1.794 5.434 -3.772 902 HB2 LYS 113 HB2 LYS 113 -3.468 3.931 -2.833 903 HB3 LYS 113 HB3 LYS 113 -3.981 4.501 -4.411 904 HG2 LYS 113 HG2 LYS 113 -3.189 2.342 -5.372 905 HG3 LYS 113 HG3 LYS 113 -2.870 1.789 -3.730 906 HD2 LYS 113 HD2 LYS 113 -5.234 2.067 -3.168 907 HD3 LYS 113 HD3 LYS 113 -5.557 2.656 -4.802 908 HE2 LYS 113 HE2 LYS 113 -4.574 0.450 -5.608 909 HE3 LYS 113 HE3 LYS 113 -4.717 -0.093 -3.937 910 HZ1 LYS 113 HZ1 LYS 113 -7.032 0.084 -4.012 911 HZ2 LYS 113 HZ2 LYS 113 -6.616 -0.618 -5.503 912 HZ3 LYS 113 HZ3 LYS 113 -7.012 1.025 -5.418 913 H LEU 114 H LEU 114 -0.605 2.414 -5.065 914 HA LEU 114 HA LEU 114 0.378 1.330 -2.667 915 HB2 LEU 114 HB2 LEU 114 0.086 -0.232 -4.359 916 HB3 LEU 114 HB3 LEU 114 0.794 0.790 -5.588 917 HG LEU 114 HG LEU 114 2.612 -0.364 -3.501 918 HD11 LEU 114 HD11 LEU 114 1.529 -1.901 -5.862 919 HD12 LEU 114 HD12 LEU 114 1.171 -2.245 -4.170 920 HD13 LEU 114 HD13 LEU 114 2.818 -2.427 -4.777 921 HD21 LEU 114 HD21 LEU 114 3.484 1.127 -5.226 922 HD22 LEU 114 HD22 LEU 114 2.831 0.066 -6.474 923 HD23 LEU 114 HD23 LEU 114 4.118 -0.508 -5.410 924 H ILE 115 H ILE 115 1.962 3.385 -5.171 925 HA ILE 115 HA ILE 115 4.547 3.363 -3.982 926 HB ILE 115 HB ILE 115 3.456 5.655 -5.645 927 HG12 ILE 115 HG12 ILE 115 3.133 3.520 -6.856 928 HG13 ILE 115 HG13 ILE 115 4.298 4.575 -7.641 929 HG21 ILE 115 HG21 ILE 115 5.805 5.997 -6.287 930 HG22 ILE 115 HG22 ILE 115 6.283 4.672 -5.225 931 HG23 ILE 115 HG23 ILE 115 5.573 6.135 -4.543 932 HD11 ILE 115 HD11 ILE 115 6.125 3.218 -6.755 933 HD12 ILE 115 HD12 ILE 115 5.001 2.247 -7.707 934 HD13 ILE 115 HD13 ILE 115 4.959 2.171 -5.945 935 H SER 116 H SER 116 1.702 5.325 -3.443 936 HA SER 116 HA SER 116 2.815 7.407 -1.940 937 HB2 SER 116 HB2 SER 116 0.468 7.271 -2.883 938 HB3 SER 116 HB3 SER 116 0.067 6.214 -1.533 939 HG SER 116 HG SER 116 0.283 7.869 -0.148 940 H TRP 117 H TRP 117 1.651 4.196 -0.963 941 HA TRP 117 HA TRP 117 2.314 4.686 1.821 942 HB2 TRP 117 HB2 TRP 117 1.402 2.087 0.561 943 HB3 TRP 117 HB3 TRP 117 1.387 2.501 2.277 944 HD1 TRP 117 HD1 TRP 117 0.087 5.361 2.085 945 HE1 TRP 117 HE1 TRP 117 -2.369 5.635 1.416 946 HE3 TRP 117 HE3 TRP 117 -0.677 0.838 -0.214 947 HZ2 TRP 117 HZ2 TRP 117 -4.380 4.171 0.141 948 HZ3 TRP 117 HZ3 TRP 117 -2.918 0.371 -1.109 949 HH2 TRP 117 HH2 TRP 117 -4.726 1.997 -0.938 950 H TYR 118 H TYR 118 3.741 3.328 -0.954 951 HA TYR 118 HA TYR 118 5.492 1.357 0.045 952 HB2 TYR 118 HB2 TYR 118 4.628 1.787 -2.283 953 HB3 TYR 118 HB3 TYR 118 5.776 3.099 -2.404 954 HD1 TYR 118 HD1 TYR 118 6.594 -0.185 -0.878 955 HD2 TYR 118 HD2 TYR 118 6.799 2.332 -4.291 956 HE1 TYR 118 HE1 TYR 118 8.172 -1.747 -1.939 957 HE2 TYR 118 HE2 TYR 118 8.366 0.806 -5.361 958 HH TYR 118 HH TYR 118 8.901 -2.291 -4.326 959 H ASN 119 H ASN 119 5.908 4.846 -0.454 960 HA ASN 119 HA ASN 119 8.701 4.819 0.211 961 HB2 ASN 119 HB2 ASN 119 6.699 7.049 -0.114 962 HB3 ASN 119 HB3 ASN 119 8.355 7.346 0.407 963 HD21 ASN 119 HD21 ASN 119 10.036 7.104 -1.058 964 HD22 ASN 119 HD22 ASN 119 9.768 6.930 -2.759 965 H ILE 120 H ILE 120 5.722 5.172 1.970 966 HA ILE 120 HA ILE 120 6.831 6.121 4.443 967 HB ILE 120 HB ILE 120 4.190 4.727 3.933 968 HG12 ILE 120 HG12 ILE 120 4.765 7.689 4.072 969 HG13 ILE 120 HG13 ILE 120 4.595 6.786 2.572 970 HG21 ILE 120 HG21 ILE 120 3.424 5.796 6.000 971 HG22 ILE 120 HG22 ILE 120 5.028 6.494 6.243 972 HG23 ILE 120 HG23 ILE 120 4.810 4.742 6.309 973 HD11 ILE 120 HD11 ILE 120 2.562 7.963 3.106 974 HD12 ILE 120 HD12 ILE 120 2.481 7.154 4.672 975 HD13 ILE 120 HD13 ILE 120 2.303 6.221 3.186 976 H LEU 121 H LEU 121 6.088 3.005 3.035 977 HA LEU 121 HA LEU 121 6.305 1.328 5.236 978 HB2 LEU 121 HB2 LEU 121 7.077 0.823 2.370 979 HB3 LEU 121 HB3 LEU 121 6.950 -0.423 3.591 980 HG LEU 121 HG LEU 121 4.630 1.306 2.762 981 HD11 LEU 121 HD11 LEU 121 3.940 -0.568 1.389 982 HD12 LEU 121 HD12 LEU 121 5.437 -1.413 1.785 983 HD13 LEU 121 HD13 LEU 121 5.488 0.087 0.857 984 HD21 LEU 121 HD21 LEU 121 3.293 -0.478 3.739 985 HD22 LEU 121 HD22 LEU 121 4.387 0.212 4.938 986 HD23 LEU 121 HD23 LEU 121 4.758 -1.346 4.196 987 H VAL 122 H VAL 122 8.844 2.169 2.889 988 HA VAL 122 HA VAL 122 10.876 0.845 4.406 989 HB VAL 122 HB VAL 122 11.425 2.819 2.202 990 HG11 VAL 122 HG11 VAL 122 13.350 1.968 3.414 991 HG12 VAL 122 HG12 VAL 122 13.328 1.332 1.769 992 HG13 VAL 122 HG13 VAL 122 12.827 0.310 3.117 993 HG21 VAL 122 HG21 VAL 122 9.667 1.333 1.382 994 HG22 VAL 122 HG22 VAL 122 10.614 -0.073 1.870 995 HG23 VAL 122 HG23 VAL 122 11.203 0.984 0.586 996 H ASN 123 H ASN 123 9.477 3.960 4.552 997 HA ASN 123 HA ASN 123 11.567 5.612 5.385 998 HB2 ASN 123 HB2 ASN 123 9.345 6.442 4.758 999 HB3 ASN 123 HB3 ASN 123 8.652 5.692 6.187 1000 HD21 ASN 123 HD21 ASN 123 10.712 8.245 5.014 1001 HD22 ASN 123 HD22 ASN 123 10.617 9.234 6.435 1002 H ASN 124 H ASN 124 9.436 3.549 7.378 1003 HA ASN 124 HA ASN 124 11.379 3.922 9.555 1004 HB2 ASN 124 HB2 ASN 124 9.530 3.629 11.165 1005 HB3 ASN 124 HB3 ASN 124 9.301 5.039 10.142 1006 HD21 ASN 124 HD21 ASN 124 7.628 5.062 8.657 1007 HD22 ASN 124 HD22 ASN 124 6.352 3.899 8.686 1008 H GLY 125 H GLY 125 10.551 1.796 7.336 1009 HA2 GLY 125 HA2 GLY 125 11.150 -0.460 7.198 1010 HA3 GLY 125 HA3 GLY 125 11.277 -0.510 8.946 1011 H ILE 126 H ILE 126 8.523 0.634 9.218 1012 HA ILE 126 HA ILE 126 6.485 -0.107 9.792 1013 HB ILE 126 HB ILE 126 6.753 -1.809 7.307 1014 HG12 ILE 126 HG12 ILE 126 6.787 0.630 6.976 1015 HG13 ILE 126 HG13 ILE 126 5.405 -0.150 6.227 1016 HG21 ILE 126 HG21 ILE 126 4.288 -2.055 7.344 1017 HG22 ILE 126 HG22 ILE 126 4.269 -1.358 8.966 1018 HG23 ILE 126 HG23 ILE 126 5.093 -2.894 8.672 1019 HD11 ILE 126 HD11 ILE 126 5.381 1.413 8.792 1020 HD12 ILE 126 HD12 ILE 126 3.986 0.627 8.051 1021 HD13 ILE 126 HD13 ILE 126 4.793 1.959 7.222 1022 H THR 127 H THR 127 7.389 -3.256 8.550 1023 HA THR 127 HA THR 127 8.197 -4.279 11.118 1024 HB THR 127 HB THR 127 6.608 -6.337 10.601 1025 HG1 THR 127 HG1 THR 127 4.552 -5.603 9.809 1026 HG21 THR 127 HG21 THR 127 6.558 -5.103 12.696 1027 HG22 THR 127 HG22 THR 127 4.919 -5.462 12.153 1028 HG23 THR 127 HG23 THR 127 5.581 -3.839 11.949 1029 H GLU 128 H GLU 128 6.944 -5.605 8.095 1030 HA GLU 128 HA GLU 128 9.268 -6.034 6.683 1031 HB2 GLU 128 HB2 GLU 128 9.238 -7.775 8.856 1032 HB3 GLU 128 HB3 GLU 128 8.645 -8.740 7.510 1033 HG2 GLU 128 HG2 GLU 128 10.958 -7.087 6.878 1034 HG3 GLU 128 HG3 GLU 128 11.256 -8.317 8.103 1035 H PHE 129 H PHE 129 8.837 -6.829 4.713 1036 HA PHE 129 HA PHE 129 6.393 -8.141 3.990 1037 HB2 PHE 129 HB2 PHE 129 5.655 -6.195 2.483 1038 HB3 PHE 129 HB3 PHE 129 5.359 -5.996 4.206 1039 HD1 PHE 129 HD1 PHE 129 6.725 -4.465 5.528 1040 HD2 PHE 129 HD2 PHE 129 7.197 -4.775 1.311 1041 HE1 PHE 129 HE1 PHE 129 8.023 -2.414 5.563 1042 HE2 PHE 129 HE2 PHE 129 8.516 -2.681 1.321 1043 HZ PHE 129 HZ PHE 129 8.932 -1.501 3.448 1044 H VAL 130 H VAL 130 9.462 -8.043 3.632 1045 HA VAL 130 HA VAL 130 9.570 -8.839 0.879 1046 HB VAL 130 HB VAL 130 9.689 -6.414 0.541 1047 HG11 VAL 130 HG11 VAL 130 10.539 -5.676 2.673 1048 HG12 VAL 130 HG12 VAL 130 11.553 -5.060 1.368 1049 HG13 VAL 130 HG13 VAL 130 12.101 -6.425 2.344 1050 HG21 VAL 130 HG21 VAL 130 10.952 -7.788 -0.994 1051 HG22 VAL 130 HG22 VAL 130 12.358 -7.731 0.071 1052 HG23 VAL 130 HG23 VAL 130 11.786 -6.258 -0.715 1053 H GLU 131 H GLU 131 11.360 -10.192 0.499 1054 HA GLU 131 HA GLU 131 12.448 -11.391 2.839 1055 HB2 GLU 131 HB2 GLU 131 13.178 -11.830 -0.047 1056 HB3 GLU 131 HB3 GLU 131 13.736 -12.822 1.291 1057 HG2 GLU 131 HG2 GLU 131 11.368 -13.367 1.794 1058 HG3 GLU 131 HG3 GLU 131 10.914 -12.498 0.325 1059 H ALA 132 H ALA 132 13.614 -8.743 1.041 1060 HA ALA 132 HA ALA 132 16.370 -8.989 1.814 1061 HB1 ALA 132 HB1 ALA 132 15.731 -7.619 -0.101 1062 HB2 ALA 132 HB2 ALA 132 16.520 -6.631 1.130 1063 HB3 ALA 132 HB3 ALA 132 14.766 -6.582 0.950 1064 HA PRO 133 HA PRO 133 15.185 -8.487 6.058 1065 HB2 PRO 133 HB2 PRO 133 18.059 -8.259 6.650 1066 HB3 PRO 133 HB3 PRO 133 16.900 -9.488 7.164 1067 HG2 PRO 133 HG2 PRO 133 18.802 -10.021 5.350 1068 HG3 PRO 133 HG3 PRO 133 17.187 -10.748 5.249 1069 HD2 PRO 133 HD2 PRO 133 18.324 -8.437 3.718 1070 HD3 PRO 133 HD3 PRO 133 17.315 -9.781 3.144 1071 H ALA 134 H ALA 134 14.274 -6.572 6.421 1072 HA ALA 134 HA ALA 134 15.986 -4.221 6.848 1073 HB1 ALA 134 HB1 ALA 134 13.922 -2.922 6.807 1074 HB2 ALA 134 HB2 ALA 134 12.977 -4.404 6.656 1075 HB3 ALA 134 HB3 ALA 134 14.067 -3.916 5.357 1076 H LEU 135 H LEU 135 14.062 -6.577 8.446 1077 HA LEU 135 HA LEU 135 14.861 -5.645 11.064 1078 HB2 LEU 135 HB2 LEU 135 12.699 -4.429 10.496 1079 HB3 LEU 135 HB3 LEU 135 11.915 -5.986 10.403 1080 HG LEU 135 HG LEU 135 13.254 -5.178 12.967 1081 HD11 LEU 135 HD11 LEU 135 10.498 -4.329 12.084 1082 HD12 LEU 135 HD12 LEU 135 11.884 -3.260 12.301 1083 HD13 LEU 135 HD13 LEU 135 11.193 -4.101 13.689 1084 HD21 LEU 135 HD21 LEU 135 10.762 -6.781 12.359 1085 HD22 LEU 135 HD22 LEU 135 11.462 -6.510 13.955 1086 HD23 LEU 135 HD23 LEU 135 12.342 -7.457 12.755 1087 H GLU 136 H GLU 136 12.538 -7.753 9.438 1088 HA GLU 136 HA GLU 136 13.590 -10.086 10.872 1089 HB2 GLU 136 HB2 GLU 136 11.147 -9.444 11.107 1090 HB3 GLU 136 HB3 GLU 136 10.957 -9.722 9.391 1091 HG2 GLU 136 HG2 GLU 136 10.083 -11.553 10.781 1092 HG3 GLU 136 HG3 GLU 136 11.350 -12.074 9.672 1093 H HIS 137 H HIS 137 13.226 -12.147 9.281 1094 HA HIS 137 HA HIS 137 13.828 -11.401 6.504 1095 HB2 HIS 137 HB2 HIS 137 15.907 -12.232 7.537 1096 HB3 HIS 137 HB3 HIS 137 15.081 -13.701 8.046 1097 HD1 HIS 137 HD1 HIS 137 15.167 -15.621 6.459 1098 HD2 HIS 137 HD2 HIS 137 16.072 -12.014 4.611 1099 HE1 HIS 137 HE1 HIS 137 15.829 -16.214 4.105 1100 HE2 HIS 137 HE2 HIS 137 16.234 -14.003 2.970 1101 H HIS 138 H HIS 138 12.119 -11.950 5.354 1102 HA HIS 138 HA HIS 138 10.306 -14.036 6.153 1103 HB2 HIS 138 HB2 HIS 138 10.361 -12.041 3.924 1104 HB3 HIS 138 HB3 HIS 138 9.317 -13.447 3.778 1105 HD1 HIS 138 HD1 HIS 138 7.565 -11.289 3.749 1106 HD2 HIS 138 HD2 HIS 138 9.229 -12.395 7.397 1107 HE1 HIS 138 HE1 HIS 138 6.090 -10.262 5.503 1108 HE2 HIS 138 HE2 HIS 138 7.212 -10.800 7.685 1109 H HIS 139 H HIS 139 9.603 -15.733 4.768 1110 HA HIS 139 HA HIS 139 11.707 -16.795 2.999 1111 HB2 HIS 139 HB2 HIS 139 11.254 -18.030 5.213 1112 HB3 HIS 139 HB3 HIS 139 9.678 -18.438 4.547 1113 HD1 HIS 139 HD1 HIS 139 13.138 -19.552 4.672 1114 HD2 HIS 139 HD2 HIS 139 9.878 -20.134 2.158 1115 HE1 HIS 139 HE1 HIS 139 13.673 -21.611 3.328 1116 HE2 HIS 139 HE2 HIS 139 11.671 -21.972 1.848 1117 H HIS 140 H HIS 140 11.031 -17.366 0.964 1118 HA HIS 140 HA HIS 140 8.452 -16.485 0.126 1119 HB2 HIS 140 HB2 HIS 140 9.147 -17.263 -2.157 1120 HB3 HIS 140 HB3 HIS 140 10.193 -16.069 -1.420 1121 HD1 HIS 140 HD1 HIS 140 12.571 -16.923 -0.634 1122 HD2 HIS 140 HD2 HIS 140 10.359 -19.610 -2.916 1123 HE1 HIS 140 HE1 HIS 140 14.209 -18.680 -1.396 1124 HE2 HIS 140 HE2 HIS 140 12.813 -20.382 -2.606 1125 H HIS 141 H HIS 141 6.722 -17.486 0.405 1126 HA HIS 141 HA HIS 141 6.483 -20.304 -0.339 1127 HB2 HIS 141 HB2 HIS 141 6.633 -19.953 2.207 1128 HB3 HIS 141 HB3 HIS 141 5.073 -19.156 2.078 1129 HD1 HIS 141 HD1 HIS 141 6.676 -22.475 2.215 1130 HD2 HIS 141 HD2 HIS 141 2.908 -20.923 1.412 1131 HE1 HIS 141 HE1 HIS 141 5.095 -24.417 2.396 1132 HE2 HIS 141 HE2 HIS 141 2.803 -23.412 2.108 1133 H HIS 142 H HIS 142 5.062 -17.150 0.254 1134 HA HIS 142 HA HIS 142 2.590 -17.624 -1.042 1135 HB2 HIS 142 HB2 HIS 142 2.326 -15.172 -1.065 1136 HB3 HIS 142 HB3 HIS 142 2.784 -15.777 0.514 1137 HD1 HIS 142 HD1 HIS 142 4.139 -13.758 -2.377 1138 HD2 HIS 142 HD2 HIS 142 5.124 -14.688 1.552 1139 HE1 HIS 142 HE1 HIS 142 5.981 -12.171 -1.746 1140 HE2 HIS 142 HE2 HIS 142 6.360 -12.580 0.703 Start of MODEL 2 1 H1 MET 1 H1 MET 1 0.702 -7.797 12.918 2 H2 MET 1 H2 MET 1 -0.758 -8.400 12.309 3 H3 MET 1 H3 MET 1 -0.534 -6.727 12.451 4 HA MET 1 HA MET 1 1.223 -6.801 10.813 5 HB2 MET 1 HB2 MET 1 1.842 -9.178 11.359 6 HB3 MET 1 HB3 MET 1 0.411 -9.701 10.487 7 HG2 MET 1 HG2 MET 1 2.423 -8.006 9.091 8 HG3 MET 1 HG3 MET 1 2.759 -9.718 9.353 9 HE1 MET 1 HE1 MET 1 1.773 -9.606 5.587 10 HE2 MET 1 HE2 MET 1 3.013 -10.036 6.771 11 HE3 MET 1 HE3 MET 1 2.630 -8.343 6.469 12 H LEU 2 H LEU 2 -1.546 -9.023 10.194 13 HA LEU 2 HA LEU 2 -2.227 -7.473 7.866 14 HB2 LEU 2 HB2 LEU 2 -4.089 -9.135 7.609 15 HB3 LEU 2 HB3 LEU 2 -2.475 -9.804 7.593 16 HG LEU 2 HG LEU 2 -3.186 -10.095 10.232 17 HD11 LEU 2 HD11 LEU 2 -5.412 -11.118 10.224 18 HD12 LEU 2 HD12 LEU 2 -5.627 -10.627 8.543 19 HD13 LEU 2 HD13 LEU 2 -5.479 -9.406 9.807 20 HD21 LEU 2 HD21 LEU 2 -3.429 -12.460 9.666 21 HD22 LEU 2 HD22 LEU 2 -2.060 -11.732 8.823 22 HD23 LEU 2 HD23 LEU 2 -3.568 -12.038 7.959 23 H LYS 3 H LYS 3 -3.622 -5.957 7.667 24 HA LYS 3 HA LYS 3 -5.125 -4.343 8.037 25 HB2 LYS 3 HB2 LYS 3 -6.611 -6.389 8.464 26 HB3 LYS 3 HB3 LYS 3 -6.418 -6.042 10.173 27 HG2 LYS 3 HG2 LYS 3 -7.840 -4.300 10.115 28 HG3 LYS 3 HG3 LYS 3 -7.293 -3.768 8.525 29 HD2 LYS 3 HD2 LYS 3 -9.041 -6.181 8.978 30 HD3 LYS 3 HD3 LYS 3 -9.669 -4.573 8.608 31 HE2 LYS 3 HE2 LYS 3 -8.359 -4.577 6.521 32 HE3 LYS 3 HE3 LYS 3 -7.811 -6.210 6.889 33 HZ1 LYS 3 HZ1 LYS 3 -9.679 -6.153 5.332 34 HZ2 LYS 3 HZ2 LYS 3 -10.642 -5.415 6.515 35 HZ3 LYS 3 HZ3 LYS 3 -10.062 -6.992 6.755 36 H THR 4 H THR 4 -2.602 -4.519 9.542 37 HA THR 4 HA THR 4 -3.314 -3.032 11.974 38 HB THR 4 HB THR 4 -0.552 -4.020 11.232 39 HG1 THR 4 HG1 THR 4 -2.805 -5.322 12.233 40 HG21 THR 4 HG21 THR 4 -0.143 -3.848 13.641 41 HG22 THR 4 HG22 THR 4 -1.797 -3.291 13.899 42 HG23 THR 4 HG23 THR 4 -0.659 -2.287 13.000 43 H ILE 5 H ILE 5 -1.276 -2.711 9.048 44 HA ILE 5 HA ILE 5 -0.948 0.106 9.589 45 HB ILE 5 HB ILE 5 -0.000 -1.668 7.374 46 HG12 ILE 5 HG12 ILE 5 1.327 -1.499 9.404 47 HG13 ILE 5 HG13 ILE 5 2.181 -0.805 8.033 48 HG21 ILE 5 HG21 ILE 5 0.975 0.235 6.179 49 HG22 ILE 5 HG22 ILE 5 0.139 1.343 7.266 50 HG23 ILE 5 HG23 ILE 5 -0.788 0.307 6.180 51 HD11 ILE 5 HD11 ILE 5 2.474 0.544 10.032 52 HD12 ILE 5 HD12 ILE 5 0.727 0.738 10.169 53 HD13 ILE 5 HD13 ILE 5 1.586 1.441 8.797 54 H LEU 6 H LEU 6 -2.267 1.612 9.077 55 HA LEU 6 HA LEU 6 -4.512 1.013 7.286 56 HB2 LEU 6 HB2 LEU 6 -4.883 1.459 9.771 57 HB3 LEU 6 HB3 LEU 6 -4.372 3.101 9.466 58 HG LEU 6 HG LEU 6 -6.285 3.257 7.809 59 HD11 LEU 6 HD11 LEU 6 -8.119 1.664 8.135 60 HD12 LEU 6 HD12 LEU 6 -7.092 0.709 9.207 61 HD13 LEU 6 HD13 LEU 6 -6.673 0.878 7.502 62 HD21 LEU 6 HD21 LEU 6 -6.347 4.276 10.026 63 HD22 LEU 6 HD22 LEU 6 -6.929 2.760 10.714 64 HD23 LEU 6 HD23 LEU 6 -7.931 3.652 9.568 65 H SER 7 H SER 7 -4.794 2.261 5.572 66 HA SER 7 HA SER 7 -2.779 4.255 4.914 67 HB2 SER 7 HB2 SER 7 -4.988 3.004 3.257 68 HB3 SER 7 HB3 SER 7 -3.723 4.070 2.644 69 HG SER 7 HG SER 7 -2.214 2.521 3.069 70 H ILE 8 H ILE 8 -3.170 6.362 4.902 71 HA ILE 8 HA ILE 8 -5.896 7.290 5.545 72 HB ILE 8 HB ILE 8 -3.280 8.024 6.892 73 HG12 ILE 8 HG12 ILE 8 -4.262 5.880 7.624 74 HG13 ILE 8 HG13 ILE 8 -4.244 7.073 8.914 75 HG21 ILE 8 HG21 ILE 8 -6.008 9.206 7.430 76 HG22 ILE 8 HG22 ILE 8 -4.639 10.040 6.696 77 HG23 ILE 8 HG23 ILE 8 -4.550 9.509 8.378 78 HD11 ILE 8 HD11 ILE 8 -6.295 5.763 8.922 79 HD12 ILE 8 HD12 ILE 8 -6.646 6.290 7.274 80 HD13 ILE 8 HD13 ILE 8 -6.628 7.464 8.589 81 H ALA 9 H ALA 9 -6.529 9.190 4.575 82 HA ALA 9 HA ALA 9 -4.579 10.520 2.823 83 HB1 ALA 9 HB1 ALA 9 -7.588 10.762 2.823 84 HB2 ALA 9 HB2 ALA 9 -6.632 9.787 1.706 85 HB3 ALA 9 HB3 ALA 9 -6.483 11.544 1.692 86 H GLY 10 H GLY 10 -3.837 12.482 3.330 87 HA2 GLY 10 HA2 GLY 10 -5.068 14.602 4.520 88 HA3 GLY 10 HA3 GLY 10 -4.544 13.617 5.879 89 H LYS 11 H LYS 11 -2.750 14.419 6.730 90 HA LYS 11 HA LYS 11 -0.852 15.820 5.034 91 HB2 LYS 11 HB2 LYS 11 -1.652 16.790 7.216 92 HB3 LYS 11 HB3 LYS 11 -0.715 15.549 8.034 93 HG2 LYS 11 HG2 LYS 11 1.330 16.408 7.052 94 HG3 LYS 11 HG3 LYS 11 0.414 17.634 6.172 95 HD2 LYS 11 HD2 LYS 11 -0.383 18.522 8.344 96 HD3 LYS 11 HD3 LYS 11 0.651 17.353 9.164 97 HE2 LYS 11 HE2 LYS 11 1.605 19.504 7.274 98 HE3 LYS 11 HE3 LYS 11 1.670 19.596 9.033 99 HZ1 LYS 11 HZ1 LYS 11 3.793 18.923 8.204 100 HZ2 LYS 11 HZ2 LYS 11 3.113 17.664 7.299 101 HZ3 LYS 11 HZ3 LYS 11 3.093 17.598 8.991 102 HA PRO 12 HA PRO 12 2.115 12.368 6.609 103 HB2 PRO 12 HB2 PRO 12 0.508 10.228 7.804 104 HB3 PRO 12 HB3 PRO 12 1.926 11.056 8.454 105 HG2 PRO 12 HG2 PRO 12 -0.528 11.410 9.481 106 HG3 PRO 12 HG3 PRO 12 0.672 12.715 9.432 107 HD2 PRO 12 HD2 PRO 12 -1.641 12.196 7.593 108 HD3 PRO 12 HD3 PRO 12 -1.123 13.726 8.336 109 H GLY 13 H GLY 13 -0.519 10.023 6.455 110 HA2 GLY 13 HA2 GLY 13 -1.127 9.405 4.003 111 HA3 GLY 13 HA3 GLY 13 0.594 9.053 3.924 112 H LEU 14 H LEU 14 0.819 8.007 6.602 113 HA LEU 14 HA LEU 14 -1.002 5.711 6.560 114 HB2 LEU 14 HB2 LEU 14 1.995 5.633 6.793 115 HB3 LEU 14 HB3 LEU 14 0.972 4.319 7.334 116 HG LEU 14 HG LEU 14 1.097 5.340 4.500 117 HD11 LEU 14 HD11 LEU 14 2.304 3.270 4.060 118 HD12 LEU 14 HD12 LEU 14 2.294 2.905 5.786 119 HD13 LEU 14 HD13 LEU 14 3.175 4.310 5.187 120 HD21 LEU 14 HD21 LEU 14 -1.055 4.332 5.079 121 HD22 LEU 14 HD22 LEU 14 -0.222 2.901 5.690 122 HD23 LEU 14 HD23 LEU 14 -0.143 3.302 3.974 123 H TYR 15 H TYR 15 -1.449 4.804 8.485 124 HA TYR 15 HA TYR 15 -0.125 5.779 10.898 125 HB2 TYR 15 HB2 TYR 15 -3.094 5.760 10.381 126 HB3 TYR 15 HB3 TYR 15 -2.455 5.629 12.011 127 HD1 TYR 15 HD1 TYR 15 -0.285 7.581 12.042 128 HD2 TYR 15 HD2 TYR 15 -4.103 7.822 10.210 129 HE1 TYR 15 HE1 TYR 15 -0.220 10.024 12.235 130 HE2 TYR 15 HE2 TYR 15 -4.046 10.267 10.391 131 HH TYR 15 HH TYR 15 -2.938 11.977 11.783 132 H LYS 16 H LYS 16 -0.319 4.279 12.666 133 HA LYS 16 HA LYS 16 -0.819 1.512 11.866 134 HB2 LYS 16 HB2 LYS 16 0.521 2.809 14.221 135 HB3 LYS 16 HB3 LYS 16 -0.002 1.135 14.305 136 HG2 LYS 16 HG2 LYS 16 1.471 0.495 12.571 137 HG3 LYS 16 HG3 LYS 16 1.836 2.170 12.165 138 HD2 LYS 16 HD2 LYS 16 3.679 1.256 13.414 139 HD3 LYS 16 HD3 LYS 16 2.843 2.430 14.432 140 HE2 LYS 16 HE2 LYS 16 1.623 0.551 15.504 141 HE3 LYS 16 HE3 LYS 16 2.596 -0.572 14.554 142 HZ1 LYS 16 HZ1 LYS 16 3.648 1.390 16.521 143 HZ2 LYS 16 HZ2 LYS 16 4.577 0.294 15.617 144 HZ3 LYS 16 HZ3 LYS 16 3.486 -0.280 16.776 145 H LEU 17 H LEU 17 -2.875 0.943 11.994 146 HA LEU 17 HA LEU 17 -4.750 2.166 13.775 147 HB2 LEU 17 HB2 LEU 17 -5.224 1.247 11.455 148 HB3 LEU 17 HB3 LEU 17 -5.087 -0.354 12.132 149 HG LEU 17 HG LEU 17 -7.433 0.715 11.722 150 HD11 LEU 17 HD11 LEU 17 -6.771 -0.679 14.291 151 HD12 LEU 17 HD12 LEU 17 -7.103 -1.437 12.732 152 HD13 LEU 17 HD13 LEU 17 -8.375 -0.547 13.568 153 HD21 LEU 17 HD21 LEU 17 -7.070 2.781 12.941 154 HD22 LEU 17 HD22 LEU 17 -6.766 1.872 14.422 155 HD23 LEU 17 HD23 LEU 17 -8.366 1.839 13.678 156 H ILE 18 H ILE 18 -4.874 1.738 15.829 157 HA ILE 18 HA ILE 18 -3.757 -0.748 16.908 158 HB ILE 18 HB ILE 18 -4.512 1.835 18.314 159 HG12 ILE 18 HG12 ILE 18 -1.750 0.752 17.716 160 HG13 ILE 18 HG13 ILE 18 -2.561 1.945 16.712 161 HG21 ILE 18 HG21 ILE 18 -3.056 -0.590 19.377 162 HG22 ILE 18 HG22 ILE 18 -4.682 -0.070 19.823 163 HG23 ILE 18 HG23 ILE 18 -3.291 0.929 20.243 164 HD11 ILE 18 HD11 ILE 18 -2.606 3.494 18.602 165 HD12 ILE 18 HD12 ILE 18 -0.965 2.995 18.194 166 HD13 ILE 18 HD13 ILE 18 -1.776 2.297 19.596 167 H SER 19 H SER 19 -6.610 1.342 17.180 168 HA SER 19 HA SER 19 -8.288 -0.978 17.711 169 HB2 SER 19 HB2 SER 19 -7.596 -0.083 19.938 170 HB3 SER 19 HB3 SER 19 -8.279 1.478 19.489 171 HG SER 19 HG SER 19 -9.937 0.580 20.499 172 H GLN 20 H GLN 20 -10.297 -0.736 16.794 173 HA GLN 20 HA GLN 20 -10.815 1.868 15.517 174 HB2 GLN 20 HB2 GLN 20 -10.231 -0.060 13.978 175 HB3 GLN 20 HB3 GLN 20 -11.727 -0.825 14.489 176 HG2 GLN 20 HG2 GLN 20 -13.001 1.052 13.607 177 HG3 GLN 20 HG3 GLN 20 -11.505 1.843 13.111 178 HE21 GLN 20 HE21 GLN 20 -10.353 1.031 11.373 179 HE22 GLN 20 HE22 GLN 20 -11.045 -0.081 10.244 180 H GLY 21 H GLY 21 -12.818 2.750 15.717 181 HA2 GLY 21 HA2 GLY 21 -14.898 1.157 17.063 182 HA3 GLY 21 HA3 GLY 21 -14.509 2.781 17.610 183 H LYS 22 H LYS 22 -16.762 3.198 17.217 184 HA LYS 22 HA LYS 22 -17.679 3.327 14.453 185 HB2 LYS 22 HB2 LYS 22 -19.005 4.197 17.036 186 HB3 LYS 22 HB3 LYS 22 -19.772 4.195 15.456 187 HG2 LYS 22 HG2 LYS 22 -19.889 1.890 15.364 188 HG3 LYS 22 HG3 LYS 22 -18.623 1.673 16.574 189 HD2 LYS 22 HD2 LYS 22 -21.351 2.835 17.154 190 HD3 LYS 22 HD3 LYS 22 -20.924 1.138 17.390 191 HE2 LYS 22 HE2 LYS 22 -19.180 1.784 18.967 192 HE3 LYS 22 HE3 LYS 22 -19.563 3.483 18.709 193 HZ1 LYS 22 HZ1 LYS 22 -21.373 1.453 19.887 194 HZ2 LYS 22 HZ2 LYS 22 -21.765 3.080 19.618 195 HZ3 LYS 22 HZ3 LYS 22 -20.557 2.673 20.731 196 H ASN 23 H ASN 23 -17.651 5.097 13.234 197 HA ASN 23 HA ASN 23 -17.386 7.192 12.445 198 HB2 ASN 23 HB2 ASN 23 -17.651 8.013 15.327 199 HB3 ASN 23 HB3 ASN 23 -17.261 9.176 14.071 200 HD21 ASN 23 HD21 ASN 23 -19.158 10.301 14.453 201 HD22 ASN 23 HD22 ASN 23 -20.701 9.708 13.946 202 H MET 24 H MET 24 -15.374 6.892 15.370 203 HA MET 24 HA MET 24 -13.059 7.711 13.733 204 HB2 MET 24 HB2 MET 24 -12.077 8.709 15.758 205 HB3 MET 24 HB3 MET 24 -13.585 9.488 15.304 206 HG2 MET 24 HG2 MET 24 -14.722 8.625 17.098 207 HG3 MET 24 HG3 MET 24 -13.594 7.296 17.326 208 HE1 MET 24 HE1 MET 24 -10.782 8.616 17.324 209 HE2 MET 24 HE2 MET 24 -11.343 7.451 18.523 210 HE3 MET 24 HE3 MET 24 -10.577 8.950 19.045 211 H LEU 25 H LEU 25 -10.992 7.002 14.625 212 HA LEU 25 HA LEU 25 -11.076 4.700 16.358 213 HB2 LEU 25 HB2 LEU 25 -9.393 3.504 14.844 214 HB3 LEU 25 HB3 LEU 25 -11.089 3.386 14.489 215 HG LEU 25 HG LEU 25 -9.589 3.491 12.508 216 HD11 LEU 25 HD11 LEU 25 -11.598 5.695 12.713 217 HD12 LEU 25 HD12 LEU 25 -11.904 4.015 12.280 218 HD13 LEU 25 HD13 LEU 25 -10.941 5.037 11.210 219 HD21 LEU 25 HD21 LEU 25 -9.134 6.355 13.299 220 HD22 LEU 25 HD22 LEU 25 -8.684 5.622 11.758 221 HD23 LEU 25 HD23 LEU 25 -7.927 5.070 13.251 222 H ILE 26 H ILE 26 -8.791 3.919 16.736 223 HA ILE 26 HA ILE 26 -7.194 6.259 17.528 224 HB ILE 26 HB ILE 26 -7.504 3.527 18.767 225 HG12 ILE 26 HG12 ILE 26 -9.324 5.046 19.292 226 HG13 ILE 26 HG13 ILE 26 -8.351 4.768 20.731 227 HG21 ILE 26 HG21 ILE 26 -5.158 4.164 18.969 228 HG22 ILE 26 HG22 ILE 26 -5.945 4.243 20.545 229 HG23 ILE 26 HG23 ILE 26 -5.622 5.727 19.648 230 HD11 ILE 26 HD11 ILE 26 -8.278 7.214 18.970 231 HD12 ILE 26 HD12 ILE 26 -7.262 6.946 20.387 232 HD13 ILE 26 HD13 ILE 26 -9.010 7.094 20.572 233 H VAL 27 H VAL 27 -5.446 6.511 16.337 234 HA VAL 27 HA VAL 27 -4.008 4.126 15.395 235 HB VAL 27 HB VAL 27 -3.233 5.537 13.446 236 HG11 VAL 27 HG11 VAL 27 -5.248 5.162 12.116 237 HG12 VAL 27 HG12 VAL 27 -6.166 4.896 13.598 238 HG13 VAL 27 HG13 VAL 27 -4.871 3.784 13.152 239 HG21 VAL 27 HG21 VAL 27 -5.559 7.278 14.254 240 HG22 VAL 27 HG22 VAL 27 -4.622 7.425 12.766 241 HG23 VAL 27 HG23 VAL 27 -3.857 7.732 14.326 242 H GLU 28 H GLU 28 -1.694 4.496 15.006 243 HA GLU 28 HA GLU 28 -0.554 6.666 16.627 244 HB2 GLU 28 HB2 GLU 28 -0.085 4.421 17.503 245 HB3 GLU 28 HB3 GLU 28 0.544 3.923 15.941 246 HG2 GLU 28 HG2 GLU 28 2.400 5.480 16.179 247 HG3 GLU 28 HG3 GLU 28 1.752 6.035 17.721 248 H THR 29 H THR 29 0.862 8.028 15.637 249 HA THR 29 HA THR 29 1.046 8.084 12.805 250 HB THR 29 HB THR 29 2.937 9.580 14.602 251 HG1 THR 29 HG1 THR 29 0.186 9.679 14.600 252 HG21 THR 29 HG21 THR 29 3.154 9.872 12.180 253 HG22 THR 29 HG22 THR 29 2.599 11.356 12.952 254 HG23 THR 29 HG23 THR 29 1.452 10.337 12.084 255 H VAL 30 H VAL 30 2.334 6.914 11.562 256 HA VAL 30 HA VAL 30 4.420 5.312 12.610 257 HB VAL 30 HB VAL 30 4.897 4.734 10.234 258 HG11 VAL 30 HG11 VAL 30 2.747 3.639 9.798 259 HG12 VAL 30 HG12 VAL 30 1.994 4.643 11.040 260 HG13 VAL 30 HG13 VAL 30 3.241 3.477 11.483 261 HG21 VAL 30 HG21 VAL 30 3.401 5.530 8.476 262 HG22 VAL 30 HG22 VAL 30 4.344 6.851 9.168 263 HG23 VAL 30 HG23 VAL 30 2.650 6.646 9.618 264 H ASP 31 H ASP 31 4.298 8.460 11.189 265 HA ASP 31 HA ASP 31 7.217 8.586 10.949 266 HB2 ASP 31 HB2 ASP 31 6.789 10.589 9.538 267 HB3 ASP 31 HB3 ASP 31 6.016 9.142 8.906 268 H ALA 32 H ALA 32 8.212 10.624 11.447 269 HA ALA 32 HA ALA 32 8.861 12.312 12.768 270 HB1 ALA 32 HB1 ALA 32 7.411 14.221 12.750 271 HB2 ALA 32 HB2 ALA 32 6.010 13.195 12.443 272 HB3 ALA 32 HB3 ALA 32 7.269 13.355 11.218 273 H ALA 33 H ALA 33 5.712 12.748 14.159 274 HA ALA 33 HA ALA 33 6.899 13.008 16.752 275 HB1 ALA 33 HB1 ALA 33 5.174 14.550 15.946 276 HB2 ALA 33 HB2 ALA 33 4.700 13.781 17.462 277 HB3 ALA 33 HB3 ALA 33 4.004 13.234 15.935 278 H LYS 34 H LYS 34 4.965 10.626 15.129 279 HA LYS 34 HA LYS 34 4.130 8.581 15.669 280 HB2 LYS 34 HB2 LYS 34 6.503 8.703 17.533 281 HB3 LYS 34 HB3 LYS 34 5.542 7.246 17.304 282 HG2 LYS 34 HG2 LYS 34 6.418 6.828 15.261 283 HG3 LYS 34 HG3 LYS 34 6.531 8.538 14.841 284 HD2 LYS 34 HD2 LYS 34 8.524 8.795 16.131 285 HD3 LYS 34 HD3 LYS 34 8.359 7.178 16.814 286 HE2 LYS 34 HE2 LYS 34 10.073 7.274 15.055 287 HE3 LYS 34 HE3 LYS 34 8.754 6.185 14.636 288 HZ1 LYS 34 HZ1 LYS 34 9.077 8.965 13.636 289 HZ2 LYS 34 HZ2 LYS 34 7.842 7.888 13.197 290 HZ3 LYS 34 HZ3 LYS 34 9.443 7.562 12.766 291 H LYS 35 H LYS 35 2.463 10.300 16.599 292 HA LYS 35 HA LYS 35 2.033 9.894 19.476 293 HB2 LYS 35 HB2 LYS 35 0.450 11.819 19.263 294 HB3 LYS 35 HB3 LYS 35 2.103 12.224 18.854 295 HG2 LYS 35 HG2 LYS 35 1.621 12.243 16.523 296 HG3 LYS 35 HG3 LYS 35 0.023 11.553 16.797 297 HD2 LYS 35 HD2 LYS 35 0.887 14.236 17.854 298 HD3 LYS 35 HD3 LYS 35 0.058 14.009 16.312 299 HE2 LYS 35 HE2 LYS 35 -1.825 12.980 17.468 300 HE3 LYS 35 HE3 LYS 35 -0.997 13.181 19.012 301 HZ1 LYS 35 HZ1 LYS 35 -2.627 14.915 18.637 302 HZ2 LYS 35 HZ2 LYS 35 -1.839 15.380 17.209 303 HZ3 LYS 35 HZ3 LYS 35 -1.062 15.562 18.703 304 H ARG 36 H ARG 36 -0.352 9.803 20.141 305 HA ARG 36 HA ARG 36 -1.779 7.972 18.387 306 HB2 ARG 36 HB2 ARG 36 -3.203 7.476 20.192 307 HB3 ARG 36 HB3 ARG 36 -1.624 7.677 20.925 308 HG2 ARG 36 HG2 ARG 36 -2.385 10.077 21.436 309 HG3 ARG 36 HG3 ARG 36 -4.005 9.489 21.070 310 HD2 ARG 36 HD2 ARG 36 -3.814 9.257 23.377 311 HD3 ARG 36 HD3 ARG 36 -3.506 7.636 22.751 312 HE ARG 36 HE ARG 36 -1.129 9.212 23.106 313 HH11 ARG 36 HH11 ARG 36 -3.353 6.980 24.636 314 HH12 ARG 36 HH12 ARG 36 -2.244 6.549 25.901 315 HH21 ARG 36 HH21 ARG 36 0.315 8.667 24.750 316 HH22 ARG 36 HH22 ARG 36 -0.157 7.530 25.976 317 H VAL 37 H VAL 37 -3.368 8.533 17.065 318 HA VAL 37 HA VAL 37 -4.279 11.337 17.154 319 HB VAL 37 HB VAL 37 -4.066 9.785 14.571 320 HG11 VAL 37 HG11 VAL 37 -5.395 11.845 14.601 321 HG12 VAL 37 HG12 VAL 37 -3.974 11.991 13.564 322 HG13 VAL 37 HG13 VAL 37 -3.979 12.737 15.163 323 HG21 VAL 37 HG21 VAL 37 -1.822 9.750 15.537 324 HG22 VAL 37 HG22 VAL 37 -1.882 11.499 15.754 325 HG23 VAL 37 HG23 VAL 37 -1.893 10.813 14.129 326 HA PRO 38 HA PRO 38 -8.392 9.439 16.860 327 HB2 PRO 38 HB2 PRO 38 -9.395 12.166 16.861 328 HB3 PRO 38 HB3 PRO 38 -9.631 10.903 18.067 329 HG2 PRO 38 HG2 PRO 38 -8.139 13.125 18.532 330 HG3 PRO 38 HG3 PRO 38 -7.819 11.563 19.307 331 HD2 PRO 38 HD2 PRO 38 -6.452 12.829 16.962 332 HD3 PRO 38 HD3 PRO 38 -5.750 11.945 18.335 333 H ALA 39 H ALA 39 -8.669 8.741 14.816 334 HA ALA 39 HA ALA 39 -8.694 10.746 12.647 335 HB1 ALA 39 HB1 ALA 39 -6.734 9.286 12.493 336 HB2 ALA 39 HB2 ALA 39 -7.838 9.026 11.143 337 HB3 ALA 39 HB3 ALA 39 -7.787 7.870 12.475 338 H TYR 40 H TYR 40 -10.238 10.439 10.997 339 HA TYR 40 HA TYR 40 -12.560 8.990 12.067 340 HB2 TYR 40 HB2 TYR 40 -12.645 11.425 10.262 341 HB3 TYR 40 HB3 TYR 40 -13.982 10.704 11.150 342 HD1 TYR 40 HD1 TYR 40 -13.574 10.556 13.786 343 HD2 TYR 40 HD2 TYR 40 -11.652 13.317 11.180 344 HE1 TYR 40 HE1 TYR 40 -13.046 11.996 15.710 345 HE2 TYR 40 HE2 TYR 40 -11.129 14.766 13.097 346 HH TYR 40 HH TYR 40 -12.005 15.197 15.383 347 H ALA 41 H ALA 41 -13.808 7.752 10.761 348 HA ALA 41 HA ALA 41 -12.561 6.646 8.431 349 HB1 ALA 41 HB1 ALA 41 -15.279 6.078 9.600 350 HB2 ALA 41 HB2 ALA 41 -13.778 5.259 10.029 351 HB3 ALA 41 HB3 ALA 41 -14.437 5.095 8.401 352 H HIS 42 H HIS 42 -14.612 9.241 8.923 353 HA HIS 42 HA HIS 42 -16.115 9.388 6.556 354 HB2 HIS 42 HB2 HIS 42 -16.584 10.791 8.476 355 HB3 HIS 42 HB3 HIS 42 -14.995 11.532 8.379 356 HD1 HIS 42 HD1 HIS 42 -15.037 13.774 7.380 357 HD2 HIS 42 HD2 HIS 42 -18.135 11.410 5.932 358 HE1 HIS 42 HE1 HIS 42 -16.333 15.248 5.815 359 HE2 HIS 42 HE2 HIS 42 -18.317 13.864 5.121 360 H ASP 43 H ASP 43 -12.763 10.184 7.250 361 HA ASP 43 HA ASP 43 -12.336 11.633 4.807 362 HB2 ASP 43 HB2 ASP 43 -10.417 10.544 6.884 363 HB3 ASP 43 HB3 ASP 43 -9.904 11.482 5.482 364 H LYS 44 H LYS 44 -10.309 8.962 5.839 365 HA LYS 44 HA LYS 44 -11.025 7.228 3.672 366 HB2 LYS 44 HB2 LYS 44 -8.824 9.101 3.313 367 HB3 LYS 44 HB3 LYS 44 -8.260 7.439 3.245 368 HG2 LYS 44 HG2 LYS 44 -10.509 8.536 1.567 369 HG3 LYS 44 HG3 LYS 44 -8.831 8.414 1.036 370 HD2 LYS 44 HD2 LYS 44 -8.926 5.974 1.403 371 HD3 LYS 44 HD3 LYS 44 -10.621 6.129 1.864 372 HE2 LYS 44 HE2 LYS 44 -9.489 6.929 -0.818 373 HE3 LYS 44 HE3 LYS 44 -10.294 5.398 -0.485 374 HZ1 LYS 44 HZ1 LYS 44 -11.539 8.079 -0.184 375 HZ2 LYS 44 HZ2 LYS 44 -12.305 6.585 0.055 376 HZ3 LYS 44 HZ3 LYS 44 -11.781 7.030 -1.493 377 H VAL 45 H VAL 45 -11.343 5.743 5.320 378 HA VAL 45 HA VAL 45 -8.855 4.786 6.555 379 HB VAL 45 HB VAL 45 -11.702 4.626 7.572 380 HG11 VAL 45 HG11 VAL 45 -10.908 3.267 9.448 381 HG12 VAL 45 HG12 VAL 45 -9.322 3.143 8.687 382 HG13 VAL 45 HG13 VAL 45 -10.729 2.412 7.915 383 HG21 VAL 45 HG21 VAL 45 -10.729 5.670 9.566 384 HG22 VAL 45 HG22 VAL 45 -10.466 6.643 8.118 385 HG23 VAL 45 HG23 VAL 45 -9.148 5.676 8.782 386 H ILE 46 H ILE 46 -8.109 3.480 5.126 387 HA ILE 46 HA ILE 46 -9.549 0.986 4.508 388 HB ILE 46 HB ILE 46 -7.746 2.463 2.541 389 HG12 ILE 46 HG12 ILE 46 -9.935 3.599 2.641 390 HG13 ILE 46 HG13 ILE 46 -9.654 2.836 1.084 391 HG21 ILE 46 HG21 ILE 46 -9.279 -0.103 2.192 392 HG22 ILE 46 HG22 ILE 46 -7.527 0.089 2.287 393 HG23 ILE 46 HG23 ILE 46 -8.413 0.743 0.908 394 HD11 ILE 46 HD11 ILE 46 -11.427 1.791 3.280 395 HD12 ILE 46 HD12 ILE 46 -11.135 0.997 1.732 396 HD13 ILE 46 HD13 ILE 46 -11.953 2.559 1.780 397 H SER 47 H SER 47 -8.194 -0.733 5.118 398 HA SER 47 HA SER 47 -5.585 -0.106 6.121 399 HB2 SER 47 HB2 SER 47 -6.936 -1.863 7.170 400 HB3 SER 47 HB3 SER 47 -6.917 -2.792 5.675 401 HG SER 47 HG SER 47 -4.568 -2.059 7.087 402 H LEU 48 H LEU 48 -3.573 -0.709 5.274 403 HA LEU 48 HA LEU 48 -3.319 -0.717 2.442 404 HB2 LEU 48 HB2 LEU 48 -1.714 0.204 4.213 405 HB3 LEU 48 HB3 LEU 48 -1.177 -1.447 4.434 406 HG LEU 48 HG LEU 48 -1.069 -0.293 1.677 407 HD11 LEU 48 HD11 LEU 48 1.121 0.670 2.139 408 HD12 LEU 48 HD12 LEU 48 0.941 0.282 3.851 409 HD13 LEU 48 HD13 LEU 48 -0.133 1.462 3.095 410 HD21 LEU 48 HD21 LEU 48 0.716 -2.137 3.253 411 HD22 LEU 48 HD22 LEU 48 0.941 -1.682 1.564 412 HD23 LEU 48 HD23 LEU 48 -0.473 -2.621 2.045 413 H ALA 49 H ALA 49 -3.281 -3.195 4.921 414 HA ALA 49 HA ALA 49 -2.527 -5.338 3.173 415 HB1 ALA 49 HB1 ALA 49 -2.024 -5.398 5.552 416 HB2 ALA 49 HB2 ALA 49 -3.009 -6.780 5.071 417 HB3 ALA 49 HB3 ALA 49 -3.747 -5.421 5.921 418 H ASP 50 H ASP 50 -5.351 -3.592 3.577 419 HA ASP 50 HA ASP 50 -7.221 -5.743 3.017 420 HB2 ASP 50 HB2 ASP 50 -7.818 -3.961 4.618 421 HB3 ASP 50 HB3 ASP 50 -7.658 -2.759 3.342 422 H ILE 51 H ILE 51 -5.583 -3.134 1.356 423 HA ILE 51 HA ILE 51 -7.142 -3.140 -1.029 424 HB ILE 51 HB ILE 51 -4.230 -2.314 -0.683 425 HG12 ILE 51 HG12 ILE 51 -6.207 -0.203 -1.044 426 HG13 ILE 51 HG13 ILE 51 -6.461 -1.119 0.442 427 HG21 ILE 51 HG21 ILE 51 -6.203 -1.632 -2.868 428 HG22 ILE 51 HG22 ILE 51 -4.810 -2.700 -3.027 429 HG23 ILE 51 HG23 ILE 51 -4.571 -0.979 -2.720 430 HD11 ILE 51 HD11 ILE 51 -3.925 0.260 -0.387 431 HD12 ILE 51 HD12 ILE 51 -4.172 -0.638 1.112 432 HD13 ILE 51 HD13 ILE 51 -5.083 0.843 0.810 433 H ALA 52 H ALA 52 -7.075 -4.482 -2.739 434 HA ALA 52 HA ALA 52 -4.675 -6.113 -3.189 435 HB1 ALA 52 HB1 ALA 52 -6.060 -7.974 -3.973 436 HB2 ALA 52 HB2 ALA 52 -7.518 -7.076 -3.554 437 HB3 ALA 52 HB3 ALA 52 -6.409 -7.596 -2.286 438 H MET 53 H MET 53 -4.393 -6.691 -5.457 439 HA MET 53 HA MET 53 -5.872 -4.959 -7.308 440 HB2 MET 53 HB2 MET 53 -2.890 -5.407 -7.224 441 HB3 MET 53 HB3 MET 53 -3.716 -4.848 -8.672 442 HG2 MET 53 HG2 MET 53 -4.565 -2.912 -7.382 443 HG3 MET 53 HG3 MET 53 -3.598 -3.450 -6.010 444 HE1 MET 53 HE1 MET 53 -0.952 -3.529 -6.011 445 HE2 MET 53 HE2 MET 53 0.041 -3.103 -7.407 446 HE3 MET 53 HE3 MET 53 -0.981 -4.542 -7.456 447 H TYR 54 H TYR 54 -5.841 -5.789 -9.537 448 HA TYR 54 HA TYR 54 -6.142 -8.699 -9.313 449 HB2 TYR 54 HB2 TYR 54 -7.690 -6.779 -11.062 450 HB3 TYR 54 HB3 TYR 54 -7.962 -8.516 -10.939 451 HD1 TYR 54 HD2 TYR 54 -8.865 -9.471 -8.830 452 HD2 TYR 54 HD1 TYR 54 -8.555 -5.277 -9.438 453 HE1 TYR 54 HE2 TYR 54 -10.409 -9.094 -6.959 454 HE2 TYR 54 HE1 TYR 54 -10.095 -4.885 -7.570 455 HH TYR 54 HH TYR 54 -10.940 -7.304 -5.343 456 H THR 55 H THR 55 -5.681 -10.002 -11.019 457 HA THR 55 HA THR 55 -4.240 -8.943 -13.300 458 HB THR 55 HB THR 55 -2.442 -9.154 -11.693 459 HG1 THR 55 HG1 THR 55 -1.115 -10.707 -12.721 460 HG21 THR 55 HG21 THR 55 -3.340 -11.984 -11.212 461 HG22 THR 55 HG22 THR 55 -3.471 -10.635 -10.082 462 HG23 THR 55 HG23 THR 55 -1.883 -11.242 -10.555 463 H ASP 56 H ASP 56 -3.427 -11.223 -14.501 464 HA ASP 56 HA ASP 56 -5.791 -12.649 -15.204 465 HB2 ASP 56 HB2 ASP 56 -4.014 -12.263 -16.813 466 HB3 ASP 56 HB3 ASP 56 -2.870 -13.148 -15.814 467 H ALA 57 H ALA 57 -3.201 -13.165 -12.958 468 HA ALA 57 HA ALA 57 -4.063 -15.830 -12.192 469 HB1 ALA 57 HB1 ALA 57 -2.232 -15.685 -10.550 470 HB2 ALA 57 HB2 ALA 57 -1.955 -14.005 -11.012 471 HB3 ALA 57 HB3 ALA 57 -1.683 -15.300 -12.180 472 H GLU 58 H GLU 58 -3.707 -15.602 -9.383 473 HA GLU 58 HA GLU 58 -6.250 -14.813 -8.472 474 HB2 GLU 58 HB2 GLU 58 -3.694 -15.469 -7.020 475 HB3 GLU 58 HB3 GLU 58 -5.116 -14.922 -6.150 476 HG2 GLU 58 HG2 GLU 58 -5.043 -17.289 -6.027 477 HG3 GLU 58 HG3 GLU 58 -6.363 -16.852 -7.108 478 H GLU 59 H GLU 59 -6.857 -13.156 -7.002 479 HA GLU 59 HA GLU 59 -5.755 -10.595 -7.531 480 HB2 GLU 59 HB2 GLU 59 -7.310 -9.870 -5.649 481 HB3 GLU 59 HB3 GLU 59 -8.050 -10.601 -7.061 482 HG2 GLU 59 HG2 GLU 59 -8.490 -12.610 -5.922 483 HG3 GLU 59 HG3 GLU 59 -7.428 -12.175 -4.585 484 H VAL 60 H VAL 60 -3.848 -10.052 -6.865 485 HA VAL 60 HA VAL 60 -2.803 -11.114 -4.375 486 HB VAL 60 HB VAL 60 -0.646 -9.942 -5.150 487 HG11 VAL 60 HG11 VAL 60 -0.964 -12.349 -5.231 488 HG12 VAL 60 HG12 VAL 60 -0.096 -11.795 -6.662 489 HG13 VAL 60 HG13 VAL 60 -1.809 -12.207 -6.773 490 HG21 VAL 60 HG21 VAL 60 -0.465 -9.571 -7.570 491 HG22 VAL 60 HG22 VAL 60 -1.625 -8.472 -6.825 492 HG23 VAL 60 HG23 VAL 60 -2.195 -9.867 -7.745 493 HA PRO 61 HA PRO 61 -3.858 -7.415 -2.095 494 HB2 PRO 61 HB2 PRO 61 -1.839 -8.487 -0.212 495 HB3 PRO 61 HB3 PRO 61 -3.532 -8.071 0.067 496 HG2 PRO 61 HG2 PRO 61 -2.714 -10.619 -0.055 497 HG3 PRO 61 HG3 PRO 61 -4.296 -10.119 -0.680 498 HD2 PRO 61 HD2 PRO 61 -1.777 -10.745 -2.153 499 HD3 PRO 61 HD3 PRO 61 -3.455 -11.109 -2.596 500 H LEU 62 H LEU 62 -2.825 -5.557 -1.267 501 HA LEU 62 HA LEU 62 -0.843 -4.563 -2.994 502 HB2 LEU 62 HB2 LEU 62 -2.705 -3.376 -1.538 503 HB3 LEU 62 HB3 LEU 62 -1.384 -3.209 -0.398 504 HG LEU 62 HG LEU 62 -0.050 -2.057 -2.166 505 HD11 LEU 62 HD11 LEU 62 -1.236 -1.264 -4.168 506 HD12 LEU 62 HD12 LEU 62 -2.658 -2.194 -3.695 507 HD13 LEU 62 HD13 LEU 62 -1.159 -3.025 -4.119 508 HD21 LEU 62 HD21 LEU 62 -2.720 -0.832 -1.534 509 HD22 LEU 62 HD22 LEU 62 -1.300 0.030 -2.127 510 HD23 LEU 62 HD23 LEU 62 -1.260 -0.750 -0.545 511 H SER 63 H SER 63 -0.702 -5.645 0.361 512 HA SER 63 HA SER 63 1.933 -4.923 0.971 513 HB2 SER 63 HB2 SER 63 0.320 -7.241 2.055 514 HB3 SER 63 HB3 SER 63 1.741 -6.523 2.819 515 HG SER 63 HG SER 63 0.535 -4.951 3.538 516 H GLU 64 H GLU 64 0.715 -7.677 -0.846 517 HA GLU 64 HA GLU 64 3.062 -9.312 -0.667 518 HB2 GLU 64 HB2 GLU 64 0.860 -9.294 -2.751 519 HB3 GLU 64 HB3 GLU 64 2.079 -10.545 -2.590 520 HG2 GLU 64 HG2 GLU 64 0.035 -9.852 -0.508 521 HG3 GLU 64 HG3 GLU 64 -0.125 -11.157 -1.683 522 H VAL 65 H VAL 65 1.755 -7.141 -3.129 523 HA VAL 65 HA VAL 65 3.977 -7.610 -4.905 524 HB VAL 65 HB VAL 65 2.738 -5.978 -6.402 525 HG11 VAL 65 HG11 VAL 65 1.037 -7.640 -6.986 526 HG12 VAL 65 HG12 VAL 65 1.313 -8.459 -5.447 527 HG13 VAL 65 HG13 VAL 65 2.597 -8.394 -6.657 528 HG21 VAL 65 HG21 VAL 65 0.385 -5.558 -5.867 529 HG22 VAL 65 HG22 VAL 65 1.461 -4.798 -4.693 530 HG23 VAL 65 HG23 VAL 65 0.613 -6.291 -4.282 531 H LEU 66 H LEU 66 3.061 -5.194 -2.636 532 HA LEU 66 HA LEU 66 4.830 -3.108 -3.427 533 HB2 LEU 66 HB2 LEU 66 3.106 -2.474 -2.044 534 HB3 LEU 66 HB3 LEU 66 3.255 -3.879 -1.027 535 HG LEU 66 HG LEU 66 5.350 -2.773 -0.102 536 HD11 LEU 66 HD11 LEU 66 5.647 -1.103 -1.852 537 HD12 LEU 66 HD12 LEU 66 5.365 -0.334 -0.289 538 HD13 LEU 66 HD13 LEU 66 4.064 -0.424 -1.477 539 HD21 LEU 66 HD21 LEU 66 3.935 -1.421 1.388 540 HD22 LEU 66 HD22 LEU 66 3.256 -3.018 1.073 541 HD23 LEU 66 HD23 LEU 66 2.598 -1.605 0.249 542 H GLU 67 H GLU 67 5.071 -5.944 -1.346 543 HA GLU 67 HA GLU 67 7.760 -5.432 -0.572 544 HB2 GLU 67 HB2 GLU 67 5.923 -7.776 -0.364 545 HB3 GLU 67 HB3 GLU 67 7.645 -8.001 -0.070 546 HG2 GLU 67 HG2 GLU 67 5.850 -6.056 1.349 547 HG3 GLU 67 HG3 GLU 67 6.458 -7.584 1.997 548 H ALA 68 H ALA 68 6.247 -7.195 -3.220 549 HA ALA 68 HA ALA 68 8.552 -8.513 -4.158 550 HB1 ALA 68 HB1 ALA 68 6.160 -7.583 -5.731 551 HB2 ALA 68 HB2 ALA 68 6.301 -9.114 -4.869 552 HB3 ALA 68 HB3 ALA 68 7.344 -8.785 -6.252 553 H VAL 69 H VAL 69 7.192 -5.320 -5.037 554 HA VAL 69 HA VAL 69 9.289 -4.777 -6.906 555 HB VAL 69 HB VAL 69 8.416 -2.458 -7.035 556 HG11 VAL 69 HG11 VAL 69 6.265 -3.019 -8.045 557 HG12 VAL 69 HG12 VAL 69 6.321 -4.605 -7.273 558 HG13 VAL 69 HG13 VAL 69 7.523 -4.173 -8.490 559 HG21 VAL 69 HG21 VAL 69 6.379 -3.385 -5.005 560 HG22 VAL 69 HG22 VAL 69 6.307 -1.880 -5.919 561 HG23 VAL 69 HG23 VAL 69 7.608 -2.140 -4.757 562 H LYS 70 H LYS 70 8.853 -4.088 -3.474 563 HA LYS 70 HA LYS 70 11.056 -2.278 -3.270 564 HB2 LYS 70 HB2 LYS 70 9.205 -2.503 -1.582 565 HB3 LYS 70 HB3 LYS 70 9.933 -4.024 -1.072 566 HG2 LYS 70 HG2 LYS 70 12.056 -2.653 -0.664 567 HG3 LYS 70 HG3 LYS 70 11.008 -1.239 -0.786 568 HD2 LYS 70 HD2 LYS 70 11.102 -1.716 1.509 569 HD3 LYS 70 HD3 LYS 70 9.556 -2.382 0.978 570 HE2 LYS 70 HE2 LYS 70 10.657 -4.603 0.760 571 HE3 LYS 70 HE3 LYS 70 12.120 -3.901 1.451 572 HZ1 LYS 70 HZ1 LYS 70 9.467 -4.106 2.772 573 HZ2 LYS 70 HZ2 LYS 70 10.834 -3.356 3.448 574 HZ3 LYS 70 HZ3 LYS 70 10.847 -5.019 3.140 575 H LYS 71 H LYS 71 10.748 -5.797 -3.024 576 HA LYS 71 HA LYS 71 13.343 -6.242 -1.901 577 HB2 LYS 71 HB2 LYS 71 11.213 -8.022 -3.013 578 HB3 LYS 71 HB3 LYS 71 12.802 -8.674 -2.652 579 HG2 LYS 71 HG2 LYS 71 12.582 -8.079 -0.342 580 HG3 LYS 71 HG3 LYS 71 11.086 -7.203 -0.667 581 HD2 LYS 71 HD2 LYS 71 10.104 -9.372 -1.461 582 HD3 LYS 71 HD3 LYS 71 11.558 -10.168 -0.852 583 HE2 LYS 71 HE2 LYS 71 11.096 -9.437 1.380 584 HE3 LYS 71 HE3 LYS 71 9.751 -8.441 0.824 585 HZ1 LYS 71 HZ1 LYS 71 9.911 -11.402 0.748 586 HZ2 LYS 71 HZ2 LYS 71 8.642 -10.490 0.089 587 HZ3 LYS 71 HZ3 LYS 71 8.923 -10.469 1.763 588 H LYS 72 H LYS 72 12.168 -6.028 -5.196 589 HA LYS 72 HA LYS 72 14.416 -7.299 -6.409 590 HB2 LYS 72 HB2 LYS 72 13.619 -6.450 -8.504 591 HB3 LYS 72 HB3 LYS 72 12.209 -6.909 -7.564 592 HG2 LYS 72 HG2 LYS 72 11.902 -4.527 -6.964 593 HG3 LYS 72 HG3 LYS 72 13.250 -4.132 -8.030 594 HD2 LYS 72 HD2 LYS 72 11.988 -5.179 -9.901 595 HD3 LYS 72 HD3 LYS 72 10.613 -5.361 -8.809 596 HE2 LYS 72 HE2 LYS 72 10.260 -3.363 -10.063 597 HE3 LYS 72 HE3 LYS 72 10.711 -2.878 -8.428 598 HZ1 LYS 72 HZ1 LYS 72 13.013 -2.588 -9.253 599 HZ2 LYS 72 HZ2 LYS 72 11.904 -1.545 -9.998 600 HZ3 LYS 72 HZ3 LYS 72 12.464 -2.909 -10.825 601 H GLU 73 H GLU 73 13.813 -4.135 -5.152 602 HA GLU 73 HA GLU 73 16.318 -3.073 -6.210 603 HB2 GLU 73 HB2 GLU 73 14.138 -1.728 -4.597 604 HB3 GLU 73 HB3 GLU 73 15.529 -0.928 -5.304 605 HG2 GLU 73 HG2 GLU 73 13.276 -2.255 -6.795 606 HG3 GLU 73 HG3 GLU 73 13.569 -0.523 -6.639 607 H ASN 74 H ASN 74 15.280 -4.839 -3.665 608 HA ASN 74 HA ASN 74 16.004 -5.490 -1.652 609 HB2 ASN 74 HB2 ASN 74 18.583 -4.262 -2.635 610 HB3 ASN 74 HB3 ASN 74 18.451 -5.196 -1.147 611 HD21 ASN 74 HD21 ASN 74 18.516 -5.297 -4.599 612 HD22 ASN 74 HD22 ASN 74 18.565 -7.020 -4.762 613 H GLY 75 H GLY 75 14.643 -3.005 -1.767 614 HA2 GLY 75 HA2 GLY 75 13.912 -1.588 -0.075 615 HA3 GLY 75 HA3 GLY 75 15.355 -1.978 0.851 616 H ALA 76 H ALA 76 14.585 -0.434 -2.285 617 HA ALA 76 HA ALA 76 16.724 1.513 -1.778 618 HB1 ALA 76 HB1 ALA 76 16.575 2.049 -4.140 619 HB2 ALA 76 HB2 ALA 76 15.176 0.991 -4.314 620 HB3 ALA 76 HB3 ALA 76 16.755 0.307 -3.921 621 H VAL 77 H VAL 77 13.984 1.520 -0.557 622 HA VAL 77 HA VAL 77 12.510 2.984 0.277 623 HB VAL 77 HB VAL 77 13.832 5.226 -1.278 624 HG11 VAL 77 HG11 VAL 77 12.839 6.648 0.472 625 HG12 VAL 77 HG12 VAL 77 12.052 5.232 1.170 626 HG13 VAL 77 HG13 VAL 77 11.604 5.784 -0.445 627 HG21 VAL 77 HG21 VAL 77 15.472 4.110 0.151 628 HG22 VAL 77 HG22 VAL 77 14.383 4.255 1.530 629 HG23 VAL 77 HG23 VAL 77 15.066 5.704 0.792 630 H ALA 78 H ALA 78 13.043 4.013 -3.118 631 HA ALA 78 HA ALA 78 10.616 3.326 -4.213 632 HB1 ALA 78 HB1 ALA 78 9.544 4.873 -2.642 633 HB2 ALA 78 HB2 ALA 78 9.410 5.455 -4.305 634 HB3 ALA 78 HB3 ALA 78 10.588 6.179 -3.209 635 H SER 79 H SER 79 11.741 3.007 -6.071 636 HA SER 79 HA SER 79 13.734 4.952 -6.909 637 HB2 SER 79 HB2 SER 79 14.064 2.422 -6.932 638 HB3 SER 79 HB3 SER 79 12.987 2.384 -8.325 639 HG SER 79 HG SER 79 15.531 2.733 -8.410 640 H ILE 80 H ILE 80 10.578 5.024 -7.147 641 HA ILE 80 HA ILE 80 10.586 6.338 -9.758 642 HB ILE 80 HB ILE 80 9.614 4.087 -9.986 643 HG12 ILE 80 HG12 ILE 80 7.388 6.111 -10.222 644 HG13 ILE 80 HG13 ILE 80 8.763 6.065 -11.324 645 HG21 ILE 80 HG21 ILE 80 8.776 3.734 -7.755 646 HG22 ILE 80 HG22 ILE 80 7.474 3.520 -8.925 647 HG23 ILE 80 HG23 ILE 80 7.569 5.002 -7.972 648 HD11 ILE 80 HD11 ILE 80 6.741 4.894 -12.164 649 HD12 ILE 80 HD12 ILE 80 6.925 3.740 -10.833 650 HD13 ILE 80 HD13 ILE 80 8.179 3.875 -12.066 651 H ASN 81 H ASN 81 9.226 8.178 -9.887 652 HA ASN 81 HA ASN 81 8.229 9.123 -7.286 653 HB2 ASN 81 HB2 ASN 81 9.241 10.667 -9.667 654 HB3 ASN 81 HB3 ASN 81 8.438 11.417 -8.293 655 HD21 ASN 81 HD21 ASN 81 9.603 9.749 -6.272 656 HD22 ASN 81 HD22 ASN 81 11.277 10.180 -6.167 657 H TYR 82 H TYR 82 6.145 9.312 -7.042 658 HA TYR 82 HA TYR 82 4.511 8.156 -9.090 659 HB2 TYR 82 HB2 TYR 82 2.747 8.156 -7.326 660 HB3 TYR 82 HB3 TYR 82 4.238 7.364 -6.850 661 HD1 TYR 82 HD1 TYR 82 5.770 8.508 -5.219 662 HD2 TYR 82 HD2 TYR 82 1.912 10.031 -6.139 663 HE1 TYR 82 HE1 TYR 82 5.847 9.900 -3.197 664 HE2 TYR 82 HE2 TYR 82 1.981 11.424 -4.125 665 HH TYR 82 HH TYR 82 3.078 11.533 -1.998 666 H LYS 83 H LYS 83 5.132 11.406 -8.351 667 HA LYS 83 HA LYS 83 2.473 12.232 -9.280 668 HB2 LYS 83 HB2 LYS 83 4.534 13.653 -7.633 669 HB3 LYS 83 HB3 LYS 83 3.289 14.551 -8.491 670 HG2 LYS 83 HG2 LYS 83 1.558 13.353 -7.302 671 HG3 LYS 83 HG3 LYS 83 2.771 12.366 -6.490 672 HD2 LYS 83 HD2 LYS 83 2.588 15.366 -6.236 673 HD3 LYS 83 HD3 LYS 83 1.844 14.231 -5.107 674 HE2 LYS 83 HE2 LYS 83 4.051 13.280 -4.621 675 HE3 LYS 83 HE3 LYS 83 4.787 14.427 -5.739 676 HZ1 LYS 83 HZ1 LYS 83 3.313 15.113 -3.256 677 HZ2 LYS 83 HZ2 LYS 83 3.976 16.229 -4.346 678 HZ3 LYS 83 HZ3 LYS 83 4.994 15.189 -3.478 679 H LYS 84 H LYS 84 5.837 12.252 -10.185 680 HA LYS 84 HA LYS 84 5.212 14.119 -12.365 681 HB2 LYS 84 HB2 LYS 84 7.566 14.505 -12.623 682 HB3 LYS 84 HB3 LYS 84 7.167 14.654 -10.919 683 HG2 LYS 84 HG2 LYS 84 8.062 12.414 -10.516 684 HG3 LYS 84 HG3 LYS 84 8.462 12.271 -12.229 685 HD2 LYS 84 HD2 LYS 84 9.829 14.410 -11.893 686 HD3 LYS 84 HD3 LYS 84 9.649 14.096 -10.164 687 HE2 LYS 84 HE2 LYS 84 10.723 11.968 -10.384 688 HE3 LYS 84 HE3 LYS 84 10.786 12.132 -12.140 689 HZ1 LYS 84 HZ1 LYS 84 12.893 12.642 -10.927 690 HZ2 LYS 84 HZ2 LYS 84 12.132 14.020 -10.294 691 HZ3 LYS 84 HZ3 LYS 84 12.349 13.862 -11.967 692 H ALA 85 H ALA 85 5.325 10.850 -11.840 693 HA ALA 85 HA ALA 85 6.332 10.204 -14.510 694 HB1 ALA 85 HB1 ALA 85 5.472 8.358 -12.281 695 HB2 ALA 85 HB2 ALA 85 7.133 8.840 -12.636 696 HB3 ALA 85 HB3 ALA 85 6.224 7.882 -13.805 697 H SER 86 H SER 86 5.105 8.950 -15.953 698 HA SER 86 HA SER 86 2.392 9.761 -16.231 699 HB2 SER 86 HB2 SER 86 3.930 7.614 -17.719 700 HB3 SER 86 HB3 SER 86 2.444 8.397 -18.259 701 HG SER 86 HG SER 86 4.770 9.145 -18.908 702 H ALA 87 H ALA 87 0.517 8.455 -16.253 703 HA ALA 87 HA ALA 87 0.267 6.680 -14.086 704 HB1 ALA 87 HB1 ALA 87 -1.620 7.062 -16.400 705 HB2 ALA 87 HB2 ALA 87 -1.561 8.058 -14.945 706 HB3 ALA 87 HB3 ALA 87 -2.015 6.358 -14.833 707 H ASP 88 H ASP 88 0.749 6.080 -17.516 708 HA ASP 88 HA ASP 88 0.262 3.267 -17.358 709 HB2 ASP 88 HB2 ASP 88 -0.142 4.537 -19.419 710 HB3 ASP 88 HB3 ASP 88 1.585 4.870 -19.550 711 H GLU 89 H GLU 89 3.205 5.271 -17.190 712 HA GLU 89 HA GLU 89 4.980 3.065 -17.578 713 HB2 GLU 89 HB2 GLU 89 6.799 4.517 -17.071 714 HB3 GLU 89 HB3 GLU 89 5.660 5.411 -18.061 715 HG2 GLU 89 HG2 GLU 89 4.883 6.622 -16.143 716 HG3 GLU 89 HG3 GLU 89 5.881 5.636 -15.075 717 H LEU 90 H LEU 90 3.375 4.376 -14.790 718 HA LEU 90 HA LEU 90 4.778 3.152 -12.703 719 HB2 LEU 90 HB2 LEU 90 2.046 4.171 -13.126 720 HB3 LEU 90 HB3 LEU 90 2.197 2.976 -11.858 721 HG LEU 90 HG LEU 90 2.287 5.255 -10.970 722 HD11 LEU 90 HD11 LEU 90 4.920 3.824 -10.747 723 HD12 LEU 90 HD12 LEU 90 3.480 3.527 -9.772 724 HD13 LEU 90 HD13 LEU 90 4.323 5.071 -9.654 725 HD21 LEU 90 HD21 LEU 90 3.272 6.395 -12.887 726 HD22 LEU 90 HD22 LEU 90 4.807 5.581 -12.579 727 HD23 LEU 90 HD23 LEU 90 4.163 6.723 -11.400 728 H HIS 91 H HIS 91 2.543 1.735 -15.052 729 HA HIS 91 HA HIS 91 2.110 -0.746 -13.718 730 HB2 HIS 91 HB2 HIS 91 1.949 -0.051 -16.656 731 HB3 HIS 91 HB3 HIS 91 1.369 -1.547 -15.953 732 HD1 HIS 91 HD1 HIS 91 0.022 1.298 -17.318 733 HD2 HIS 91 HD2 HIS 91 -0.618 -0.633 -13.694 734 HE1 HIS 91 HE1 HIS 91 -2.266 2.004 -16.576 735 HE2 HIS 91 HE2 HIS 91 -2.727 0.611 -14.528 736 H ALA 92 H ALA 92 4.614 0.472 -15.862 737 HA ALA 92 HA ALA 92 5.660 -2.130 -16.526 738 HB1 ALA 92 HB1 ALA 92 7.386 -0.929 -17.739 739 HB2 ALA 92 HB2 ALA 92 6.856 0.590 -17.019 740 HB3 ALA 92 HB3 ALA 92 5.790 -0.282 -18.121 741 H TYR 93 H TYR 93 6.306 0.310 -14.116 742 HA TYR 93 HA TYR 93 8.780 -0.714 -13.139 743 HB2 TYR 93 HB2 TYR 93 7.927 1.555 -12.623 744 HB3 TYR 93 HB3 TYR 93 6.609 0.845 -11.708 745 HD1 TYR 93 HD2 TYR 93 10.272 1.373 -11.759 746 HD2 TYR 93 HD1 TYR 93 6.910 0.180 -9.432 747 HE1 TYR 93 HE2 TYR 93 11.643 1.489 -9.720 748 HE2 TYR 93 HE1 TYR 93 8.275 0.295 -7.392 749 HH TYR 93 HH TYR 93 10.557 0.256 -6.686 750 H PHE 94 H PHE 94 5.444 -1.513 -12.689 751 HA PHE 94 HA PHE 94 5.735 -3.210 -10.401 752 HB2 PHE 94 HB2 PHE 94 3.689 -1.919 -10.966 753 HB3 PHE 94 HB3 PHE 94 3.510 -2.891 -12.417 754 HD1 PHE 94 HD1 PHE 94 3.848 -3.305 -8.749 755 HD2 PHE 94 HD2 PHE 94 2.052 -4.659 -12.357 756 HE1 PHE 94 HE1 PHE 94 2.491 -4.891 -7.473 757 HE2 PHE 94 HE2 PHE 94 0.690 -6.260 -11.078 758 HZ PHE 94 HZ PHE 94 0.916 -6.367 -8.627 759 H ALA 95 H ALA 95 5.762 -3.519 -13.876 760 HA ALA 95 HA ALA 95 5.318 -6.319 -14.084 761 HB1 ALA 95 HB1 ALA 95 4.804 -4.739 -15.881 762 HB2 ALA 95 HB2 ALA 95 5.872 -6.034 -16.426 763 HB3 ALA 95 HB3 ALA 95 6.527 -4.430 -16.092 764 H GLU 96 H GLU 96 8.013 -4.680 -12.998 765 HA GLU 96 HA GLU 96 10.090 -6.175 -14.254 766 HB2 GLU 96 HB2 GLU 96 9.994 -4.367 -11.852 767 HB3 GLU 96 HB3 GLU 96 11.483 -5.135 -12.400 768 HG2 GLU 96 HG2 GLU 96 11.209 -4.037 -14.589 769 HG3 GLU 96 HG3 GLU 96 9.762 -3.237 -13.982 770 H VAL 97 H VAL 97 8.155 -6.635 -11.371 771 HA VAL 97 HA VAL 97 9.506 -9.233 -11.006 772 HB VAL 97 HB VAL 97 8.410 -9.184 -8.659 773 HG11 VAL 97 HG11 VAL 97 10.798 -9.217 -9.066 774 HG12 VAL 97 HG12 VAL 97 10.406 -8.148 -7.719 775 HG13 VAL 97 HG13 VAL 97 10.794 -7.469 -9.300 776 HG21 VAL 97 HG21 VAL 97 8.553 -6.234 -9.260 777 HG22 VAL 97 HG22 VAL 97 8.281 -6.943 -7.667 778 HG23 VAL 97 HG23 VAL 97 7.089 -7.170 -8.949 779 H LEU 98 H LEU 98 6.582 -7.601 -11.673 780 HA LEU 98 HA LEU 98 5.144 -10.172 -11.608 781 HB2 LEU 98 HB2 LEU 98 4.552 -7.950 -10.081 782 HB3 LEU 98 HB3 LEU 98 3.518 -7.718 -11.470 783 HG LEU 98 HG LEU 98 2.365 -8.810 -9.589 784 HD11 LEU 98 HD11 LEU 98 1.549 -9.227 -11.827 785 HD12 LEU 98 HD12 LEU 98 1.364 -10.663 -10.820 786 HD13 LEU 98 HD13 LEU 98 2.668 -10.578 -12.004 787 HD21 LEU 98 HD21 LEU 98 2.890 -11.123 -8.996 788 HD22 LEU 98 HD22 LEU 98 4.224 -10.030 -8.626 789 HD23 LEU 98 HD23 LEU 98 4.304 -11.068 -10.050 790 HA PRO 99 HA PRO 99 5.583 -8.453 -15.919 791 HB2 PRO 99 HB2 PRO 99 5.849 -11.246 -16.741 792 HB3 PRO 99 HB3 PRO 99 6.987 -9.911 -16.945 793 HG2 PRO 99 HG2 PRO 99 7.461 -11.955 -15.252 794 HG3 PRO 99 HG3 PRO 99 8.010 -10.303 -14.915 795 HD2 PRO 99 HD2 PRO 99 5.616 -11.757 -13.857 796 HD3 PRO 99 HD3 PRO 99 6.786 -10.742 -12.988 797 H ASN 100 H ASN 100 3.863 -11.507 -15.199 798 HA ASN 100 HA ASN 100 1.754 -10.728 -17.030 799 HB2 ASN 100 HB2 ASN 100 2.428 -13.101 -16.970 800 HB3 ASN 100 HB3 ASN 100 1.948 -13.194 -15.283 801 HD21 ASN 100 HD21 ASN 100 -0.160 -13.530 -14.777 802 HD22 ASN 100 HD22 ASN 100 -1.418 -13.737 -15.946 803 H TYR 101 H TYR 101 1.422 -8.803 -15.812 804 HA TYR 101 HA TYR 101 -0.611 -9.209 -13.737 805 HB2 TYR 101 HB2 TYR 101 -0.377 -6.868 -13.176 806 HB3 TYR 101 HB3 TYR 101 1.237 -7.555 -13.235 807 HD1 TYR 101 HD1 TYR 101 2.552 -7.199 -15.458 808 HD2 TYR 101 HD2 TYR 101 -0.850 -4.912 -14.341 809 HE1 TYR 101 HE1 TYR 101 3.220 -5.447 -17.031 810 HE2 TYR 101 HE2 TYR 101 -0.189 -3.152 -15.919 811 HH TYR 101 HH TYR 101 2.319 -3.646 -18.249 812 H ASP 102 H ASP 102 -2.471 -7.384 -14.169 813 HA ASP 102 HA ASP 102 -2.959 -7.445 -17.069 814 HB2 ASP 102 HB2 ASP 102 -4.606 -8.715 -15.591 815 HB3 ASP 102 HB3 ASP 102 -5.144 -7.141 -15.018 816 H ARG 103 H ARG 103 -3.170 -5.580 -18.095 817 HA ARG 103 HA ARG 103 -2.383 -3.227 -16.633 818 HB2 ARG 103 HB2 ARG 103 -2.196 -2.172 -18.854 819 HB3 ARG 103 HB3 ARG 103 -1.325 -3.696 -18.761 820 HG2 ARG 103 HG2 ARG 103 -3.430 -4.725 -19.820 821 HG3 ARG 103 HG3 ARG 103 -3.866 -3.062 -20.221 822 HD2 ARG 103 HD2 ARG 103 -2.727 -4.048 -22.093 823 HD3 ARG 103 HD3 ARG 103 -1.679 -2.825 -21.372 824 HE ARG 103 HE ARG 103 -0.852 -5.046 -20.134 825 HH11 ARG 103 HH11 ARG 103 -1.410 -4.455 -23.556 826 HH12 ARG 103 HH12 ARG 103 -0.203 -5.596 -24.064 827 HH21 ARG 103 HH21 ARG 103 0.680 -6.544 -20.797 828 HH22 ARG 103 HH22 ARG 103 0.980 -6.788 -22.493 829 H ASP 104 H ASP 104 -5.360 -4.535 -17.567 830 HA ASP 104 HA ASP 104 -6.733 -1.948 -17.505 831 HB2 ASP 104 HB2 ASP 104 -7.300 -3.489 -19.339 832 HB3 ASP 104 HB3 ASP 104 -7.746 -4.728 -18.177 833 H ARG 105 H ARG 105 -6.305 -4.933 -15.709 834 HA ARG 105 HA ARG 105 -8.372 -4.333 -13.777 835 HB2 ARG 105 HB2 ARG 105 -6.260 -6.491 -13.770 836 HB3 ARG 105 HB3 ARG 105 -7.529 -6.328 -12.569 837 HG2 ARG 105 HG2 ARG 105 -7.942 -6.881 -15.503 838 HG3 ARG 105 HG3 ARG 105 -8.041 -8.060 -14.198 839 HD2 ARG 105 HD2 ARG 105 -10.266 -7.523 -14.611 840 HD3 ARG 105 HD3 ARG 105 -9.855 -6.523 -13.221 841 HE ARG 105 HE ARG 105 -9.581 -5.268 -15.833 842 HH11 ARG 105 HH11 ARG 105 -11.622 -5.744 -13.012 843 HH12 ARG 105 HH12 ARG 105 -12.557 -4.311 -13.324 844 HH21 ARG 105 HH21 ARG 105 -10.770 -3.369 -16.167 845 HH22 ARG 105 HH22 ARG 105 -12.067 -2.965 -15.077 846 H VAL 106 H VAL 106 -4.877 -4.008 -13.961 847 HA VAL 106 HA VAL 106 -4.866 -2.642 -11.379 848 HB VAL 106 HB VAL 106 -2.605 -2.979 -13.392 849 HG11 VAL 106 HG11 VAL 106 -1.140 -2.246 -11.577 850 HG12 VAL 106 HG12 VAL 106 -2.549 -1.979 -10.550 851 HG13 VAL 106 HG13 VAL 106 -2.316 -0.999 -11.998 852 HG21 VAL 106 HG21 VAL 106 -3.130 -4.427 -10.794 853 HG22 VAL 106 HG22 VAL 106 -1.693 -4.611 -11.800 854 HG23 VAL 106 HG23 VAL 106 -3.268 -5.114 -12.414 855 H HIS 107 H HIS 107 -5.926 -0.765 -11.480 856 HA HIS 107 HA HIS 107 -5.106 1.261 -13.391 857 HB2 HIS 107 HB2 HIS 107 -7.370 1.752 -14.192 858 HB3 HIS 107 HB3 HIS 107 -6.949 0.096 -14.582 859 HD1 HIS 107 HD1 HIS 107 -9.597 2.080 -13.187 860 HD2 HIS 107 HD2 HIS 107 -8.242 -1.817 -12.647 861 HE1 HIS 107 HE1 HIS 107 -11.495 0.844 -12.101 862 HE2 HIS 107 HE2 HIS 107 -10.584 -1.443 -11.605 863 H ASN 108 H ASN 108 -6.932 3.218 -12.835 864 HA ASN 108 HA ASN 108 -7.973 4.611 -11.402 865 HB2 ASN 108 HB2 ASN 108 -9.106 2.851 -10.290 866 HB3 ASN 108 HB3 ASN 108 -7.658 2.345 -9.437 867 HD21 ASN 108 HD21 ASN 108 -7.225 3.174 -7.500 868 HD22 ASN 108 HD22 ASN 108 -8.162 4.408 -6.723 869 H GLY 109 H GLY 109 -5.017 3.200 -10.199 870 HA2 GLY 109 HA2 GLY 109 -3.172 4.918 -10.012 871 HA3 GLY 109 HA3 GLY 109 -4.293 5.782 -8.963 872 H ASP 110 H ASP 110 -4.173 2.316 -8.992 873 HA ASP 110 HA ASP 110 -3.761 2.207 -6.180 874 HB2 ASP 110 HB2 ASP 110 -4.193 0.198 -8.350 875 HB3 ASP 110 HB3 ASP 110 -3.669 -0.356 -6.761 876 H ILE 111 H ILE 111 -1.611 1.785 -8.925 877 HA ILE 111 HA ILE 111 0.580 0.830 -7.342 878 HB ILE 111 HB ILE 111 0.834 2.308 -9.975 879 HG12 ILE 111 HG12 ILE 111 -0.674 0.335 -10.195 880 HG13 ILE 111 HG13 ILE 111 0.810 0.183 -11.126 881 HG21 ILE 111 HG21 ILE 111 2.969 1.085 -10.166 882 HG22 ILE 111 HG22 ILE 111 2.686 0.361 -8.583 883 HG23 ILE 111 HG23 ILE 111 2.923 2.103 -8.724 884 HD11 ILE 111 HD11 ILE 111 0.215 -1.913 -10.062 885 HD12 ILE 111 HD12 ILE 111 0.236 -1.135 -8.480 886 HD13 ILE 111 HD13 ILE 111 1.731 -1.293 -9.406 887 H LYS 112 H LYS 112 -0.546 4.008 -8.451 888 HA LYS 112 HA LYS 112 1.820 5.391 -7.654 889 HB2 LYS 112 HB2 LYS 112 -0.902 6.559 -8.232 890 HB3 LYS 112 HB3 LYS 112 0.623 7.432 -8.179 891 HG2 LYS 112 HG2 LYS 112 1.263 5.637 -10.026 892 HG3 LYS 112 HG3 LYS 112 -0.481 5.657 -10.268 893 HD2 LYS 112 HD2 LYS 112 1.312 8.085 -10.329 894 HD3 LYS 112 HD3 LYS 112 0.722 7.231 -11.750 895 HE2 LYS 112 HE2 LYS 112 -0.845 8.854 -11.678 896 HE3 LYS 112 HE3 LYS 112 -1.612 7.731 -10.558 897 HZ1 LYS 112 HZ1 LYS 112 -0.588 8.975 -8.721 898 HZ2 LYS 112 HZ2 LYS 112 -1.623 9.942 -9.645 899 HZ3 LYS 112 HZ3 LYS 112 0.054 10.084 -9.829 900 H LYS 113 H LYS 113 -1.256 4.751 -6.064 901 HA LYS 113 HA LYS 113 -0.783 6.482 -3.834 902 HB2 LYS 113 HB2 LYS 113 -2.700 5.455 -2.811 903 HB3 LYS 113 HB3 LYS 113 -3.056 5.655 -4.519 904 HG2 LYS 113 HG2 LYS 113 -2.535 3.266 -4.880 905 HG3 LYS 113 HG3 LYS 113 -2.247 3.093 -3.150 906 HD2 LYS 113 HD2 LYS 113 -4.625 3.963 -2.829 907 HD3 LYS 113 HD3 LYS 113 -4.834 3.690 -4.561 908 HE2 LYS 113 HE2 LYS 113 -4.136 1.340 -4.220 909 HE3 LYS 113 HE3 LYS 113 -4.088 1.645 -2.483 910 HZ1 LYS 113 HZ1 LYS 113 -6.462 2.290 -2.647 911 HZ2 LYS 113 HZ2 LYS 113 -6.166 0.664 -3.011 912 HZ3 LYS 113 HZ3 LYS 113 -6.457 1.765 -4.260 913 H LEU 114 H LEU 114 0.013 3.189 -4.656 914 HA LEU 114 HA LEU 114 0.963 2.376 -2.115 915 HB2 LEU 114 HB2 LEU 114 0.281 0.664 -3.569 916 HB3 LEU 114 HB3 LEU 114 1.142 1.351 -4.936 917 HG LEU 114 HG LEU 114 2.715 0.129 -2.666 918 HD11 LEU 114 HD11 LEU 114 1.529 -1.359 -5.008 919 HD12 LEU 114 HD12 LEU 114 1.004 -1.518 -3.332 920 HD13 LEU 114 HD13 LEU 114 2.632 -2.015 -3.798 921 HD21 LEU 114 HD21 LEU 114 3.919 1.339 -4.434 922 HD22 LEU 114 HD22 LEU 114 3.167 0.300 -5.644 923 HD23 LEU 114 HD23 LEU 114 4.280 -0.388 -4.462 924 H ILE 115 H ILE 115 2.411 4.050 -4.872 925 HA ILE 115 HA ILE 115 5.108 3.995 -3.897 926 HB ILE 115 HB ILE 115 4.031 6.097 -5.787 927 HG12 ILE 115 HG12 ILE 115 3.415 3.926 -6.713 928 HG13 ILE 115 HG13 ILE 115 4.698 4.660 -7.661 929 HG21 ILE 115 HG21 ILE 115 6.346 6.113 -6.649 930 HG22 ILE 115 HG22 ILE 115 6.792 4.935 -5.412 931 HG23 ILE 115 HG23 ILE 115 6.255 6.547 -4.941 932 HD11 ILE 115 HD11 ILE 115 5.028 2.267 -7.395 933 HD12 ILE 115 HD12 ILE 115 5.037 2.450 -5.641 934 HD13 ILE 115 HD13 ILE 115 6.324 3.171 -6.609 935 H SER 116 H SER 116 2.363 6.104 -3.375 936 HA SER 116 HA SER 116 3.654 8.258 -2.099 937 HB2 SER 116 HB2 SER 116 0.927 7.156 -1.394 938 HB3 SER 116 HB3 SER 116 1.502 8.808 -1.162 939 HG SER 116 HG SER 116 1.376 7.615 -3.725 940 H TRP 117 H TRP 117 2.471 5.153 -0.887 941 HA TRP 117 HA TRP 117 3.332 5.713 1.820 942 HB2 TRP 117 HB2 TRP 117 2.259 3.123 0.701 943 HB3 TRP 117 HB3 TRP 117 2.385 3.576 2.401 944 HD1 TRP 117 HD1 TRP 117 1.116 6.431 2.336 945 HE1 TRP 117 HE1 TRP 117 -1.382 6.757 1.827 946 HE3 TRP 117 HE3 TRP 117 0.169 1.974 -0.033 947 HZ2 TRP 117 HZ2 TRP 117 -3.467 5.337 0.587 948 HZ3 TRP 117 HZ3 TRP 117 -2.108 1.559 -0.833 949 HH2 TRP 117 HH2 TRP 117 -3.884 3.194 -0.531 950 H TYR 118 H TYR 118 4.619 4.279 -0.978 951 HA TYR 118 HA TYR 118 6.386 2.289 -0.161 952 HB2 TYR 118 HB2 TYR 118 5.618 3.290 -2.467 953 HB3 TYR 118 HB3 TYR 118 7.030 4.302 -2.292 954 HD1 TYR 118 HD1 TYR 118 7.410 0.844 -1.153 955 HD2 TYR 118 HD2 TYR 118 7.613 3.485 -4.479 956 HE1 TYR 118 HE1 TYR 118 8.757 -0.803 -2.393 957 HE2 TYR 118 HE2 TYR 118 8.927 1.856 -5.743 958 HH TYR 118 HH TYR 118 9.337 -1.362 -4.697 959 H ASN 119 H ASN 119 6.820 5.794 -0.384 960 HA ASN 119 HA ASN 119 9.490 5.961 0.531 961 HB2 ASN 119 HB2 ASN 119 7.195 7.905 0.480 962 HB3 ASN 119 HB3 ASN 119 8.722 8.330 1.241 963 HD21 ASN 119 HD21 ASN 119 10.490 7.112 -0.491 964 HD22 ASN 119 HD22 ASN 119 10.414 7.913 -2.022 965 H ILE 120 H ILE 120 6.403 6.299 2.219 966 HA ILE 120 HA ILE 120 7.281 6.971 4.788 967 HB ILE 120 HB ILE 120 4.784 5.428 4.026 968 HG12 ILE 120 HG12 ILE 120 5.137 8.425 4.280 969 HG13 ILE 120 HG13 ILE 120 5.142 7.558 2.748 970 HG21 ILE 120 HG21 ILE 120 5.293 7.197 6.421 971 HG22 ILE 120 HG22 ILE 120 5.226 5.436 6.443 972 HG23 ILE 120 HG23 ILE 120 3.781 6.364 6.036 973 HD11 ILE 120 HD11 ILE 120 2.845 6.824 3.170 974 HD12 ILE 120 HD12 ILE 120 2.986 8.583 3.157 975 HD13 ILE 120 HD13 ILE 120 2.848 7.720 4.689 976 H LEU 121 H LEU 121 6.682 3.798 3.367 977 HA LEU 121 HA LEU 121 6.760 2.282 5.747 978 HB2 LEU 121 HB2 LEU 121 7.192 1.458 2.883 979 HB3 LEU 121 HB3 LEU 121 6.921 0.353 4.217 980 HG LEU 121 HG LEU 121 4.914 2.473 3.511 981 HD11 LEU 121 HD11 LEU 121 3.731 0.810 2.198 982 HD12 LEU 121 HD12 LEU 121 5.066 -0.320 2.420 983 HD13 LEU 121 HD13 LEU 121 5.314 1.170 1.509 984 HD21 LEU 121 HD21 LEU 121 3.366 0.953 4.610 985 HD22 LEU 121 HD22 LEU 121 4.688 1.403 5.690 986 HD23 LEU 121 HD23 LEU 121 4.681 -0.182 4.912 987 H VAL 122 H VAL 122 9.214 2.737 3.199 988 HA VAL 122 HA VAL 122 11.234 1.302 4.607 989 HB VAL 122 HB VAL 122 11.657 3.335 2.402 990 HG11 VAL 122 HG11 VAL 122 13.709 2.694 3.578 991 HG12 VAL 122 HG12 VAL 122 13.695 2.064 1.931 992 HG13 VAL 122 HG13 VAL 122 13.348 0.992 3.287 993 HG21 VAL 122 HG21 VAL 122 10.041 1.652 1.691 994 HG22 VAL 122 HG22 VAL 122 11.145 0.367 2.181 995 HG23 VAL 122 HG23 VAL 122 11.575 1.440 0.849 996 H ASN 123 H ASN 123 10.285 4.679 4.474 997 HA ASN 123 HA ASN 123 12.561 5.909 5.559 998 HB2 ASN 123 HB2 ASN 123 10.574 7.017 4.437 999 HB3 ASN 123 HB3 ASN 123 9.714 6.830 5.955 1000 HD21 ASN 123 HD21 ASN 123 13.118 7.649 5.574 1001 HD22 ASN 123 HD22 ASN 123 12.988 9.238 6.246 1002 H ASN 124 H ASN 124 9.648 4.674 7.175 1003 HA ASN 124 HA ASN 124 10.862 5.402 9.742 1004 HB2 ASN 124 HB2 ASN 124 7.990 4.803 9.030 1005 HB3 ASN 124 HB3 ASN 124 8.562 5.138 10.663 1006 HD21 ASN 124 HD21 ASN 124 7.727 6.452 7.605 1007 HD22 ASN 124 HD22 ASN 124 7.920 8.119 8.021 1008 H GLY 125 H GLY 125 10.957 2.814 7.898 1009 HA2 GLY 125 HA2 GLY 125 11.382 0.586 8.216 1010 HA3 GLY 125 HA3 GLY 125 11.756 1.015 9.874 1011 H ILE 126 H ILE 126 8.853 0.690 7.845 1012 HA ILE 126 HA ILE 126 7.206 0.049 10.086 1013 HB ILE 126 HB ILE 126 6.578 -0.209 7.139 1014 HG12 ILE 126 HG12 ILE 126 7.211 2.090 7.672 1015 HG13 ILE 126 HG13 ILE 126 5.484 1.999 7.359 1016 HG21 ILE 126 HG21 ILE 126 4.228 -0.057 7.833 1017 HG22 ILE 126 HG22 ILE 126 4.738 -0.080 9.523 1018 HG23 ILE 126 HG23 ILE 126 5.031 -1.482 8.493 1019 HD11 ILE 126 HD11 ILE 126 6.794 2.195 10.062 1020 HD12 ILE 126 HD12 ILE 126 5.059 2.078 9.766 1021 HD13 ILE 126 HD13 ILE 126 5.956 3.487 9.200 1022 H THR 127 H THR 127 6.838 -1.851 10.981 1023 HA THR 127 HA THR 127 8.103 -4.203 9.773 1024 HB THR 127 HB THR 127 7.999 -5.078 12.166 1025 HG1 THR 127 HG1 THR 127 6.392 -3.346 12.763 1026 HG21 THR 127 HG21 THR 127 9.586 -2.564 11.635 1027 HG22 THR 127 HG22 THR 127 10.078 -4.210 11.229 1028 HG23 THR 127 HG23 THR 127 9.914 -3.727 12.919 1029 H GLU 128 H GLU 128 5.174 -3.085 9.539 1030 HA GLU 128 HA GLU 128 3.680 -5.251 10.812 1031 HB2 GLU 128 HB2 GLU 128 2.944 -2.525 9.825 1032 HB3 GLU 128 HB3 GLU 128 1.702 -3.730 10.068 1033 HG2 GLU 128 HG2 GLU 128 1.767 -2.366 12.002 1034 HG3 GLU 128 HG3 GLU 128 2.455 -3.926 12.440 1035 H PHE 129 H PHE 129 5.026 -5.018 7.874 1036 HA PHE 129 HA PHE 129 2.914 -6.627 6.653 1037 HB2 PHE 129 HB2 PHE 129 2.838 -5.367 4.591 1038 HB3 PHE 129 HB3 PHE 129 2.493 -4.278 5.926 1039 HD1 PHE 129 HD1 PHE 129 4.645 -3.023 6.858 1040 HD2 PHE 129 HD2 PHE 129 4.271 -4.637 2.939 1041 HE1 PHE 129 HE1 PHE 129 6.413 -1.531 6.083 1042 HE2 PHE 129 HE2 PHE 129 6.056 -3.142 2.167 1043 HZ PHE 129 HZ PHE 129 7.135 -1.593 3.733 1044 H VAL 130 H VAL 130 5.990 -6.512 7.517 1045 HA VAL 130 HA VAL 130 6.993 -7.878 5.102 1046 HB VAL 130 HB VAL 130 8.796 -6.460 7.077 1047 HG11 VAL 130 HG11 VAL 130 10.397 -6.473 5.230 1048 HG12 VAL 130 HG12 VAL 130 9.215 -7.301 4.214 1049 HG13 VAL 130 HG13 VAL 130 9.864 -8.104 5.646 1050 HG21 VAL 130 HG21 VAL 130 8.961 -4.572 5.553 1051 HG22 VAL 130 HG22 VAL 130 7.317 -4.758 6.169 1052 HG23 VAL 130 HG23 VAL 130 7.710 -5.281 4.530 1053 H GLU 131 H GLU 131 8.028 -9.819 5.394 1054 HA GLU 131 HA GLU 131 7.673 -11.297 7.782 1055 HB2 GLU 131 HB2 GLU 131 9.074 -13.016 6.647 1056 HB3 GLU 131 HB3 GLU 131 7.745 -12.440 5.654 1057 HG2 GLU 131 HG2 GLU 131 9.321 -10.987 4.435 1058 HG3 GLU 131 HG3 GLU 131 10.641 -11.632 5.409 1059 H ALA 132 H ALA 132 10.525 -9.717 6.378 1060 HA ALA 132 HA ALA 132 11.672 -9.437 9.044 1061 HB1 ALA 132 HB1 ALA 132 12.769 -11.432 8.137 1062 HB2 ALA 132 HB2 ALA 132 13.910 -10.092 8.249 1063 HB3 ALA 132 HB3 ALA 132 13.220 -10.536 6.687 1064 HA PRO 133 HA PRO 133 11.454 -5.603 6.587 1065 HB2 PRO 133 HB2 PRO 133 11.260 -4.225 9.150 1066 HB3 PRO 133 HB3 PRO 133 10.065 -4.350 7.856 1067 HG2 PRO 133 HG2 PRO 133 9.742 -5.588 10.237 1068 HG3 PRO 133 HG3 PRO 133 9.133 -6.276 8.721 1069 HD2 PRO 133 HD2 PRO 133 11.639 -6.944 10.230 1070 HD3 PRO 133 HD3 PRO 133 10.439 -8.037 9.500 1071 H ALA 134 H ALA 134 12.912 -4.895 9.727 1072 HA ALA 134 HA ALA 134 15.578 -4.681 8.697 1073 HB1 ALA 134 HB1 ALA 134 15.875 -2.296 9.205 1074 HB2 ALA 134 HB2 ALA 134 14.155 -2.150 9.564 1075 HB3 ALA 134 HB3 ALA 134 14.686 -2.524 7.924 1076 H LEU 135 H LEU 135 17.018 -4.893 10.360 1077 HA LEU 135 HA LEU 135 15.932 -5.073 13.046 1078 HB2 LEU 135 HB2 LEU 135 18.052 -5.952 13.756 1079 HB3 LEU 135 HB3 LEU 135 17.539 -6.795 12.314 1080 HG LEU 135 HG LEU 135 19.556 -4.560 12.143 1081 HD11 LEU 135 HD11 LEU 135 21.314 -6.244 12.383 1082 HD12 LEU 135 HD12 LEU 135 20.095 -7.472 12.727 1083 HD13 LEU 135 HD13 LEU 135 20.339 -6.134 13.849 1084 HD21 LEU 135 HD21 LEU 135 18.599 -5.415 10.046 1085 HD22 LEU 135 HD22 LEU 135 19.079 -7.052 10.497 1086 HD23 LEU 135 HD23 LEU 135 20.308 -5.826 10.187 1087 H GLU 136 H GLU 136 17.408 -4.050 14.804 1088 HA GLU 136 HA GLU 136 18.199 -2.220 15.903 1089 HB2 GLU 136 HB2 GLU 136 19.746 -2.009 13.865 1090 HB3 GLU 136 HB3 GLU 136 18.630 -0.796 13.269 1091 HG2 GLU 136 HG2 GLU 136 20.542 0.243 14.309 1092 HG3 GLU 136 HG3 GLU 136 19.084 0.572 15.242 1093 H HIS 137 H HIS 137 15.376 -2.500 14.531 1094 HA HIS 137 HA HIS 137 14.511 0.270 15.053 1095 HB2 HIS 137 HB2 HIS 137 14.030 -0.705 12.776 1096 HB3 HIS 137 HB3 HIS 137 12.984 -1.882 13.561 1097 HD1 HIS 137 HD1 HIS 137 10.644 -1.176 14.121 1098 HD2 HIS 137 HD2 HIS 137 13.027 1.995 12.889 1099 HE1 HIS 137 HE1 HIS 137 9.091 0.790 13.917 1100 HE2 HIS 137 HE2 HIS 137 10.510 2.593 12.903 1101 H HIS 138 H HIS 138 14.582 -2.748 16.535 1102 HA HIS 138 HA HIS 138 11.922 -2.926 17.507 1103 HB2 HIS 138 HB2 HIS 138 12.643 -4.793 18.849 1104 HB3 HIS 138 HB3 HIS 138 13.364 -4.911 17.257 1105 HD1 HIS 138 HD1 HIS 138 15.877 -5.089 17.132 1106 HD2 HIS 138 HD2 HIS 138 14.515 -4.190 20.956 1107 HE1 HIS 138 HE1 HIS 138 17.876 -5.333 18.638 1108 HE2 HIS 138 HE2 HIS 138 17.008 -4.891 20.958 1109 H HIS 139 H HIS 139 14.466 -0.945 18.549 1110 HA HIS 139 HA HIS 139 13.325 -0.709 21.228 1111 HB2 HIS 139 HB2 HIS 139 15.293 0.623 21.833 1112 HB3 HIS 139 HB3 HIS 139 15.724 -0.961 21.228 1113 HD1 HIS 139 HD1 HIS 139 17.936 0.958 21.346 1114 HD2 HIS 139 HD2 HIS 139 15.447 0.770 18.018 1115 HE1 HIS 139 HE1 HIS 139 19.269 1.916 19.444 1116 HE2 HIS 139 HE2 HIS 139 17.813 1.628 17.419 1117 H HIS 140 H HIS 140 12.184 0.311 18.641 1118 HA HIS 140 HA HIS 140 10.510 1.741 18.211 1119 HB2 HIS 140 HB2 HIS 140 11.144 3.191 20.791 1120 HB3 HIS 140 HB3 HIS 140 9.717 3.428 19.795 1121 HD1 HIS 140 HD1 HIS 140 10.783 1.765 22.729 1122 HD2 HIS 140 HD2 HIS 140 8.191 0.799 19.624 1123 HE1 HIS 140 HE1 HIS 140 9.310 -0.061 23.630 1124 HE2 HIS 140 HE2 HIS 140 7.647 -0.514 21.795 1125 H HIS 141 H HIS 141 13.090 3.717 19.680 1126 HA HIS 141 HA HIS 141 12.525 5.981 18.067 1127 HB2 HIS 141 HB2 HIS 141 13.583 5.906 20.398 1128 HB3 HIS 141 HB3 HIS 141 15.087 5.493 19.586 1129 HD1 HIS 141 HD1 HIS 141 16.281 7.374 18.264 1130 HD2 HIS 141 HD2 HIS 141 12.754 8.554 20.130 1131 HE1 HIS 141 HE1 HIS 141 16.289 9.888 18.198 1132 HE2 HIS 141 HE2 HIS 141 14.191 10.587 19.409 1133 H HIS 142 H HIS 142 12.875 6.051 16.007 1134 HA HIS 142 HA HIS 142 15.538 5.895 14.953 1135 HB2 HIS 142 HB2 HIS 142 14.552 3.489 14.809 1136 HB3 HIS 142 HB3 HIS 142 13.508 4.144 13.554 1137 HD1 HIS 142 HD1 HIS 142 16.949 2.948 14.188 1138 HD2 HIS 142 HD2 HIS 142 14.894 4.957 11.180 1139 HE1 HIS 142 HE1 HIS 142 18.419 2.806 12.153 1140 HE2 HIS 142 HE2 HIS 142 17.241 4.183 10.405 Start of MODEL 3 1 H1 MET 1 H1 MET 1 1.511 -8.272 9.048 2 H2 MET 1 H2 MET 1 -0.123 -7.923 8.798 3 H3 MET 1 H3 MET 1 0.964 -6.668 9.130 4 HA MET 1 HA MET 1 2.136 -7.134 7.067 5 HB2 MET 1 HB2 MET 1 -0.082 -9.147 6.784 6 HB3 MET 1 HB3 MET 1 0.763 -8.504 5.384 7 HG2 MET 1 HG2 MET 1 2.871 -9.369 6.247 8 HG3 MET 1 HG3 MET 1 2.033 -9.994 7.669 9 HE1 MET 1 HE1 MET 1 2.311 -10.271 3.715 10 HE2 MET 1 HE2 MET 1 0.601 -9.949 4.013 11 HE3 MET 1 HE3 MET 1 1.110 -11.524 3.399 12 H LEU 2 H LEU 2 -1.429 -7.065 7.449 13 HA LEU 2 HA LEU 2 -1.454 -4.722 5.718 14 HB2 LEU 2 HB2 LEU 2 -3.604 -5.913 4.667 15 HB3 LEU 2 HB3 LEU 2 -2.005 -5.990 3.975 16 HG LEU 2 HG LEU 2 -1.694 -8.252 4.858 17 HD11 LEU 2 HD11 LEU 2 -3.064 -8.144 6.894 18 HD12 LEU 2 HD12 LEU 2 -3.502 -9.511 5.870 19 HD13 LEU 2 HD13 LEU 2 -4.518 -8.070 5.895 20 HD21 LEU 2 HD21 LEU 2 -4.295 -7.866 3.403 21 HD22 LEU 2 HD22 LEU 2 -3.373 -9.367 3.478 22 HD23 LEU 2 HD23 LEU 2 -2.690 -7.950 2.677 23 H LYS 3 H LYS 3 -3.135 -6.595 8.154 24 HA LYS 3 HA LYS 3 -5.458 -4.849 8.118 25 HB2 LYS 3 HB2 LYS 3 -4.766 -7.242 9.822 26 HB3 LYS 3 HB3 LYS 3 -6.272 -6.346 9.953 27 HG2 LYS 3 HG2 LYS 3 -6.916 -6.974 7.746 28 HG3 LYS 3 HG3 LYS 3 -5.335 -7.685 7.434 29 HD2 LYS 3 HD2 LYS 3 -6.767 -9.496 7.868 30 HD3 LYS 3 HD3 LYS 3 -5.830 -9.272 9.345 31 HE2 LYS 3 HE2 LYS 3 -7.673 -8.136 10.399 32 HE3 LYS 3 HE3 LYS 3 -8.599 -8.171 8.897 33 HZ1 LYS 3 HZ1 LYS 3 -9.346 -9.914 10.338 34 HZ2 LYS 3 HZ2 LYS 3 -7.777 -10.516 10.518 35 HZ3 LYS 3 HZ3 LYS 3 -8.551 -10.611 9.014 36 H THR 4 H THR 4 -2.466 -4.857 9.584 37 HA THR 4 HA THR 4 -3.348 -3.522 12.029 38 HB THR 4 HB THR 4 -0.488 -4.053 11.199 39 HG1 THR 4 HG1 THR 4 -0.699 -6.077 11.898 40 HG21 THR 4 HG21 THR 4 -0.081 -4.018 13.626 41 HG22 THR 4 HG22 THR 4 -1.789 -3.675 13.905 42 HG23 THR 4 HG23 THR 4 -0.778 -2.496 13.069 43 H ILE 5 H ILE 5 -1.750 -2.865 8.977 44 HA ILE 5 HA ILE 5 -1.481 -0.066 9.709 45 HB ILE 5 HB ILE 5 -0.147 -1.820 7.784 46 HG12 ILE 5 HG12 ILE 5 0.941 -0.879 9.761 47 HG13 ILE 5 HG13 ILE 5 1.753 -0.369 8.290 48 HG21 ILE 5 HG21 ILE 5 -0.681 1.014 6.920 49 HG22 ILE 5 HG22 ILE 5 -1.206 -0.459 6.101 50 HG23 ILE 5 HG23 ILE 5 0.512 -0.070 6.199 51 HD11 ILE 5 HD11 ILE 5 0.687 1.819 8.455 52 HD12 ILE 5 HD12 ILE 5 1.615 1.438 9.908 53 HD13 ILE 5 HD13 ILE 5 -0.144 1.303 9.922 54 H LEU 6 H LEU 6 -2.739 1.452 9.069 55 HA LEU 6 HA LEU 6 -4.785 0.926 7.052 56 HB2 LEU 6 HB2 LEU 6 -4.554 3.240 8.976 57 HB3 LEU 6 HB3 LEU 6 -5.876 2.956 7.865 58 HG LEU 6 HG LEU 6 -5.188 1.366 10.335 59 HD11 LEU 6 HD11 LEU 6 -7.602 2.977 9.540 60 HD12 LEU 6 HD12 LEU 6 -6.357 3.471 10.688 61 HD13 LEU 6 HD13 LEU 6 -7.394 2.090 11.050 62 HD21 LEU 6 HD21 LEU 6 -7.131 -0.023 9.836 63 HD22 LEU 6 HD22 LEU 6 -5.906 -0.177 8.575 64 HD23 LEU 6 HD23 LEU 6 -7.341 0.810 8.293 65 H SER 7 H SER 7 -4.789 1.974 5.223 66 HA SER 7 HA SER 7 -2.548 3.750 4.600 67 HB2 SER 7 HB2 SER 7 -3.203 3.106 2.240 68 HB3 SER 7 HB3 SER 7 -2.657 1.765 3.250 69 HG SER 7 HG SER 7 -5.388 2.416 3.099 70 H ILE 8 H ILE 8 -2.941 5.833 4.046 71 HA ILE 8 HA ILE 8 -5.750 6.717 4.247 72 HB ILE 8 HB ILE 8 -3.285 8.237 5.154 73 HG12 ILE 8 HG12 ILE 8 -3.687 6.292 6.590 74 HG13 ILE 8 HG13 ILE 8 -4.004 7.790 7.450 75 HG21 ILE 8 HG21 ILE 8 -6.208 8.878 5.570 76 HG22 ILE 8 HG22 ILE 8 -5.097 9.730 4.495 77 HG23 ILE 8 HG23 ILE 8 -4.848 9.780 6.243 78 HD11 ILE 8 HD11 ILE 8 -6.079 5.934 6.303 79 HD12 ILE 8 HD12 ILE 8 -6.409 7.437 7.164 80 HD13 ILE 8 HD13 ILE 8 -5.641 6.089 8.004 81 H ALA 9 H ALA 9 -6.525 7.962 2.667 82 HA ALA 9 HA ALA 9 -4.670 8.811 0.555 83 HB1 ALA 9 HB1 ALA 9 -7.646 8.365 0.398 84 HB2 ALA 9 HB2 ALA 9 -6.405 7.239 -0.152 85 HB3 ALA 9 HB3 ALA 9 -6.588 8.804 -0.945 86 H GLY 10 H GLY 10 -4.015 10.760 1.406 87 HA2 GLY 10 HA2 GLY 10 -5.517 13.023 0.768 88 HA3 GLY 10 HA3 GLY 10 -5.712 12.730 2.490 89 H LYS 11 H LYS 11 -4.471 14.090 3.559 90 HA LYS 11 HA LYS 11 -1.939 14.949 2.478 91 HB2 LYS 11 HB2 LYS 11 -3.445 16.577 3.543 92 HB3 LYS 11 HB3 LYS 11 -3.260 15.744 5.078 93 HG2 LYS 11 HG2 LYS 11 -0.950 16.323 5.196 94 HG3 LYS 11 HG3 LYS 11 -0.976 16.971 3.557 95 HD2 LYS 11 HD2 LYS 11 -2.575 18.699 4.301 96 HD3 LYS 11 HD3 LYS 11 -2.447 18.075 5.949 97 HE2 LYS 11 HE2 LYS 11 -1.002 20.032 5.596 98 HE3 LYS 11 HE3 LYS 11 -0.071 18.586 5.985 99 HZ1 LYS 11 HZ1 LYS 11 -0.466 19.719 3.264 100 HZ2 LYS 11 HZ2 LYS 11 0.410 18.315 3.623 101 HZ3 LYS 11 HZ3 LYS 11 0.955 19.815 4.185 102 HA PRO 12 HA PRO 12 -0.109 12.394 6.082 103 HB2 PRO 12 HB2 PRO 12 -1.637 10.680 7.500 104 HB3 PRO 12 HB3 PRO 12 -1.386 12.361 7.980 105 HG2 PRO 12 HG2 PRO 12 -3.718 11.109 6.598 106 HG3 PRO 12 HG3 PRO 12 -3.694 12.333 7.882 107 HD2 PRO 12 HD2 PRO 12 -4.072 12.904 5.239 108 HD3 PRO 12 HD3 PRO 12 -3.379 14.043 6.408 109 H GLY 13 H GLY 13 -0.642 9.514 6.664 110 HA2 GLY 13 HA2 GLY 13 -0.369 8.536 3.926 111 HA3 GLY 13 HA3 GLY 13 1.071 8.510 4.924 112 H LEU 14 H LEU 14 0.879 7.256 7.004 113 HA LEU 14 HA LEU 14 -0.945 4.984 6.717 114 HB2 LEU 14 HB2 LEU 14 2.054 4.769 6.982 115 HB3 LEU 14 HB3 LEU 14 0.945 3.421 7.145 116 HG LEU 14 HG LEU 14 0.770 4.983 4.631 117 HD11 LEU 14 HD11 LEU 14 3.167 4.831 4.971 118 HD12 LEU 14 HD12 LEU 14 2.645 3.777 3.657 119 HD13 LEU 14 HD13 LEU 14 3.028 3.095 5.237 120 HD21 LEU 14 HD21 LEU 14 0.407 2.774 3.684 121 HD22 LEU 14 HD22 LEU 14 -0.680 3.068 5.042 122 HD23 LEU 14 HD23 LEU 14 0.737 2.039 5.253 123 H TYR 15 H TYR 15 -1.666 4.142 8.546 124 HA TYR 15 HA TYR 15 -0.598 5.115 11.107 125 HB2 TYR 15 HB2 TYR 15 -3.413 5.303 10.074 126 HB3 TYR 15 HB3 TYR 15 -3.062 5.327 11.795 127 HD1 TYR 15 HD2 TYR 15 -2.732 7.171 8.637 128 HD2 TYR 15 HD1 TYR 15 -2.138 7.262 12.835 129 HE1 TYR 15 HE2 TYR 15 -2.435 9.603 8.534 130 HE2 TYR 15 HE1 TYR 15 -1.850 9.692 12.752 131 HH TYR 15 HH TYR 15 -1.186 11.412 11.121 132 H LYS 16 H LYS 16 -0.515 3.577 12.646 133 HA LYS 16 HA LYS 16 -1.370 0.887 12.141 134 HB2 LYS 16 HB2 LYS 16 -0.283 2.226 14.619 135 HB3 LYS 16 HB3 LYS 16 -0.589 0.504 14.486 136 HG2 LYS 16 HG2 LYS 16 1.160 0.202 12.962 137 HG3 LYS 16 HG3 LYS 16 1.276 1.931 12.623 138 HD2 LYS 16 HD2 LYS 16 3.120 1.205 14.051 139 HD3 LYS 16 HD3 LYS 16 2.067 2.329 14.907 140 HE2 LYS 16 HE2 LYS 16 0.945 0.371 15.961 141 HE3 LYS 16 HE3 LYS 16 2.142 -0.670 15.195 142 HZ1 LYS 16 HZ1 LYS 16 3.871 0.370 16.438 143 HZ2 LYS 16 HZ2 LYS 16 2.653 -0.089 17.524 144 HZ3 LYS 16 HZ3 LYS 16 2.810 1.535 17.062 145 H LEU 17 H LEU 17 -3.454 0.247 12.372 146 HA LEU 17 HA LEU 17 -5.247 1.689 14.122 147 HB2 LEU 17 HB2 LEU 17 -6.035 0.720 11.967 148 HB3 LEU 17 HB3 LEU 17 -5.789 -0.881 12.641 149 HG LEU 17 HG LEU 17 -7.451 -0.379 14.408 150 HD11 LEU 17 HD11 LEU 17 -7.864 2.175 12.865 151 HD12 LEU 17 HD12 LEU 17 -7.206 2.035 14.498 152 HD13 LEU 17 HD13 LEU 17 -8.885 1.591 14.182 153 HD21 LEU 17 HD21 LEU 17 -8.172 -1.508 12.388 154 HD22 LEU 17 HD22 LEU 17 -8.450 0.052 11.608 155 HD23 LEU 17 HD23 LEU 17 -9.427 -0.425 12.995 156 H ILE 18 H ILE 18 -5.201 1.414 16.135 157 HA ILE 18 HA ILE 18 -4.268 -1.081 17.328 158 HB ILE 18 HB ILE 18 -4.850 1.572 18.685 159 HG12 ILE 18 HG12 ILE 18 -2.128 0.546 17.840 160 HG13 ILE 18 HG13 ILE 18 -3.078 1.636 16.840 161 HG21 ILE 18 HG21 ILE 18 -3.203 -0.804 19.574 162 HG22 ILE 18 HG22 ILE 18 -4.799 -0.367 20.186 163 HG23 ILE 18 HG23 ILE 18 -3.423 0.698 20.473 164 HD11 ILE 18 HD11 ILE 18 -3.021 3.308 18.621 165 HD12 ILE 18 HD12 ILE 18 -1.402 2.845 18.094 166 HD13 ILE 18 HD13 ILE 18 -2.051 2.214 19.608 167 H SER 19 H SER 19 -6.995 1.183 17.373 168 HA SER 19 HA SER 19 -8.767 -0.905 18.367 169 HB2 SER 19 HB2 SER 19 -8.492 1.758 19.787 170 HB3 SER 19 HB3 SER 19 -9.644 0.487 20.186 171 HG SER 19 HG SER 19 -7.230 0.800 21.139 172 H GLN 20 H GLN 20 -10.976 -0.487 17.960 173 HA GLN 20 HA GLN 20 -11.563 2.017 16.521 174 HB2 GLN 20 HB2 GLN 20 -12.875 -0.690 16.180 175 HB3 GLN 20 HB3 GLN 20 -13.510 0.799 15.498 176 HG2 GLN 20 HG2 GLN 20 -11.158 0.982 14.403 177 HG3 GLN 20 HG3 GLN 20 -11.079 -0.748 14.730 178 HE21 GLN 20 HE21 GLN 20 -11.113 -1.325 12.576 179 HE22 GLN 20 HE22 GLN 20 -12.520 -1.160 11.578 180 H GLY 21 H GLY 21 -12.664 3.369 17.756 181 HA2 GLY 21 HA2 GLY 21 -14.172 2.261 20.026 182 HA3 GLY 21 HA3 GLY 21 -13.525 3.887 19.934 183 H LYS 22 H LYS 22 -15.853 4.139 20.749 184 HA LYS 22 HA LYS 22 -17.818 4.131 18.582 185 HB2 LYS 22 HB2 LYS 22 -19.441 4.592 20.457 186 HB3 LYS 22 HB3 LYS 22 -18.591 3.061 20.577 187 HG2 LYS 22 HG2 LYS 22 -17.001 4.201 22.174 188 HG3 LYS 22 HG3 LYS 22 -18.112 5.568 22.171 189 HD2 LYS 22 HD2 LYS 22 -18.796 4.375 24.035 190 HD3 LYS 22 HD3 LYS 22 -19.902 3.798 22.787 191 HE2 LYS 22 HE2 LYS 22 -18.489 1.828 22.447 192 HE3 LYS 22 HE3 LYS 22 -17.379 2.406 23.688 193 HZ1 LYS 22 HZ1 LYS 22 -19.241 2.279 25.285 194 HZ2 LYS 22 HZ2 LYS 22 -18.819 0.774 24.635 195 HZ3 LYS 22 HZ3 LYS 22 -20.204 1.576 24.077 196 H ASN 23 H ASN 23 -15.996 5.902 18.054 197 HA ASN 23 HA ASN 23 -17.246 8.389 17.717 198 HB2 ASN 23 HB2 ASN 23 -16.609 8.496 20.234 199 HB3 ASN 23 HB3 ASN 23 -14.946 8.557 19.687 200 HD21 ASN 23 HD21 ASN 23 -16.464 10.470 21.216 201 HD22 ASN 23 HD22 ASN 23 -16.424 11.959 20.334 202 H MET 24 H MET 24 -14.046 7.040 18.424 203 HA MET 24 HA MET 24 -13.006 8.147 15.915 204 HB2 MET 24 HB2 MET 24 -10.900 8.688 17.327 205 HB3 MET 24 HB3 MET 24 -12.281 9.768 17.437 206 HG2 MET 24 HG2 MET 24 -12.969 8.544 19.509 207 HG3 MET 24 HG3 MET 24 -11.445 7.666 19.425 208 HE1 MET 24 HE1 MET 24 -9.238 8.514 20.366 209 HE2 MET 24 HE2 MET 24 -8.782 10.219 20.371 210 HE3 MET 24 HE3 MET 24 -9.155 9.410 18.848 211 H LEU 25 H LEU 25 -11.363 7.020 14.943 212 HA LEU 25 HA LEU 25 -10.783 4.364 15.987 213 HB2 LEU 25 HB2 LEU 25 -9.766 5.657 13.442 214 HB3 LEU 25 HB3 LEU 25 -9.472 4.000 13.923 215 HG LEU 25 HG LEU 25 -11.123 3.596 12.449 216 HD11 LEU 25 HD11 LEU 25 -12.093 2.870 14.526 217 HD12 LEU 25 HD12 LEU 25 -13.345 3.454 13.425 218 HD13 LEU 25 HD13 LEU 25 -12.805 4.468 14.766 219 HD21 LEU 25 HD21 LEU 25 -11.290 5.861 11.645 220 HD22 LEU 25 HD22 LEU 25 -12.322 6.286 13.012 221 HD23 LEU 25 HD23 LEU 25 -12.892 5.136 11.802 222 H ILE 26 H ILE 26 -8.886 3.756 16.790 223 HA ILE 26 HA ILE 26 -7.134 5.942 17.645 224 HB ILE 26 HB ILE 26 -7.191 3.055 18.587 225 HG12 ILE 26 HG12 ILE 26 -9.268 4.169 19.188 226 HG13 ILE 26 HG13 ILE 26 -8.283 3.941 20.627 227 HG21 ILE 26 HG21 ILE 26 -5.010 4.069 18.940 228 HG22 ILE 26 HG22 ILE 26 -5.837 3.834 20.481 229 HG23 ILE 26 HG23 ILE 26 -5.760 5.441 19.757 230 HD11 ILE 26 HD11 ILE 26 -9.351 6.115 20.637 231 HD12 ILE 26 HD12 ILE 26 -8.609 6.506 19.086 232 HD13 ILE 26 HD13 ILE 26 -7.600 6.291 20.516 233 H VAL 27 H VAL 27 -5.562 6.357 16.253 234 HA VAL 27 HA VAL 27 -4.140 4.095 15.050 235 HB VAL 27 HB VAL 27 -3.798 5.512 12.989 236 HG11 VAL 27 HG11 VAL 27 -5.313 3.625 13.006 237 HG12 VAL 27 HG12 VAL 27 -5.961 4.931 12.014 238 HG13 VAL 27 HG13 VAL 27 -6.608 4.647 13.631 239 HG21 VAL 27 HG21 VAL 27 -4.453 7.685 13.863 240 HG22 VAL 27 HG22 VAL 27 -6.093 7.098 14.141 241 HG23 VAL 27 HG23 VAL 27 -5.472 7.233 12.496 242 H GLU 28 H GLU 28 -1.966 4.285 14.801 243 HA GLU 28 HA GLU 28 -0.727 6.686 15.973 244 HB2 GLU 28 HB2 GLU 28 -0.516 4.643 17.366 245 HB3 GLU 28 HB3 GLU 28 0.284 3.830 16.031 246 HG2 GLU 28 HG2 GLU 28 2.112 5.481 16.162 247 HG3 GLU 28 HG3 GLU 28 1.315 6.224 17.547 248 H THR 29 H THR 29 0.632 7.773 14.685 249 HA THR 29 HA THR 29 1.079 6.864 11.984 250 HB THR 29 HB THR 29 2.705 9.140 12.887 251 HG1 THR 29 HG1 THR 29 0.823 9.448 14.207 252 HG21 THR 29 HG21 THR 29 0.632 8.830 10.712 253 HG22 THR 29 HG22 THR 29 2.366 8.562 10.531 254 HG23 THR 29 HG23 THR 29 1.754 10.179 10.886 255 H VAL 30 H VAL 30 3.021 6.083 11.160 256 HA VAL 30 HA VAL 30 5.177 5.756 13.133 257 HB VAL 30 HB VAL 30 5.172 4.279 10.517 258 HG11 VAL 30 HG11 VAL 30 7.232 4.301 11.785 259 HG12 VAL 30 HG12 VAL 30 6.542 2.679 11.782 260 HG13 VAL 30 HG13 VAL 30 6.391 3.696 13.215 261 HG21 VAL 30 HG21 VAL 30 4.131 2.343 11.602 262 HG22 VAL 30 HG22 VAL 30 3.029 3.716 11.504 263 HG23 VAL 30 HG23 VAL 30 3.813 3.322 13.035 264 H ASP 31 H ASP 31 5.924 7.802 12.911 265 HA ASP 31 HA ASP 31 7.465 8.324 10.501 266 HB2 ASP 31 HB2 ASP 31 6.624 10.559 10.213 267 HB3 ASP 31 HB3 ASP 31 5.243 9.474 10.250 268 H ALA 32 H ALA 32 8.378 10.878 11.252 269 HA ALA 32 HA ALA 32 10.382 10.217 13.124 270 HB1 ALA 32 HB1 ALA 32 11.103 12.532 12.898 271 HB2 ALA 32 HB2 ALA 32 9.585 12.935 12.100 272 HB3 ALA 32 HB3 ALA 32 10.721 11.835 11.321 273 H ALA 33 H ALA 33 7.425 12.188 13.427 274 HA ALA 33 HA ALA 33 7.854 12.744 16.215 275 HB1 ALA 33 HB1 ALA 33 6.568 14.266 14.802 276 HB2 ALA 33 HB2 ALA 33 5.602 13.693 16.161 277 HB3 ALA 33 HB3 ALA 33 5.349 13.016 14.552 278 H LYS 34 H LYS 34 6.052 10.409 14.329 279 HA LYS 34 HA LYS 34 4.564 8.808 14.768 280 HB2 LYS 34 HB2 LYS 34 5.423 6.962 16.274 281 HB3 LYS 34 HB3 LYS 34 6.412 7.416 14.902 282 HG2 LYS 34 HG2 LYS 34 7.929 8.621 16.370 283 HG3 LYS 34 HG3 LYS 34 6.907 8.246 17.757 284 HD2 LYS 34 HD2 LYS 34 8.770 6.720 17.724 285 HD3 LYS 34 HD3 LYS 34 7.293 5.838 17.338 286 HE2 LYS 34 HE2 LYS 34 7.859 5.914 14.963 287 HE3 LYS 34 HE3 LYS 34 9.324 6.825 15.334 288 HZ1 LYS 34 HZ1 LYS 34 8.737 4.093 16.341 289 HZ2 LYS 34 HZ2 LYS 34 10.177 4.963 16.549 290 HZ3 LYS 34 HZ3 LYS 34 9.723 4.436 15.007 291 H LYS 35 H LYS 35 3.033 10.316 15.527 292 HA LYS 35 HA LYS 35 2.468 10.183 18.397 293 HB2 LYS 35 HB2 LYS 35 0.970 12.122 17.976 294 HB3 LYS 35 HB3 LYS 35 2.642 12.437 17.557 295 HG2 LYS 35 HG2 LYS 35 2.156 12.159 15.204 296 HG3 LYS 35 HG3 LYS 35 0.491 11.719 15.581 297 HD2 LYS 35 HD2 LYS 35 1.747 14.385 16.239 298 HD3 LYS 35 HD3 LYS 35 0.758 14.070 14.811 299 HE2 LYS 35 HE2 LYS 35 -1.124 13.458 16.267 300 HE3 LYS 35 HE3 LYS 35 -0.134 13.793 17.683 301 HZ1 LYS 35 HZ1 LYS 35 -0.886 15.796 15.620 302 HZ2 LYS 35 HZ2 LYS 35 -0.008 16.103 17.038 303 HZ3 LYS 35 HZ3 LYS 35 -1.628 15.623 17.132 304 H ARG 36 H ARG 36 0.306 9.808 19.151 305 HA ARG 36 HA ARG 36 -1.270 8.107 17.373 306 HB2 ARG 36 HB2 ARG 36 -1.591 8.661 20.329 307 HB3 ARG 36 HB3 ARG 36 -2.575 7.540 19.395 308 HG2 ARG 36 HG2 ARG 36 -0.645 6.152 18.964 309 HG3 ARG 36 HG3 ARG 36 0.402 7.309 19.788 310 HD2 ARG 36 HD2 ARG 36 -0.820 6.912 21.877 311 HD3 ARG 36 HD3 ARG 36 -1.849 5.745 21.047 312 HE ARG 36 HE ARG 36 0.705 4.856 20.608 313 HH11 ARG 36 HH11 ARG 36 -1.154 5.589 23.516 314 HH12 ARG 36 HH12 ARG 36 -0.355 4.378 24.471 315 HH21 ARG 36 HH21 ARG 36 1.730 3.269 21.879 316 HH22 ARG 36 HH22 ARG 36 1.270 3.062 23.544 317 H VAL 37 H VAL 37 -2.965 8.820 16.347 318 HA VAL 37 HA VAL 37 -3.987 11.521 16.957 319 HB VAL 37 HB VAL 37 -3.886 10.287 14.189 320 HG11 VAL 37 HG11 VAL 37 -5.385 12.194 14.481 321 HG12 VAL 37 HG12 VAL 37 -4.043 12.569 13.398 322 HG13 VAL 37 HG13 VAL 37 -4.025 13.163 15.058 323 HG21 VAL 37 HG21 VAL 37 -1.586 10.372 14.985 324 HG22 VAL 37 HG22 VAL 37 -1.780 12.078 15.388 325 HG23 VAL 37 HG23 VAL 37 -1.862 11.554 13.705 326 HA PRO 38 HA PRO 38 -8.080 9.482 16.737 327 HB2 PRO 38 HB2 PRO 38 -9.556 11.765 16.520 328 HB3 PRO 38 HB3 PRO 38 -9.006 11.092 18.050 329 HG2 PRO 38 HG2 PRO 38 -7.893 13.354 16.471 330 HG3 PRO 38 HG3 PRO 38 -8.038 13.171 18.227 331 HD2 PRO 38 HD2 PRO 38 -5.701 12.809 16.889 332 HD3 PRO 38 HD3 PRO 38 -6.104 11.953 18.391 333 H ALA 39 H ALA 39 -8.701 8.555 14.904 334 HA ALA 39 HA ALA 39 -8.855 10.124 12.415 335 HB1 ALA 39 HB1 ALA 39 -7.463 8.111 12.306 336 HB2 ALA 39 HB2 ALA 39 -8.871 7.980 11.251 337 HB3 ALA 39 HB3 ALA 39 -8.847 7.135 12.798 338 H TYR 40 H TYR 40 -10.832 10.765 11.763 339 HA TYR 40 HA TYR 40 -13.006 9.034 11.527 340 HB2 TYR 40 HB2 TYR 40 -14.666 10.148 13.025 341 HB3 TYR 40 HB3 TYR 40 -13.440 9.241 13.891 342 HD1 TYR 40 HD1 TYR 40 -11.761 10.422 15.240 343 HD2 TYR 40 HD2 TYR 40 -14.879 12.544 13.280 344 HE1 TYR 40 HE1 TYR 40 -11.339 12.362 16.686 345 HE2 TYR 40 HE2 TYR 40 -14.458 14.490 14.708 346 HH TYR 40 HH TYR 40 -11.693 14.817 16.612 347 H ALA 41 H ALA 41 -15.053 10.220 10.923 348 HA ALA 41 HA ALA 41 -16.329 11.699 9.880 349 HB1 ALA 41 HB1 ALA 41 -14.336 13.824 10.656 350 HB2 ALA 41 HB2 ALA 41 -15.631 13.218 11.687 351 HB3 ALA 41 HB3 ALA 41 -16.021 14.063 10.189 352 H HIS 42 H HIS 42 -13.652 13.758 8.873 353 HA HIS 42 HA HIS 42 -14.574 13.155 6.143 354 HB2 HIS 42 HB2 HIS 42 -13.655 15.758 7.366 355 HB3 HIS 42 HB3 HIS 42 -13.879 15.542 5.636 356 HD1 HIS 42 HD1 HIS 42 -16.242 15.647 4.736 357 HD2 HIS 42 HD2 HIS 42 -16.084 15.691 8.888 358 HE1 HIS 42 HE1 HIS 42 -18.578 16.190 5.496 359 HE2 HIS 42 HE2 HIS 42 -18.502 15.966 8.002 360 H ASP 43 H ASP 43 -12.435 11.743 7.391 361 HA ASP 43 HA ASP 43 -10.289 12.437 5.489 362 HB2 ASP 43 HB2 ASP 43 -9.557 12.787 7.838 363 HB3 ASP 43 HB3 ASP 43 -9.966 11.117 8.202 364 H LYS 44 H LYS 44 -9.448 10.710 4.286 365 HA LYS 44 HA LYS 44 -11.213 8.437 4.079 366 HB2 LYS 44 HB2 LYS 44 -8.858 9.322 2.425 367 HB3 LYS 44 HB3 LYS 44 -9.703 7.807 2.141 368 HG2 LYS 44 HG2 LYS 44 -10.923 10.560 2.031 369 HG3 LYS 44 HG3 LYS 44 -10.495 9.552 0.646 370 HD2 LYS 44 HD2 LYS 44 -12.092 7.848 1.399 371 HD3 LYS 44 HD3 LYS 44 -12.528 8.866 2.772 372 HE2 LYS 44 HE2 LYS 44 -14.199 9.125 1.071 373 HE3 LYS 44 HE3 LYS 44 -13.262 10.615 1.160 374 HZ1 LYS 44 HZ1 LYS 44 -12.015 9.932 -0.778 375 HZ2 LYS 44 HZ2 LYS 44 -13.672 9.916 -1.133 376 HZ3 LYS 44 HZ3 LYS 44 -12.853 8.458 -0.848 377 H VAL 45 H VAL 45 -10.890 7.368 5.929 378 HA VAL 45 HA VAL 45 -8.289 6.225 6.540 379 HB VAL 45 HB VAL 45 -10.918 5.956 8.038 380 HG11 VAL 45 HG11 VAL 45 -9.527 5.242 9.924 381 HG12 VAL 45 HG12 VAL 45 -8.097 5.329 8.894 382 HG13 VAL 45 HG13 VAL 45 -9.367 4.156 8.542 383 HG21 VAL 45 HG21 VAL 45 -10.201 8.285 7.985 384 HG22 VAL 45 HG22 VAL 45 -8.601 7.819 8.561 385 HG23 VAL 45 HG23 VAL 45 -10.006 7.614 9.606 386 H ILE 46 H ILE 46 -7.803 4.567 5.314 387 HA ILE 46 HA ILE 46 -9.828 2.506 4.685 388 HB ILE 46 HB ILE 46 -7.487 3.478 2.998 389 HG12 ILE 46 HG12 ILE 46 -9.322 5.077 2.936 390 HG13 ILE 46 HG13 ILE 46 -9.162 4.272 1.383 391 HG21 ILE 46 HG21 ILE 46 -9.490 1.336 2.312 392 HG22 ILE 46 HG22 ILE 46 -7.766 1.114 2.633 393 HG23 ILE 46 HG23 ILE 46 -8.290 2.015 1.209 394 HD11 ILE 46 HD11 ILE 46 -11.491 4.556 1.968 395 HD12 ILE 46 HD12 ILE 46 -11.235 3.699 3.488 396 HD13 ILE 46 HD13 ILE 46 -11.078 2.840 1.955 397 H SER 47 H SER 47 -9.074 0.312 4.904 398 HA SER 47 HA SER 47 -6.634 -0.068 6.423 399 HB2 SER 47 HB2 SER 47 -8.572 -2.103 5.268 400 HB3 SER 47 HB3 SER 47 -7.269 -2.456 6.401 401 HG SER 47 HG SER 47 -9.333 -0.599 6.986 402 H LEU 48 H LEU 48 -4.714 -1.047 5.643 403 HA LEU 48 HA LEU 48 -4.227 -0.961 2.821 404 HB2 LEU 48 HB2 LEU 48 -2.460 -0.558 4.519 405 HB3 LEU 48 HB3 LEU 48 -2.574 -2.241 5.007 406 HG LEU 48 HG LEU 48 -1.930 -2.816 2.597 407 HD11 LEU 48 HD11 LEU 48 -0.675 -1.102 1.399 408 HD12 LEU 48 HD12 LEU 48 -1.113 0.082 2.631 409 HD13 LEU 48 HD13 LEU 48 -2.363 -0.637 1.615 410 HD21 LEU 48 HD21 LEU 48 -0.431 -3.096 4.482 411 HD22 LEU 48 HD22 LEU 48 0.047 -1.402 4.366 412 HD23 LEU 48 HD23 LEU 48 0.444 -2.521 3.062 413 H ALA 49 H ALA 49 -5.432 -3.292 5.006 414 HA ALA 49 HA ALA 49 -4.983 -5.695 3.633 415 HB1 ALA 49 HB1 ALA 49 -5.651 -5.518 5.973 416 HB2 ALA 49 HB2 ALA 49 -6.721 -6.587 5.059 417 HB3 ALA 49 HB3 ALA 49 -7.244 -4.952 5.469 418 H ASP 50 H ASP 50 -7.143 -3.085 3.058 419 HA ASP 50 HA ASP 50 -9.217 -4.496 1.692 420 HB2 ASP 50 HB2 ASP 50 -9.669 -2.404 2.860 421 HB3 ASP 50 HB3 ASP 50 -8.534 -1.554 1.827 422 H ILE 51 H ILE 51 -6.293 -2.766 0.717 423 HA ILE 51 HA ILE 51 -7.018 -2.857 -2.078 424 HB ILE 51 HB ILE 51 -4.298 -2.073 -0.983 425 HG12 ILE 51 HG12 ILE 51 -5.429 0.285 -1.693 426 HG13 ILE 51 HG13 ILE 51 -6.842 -0.565 -1.075 427 HG21 ILE 51 HG21 ILE 51 -4.336 -2.577 -3.377 428 HG22 ILE 51 HG22 ILE 51 -4.065 -0.859 -3.093 429 HG23 ILE 51 HG23 ILE 51 -5.654 -1.426 -3.607 430 HD11 ILE 51 HD11 ILE 51 -5.766 0.797 0.628 431 HD12 ILE 51 HD12 ILE 51 -4.275 -0.124 0.425 432 HD13 ILE 51 HD13 ILE 51 -5.727 -0.918 1.039 433 H ALA 52 H ALA 52 -6.507 -4.303 -3.477 434 HA ALA 52 HA ALA 52 -4.328 -6.189 -3.051 435 HB1 ALA 52 HB1 ALA 52 -7.154 -7.051 -3.704 436 HB2 ALA 52 HB2 ALA 52 -6.299 -7.362 -2.193 437 HB3 ALA 52 HB3 ALA 52 -5.738 -8.102 -3.693 438 H MET 53 H MET 53 -3.764 -7.286 -5.087 439 HA MET 53 HA MET 53 -4.387 -5.546 -7.369 440 HB2 MET 53 HB2 MET 53 -1.838 -6.666 -6.393 441 HB3 MET 53 HB3 MET 53 -2.091 -6.805 -8.126 442 HG2 MET 53 HG2 MET 53 -0.867 -4.787 -7.575 443 HG3 MET 53 HG3 MET 53 -2.432 -4.405 -8.289 444 HE1 MET 53 HE1 MET 53 -0.654 -2.289 -6.787 445 HE2 MET 53 HE2 MET 53 -1.841 -1.461 -5.777 446 HE3 MET 53 HE3 MET 53 -2.241 -1.888 -7.443 447 H TYR 54 H TYR 54 -5.171 -6.421 -9.121 448 HA TYR 54 HA TYR 54 -5.723 -9.292 -9.053 449 HB2 TYR 54 HB2 TYR 54 -7.025 -7.164 -10.773 450 HB3 TYR 54 HB3 TYR 54 -7.577 -8.819 -10.543 451 HD1 TYR 54 HD2 TYR 54 -8.318 -9.485 -8.152 452 HD2 TYR 54 HD1 TYR 54 -7.819 -5.448 -9.405 453 HE1 TYR 54 HE2 TYR 54 -9.734 -8.732 -6.285 454 HE2 TYR 54 HE1 TYR 54 -9.228 -4.688 -7.543 455 HH TYR 54 HH TYR 54 -10.993 -5.581 -6.084 456 H THR 55 H THR 55 -5.397 -10.545 -10.949 457 HA THR 55 HA THR 55 -3.681 -9.485 -13.028 458 HB THR 55 HB THR 55 -2.113 -9.737 -11.179 459 HG1 THR 55 HG1 THR 55 -0.635 -11.263 -12.106 460 HG21 THR 55 HG21 THR 55 -3.286 -11.360 -9.829 461 HG22 THR 55 HG22 THR 55 -1.633 -11.892 -10.135 462 HG23 THR 55 HG23 THR 55 -2.970 -12.618 -11.026 463 H ASP 56 H ASP 56 -2.699 -11.753 -14.144 464 HA ASP 56 HA ASP 56 -4.830 -13.238 -15.251 465 HB2 ASP 56 HB2 ASP 56 -2.686 -12.957 -16.374 466 HB3 ASP 56 HB3 ASP 56 -1.861 -13.803 -15.077 467 H ALA 57 H ALA 57 -2.700 -13.802 -12.561 468 HA ALA 57 HA ALA 57 -3.857 -16.378 -11.890 469 HB1 ALA 57 HB1 ALA 57 -2.246 -16.370 -10.041 470 HB2 ALA 57 HB2 ALA 57 -1.796 -14.709 -10.430 471 HB3 ALA 57 HB3 ALA 57 -1.456 -16.007 -11.575 472 H GLU 58 H GLU 58 -3.910 -16.187 -9.083 473 HA GLU 58 HA GLU 58 -6.485 -14.994 -8.677 474 HB2 GLU 58 HB2 GLU 58 -4.611 -16.282 -6.692 475 HB3 GLU 58 HB3 GLU 58 -6.298 -15.884 -6.399 476 HG2 GLU 58 HG2 GLU 58 -7.006 -17.465 -8.071 477 HG3 GLU 58 HG3 GLU 58 -5.329 -17.813 -8.492 478 H GLU 59 H GLU 59 -6.676 -13.943 -6.283 479 HA GLU 59 HA GLU 59 -5.622 -11.332 -6.621 480 HB2 GLU 59 HB2 GLU 59 -6.780 -10.843 -4.471 481 HB3 GLU 59 HB3 GLU 59 -7.811 -11.581 -5.685 482 HG2 GLU 59 HG2 GLU 59 -7.596 -13.743 -4.558 483 HG3 GLU 59 HG3 GLU 59 -6.559 -13.004 -3.339 484 H VAL 60 H VAL 60 -3.848 -10.461 -5.916 485 HA VAL 60 HA VAL 60 -2.510 -11.687 -3.616 486 HB VAL 60 HB VAL 60 -1.106 -12.112 -5.517 487 HG11 VAL 60 HG11 VAL 60 -0.177 -10.385 -6.971 488 HG12 VAL 60 HG12 VAL 60 -1.186 -9.177 -6.176 489 HG13 VAL 60 HG13 VAL 60 -1.934 -10.481 -7.098 490 HG21 VAL 60 HG21 VAL 60 0.023 -9.829 -3.915 491 HG22 VAL 60 HG22 VAL 60 0.965 -10.928 -4.921 492 HG23 VAL 60 HG23 VAL 60 0.096 -11.544 -3.515 493 HA PRO 61 HA PRO 61 -3.870 -7.809 -1.798 494 HB2 PRO 61 HB2 PRO 61 -2.610 -8.239 0.609 495 HB3 PRO 61 HB3 PRO 61 -4.206 -8.864 0.182 496 HG2 PRO 61 HG2 PRO 61 -1.547 -10.226 0.094 497 HG3 PRO 61 HG3 PRO 61 -3.114 -10.856 0.640 498 HD2 PRO 61 HD2 PRO 61 -2.124 -11.493 -1.760 499 HD3 PRO 61 HD3 PRO 61 -3.863 -11.216 -1.526 500 H LEU 62 H LEU 62 -2.918 -5.869 -0.961 501 HA LEU 62 HA LEU 62 -0.712 -5.144 -2.537 502 HB2 LEU 62 HB2 LEU 62 -2.550 -3.589 -1.817 503 HB3 LEU 62 HB3 LEU 62 -1.791 -3.516 -0.240 504 HG LEU 62 HG LEU 62 0.205 -2.495 -1.194 505 HD11 LEU 62 HD11 LEU 62 0.310 -1.926 -3.565 506 HD12 LEU 62 HD12 LEU 62 -1.224 -2.755 -3.833 507 HD13 LEU 62 HD13 LEU 62 0.195 -3.671 -3.328 508 HD21 LEU 62 HD21 LEU 62 -0.719 -0.395 -2.016 509 HD22 LEU 62 HD22 LEU 62 -1.617 -0.981 -0.613 510 HD23 LEU 62 HD23 LEU 62 -2.289 -1.164 -2.236 511 H SER 63 H SER 63 -0.872 -6.039 0.843 512 HA SER 63 HA SER 63 1.621 -5.212 1.740 513 HB2 SER 63 HB2 SER 63 1.399 -7.105 3.358 514 HB3 SER 63 HB3 SER 63 -0.029 -6.073 3.249 515 HG SER 63 HG SER 63 0.355 -8.699 2.329 516 H GLU 64 H GLU 64 0.785 -8.229 0.008 517 HA GLU 64 HA GLU 64 3.472 -9.237 0.034 518 HB2 GLU 64 HB2 GLU 64 1.059 -10.066 -1.579 519 HB3 GLU 64 HB3 GLU 64 2.598 -10.914 -1.604 520 HG2 GLU 64 HG2 GLU 64 2.346 -11.276 0.856 521 HG3 GLU 64 HG3 GLU 64 0.720 -10.606 0.726 522 H VAL 65 H VAL 65 1.487 -7.402 -2.197 523 HA VAL 65 HA VAL 65 3.154 -7.427 -4.472 524 HB VAL 65 HB VAL 65 1.121 -5.400 -3.510 525 HG11 VAL 65 HG11 VAL 65 1.047 -4.538 -5.795 526 HG12 VAL 65 HG12 VAL 65 2.379 -5.603 -6.246 527 HG13 VAL 65 HG13 VAL 65 2.642 -4.308 -5.077 528 HG21 VAL 65 HG21 VAL 65 -0.315 -6.435 -5.212 529 HG22 VAL 65 HG22 VAL 65 0.188 -7.579 -3.966 530 HG23 VAL 65 HG23 VAL 65 0.960 -7.606 -5.553 531 H LEU 66 H LEU 66 3.053 -5.331 -1.636 532 HA LEU 66 HA LEU 66 4.673 -3.218 -2.411 533 HB2 LEU 66 HB2 LEU 66 4.233 -4.475 0.284 534 HB3 LEU 66 HB3 LEU 66 5.197 -3.033 0.065 535 HG LEU 66 HG LEU 66 2.316 -3.161 -0.774 536 HD11 LEU 66 HD11 LEU 66 1.807 -2.082 1.360 537 HD12 LEU 66 HD12 LEU 66 3.485 -2.302 1.864 538 HD13 LEU 66 HD13 LEU 66 2.453 -3.708 1.592 539 HD21 LEU 66 HD21 LEU 66 3.687 -1.359 -1.695 540 HD22 LEU 66 HD22 LEU 66 4.156 -0.896 -0.055 541 HD23 LEU 66 HD23 LEU 66 2.470 -0.760 -0.567 542 H GLU 67 H GLU 67 5.657 -6.184 -0.678 543 HA GLU 67 HA GLU 67 8.407 -5.392 -0.650 544 HB2 GLU 67 HB2 GLU 67 7.472 -6.746 1.153 545 HB3 GLU 67 HB3 GLU 67 7.137 -8.049 0.028 546 HG2 GLU 67 HG2 GLU 67 9.092 -8.579 1.326 547 HG3 GLU 67 HG3 GLU 67 9.558 -8.317 -0.350 548 H ALA 68 H ALA 68 6.447 -7.324 -2.814 549 HA ALA 68 HA ALA 68 8.450 -8.880 -4.011 550 HB1 ALA 68 HB1 ALA 68 5.908 -7.855 -5.272 551 HB2 ALA 68 HB2 ALA 68 6.058 -9.319 -4.298 552 HB3 ALA 68 HB3 ALA 68 6.890 -9.202 -5.849 553 H VAL 69 H VAL 69 7.082 -5.761 -5.132 554 HA VAL 69 HA VAL 69 9.098 -5.538 -7.173 555 HB VAL 69 HB VAL 69 8.114 -3.177 -7.507 556 HG11 VAL 69 HG11 VAL 69 6.233 -4.084 -8.789 557 HG12 VAL 69 HG12 VAL 69 6.394 -5.619 -7.937 558 HG13 VAL 69 HG13 VAL 69 7.689 -5.061 -8.997 559 HG21 VAL 69 HG21 VAL 69 6.932 -2.939 -5.399 560 HG22 VAL 69 HG22 VAL 69 5.965 -4.372 -5.755 561 HG23 VAL 69 HG23 VAL 69 5.789 -2.921 -6.742 562 H LYS 70 H LYS 70 8.710 -4.318 -3.929 563 HA LYS 70 HA LYS 70 10.732 -2.331 -3.995 564 HB2 LYS 70 HB2 LYS 70 8.968 -2.564 -2.235 565 HB3 LYS 70 HB3 LYS 70 9.875 -3.924 -1.594 566 HG2 LYS 70 HG2 LYS 70 11.790 -2.442 -1.219 567 HG3 LYS 70 HG3 LYS 70 10.822 -1.085 -1.796 568 HD2 LYS 70 HD2 LYS 70 10.824 -1.142 0.621 569 HD3 LYS 70 HD3 LYS 70 9.211 -1.485 0.002 570 HE2 LYS 70 HE2 LYS 70 9.807 -2.948 1.878 571 HE3 LYS 70 HE3 LYS 70 9.534 -3.856 0.394 572 HZ1 LYS 70 HZ1 LYS 70 11.934 -3.956 0.085 573 HZ2 LYS 70 HZ2 LYS 70 11.452 -4.688 1.529 574 HZ3 LYS 70 HZ3 LYS 70 12.173 -3.148 1.553 575 H LYS 71 H LYS 71 10.879 -5.808 -3.556 576 HA LYS 71 HA LYS 71 13.551 -5.903 -2.530 577 HB2 LYS 71 HB2 LYS 71 11.866 -7.699 -2.219 578 HB3 LYS 71 HB3 LYS 71 11.942 -8.047 -3.936 579 HG2 LYS 71 HG2 LYS 71 14.184 -8.833 -3.757 580 HG3 LYS 71 HG3 LYS 71 14.310 -8.246 -2.099 581 HD2 LYS 71 HD2 LYS 71 13.984 -10.652 -2.117 582 HD3 LYS 71 HD3 LYS 71 12.586 -9.848 -1.407 583 HE2 LYS 71 HE2 LYS 71 11.373 -10.079 -3.510 584 HE3 LYS 71 HE3 LYS 71 12.775 -10.855 -4.244 585 HZ1 LYS 71 HZ1 LYS 71 12.572 -12.652 -2.639 586 HZ2 LYS 71 HZ2 LYS 71 11.146 -12.479 -3.538 587 HZ3 LYS 71 HZ3 LYS 71 11.216 -11.905 -1.943 588 H LYS 72 H LYS 72 12.101 -5.795 -5.704 589 HA LYS 72 HA LYS 72 14.501 -6.208 -7.213 590 HB2 LYS 72 HB2 LYS 72 11.889 -6.241 -7.850 591 HB3 LYS 72 HB3 LYS 72 12.248 -4.588 -8.312 592 HG2 LYS 72 HG2 LYS 72 13.935 -6.836 -9.324 593 HG3 LYS 72 HG3 LYS 72 12.382 -6.470 -10.070 594 HD2 LYS 72 HD2 LYS 72 13.104 -4.250 -10.619 595 HD3 LYS 72 HD3 LYS 72 14.603 -4.462 -9.711 596 HE2 LYS 72 HE2 LYS 72 15.272 -6.242 -11.258 597 HE3 LYS 72 HE3 LYS 72 13.776 -6.009 -12.162 598 HZ1 LYS 72 HZ1 LYS 72 15.842 -3.915 -11.775 599 HZ2 LYS 72 HZ2 LYS 72 14.453 -3.811 -12.746 600 HZ3 LYS 72 HZ3 LYS 72 15.699 -4.880 -13.161 601 H GLU 73 H GLU 73 12.975 -3.507 -5.631 602 HA GLU 73 HA GLU 73 14.866 -1.529 -6.589 603 HB2 GLU 73 HB2 GLU 73 12.670 -1.438 -4.511 604 HB3 GLU 73 HB3 GLU 73 13.693 -0.061 -4.891 605 HG2 GLU 73 HG2 GLU 73 11.905 -1.476 -6.856 606 HG3 GLU 73 HG3 GLU 73 11.498 0.011 -5.994 607 H ASN 74 H ASN 74 15.694 -3.960 -5.041 608 HA ASN 74 HA ASN 74 17.494 -4.546 -3.843 609 HB2 ASN 74 HB2 ASN 74 18.033 -1.596 -3.445 610 HB3 ASN 74 HB3 ASN 74 19.149 -2.910 -3.078 611 HD21 ASN 74 HD21 ASN 74 17.801 -0.899 -5.509 612 HD22 ASN 74 HD22 ASN 74 18.755 -1.470 -6.834 613 H GLY 75 H GLY 75 14.800 -3.771 -2.578 614 HA2 GLY 75 HA2 GLY 75 13.967 -4.341 -0.498 615 HA3 GLY 75 HA3 GLY 75 15.604 -4.399 0.123 616 H ALA 76 H ALA 76 15.483 -1.490 -1.317 617 HA ALA 76 HA ALA 76 15.028 -0.225 1.289 618 HB1 ALA 76 HB1 ALA 76 16.583 0.717 -1.116 619 HB2 ALA 76 HB2 ALA 76 17.258 -0.019 0.339 620 HB3 ALA 76 HB3 ALA 76 16.470 1.557 0.432 621 H VAL 77 H VAL 77 14.656 2.374 0.670 622 HA VAL 77 HA VAL 77 11.986 2.602 -0.224 623 HB VAL 77 HB VAL 77 12.911 4.195 1.355 624 HG11 VAL 77 HG11 VAL 77 14.507 5.939 0.710 625 HG12 VAL 77 HG12 VAL 77 14.736 5.136 -0.845 626 HG13 VAL 77 HG13 VAL 77 15.207 4.321 0.648 627 HG21 VAL 77 HG21 VAL 77 12.180 6.317 0.345 628 HG22 VAL 77 HG22 VAL 77 11.056 4.989 0.056 629 HG23 VAL 77 HG23 VAL 77 12.136 5.526 -1.231 630 H ALA 78 H ALA 78 11.131 3.036 -2.178 631 HA ALA 78 HA ALA 78 12.573 2.155 -4.431 632 HB1 ALA 78 HB1 ALA 78 9.879 3.494 -4.310 633 HB2 ALA 78 HB2 ALA 78 10.184 1.765 -4.147 634 HB3 ALA 78 HB3 ALA 78 10.524 2.581 -5.674 635 H SER 79 H SER 79 13.106 3.155 -6.327 636 HA SER 79 HA SER 79 14.216 5.811 -5.956 637 HB2 SER 79 HB2 SER 79 14.462 4.081 -8.415 638 HB3 SER 79 HB3 SER 79 15.600 5.281 -7.799 639 HG SER 79 HG SER 79 15.027 2.694 -6.782 640 H ILE 80 H ILE 80 11.333 4.677 -7.072 641 HA ILE 80 HA ILE 80 10.944 6.666 -9.156 642 HB ILE 80 HB ILE 80 10.084 4.415 -9.551 643 HG12 ILE 80 HG12 ILE 80 7.789 6.334 -9.085 644 HG13 ILE 80 HG13 ILE 80 8.826 6.319 -10.506 645 HG21 ILE 80 HG21 ILE 80 9.744 3.743 -7.227 646 HG22 ILE 80 HG22 ILE 80 8.320 3.415 -8.215 647 HG23 ILE 80 HG23 ILE 80 8.335 4.804 -7.125 648 HD11 ILE 80 HD11 ILE 80 8.012 4.130 -11.115 649 HD12 ILE 80 HD12 ILE 80 6.655 5.236 -10.891 650 HD13 ILE 80 HD13 ILE 80 7.046 4.049 -9.640 651 H ASN 81 H ASN 81 9.625 8.462 -8.913 652 HA ASN 81 HA ASN 81 8.413 8.857 -6.260 653 HB2 ASN 81 HB2 ASN 81 9.476 10.912 -8.205 654 HB3 ASN 81 HB3 ASN 81 8.507 11.319 -6.796 655 HD21 ASN 81 HD21 ASN 81 9.784 9.226 -5.153 656 HD22 ASN 81 HD22 ASN 81 11.351 9.839 -4.763 657 H TYR 82 H TYR 82 6.286 9.268 -6.157 658 HA TYR 82 HA TYR 82 4.703 8.475 -8.364 659 HB2 TYR 82 HB2 TYR 82 2.749 8.997 -6.888 660 HB3 TYR 82 HB3 TYR 82 3.902 7.879 -6.197 661 HD1 TYR 82 HD1 TYR 82 5.615 8.939 -4.494 662 HD2 TYR 82 HD2 TYR 82 1.947 10.756 -5.668 663 HE1 TYR 82 HE1 TYR 82 5.636 10.282 -2.443 664 HE2 TYR 82 HE2 TYR 82 1.971 12.116 -3.613 665 HH TYR 82 HH TYR 82 3.026 11.818 -1.237 666 H LYS 83 H LYS 83 5.299 11.611 -6.903 667 HA LYS 83 HA LYS 83 3.430 12.894 -8.723 668 HB2 LYS 83 HB2 LYS 83 3.948 14.915 -7.369 669 HB3 LYS 83 HB3 LYS 83 3.333 13.565 -6.427 670 HG2 LYS 83 HG2 LYS 83 5.828 13.048 -5.971 671 HG3 LYS 83 HG3 LYS 83 6.101 14.706 -6.509 672 HD2 LYS 83 HD2 LYS 83 4.401 13.782 -4.192 673 HD3 LYS 83 HD3 LYS 83 5.892 14.722 -4.118 674 HE2 LYS 83 HE2 LYS 83 4.753 16.570 -5.282 675 HE3 LYS 83 HE3 LYS 83 3.273 15.611 -5.309 676 HZ1 LYS 83 HZ1 LYS 83 4.679 16.459 -2.835 677 HZ2 LYS 83 HZ2 LYS 83 3.186 15.660 -2.933 678 HZ3 LYS 83 HZ3 LYS 83 3.333 17.251 -3.495 679 H LYS 84 H LYS 84 5.855 11.651 -9.699 680 HA LYS 84 HA LYS 84 6.994 13.823 -11.242 681 HB2 LYS 84 HB2 LYS 84 8.684 11.941 -9.573 682 HB3 LYS 84 HB3 LYS 84 9.326 12.859 -10.928 683 HG2 LYS 84 HG2 LYS 84 8.780 14.941 -9.805 684 HG3 LYS 84 HG3 LYS 84 8.058 14.043 -8.468 685 HD2 LYS 84 HD2 LYS 84 10.276 12.975 -8.082 686 HD3 LYS 84 HD3 LYS 84 10.950 14.062 -9.303 687 HE2 LYS 84 HE2 LYS 84 10.325 15.987 -8.001 688 HE3 LYS 84 HE3 LYS 84 9.493 14.965 -6.829 689 HZ1 LYS 84 HZ1 LYS 84 12.407 14.931 -7.387 690 HZ2 LYS 84 HZ2 LYS 84 11.601 13.951 -6.267 691 HZ3 LYS 84 HZ3 LYS 84 11.664 15.625 -6.030 692 H ALA 85 H ALA 85 5.322 11.207 -11.234 693 HA ALA 85 HA ALA 85 6.532 10.101 -13.671 694 HB1 ALA 85 HB1 ALA 85 4.993 8.535 -11.589 695 HB2 ALA 85 HB2 ALA 85 6.741 8.493 -11.823 696 HB3 ALA 85 HB3 ALA 85 5.670 7.898 -13.092 697 H SER 86 H SER 86 4.913 9.030 -15.081 698 HA SER 86 HA SER 86 2.452 10.634 -15.190 699 HB2 SER 86 HB2 SER 86 4.013 9.310 -17.415 700 HB3 SER 86 HB3 SER 86 2.555 10.278 -17.630 701 HG SER 86 HG SER 86 4.658 11.431 -16.214 702 H ALA 87 H ALA 87 1.405 8.841 -17.363 703 HA ALA 87 HA ALA 87 0.249 6.806 -15.683 704 HB1 ALA 87 HB1 ALA 87 -0.222 7.287 -18.612 705 HB2 ALA 87 HB2 ALA 87 -1.120 8.043 -17.295 706 HB3 ALA 87 HB3 ALA 87 -1.199 6.297 -17.528 707 H ASP 88 H ASP 88 2.090 6.636 -18.767 708 HA ASP 88 HA ASP 88 1.784 3.835 -18.966 709 HB2 ASP 88 HB2 ASP 88 3.342 5.863 -20.478 710 HB3 ASP 88 HB3 ASP 88 3.708 4.162 -20.732 711 H GLU 89 H GLU 89 4.656 5.725 -18.170 712 HA GLU 89 HA GLU 89 6.352 3.456 -17.935 713 HB2 GLU 89 HB2 GLU 89 7.791 5.359 -16.684 714 HB3 GLU 89 HB3 GLU 89 7.701 5.197 -18.426 715 HG2 GLU 89 HG2 GLU 89 7.459 7.506 -17.895 716 HG3 GLU 89 HG3 GLU 89 5.892 6.915 -18.420 717 H LEU 90 H LEU 90 4.299 5.120 -15.715 718 HA LEU 90 HA LEU 90 5.311 4.153 -13.272 719 HB2 LEU 90 HB2 LEU 90 3.811 6.056 -13.468 720 HB3 LEU 90 HB3 LEU 90 2.546 5.034 -14.096 721 HG LEU 90 HG LEU 90 2.376 5.903 -11.689 722 HD11 LEU 90 HD11 LEU 90 1.963 2.986 -12.248 723 HD12 LEU 90 HD12 LEU 90 0.828 4.302 -12.556 724 HD13 LEU 90 HD13 LEU 90 1.262 3.880 -10.898 725 HD21 LEU 90 HD21 LEU 90 4.591 5.358 -10.896 726 HD22 LEU 90 HD22 LEU 90 4.295 3.642 -11.183 727 HD23 LEU 90 HD23 LEU 90 3.370 4.503 -9.953 728 H HIS 91 H HIS 91 2.751 2.787 -15.444 729 HA HIS 91 HA HIS 91 2.500 0.561 -13.634 730 HB2 HIS 91 HB2 HIS 91 0.845 -0.402 -15.199 731 HB3 HIS 91 HB3 HIS 91 0.441 1.211 -14.654 732 HD1 HIS 91 HD1 HIS 91 1.782 -0.548 -17.768 733 HD2 HIS 91 HD2 HIS 91 -0.200 2.928 -16.640 734 HE1 HIS 91 HE1 HIS 91 1.036 0.535 -19.911 735 HE2 HIS 91 HE2 HIS 91 -0.289 2.548 -19.198 736 H ALA 92 H ALA 92 4.341 1.250 -16.466 737 HA ALA 92 HA ALA 92 5.091 -1.447 -17.055 738 HB1 ALA 92 HB1 ALA 92 6.824 -0.474 -18.444 739 HB2 ALA 92 HB2 ALA 92 6.565 1.103 -17.699 740 HB3 ALA 92 HB3 ALA 92 5.299 0.380 -18.692 741 H TYR 93 H TYR 93 6.104 0.881 -14.709 742 HA TYR 93 HA TYR 93 8.599 -0.200 -13.931 743 HB2 TYR 93 HB2 TYR 93 7.371 2.053 -13.358 744 HB3 TYR 93 HB3 TYR 93 6.729 1.129 -12.009 745 HD1 TYR 93 HD2 TYR 93 9.716 2.619 -13.484 746 HD2 TYR 93 HD1 TYR 93 8.158 0.482 -10.155 747 HE1 TYR 93 HE2 TYR 93 11.734 3.174 -12.202 748 HE2 TYR 93 HE1 TYR 93 10.174 1.040 -8.853 749 HH TYR 93 HH TYR 93 12.462 1.731 -9.157 750 H PHE 94 H PHE 94 5.305 -1.080 -13.240 751 HA PHE 94 HA PHE 94 5.786 -2.738 -10.962 752 HB2 PHE 94 HB2 PHE 94 3.617 -1.614 -11.495 753 HB3 PHE 94 HB3 PHE 94 3.449 -2.702 -12.863 754 HD1 PHE 94 HD1 PHE 94 4.028 -2.861 -9.191 755 HD2 PHE 94 HD2 PHE 94 2.137 -4.560 -12.600 756 HE1 PHE 94 HE1 PHE 94 2.889 -4.490 -7.748 757 HE2 PHE 94 HE2 PHE 94 0.994 -6.194 -11.161 758 HZ PHE 94 HZ PHE 94 1.370 -6.157 -8.729 759 H ALA 95 H ALA 95 6.100 -3.157 -14.360 760 HA ALA 95 HA ALA 95 5.514 -5.962 -14.512 761 HB1 ALA 95 HB1 ALA 95 6.818 -4.139 -16.518 762 HB2 ALA 95 HB2 ALA 95 5.086 -4.428 -16.358 763 HB3 ALA 95 HB3 ALA 95 6.160 -5.743 -16.840 764 H GLU 96 H GLU 96 7.925 -4.811 -12.892 765 HA GLU 96 HA GLU 96 10.240 -5.923 -14.099 766 HB2 GLU 96 HB2 GLU 96 9.648 -4.870 -11.346 767 HB3 GLU 96 HB3 GLU 96 11.234 -5.486 -11.802 768 HG2 GLU 96 HG2 GLU 96 9.781 -3.144 -13.013 769 HG3 GLU 96 HG3 GLU 96 11.188 -3.081 -11.957 770 H VAL 97 H VAL 97 8.564 -6.899 -11.061 771 HA VAL 97 HA VAL 97 9.621 -9.594 -11.543 772 HB VAL 97 HB VAL 97 8.940 -10.090 -9.164 773 HG11 VAL 97 HG11 VAL 97 11.249 -9.707 -9.780 774 HG12 VAL 97 HG12 VAL 97 10.908 -8.990 -8.205 775 HG13 VAL 97 HG13 VAL 97 11.022 -7.963 -9.634 776 HG21 VAL 97 HG21 VAL 97 8.667 -7.093 -9.047 777 HG22 VAL 97 HG22 VAL 97 8.685 -8.178 -7.655 778 HG23 VAL 97 HG23 VAL 97 7.372 -8.272 -8.830 779 H LEU 98 H LEU 98 6.689 -7.824 -11.609 780 HA LEU 98 HA LEU 98 5.254 -10.369 -11.970 781 HB2 LEU 98 HB2 LEU 98 4.204 -7.657 -11.164 782 HB3 LEU 98 HB3 LEU 98 3.152 -8.873 -11.842 783 HG LEU 98 HG LEU 98 2.777 -9.086 -9.582 784 HD11 LEU 98 HD11 LEU 98 3.273 -11.260 -10.497 785 HD12 LEU 98 HD12 LEU 98 3.789 -11.167 -8.813 786 HD13 LEU 98 HD13 LEU 98 4.982 -11.061 -10.109 787 HD21 LEU 98 HD21 LEU 98 5.723 -8.758 -9.064 788 HD22 LEU 98 HD22 LEU 98 4.488 -9.047 -7.839 789 HD23 LEU 98 HD23 LEU 98 4.462 -7.557 -8.781 790 HA PRO 99 HA PRO 99 5.173 -8.637 -16.162 791 HB2 PRO 99 HB2 PRO 99 5.928 -10.965 -17.424 792 HB3 PRO 99 HB3 PRO 99 7.034 -9.714 -16.858 793 HG2 PRO 99 HG2 PRO 99 6.710 -12.393 -15.861 794 HG3 PRO 99 HG3 PRO 99 7.866 -11.160 -15.341 795 HD2 PRO 99 HD2 PRO 99 5.315 -11.973 -14.115 796 HD3 PRO 99 HD3 PRO 99 6.693 -11.111 -13.394 797 H ASN 100 H ASN 100 3.430 -11.177 -14.669 798 HA ASN 100 HA ASN 100 1.865 -11.798 -17.064 799 HB2 ASN 100 HB2 ASN 100 0.973 -13.703 -15.829 800 HB3 ASN 100 HB3 ASN 100 2.727 -13.710 -15.784 801 HD21 ASN 100 HD21 ASN 100 0.468 -14.771 -14.045 802 HD22 ASN 100 HD22 ASN 100 0.950 -14.340 -12.441 803 H TYR 101 H TYR 101 1.645 -9.410 -14.984 804 HA TYR 101 HA TYR 101 -1.144 -9.590 -14.255 805 HB2 TYR 101 HB2 TYR 101 -0.881 -7.445 -13.240 806 HB3 TYR 101 HB3 TYR 101 0.642 -8.277 -12.961 807 HD1 TYR 101 HD1 TYR 101 2.484 -7.831 -14.779 808 HD2 TYR 101 HD2 TYR 101 -0.824 -5.271 -14.066 809 HE1 TYR 101 HE1 TYR 101 3.673 -6.004 -15.885 810 HE2 TYR 101 HE2 TYR 101 0.362 -3.425 -15.174 811 HH TYR 101 HH TYR 101 2.839 -2.842 -15.634 812 H ASP 102 H ASP 102 -2.651 -7.746 -14.954 813 HA ASP 102 HA ASP 102 -2.106 -7.032 -17.754 814 HB2 ASP 102 HB2 ASP 102 -4.039 -8.712 -17.278 815 HB3 ASP 102 HB3 ASP 102 -4.909 -7.290 -16.702 816 H ARG 103 H ARG 103 -2.784 -4.979 -18.441 817 HA ARG 103 HA ARG 103 -2.618 -2.955 -16.413 818 HB2 ARG 103 HB2 ARG 103 -2.811 -1.391 -18.430 819 HB3 ARG 103 HB3 ARG 103 -1.407 -2.444 -18.348 820 HG2 ARG 103 HG2 ARG 103 -2.430 -3.960 -19.955 821 HG3 ARG 103 HG3 ARG 103 -3.870 -2.946 -20.015 822 HD2 ARG 103 HD2 ARG 103 -2.636 -1.141 -20.998 823 HD3 ARG 103 HD3 ARG 103 -1.108 -1.987 -20.754 824 HE ARG 103 HE ARG 103 -2.359 -3.720 -22.317 825 HH11 ARG 103 HH11 ARG 103 -2.197 -0.222 -22.659 826 HH12 ARG 103 HH12 ARG 103 -2.274 -0.268 -24.391 827 HH21 ARG 103 HH21 ARG 103 -2.460 -3.765 -24.575 828 HH22 ARG 103 HH22 ARG 103 -2.413 -2.285 -25.483 829 H ASP 104 H ASP 104 -5.223 -4.615 -17.769 830 HA ASP 104 HA ASP 104 -7.276 -2.640 -17.466 831 HB2 ASP 104 HB2 ASP 104 -7.683 -4.583 -18.848 832 HB3 ASP 104 HB3 ASP 104 -7.326 -5.665 -17.514 833 H ARG 105 H ARG 105 -5.822 -5.076 -15.419 834 HA ARG 105 HA ARG 105 -7.668 -4.629 -13.227 835 HB2 ARG 105 HB2 ARG 105 -5.205 -6.367 -13.429 836 HB3 ARG 105 HB3 ARG 105 -6.359 -6.384 -12.106 837 HG2 ARG 105 HG2 ARG 105 -7.014 -7.095 -14.954 838 HG3 ARG 105 HG3 ARG 105 -6.626 -8.260 -13.688 839 HD2 ARG 105 HD2 ARG 105 -8.546 -7.308 -12.375 840 HD3 ARG 105 HD3 ARG 105 -8.978 -6.386 -13.814 841 HE ARG 105 HE ARG 105 -8.710 -9.163 -14.378 842 HH11 ARG 105 HH11 ARG 105 -10.922 -6.761 -13.090 843 HH12 ARG 105 HH12 ARG 105 -12.334 -7.733 -13.383 844 HH21 ARG 105 HH21 ARG 105 -10.552 -10.433 -14.748 845 HH22 ARG 105 HH22 ARG 105 -12.122 -9.812 -14.327 846 H VAL 106 H VAL 106 -4.178 -4.418 -13.766 847 HA VAL 106 HA VAL 106 -3.844 -2.624 -11.490 848 HB VAL 106 HB VAL 106 -1.807 -3.860 -13.376 849 HG11 VAL 106 HG11 VAL 106 -1.338 -2.280 -10.852 850 HG12 VAL 106 HG12 VAL 106 -0.991 -1.741 -12.496 851 HG13 VAL 106 HG13 VAL 106 -0.102 -3.101 -11.806 852 HG21 VAL 106 HG21 VAL 106 -2.469 -4.532 -10.509 853 HG22 VAL 106 HG22 VAL 106 -1.189 -5.267 -11.476 854 HG23 VAL 106 HG23 VAL 106 -2.878 -5.504 -11.923 855 H HIS 107 H HIS 107 -4.260 -0.541 -11.880 856 HA HIS 107 HA HIS 107 -4.478 0.291 -14.670 857 HB2 HIS 107 HB2 HIS 107 -5.360 1.835 -12.220 858 HB3 HIS 107 HB3 HIS 107 -5.817 2.147 -13.883 859 HD1 HIS 107 HD1 HIS 107 -6.716 0.202 -10.898 860 HD2 HIS 107 HD2 HIS 107 -7.760 0.330 -14.917 861 HE1 HIS 107 HE1 HIS 107 -8.915 -1.001 -11.058 862 HE2 HIS 107 HE2 HIS 107 -9.602 -0.782 -13.469 863 H ASN 108 H ASN 108 -3.774 2.308 -11.895 864 HA ASN 108 HA ASN 108 -1.186 3.176 -12.644 865 HB2 ASN 108 HB2 ASN 108 -2.264 4.287 -14.523 866 HB3 ASN 108 HB3 ASN 108 -3.530 4.931 -13.481 867 HD21 ASN 108 HD21 ASN 108 -0.136 5.154 -14.338 868 HD22 ASN 108 HD22 ASN 108 0.115 6.747 -13.719 869 H GLY 109 H GLY 109 -4.276 4.324 -11.285 870 HA2 GLY 109 HA2 GLY 109 -3.099 6.030 -9.363 871 HA3 GLY 109 HA3 GLY 109 -4.774 5.496 -9.381 872 H ASP 110 H ASP 110 -3.951 2.655 -9.244 873 HA ASP 110 HA ASP 110 -3.792 2.386 -6.413 874 HB2 ASP 110 HB2 ASP 110 -3.646 -0.111 -7.026 875 HB3 ASP 110 HB3 ASP 110 -5.125 0.760 -7.408 876 H ILE 111 H ILE 111 -1.484 1.969 -9.039 877 HA ILE 111 HA ILE 111 0.643 1.137 -7.322 878 HB ILE 111 HB ILE 111 0.883 2.303 -10.109 879 HG12 ILE 111 HG12 ILE 111 -0.555 0.316 -10.109 880 HG13 ILE 111 HG13 ILE 111 0.974 -0.007 -10.914 881 HG21 ILE 111 HG21 ILE 111 3.042 1.131 -10.202 882 HG22 ILE 111 HG22 ILE 111 2.829 0.610 -8.530 883 HG23 ILE 111 HG23 ILE 111 3.010 2.324 -8.903 884 HD11 ILE 111 HD11 ILE 111 1.775 -1.170 -8.914 885 HD12 ILE 111 HD12 ILE 111 0.287 -1.885 -9.536 886 HD13 ILE 111 HD13 ILE 111 0.237 -0.841 -8.115 887 H LYS 112 H LYS 112 -0.514 4.225 -8.577 888 HA LYS 112 HA LYS 112 1.689 5.821 -7.796 889 HB2 LYS 112 HB2 LYS 112 -1.163 6.399 -8.484 890 HB3 LYS 112 HB3 LYS 112 -0.171 7.668 -7.784 891 HG2 LYS 112 HG2 LYS 112 0.529 6.143 -10.281 892 HG3 LYS 112 HG3 LYS 112 -0.262 7.723 -10.246 893 HD2 LYS 112 HD2 LYS 112 1.688 8.581 -8.960 894 HD3 LYS 112 HD3 LYS 112 2.483 7.027 -9.226 895 HE2 LYS 112 HE2 LYS 112 3.296 8.499 -10.897 896 HE3 LYS 112 HE3 LYS 112 2.164 7.407 -11.692 897 HZ1 LYS 112 HZ1 LYS 112 1.562 10.179 -10.811 898 HZ2 LYS 112 HZ2 LYS 112 0.478 9.137 -11.591 899 HZ3 LYS 112 HZ3 LYS 112 1.855 9.690 -12.407 900 H LYS 113 H LYS 113 -1.272 4.908 -6.081 901 HA LYS 113 HA LYS 113 -0.675 6.507 -3.788 902 HB2 LYS 113 HB2 LYS 113 -2.533 5.403 -2.711 903 HB3 LYS 113 HB3 LYS 113 -2.985 5.792 -4.362 904 HG2 LYS 113 HG2 LYS 113 -2.252 3.338 -4.854 905 HG3 LYS 113 HG3 LYS 113 -2.458 3.130 -3.115 906 HD2 LYS 113 HD2 LYS 113 -4.567 4.127 -5.032 907 HD3 LYS 113 HD3 LYS 113 -4.486 2.508 -4.350 908 HE2 LYS 113 HE2 LYS 113 -4.826 3.418 -2.127 909 HE3 LYS 113 HE3 LYS 113 -4.846 5.053 -2.782 910 HZ1 LYS 113 HZ1 LYS 113 -6.813 2.910 -3.380 911 HZ2 LYS 113 HZ2 LYS 113 -6.828 4.464 -4.050 912 HZ3 LYS 113 HZ3 LYS 113 -7.077 4.257 -2.385 913 H LEU 114 H LEU 114 0.160 3.277 -4.841 914 HA LEU 114 HA LEU 114 1.217 2.354 -2.384 915 HB2 LEU 114 HB2 LEU 114 0.753 0.622 -3.830 916 HB3 LEU 114 HB3 LEU 114 1.311 1.493 -5.237 917 HG LEU 114 HG LEU 114 3.383 0.531 -3.296 918 HD11 LEU 114 HD11 LEU 114 1.900 -1.398 -3.552 919 HD12 LEU 114 HD12 LEU 114 3.437 -1.649 -4.378 920 HD13 LEU 114 HD13 LEU 114 1.994 -1.236 -5.306 921 HD21 LEU 114 HD21 LEU 114 4.049 1.820 -5.226 922 HD22 LEU 114 HD22 LEU 114 3.179 0.714 -6.294 923 HD23 LEU 114 HD23 LEU 114 4.593 0.147 -5.400 924 H ILE 115 H ILE 115 2.624 4.265 -5.043 925 HA ILE 115 HA ILE 115 5.310 4.231 -4.029 926 HB ILE 115 HB ILE 115 4.199 6.498 -5.689 927 HG12 ILE 115 HG12 ILE 115 3.579 4.414 -6.852 928 HG13 ILE 115 HG13 ILE 115 4.788 5.331 -7.739 929 HG21 ILE 115 HG21 ILE 115 6.503 6.611 -6.560 930 HG22 ILE 115 HG22 ILE 115 6.955 5.293 -5.477 931 HG23 ILE 115 HG23 ILE 115 6.424 6.838 -4.811 932 HD11 ILE 115 HD11 ILE 115 5.314 2.884 -6.061 933 HD12 ILE 115 HD12 ILE 115 6.519 3.789 -6.980 934 HD13 ILE 115 HD13 ILE 115 5.224 2.940 -7.822 935 H SER 116 H SER 116 2.484 6.234 -3.521 936 HA SER 116 HA SER 116 3.687 8.346 -2.083 937 HB2 SER 116 HB2 SER 116 1.409 8.401 -3.119 938 HB3 SER 116 HB3 SER 116 0.850 7.316 -1.849 939 HG SER 116 HG SER 116 1.252 8.915 -0.338 940 H TRP 117 H TRP 117 2.345 5.225 -1.100 941 HA TRP 117 HA TRP 117 2.791 5.779 1.703 942 HB2 TRP 117 HB2 TRP 117 1.967 3.194 0.371 943 HB3 TRP 117 HB3 TRP 117 1.948 3.515 2.100 944 HD1 TRP 117 HD1 TRP 117 0.555 6.474 1.811 945 HE1 TRP 117 HE1 TRP 117 -1.960 6.562 1.231 946 HE3 TRP 117 HE3 TRP 117 -0.020 1.769 -0.086 947 HZ2 TRP 117 HZ2 TRP 117 -3.918 4.861 0.163 948 HZ3 TRP 117 HZ3 TRP 117 -2.245 1.075 -0.848 949 HH2 TRP 117 HH2 TRP 117 -4.151 2.585 -0.727 950 H TYR 118 H TYR 118 4.488 4.331 -0.917 951 HA TYR 118 HA TYR 118 6.244 2.528 0.258 952 HB2 TYR 118 HB2 TYR 118 6.084 4.046 -2.189 953 HB3 TYR 118 HB3 TYR 118 7.745 3.974 -1.625 954 HD1 TYR 118 HD1 TYR 118 6.887 1.073 -0.330 955 HD2 TYR 118 HD2 TYR 118 6.989 2.886 -4.170 956 HE1 TYR 118 HE1 TYR 118 7.169 -1.139 -1.351 957 HE2 TYR 118 HE2 TYR 118 7.272 0.689 -5.223 958 HH TYR 118 HH TYR 118 6.876 -2.239 -3.454 959 H ASN 119 H ASN 119 6.562 5.996 -0.163 960 HA ASN 119 HA ASN 119 9.239 6.106 0.813 961 HB2 ASN 119 HB2 ASN 119 7.246 8.339 0.401 962 HB3 ASN 119 HB3 ASN 119 8.970 8.543 0.673 963 HD21 ASN 119 HD21 ASN 119 9.814 6.365 -0.977 964 HD22 ASN 119 HD22 ASN 119 9.527 6.819 -2.620 965 H ILE 120 H ILE 120 6.108 6.362 2.318 966 HA ILE 120 HA ILE 120 7.095 7.365 4.845 967 HB ILE 120 HB ILE 120 4.412 6.208 4.037 968 HG12 ILE 120 HG12 ILE 120 5.162 9.088 4.543 969 HG13 ILE 120 HG13 ILE 120 5.244 8.351 2.949 970 HG21 ILE 120 HG21 ILE 120 3.505 7.169 6.083 971 HG22 ILE 120 HG22 ILE 120 5.112 7.717 6.566 972 HG23 ILE 120 HG23 ILE 120 4.760 5.990 6.467 973 HD11 ILE 120 HD11 ILE 120 2.771 8.665 4.632 974 HD12 ILE 120 HD12 ILE 120 2.845 7.910 3.040 975 HD13 ILE 120 HD13 ILE 120 3.211 9.626 3.220 976 H LEU 121 H LEU 121 6.220 4.254 3.471 977 HA LEU 121 HA LEU 121 6.075 2.757 5.878 978 HB2 LEU 121 HB2 LEU 121 5.083 2.427 3.458 979 HB3 LEU 121 HB3 LEU 121 6.560 1.535 3.184 980 HG LEU 121 HG LEU 121 5.933 -0.126 4.840 981 HD11 LEU 121 HD11 LEU 121 4.779 1.319 6.450 982 HD12 LEU 121 HD12 LEU 121 3.784 -0.060 5.985 983 HD13 LEU 121 HD13 LEU 121 3.455 1.533 5.304 984 HD21 LEU 121 HD21 LEU 121 3.640 0.568 3.013 985 HD22 LEU 121 HD22 LEU 121 3.909 -0.997 3.780 986 HD23 LEU 121 HD23 LEU 121 5.058 -0.390 2.587 987 H VAL 122 H VAL 122 8.528 2.741 3.262 988 HA VAL 122 HA VAL 122 10.300 1.016 4.685 989 HB VAL 122 HB VAL 122 11.205 2.801 2.435 990 HG11 VAL 122 HG11 VAL 122 12.640 0.895 1.892 991 HG12 VAL 122 HG12 VAL 122 11.964 -0.004 3.251 992 HG13 VAL 122 HG13 VAL 122 12.910 1.456 3.543 993 HG21 VAL 122 HG21 VAL 122 9.091 1.820 1.723 994 HG22 VAL 122 HG22 VAL 122 9.682 0.215 2.154 995 HG23 VAL 122 HG23 VAL 122 10.445 1.112 0.841 996 H ASN 123 H ASN 123 9.894 4.470 4.666 997 HA ASN 123 HA ASN 123 12.532 5.313 5.249 998 HB2 ASN 123 HB2 ASN 123 10.490 6.687 4.469 999 HB3 ASN 123 HB3 ASN 123 10.081 6.777 6.174 1000 HD21 ASN 123 HD21 ASN 123 13.289 6.883 4.701 1001 HD22 ASN 123 HD22 ASN 123 13.670 8.482 5.238 1002 H ASN 124 H ASN 124 9.831 4.436 7.347 1003 HA ASN 124 HA ASN 124 11.481 5.084 9.682 1004 HB2 ASN 124 HB2 ASN 124 8.492 4.726 9.410 1005 HB3 ASN 124 HB3 ASN 124 9.316 4.988 10.943 1006 HD21 ASN 124 HD21 ASN 124 8.193 6.432 8.015 1007 HD22 ASN 124 HD22 ASN 124 8.582 8.063 8.431 1008 H GLY 125 H GLY 125 11.143 2.549 7.853 1009 HA2 GLY 125 HA2 GLY 125 11.424 0.289 8.100 1010 HA3 GLY 125 HA3 GLY 125 11.912 0.635 9.751 1011 H ILE 126 H ILE 126 8.820 0.914 8.000 1012 HA ILE 126 HA ILE 126 7.406 -0.248 10.240 1013 HB ILE 126 HB ILE 126 6.255 0.434 7.524 1014 HG12 ILE 126 HG12 ILE 126 6.457 2.225 9.966 1015 HG13 ILE 126 HG13 ILE 126 7.422 2.396 8.506 1016 HG21 ILE 126 HG21 ILE 126 4.988 0.144 10.253 1017 HG22 ILE 126 HG22 ILE 126 4.839 -0.982 8.900 1018 HG23 ILE 126 HG23 ILE 126 4.144 0.637 8.784 1019 HD11 ILE 126 HD11 ILE 126 5.610 4.018 8.591 1020 HD12 ILE 126 HD12 ILE 126 4.431 2.709 8.675 1021 HD13 ILE 126 HD13 ILE 126 5.417 2.915 7.227 1022 H THR 127 H THR 127 6.800 -2.334 10.411 1023 HA THR 127 HA THR 127 8.077 -4.169 8.561 1024 HB THR 127 HB THR 127 7.423 -5.852 10.373 1025 HG1 THR 127 HG1 THR 127 6.457 -5.109 12.141 1026 HG21 THR 127 HG21 THR 127 9.235 -5.135 11.852 1027 HG22 THR 127 HG22 THR 127 9.193 -3.525 11.132 1028 HG23 THR 127 HG23 THR 127 9.681 -4.913 10.158 1029 H GLU 128 H GLU 128 5.469 -2.869 7.861 1030 HA GLU 128 HA GLU 128 3.710 -5.199 7.793 1031 HB2 GLU 128 HB2 GLU 128 3.161 -2.259 7.484 1032 HB3 GLU 128 HB3 GLU 128 1.960 -3.501 7.162 1033 HG2 GLU 128 HG2 GLU 128 3.381 -3.123 9.788 1034 HG3 GLU 128 HG3 GLU 128 1.778 -2.497 9.420 1035 H PHE 129 H PHE 129 5.113 -6.079 6.168 1036 HA PHE 129 HA PHE 129 4.152 -5.324 3.506 1037 HB2 PHE 129 HB2 PHE 129 6.977 -6.122 4.229 1038 HB3 PHE 129 HB3 PHE 129 6.375 -6.143 2.589 1039 HD1 PHE 129 HD2 PHE 129 7.392 -4.033 5.412 1040 HD2 PHE 129 HD1 PHE 129 6.138 -4.119 1.357 1041 HE1 PHE 129 HE2 PHE 129 8.131 -1.715 5.138 1042 HE2 PHE 129 HE1 PHE 129 6.886 -1.797 1.074 1043 HZ PHE 129 HZ PHE 129 7.892 -0.592 2.966 1044 H VAL 130 H VAL 130 6.393 -7.926 3.935 1045 HA VAL 130 HA VAL 130 4.211 -9.871 3.667 1046 HB VAL 130 HB VAL 130 6.042 -11.422 2.858 1047 HG11 VAL 130 HG11 VAL 130 5.507 -8.934 1.247 1048 HG12 VAL 130 HG12 VAL 130 4.517 -10.394 1.292 1049 HG13 VAL 130 HG13 VAL 130 6.139 -10.449 0.603 1050 HG21 VAL 130 HG21 VAL 130 8.110 -10.414 2.020 1051 HG22 VAL 130 HG22 VAL 130 7.964 -10.240 3.770 1052 HG23 VAL 130 HG23 VAL 130 7.633 -8.864 2.714 1053 H GLU 131 H GLU 131 5.968 -12.098 4.328 1054 HA GLU 131 HA GLU 131 5.776 -12.304 7.111 1055 HB2 GLU 131 HB2 GLU 131 7.226 -14.314 6.823 1056 HB3 GLU 131 HB3 GLU 131 5.856 -14.267 5.723 1057 HG2 GLU 131 HG2 GLU 131 7.323 -13.490 3.930 1058 HG3 GLU 131 HG3 GLU 131 8.697 -13.541 5.031 1059 H ALA 132 H ALA 132 8.529 -11.295 5.081 1060 HA ALA 132 HA ALA 132 9.814 -10.172 7.460 1061 HB1 ALA 132 HB1 ALA 132 10.847 -12.379 7.118 1062 HB2 ALA 132 HB2 ALA 132 11.996 -11.071 6.833 1063 HB3 ALA 132 HB3 ALA 132 11.267 -11.917 5.468 1064 HA PRO 133 HA PRO 133 10.140 -7.045 4.186 1065 HB2 PRO 133 HB2 PRO 133 10.378 -5.021 6.162 1066 HB3 PRO 133 HB3 PRO 133 8.970 -5.400 5.173 1067 HG2 PRO 133 HG2 PRO 133 9.195 -5.755 7.935 1068 HG3 PRO 133 HG3 PRO 133 7.936 -6.428 6.892 1069 HD2 PRO 133 HD2 PRO 133 10.329 -7.730 8.055 1070 HD3 PRO 133 HD3 PRO 133 8.765 -8.433 7.593 1071 H ALA 134 H ALA 134 11.937 -6.298 3.277 1072 HA ALA 134 HA ALA 134 14.489 -6.737 4.458 1073 HB1 ALA 134 HB1 ALA 134 15.387 -5.767 2.406 1074 HB2 ALA 134 HB2 ALA 134 13.778 -5.187 1.971 1075 HB3 ALA 134 HB3 ALA 134 14.098 -6.919 2.047 1076 H LEU 135 H LEU 135 12.750 -3.762 3.566 1077 HA LEU 135 HA LEU 135 12.634 -1.685 4.430 1078 HB2 LEU 135 HB2 LEU 135 13.864 -3.017 6.836 1079 HB3 LEU 135 HB3 LEU 135 13.287 -1.361 6.825 1080 HG LEU 135 HG LEU 135 11.555 -3.772 6.274 1081 HD11 LEU 135 HD11 LEU 135 12.376 -3.762 8.584 1082 HD12 LEU 135 HD12 LEU 135 10.648 -3.416 8.507 1083 HD13 LEU 135 HD13 LEU 135 11.799 -2.107 8.779 1084 HD21 LEU 135 HD21 LEU 135 10.770 -1.722 5.217 1085 HD22 LEU 135 HD22 LEU 135 10.889 -0.870 6.758 1086 HD23 LEU 135 HD23 LEU 135 9.720 -2.176 6.560 1087 H GLU 136 H GLU 136 14.116 -0.027 5.856 1088 HA GLU 136 HA GLU 136 16.800 -0.069 4.657 1089 HB2 GLU 136 HB2 GLU 136 14.797 1.842 4.294 1090 HB3 GLU 136 HB3 GLU 136 15.862 2.562 5.493 1091 HG2 GLU 136 HG2 GLU 136 16.820 1.444 2.872 1092 HG3 GLU 136 HG3 GLU 136 16.373 3.129 3.109 1093 H HIS 137 H HIS 137 18.493 0.750 6.021 1094 HA HIS 137 HA HIS 137 17.943 -0.067 8.761 1095 HB2 HIS 137 HB2 HIS 137 20.370 -0.330 9.007 1096 HB3 HIS 137 HB3 HIS 137 19.760 -1.233 7.634 1097 HD1 HIS 137 HD1 HIS 137 20.543 -0.470 5.276 1098 HD2 HIS 137 HD2 HIS 137 22.197 1.702 8.410 1099 HE1 HIS 137 HE1 HIS 137 22.473 0.793 4.278 1100 HE2 HIS 137 HE2 HIS 137 23.602 1.889 6.243 1101 H HIS 138 H HIS 138 18.726 1.016 10.581 1102 HA HIS 138 HA HIS 138 18.369 3.852 10.464 1103 HB2 HIS 138 HB2 HIS 138 18.543 3.817 12.894 1104 HB3 HIS 138 HB3 HIS 138 17.486 2.528 12.353 1105 HD1 HIS 138 HD1 HIS 138 19.780 3.096 14.873 1106 HD2 HIS 138 HD2 HIS 138 19.334 -0.012 12.148 1107 HE1 HIS 138 HE1 HIS 138 20.975 1.130 15.886 1108 HE2 HIS 138 HE2 HIS 138 20.836 -0.679 14.149 1109 H HIS 139 H HIS 139 19.810 5.451 11.191 1110 HA HIS 139 HA HIS 139 21.699 6.653 11.107 1111 HB2 HIS 139 HB2 HIS 139 22.372 5.142 12.998 1112 HB3 HIS 139 HB3 HIS 139 23.202 4.120 11.834 1113 HD1 HIS 139 HD1 HIS 139 25.600 4.477 12.430 1114 HD2 HIS 139 HD2 HIS 139 23.510 8.058 12.114 1115 HE1 HIS 139 HE1 HIS 139 27.331 6.286 12.649 1116 HE2 HIS 139 HE2 HIS 139 26.063 8.445 12.368 1117 H HIS 140 H HIS 140 21.340 6.994 8.967 1118 HA HIS 140 HA HIS 140 23.431 6.499 7.151 1119 HB2 HIS 140 HB2 HIS 140 22.432 4.238 6.935 1120 HB3 HIS 140 HB3 HIS 140 20.862 4.955 6.600 1121 HD1 HIS 140 HD1 HIS 140 24.353 4.941 5.029 1122 HD2 HIS 140 HD2 HIS 140 20.340 5.154 3.951 1123 HE1 HIS 140 HE1 HIS 140 24.324 4.950 2.511 1124 HE2 HIS 140 HE2 HIS 140 21.883 4.896 1.891 1125 H HIS 141 H HIS 141 20.044 7.274 7.663 1126 HA HIS 141 HA HIS 141 20.127 9.081 5.355 1127 HB2 HIS 141 HB2 HIS 141 17.583 8.721 5.285 1128 HB3 HIS 141 HB3 HIS 141 18.601 7.411 4.731 1129 HD1 HIS 141 HD1 HIS 141 15.907 8.193 7.105 1130 HD2 HIS 141 HD2 HIS 141 18.715 5.171 6.582 1131 HE1 HIS 141 HE1 HIS 141 15.086 6.253 8.485 1132 HE2 HIS 141 HE2 HIS 141 16.758 4.415 8.097 1133 H HIS 142 H HIS 142 20.530 11.001 6.094 1134 HA HIS 142 HA HIS 142 20.347 13.024 7.087 1135 HB2 HIS 142 HB2 HIS 142 17.491 12.159 7.599 1136 HB3 HIS 142 HB3 HIS 142 18.102 13.780 7.892 1137 HD1 HIS 142 HD1 HIS 142 18.085 15.379 5.946 1138 HD2 HIS 142 HD2 HIS 142 17.446 11.432 4.798 1139 HE1 HIS 142 HE1 HIS 142 17.447 15.474 3.512 1140 HE2 HIS 142 HE2 HIS 142 17.211 13.069 2.807 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.584 -7.253 11.354 2 H2 MET 1 H2 MET 1 1.544 -8.650 11.399 3 H3 MET 1 H3 MET 1 -0.145 -8.779 11.341 4 HA MET 1 HA MET 1 1.498 -7.554 9.222 5 HB2 MET 1 HB2 MET 1 1.076 -9.625 7.927 6 HB3 MET 1 HB3 MET 1 2.062 -9.904 9.353 7 HG2 MET 1 HG2 MET 1 0.095 -10.778 10.530 8 HG3 MET 1 HG3 MET 1 -0.875 -10.508 9.087 9 HE1 MET 1 HE1 MET 1 1.036 -11.419 6.716 10 HE2 MET 1 HE2 MET 1 -0.656 -11.893 6.864 11 HE3 MET 1 HE3 MET 1 0.575 -13.119 6.575 12 H LEU 2 H LEU 2 0.410 -6.605 7.652 13 HA LEU 2 HA LEU 2 -1.136 -6.028 6.121 14 HB2 LEU 2 HB2 LEU 2 -2.923 -8.172 7.253 15 HB3 LEU 2 HB3 LEU 2 -3.106 -7.367 5.711 16 HG LEU 2 HG LEU 2 -0.825 -9.207 6.447 17 HD11 LEU 2 HD11 LEU 2 -2.956 -10.376 6.273 18 HD12 LEU 2 HD12 LEU 2 -1.888 -10.785 4.932 19 HD13 LEU 2 HD13 LEU 2 -3.224 -9.662 4.683 20 HD21 LEU 2 HD21 LEU 2 -1.570 -7.970 3.797 21 HD22 LEU 2 HD22 LEU 2 -0.266 -9.122 4.079 22 HD23 LEU 2 HD23 LEU 2 -0.190 -7.514 4.796 23 H LYS 3 H LYS 3 -3.115 -6.832 8.980 24 HA LYS 3 HA LYS 3 -4.954 -4.687 8.256 25 HB2 LYS 3 HB2 LYS 3 -5.257 -6.984 10.199 26 HB3 LYS 3 HB3 LYS 3 -6.528 -5.855 9.755 27 HG2 LYS 3 HG2 LYS 3 -6.374 -6.663 7.419 28 HG3 LYS 3 HG3 LYS 3 -5.172 -7.844 7.940 29 HD2 LYS 3 HD2 LYS 3 -7.349 -8.891 7.785 30 HD3 LYS 3 HD3 LYS 3 -6.832 -8.825 9.470 31 HE2 LYS 3 HE2 LYS 3 -8.252 -6.911 9.870 32 HE3 LYS 3 HE3 LYS 3 -8.705 -6.852 8.168 33 HZ1 LYS 3 HZ1 LYS 3 -10.355 -7.910 9.675 34 HZ2 LYS 3 HZ2 LYS 3 -9.259 -9.178 9.917 35 HZ3 LYS 3 HZ3 LYS 3 -9.877 -8.874 8.370 36 H THR 4 H THR 4 -2.402 -4.252 9.691 37 HA THR 4 HA THR 4 -3.531 -2.942 12.096 38 HB THR 4 HB THR 4 -0.579 -3.471 11.789 39 HG1 THR 4 HG1 THR 4 -0.847 -5.528 12.183 40 HG21 THR 4 HG21 THR 4 -0.647 -3.493 14.250 41 HG22 THR 4 HG22 THR 4 -2.392 -3.235 14.198 42 HG23 THR 4 HG23 THR 4 -1.297 -1.987 13.600 43 H ILE 5 H ILE 5 -2.470 -2.518 9.018 44 HA ILE 5 HA ILE 5 -1.557 0.222 9.501 45 HB ILE 5 HB ILE 5 -0.653 -1.884 7.601 46 HG12 ILE 5 HG12 ILE 5 0.643 -1.381 9.599 47 HG13 ILE 5 HG13 ILE 5 1.555 -0.997 8.145 48 HG21 ILE 5 HG21 ILE 5 -1.328 -0.225 6.021 49 HG22 ILE 5 HG22 ILE 5 0.432 -0.271 6.117 50 HG23 ILE 5 HG23 ILE 5 -0.461 1.030 6.908 51 HD11 ILE 5 HD11 ILE 5 1.049 1.373 8.452 52 HD12 ILE 5 HD12 ILE 5 1.867 0.694 9.861 53 HD13 ILE 5 HD13 ILE 5 0.127 0.985 9.905 54 H LEU 6 H LEU 6 -2.731 1.787 8.749 55 HA LEU 6 HA LEU 6 -4.936 1.223 6.882 56 HB2 LEU 6 HB2 LEU 6 -4.671 3.482 8.871 57 HB3 LEU 6 HB3 LEU 6 -6.075 3.117 7.888 58 HG LEU 6 HG LEU 6 -5.049 1.196 9.966 59 HD11 LEU 6 HD11 LEU 6 -6.668 2.136 11.501 60 HD12 LEU 6 HD12 LEU 6 -7.127 3.351 10.309 61 HD13 LEU 6 HD13 LEU 6 -5.509 3.373 11.012 62 HD21 LEU 6 HD21 LEU 6 -7.747 1.583 8.669 63 HD22 LEU 6 HD22 LEU 6 -7.339 0.358 9.870 64 HD23 LEU 6 HD23 LEU 6 -6.589 0.314 8.274 65 H SER 7 H SER 7 -4.939 2.305 5.007 66 HA SER 7 HA SER 7 -2.920 4.326 4.469 67 HB2 SER 7 HB2 SER 7 -5.059 3.138 2.671 68 HB3 SER 7 HB3 SER 7 -3.693 4.130 2.155 69 HG SER 7 HG SER 7 -2.548 2.272 3.457 70 H ILE 8 H ILE 8 -3.321 6.427 4.400 71 HA ILE 8 HA ILE 8 -6.046 7.293 5.117 72 HB ILE 8 HB ILE 8 -3.408 8.216 6.289 73 HG12 ILE 8 HG12 ILE 8 -4.096 6.015 7.089 74 HG13 ILE 8 HG13 ILE 8 -4.210 7.208 8.374 75 HG21 ILE 8 HG21 ILE 8 -4.946 10.100 6.187 76 HG22 ILE 8 HG22 ILE 8 -4.718 9.577 7.856 77 HG23 ILE 8 HG23 ILE 8 -6.194 9.147 6.992 78 HD11 ILE 8 HD11 ILE 8 -6.634 7.295 8.080 79 HD12 ILE 8 HD12 ILE 8 -6.084 5.654 8.419 80 HD13 ILE 8 HD13 ILE 8 -6.517 6.116 6.773 81 H ALA 9 H ALA 9 -6.810 9.068 4.136 82 HA ALA 9 HA ALA 9 -5.052 10.419 2.191 83 HB1 ALA 9 HB1 ALA 9 -8.020 9.923 1.998 84 HB2 ALA 9 HB2 ALA 9 -6.766 9.041 1.127 85 HB3 ALA 9 HB3 ALA 9 -7.032 10.754 0.797 86 H GLY 10 H GLY 10 -5.525 11.106 5.002 87 HA2 GLY 10 HA2 GLY 10 -7.044 13.596 4.866 88 HA3 GLY 10 HA3 GLY 10 -6.365 12.867 6.316 89 H LYS 11 H LYS 11 -4.450 13.591 7.060 90 HA LYS 11 HA LYS 11 -2.997 15.449 5.324 91 HB2 LYS 11 HB2 LYS 11 -3.254 15.486 8.321 92 HB3 LYS 11 HB3 LYS 11 -2.083 16.467 7.443 93 HG2 LYS 11 HG2 LYS 11 -3.965 17.437 6.146 94 HG3 LYS 11 HG3 LYS 11 -5.079 16.552 7.186 95 HD2 LYS 11 HD2 LYS 11 -4.139 17.737 9.137 96 HD3 LYS 11 HD3 LYS 11 -3.109 18.663 8.040 97 HE2 LYS 11 HE2 LYS 11 -5.085 19.550 6.916 98 HE3 LYS 11 HE3 LYS 11 -6.126 18.612 7.984 99 HZ1 LYS 11 HZ1 LYS 11 -5.983 20.875 8.733 100 HZ2 LYS 11 HZ2 LYS 11 -4.291 20.800 8.793 101 HZ3 LYS 11 HZ3 LYS 11 -5.218 19.864 9.860 102 HA PRO 12 HA PRO 12 0.516 12.619 6.926 103 HB2 PRO 12 HB2 PRO 12 -0.641 10.259 8.186 104 HB3 PRO 12 HB3 PRO 12 0.561 11.378 8.826 105 HG2 PRO 12 HG2 PRO 12 -1.944 11.204 9.815 106 HG3 PRO 12 HG3 PRO 12 -0.998 12.702 9.823 107 HD2 PRO 12 HD2 PRO 12 -3.165 11.845 7.937 108 HD3 PRO 12 HD3 PRO 12 -2.906 13.423 8.716 109 H GLY 13 H GLY 13 -0.024 9.513 6.926 110 HA2 GLY 13 HA2 GLY 13 -0.883 9.244 4.153 111 HA3 GLY 13 HA3 GLY 13 0.777 8.799 4.524 112 H LEU 14 H LEU 14 0.394 7.682 7.041 113 HA LEU 14 HA LEU 14 -1.557 5.533 6.663 114 HB2 LEU 14 HB2 LEU 14 1.339 5.134 7.456 115 HB3 LEU 14 HB3 LEU 14 0.107 3.894 7.510 116 HG LEU 14 HG LEU 14 0.895 5.252 4.933 117 HD11 LEU 14 HD11 LEU 14 2.322 3.308 4.506 118 HD12 LEU 14 HD12 LEU 14 2.020 2.736 6.147 119 HD13 LEU 14 HD13 LEU 14 2.886 4.249 5.886 120 HD21 LEU 14 HD21 LEU 14 -0.396 2.591 5.515 121 HD22 LEU 14 HD22 LEU 14 -0.036 3.250 3.918 122 HD23 LEU 14 HD23 LEU 14 -1.236 4.034 4.948 123 H TYR 15 H TYR 15 -2.279 4.571 8.617 124 HA TYR 15 HA TYR 15 -1.250 5.686 11.139 125 HB2 TYR 15 HB2 TYR 15 -4.107 5.439 10.269 126 HB3 TYR 15 HB3 TYR 15 -3.709 5.231 11.970 127 HD1 TYR 15 HD1 TYR 15 -1.879 7.258 12.672 128 HD2 TYR 15 HD2 TYR 15 -5.031 7.486 9.838 129 HE1 TYR 15 HE1 TYR 15 -2.023 9.684 13.035 130 HE2 TYR 15 HE2 TYR 15 -5.182 9.917 10.181 131 HH TYR 15 HH TYR 15 -2.799 11.684 11.910 132 H LYS 16 H LYS 16 -0.985 4.216 12.782 133 HA LYS 16 HA LYS 16 -1.406 1.404 12.122 134 HB2 LYS 16 HB2 LYS 16 0.194 2.825 14.229 135 HB3 LYS 16 HB3 LYS 16 -0.191 1.118 14.405 136 HG2 LYS 16 HG2 LYS 16 0.973 0.583 12.387 137 HG3 LYS 16 HG3 LYS 16 1.213 2.288 12.013 138 HD2 LYS 16 HD2 LYS 16 2.368 0.848 14.404 139 HD3 LYS 16 HD3 LYS 16 3.242 1.204 12.915 140 HE2 LYS 16 HE2 LYS 16 2.945 3.596 13.301 141 HE3 LYS 16 HE3 LYS 16 2.031 3.255 14.769 142 HZ1 LYS 16 HZ1 LYS 16 4.045 2.134 15.634 143 HZ2 LYS 16 HZ2 LYS 16 4.248 3.794 15.379 144 HZ3 LYS 16 HZ3 LYS 16 4.899 2.681 14.279 145 H LEU 17 H LEU 17 -3.273 0.563 12.614 146 HA LEU 17 HA LEU 17 -5.070 1.779 14.471 147 HB2 LEU 17 HB2 LEU 17 -5.693 0.554 12.348 148 HB3 LEU 17 HB3 LEU 17 -5.307 -0.937 13.184 149 HG LEU 17 HG LEU 17 -7.068 -0.370 14.878 150 HD11 LEU 17 HD11 LEU 17 -7.757 1.774 12.876 151 HD12 LEU 17 HD12 LEU 17 -7.129 2.047 14.505 152 HD13 LEU 17 HD13 LEU 17 -8.723 1.320 14.283 153 HD21 LEU 17 HD21 LEU 17 -7.960 -0.552 12.014 154 HD22 LEU 17 HD22 LEU 17 -8.942 -0.917 13.432 155 HD23 LEU 17 HD23 LEU 17 -7.528 -1.909 13.058 156 H ILE 18 H ILE 18 -4.760 1.635 16.550 157 HA ILE 18 HA ILE 18 -3.515 -0.674 17.791 158 HB ILE 18 HB ILE 18 -4.672 1.810 19.108 159 HG12 ILE 18 HG12 ILE 18 -1.763 1.309 18.428 160 HG13 ILE 18 HG13 ILE 18 -2.839 2.223 17.379 161 HG21 ILE 18 HG21 ILE 18 -4.352 -0.068 20.641 162 HG22 ILE 18 HG22 ILE 18 -3.199 1.221 20.983 163 HG23 ILE 18 HG23 ILE 18 -2.675 -0.223 20.119 164 HD11 ILE 18 HD11 ILE 18 -2.092 2.945 20.207 165 HD12 ILE 18 HD12 ILE 18 -3.174 3.864 19.159 166 HD13 ILE 18 HD13 ILE 18 -1.471 3.694 18.735 167 H SER 19 H SER 19 -6.622 1.014 17.771 168 HA SER 19 HA SER 19 -8.069 -1.403 18.284 169 HB2 SER 19 HB2 SER 19 -9.256 -0.427 20.306 170 HB3 SER 19 HB3 SER 19 -7.590 -0.924 20.589 171 HG SER 19 HG SER 19 -6.958 1.209 20.522 172 H GLN 20 H GLN 20 -10.298 -1.177 17.832 173 HA GLN 20 HA GLN 20 -11.087 1.434 16.729 174 HB2 GLN 20 HB2 GLN 20 -12.403 -1.261 16.352 175 HB3 GLN 20 HB3 GLN 20 -12.946 0.251 15.640 176 HG2 GLN 20 HG2 GLN 20 -10.785 0.380 14.424 177 HG3 GLN 20 HG3 GLN 20 -10.393 -1.221 15.050 178 HE21 GLN 20 HE21 GLN 20 -10.729 -0.359 12.298 179 HE22 GLN 20 HE22 GLN 20 -11.991 -1.330 11.633 180 H GLY 21 H GLY 21 -12.542 2.612 17.770 181 HA2 GLY 21 HA2 GLY 21 -14.028 1.335 19.977 182 HA3 GLY 21 HA3 GLY 21 -13.484 3.010 19.993 183 H LYS 22 H LYS 22 -15.682 3.544 20.448 184 HA LYS 22 HA LYS 22 -17.499 3.351 18.155 185 HB2 LYS 22 HB2 LYS 22 -18.076 4.354 20.959 186 HB3 LYS 22 HB3 LYS 22 -19.259 4.173 19.673 187 HG2 LYS 22 HG2 LYS 22 -19.667 2.256 20.811 188 HG3 LYS 22 HG3 LYS 22 -18.401 1.666 19.736 189 HD2 LYS 22 HD2 LYS 22 -16.764 2.269 21.595 190 HD3 LYS 22 HD3 LYS 22 -18.179 2.457 22.629 191 HE2 LYS 22 HE2 LYS 22 -17.405 -0.049 21.143 192 HE3 LYS 22 HE3 LYS 22 -17.162 0.246 22.863 193 HZ1 LYS 22 HZ1 LYS 22 -19.751 -0.011 21.438 194 HZ2 LYS 22 HZ2 LYS 22 -19.609 0.490 23.051 195 HZ3 LYS 22 HZ3 LYS 22 -19.105 -1.064 22.601 196 H ASN 23 H ASN 23 -17.770 4.997 16.855 197 HA ASN 23 HA ASN 23 -17.789 7.074 15.904 198 HB2 ASN 23 HB2 ASN 23 -18.461 8.055 18.129 199 HB3 ASN 23 HB3 ASN 23 -16.766 8.267 18.496 200 HD21 ASN 23 HD21 ASN 23 -16.908 10.458 18.688 201 HD22 ASN 23 HD22 ASN 23 -17.149 11.514 17.337 202 H MET 24 H MET 24 -15.002 6.080 17.758 203 HA MET 24 HA MET 24 -13.247 7.486 15.878 204 HB2 MET 24 HB2 MET 24 -11.821 8.110 17.800 205 HB3 MET 24 HB3 MET 24 -13.431 8.812 17.899 206 HG2 MET 24 HG2 MET 24 -13.990 6.784 19.369 207 HG3 MET 24 HG3 MET 24 -12.249 6.583 19.511 208 HE1 MET 24 HE1 MET 24 -10.644 8.450 20.450 209 HE2 MET 24 HE2 MET 24 -11.202 10.006 21.076 210 HE3 MET 24 HE3 MET 24 -11.354 9.636 19.357 211 H LEU 25 H LEU 25 -11.218 6.616 15.558 212 HA LEU 25 HA LEU 25 -10.768 3.889 16.576 213 HB2 LEU 25 HB2 LEU 25 -9.346 5.161 14.227 214 HB3 LEU 25 HB3 LEU 25 -9.273 3.484 14.719 215 HG LEU 25 HG LEU 25 -10.537 3.394 12.804 216 HD11 LEU 25 HD11 LEU 25 -11.720 2.220 14.530 217 HD12 LEU 25 HD12 LEU 25 -12.852 2.936 13.381 218 HD13 LEU 25 HD13 LEU 25 -12.599 3.689 14.957 219 HD21 LEU 25 HD21 LEU 25 -10.772 5.736 12.363 220 HD22 LEU 25 HD22 LEU 25 -11.975 5.894 13.642 221 HD23 LEU 25 HD23 LEU 25 -12.342 4.947 12.199 222 H ILE 26 H ILE 26 -8.915 3.536 17.722 223 HA ILE 26 HA ILE 26 -7.356 5.913 18.421 224 HB ILE 26 HB ILE 26 -7.353 3.164 19.690 225 HG12 ILE 26 HG12 ILE 26 -9.444 4.329 20.113 226 HG13 ILE 26 HG13 ILE 26 -8.488 4.280 21.587 227 HG21 ILE 26 HG21 ILE 26 -5.941 5.674 20.582 228 HG22 ILE 26 HG22 ILE 26 -5.182 4.207 19.961 229 HG23 ILE 26 HG23 ILE 26 -6.039 4.171 21.501 230 HD11 ILE 26 HD11 ILE 26 -7.829 6.617 21.226 231 HD12 ILE 26 HD12 ILE 26 -9.580 6.432 21.324 232 HD13 ILE 26 HD13 ILE 26 -8.804 6.654 19.757 233 H VAL 27 H VAL 27 -5.686 6.317 17.167 234 HA VAL 27 HA VAL 27 -4.098 4.075 16.127 235 HB VAL 27 HB VAL 27 -3.797 5.359 13.982 236 HG11 VAL 27 HG11 VAL 27 -5.252 3.433 14.054 237 HG12 VAL 27 HG12 VAL 27 -5.941 4.674 13.006 238 HG13 VAL 27 HG13 VAL 27 -6.586 4.433 14.630 239 HG21 VAL 27 HG21 VAL 27 -5.473 7.015 13.362 240 HG22 VAL 27 HG22 VAL 27 -4.542 7.551 14.761 241 HG23 VAL 27 HG23 VAL 27 -6.175 6.920 14.979 242 H GLU 28 H GLU 28 -1.961 4.623 15.450 243 HA GLU 28 HA GLU 28 -0.918 7.147 16.551 244 HB2 GLU 28 HB2 GLU 28 -0.106 4.989 17.647 245 HB3 GLU 28 HB3 GLU 28 0.673 4.614 16.116 246 HG2 GLU 28 HG2 GLU 28 1.783 6.926 16.393 247 HG3 GLU 28 HG3 GLU 28 1.310 6.760 18.083 248 H THR 29 H THR 29 0.312 8.384 15.194 249 HA THR 29 HA THR 29 -0.117 8.082 12.426 250 HB THR 29 HB THR 29 1.904 9.945 13.672 251 HG1 THR 29 HG1 THR 29 -0.367 9.896 14.569 252 HG21 THR 29 HG21 THR 29 1.876 9.835 11.208 253 HG22 THR 29 HG22 THR 29 1.309 11.397 11.800 254 HG23 THR 29 HG23 THR 29 0.148 10.201 11.223 255 H VAL 30 H VAL 30 0.943 7.003 10.962 256 HA VAL 30 HA VAL 30 3.619 6.021 11.491 257 HB VAL 30 HB VAL 30 1.927 5.681 9.004 258 HG11 VAL 30 HG11 VAL 30 4.276 5.314 8.620 259 HG12 VAL 30 HG12 VAL 30 3.398 3.786 8.573 260 HG13 VAL 30 HG13 VAL 30 4.350 4.213 9.996 261 HG21 VAL 30 HG21 VAL 30 2.256 3.851 11.371 262 HG22 VAL 30 HG22 VAL 30 1.410 3.455 9.874 263 HG23 VAL 30 HG23 VAL 30 0.795 4.732 10.924 264 H ASP 31 H ASP 31 5.102 7.478 11.348 265 HA ASP 31 HA ASP 31 5.640 9.195 9.165 266 HB2 ASP 31 HB2 ASP 31 3.505 10.192 10.209 267 HB3 ASP 31 HB3 ASP 31 4.461 10.527 11.639 268 H ALA 32 H ALA 32 7.156 11.132 10.435 269 HA ALA 32 HA ALA 32 9.085 9.660 12.013 270 HB1 ALA 32 HB1 ALA 32 9.844 11.306 10.370 271 HB2 ALA 32 HB2 ALA 32 10.372 11.735 11.997 272 HB3 ALA 32 HB3 ALA 32 9.012 12.582 11.262 273 H ALA 33 H ALA 33 6.474 11.947 12.519 274 HA ALA 33 HA ALA 33 7.166 12.757 15.159 275 HB1 ALA 33 HB1 ALA 33 5.697 14.079 13.704 276 HB2 ALA 33 HB2 ALA 33 4.930 13.708 15.247 277 HB3 ALA 33 HB3 ALA 33 4.471 12.813 13.800 278 H LYS 34 H LYS 34 4.932 10.356 13.864 279 HA LYS 34 HA LYS 34 3.743 8.625 14.752 280 HB2 LYS 34 HB2 LYS 34 6.141 8.533 16.589 281 HB3 LYS 34 HB3 LYS 34 4.914 7.276 16.511 282 HG2 LYS 34 HG2 LYS 34 5.492 6.772 14.237 283 HG3 LYS 34 HG3 LYS 34 6.589 8.151 14.165 284 HD2 LYS 34 HD2 LYS 34 6.931 5.826 16.057 285 HD3 LYS 34 HD3 LYS 34 7.719 5.939 14.481 286 HE2 LYS 34 HE2 LYS 34 8.839 7.997 15.183 287 HE3 LYS 34 HE3 LYS 34 8.028 7.916 16.745 288 HZ1 LYS 34 HZ1 LYS 34 9.171 5.836 17.193 289 HZ2 LYS 34 HZ2 LYS 34 10.284 7.074 16.872 290 HZ3 LYS 34 HZ3 LYS 34 9.945 5.910 15.684 291 H LYS 35 H LYS 35 2.425 10.723 15.469 292 HA LYS 35 HA LYS 35 2.238 10.911 18.366 293 HB2 LYS 35 HB2 LYS 35 0.713 12.831 17.916 294 HB3 LYS 35 HB3 LYS 35 2.315 13.019 17.231 295 HG2 LYS 35 HG2 LYS 35 1.503 12.503 15.033 296 HG3 LYS 35 HG3 LYS 35 -0.098 12.137 15.673 297 HD2 LYS 35 HD2 LYS 35 1.258 14.831 15.786 298 HD3 LYS 35 HD3 LYS 35 0.014 14.363 14.624 299 HE2 LYS 35 HE2 LYS 35 -1.537 13.962 16.511 300 HE3 LYS 35 HE3 LYS 35 -0.293 14.526 17.623 301 HZ1 LYS 35 HZ1 LYS 35 -1.683 16.345 17.249 302 HZ2 LYS 35 HZ2 LYS 35 -1.760 16.077 15.579 303 HZ3 LYS 35 HZ3 LYS 35 -0.326 16.650 16.279 304 H ARG 36 H ARG 36 0.262 10.720 19.506 305 HA ARG 36 HA ARG 36 -1.433 8.615 18.479 306 HB2 ARG 36 HB2 ARG 36 -2.397 8.653 20.792 307 HB3 ARG 36 HB3 ARG 36 -0.675 8.330 20.717 308 HG2 ARG 36 HG2 ARG 36 -0.339 10.798 21.235 309 HG3 ARG 36 HG3 ARG 36 -2.061 10.839 21.620 310 HD2 ARG 36 HD2 ARG 36 -0.973 10.481 23.668 311 HD3 ARG 36 HD3 ARG 36 -1.602 8.905 23.192 312 HE ARG 36 HE ARG 36 1.058 9.225 22.264 313 HH11 ARG 36 HH11 ARG 36 -0.778 8.519 25.173 314 HH12 ARG 36 HH12 ARG 36 0.570 7.793 25.993 315 HH21 ARG 36 HH21 ARG 36 2.817 8.266 23.339 316 HH22 ARG 36 HH22 ARG 36 2.611 7.640 24.944 317 H VAL 37 H VAL 37 -3.133 9.058 17.271 318 HA VAL 37 HA VAL 37 -4.473 11.658 17.661 319 HB VAL 37 HB VAL 37 -4.277 10.250 14.983 320 HG11 VAL 37 HG11 VAL 37 -4.867 12.405 14.058 321 HG12 VAL 37 HG12 VAL 37 -4.865 13.121 15.668 322 HG13 VAL 37 HG13 VAL 37 -6.077 11.908 15.244 323 HG21 VAL 37 HG21 VAL 37 -2.011 10.806 15.693 324 HG22 VAL 37 HG22 VAL 37 -2.511 12.472 15.987 325 HG23 VAL 37 HG23 VAL 37 -2.532 11.820 14.348 326 HA PRO 38 HA PRO 38 -8.260 9.144 17.876 327 HB2 PRO 38 HB2 PRO 38 -9.540 11.797 17.822 328 HB3 PRO 38 HB3 PRO 38 -9.683 10.508 19.019 329 HG2 PRO 38 HG2 PRO 38 -8.359 12.766 19.569 330 HG3 PRO 38 HG3 PRO 38 -7.807 11.198 20.187 331 HD2 PRO 38 HD2 PRO 38 -6.788 12.773 17.849 332 HD3 PRO 38 HD3 PRO 38 -5.876 11.913 19.111 333 H ALA 39 H ALA 39 -8.749 8.263 15.957 334 HA ALA 39 HA ALA 39 -8.996 9.952 13.578 335 HB1 ALA 39 HB1 ALA 39 -8.904 7.868 12.310 336 HB2 ALA 39 HB2 ALA 39 -8.874 6.954 13.819 337 HB3 ALA 39 HB3 ALA 39 -7.523 8.007 13.401 338 H TYR 40 H TYR 40 -10.830 9.797 12.220 339 HA TYR 40 HA TYR 40 -13.174 8.490 13.433 340 HB2 TYR 40 HB2 TYR 40 -13.193 11.248 12.149 341 HB3 TYR 40 HB3 TYR 40 -14.591 10.400 12.801 342 HD1 TYR 40 HD1 TYR 40 -14.772 10.029 15.268 343 HD2 TYR 40 HD2 TYR 40 -11.723 12.465 13.575 344 HE1 TYR 40 HE1 TYR 40 -14.319 10.999 17.483 345 HE2 TYR 40 HE2 TYR 40 -11.264 13.441 15.781 346 HH TYR 40 HH TYR 40 -12.332 13.773 17.911 347 H ALA 41 H ALA 41 -15.032 8.550 11.648 348 HA ALA 41 HA ALA 41 -13.882 7.161 9.378 349 HB1 ALA 41 HB1 ALA 41 -15.783 6.203 10.560 350 HB2 ALA 41 HB2 ALA 41 -16.174 6.516 8.868 351 HB3 ALA 41 HB3 ALA 41 -16.766 7.602 10.126 352 H HIS 42 H HIS 42 -13.865 10.217 9.731 353 HA HIS 42 HA HIS 42 -14.868 10.871 7.042 354 HB2 HIS 42 HB2 HIS 42 -15.871 12.101 9.066 355 HB3 HIS 42 HB3 HIS 42 -14.303 12.880 9.234 356 HD1 HIS 42 HD1 HIS 42 -17.207 12.637 6.828 357 HD2 HIS 42 HD2 HIS 42 -13.903 15.044 7.580 358 HE1 HIS 42 HE1 HIS 42 -17.458 14.622 5.306 359 HE2 HIS 42 HE2 HIS 42 -15.357 15.966 5.647 360 H ASP 43 H ASP 43 -12.122 10.152 8.761 361 HA ASP 43 HA ASP 43 -10.355 12.111 7.520 362 HB2 ASP 43 HB2 ASP 43 -9.872 9.890 9.500 363 HB3 ASP 43 HB3 ASP 43 -8.569 10.859 8.811 364 H LYS 44 H LYS 44 -11.795 9.619 6.269 365 HA LYS 44 HA LYS 44 -11.526 8.119 4.648 366 HB2 LYS 44 HB2 LYS 44 -9.303 10.005 3.984 367 HB3 LYS 44 HB3 LYS 44 -9.440 8.494 3.099 368 HG2 LYS 44 HG2 LYS 44 -10.556 10.111 1.811 369 HG3 LYS 44 HG3 LYS 44 -11.818 9.154 2.578 370 HD2 LYS 44 HD2 LYS 44 -11.974 10.945 4.330 371 HD3 LYS 44 HD3 LYS 44 -10.872 11.910 3.346 372 HE2 LYS 44 HE2 LYS 44 -13.556 10.857 2.459 373 HE3 LYS 44 HE3 LYS 44 -13.224 12.511 2.973 374 HZ1 LYS 44 HZ1 LYS 44 -13.233 12.342 0.572 375 HZ2 LYS 44 HZ2 LYS 44 -12.030 11.150 0.612 376 HZ3 LYS 44 HZ3 LYS 44 -11.677 12.729 1.119 377 H VAL 45 H VAL 45 -11.268 6.706 6.428 378 HA VAL 45 HA VAL 45 -8.574 5.636 6.804 379 HB VAL 45 HB VAL 45 -11.095 5.098 8.406 380 HG11 VAL 45 HG11 VAL 45 -9.622 4.039 10.037 381 HG12 VAL 45 HG12 VAL 45 -8.241 4.304 8.973 382 HG13 VAL 45 HG13 VAL 45 -9.539 3.218 8.479 383 HG21 VAL 45 HG21 VAL 45 -10.308 7.391 8.686 384 HG22 VAL 45 HG22 VAL 45 -8.698 6.797 9.091 385 HG23 VAL 45 HG23 VAL 45 -10.059 6.450 10.157 386 H ILE 46 H ILE 46 -8.144 4.277 5.268 387 HA ILE 46 HA ILE 46 -9.991 2.043 4.713 388 HB ILE 46 HB ILE 46 -7.986 3.426 2.897 389 HG12 ILE 46 HG12 ILE 46 -10.110 4.600 3.038 390 HG13 ILE 46 HG13 ILE 46 -9.919 3.886 1.444 391 HG21 ILE 46 HG21 ILE 46 -9.544 0.930 2.270 392 HG22 ILE 46 HG22 ILE 46 -7.793 1.067 2.451 393 HG23 ILE 46 HG23 ILE 46 -8.608 1.870 1.107 394 HD11 ILE 46 HD11 ILE 46 -11.623 2.787 3.674 395 HD12 ILE 46 HD12 ILE 46 -11.441 2.078 2.069 396 HD13 ILE 46 HD13 ILE 46 -12.202 3.659 2.254 397 H SER 47 H SER 47 -8.969 -0.069 4.811 398 HA SER 47 HA SER 47 -6.432 -0.114 6.226 399 HB2 SER 47 HB2 SER 47 -8.309 -1.696 6.758 400 HB3 SER 47 HB3 SER 47 -8.060 -2.461 5.188 401 HG SER 47 HG SER 47 -6.530 -2.574 7.510 402 H LEU 48 H LEU 48 -4.438 -0.826 5.346 403 HA LEU 48 HA LEU 48 -4.129 -0.799 2.490 404 HB2 LEU 48 HB2 LEU 48 -2.362 -0.022 4.058 405 HB3 LEU 48 HB3 LEU 48 -2.143 -1.675 4.594 406 HG LEU 48 HG LEU 48 -1.438 -2.296 2.288 407 HD11 LEU 48 HD11 LEU 48 -0.856 -0.540 0.704 408 HD12 LEU 48 HD12 LEU 48 -1.526 0.673 1.794 409 HD13 LEU 48 HD13 LEU 48 -2.583 -0.533 1.060 410 HD21 LEU 48 HD21 LEU 48 0.227 -1.788 3.978 411 HD22 LEU 48 HD22 LEU 48 0.138 -0.075 3.568 412 HD23 LEU 48 HD23 LEU 48 0.759 -1.232 2.391 413 H ALA 49 H ALA 49 -4.761 -3.215 4.866 414 HA ALA 49 HA ALA 49 -4.056 -5.546 3.446 415 HB1 ALA 49 HB1 ALA 49 -4.553 -5.559 5.820 416 HB2 ALA 49 HB2 ALA 49 -5.593 -6.690 4.951 417 HB3 ALA 49 HB3 ALA 49 -6.230 -5.132 5.477 418 H ASP 50 H ASP 50 -6.781 -3.388 3.361 419 HA ASP 50 HA ASP 50 -8.606 -5.007 1.898 420 HB2 ASP 50 HB2 ASP 50 -9.553 -3.332 3.258 421 HB3 ASP 50 HB3 ASP 50 -8.465 -2.095 2.650 422 H ILE 51 H ILE 51 -6.109 -2.681 0.998 423 HA ILE 51 HA ILE 51 -6.881 -2.368 -1.727 424 HB ILE 51 HB ILE 51 -4.027 -2.151 -0.752 425 HG12 ILE 51 HG12 ILE 51 -5.369 -0.764 0.771 426 HG13 ILE 51 HG13 ILE 51 -4.382 0.233 -0.294 427 HG21 ILE 51 HG21 ILE 51 -5.500 -0.757 -2.986 428 HG22 ILE 51 HG22 ILE 51 -4.336 -2.071 -3.159 429 HG23 ILE 51 HG23 ILE 51 -3.810 -0.501 -2.551 430 HD11 ILE 51 HD11 ILE 51 -6.598 1.183 0.016 431 HD12 ILE 51 HD12 ILE 51 -7.333 -0.294 -0.610 432 HD13 ILE 51 HD13 ILE 51 -6.341 0.712 -1.664 433 H ALA 52 H ALA 52 -6.820 -3.866 -3.274 434 HA ALA 52 HA ALA 52 -4.669 -5.851 -3.262 435 HB1 ALA 52 HB1 ALA 52 -6.237 -7.629 -3.844 436 HB2 ALA 52 HB2 ALA 52 -7.586 -6.502 -3.709 437 HB3 ALA 52 HB3 ALA 52 -6.645 -6.924 -2.279 438 H MET 53 H MET 53 -4.286 -6.807 -5.336 439 HA MET 53 HA MET 53 -5.139 -5.120 -7.589 440 HB2 MET 53 HB2 MET 53 -2.423 -6.153 -6.855 441 HB3 MET 53 HB3 MET 53 -2.824 -5.953 -8.550 442 HG2 MET 53 HG2 MET 53 -1.689 -4.005 -7.867 443 HG3 MET 53 HG3 MET 53 -3.386 -3.571 -8.047 444 HE1 MET 53 HE1 MET 53 -3.140 -1.341 -6.696 445 HE2 MET 53 HE2 MET 53 -1.409 -1.681 -6.639 446 HE3 MET 53 HE3 MET 53 -2.269 -1.233 -5.165 447 H TYR 54 H TYR 54 -5.511 -6.167 -9.546 448 HA TYR 54 HA TYR 54 -5.764 -9.078 -9.315 449 HB2 TYR 54 HB2 TYR 54 -7.349 -7.145 -11.011 450 HB3 TYR 54 HB3 TYR 54 -7.495 -8.900 -11.099 451 HD1 TYR 54 HD2 TYR 54 -8.253 -10.148 -9.035 452 HD2 TYR 54 HD1 TYR 54 -8.534 -5.918 -9.378 453 HE1 TYR 54 HE2 TYR 54 -9.892 -10.118 -7.207 454 HE2 TYR 54 HE1 TYR 54 -10.173 -5.873 -7.546 455 HH TYR 54 HH TYR 54 -10.705 -8.517 -5.495 456 H THR 55 H THR 55 -4.804 -10.353 -10.650 457 HA THR 55 HA THR 55 -3.408 -9.302 -12.993 458 HB THR 55 HB THR 55 -1.782 -9.191 -11.203 459 HG1 THR 55 HG1 THR 55 -0.160 -10.450 -12.061 460 HG21 THR 55 HG21 THR 55 -1.097 -11.119 -9.870 461 HG22 THR 55 HG22 THR 55 -2.363 -12.089 -10.627 462 HG23 THR 55 HG23 THR 55 -2.793 -10.711 -9.612 463 H ASP 56 H ASP 56 -2.298 -11.526 -14.066 464 HA ASP 56 HA ASP 56 -4.375 -13.297 -14.805 465 HB2 ASP 56 HB2 ASP 56 -2.400 -12.859 -16.197 466 HB3 ASP 56 HB3 ASP 56 -1.377 -13.645 -15.007 467 H ALA 57 H ALA 57 -2.078 -13.357 -12.235 468 HA ALA 57 HA ALA 57 -2.698 -16.020 -11.303 469 HB1 ALA 57 HB1 ALA 57 -0.496 -15.036 -10.880 470 HB2 ALA 57 HB2 ALA 57 -1.321 -15.391 -9.362 471 HB3 ALA 57 HB3 ALA 57 -1.245 -13.734 -9.957 472 H GLU 58 H GLU 58 -3.146 -15.669 -8.586 473 HA GLU 58 HA GLU 58 -5.906 -15.013 -8.526 474 HB2 GLU 58 HB2 GLU 58 -3.966 -15.759 -6.342 475 HB3 GLU 58 HB3 GLU 58 -5.688 -15.525 -6.066 476 HG2 GLU 58 HG2 GLU 58 -6.183 -17.289 -7.678 477 HG3 GLU 58 HG3 GLU 58 -4.457 -17.541 -7.925 478 H GLU 59 H GLU 59 -6.412 -13.851 -6.100 479 HA GLU 59 HA GLU 59 -5.999 -11.074 -6.736 480 HB2 GLU 59 HB2 GLU 59 -8.208 -11.830 -5.920 481 HB3 GLU 59 HB3 GLU 59 -7.469 -12.357 -4.415 482 HG2 GLU 59 HG2 GLU 59 -6.781 -9.977 -4.028 483 HG3 GLU 59 HG3 GLU 59 -7.765 -9.535 -5.422 484 H VAL 60 H VAL 60 -4.133 -10.308 -6.291 485 HA VAL 60 HA VAL 60 -2.630 -11.245 -3.988 486 HB VAL 60 HB VAL 60 -1.834 -9.479 -6.329 487 HG11 VAL 60 HG11 VAL 60 -0.127 -10.623 -4.150 488 HG12 VAL 60 HG12 VAL 60 -0.561 -8.921 -4.326 489 HG13 VAL 60 HG13 VAL 60 0.439 -9.711 -5.549 490 HG21 VAL 60 HG21 VAL 60 -0.441 -11.348 -6.989 491 HG22 VAL 60 HG22 VAL 60 -2.144 -11.817 -6.939 492 HG23 VAL 60 HG23 VAL 60 -1.053 -12.288 -5.632 493 HA PRO 61 HA PRO 61 -3.939 -7.502 -1.705 494 HB2 PRO 61 HB2 PRO 61 -1.748 -8.451 0.042 495 HB3 PRO 61 HB3 PRO 61 -3.405 -8.026 0.461 496 HG2 PRO 61 HG2 PRO 61 -2.585 -10.573 0.414 497 HG3 PRO 61 HG3 PRO 61 -4.222 -10.112 -0.093 498 HD2 PRO 61 HD2 PRO 61 -1.855 -10.857 -1.747 499 HD3 PRO 61 HD3 PRO 61 -3.576 -11.201 -2.017 500 H LEU 62 H LEU 62 -2.896 -5.471 -1.431 501 HA LEU 62 HA LEU 62 -0.828 -4.922 -3.215 502 HB2 LEU 62 HB2 LEU 62 -2.348 -3.164 -2.455 503 HB3 LEU 62 HB3 LEU 62 -1.675 -3.249 -0.841 504 HG LEU 62 HG LEU 62 0.421 -2.322 -1.573 505 HD11 LEU 62 HD11 LEU 62 0.877 -1.762 -3.898 506 HD12 LEU 62 HD12 LEU 62 -0.665 -2.469 -4.380 507 HD13 LEU 62 HD13 LEU 62 0.604 -3.494 -3.707 508 HD21 LEU 62 HD21 LEU 62 -1.835 -0.817 -2.885 509 HD22 LEU 62 HD22 LEU 62 -0.243 -0.162 -2.504 510 HD23 LEU 62 HD23 LEU 62 -1.324 -0.669 -1.202 511 H SER 63 H SER 63 -0.712 -5.561 0.241 512 HA SER 63 HA SER 63 1.915 -4.856 0.803 513 HB2 SER 63 HB2 SER 63 0.256 -7.051 2.042 514 HB3 SER 63 HB3 SER 63 1.665 -6.294 2.769 515 HG SER 63 HG SER 63 0.329 -4.256 2.372 516 H GLU 64 H GLU 64 0.753 -7.740 -0.865 517 HA GLU 64 HA GLU 64 3.146 -9.276 -0.487 518 HB2 GLU 64 HB2 GLU 64 0.856 -9.563 -2.431 519 HB3 GLU 64 HB3 GLU 64 2.176 -10.714 -2.295 520 HG2 GLU 64 HG2 GLU 64 0.211 -10.012 -0.131 521 HG3 GLU 64 HG3 GLU 64 0.184 -11.470 -1.125 522 H VAL 65 H VAL 65 1.748 -7.520 -3.287 523 HA VAL 65 HA VAL 65 4.136 -7.973 -4.846 524 HB VAL 65 HB VAL 65 1.837 -8.077 -5.772 525 HG11 VAL 65 HG11 VAL 65 0.678 -6.022 -6.422 526 HG12 VAL 65 HG12 VAL 65 1.873 -5.084 -5.524 527 HG13 VAL 65 HG13 VAL 65 0.809 -6.202 -4.670 528 HG21 VAL 65 HG21 VAL 65 2.369 -6.982 -7.908 529 HG22 VAL 65 HG22 VAL 65 3.717 -7.920 -7.260 530 HG23 VAL 65 HG23 VAL 65 3.720 -6.161 -7.125 531 H LEU 66 H LEU 66 3.039 -5.494 -2.773 532 HA LEU 66 HA LEU 66 4.429 -3.201 -3.623 533 HB2 LEU 66 HB2 LEU 66 2.688 -3.206 -1.951 534 HB3 LEU 66 HB3 LEU 66 3.626 -4.242 -0.913 535 HG LEU 66 HG LEU 66 5.174 -2.371 -0.489 536 HD11 LEU 66 HD11 LEU 66 4.854 -1.109 -2.547 537 HD12 LEU 66 HD12 LEU 66 4.497 -0.113 -1.136 538 HD13 LEU 66 HD13 LEU 66 3.180 -0.787 -2.097 539 HD21 LEU 66 HD21 LEU 66 2.245 -1.853 0.002 540 HD22 LEU 66 HD22 LEU 66 3.580 -1.138 0.907 541 HD23 LEU 66 HD23 LEU 66 3.300 -2.878 0.977 542 H GLU 67 H GLU 67 5.391 -5.830 -1.423 543 HA GLU 67 HA GLU 67 8.065 -4.877 -1.147 544 HB2 GLU 67 HB2 GLU 67 6.570 -7.256 -0.247 545 HB3 GLU 67 HB3 GLU 67 8.314 -7.441 -0.406 546 HG2 GLU 67 HG2 GLU 67 6.877 -5.374 1.225 547 HG3 GLU 67 HG3 GLU 67 7.708 -6.806 1.825 548 H ALA 68 H ALA 68 6.446 -7.016 -3.381 549 HA ALA 68 HA ALA 68 8.667 -8.506 -4.249 550 HB1 ALA 68 HB1 ALA 68 6.363 -9.172 -4.680 551 HB2 ALA 68 HB2 ALA 68 7.308 -9.108 -6.169 552 HB3 ALA 68 HB3 ALA 68 6.177 -7.810 -5.786 553 H VAL 69 H VAL 69 7.311 -5.457 -5.535 554 HA VAL 69 HA VAL 69 9.300 -5.235 -7.590 555 HB VAL 69 HB VAL 69 8.483 -2.858 -7.848 556 HG11 VAL 69 HG11 VAL 69 6.411 -5.041 -7.978 557 HG12 VAL 69 HG12 VAL 69 7.601 -4.655 -9.222 558 HG13 VAL 69 HG13 VAL 69 6.329 -3.498 -8.828 559 HG21 VAL 69 HG21 VAL 69 6.447 -3.699 -5.783 560 HG22 VAL 69 HG22 VAL 69 6.368 -2.236 -6.764 561 HG23 VAL 69 HG23 VAL 69 7.668 -2.441 -5.588 562 H LYS 70 H LYS 70 9.001 -4.098 -4.313 563 HA LYS 70 HA LYS 70 11.122 -2.222 -4.310 564 HB2 LYS 70 HB2 LYS 70 9.312 -2.154 -2.710 565 HB3 LYS 70 HB3 LYS 70 9.725 -3.750 -2.110 566 HG2 LYS 70 HG2 LYS 70 11.813 -2.859 -1.208 567 HG3 LYS 70 HG3 LYS 70 11.378 -1.255 -1.816 568 HD2 LYS 70 HD2 LYS 70 9.539 -1.090 -0.374 569 HD3 LYS 70 HD3 LYS 70 9.559 -2.816 -0.014 570 HE2 LYS 70 HE2 LYS 70 11.804 -2.443 1.060 571 HE3 LYS 70 HE3 LYS 70 11.504 -0.713 0.894 572 HZ1 LYS 70 HZ1 LYS 70 9.530 -0.942 2.232 573 HZ2 LYS 70 HZ2 LYS 70 10.851 -1.577 3.074 574 HZ3 LYS 70 HZ3 LYS 70 9.741 -2.622 2.332 575 H LYS 71 H LYS 71 10.956 -5.679 -3.696 576 HA LYS 71 HA LYS 71 13.586 -6.008 -2.670 577 HB2 LYS 71 HB2 LYS 71 11.556 -7.914 -3.798 578 HB3 LYS 71 HB3 LYS 71 13.145 -8.462 -3.295 579 HG2 LYS 71 HG2 LYS 71 11.176 -7.040 -1.520 580 HG3 LYS 71 HG3 LYS 71 11.371 -8.789 -1.601 581 HD2 LYS 71 HD2 LYS 71 13.655 -8.600 -0.811 582 HD3 LYS 71 HD3 LYS 71 13.537 -6.838 -0.824 583 HE2 LYS 71 HE2 LYS 71 13.267 -7.787 1.439 584 HE3 LYS 71 HE3 LYS 71 11.850 -6.892 0.901 585 HZ1 LYS 71 HZ1 LYS 71 10.723 -8.937 0.430 586 HZ2 LYS 71 HZ2 LYS 71 11.316 -9.016 2.018 587 HZ3 LYS 71 HZ3 LYS 71 12.107 -9.846 0.774 588 H LYS 72 H LYS 72 12.305 -5.837 -5.919 589 HA LYS 72 HA LYS 72 14.623 -6.930 -7.195 590 HB2 LYS 72 HB2 LYS 72 12.084 -6.188 -8.038 591 HB3 LYS 72 HB3 LYS 72 13.130 -4.997 -8.799 592 HG2 LYS 72 HG2 LYS 72 13.566 -7.970 -9.006 593 HG3 LYS 72 HG3 LYS 72 12.652 -7.027 -10.182 594 HD2 LYS 72 HD2 LYS 72 14.577 -5.768 -10.784 595 HD3 LYS 72 HD3 LYS 72 15.503 -6.420 -9.433 596 HE2 LYS 72 HE2 LYS 72 16.186 -7.477 -11.501 597 HE3 LYS 72 HE3 LYS 72 15.397 -8.649 -10.451 598 HZ1 LYS 72 HZ1 LYS 72 13.445 -8.567 -11.767 599 HZ2 LYS 72 HZ2 LYS 72 14.745 -8.744 -12.839 600 HZ3 LYS 72 HZ3 LYS 72 14.004 -7.232 -12.653 601 H GLU 73 H GLU 73 13.662 -3.724 -6.096 602 HA GLU 73 HA GLU 73 15.926 -2.368 -7.187 603 HB2 GLU 73 HB2 GLU 73 13.941 -1.099 -6.649 604 HB3 GLU 73 HB3 GLU 73 13.981 -1.647 -4.984 605 HG2 GLU 73 HG2 GLU 73 14.674 0.701 -5.272 606 HG3 GLU 73 HG3 GLU 73 15.903 -0.308 -4.516 607 H ASN 74 H ASN 74 15.236 -2.790 -3.690 608 HA ASN 74 HA ASN 74 17.671 -4.015 -2.964 609 HB2 ASN 74 HB2 ASN 74 18.522 -1.759 -3.842 610 HB3 ASN 74 HB3 ASN 74 17.696 -1.016 -2.479 611 HD21 ASN 74 HD21 ASN 74 20.330 -3.092 -3.457 612 HD22 ASN 74 HD22 ASN 74 21.225 -2.978 -1.977 613 H GLY 75 H GLY 75 14.602 -2.988 -2.292 614 HA2 GLY 75 HA2 GLY 75 13.375 -2.711 -0.374 615 HA3 GLY 75 HA3 GLY 75 14.815 -3.105 0.553 616 H ALA 76 H ALA 76 14.553 -0.538 -1.829 617 HA ALA 76 HA ALA 76 15.645 1.324 0.102 618 HB1 ALA 76 HB1 ALA 76 16.640 1.147 -2.120 619 HB2 ALA 76 HB2 ALA 76 16.022 2.771 -1.813 620 HB3 ALA 76 HB3 ALA 76 15.115 1.663 -2.843 621 H VAL 77 H VAL 77 14.844 3.659 -0.079 622 HA VAL 77 HA VAL 77 12.021 3.561 0.587 623 HB VAL 77 HB VAL 77 13.482 4.395 2.304 624 HG11 VAL 77 HG11 VAL 77 14.725 6.490 2.148 625 HG12 VAL 77 HG12 VAL 77 14.330 6.584 0.431 626 HG13 VAL 77 HG13 VAL 77 15.328 5.261 1.034 627 HG21 VAL 77 HG21 VAL 77 11.797 6.628 1.206 628 HG22 VAL 77 HG22 VAL 77 12.433 6.531 2.848 629 HG23 VAL 77 HG23 VAL 77 11.269 5.332 2.283 630 H ALA 78 H ALA 78 11.283 3.419 -1.533 631 HA ALA 78 HA ALA 78 10.378 4.075 -3.487 632 HB1 ALA 78 HB1 ALA 78 9.133 6.140 -3.473 633 HB2 ALA 78 HB2 ALA 78 10.058 6.717 -2.085 634 HB3 ALA 78 HB3 ALA 78 8.994 5.318 -1.918 635 H SER 79 H SER 79 12.365 3.810 -4.633 636 HA SER 79 HA SER 79 14.087 6.019 -5.180 637 HB2 SER 79 HB2 SER 79 13.825 3.360 -6.597 638 HB3 SER 79 HB3 SER 79 15.185 4.477 -6.732 639 HG SER 79 HG SER 79 15.964 3.617 -4.992 640 H ILE 80 H ILE 80 11.329 4.591 -6.768 641 HA ILE 80 HA ILE 80 11.512 6.289 -9.105 642 HB ILE 80 HB ILE 80 10.602 4.083 -9.451 643 HG12 ILE 80 HG12 ILE 80 8.328 6.090 -9.589 644 HG13 ILE 80 HG13 ILE 80 9.569 5.867 -10.812 645 HG21 ILE 80 HG21 ILE 80 8.580 3.266 -8.336 646 HG22 ILE 80 HG22 ILE 80 8.535 4.736 -7.361 647 HG23 ILE 80 HG23 ILE 80 9.881 3.609 -7.194 648 HD11 ILE 80 HD11 ILE 80 7.499 3.835 -10.016 649 HD12 ILE 80 HD12 ILE 80 8.729 3.626 -11.262 650 HD13 ILE 80 HD13 ILE 80 7.466 4.840 -11.464 651 H ASN 81 H ASN 81 10.199 8.102 -9.521 652 HA ASN 81 HA ASN 81 8.816 9.231 -7.186 653 HB2 ASN 81 HB2 ASN 81 9.793 10.543 -9.731 654 HB3 ASN 81 HB3 ASN 81 8.859 11.372 -8.494 655 HD21 ASN 81 HD21 ASN 81 10.220 9.999 -6.287 656 HD22 ASN 81 HD22 ASN 81 11.789 10.720 -6.192 657 H TYR 82 H TYR 82 6.689 9.559 -7.176 658 HA TYR 82 HA TYR 82 5.088 8.758 -9.446 659 HB2 TYR 82 HB2 TYR 82 3.159 9.066 -7.980 660 HB3 TYR 82 HB3 TYR 82 4.385 8.117 -7.154 661 HD1 TYR 82 HD1 TYR 82 5.817 9.269 -5.392 662 HD2 TYR 82 HD2 TYR 82 2.326 11.063 -7.031 663 HE1 TYR 82 HE1 TYR 82 5.720 10.808 -3.483 664 HE2 TYR 82 HE2 TYR 82 2.226 12.608 -5.128 665 HH TYR 82 HH TYR 82 3.013 12.758 -2.823 666 H LYS 83 H LYS 83 3.358 10.178 -10.268 667 HA LYS 83 HA LYS 83 2.376 12.022 -11.057 668 HB2 LYS 83 HB2 LYS 83 2.632 13.020 -8.801 669 HB3 LYS 83 HB3 LYS 83 4.191 13.663 -9.284 670 HG2 LYS 83 HG2 LYS 83 3.223 15.177 -10.792 671 HG3 LYS 83 HG3 LYS 83 1.662 14.352 -10.744 672 HD2 LYS 83 HD2 LYS 83 2.929 15.743 -8.388 673 HD3 LYS 83 HD3 LYS 83 1.732 16.484 -9.454 674 HE2 LYS 83 HE2 LYS 83 0.133 14.711 -8.865 675 HE3 LYS 83 HE3 LYS 83 1.332 13.998 -7.787 676 HZ1 LYS 83 HZ1 LYS 83 -0.277 15.362 -6.600 677 HZ2 LYS 83 HZ2 LYS 83 0.182 16.721 -7.507 678 HZ3 LYS 83 HZ3 LYS 83 1.291 15.990 -6.453 679 H LYS 84 H LYS 84 5.838 11.921 -10.973 680 HA LYS 84 HA LYS 84 6.116 13.352 -13.501 681 HB2 LYS 84 HB2 LYS 84 8.284 11.935 -11.940 682 HB3 LYS 84 HB3 LYS 84 8.465 13.249 -13.099 683 HG2 LYS 84 HG2 LYS 84 7.347 14.771 -11.565 684 HG3 LYS 84 HG3 LYS 84 7.133 13.459 -10.409 685 HD2 LYS 84 HD2 LYS 84 9.655 13.239 -10.414 686 HD3 LYS 84 HD3 LYS 84 9.684 14.781 -11.280 687 HE2 LYS 84 HE2 LYS 84 8.221 15.688 -9.420 688 HE3 LYS 84 HE3 LYS 84 8.589 14.208 -8.538 689 HZ1 LYS 84 HZ1 LYS 84 10.981 14.793 -8.783 690 HZ2 LYS 84 HZ2 LYS 84 10.100 15.889 -7.840 691 HZ3 LYS 84 HZ3 LYS 84 10.512 16.286 -9.435 692 H ALA 85 H ALA 85 5.533 10.286 -12.315 693 HA ALA 85 HA ALA 85 6.579 8.811 -14.584 694 HB1 ALA 85 HB1 ALA 85 6.731 7.808 -12.357 695 HB2 ALA 85 HB2 ALA 85 5.684 6.850 -13.404 696 HB3 ALA 85 HB3 ALA 85 4.979 7.909 -12.182 697 H SER 86 H SER 86 5.376 8.308 -16.319 698 HA SER 86 HA SER 86 2.606 9.175 -16.454 699 HB2 SER 86 HB2 SER 86 4.378 7.933 -18.580 700 HB3 SER 86 HB3 SER 86 2.827 8.727 -18.850 701 HG SER 86 HG SER 86 4.696 10.062 -19.269 702 H ALA 87 H ALA 87 1.467 7.411 -18.214 703 HA ALA 87 HA ALA 87 0.828 5.117 -16.654 704 HB1 ALA 87 HB1 ALA 87 0.226 5.685 -19.548 705 HB2 ALA 87 HB2 ALA 87 -0.778 6.148 -18.173 706 HB3 ALA 87 HB3 ALA 87 -0.535 4.442 -18.555 707 H ASP 88 H ASP 88 3.079 5.735 -19.259 708 HA ASP 88 HA ASP 88 3.821 3.089 -19.888 709 HB2 ASP 88 HB2 ASP 88 5.577 5.553 -19.919 710 HB3 ASP 88 HB3 ASP 88 5.889 4.053 -20.783 711 H GLU 89 H GLU 89 4.904 5.301 -17.346 712 HA GLU 89 HA GLU 89 6.969 3.515 -16.411 713 HB2 GLU 89 HB2 GLU 89 5.811 5.953 -15.058 714 HB3 GLU 89 HB3 GLU 89 7.303 5.137 -14.625 715 HG2 GLU 89 HG2 GLU 89 6.747 6.648 -17.164 716 HG3 GLU 89 HG3 GLU 89 7.766 7.175 -15.827 717 H LEU 90 H LEU 90 3.631 4.178 -15.666 718 HA LEU 90 HA LEU 90 3.507 2.881 -13.138 719 HB2 LEU 90 HB2 LEU 90 1.871 4.565 -13.953 720 HB3 LEU 90 HB3 LEU 90 1.312 3.417 -15.150 721 HG LEU 90 HG LEU 90 1.137 2.231 -12.542 722 HD11 LEU 90 HD11 LEU 90 1.042 4.521 -11.720 723 HD12 LEU 90 HD12 LEU 90 -0.517 3.714 -11.551 724 HD13 LEU 90 HD13 LEU 90 -0.265 4.879 -12.851 725 HD21 LEU 90 HD21 LEU 90 -1.212 1.987 -13.166 726 HD22 LEU 90 HD22 LEU 90 -0.147 1.530 -14.496 727 HD23 LEU 90 HD23 LEU 90 -0.973 3.088 -14.521 728 H HIS 91 H HIS 91 3.555 1.757 -16.395 729 HA HIS 91 HA HIS 91 2.357 -0.799 -15.643 730 HB2 HIS 91 HB2 HIS 91 1.374 0.298 -17.605 731 HB3 HIS 91 HB3 HIS 91 2.941 0.317 -18.400 732 HD1 HIS 91 HD1 HIS 91 1.563 -2.707 -16.592 733 HD2 HIS 91 HD2 HIS 91 2.291 -1.387 -20.466 734 HE1 HIS 91 HE1 HIS 91 1.261 -4.726 -18.059 735 HE2 HIS 91 HE2 HIS 91 1.832 -3.932 -20.382 736 H ALA 92 H ALA 92 5.281 0.553 -17.178 737 HA ALA 92 HA ALA 92 6.479 -1.984 -17.630 738 HB1 ALA 92 HB1 ALA 92 7.035 0.015 -18.938 739 HB2 ALA 92 HB2 ALA 92 8.464 -0.760 -18.252 740 HB3 ALA 92 HB3 ALA 92 7.819 0.708 -17.518 741 H TYR 93 H TYR 93 6.730 0.329 -14.961 742 HA TYR 93 HA TYR 93 8.962 -0.977 -13.738 743 HB2 TYR 93 HB2 TYR 93 8.535 1.415 -13.388 744 HB3 TYR 93 HB3 TYR 93 7.029 1.032 -12.562 745 HD1 TYR 93 HD2 TYR 93 10.703 0.497 -12.355 746 HD2 TYR 93 HD1 TYR 93 7.020 0.706 -10.235 747 HE1 TYR 93 HE2 TYR 93 11.923 0.347 -10.231 748 HE2 TYR 93 HE1 TYR 93 8.232 0.552 -8.099 749 HH TYR 93 HH TYR 93 11.659 0.867 -7.914 750 H PHE 94 H PHE 94 5.469 -1.323 -13.429 751 HA PHE 94 HA PHE 94 5.660 -2.812 -10.962 752 HB2 PHE 94 HB2 PHE 94 3.696 -1.326 -11.726 753 HB3 PHE 94 HB3 PHE 94 3.241 -2.684 -12.747 754 HD1 PHE 94 HD1 PHE 94 4.242 -2.092 -9.198 755 HD2 PHE 94 HD2 PHE 94 1.644 -4.084 -11.912 756 HE1 PHE 94 HE1 PHE 94 3.023 -3.077 -7.306 757 HE2 PHE 94 HE2 PHE 94 0.421 -5.072 -10.026 758 HZ PHE 94 HZ PHE 94 1.109 -4.565 -7.722 759 H ALA 95 H ALA 95 5.674 -3.414 -14.365 760 HA ALA 95 HA ALA 95 5.197 -6.256 -14.181 761 HB1 ALA 95 HB1 ALA 95 4.441 -4.980 -16.115 762 HB2 ALA 95 HB2 ALA 95 5.567 -6.255 -16.587 763 HB3 ALA 95 HB3 ALA 95 6.113 -4.579 -16.506 764 H GLU 96 H GLU 96 7.677 -4.659 -13.058 765 HA GLU 96 HA GLU 96 10.004 -5.815 -14.163 766 HB2 GLU 96 HB2 GLU 96 9.907 -3.804 -12.674 767 HB3 GLU 96 HB3 GLU 96 9.502 -4.859 -11.335 768 HG2 GLU 96 HG2 GLU 96 11.819 -4.214 -11.256 769 HG3 GLU 96 HG3 GLU 96 11.669 -5.950 -11.525 770 H VAL 97 H VAL 97 7.911 -6.769 -11.444 771 HA VAL 97 HA VAL 97 9.120 -9.451 -11.574 772 HB VAL 97 HB VAL 97 8.430 -9.804 -9.211 773 HG11 VAL 97 HG11 VAL 97 10.719 -9.217 -9.744 774 HG12 VAL 97 HG12 VAL 97 10.232 -8.496 -8.209 775 HG13 VAL 97 HG13 VAL 97 10.314 -7.503 -9.665 776 HG21 VAL 97 HG21 VAL 97 6.685 -8.137 -9.020 777 HG22 VAL 97 HG22 VAL 97 7.863 -6.846 -9.255 778 HG23 VAL 97 HG23 VAL 97 7.936 -7.852 -7.807 779 H LEU 98 H LEU 98 6.199 -7.597 -11.713 780 HA LEU 98 HA LEU 98 4.669 -10.098 -11.980 781 HB2 LEU 98 HB2 LEU 98 4.128 -8.647 -9.945 782 HB3 LEU 98 HB3 LEU 98 3.516 -7.456 -11.074 783 HG LEU 98 HG LEU 98 1.999 -9.395 -11.920 784 HD11 LEU 98 HD11 LEU 98 2.713 -10.377 -9.161 785 HD12 LEU 98 HD12 LEU 98 3.085 -11.180 -10.687 786 HD13 LEU 98 HD13 LEU 98 1.408 -11.000 -10.170 787 HD21 LEU 98 HD21 LEU 98 1.551 -8.059 -9.254 788 HD22 LEU 98 HD22 LEU 98 0.304 -8.816 -10.245 789 HD23 LEU 98 HD23 LEU 98 1.159 -7.393 -10.840 790 HA PRO 99 HA PRO 99 4.405 -7.734 -15.915 791 HB2 PRO 99 HB2 PRO 99 5.142 -9.663 -17.619 792 HB3 PRO 99 HB3 PRO 99 6.318 -8.783 -16.640 793 HG2 PRO 99 HG2 PRO 99 5.275 -11.543 -16.318 794 HG3 PRO 99 HG3 PRO 99 6.871 -10.887 -15.923 795 HD2 PRO 99 HD2 PRO 99 4.737 -11.340 -14.131 796 HD3 PRO 99 HD3 PRO 99 6.236 -10.452 -13.796 797 H ASN 100 H ASN 100 2.639 -10.301 -14.677 798 HA ASN 100 HA ASN 100 1.131 -10.830 -17.113 799 HB2 ASN 100 HB2 ASN 100 0.209 -12.770 -15.885 800 HB3 ASN 100 HB3 ASN 100 1.961 -12.791 -15.974 801 HD21 ASN 100 HD21 ASN 100 0.211 -14.196 -14.164 802 HD22 ASN 100 HD22 ASN 100 0.671 -13.720 -12.566 803 H TYR 101 H TYR 101 0.845 -8.489 -14.965 804 HA TYR 101 HA TYR 101 -2.018 -8.759 -14.473 805 HB2 TYR 101 HB2 TYR 101 -1.834 -6.990 -12.950 806 HB3 TYR 101 HB3 TYR 101 -0.277 -7.790 -12.795 807 HD1 TYR 101 HD1 TYR 101 1.628 -6.766 -14.379 808 HD2 TYR 101 HD2 TYR 101 -1.891 -4.727 -13.146 809 HE1 TYR 101 HE1 TYR 101 2.719 -4.615 -14.841 810 HE2 TYR 101 HE2 TYR 101 -0.809 -2.579 -13.605 811 HH TYR 101 HH TYR 101 1.492 -1.688 -13.748 812 H ASP 102 H ASP 102 -3.472 -6.925 -15.077 813 HA ASP 102 HA ASP 102 -2.561 -5.541 -17.503 814 HB2 ASP 102 HB2 ASP 102 -4.105 -7.483 -17.996 815 HB3 ASP 102 HB3 ASP 102 -5.366 -6.615 -17.126 816 H ARG 103 H ARG 103 -3.549 -3.510 -17.922 817 HA ARG 103 HA ARG 103 -4.116 -2.025 -15.532 818 HB2 ARG 103 HB2 ARG 103 -4.243 -0.065 -17.186 819 HB3 ARG 103 HB3 ARG 103 -2.697 -0.853 -16.941 820 HG2 ARG 103 HG2 ARG 103 -2.853 -0.446 -19.245 821 HG3 ARG 103 HG3 ARG 103 -3.175 -2.165 -19.050 822 HD2 ARG 103 HD2 ARG 103 -5.594 -1.698 -19.219 823 HD3 ARG 103 HD3 ARG 103 -5.225 0.005 -19.482 824 HE ARG 103 HE ARG 103 -4.064 -0.708 -21.535 825 HH11 ARG 103 HH11 ARG 103 -6.433 -2.904 -20.141 826 HH12 ARG 103 HH12 ARG 103 -6.846 -3.615 -21.668 827 HH21 ARG 103 HH21 ARG 103 -4.646 -1.636 -23.534 828 HH22 ARG 103 HH22 ARG 103 -5.853 -2.882 -23.587 829 H ASP 104 H ASP 104 -6.145 -3.799 -17.428 830 HA ASP 104 HA ASP 104 -8.465 -2.085 -17.111 831 HB2 ASP 104 HB2 ASP 104 -8.261 -3.740 -18.976 832 HB3 ASP 104 HB3 ASP 104 -8.324 -5.037 -17.794 833 H ARG 105 H ARG 105 -6.721 -4.482 -15.361 834 HA ARG 105 HA ARG 105 -8.896 -4.970 -13.485 835 HB2 ARG 105 HB2 ARG 105 -6.189 -6.274 -13.763 836 HB3 ARG 105 HB3 ARG 105 -7.394 -6.715 -12.562 837 HG2 ARG 105 HG2 ARG 105 -7.700 -6.946 -15.554 838 HG3 ARG 105 HG3 ARG 105 -7.437 -8.273 -14.417 839 HD2 ARG 105 HD2 ARG 105 -9.556 -7.715 -13.306 840 HD3 ARG 105 HD3 ARG 105 -9.822 -6.425 -14.475 841 HE ARG 105 HE ARG 105 -9.449 -8.819 -15.875 842 HH11 ARG 105 HH11 ARG 105 -11.801 -7.363 -13.708 843 HH12 ARG 105 HH12 ARG 105 -13.141 -8.247 -14.369 844 HH21 ARG 105 HH21 ARG 105 -11.215 -9.981 -16.719 845 HH22 ARG 105 HH22 ARG 105 -12.804 -9.747 -16.056 846 H VAL 106 H VAL 106 -5.550 -3.776 -13.493 847 HA VAL 106 HA VAL 106 -5.926 -2.669 -10.819 848 HB VAL 106 HB VAL 106 -3.702 -3.634 -11.725 849 HG11 VAL 106 HG11 VAL 106 -3.548 -0.921 -13.022 850 HG12 VAL 106 HG12 VAL 106 -3.606 -2.479 -13.848 851 HG13 VAL 106 HG13 VAL 106 -2.209 -2.059 -12.857 852 HG21 VAL 106 HG21 VAL 106 -2.345 -2.056 -10.438 853 HG22 VAL 106 HG22 VAL 106 -3.835 -2.496 -9.601 854 HG23 VAL 106 HG23 VAL 106 -3.703 -0.930 -10.406 855 H HIS 107 H HIS 107 -5.722 -0.309 -10.493 856 HA HIS 107 HA HIS 107 -6.887 1.141 -12.763 857 HB2 HIS 107 HB2 HIS 107 -6.790 1.875 -9.826 858 HB3 HIS 107 HB3 HIS 107 -7.469 2.904 -11.086 859 HD1 HIS 107 HD1 HIS 107 -9.801 2.346 -11.932 860 HD2 HIS 107 HD2 HIS 107 -8.337 -0.452 -9.232 861 HE1 HIS 107 HE1 HIS 107 -11.738 0.837 -11.412 862 HE2 HIS 107 HE2 HIS 107 -10.759 -0.979 -9.971 863 H ASN 108 H ASN 108 -6.055 3.105 -13.479 864 HA ASN 108 HA ASN 108 -3.206 3.357 -13.261 865 HB2 ASN 108 HB2 ASN 108 -4.676 3.816 -15.347 866 HB3 ASN 108 HB3 ASN 108 -5.029 5.360 -14.586 867 HD21 ASN 108 HD21 ASN 108 -3.671 4.745 -17.069 868 HD22 ASN 108 HD22 ASN 108 -2.119 5.493 -16.967 869 H GLY 109 H GLY 109 -2.379 4.164 -11.523 870 HA2 GLY 109 HA2 GLY 109 -2.100 6.348 -10.302 871 HA3 GLY 109 HA3 GLY 109 -3.845 6.270 -10.082 872 H ASP 110 H ASP 110 -3.400 3.199 -9.853 873 HA ASP 110 HA ASP 110 -3.360 3.088 -7.012 874 HB2 ASP 110 HB2 ASP 110 -3.310 0.954 -9.133 875 HB3 ASP 110 HB3 ASP 110 -3.166 0.559 -7.428 876 H ILE 111 H ILE 111 -0.967 2.470 -9.469 877 HA ILE 111 HA ILE 111 1.003 1.484 -7.649 878 HB ILE 111 HB ILE 111 1.588 2.547 -10.414 879 HG12 ILE 111 HG12 ILE 111 -0.247 1.002 -10.728 880 HG13 ILE 111 HG13 ILE 111 1.236 0.223 -11.258 881 HG21 ILE 111 HG21 ILE 111 3.394 0.883 -10.388 882 HG22 ILE 111 HG22 ILE 111 2.929 0.405 -8.755 883 HG23 ILE 111 HG23 ILE 111 3.546 2.030 -9.057 884 HD11 ILE 111 HD11 ILE 111 1.294 -1.056 -9.166 885 HD12 ILE 111 HD12 ILE 111 -0.193 -1.333 -10.075 886 HD13 ILE 111 HD13 ILE 111 -0.207 -0.277 -8.661 887 H LYS 112 H LYS 112 0.068 4.646 -8.852 888 HA LYS 112 HA LYS 112 2.529 5.855 -7.924 889 HB2 LYS 112 HB2 LYS 112 0.083 7.035 -9.213 890 HB3 LYS 112 HB3 LYS 112 1.418 8.015 -8.621 891 HG2 LYS 112 HG2 LYS 112 2.932 6.673 -10.102 892 HG3 LYS 112 HG3 LYS 112 1.491 5.940 -10.796 893 HD2 LYS 112 HD2 LYS 112 2.003 8.912 -10.768 894 HD3 LYS 112 HD3 LYS 112 2.482 7.859 -12.095 895 HE2 LYS 112 HE2 LYS 112 0.466 8.635 -12.872 896 HE3 LYS 112 HE3 LYS 112 -0.050 7.166 -12.050 897 HZ1 LYS 112 HZ1 LYS 112 -0.142 9.893 -10.879 898 HZ2 LYS 112 HZ2 LYS 112 -0.717 8.478 -10.153 899 HZ3 LYS 112 HZ3 LYS 112 -1.467 9.080 -11.548 900 H LYS 113 H LYS 113 -0.727 5.445 -6.677 901 HA LYS 113 HA LYS 113 -0.310 7.180 -4.412 902 HB2 LYS 113 HB2 LYS 113 -2.341 6.221 -3.489 903 HB3 LYS 113 HB3 LYS 113 -2.598 6.539 -5.198 904 HG2 LYS 113 HG2 LYS 113 -2.212 4.162 -5.688 905 HG3 LYS 113 HG3 LYS 113 -1.980 3.856 -3.972 906 HD2 LYS 113 HD2 LYS 113 -4.215 3.203 -4.596 907 HD3 LYS 113 HD3 LYS 113 -4.305 4.628 -3.562 908 HE2 LYS 113 HE2 LYS 113 -4.779 6.044 -5.412 909 HE3 LYS 113 HE3 LYS 113 -4.369 4.781 -6.572 910 HZ1 LYS 113 HZ1 LYS 113 -6.293 3.550 -5.944 911 HZ2 LYS 113 HZ2 LYS 113 -6.784 5.137 -6.276 912 HZ3 LYS 113 HZ3 LYS 113 -6.642 4.619 -4.674 913 H LEU 114 H LEU 114 0.433 3.945 -5.296 914 HA LEU 114 HA LEU 114 1.151 2.872 -2.801 915 HB2 LEU 114 HB2 LEU 114 0.748 1.319 -4.467 916 HB3 LEU 114 HB3 LEU 114 1.613 2.227 -5.681 917 HG LEU 114 HG LEU 114 3.080 0.712 -3.511 918 HD11 LEU 114 HD11 LEU 114 2.203 -0.285 -6.218 919 HD12 LEU 114 HD12 LEU 114 1.554 -0.818 -4.667 920 HD13 LEU 114 HD13 LEU 114 3.239 -1.142 -5.076 921 HD21 LEU 114 HD21 LEU 114 4.851 0.622 -5.183 922 HD22 LEU 114 HD22 LEU 114 4.385 2.295 -4.860 923 HD23 LEU 114 HD23 LEU 114 3.825 1.491 -6.327 924 H ILE 115 H ILE 115 2.850 4.941 -5.098 925 HA ILE 115 HA ILE 115 5.469 4.621 -4.045 926 HB ILE 115 HB ILE 115 4.476 7.105 -5.453 927 HG12 ILE 115 HG12 ILE 115 3.909 5.173 -6.846 928 HG13 ILE 115 HG13 ILE 115 5.205 6.112 -7.570 929 HG21 ILE 115 HG21 ILE 115 6.671 7.343 -4.442 930 HG22 ILE 115 HG22 ILE 115 6.803 7.322 -6.201 931 HG23 ILE 115 HG23 ILE 115 7.229 5.888 -5.268 932 HD11 ILE 115 HD11 ILE 115 5.593 3.736 -7.827 933 HD12 ILE 115 HD12 ILE 115 5.514 3.516 -6.078 934 HD13 ILE 115 HD13 ILE 115 6.827 4.455 -6.792 935 H SER 116 H SER 116 2.788 6.729 -3.232 936 HA SER 116 HA SER 116 4.093 8.483 -1.474 937 HB2 SER 116 HB2 SER 116 1.251 7.462 -1.272 938 HB3 SER 116 HB3 SER 116 1.883 8.948 -0.568 939 HG SER 116 HG SER 116 0.747 8.801 -2.837 940 H TRP 117 H TRP 117 2.521 5.334 -0.871 941 HA TRP 117 HA TRP 117 3.177 5.356 1.929 942 HB2 TRP 117 HB2 TRP 117 2.260 3.011 0.253 943 HB3 TRP 117 HB3 TRP 117 2.227 3.131 2.008 944 HD1 TRP 117 HD1 TRP 117 0.843 5.881 2.454 945 HE1 TRP 117 HE1 TRP 117 -1.607 6.265 1.764 946 HE3 TRP 117 HE3 TRP 117 0.352 2.086 -0.952 947 HZ2 TRP 117 HZ2 TRP 117 -3.495 5.111 0.005 948 HZ3 TRP 117 HZ3 TRP 117 -1.808 1.796 -2.080 949 HH2 TRP 117 HH2 TRP 117 -3.691 3.274 -1.610 950 H TYR 118 H TYR 118 4.572 4.077 -0.973 951 HA TYR 118 HA TYR 118 6.405 2.154 -0.236 952 HB2 TYR 118 HB2 TYR 118 5.677 3.429 -2.468 953 HB3 TYR 118 HB3 TYR 118 7.174 4.276 -2.178 954 HD1 TYR 118 HD1 TYR 118 6.501 0.595 -1.777 955 HD2 TYR 118 HD2 TYR 118 8.436 3.689 -3.969 956 HE1 TYR 118 HE1 TYR 118 7.639 -1.090 -3.168 957 HE2 TYR 118 HE2 TYR 118 9.581 2.016 -5.346 958 HH TYR 118 HH TYR 118 10.187 -0.258 -5.369 959 H ASN 119 H ASN 119 6.678 5.660 -0.018 960 HA ASN 119 HA ASN 119 9.394 5.715 0.897 961 HB2 ASN 119 HB2 ASN 119 8.151 7.543 -0.374 962 HB3 ASN 119 HB3 ASN 119 7.332 7.906 1.138 963 HD21 ASN 119 HD21 ASN 119 10.316 8.022 -0.614 964 HD22 ASN 119 HD22 ASN 119 11.150 9.080 0.466 965 H ILE 120 H ILE 120 6.212 5.959 2.428 966 HA ILE 120 HA ILE 120 7.052 6.723 5.025 967 HB ILE 120 HB ILE 120 4.485 5.278 4.300 968 HG12 ILE 120 HG12 ILE 120 4.976 8.264 4.354 969 HG13 ILE 120 HG13 ILE 120 4.923 7.301 2.882 970 HG21 ILE 120 HG21 ILE 120 3.539 6.455 6.221 971 HG22 ILE 120 HG22 ILE 120 5.113 7.184 6.558 972 HG23 ILE 120 HG23 ILE 120 4.897 5.439 6.704 973 HD11 ILE 120 HD11 ILE 120 2.651 7.637 4.829 974 HD12 ILE 120 HD12 ILE 120 2.604 6.730 3.317 975 HD13 ILE 120 HD13 ILE 120 2.826 8.480 3.290 976 H LEU 121 H LEU 121 6.406 3.579 3.573 977 HA LEU 121 HA LEU 121 6.288 1.957 5.852 978 HB2 LEU 121 HB2 LEU 121 7.271 1.215 3.100 979 HB3 LEU 121 HB3 LEU 121 6.729 0.097 4.332 980 HG LEU 121 HG LEU 121 4.876 2.192 3.235 981 HD11 LEU 121 HD11 LEU 121 4.111 0.562 1.605 982 HD12 LEU 121 HD12 LEU 121 5.396 -0.541 2.093 983 HD13 LEU 121 HD13 LEU 121 5.797 1.001 1.333 984 HD21 LEU 121 HD21 LEU 121 4.168 0.993 5.245 985 HD22 LEU 121 HD22 LEU 121 4.401 -0.544 4.410 986 HD23 LEU 121 HD23 LEU 121 3.159 0.582 3.857 987 H VAL 122 H VAL 122 8.996 2.581 3.695 988 HA VAL 122 HA VAL 122 10.940 1.089 5.077 989 HB VAL 122 HB VAL 122 11.538 3.482 3.337 990 HG11 VAL 122 HG11 VAL 122 13.468 2.524 4.478 991 HG12 VAL 122 HG12 VAL 122 13.556 2.247 2.739 992 HG13 VAL 122 HG13 VAL 122 13.083 0.935 3.820 993 HG21 VAL 122 HG21 VAL 122 9.933 2.094 2.170 994 HG22 VAL 122 HG22 VAL 122 10.928 0.667 2.459 995 HG23 VAL 122 HG23 VAL 122 11.525 1.964 1.421 996 H ASN 123 H ASN 123 9.865 4.405 5.501 997 HA ASN 123 HA ASN 123 12.163 5.533 6.621 998 HB2 ASN 123 HB2 ASN 123 10.072 6.695 5.729 999 HB3 ASN 123 HB3 ASN 123 9.355 6.398 7.301 1000 HD21 ASN 123 HD21 ASN 123 10.032 8.890 5.892 1001 HD22 ASN 123 HD22 ASN 123 11.032 9.785 6.979 1002 H ASN 124 H ASN 124 9.285 4.295 8.400 1003 HA ASN 124 HA ASN 124 10.884 4.524 10.839 1004 HB2 ASN 124 HB2 ASN 124 8.779 4.317 12.092 1005 HB3 ASN 124 HB3 ASN 124 8.764 5.672 10.973 1006 HD21 ASN 124 HD21 ASN 124 7.490 5.544 9.113 1007 HD22 ASN 124 HD22 ASN 124 6.169 4.438 9.000 1008 H GLY 125 H GLY 125 10.334 2.238 8.623 1009 HA2 GLY 125 HA2 GLY 125 10.704 -0.033 8.580 1010 HA3 GLY 125 HA3 GLY 125 11.267 0.105 10.238 1011 H ILE 126 H ILE 126 8.255 0.126 8.361 1012 HA ILE 126 HA ILE 126 6.573 -0.426 10.558 1013 HB ILE 126 HB ILE 126 6.057 -0.751 7.601 1014 HG12 ILE 126 HG12 ILE 126 5.451 1.487 9.549 1015 HG13 ILE 126 HG13 ILE 126 6.669 1.526 8.281 1016 HG21 ILE 126 HG21 ILE 126 3.688 -0.685 8.173 1017 HG22 ILE 126 HG22 ILE 126 4.098 -0.655 9.887 1018 HG23 ILE 126 HG23 ILE 126 4.486 -2.075 8.914 1019 HD11 ILE 126 HD11 ILE 126 4.900 1.363 6.608 1020 HD12 ILE 126 HD12 ILE 126 4.736 2.787 7.636 1021 HD13 ILE 126 HD13 ILE 126 3.695 1.384 7.896 1022 H THR 127 H THR 127 7.581 -2.539 7.882 1023 HA THR 127 HA THR 127 7.709 -4.750 7.559 1024 HB THR 127 HB THR 127 8.694 -6.151 9.327 1025 HG1 THR 127 HG1 THR 127 7.799 -4.138 10.971 1026 HG21 THR 127 HG21 THR 127 9.924 -3.413 9.042 1027 HG22 THR 127 HG22 THR 127 10.154 -4.788 7.960 1028 HG23 THR 127 HG23 THR 127 10.775 -4.849 9.611 1029 H GLU 128 H GLU 128 5.084 -3.870 8.016 1030 HA GLU 128 HA GLU 128 3.764 -6.114 9.355 1031 HB2 GLU 128 HB2 GLU 128 2.853 -3.475 8.248 1032 HB3 GLU 128 HB3 GLU 128 1.693 -4.762 8.539 1033 HG2 GLU 128 HG2 GLU 128 3.546 -3.664 10.630 1034 HG3 GLU 128 HG3 GLU 128 1.889 -3.114 10.376 1035 H PHE 129 H PHE 129 5.303 -6.177 6.760 1036 HA PHE 129 HA PHE 129 3.524 -7.625 5.056 1037 HB2 PHE 129 HB2 PHE 129 3.543 -6.037 3.178 1038 HB3 PHE 129 HB3 PHE 129 2.818 -5.282 4.586 1039 HD1 PHE 129 HD1 PHE 129 4.614 -3.898 6.077 1040 HD2 PHE 129 HD2 PHE 129 4.975 -4.789 1.930 1041 HE1 PHE 129 HE1 PHE 129 6.183 -2.036 5.816 1042 HE2 PHE 129 HE2 PHE 129 6.555 -2.932 1.677 1043 HZ PHE 129 HZ PHE 129 7.163 -1.560 3.616 1044 H VAL 130 H VAL 130 6.348 -7.314 6.405 1045 HA VAL 130 HA VAL 130 7.906 -8.573 4.383 1046 HB VAL 130 HB VAL 130 8.139 -6.304 3.542 1047 HG11 VAL 130 HG11 VAL 130 9.235 -5.510 6.227 1048 HG12 VAL 130 HG12 VAL 130 7.682 -5.022 5.548 1049 HG13 VAL 130 HG13 VAL 130 9.183 -4.500 4.782 1050 HG21 VAL 130 HG21 VAL 130 10.088 -7.690 3.284 1051 HG22 VAL 130 HG22 VAL 130 10.670 -7.230 4.885 1052 HG23 VAL 130 HG23 VAL 130 10.583 -6.027 3.596 1053 H GLU 131 H GLU 131 9.580 -9.669 5.218 1054 HA GLU 131 HA GLU 131 9.915 -9.817 8.055 1055 HB2 GLU 131 HB2 GLU 131 12.013 -11.256 6.944 1056 HB3 GLU 131 HB3 GLU 131 10.468 -11.909 7.448 1057 HG2 GLU 131 HG2 GLU 131 10.786 -12.770 5.315 1058 HG3 GLU 131 HG3 GLU 131 9.683 -11.423 5.058 1059 H ALA 132 H ALA 132 12.223 -9.101 5.422 1060 HA ALA 132 HA ALA 132 13.313 -6.820 6.777 1061 HB1 ALA 132 HB1 ALA 132 14.479 -8.598 8.018 1062 HB2 ALA 132 HB2 ALA 132 15.600 -7.666 7.024 1063 HB3 ALA 132 HB3 ALA 132 15.075 -9.265 6.496 1064 HA PRO 133 HA PRO 133 13.989 -6.349 2.314 1065 HB2 PRO 133 HB2 PRO 133 14.437 -3.637 2.433 1066 HB3 PRO 133 HB3 PRO 133 12.857 -4.392 2.228 1067 HG2 PRO 133 HG2 PRO 133 14.063 -3.154 4.627 1068 HG3 PRO 133 HG3 PRO 133 12.361 -3.294 4.163 1069 HD2 PRO 133 HD2 PRO 133 13.640 -4.841 6.078 1070 HD3 PRO 133 HD3 PRO 133 12.121 -5.263 5.270 1071 H ALA 134 H ALA 134 15.967 -4.022 4.199 1072 HA ALA 134 HA ALA 134 18.370 -5.537 3.538 1073 HB1 ALA 134 HB1 ALA 134 18.141 -3.913 1.708 1074 HB2 ALA 134 HB2 ALA 134 19.550 -3.563 2.712 1075 HB3 ALA 134 HB3 ALA 134 18.081 -2.600 2.885 1076 H LEU 135 H LEU 135 18.831 -6.019 5.602 1077 HA LEU 135 HA LEU 135 19.142 -3.771 7.487 1078 HB2 LEU 135 HB2 LEU 135 17.878 -6.441 7.877 1079 HB3 LEU 135 HB3 LEU 135 18.783 -5.763 9.214 1080 HG LEU 135 HG LEU 135 17.278 -3.689 8.917 1081 HD11 LEU 135 HD11 LEU 135 15.578 -5.726 7.496 1082 HD12 LEU 135 HD12 LEU 135 16.306 -4.292 6.770 1083 HD13 LEU 135 HD13 LEU 135 15.066 -4.119 8.013 1084 HD21 LEU 135 HD21 LEU 135 16.201 -6.305 9.955 1085 HD22 LEU 135 HD22 LEU 135 15.536 -4.715 10.328 1086 HD23 LEU 135 HD23 LEU 135 17.171 -5.127 10.843 1087 H GLU 136 H GLU 136 20.721 -4.117 9.177 1088 HA GLU 136 HA GLU 136 23.105 -5.433 8.221 1089 HB2 GLU 136 HB2 GLU 136 24.276 -4.330 9.953 1090 HB3 GLU 136 HB3 GLU 136 23.075 -3.180 9.404 1091 HG2 GLU 136 HG2 GLU 136 22.796 -4.890 11.868 1092 HG3 GLU 136 HG3 GLU 136 23.414 -3.243 11.868 1093 H HIS 137 H HIS 137 20.448 -6.321 9.988 1094 HA HIS 137 HA HIS 137 19.723 -8.298 10.754 1095 HB2 HIS 137 HB2 HIS 137 22.533 -9.388 10.429 1096 HB3 HIS 137 HB3 HIS 137 21.091 -10.333 10.779 1097 HD1 HIS 137 HD1 HIS 137 23.152 -9.201 8.056 1098 HD2 HIS 137 HD2 HIS 137 19.135 -10.151 8.534 1099 HE1 HIS 137 HE1 HIS 137 22.266 -9.552 5.735 1100 HE2 HIS 137 HE2 HIS 137 19.884 -10.296 6.056 1101 H HIS 138 H HIS 138 21.643 -6.250 12.331 1102 HA HIS 138 HA HIS 138 21.977 -7.804 14.769 1103 HB2 HIS 138 HB2 HIS 138 23.625 -6.025 13.879 1104 HB3 HIS 138 HB3 HIS 138 22.471 -4.846 14.480 1105 HD1 HIS 138 HD1 HIS 138 24.938 -7.423 15.647 1106 HD2 HIS 138 HD2 HIS 138 22.471 -4.488 17.249 1107 HE1 HIS 138 HE1 HIS 138 25.653 -7.174 18.042 1108 HE2 HIS 138 HE2 HIS 138 24.320 -5.219 18.903 1109 H HIS 139 H HIS 139 19.762 -5.614 13.305 1110 HA HIS 139 HA HIS 139 18.376 -4.916 15.754 1111 HB2 HIS 139 HB2 HIS 139 18.161 -4.162 12.891 1112 HB3 HIS 139 HB3 HIS 139 16.709 -4.012 13.871 1113 HD1 HIS 139 HD1 HIS 139 19.641 -2.179 12.888 1114 HD2 HIS 139 HD2 HIS 139 17.242 -2.344 16.281 1115 HE1 HIS 139 HE1 HIS 139 20.048 -0.022 14.111 1116 HE2 HIS 139 HE2 HIS 139 18.395 -0.044 16.010 1117 H HIS 140 H HIS 140 18.468 -7.752 15.175 1118 HA HIS 140 HA HIS 140 15.776 -8.529 14.461 1119 HB2 HIS 140 HB2 HIS 140 16.484 -10.823 15.043 1120 HB3 HIS 140 HB3 HIS 140 17.600 -10.057 13.925 1121 HD1 HIS 140 HD1 HIS 140 20.027 -10.032 14.588 1122 HD2 HIS 140 HD2 HIS 140 17.537 -11.052 17.757 1123 HE1 HIS 140 HE1 HIS 140 21.554 -10.722 16.454 1124 HE2 HIS 140 HE2 HIS 140 20.021 -11.540 18.274 1125 H HIS 141 H HIS 141 17.005 -7.053 17.074 1126 HA HIS 141 HA HIS 141 15.753 -8.447 19.237 1127 HB2 HIS 141 HB2 HIS 141 17.050 -5.744 18.958 1128 HB3 HIS 141 HB3 HIS 141 16.229 -6.211 20.438 1129 HD1 HIS 141 HD1 HIS 141 17.665 -7.264 22.132 1130 HD2 HIS 141 HD2 HIS 141 19.248 -7.670 18.309 1131 HE1 HIS 141 HE1 HIS 141 19.907 -8.358 22.443 1132 HE2 HIS 141 HE2 HIS 141 20.913 -8.446 20.135 1133 H HIS 142 H HIS 142 14.852 -5.909 17.031 1134 HA HIS 142 HA HIS 142 12.248 -5.644 18.373 1135 HB2 HIS 142 HB2 HIS 142 13.783 -3.646 18.665 1136 HB3 HIS 142 HB3 HIS 142 13.714 -3.421 16.926 1137 HD1 HIS 142 HD1 HIS 142 12.593 -1.143 17.032 1138 HD2 HIS 142 HD2 HIS 142 10.439 -4.119 18.985 1139 HE1 HIS 142 HE1 HIS 142 10.357 -0.126 17.559 1140 HE2 HIS 142 HE2 HIS 142 9.110 -1.899 18.838 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -0.883 -11.314 12.209 2 H2 MET 1 H2 MET 1 -1.780 -10.698 10.915 3 H3 MET 1 H3 MET 1 -1.224 -9.658 12.130 4 HA MET 1 HA MET 1 1.065 -10.133 11.507 5 HB2 MET 1 HB2 MET 1 0.253 -12.399 10.470 6 HB3 MET 1 HB3 MET 1 -0.021 -11.444 9.020 7 HG2 MET 1 HG2 MET 1 2.634 -11.429 10.405 8 HG3 MET 1 HG3 MET 1 2.199 -12.712 9.285 9 HE1 MET 1 HE1 MET 1 1.965 -10.906 5.875 10 HE2 MET 1 HE2 MET 1 0.655 -11.391 6.954 11 HE3 MET 1 HE3 MET 1 2.043 -12.454 6.715 12 H LEU 2 H LEU 2 -1.525 -9.764 9.071 13 HA LEU 2 HA LEU 2 -0.474 -7.076 8.527 14 HB2 LEU 2 HB2 LEU 2 -1.196 -7.197 6.246 15 HB3 LEU 2 HB3 LEU 2 -0.208 -8.594 6.585 16 HG LEU 2 HG LEU 2 -3.228 -8.752 6.543 17 HD11 LEU 2 HD11 LEU 2 -2.476 -7.886 4.388 18 HD12 LEU 2 HD12 LEU 2 -3.037 -9.551 4.240 19 HD13 LEU 2 HD13 LEU 2 -1.308 -9.201 4.257 20 HD21 LEU 2 HD21 LEU 2 -2.830 -11.107 6.092 21 HD22 LEU 2 HD22 LEU 2 -2.039 -10.627 7.594 22 HD23 LEU 2 HD23 LEU 2 -1.087 -10.838 6.123 23 H LYS 3 H LYS 3 -2.356 -5.754 7.386 24 HA LYS 3 HA LYS 3 -4.278 -4.590 7.556 25 HB2 LYS 3 HB2 LYS 3 -5.376 -6.901 7.438 26 HB3 LYS 3 HB3 LYS 3 -5.540 -6.803 9.185 27 HG2 LYS 3 HG2 LYS 3 -6.850 -4.726 8.908 28 HG3 LYS 3 HG3 LYS 3 -6.736 -4.926 7.158 29 HD2 LYS 3 HD2 LYS 3 -7.961 -6.982 7.255 30 HD3 LYS 3 HD3 LYS 3 -7.950 -6.961 9.020 31 HE2 LYS 3 HE2 LYS 3 -9.298 -4.935 9.017 32 HE3 LYS 3 HE3 LYS 3 -9.269 -4.904 7.254 33 HZ1 LYS 3 HZ1 LYS 3 -11.332 -5.827 8.127 34 HZ2 LYS 3 HZ2 LYS 3 -10.469 -7.059 8.907 35 HZ3 LYS 3 HZ3 LYS 3 -10.482 -6.977 7.215 36 H THR 4 H THR 4 -2.126 -4.406 9.364 37 HA THR 4 HA THR 4 -3.423 -3.485 11.858 38 HB THR 4 HB THR 4 -0.453 -3.370 11.438 39 HG1 THR 4 HG1 THR 4 -0.765 -5.465 10.861 40 HG21 THR 4 HG21 THR 4 -0.426 -3.856 13.840 41 HG22 THR 4 HG22 THR 4 -2.182 -4.015 13.832 42 HG23 THR 4 HG23 THR 4 -1.438 -2.452 13.492 43 H ILE 5 H ILE 5 -1.446 -2.561 9.151 44 HA ILE 5 HA ILE 5 -1.490 0.257 9.814 45 HB ILE 5 HB ILE 5 -0.194 -1.428 7.692 46 HG12 ILE 5 HG12 ILE 5 0.869 -1.244 9.889 47 HG13 ILE 5 HG13 ILE 5 1.865 -0.544 8.618 48 HG21 ILE 5 HG21 ILE 5 0.809 0.561 6.667 49 HG22 ILE 5 HG22 ILE 5 -0.239 1.581 7.653 50 HG23 ILE 5 HG23 ILE 5 -0.941 0.499 6.448 51 HD11 ILE 5 HD11 ILE 5 1.164 1.686 9.288 52 HD12 ILE 5 HD12 ILE 5 1.895 0.809 10.635 53 HD13 ILE 5 HD13 ILE 5 0.143 0.991 10.547 54 H LEU 6 H LEU 6 -3.010 1.591 9.120 55 HA LEU 6 HA LEU 6 -4.712 0.727 6.904 56 HB2 LEU 6 HB2 LEU 6 -5.102 2.966 8.899 57 HB3 LEU 6 HB3 LEU 6 -6.165 2.661 7.547 58 HG LEU 6 HG LEU 6 -5.897 1.180 10.118 59 HD11 LEU 6 HD11 LEU 6 -7.641 2.839 9.799 60 HD12 LEU 6 HD12 LEU 6 -8.327 1.224 9.973 61 HD13 LEU 6 HD13 LEU 6 -8.223 1.971 8.378 62 HD21 LEU 6 HD21 LEU 6 -6.983 -0.091 7.604 63 HD22 LEU 6 HD22 LEU 6 -7.095 -0.749 9.237 64 HD23 LEU 6 HD23 LEU 6 -5.521 -0.583 8.458 65 H SER 7 H SER 7 -4.707 1.719 5.033 66 HA SER 7 HA SER 7 -2.593 3.624 4.483 67 HB2 SER 7 HB2 SER 7 -3.241 3.173 2.109 68 HB3 SER 7 HB3 SER 7 -2.810 1.716 3.004 69 HG SER 7 HG SER 7 -5.489 2.577 2.799 70 H ILE 8 H ILE 8 -2.932 5.693 4.261 71 HA ILE 8 HA ILE 8 -5.697 6.655 4.119 72 HB ILE 8 HB ILE 8 -3.480 7.588 5.952 73 HG12 ILE 8 HG12 ILE 8 -6.307 6.580 6.399 74 HG13 ILE 8 HG13 ILE 8 -4.814 5.734 6.770 75 HG21 ILE 8 HG21 ILE 8 -6.102 9.026 5.428 76 HG22 ILE 8 HG22 ILE 8 -4.499 9.600 4.968 77 HG23 ILE 8 HG23 ILE 8 -4.925 9.447 6.672 78 HD11 ILE 8 HD11 ILE 8 -5.848 6.542 8.784 79 HD12 ILE 8 HD12 ILE 8 -5.874 8.188 8.146 80 HD13 ILE 8 HD13 ILE 8 -4.332 7.406 8.507 81 H ALA 9 H ALA 9 -6.089 8.093 2.634 82 HA ALA 9 HA ALA 9 -3.864 8.918 0.923 83 HB1 ALA 9 HB1 ALA 9 -5.687 7.733 -0.191 84 HB2 ALA 9 HB2 ALA 9 -5.540 9.386 -0.788 85 HB3 ALA 9 HB3 ALA 9 -6.825 8.971 0.347 86 H GLY 10 H GLY 10 -3.050 10.565 2.077 87 HA2 GLY 10 HA2 GLY 10 -4.324 13.109 1.811 88 HA3 GLY 10 HA3 GLY 10 -4.273 12.559 3.481 89 H LYS 11 H LYS 11 -2.786 13.914 4.334 90 HA LYS 11 HA LYS 11 -0.273 14.263 2.932 91 HB2 LYS 11 HB2 LYS 11 -1.524 16.197 3.984 92 HB3 LYS 11 HB3 LYS 11 -1.048 15.553 5.548 93 HG2 LYS 11 HG2 LYS 11 1.237 15.950 5.124 94 HG3 LYS 11 HG3 LYS 11 0.941 16.263 3.412 95 HD2 LYS 11 HD2 LYS 11 -0.097 17.960 5.683 96 HD3 LYS 11 HD3 LYS 11 1.347 18.324 4.737 97 HE2 LYS 11 HE2 LYS 11 -0.057 18.382 2.695 98 HE3 LYS 11 HE3 LYS 11 -1.482 18.123 3.698 99 HZ1 LYS 11 HZ1 LYS 11 0.336 20.463 3.757 100 HZ2 LYS 11 HZ2 LYS 11 -0.905 20.203 4.875 101 HZ3 LYS 11 HZ3 LYS 11 -1.275 20.434 3.237 102 HA PRO 12 HA PRO 12 1.387 11.616 6.474 103 HB2 PRO 12 HB2 PRO 12 -0.414 11.056 8.600 104 HB3 PRO 12 HB3 PRO 12 1.001 12.108 8.647 105 HG2 PRO 12 HG2 PRO 12 -1.631 12.949 8.911 106 HG3 PRO 12 HG3 PRO 12 -0.259 13.986 8.485 107 HD2 PRO 12 HD2 PRO 12 -2.314 12.733 6.710 108 HD3 PRO 12 HD3 PRO 12 -1.566 14.343 6.615 109 H GLY 13 H GLY 13 1.339 9.899 5.137 110 HA2 GLY 13 HA2 GLY 13 -0.924 8.643 4.155 111 HA3 GLY 13 HA3 GLY 13 0.708 8.038 4.027 112 H LEU 14 H LEU 14 1.283 7.245 6.675 113 HA LEU 14 HA LEU 14 -0.744 5.116 6.836 114 HB2 LEU 14 HB2 LEU 14 2.238 4.803 7.041 115 HB3 LEU 14 HB3 LEU 14 1.074 3.524 7.336 116 HG LEU 14 HG LEU 14 1.443 4.959 4.701 117 HD11 LEU 14 HD11 LEU 14 2.382 2.850 3.945 118 HD12 LEU 14 HD12 LEU 14 2.254 2.209 5.583 119 HD13 LEU 14 HD13 LEU 14 3.333 3.563 5.248 120 HD21 LEU 14 HD21 LEU 14 -0.011 3.220 3.796 121 HD22 LEU 14 HD22 LEU 14 -0.846 4.167 5.028 122 HD23 LEU 14 HD23 LEU 14 -0.238 2.558 5.417 123 H TYR 15 H TYR 15 -1.399 4.345 8.684 124 HA TYR 15 HA TYR 15 -0.165 5.216 11.196 125 HB2 TYR 15 HB2 TYR 15 -3.000 5.697 10.320 126 HB3 TYR 15 HB3 TYR 15 -2.603 5.539 12.025 127 HD1 TYR 15 HD1 TYR 15 -0.658 7.088 12.851 128 HD2 TYR 15 HD2 TYR 15 -2.984 7.799 9.367 129 HE1 TYR 15 HE1 TYR 15 -0.101 9.473 12.980 130 HE2 TYR 15 HE2 TYR 15 -2.433 10.190 9.479 131 HH TYR 15 HH TYR 15 -1.706 11.837 11.147 132 H LYS 16 H LYS 16 -0.561 3.837 12.962 133 HA LYS 16 HA LYS 16 -1.549 1.167 12.306 134 HB2 LYS 16 HB2 LYS 16 -0.192 2.310 14.750 135 HB3 LYS 16 HB3 LYS 16 -0.848 0.680 14.706 136 HG2 LYS 16 HG2 LYS 16 0.642 0.164 12.821 137 HG3 LYS 16 HG3 LYS 16 1.336 1.779 12.957 138 HD2 LYS 16 HD2 LYS 16 2.066 1.277 15.230 139 HD3 LYS 16 HD3 LYS 16 1.348 -0.331 15.112 140 HE2 LYS 16 HE2 LYS 16 2.849 -0.784 13.178 141 HE3 LYS 16 HE3 LYS 16 3.636 0.764 13.485 142 HZ1 LYS 16 HZ1 LYS 16 4.892 -0.974 14.509 143 HZ2 LYS 16 HZ2 LYS 16 3.524 -1.568 15.315 144 HZ3 LYS 16 HZ3 LYS 16 4.164 -0.057 15.739 145 H LEU 17 H LEU 17 -3.663 0.793 12.501 146 HA LEU 17 HA LEU 17 -5.301 2.552 14.119 147 HB2 LEU 17 HB2 LEU 17 -5.814 1.633 11.763 148 HB3 LEU 17 HB3 LEU 17 -6.258 0.157 12.583 149 HG LEU 17 HG LEU 17 -7.939 2.241 11.926 150 HD11 LEU 17 HD11 LEU 17 -8.311 0.073 13.955 151 HD12 LEU 17 HD12 LEU 17 -8.579 -0.030 12.213 152 HD13 LEU 17 HD13 LEU 17 -9.604 1.010 13.204 153 HD21 LEU 17 HD21 LEU 17 -8.843 3.105 14.025 154 HD22 LEU 17 HD22 LEU 17 -7.186 3.648 13.755 155 HD23 LEU 17 HD23 LEU 17 -7.514 2.353 14.906 156 H ILE 18 H ILE 18 -5.552 2.225 16.138 157 HA ILE 18 HA ILE 18 -5.067 -0.371 17.359 158 HB ILE 18 HB ILE 18 -5.506 2.338 18.647 159 HG12 ILE 18 HG12 ILE 18 -2.878 0.888 18.297 160 HG13 ILE 18 HG13 ILE 18 -3.461 2.074 17.136 161 HG21 ILE 18 HG21 ILE 18 -4.532 1.308 20.652 162 HG22 ILE 18 HG22 ILE 18 -4.449 -0.240 19.812 163 HG23 ILE 18 HG23 ILE 18 -6.016 0.493 20.155 164 HD11 ILE 18 HD11 ILE 18 -1.860 3.049 18.681 165 HD12 ILE 18 HD12 ILE 18 -2.880 2.590 20.045 166 HD13 ILE 18 HD13 ILE 18 -3.452 3.782 18.877 167 H SER 19 H SER 19 -7.538 2.220 17.564 168 HA SER 19 HA SER 19 -9.542 0.216 18.281 169 HB2 SER 19 HB2 SER 19 -8.475 1.171 20.385 170 HB3 SER 19 HB3 SER 19 -9.129 2.739 19.914 171 HG SER 19 HG SER 19 -10.362 0.638 21.111 172 H GLN 20 H GLN 20 -11.742 1.027 18.038 173 HA GLN 20 HA GLN 20 -11.911 3.445 16.361 174 HB2 GLN 20 HB2 GLN 20 -13.577 0.928 16.173 175 HB3 GLN 20 HB3 GLN 20 -13.874 2.395 15.256 176 HG2 GLN 20 HG2 GLN 20 -11.706 2.142 14.154 177 HG3 GLN 20 HG3 GLN 20 -11.416 0.667 15.074 178 HE21 GLN 20 HE21 GLN 20 -11.589 1.080 12.197 179 HE22 GLN 20 HE22 GLN 20 -12.831 0.019 11.636 180 H GLY 21 H GLY 21 -13.274 4.975 17.016 181 HA2 GLY 21 HA2 GLY 21 -15.081 4.360 19.258 182 HA3 GLY 21 HA3 GLY 21 -14.406 5.949 18.919 183 H LYS 22 H LYS 22 -16.607 6.727 19.033 184 HA LYS 22 HA LYS 22 -18.244 6.025 16.677 185 HB2 LYS 22 HB2 LYS 22 -20.170 6.856 18.054 186 HB3 LYS 22 HB3 LYS 22 -19.359 5.463 18.755 187 HG2 LYS 22 HG2 LYS 22 -18.098 7.050 20.233 188 HG3 LYS 22 HG3 LYS 22 -19.127 8.342 19.618 189 HD2 LYS 22 HD2 LYS 22 -20.108 7.683 21.647 190 HD3 LYS 22 HD3 LYS 22 -21.094 6.927 20.396 191 HE2 LYS 22 HE2 LYS 22 -19.887 4.820 20.722 192 HE3 LYS 22 HE3 LYS 22 -18.894 5.580 21.966 193 HZ1 LYS 22 HZ1 LYS 22 -21.833 5.161 22.080 194 HZ2 LYS 22 HZ2 LYS 22 -20.921 5.963 23.261 195 HZ3 LYS 22 HZ3 LYS 22 -20.664 4.312 22.965 196 H ASN 23 H ASN 23 -16.209 7.693 16.239 197 HA ASN 23 HA ASN 23 -17.151 9.994 15.016 198 HB2 ASN 23 HB2 ASN 23 -17.349 10.615 17.623 199 HB3 ASN 23 HB3 ASN 23 -15.624 10.866 17.461 200 HD21 ASN 23 HD21 ASN 23 -15.818 11.896 14.704 201 HD22 ASN 23 HD22 ASN 23 -16.480 13.488 14.853 202 H MET 24 H MET 24 -14.534 9.065 17.178 203 HA MET 24 HA MET 24 -12.568 9.578 15.057 204 HB2 MET 24 HB2 MET 24 -11.004 10.115 17.043 205 HB3 MET 24 HB3 MET 24 -12.167 11.334 16.541 206 HG2 MET 24 HG2 MET 24 -13.590 10.838 18.360 207 HG3 MET 24 HG3 MET 24 -12.663 9.404 18.785 208 HE1 MET 24 HE1 MET 24 -10.525 9.358 20.087 209 HE2 MET 24 HE2 MET 24 -9.474 10.751 20.366 210 HE3 MET 24 HE3 MET 24 -9.740 10.152 18.726 211 H LEU 25 H LEU 25 -10.919 8.227 14.848 212 HA LEU 25 HA LEU 25 -11.015 5.690 16.290 213 HB2 LEU 25 HB2 LEU 25 -9.166 6.351 14.010 214 HB3 LEU 25 HB3 LEU 25 -9.705 4.777 14.548 215 HG LEU 25 HG LEU 25 -11.331 6.805 13.010 216 HD11 LEU 25 HD11 LEU 25 -9.673 5.680 11.669 217 HD12 LEU 25 HD12 LEU 25 -11.280 5.073 11.264 218 HD13 LEU 25 HD13 LEU 25 -10.200 4.113 12.279 219 HD21 LEU 25 HD21 LEU 25 -12.776 5.606 14.556 220 HD22 LEU 25 HD22 LEU 25 -12.130 4.066 13.988 221 HD23 LEU 25 HD23 LEU 25 -13.067 5.088 12.895 222 H ILE 26 H ILE 26 -8.928 4.806 16.971 223 HA ILE 26 HA ILE 26 -7.067 6.906 17.880 224 HB ILE 26 HB ILE 26 -7.463 4.091 18.942 225 HG12 ILE 26 HG12 ILE 26 -9.356 5.568 19.499 226 HG13 ILE 26 HG13 ILE 26 -8.451 5.099 20.931 227 HG21 ILE 26 HG21 ILE 26 -5.163 4.795 19.236 228 HG22 ILE 26 HG22 ILE 26 -5.982 4.762 20.798 229 HG23 ILE 26 HG23 ILE 26 -5.691 6.301 19.987 230 HD11 ILE 26 HD11 ILE 26 -9.127 7.431 21.025 231 HD12 ILE 26 HD12 ILE 26 -8.269 7.754 19.519 232 HD13 ILE 26 HD13 ILE 26 -7.370 7.290 20.963 233 H VAL 27 H VAL 27 -5.467 7.041 16.399 234 HA VAL 27 HA VAL 27 -4.283 4.508 15.463 235 HB VAL 27 HB VAL 27 -3.410 5.738 13.487 236 HG11 VAL 27 HG11 VAL 27 -6.402 5.742 13.761 237 HG12 VAL 27 HG12 VAL 27 -5.391 4.386 13.259 238 HG13 VAL 27 HG13 VAL 27 -5.511 5.821 12.241 239 HG21 VAL 27 HG21 VAL 27 -5.259 7.954 14.371 240 HG22 VAL 27 HG22 VAL 27 -4.388 7.885 12.839 241 HG23 VAL 27 HG23 VAL 27 -3.497 8.024 14.355 242 H GLU 28 H GLU 28 -1.955 4.491 15.207 243 HA GLU 28 HA GLU 28 -0.616 6.516 16.861 244 HB2 GLU 28 HB2 GLU 28 -0.571 4.157 17.722 245 HB3 GLU 28 HB3 GLU 28 0.286 3.686 16.262 246 HG2 GLU 28 HG2 GLU 28 1.951 5.571 17.018 247 HG3 GLU 28 HG3 GLU 28 1.236 5.254 18.600 248 H THR 29 H THR 29 1.021 7.648 15.994 249 HA THR 29 HA THR 29 1.677 7.442 13.220 250 HB THR 29 HB THR 29 3.294 8.897 15.326 251 HG1 THR 29 HG1 THR 29 0.898 9.691 14.000 252 HG21 THR 29 HG21 THR 29 2.788 9.493 12.404 253 HG22 THR 29 HG22 THR 29 4.259 8.770 13.057 254 HG23 THR 29 HG23 THR 29 3.819 10.421 13.494 255 H VAL 30 H VAL 30 3.008 5.973 12.367 256 HA VAL 30 HA VAL 30 4.428 4.122 13.993 257 HB VAL 30 HB VAL 30 4.850 4.350 11.026 258 HG11 VAL 30 HG11 VAL 30 4.878 1.903 11.147 259 HG12 VAL 30 HG12 VAL 30 4.575 1.991 12.883 260 HG13 VAL 30 HG13 VAL 30 6.079 2.628 12.218 261 HG21 VAL 30 HG21 VAL 30 2.796 3.071 10.618 262 HG22 VAL 30 HG22 VAL 30 2.452 4.656 11.313 263 HG23 VAL 30 HG23 VAL 30 2.371 3.215 12.325 264 H ASP 31 H ASP 31 5.251 7.141 12.618 265 HA ASP 31 HA ASP 31 8.082 6.669 12.382 266 HB2 ASP 31 HB2 ASP 31 6.513 8.271 11.016 267 HB3 ASP 31 HB3 ASP 31 6.799 9.380 12.351 268 H ALA 32 H ALA 32 9.084 9.152 13.445 269 HA ALA 32 HA ALA 32 9.365 8.287 16.197 270 HB1 ALA 32 HB1 ALA 32 11.212 9.842 16.277 271 HB2 ALA 32 HB2 ALA 32 10.753 10.501 14.708 272 HB3 ALA 32 HB3 ALA 32 11.311 8.832 14.835 273 H ALA 33 H ALA 33 6.861 9.209 15.853 274 HA ALA 33 HA ALA 33 6.823 11.530 17.652 275 HB1 ALA 33 HB1 ALA 33 4.775 10.858 15.530 276 HB2 ALA 33 HB2 ALA 33 5.917 12.200 15.467 277 HB3 ALA 33 HB3 ALA 33 4.651 12.175 16.695 278 H LYS 34 H LYS 34 5.369 8.598 16.488 279 HA LYS 34 HA LYS 34 3.871 7.104 17.240 280 HB2 LYS 34 HB2 LYS 34 5.860 7.299 19.475 281 HB3 LYS 34 HB3 LYS 34 4.611 6.060 19.426 282 HG2 LYS 34 HG2 LYS 34 5.555 5.680 17.003 283 HG3 LYS 34 HG3 LYS 34 6.996 6.420 17.699 284 HD2 LYS 34 HD2 LYS 34 7.181 4.729 19.341 285 HD3 LYS 34 HD3 LYS 34 5.575 4.093 18.970 286 HE2 LYS 34 HE2 LYS 34 8.007 4.033 17.185 287 HE3 LYS 34 HE3 LYS 34 7.267 2.659 18.003 288 HZ1 LYS 34 HZ1 LYS 34 6.611 2.716 15.692 289 HZ2 LYS 34 HZ2 LYS 34 6.024 4.295 15.858 290 HZ3 LYS 34 HZ3 LYS 34 5.254 3.023 16.668 291 H LYS 35 H LYS 35 2.594 9.436 17.518 292 HA LYS 35 HA LYS 35 1.525 9.578 20.224 293 HB2 LYS 35 HB2 LYS 35 0.396 11.657 19.361 294 HB3 LYS 35 HB3 LYS 35 2.155 11.701 19.354 295 HG2 LYS 35 HG2 LYS 35 2.224 11.337 16.994 296 HG3 LYS 35 HG3 LYS 35 0.484 11.054 16.939 297 HD2 LYS 35 HD2 LYS 35 1.710 13.649 17.836 298 HD3 LYS 35 HD3 LYS 35 1.257 13.321 16.164 299 HE2 LYS 35 HE2 LYS 35 -1.057 12.903 16.908 300 HE3 LYS 35 HE3 LYS 35 -0.580 13.314 18.556 301 HZ1 LYS 35 HZ1 LYS 35 -1.613 15.182 17.448 302 HZ2 LYS 35 HZ2 LYS 35 -0.455 15.130 16.210 303 HZ3 LYS 35 HZ3 LYS 35 0.011 15.527 17.792 304 H ARG 36 H ARG 36 -0.730 9.555 20.624 305 HA ARG 36 HA ARG 36 -2.174 7.830 18.782 306 HB2 ARG 36 HB2 ARG 36 -2.816 8.727 21.594 307 HB3 ARG 36 HB3 ARG 36 -3.896 7.733 20.618 308 HG2 ARG 36 HG2 ARG 36 -2.200 6.007 20.461 309 HG3 ARG 36 HG3 ARG 36 -1.074 7.010 21.371 310 HD2 ARG 36 HD2 ARG 36 -2.640 6.945 23.289 311 HD3 ARG 36 HD3 ARG 36 -3.662 5.833 22.375 312 HE ARG 36 HE ARG 36 -1.505 4.431 22.290 313 HH11 ARG 36 HH11 ARG 36 -2.528 6.370 25.043 314 HH12 ARG 36 HH12 ARG 36 -1.626 5.429 26.190 315 HH21 ARG 36 HH21 ARG 36 -0.333 3.215 23.801 316 HH22 ARG 36 HH22 ARG 36 -0.374 3.640 25.485 317 H VAL 37 H VAL 37 -2.717 8.978 17.139 318 HA VAL 37 HA VAL 37 -3.760 11.667 17.315 319 HB VAL 37 HB VAL 37 -3.657 9.968 14.819 320 HG11 VAL 37 HG11 VAL 37 -4.766 12.110 14.604 321 HG12 VAL 37 HG12 VAL 37 -3.256 12.098 13.690 322 HG13 VAL 37 HG13 VAL 37 -3.339 12.932 15.242 323 HG21 VAL 37 HG21 VAL 37 -1.465 9.747 15.849 324 HG22 VAL 37 HG22 VAL 37 -1.332 11.502 15.963 325 HG23 VAL 37 HG23 VAL 37 -1.384 10.722 14.382 326 HA PRO 38 HA PRO 38 -8.064 10.222 17.011 327 HB2 PRO 38 HB2 PRO 38 -8.712 12.995 16.455 328 HB3 PRO 38 HB3 PRO 38 -9.213 12.001 17.815 329 HG2 PRO 38 HG2 PRO 38 -7.474 14.086 18.038 330 HG3 PRO 38 HG3 PRO 38 -7.473 12.685 19.124 331 HD2 PRO 38 HD2 PRO 38 -5.657 13.333 16.856 332 HD3 PRO 38 HD3 PRO 38 -5.303 12.518 18.394 333 H ALA 39 H ALA 39 -8.301 9.206 15.140 334 HA ALA 39 HA ALA 39 -7.859 10.616 12.612 335 HB1 ALA 39 HB1 ALA 39 -6.782 8.428 12.858 336 HB2 ALA 39 HB2 ALA 39 -7.991 8.403 11.573 337 HB3 ALA 39 HB3 ALA 39 -8.356 7.687 13.142 338 H TYR 40 H TYR 40 -9.524 10.750 11.059 339 HA TYR 40 HA TYR 40 -12.179 10.176 12.170 340 HB2 TYR 40 HB2 TYR 40 -11.352 12.692 10.687 341 HB3 TYR 40 HB3 TYR 40 -13.012 12.285 11.112 342 HD1 TYR 40 HD1 TYR 40 -13.636 12.102 13.552 343 HD2 TYR 40 HD2 TYR 40 -9.908 13.711 12.280 344 HE1 TYR 40 HE1 TYR 40 -13.329 13.128 15.764 345 HE2 TYR 40 HE2 TYR 40 -9.591 14.740 14.489 346 HH TYR 40 HH TYR 40 -10.943 15.475 16.403 347 H ALA 41 H ALA 41 -13.688 9.381 10.825 348 HA ALA 41 HA ALA 41 -12.738 8.156 8.397 349 HB1 ALA 41 HB1 ALA 41 -14.899 7.041 8.358 350 HB2 ALA 41 HB2 ALA 41 -15.482 8.101 9.640 351 HB3 ALA 41 HB3 ALA 41 -14.183 6.956 9.970 352 H HIS 42 H HIS 42 -13.778 11.180 8.973 353 HA HIS 42 HA HIS 42 -15.395 11.836 6.741 354 HB2 HIS 42 HB2 HIS 42 -14.911 13.215 8.848 355 HB3 HIS 42 HB3 HIS 42 -13.364 13.618 8.122 356 HD1 HIS 42 HD1 HIS 42 -16.958 14.492 8.075 357 HD2 HIS 42 HD2 HIS 42 -13.549 15.378 5.863 358 HE1 HIS 42 HE1 HIS 42 -17.542 16.526 6.715 359 HE2 HIS 42 HE2 HIS 42 -15.416 17.133 5.504 360 H ASP 43 H ASP 43 -11.967 11.266 7.193 361 HA ASP 43 HA ASP 43 -11.320 12.263 4.524 362 HB2 ASP 43 HB2 ASP 43 -9.967 12.547 6.828 363 HB3 ASP 43 HB3 ASP 43 -9.249 11.036 6.281 364 H LYS 44 H LYS 44 -9.242 10.538 3.843 365 HA LYS 44 HA LYS 44 -10.800 8.243 2.955 366 HB2 LYS 44 HB2 LYS 44 -8.039 9.158 2.135 367 HB3 LYS 44 HB3 LYS 44 -8.932 7.839 1.399 368 HG2 LYS 44 HG2 LYS 44 -9.811 10.716 1.410 369 HG3 LYS 44 HG3 LYS 44 -8.978 9.918 0.076 370 HD2 LYS 44 HD2 LYS 44 -10.841 8.307 -0.086 371 HD3 LYS 44 HD3 LYS 44 -11.668 9.163 1.214 372 HE2 LYS 44 HE2 LYS 44 -10.887 10.380 -1.431 373 HE3 LYS 44 HE3 LYS 44 -12.494 9.773 -1.036 374 HZ1 LYS 44 HZ1 LYS 44 -12.296 12.187 -0.767 375 HZ2 LYS 44 HZ2 LYS 44 -11.106 11.961 0.418 376 HZ3 LYS 44 HZ3 LYS 44 -12.687 11.415 0.691 377 H VAL 45 H VAL 45 -10.888 6.929 4.742 378 HA VAL 45 HA VAL 45 -8.323 5.900 5.747 379 HB VAL 45 HB VAL 45 -11.050 5.678 7.063 380 HG11 VAL 45 HG11 VAL 45 -9.529 3.888 7.702 381 HG12 VAL 45 HG12 VAL 45 -9.805 4.992 9.050 382 HG13 VAL 45 HG13 VAL 45 -8.298 5.074 8.137 383 HG21 VAL 45 HG21 VAL 45 -8.775 7.546 7.729 384 HG22 VAL 45 HG22 VAL 45 -10.258 7.356 8.663 385 HG23 VAL 45 HG23 VAL 45 -10.325 8.007 7.025 386 H ILE 46 H ILE 46 -7.784 4.230 4.563 387 HA ILE 46 HA ILE 46 -9.745 2.087 3.981 388 HB ILE 46 HB ILE 46 -7.300 2.880 2.329 389 HG12 ILE 46 HG12 ILE 46 -9.057 4.591 2.142 390 HG13 ILE 46 HG13 ILE 46 -8.825 3.735 0.624 391 HG21 ILE 46 HG21 ILE 46 -9.474 0.907 1.642 392 HG22 ILE 46 HG22 ILE 46 -7.817 0.510 2.098 393 HG23 ILE 46 HG23 ILE 46 -8.134 1.381 0.596 394 HD11 ILE 46 HD11 ILE 46 -10.834 2.407 1.082 395 HD12 ILE 46 HD12 ILE 46 -11.178 4.136 1.045 396 HD13 ILE 46 HD13 ILE 46 -11.065 3.291 2.590 397 H SER 47 H SER 47 -8.760 -0.126 4.180 398 HA SER 47 HA SER 47 -6.465 -0.243 5.944 399 HB2 SER 47 HB2 SER 47 -8.249 -1.842 6.302 400 HB3 SER 47 HB3 SER 47 -8.143 -2.404 4.635 401 HG SER 47 HG SER 47 -7.021 -3.864 5.803 402 H LEU 48 H LEU 48 -4.387 -0.825 5.380 403 HA LEU 48 HA LEU 48 -3.567 -0.539 2.644 404 HB2 LEU 48 HB2 LEU 48 -2.278 0.159 4.708 405 HB3 LEU 48 HB3 LEU 48 -1.990 -1.523 5.051 406 HG LEU 48 HG LEU 48 -0.102 -0.096 4.037 407 HD11 LEU 48 HD11 LEU 48 0.100 -2.485 4.311 408 HD12 LEU 48 HD12 LEU 48 0.819 -1.972 2.782 409 HD13 LEU 48 HD13 LEU 48 -0.764 -2.753 2.796 410 HD21 LEU 48 HD21 LEU 48 -1.636 -0.678 1.516 411 HD22 LEU 48 HD22 LEU 48 -0.001 -0.022 1.609 412 HD23 LEU 48 HD23 LEU 48 -1.362 0.913 2.229 413 H ALA 49 H ALA 49 -4.265 -3.204 4.763 414 HA ALA 49 HA ALA 49 -3.196 -5.214 3.022 415 HB1 ALA 49 HB1 ALA 49 -3.236 -5.508 5.428 416 HB2 ALA 49 HB2 ALA 49 -4.119 -6.789 4.597 417 HB3 ALA 49 HB3 ALA 49 -4.999 -5.486 5.398 418 H ASP 50 H ASP 50 -5.991 -3.350 2.948 419 HA ASP 50 HA ASP 50 -7.929 -5.331 2.175 420 HB2 ASP 50 HB2 ASP 50 -8.485 -3.163 3.307 421 HB3 ASP 50 HB3 ASP 50 -8.061 -2.329 1.818 422 H ILE 51 H ILE 51 -5.899 -2.976 0.492 423 HA ILE 51 HA ILE 51 -7.075 -3.228 -2.057 424 HB ILE 51 HB ILE 51 -4.234 -2.362 -1.428 425 HG12 ILE 51 HG12 ILE 51 -5.759 -0.119 -2.096 426 HG13 ILE 51 HG13 ILE 51 -6.787 -1.041 -1.002 427 HG21 ILE 51 HG21 ILE 51 -4.527 -2.887 -3.791 428 HG22 ILE 51 HG22 ILE 51 -4.326 -1.151 -3.557 429 HG23 ILE 51 HG23 ILE 51 -5.929 -1.819 -3.866 430 HD11 ILE 51 HD11 ILE 51 -3.976 -0.134 -0.431 431 HD12 ILE 51 HD12 ILE 51 -5.027 -1.026 0.673 432 HD13 ILE 51 HD13 ILE 51 -5.454 0.614 0.179 433 H ALA 52 H ALA 52 -6.565 -4.520 -3.803 434 HA ALA 52 HA ALA 52 -4.548 -6.611 -3.459 435 HB1 ALA 52 HB1 ALA 52 -6.104 -8.351 -4.191 436 HB2 ALA 52 HB2 ALA 52 -7.413 -7.170 -4.239 437 HB3 ALA 52 HB3 ALA 52 -6.661 -7.593 -2.699 438 H MET 53 H MET 53 -4.029 -7.715 -5.468 439 HA MET 53 HA MET 53 -4.779 -6.327 -7.921 440 HB2 MET 53 HB2 MET 53 -1.981 -6.689 -6.905 441 HB3 MET 53 HB3 MET 53 -2.275 -6.846 -8.626 442 HG2 MET 53 HG2 MET 53 -1.616 -4.654 -8.377 443 HG3 MET 53 HG3 MET 53 -3.371 -4.547 -8.454 444 HE1 MET 53 HE1 MET 53 -3.197 -2.059 -7.521 445 HE2 MET 53 HE2 MET 53 -1.445 -2.247 -7.477 446 HE3 MET 53 HE3 MET 53 -2.302 -1.643 -6.059 447 H TYR 54 H TYR 54 -5.373 -7.770 -9.395 448 HA TYR 54 HA TYR 54 -4.806 -10.588 -8.887 449 HB2 TYR 54 HB2 TYR 54 -6.773 -9.228 -10.731 450 HB3 TYR 54 HB3 TYR 54 -6.489 -10.962 -10.735 451 HD1 TYR 54 HD1 TYR 54 -7.636 -8.163 -8.573 452 HD2 TYR 54 HD2 TYR 54 -7.640 -12.352 -9.274 453 HE1 TYR 54 HE1 TYR 54 -9.332 -8.442 -6.826 454 HE2 TYR 54 HE2 TYR 54 -9.335 -12.651 -7.524 455 HH TYR 54 HH TYR 54 -10.123 -11.484 -5.512 456 H THR 55 H THR 55 -3.366 -11.642 -10.023 457 HA THR 55 HA THR 55 -2.373 -10.428 -12.501 458 HB THR 55 HB THR 55 -0.670 -10.792 -10.762 459 HG1 THR 55 HG1 THR 55 0.769 -11.391 -12.189 460 HG21 THR 55 HG21 THR 55 0.018 -13.038 -10.063 461 HG22 THR 55 HG22 THR 55 -1.331 -13.724 -10.968 462 HG23 THR 55 HG23 THR 55 -1.640 -12.682 -9.581 463 H ASP 56 H ASP 56 -1.407 -12.771 -13.782 464 HA ASP 56 HA ASP 56 -3.825 -13.944 -14.777 465 HB2 ASP 56 HB2 ASP 56 -1.792 -13.537 -16.173 466 HB3 ASP 56 HB3 ASP 56 -0.963 -14.806 -15.281 467 H ALA 57 H ALA 57 -1.476 -14.782 -12.399 468 HA ALA 57 HA ALA 57 -2.680 -17.367 -11.811 469 HB1 ALA 57 HB1 ALA 57 -0.937 -17.507 -10.076 470 HB2 ALA 57 HB2 ALA 57 -0.435 -15.859 -10.455 471 HB3 ALA 57 HB3 ALA 57 -0.250 -17.138 -11.655 472 H GLU 58 H GLU 58 -2.424 -17.178 -8.933 473 HA GLU 58 HA GLU 58 -5.008 -16.262 -8.267 474 HB2 GLU 58 HB2 GLU 58 -2.692 -17.020 -6.487 475 HB3 GLU 58 HB3 GLU 58 -4.323 -16.713 -5.906 476 HG2 GLU 58 HG2 GLU 58 -5.132 -18.559 -7.325 477 HG3 GLU 58 HG3 GLU 58 -3.463 -18.892 -7.789 478 H GLU 59 H GLU 59 -5.524 -14.800 -6.435 479 HA GLU 59 HA GLU 59 -4.512 -12.198 -7.016 480 HB2 GLU 59 HB2 GLU 59 -6.114 -11.414 -5.300 481 HB3 GLU 59 HB3 GLU 59 -6.849 -12.396 -6.555 482 HG2 GLU 59 HG2 GLU 59 -6.951 -14.292 -5.052 483 HG3 GLU 59 HG3 GLU 59 -6.124 -13.368 -3.796 484 H VAL 60 H VAL 60 -3.238 -10.912 -5.911 485 HA VAL 60 HA VAL 60 -2.230 -11.800 -3.303 486 HB VAL 60 HB VAL 60 -0.053 -10.542 -3.994 487 HG11 VAL 60 HG11 VAL 60 -0.720 -13.221 -5.213 488 HG12 VAL 60 HG12 VAL 60 -0.127 -12.936 -3.576 489 HG13 VAL 60 HG13 VAL 60 0.905 -12.583 -4.962 490 HG21 VAL 60 HG21 VAL 60 -1.149 -11.215 -6.725 491 HG22 VAL 60 HG22 VAL 60 0.497 -10.681 -6.382 492 HG23 VAL 60 HG23 VAL 60 -0.862 -9.596 -6.090 493 HA PRO 61 HA PRO 61 -3.714 -7.798 -1.967 494 HB2 PRO 61 HB2 PRO 61 -1.687 -8.001 0.165 495 HB3 PRO 61 HB3 PRO 61 -3.442 -7.853 0.294 496 HG2 PRO 61 HG2 PRO 61 -2.182 -10.150 0.852 497 HG3 PRO 61 HG3 PRO 61 -3.780 -10.129 0.081 498 HD2 PRO 61 HD2 PRO 61 -1.087 -10.594 -1.134 499 HD3 PRO 61 HD3 PRO 61 -2.632 -11.399 -1.476 500 H LEU 62 H LEU 62 -2.831 -5.647 -1.241 501 HA LEU 62 HA LEU 62 -0.900 -4.659 -3.020 502 HB2 LEU 62 HB2 LEU 62 -2.715 -3.303 -1.867 503 HB3 LEU 62 HB3 LEU 62 -1.692 -3.290 -0.447 504 HG LEU 62 HG LEU 62 0.055 -2.087 -1.706 505 HD11 LEU 62 HD11 LEU 62 -1.950 -2.109 -3.950 506 HD12 LEU 62 HD12 LEU 62 -0.433 -3.010 -3.911 507 HD13 LEU 62 HD13 LEU 62 -0.413 -1.246 -3.939 508 HD21 LEU 62 HD21 LEU 62 -1.121 0.036 -2.088 509 HD22 LEU 62 HD22 LEU 62 -1.566 -0.711 -0.548 510 HD23 LEU 62 HD23 LEU 62 -2.662 -0.809 -1.931 511 H SER 63 H SER 63 -0.697 -5.780 0.276 512 HA SER 63 HA SER 63 1.887 -5.033 0.977 513 HB2 SER 63 HB2 SER 63 0.467 -7.618 1.674 514 HB3 SER 63 HB3 SER 63 1.800 -6.885 2.567 515 HG SER 63 HG SER 63 0.136 -6.089 3.647 516 H GLU 64 H GLU 64 0.801 -7.931 -0.799 517 HA GLU 64 HA GLU 64 3.413 -9.064 -0.931 518 HB2 GLU 64 HB2 GLU 64 0.847 -9.750 -2.350 519 HB3 GLU 64 HB3 GLU 64 2.340 -10.653 -2.573 520 HG2 GLU 64 HG2 GLU 64 0.820 -10.300 0.001 521 HG3 GLU 64 HG3 GLU 64 0.923 -11.768 -0.974 522 H VAL 65 H VAL 65 1.583 -6.952 -3.058 523 HA VAL 65 HA VAL 65 3.473 -7.333 -5.211 524 HB VAL 65 HB VAL 65 2.199 -5.709 -6.493 525 HG11 VAL 65 HG11 VAL 65 0.442 -7.725 -5.120 526 HG12 VAL 65 HG12 VAL 65 1.496 -8.025 -6.502 527 HG13 VAL 65 HG13 VAL 65 0.111 -6.944 -6.666 528 HG21 VAL 65 HG21 VAL 65 0.464 -5.389 -4.050 529 HG22 VAL 65 HG22 VAL 65 0.102 -4.755 -5.656 530 HG23 VAL 65 HG23 VAL 65 1.503 -4.155 -4.765 531 H LEU 66 H LEU 66 3.104 -5.147 -2.536 532 HA LEU 66 HA LEU 66 4.790 -3.032 -3.326 533 HB2 LEU 66 HB2 LEU 66 4.402 -4.273 -0.596 534 HB3 LEU 66 HB3 LEU 66 5.334 -2.821 -0.875 535 HG LEU 66 HG LEU 66 2.402 -3.040 -1.521 536 HD11 LEU 66 HD11 LEU 66 2.044 -1.824 0.582 537 HD12 LEU 66 HD12 LEU 66 3.756 -2.017 0.966 538 HD13 LEU 66 HD13 LEU 66 2.712 -3.436 0.845 539 HD21 LEU 66 HD21 LEU 66 3.647 -1.267 -2.666 540 HD22 LEU 66 HD22 LEU 66 4.194 -0.659 -1.101 541 HD23 LEU 66 HD23 LEU 66 2.475 -0.635 -1.508 542 H GLU 67 H GLU 67 5.507 -6.057 -1.667 543 HA GLU 67 HA GLU 67 8.305 -5.597 -1.448 544 HB2 GLU 67 HB2 GLU 67 6.807 -7.001 0.060 545 HB3 GLU 67 HB3 GLU 67 6.876 -8.242 -1.177 546 HG2 GLU 67 HG2 GLU 67 8.445 -8.431 0.822 547 HG3 GLU 67 HG3 GLU 67 9.109 -8.688 -0.775 548 H ALA 68 H ALA 68 6.288 -7.118 -3.872 549 HA ALA 68 HA ALA 68 8.260 -8.613 -5.221 550 HB1 ALA 68 HB1 ALA 68 5.862 -8.911 -5.583 551 HB2 ALA 68 HB2 ALA 68 6.718 -8.627 -7.100 552 HB3 ALA 68 HB3 ALA 68 5.786 -7.327 -6.355 553 H VAL 69 H VAL 69 7.049 -5.302 -5.899 554 HA VAL 69 HA VAL 69 9.100 -4.865 -7.864 555 HB VAL 69 HB VAL 69 8.276 -2.459 -7.900 556 HG11 VAL 69 HG11 VAL 69 6.329 -4.667 -8.530 557 HG12 VAL 69 HG12 VAL 69 7.642 -4.107 -9.565 558 HG13 VAL 69 HG13 VAL 69 6.290 -3.035 -9.197 559 HG21 VAL 69 HG21 VAL 69 6.025 -2.057 -7.019 560 HG22 VAL 69 HG22 VAL 69 7.187 -2.363 -5.726 561 HG23 VAL 69 HG23 VAL 69 6.061 -3.629 -6.220 562 H LYS 70 H LYS 70 8.807 -4.247 -4.477 563 HA LYS 70 HA LYS 70 10.930 -2.398 -4.188 564 HB2 LYS 70 HB2 LYS 70 9.280 -2.748 -2.426 565 HB3 LYS 70 HB3 LYS 70 9.803 -4.413 -2.228 566 HG2 LYS 70 HG2 LYS 70 11.928 -3.687 -1.378 567 HG3 LYS 70 HG3 LYS 70 11.513 -2.000 -1.691 568 HD2 LYS 70 HD2 LYS 70 10.018 -1.908 0.052 569 HD3 LYS 70 HD3 LYS 70 9.714 -3.648 0.019 570 HE2 LYS 70 HE2 LYS 70 12.271 -2.343 0.943 571 HE3 LYS 70 HE3 LYS 70 10.995 -2.943 2.003 572 HZ1 LYS 70 HZ1 LYS 70 12.729 -4.581 1.807 573 HZ2 LYS 70 HZ2 LYS 70 12.617 -4.568 0.122 574 HZ3 LYS 70 HZ3 LYS 70 11.328 -5.162 1.044 575 H LYS 71 H LYS 71 10.858 -5.916 -4.431 576 HA LYS 71 HA LYS 71 13.589 -6.377 -3.767 577 HB2 LYS 71 HB2 LYS 71 11.463 -7.947 -5.159 578 HB3 LYS 71 HB3 LYS 71 13.124 -8.518 -5.206 579 HG2 LYS 71 HG2 LYS 71 11.485 -8.009 -2.729 580 HG3 LYS 71 HG3 LYS 71 11.848 -9.586 -3.431 581 HD2 LYS 71 HD2 LYS 71 14.247 -9.175 -3.055 582 HD3 LYS 71 HD3 LYS 71 13.848 -7.628 -2.303 583 HE2 LYS 71 HE2 LYS 71 12.513 -8.828 -0.612 584 HE3 LYS 71 HE3 LYS 71 12.992 -10.357 -1.347 585 HZ1 LYS 71 HZ1 LYS 71 14.794 -8.375 -0.073 586 HZ2 LYS 71 HZ2 LYS 71 15.309 -9.783 -0.862 587 HZ3 LYS 71 HZ3 LYS 71 14.367 -9.896 0.543 588 H LYS 72 H LYS 72 11.968 -5.362 -6.685 589 HA LYS 72 HA LYS 72 14.118 -5.667 -8.522 590 HB2 LYS 72 HB2 LYS 72 11.902 -5.341 -9.360 591 HB3 LYS 72 HB3 LYS 72 11.693 -3.865 -8.434 592 HG2 LYS 72 HG2 LYS 72 13.808 -3.200 -9.986 593 HG3 LYS 72 HG3 LYS 72 12.928 -4.297 -11.055 594 HD2 LYS 72 HD2 LYS 72 10.907 -2.991 -10.778 595 HD3 LYS 72 HD3 LYS 72 11.718 -1.940 -9.617 596 HE2 LYS 72 HE2 LYS 72 12.463 -2.250 -12.525 597 HE3 LYS 72 HE3 LYS 72 11.553 -0.908 -11.834 598 HZ1 LYS 72 HZ1 LYS 72 13.824 -0.264 -12.079 599 HZ2 LYS 72 HZ2 LYS 72 14.373 -1.631 -11.246 600 HZ3 LYS 72 HZ3 LYS 72 13.506 -0.428 -10.420 601 H GLU 73 H GLU 73 13.266 -3.227 -6.159 602 HA GLU 73 HA GLU 73 15.377 -1.385 -6.927 603 HB2 GLU 73 HB2 GLU 73 13.488 -1.349 -4.558 604 HB3 GLU 73 HB3 GLU 73 14.565 -0.041 -5.020 605 HG2 GLU 73 HG2 GLU 73 12.326 -1.102 -6.722 606 HG3 GLU 73 HG3 GLU 73 12.208 0.312 -5.676 607 H ASN 74 H ASN 74 15.835 -4.204 -5.862 608 HA ASN 74 HA ASN 74 17.416 -5.360 -4.758 609 HB2 ASN 74 HB2 ASN 74 18.715 -3.056 -5.382 610 HB3 ASN 74 HB3 ASN 74 18.864 -3.043 -3.628 611 HD21 ASN 74 HD21 ASN 74 20.981 -3.314 -5.506 612 HD22 ASN 74 HD22 ASN 74 21.722 -4.854 -5.237 613 H GLY 75 H GLY 75 14.969 -4.407 -3.420 614 HA2 GLY 75 HA2 GLY 75 14.004 -4.791 -1.365 615 HA3 GLY 75 HA3 GLY 75 15.584 -5.231 -0.743 616 H ALA 76 H ALA 76 15.165 -2.119 -2.262 617 HA ALA 76 HA ALA 76 15.535 -0.895 0.395 618 HB1 ALA 76 HB1 ALA 76 16.915 0.790 -0.693 619 HB2 ALA 76 HB2 ALA 76 16.633 0.024 -2.258 620 HB3 ALA 76 HB3 ALA 76 17.538 -0.830 -1.008 621 H VAL 77 H VAL 77 15.276 1.749 -0.205 622 HA VAL 77 HA VAL 77 12.476 2.184 -0.530 623 HB VAL 77 HB VAL 77 14.687 4.262 -0.656 624 HG11 VAL 77 HG11 VAL 77 12.982 5.798 0.203 625 HG12 VAL 77 HG12 VAL 77 11.787 4.504 0.127 626 HG13 VAL 77 HG13 VAL 77 12.529 5.109 -1.355 627 HG21 VAL 77 HG21 VAL 77 14.969 2.963 1.376 628 HG22 VAL 77 HG22 VAL 77 13.274 3.210 1.790 629 HG23 VAL 77 HG23 VAL 77 14.382 4.582 1.754 630 H ALA 78 H ALA 78 11.362 2.682 -2.357 631 HA ALA 78 HA ALA 78 12.424 2.207 -4.901 632 HB1 ALA 78 HB1 ALA 78 10.064 1.928 -4.338 633 HB2 ALA 78 HB2 ALA 78 10.288 2.953 -5.757 634 HB3 ALA 78 HB3 ALA 78 9.897 3.678 -4.198 635 H SER 79 H SER 79 13.105 3.463 -6.532 636 HA SER 79 HA SER 79 13.919 6.193 -5.825 637 HB2 SER 79 HB2 SER 79 14.830 4.545 -8.187 638 HB3 SER 79 HB3 SER 79 15.650 5.917 -7.441 639 HG SER 79 HG SER 79 15.219 3.356 -6.275 640 H ILE 80 H ILE 80 11.238 5.163 -6.959 641 HA ILE 80 HA ILE 80 11.105 6.681 -9.457 642 HB ILE 80 HB ILE 80 10.337 4.415 -9.696 643 HG12 ILE 80 HG12 ILE 80 7.884 6.183 -9.588 644 HG13 ILE 80 HG13 ILE 80 9.063 6.190 -10.894 645 HG21 ILE 80 HG21 ILE 80 8.480 3.467 -8.415 646 HG22 ILE 80 HG22 ILE 80 8.427 4.925 -7.423 647 HG23 ILE 80 HG23 ILE 80 9.853 3.886 -7.387 648 HD11 ILE 80 HD11 ILE 80 8.513 3.898 -11.432 649 HD12 ILE 80 HD12 ILE 80 7.060 4.902 -11.445 650 HD13 ILE 80 HD13 ILE 80 7.387 3.831 -10.074 651 H ASN 81 H ASN 81 9.870 8.461 -9.675 652 HA ASN 81 HA ASN 81 8.482 9.438 -7.274 653 HB2 ASN 81 HB2 ASN 81 9.918 10.926 -9.471 654 HB3 ASN 81 HB3 ASN 81 8.829 11.728 -8.342 655 HD21 ASN 81 HD21 ASN 81 11.881 10.092 -8.719 656 HD22 ASN 81 HD22 ASN 81 12.549 10.572 -7.196 657 H TYR 82 H TYR 82 6.367 9.556 -7.382 658 HA TYR 82 HA TYR 82 5.105 8.684 -9.830 659 HB2 TYR 82 HB2 TYR 82 3.129 8.262 -8.488 660 HB3 TYR 82 HB3 TYR 82 4.547 7.611 -7.679 661 HD1 TYR 82 HD1 TYR 82 5.585 9.136 -5.810 662 HD2 TYR 82 HD2 TYR 82 1.627 9.567 -7.303 663 HE1 TYR 82 HE1 TYR 82 4.957 10.340 -3.770 664 HE2 TYR 82 HE2 TYR 82 0.992 10.779 -5.265 665 HH TYR 82 HH TYR 82 1.745 10.983 -2.938 666 H LYS 83 H LYS 83 5.290 11.682 -8.055 667 HA LYS 83 HA LYS 83 3.129 12.818 -9.668 668 HB2 LYS 83 HB2 LYS 83 4.724 14.038 -7.412 669 HB3 LYS 83 HB3 LYS 83 3.510 14.914 -8.336 670 HG2 LYS 83 HG2 LYS 83 1.870 13.140 -7.640 671 HG3 LYS 83 HG3 LYS 83 3.107 12.539 -6.543 672 HD2 LYS 83 HD2 LYS 83 2.078 15.371 -6.474 673 HD3 LYS 83 HD3 LYS 83 1.357 14.066 -5.542 674 HE2 LYS 83 HE2 LYS 83 2.778 14.961 -3.981 675 HE3 LYS 83 HE3 LYS 83 3.821 13.732 -4.690 676 HZ1 LYS 83 HZ1 LYS 83 4.859 15.957 -4.382 677 HZ2 LYS 83 HZ2 LYS 83 3.807 16.563 -5.565 678 HZ3 LYS 83 HZ3 LYS 83 4.936 15.367 -5.968 679 H LYS 84 H LYS 84 6.509 12.574 -9.659 680 HA LYS 84 HA LYS 84 7.013 14.713 -11.494 681 HB2 LYS 84 HB2 LYS 84 8.679 13.583 -9.933 682 HB3 LYS 84 HB3 LYS 84 8.664 12.225 -11.047 683 HG2 LYS 84 HG2 LYS 84 9.277 14.037 -12.818 684 HG3 LYS 84 HG3 LYS 84 9.794 14.960 -11.406 685 HD2 LYS 84 HD2 LYS 84 11.725 13.824 -12.072 686 HD3 LYS 84 HD3 LYS 84 11.087 12.840 -10.749 687 HE2 LYS 84 HE2 LYS 84 10.085 11.305 -12.330 688 HE3 LYS 84 HE3 LYS 84 10.605 12.309 -13.683 689 HZ1 LYS 84 HZ1 LYS 84 12.113 10.505 -13.478 690 HZ2 LYS 84 HZ2 LYS 84 12.322 10.769 -11.820 691 HZ3 LYS 84 HZ3 LYS 84 12.928 11.891 -12.937 692 H ALA 85 H ALA 85 6.025 11.360 -11.696 693 HA ALA 85 HA ALA 85 6.354 11.383 -14.618 694 HB1 ALA 85 HB1 ALA 85 6.293 9.027 -12.731 695 HB2 ALA 85 HB2 ALA 85 7.731 9.710 -13.491 696 HB3 ALA 85 HB3 ALA 85 6.491 8.942 -14.482 697 H SER 86 H SER 86 4.766 9.530 -15.514 698 HA SER 86 HA SER 86 2.079 10.262 -14.568 699 HB2 SER 86 HB2 SER 86 2.733 11.057 -16.854 700 HB3 SER 86 HB3 SER 86 2.901 9.375 -17.350 701 HG SER 86 HG SER 86 0.875 9.962 -17.931 702 H ALA 87 H ALA 87 0.401 8.565 -14.944 703 HA ALA 87 HA ALA 87 1.134 6.231 -13.522 704 HB1 ALA 87 HB1 ALA 87 -1.446 6.759 -14.976 705 HB2 ALA 87 HB2 ALA 87 -1.063 7.299 -13.341 706 HB3 ALA 87 HB3 ALA 87 -1.177 5.575 -13.697 707 H ASP 88 H ASP 88 0.979 6.830 -16.919 708 HA ASP 88 HA ASP 88 0.585 4.274 -17.971 709 HB2 ASP 88 HB2 ASP 88 0.564 6.277 -19.344 710 HB3 ASP 88 HB3 ASP 88 2.261 6.573 -18.997 711 H GLU 89 H GLU 89 3.686 5.873 -17.173 712 HA GLU 89 HA GLU 89 5.157 3.442 -17.631 713 HB2 GLU 89 HB2 GLU 89 7.140 4.674 -17.005 714 HB3 GLU 89 HB3 GLU 89 6.190 5.600 -18.153 715 HG2 GLU 89 HG2 GLU 89 5.605 7.186 -16.591 716 HG3 GLU 89 HG3 GLU 89 5.903 6.103 -15.228 717 H LEU 90 H LEU 90 3.695 4.999 -14.891 718 HA LEU 90 HA LEU 90 4.999 3.701 -12.777 719 HB2 LEU 90 HB2 LEU 90 2.454 5.090 -13.195 720 HB3 LEU 90 HB3 LEU 90 2.383 3.871 -11.946 721 HG LEU 90 HG LEU 90 2.826 6.163 -11.099 722 HD11 LEU 90 HD11 LEU 90 4.627 5.534 -9.579 723 HD12 LEU 90 HD12 LEU 90 5.012 4.155 -10.611 724 HD13 LEU 90 HD13 LEU 90 3.453 4.233 -9.787 725 HD21 LEU 90 HD21 LEU 90 4.227 7.000 -12.919 726 HD22 LEU 90 HD22 LEU 90 5.499 5.864 -12.466 727 HD23 LEU 90 HD23 LEU 90 5.034 7.155 -11.358 728 H HIS 91 H HIS 91 2.390 2.576 -14.899 729 HA HIS 91 HA HIS 91 2.039 0.111 -13.456 730 HB2 HIS 91 HB2 HIS 91 0.925 1.206 -16.015 731 HB3 HIS 91 HB3 HIS 91 0.718 -0.494 -15.616 732 HD1 HIS 91 HD1 HIS 91 -1.155 2.442 -15.472 733 HD2 HIS 91 HD2 HIS 91 -0.328 -0.529 -12.686 734 HE1 HIS 91 HE1 HIS 91 -2.994 2.584 -13.761 735 HE2 HIS 91 HE2 HIS 91 -2.415 0.847 -12.023 736 H ALA 92 H ALA 92 4.017 1.196 -16.124 737 HA ALA 92 HA ALA 92 4.711 -1.456 -17.018 738 HB1 ALA 92 HB1 ALA 92 4.737 0.446 -18.560 739 HB2 ALA 92 HB2 ALA 92 6.312 -0.344 -18.475 740 HB3 ALA 92 HB3 ALA 92 6.045 1.180 -17.631 741 H TYR 93 H TYR 93 5.936 0.823 -14.703 742 HA TYR 93 HA TYR 93 8.382 -0.405 -14.014 743 HB2 TYR 93 HB2 TYR 93 7.957 1.798 -13.231 744 HB3 TYR 93 HB3 TYR 93 6.400 1.347 -12.559 745 HD1 TYR 93 HD2 TYR 93 10.064 0.926 -12.073 746 HD2 TYR 93 HD1 TYR 93 6.203 0.761 -10.293 747 HE1 TYR 93 HE2 TYR 93 11.100 0.685 -9.855 748 HE2 TYR 93 HE1 TYR 93 7.230 0.520 -8.073 749 HH TYR 93 HH TYR 93 10.602 0.975 -7.540 750 H PHE 94 H PHE 94 5.059 -1.051 -13.172 751 HA PHE 94 HA PHE 94 5.622 -2.928 -11.071 752 HB2 PHE 94 HB2 PHE 94 3.572 -1.438 -11.267 753 HB3 PHE 94 HB3 PHE 94 3.031 -2.490 -12.566 754 HD1 PHE 94 HD1 PHE 94 3.964 -2.459 -8.987 755 HD2 PHE 94 HD2 PHE 94 1.844 -4.428 -12.099 756 HE1 PHE 94 HE1 PHE 94 2.911 -3.936 -7.332 757 HE2 PHE 94 HE2 PHE 94 0.788 -5.909 -10.452 758 HZ PHE 94 HZ PHE 94 1.323 -5.664 -8.068 759 H ALA 95 H ALA 95 5.224 -2.956 -14.498 760 HA ALA 95 HA ALA 95 4.639 -5.736 -14.833 761 HB1 ALA 95 HB1 ALA 95 3.921 -4.067 -16.461 762 HB2 ALA 95 HB2 ALA 95 4.946 -5.292 -17.213 763 HB3 ALA 95 HB3 ALA 95 5.607 -3.701 -16.834 764 H GLU 96 H GLU 96 7.457 -4.165 -13.965 765 HA GLU 96 HA GLU 96 9.462 -5.470 -15.453 766 HB2 GLU 96 HB2 GLU 96 9.869 -3.450 -14.143 767 HB3 GLU 96 HB3 GLU 96 9.502 -4.311 -12.658 768 HG2 GLU 96 HG2 GLU 96 11.858 -4.035 -12.824 769 HG3 GLU 96 HG3 GLU 96 11.478 -5.740 -13.047 770 H VAL 97 H VAL 97 8.128 -6.230 -12.221 771 HA VAL 97 HA VAL 97 9.455 -8.839 -12.362 772 HB VAL 97 HB VAL 97 8.892 -9.076 -9.947 773 HG11 VAL 97 HG11 VAL 97 10.462 -6.608 -10.680 774 HG12 VAL 97 HG12 VAL 97 11.077 -8.260 -10.638 775 HG13 VAL 97 HG13 VAL 97 10.562 -7.472 -9.146 776 HG21 VAL 97 HG21 VAL 97 7.984 -6.210 -10.192 777 HG22 VAL 97 HG22 VAL 97 8.171 -7.110 -8.684 778 HG23 VAL 97 HG23 VAL 97 6.952 -7.601 -9.864 779 H LEU 98 H LEU 98 6.352 -7.369 -12.571 780 HA LEU 98 HA LEU 98 5.129 -10.035 -12.751 781 HB2 LEU 98 HB2 LEU 98 3.905 -7.554 -11.515 782 HB3 LEU 98 HB3 LEU 98 3.011 -9.019 -11.865 783 HG LEU 98 HG LEU 98 5.349 -8.906 -9.952 784 HD11 LEU 98 HD11 LEU 98 3.526 -7.496 -9.140 785 HD12 LEU 98 HD12 LEU 98 3.686 -8.957 -8.166 786 HD13 LEU 98 HD13 LEU 98 2.392 -8.830 -9.357 787 HD21 LEU 98 HD21 LEU 98 4.469 -11.059 -9.180 788 HD22 LEU 98 HD22 LEU 98 4.906 -11.116 -10.889 789 HD23 LEU 98 HD23 LEU 98 3.212 -10.987 -10.416 790 HA PRO 99 HA PRO 99 4.420 -7.701 -16.670 791 HB2 PRO 99 HB2 PRO 99 4.988 -9.718 -18.375 792 HB3 PRO 99 HB3 PRO 99 6.229 -8.696 -17.646 793 HG2 PRO 99 HG2 PRO 99 5.430 -11.478 -16.981 794 HG3 PRO 99 HG3 PRO 99 7.024 -10.710 -16.897 795 HD2 PRO 99 HD2 PRO 99 5.313 -11.176 -14.746 796 HD3 PRO 99 HD3 PRO 99 6.692 -10.064 -14.750 797 H ASN 100 H ASN 100 3.089 -10.632 -15.448 798 HA ASN 100 HA ASN 100 0.926 -10.689 -17.413 799 HB2 ASN 100 HB2 ASN 100 0.372 -12.887 -16.457 800 HB3 ASN 100 HB3 ASN 100 2.043 -12.815 -16.987 801 HD21 ASN 100 HD21 ASN 100 0.686 -14.577 -15.086 802 HD22 ASN 100 HD22 ASN 100 1.576 -14.455 -13.603 803 H TYR 101 H TYR 101 1.253 -8.683 -15.248 804 HA TYR 101 HA TYR 101 -0.550 -9.181 -13.123 805 HB2 TYR 101 HB2 TYR 101 -0.111 -6.930 -12.439 806 HB3 TYR 101 HB3 TYR 101 1.393 -7.614 -13.032 807 HD1 TYR 101 HD1 TYR 101 1.526 -7.131 -15.830 808 HD2 TYR 101 HD2 TYR 101 -0.304 -4.708 -12.857 809 HE1 TYR 101 HE1 TYR 101 1.832 -5.157 -17.259 810 HE2 TYR 101 HE2 TYR 101 -0.007 -2.736 -14.278 811 HH TYR 101 HH TYR 101 1.630 -2.064 -16.159 812 H ASP 102 H ASP 102 -1.081 -8.131 -16.335 813 HA ASP 102 HA ASP 102 -2.927 -7.815 -17.555 814 HB2 ASP 102 HB2 ASP 102 -3.897 -9.597 -16.062 815 HB3 ASP 102 HB3 ASP 102 -4.595 -8.307 -15.086 816 H ARG 103 H ARG 103 -3.833 -6.052 -18.340 817 HA ARG 103 HA ARG 103 -3.294 -3.612 -16.888 818 HB2 ARG 103 HB2 ARG 103 -2.767 -4.097 -19.341 819 HB3 ARG 103 HB3 ARG 103 -4.476 -3.851 -19.647 820 HG2 ARG 103 HG2 ARG 103 -4.292 -1.559 -18.789 821 HG3 ARG 103 HG3 ARG 103 -2.566 -1.809 -18.519 822 HD2 ARG 103 HD2 ARG 103 -3.970 -1.994 -21.185 823 HD3 ARG 103 HD3 ARG 103 -3.028 -0.614 -20.622 824 HE ARG 103 HE ARG 103 -1.293 -2.697 -20.423 825 HH11 ARG 103 HH11 ARG 103 -3.249 -1.468 -23.072 826 HH12 ARG 103 HH12 ARG 103 -2.128 -1.984 -24.290 827 HH21 ARG 103 HH21 ARG 103 0.163 -3.362 -22.029 828 HH22 ARG 103 HH22 ARG 103 -0.201 -3.056 -23.702 829 H ASP 104 H ASP 104 -6.003 -5.593 -17.094 830 HA ASP 104 HA ASP 104 -7.884 -3.354 -16.845 831 HB2 ASP 104 HB2 ASP 104 -8.288 -5.327 -18.440 832 HB3 ASP 104 HB3 ASP 104 -8.631 -6.273 -16.997 833 H ARG 105 H ARG 105 -6.235 -5.750 -14.998 834 HA ARG 105 HA ARG 105 -8.058 -5.681 -12.755 835 HB2 ARG 105 HB2 ARG 105 -5.223 -6.715 -12.782 836 HB3 ARG 105 HB3 ARG 105 -6.468 -7.069 -11.590 837 HG2 ARG 105 HG2 ARG 105 -6.775 -7.832 -14.477 838 HG3 ARG 105 HG3 ARG 105 -5.924 -8.856 -13.328 839 HD2 ARG 105 HD2 ARG 105 -8.226 -9.581 -13.620 840 HD3 ARG 105 HD3 ARG 105 -7.941 -9.035 -11.973 841 HE ARG 105 HE ARG 105 -9.424 -7.306 -12.300 842 HH11 ARG 105 HH11 ARG 105 -8.828 -8.878 -15.392 843 HH12 ARG 105 HH12 ARG 105 -10.165 -8.106 -16.178 844 HH21 ARG 105 HH21 ARG 105 -11.170 -6.310 -13.338 845 HH22 ARG 105 HH22 ARG 105 -11.469 -6.623 -15.021 846 H VAL 106 H VAL 106 -4.849 -4.353 -13.486 847 HA VAL 106 HA VAL 106 -5.069 -2.464 -11.306 848 HB VAL 106 HB VAL 106 -3.052 -1.412 -12.256 849 HG11 VAL 106 HG11 VAL 106 -2.768 -3.208 -10.668 850 HG12 VAL 106 HG12 VAL 106 -1.490 -3.266 -11.881 851 HG13 VAL 106 HG13 VAL 106 -2.839 -4.398 -11.968 852 HG21 VAL 106 HG21 VAL 106 -3.234 -3.538 -14.386 853 HG22 VAL 106 HG22 VAL 106 -1.878 -2.434 -14.151 854 HG23 VAL 106 HG23 VAL 106 -3.457 -1.804 -14.627 855 H HIS 107 H HIS 107 -5.240 -0.084 -11.744 856 HA HIS 107 HA HIS 107 -7.026 0.275 -14.060 857 HB2 HIS 107 HB2 HIS 107 -7.484 1.317 -11.260 858 HB3 HIS 107 HB3 HIS 107 -8.476 1.724 -12.656 859 HD1 HIS 107 HD1 HIS 107 -8.412 -0.501 -9.880 860 HD2 HIS 107 HD2 HIS 107 -9.585 -0.846 -13.853 861 HE1 HIS 107 HE1 HIS 107 -9.879 -2.541 -9.976 862 HE2 HIS 107 HE2 HIS 107 -10.450 -2.816 -12.413 863 H ASN 108 H ASN 108 -5.594 2.461 -11.561 864 HA ASN 108 HA ASN 108 -4.418 4.064 -13.679 865 HB2 ASN 108 HB2 ASN 108 -6.924 4.681 -13.408 866 HB3 ASN 108 HB3 ASN 108 -6.431 5.432 -11.900 867 HD21 ASN 108 HD21 ASN 108 -3.830 6.326 -13.103 868 HD22 ASN 108 HD22 ASN 108 -4.256 7.674 -14.097 869 H GLY 109 H GLY 109 -5.482 4.780 -10.323 870 HA2 GLY 109 HA2 GLY 109 -2.800 5.907 -9.892 871 HA3 GLY 109 HA3 GLY 109 -4.253 6.372 -9.031 872 H ASP 110 H ASP 110 -4.065 3.049 -9.350 873 HA ASP 110 HA ASP 110 -3.835 2.524 -6.604 874 HB2 ASP 110 HB2 ASP 110 -3.367 0.098 -7.549 875 HB3 ASP 110 HB3 ASP 110 -4.956 0.840 -7.683 876 H ILE 111 H ILE 111 -1.407 2.271 -9.133 877 HA ILE 111 HA ILE 111 0.668 1.400 -7.375 878 HB ILE 111 HB ILE 111 0.996 2.526 -10.168 879 HG12 ILE 111 HG12 ILE 111 -0.541 0.646 -10.251 880 HG13 ILE 111 HG13 ILE 111 1.009 0.170 -10.927 881 HG21 ILE 111 HG21 ILE 111 2.802 0.715 -8.563 882 HG22 ILE 111 HG22 ILE 111 3.095 2.418 -8.914 883 HG23 ILE 111 HG23 ILE 111 3.075 1.237 -10.225 884 HD11 ILE 111 HD11 ILE 111 1.544 -0.992 -8.828 885 HD12 ILE 111 HD12 ILE 111 0.074 -1.609 -9.582 886 HD13 ILE 111 HD13 ILE 111 -0.035 -0.533 -8.189 887 H LYS 112 H LYS 112 -0.491 4.558 -8.430 888 HA LYS 112 HA LYS 112 1.936 5.915 -7.685 889 HB2 LYS 112 HB2 LYS 112 -0.779 7.012 -8.382 890 HB3 LYS 112 HB3 LYS 112 0.628 8.007 -8.036 891 HG2 LYS 112 HG2 LYS 112 1.738 6.581 -9.913 892 HG3 LYS 112 HG3 LYS 112 0.071 6.257 -10.380 893 HD2 LYS 112 HD2 LYS 112 1.144 9.041 -9.987 894 HD3 LYS 112 HD3 LYS 112 1.228 8.202 -11.532 895 HE2 LYS 112 HE2 LYS 112 -0.699 9.444 -11.764 896 HE3 LYS 112 HE3 LYS 112 -1.327 7.896 -11.212 897 HZ1 LYS 112 HZ1 LYS 112 -1.567 8.774 -9.007 898 HZ2 LYS 112 HZ2 LYS 112 -2.339 9.821 -10.094 899 HZ3 LYS 112 HZ3 LYS 112 -0.826 10.234 -9.450 900 H LYS 113 H LYS 113 -1.233 5.448 -6.150 901 HA LYS 113 HA LYS 113 -0.646 6.933 -3.794 902 HB2 LYS 113 HB2 LYS 113 -2.529 5.736 -2.774 903 HB3 LYS 113 HB3 LYS 113 -2.950 6.288 -4.389 904 HG2 LYS 113 HG2 LYS 113 -2.559 4.038 -5.264 905 HG3 LYS 113 HG3 LYS 113 -2.127 3.484 -3.649 906 HD2 LYS 113 HD2 LYS 113 -4.392 2.834 -4.121 907 HD3 LYS 113 HD3 LYS 113 -4.409 4.089 -2.883 908 HE2 LYS 113 HE2 LYS 113 -5.016 5.757 -4.541 909 HE3 LYS 113 HE3 LYS 113 -4.902 4.555 -5.827 910 HZ1 LYS 113 HZ1 LYS 113 -6.729 3.350 -4.824 911 HZ2 LYS 113 HZ2 LYS 113 -7.193 4.947 -5.153 912 HZ3 LYS 113 HZ3 LYS 113 -6.824 4.482 -3.565 913 H LEU 114 H LEU 114 0.168 3.774 -4.901 914 HA LEU 114 HA LEU 114 1.008 2.629 -2.462 915 HB2 LEU 114 HB2 LEU 114 0.430 1.144 -4.171 916 HB3 LEU 114 HB3 LEU 114 1.264 2.063 -5.397 917 HG LEU 114 HG LEU 114 2.831 0.469 -3.379 918 HD11 LEU 114 HD11 LEU 114 1.646 -0.524 -5.969 919 HD12 LEU 114 HD12 LEU 114 1.131 -1.010 -4.353 920 HD13 LEU 114 HD13 LEU 114 2.753 -1.411 -4.921 921 HD21 LEU 114 HD21 LEU 114 4.398 0.294 -5.262 922 HD22 LEU 114 HD22 LEU 114 4.069 1.978 -4.838 923 HD23 LEU 114 HD23 LEU 114 3.298 1.253 -6.253 924 H ILE 115 H ILE 115 2.629 4.658 -4.888 925 HA ILE 115 HA ILE 115 5.261 4.417 -3.775 926 HB ILE 115 HB ILE 115 4.320 6.800 -5.381 927 HG12 ILE 115 HG12 ILE 115 3.713 4.753 -6.627 928 HG13 ILE 115 HG13 ILE 115 4.974 5.675 -7.432 929 HG21 ILE 115 HG21 ILE 115 6.515 7.033 -4.367 930 HG22 ILE 115 HG22 ILE 115 6.669 6.885 -6.118 931 HG23 ILE 115 HG23 ILE 115 7.031 5.505 -5.083 932 HD11 ILE 115 HD11 ILE 115 6.649 4.092 -6.635 933 HD12 ILE 115 HD12 ILE 115 5.383 3.277 -7.554 934 HD13 ILE 115 HD13 ILE 115 5.393 3.184 -5.792 935 H SER 116 H SER 116 2.504 6.488 -3.189 936 HA SER 116 HA SER 116 3.670 8.489 -1.595 937 HB2 SER 116 HB2 SER 116 0.922 7.310 -1.171 938 HB3 SER 116 HB3 SER 116 1.459 8.942 -0.789 939 HG SER 116 HG SER 116 1.300 7.862 -3.410 940 H TRP 117 H TRP 117 2.393 5.288 -0.796 941 HA TRP 117 HA TRP 117 2.973 5.616 2.028 942 HB2 TRP 117 HB2 TRP 117 1.933 3.176 0.562 943 HB3 TRP 117 HB3 TRP 117 1.940 3.431 2.306 944 HD1 TRP 117 HD1 TRP 117 0.800 6.383 2.373 945 HE1 TRP 117 HE1 TRP 117 -1.652 6.824 1.756 946 HE3 TRP 117 HE3 TRP 117 -0.172 2.117 -0.285 947 HZ2 TRP 117 HZ2 TRP 117 -3.733 5.552 0.357 948 HZ3 TRP 117 HZ3 TRP 117 -2.424 1.808 -1.216 949 HH2 TRP 117 HH2 TRP 117 -4.166 3.488 -0.903 950 H TYR 118 H TYR 118 4.586 4.537 -0.729 951 HA TYR 118 HA TYR 118 5.993 2.252 0.057 952 HB2 TYR 118 HB2 TYR 118 5.761 3.780 -2.209 953 HB3 TYR 118 HB3 TYR 118 7.431 4.058 -1.741 954 HD1 TYR 118 HD1 TYR 118 7.278 1.008 -0.499 955 HD2 TYR 118 HD2 TYR 118 6.792 2.898 -4.269 956 HE1 TYR 118 HE1 TYR 118 7.948 -1.070 -1.617 957 HE2 TYR 118 HE2 TYR 118 7.467 0.840 -5.413 958 HH TYR 118 HH TYR 118 7.703 -2.131 -3.795 959 H ASN 119 H ASN 119 6.795 5.646 0.343 960 HA ASN 119 HA ASN 119 9.507 5.214 1.153 961 HB2 ASN 119 HB2 ASN 119 7.763 7.671 1.392 962 HB3 ASN 119 HB3 ASN 119 9.501 7.627 1.657 963 HD21 ASN 119 HD21 ASN 119 10.143 5.886 -0.507 964 HD22 ASN 119 HD22 ASN 119 9.885 6.767 -1.969 965 H ILE 120 H ILE 120 6.443 5.558 2.754 966 HA ILE 120 HA ILE 120 7.388 5.947 5.425 967 HB ILE 120 HB ILE 120 4.713 4.843 4.505 968 HG12 ILE 120 HG12 ILE 120 5.362 7.741 5.059 969 HG13 ILE 120 HG13 ILE 120 5.424 7.046 3.444 970 HG21 ILE 120 HG21 ILE 120 5.412 6.344 7.032 971 HG22 ILE 120 HG22 ILE 120 5.160 4.601 6.919 972 HG23 ILE 120 HG23 ILE 120 3.825 5.706 6.583 973 HD11 ILE 120 HD11 ILE 120 3.341 8.216 3.810 974 HD12 ILE 120 HD12 ILE 120 2.992 7.202 5.211 975 HD13 ILE 120 HD13 ILE 120 3.051 6.490 3.597 976 H LEU 121 H LEU 121 6.523 3.178 3.436 977 HA LEU 121 HA LEU 121 6.281 1.150 5.327 978 HB2 LEU 121 HB2 LEU 121 7.314 0.934 2.501 979 HB3 LEU 121 HB3 LEU 121 6.744 -0.403 3.478 980 HG LEU 121 HG LEU 121 4.989 1.918 2.691 981 HD11 LEU 121 HD11 LEU 121 4.089 0.465 0.965 982 HD12 LEU 121 HD12 LEU 121 5.308 -0.751 1.345 983 HD13 LEU 121 HD13 LEU 121 5.795 0.814 0.690 984 HD21 LEU 121 HD21 LEU 121 4.232 0.606 4.617 985 HD22 LEU 121 HD22 LEU 121 4.320 -0.861 3.642 986 HD23 LEU 121 HD23 LEU 121 3.171 0.411 3.223 987 H VAL 122 H VAL 122 9.106 1.861 3.325 988 HA VAL 122 HA VAL 122 10.854 0.126 4.742 989 HB VAL 122 HB VAL 122 11.793 2.397 2.993 990 HG11 VAL 122 HG11 VAL 122 13.521 1.104 4.127 991 HG12 VAL 122 HG12 VAL 122 13.571 0.834 2.384 992 HG13 VAL 122 HG13 VAL 122 12.868 -0.387 3.444 993 HG21 VAL 122 HG21 VAL 122 9.974 1.300 1.783 994 HG22 VAL 122 HG22 VAL 122 10.742 -0.268 2.034 995 HG23 VAL 122 HG23 VAL 122 11.535 0.951 1.035 996 H ASN 123 H ASN 123 9.902 3.423 5.291 997 HA ASN 123 HA ASN 123 12.319 4.418 6.417 998 HB2 ASN 123 HB2 ASN 123 10.442 5.782 5.418 999 HB3 ASN 123 HB3 ASN 123 9.531 5.478 6.892 1000 HD21 ASN 123 HD21 ASN 123 12.211 7.124 5.466 1001 HD22 ASN 123 HD22 ASN 123 12.528 8.195 6.778 1002 H ASN 124 H ASN 124 9.227 3.565 7.984 1003 HA ASN 124 HA ASN 124 10.680 3.583 10.536 1004 HB2 ASN 124 HB2 ASN 124 8.236 3.896 11.456 1005 HB3 ASN 124 HB3 ASN 124 9.152 5.268 10.845 1006 HD21 ASN 124 HD21 ASN 124 8.382 6.397 9.164 1007 HD22 ASN 124 HD22 ASN 124 6.921 6.015 8.318 1008 H GLY 125 H GLY 125 10.005 1.391 8.495 1009 HA2 GLY 125 HA2 GLY 125 9.795 -0.891 8.607 1010 HA3 GLY 125 HA3 GLY 125 9.967 -0.732 10.346 1011 H ILE 126 H ILE 126 7.594 -0.326 7.755 1012 HA ILE 126 HA ILE 126 5.309 -0.497 9.414 1013 HB ILE 126 HB ILE 126 5.742 -0.789 6.455 1014 HG12 ILE 126 HG12 ILE 126 6.074 1.445 7.379 1015 HG13 ILE 126 HG13 ILE 126 4.657 1.407 6.340 1016 HG21 ILE 126 HG21 ILE 126 3.344 -0.660 6.095 1017 HG22 ILE 126 HG22 ILE 126 3.076 -0.790 7.834 1018 HG23 ILE 126 HG23 ILE 126 3.803 -2.135 6.950 1019 HD11 ILE 126 HD11 ILE 126 4.284 2.762 8.307 1020 HD12 ILE 126 HD12 ILE 126 4.652 1.383 9.344 1021 HD13 ILE 126 HD13 ILE 126 3.224 1.352 8.308 1022 H THR 127 H THR 127 6.867 -2.879 7.294 1023 HA THR 127 HA THR 127 7.131 -5.098 7.301 1024 HB THR 127 HB THR 127 7.285 -6.318 9.419 1025 HG1 THR 127 HG1 THR 127 5.704 -4.341 10.359 1026 HG21 THR 127 HG21 THR 127 9.097 -4.977 10.394 1027 HG22 THR 127 HG22 THR 127 8.563 -3.590 9.442 1028 HG23 THR 127 HG23 THR 127 9.180 -5.032 8.634 1029 H GLU 128 H GLU 128 4.386 -4.118 6.860 1030 HA GLU 128 HA GLU 128 2.630 -6.260 7.627 1031 HB2 GLU 128 HB2 GLU 128 2.418 -4.102 5.509 1032 HB3 GLU 128 HB3 GLU 128 1.141 -5.252 5.861 1033 HG2 GLU 128 HG2 GLU 128 2.234 -3.644 8.093 1034 HG3 GLU 128 HG3 GLU 128 1.191 -2.847 6.919 1035 H PHE 129 H PHE 129 5.226 -6.234 5.618 1036 HA PHE 129 HA PHE 129 4.337 -8.369 3.905 1037 HB2 PHE 129 HB2 PHE 129 4.793 -7.181 1.806 1038 HB3 PHE 129 HB3 PHE 129 3.495 -6.415 2.702 1039 HD1 PHE 129 HD1 PHE 129 4.176 -4.313 4.126 1040 HD2 PHE 129 HD2 PHE 129 6.518 -5.925 0.966 1041 HE1 PHE 129 HE1 PHE 129 5.358 -2.177 3.904 1042 HE2 PHE 129 HE2 PHE 129 7.703 -3.790 0.747 1043 HZ PHE 129 HZ PHE 129 7.125 -1.914 2.217 1044 H VAL 130 H VAL 130 6.903 -6.075 4.734 1045 HA VAL 130 HA VAL 130 8.887 -7.807 3.548 1046 HB VAL 130 HB VAL 130 9.080 -5.506 2.928 1047 HG11 VAL 130 HG11 VAL 130 9.587 -3.697 4.481 1048 HG12 VAL 130 HG12 VAL 130 9.321 -4.795 5.837 1049 HG13 VAL 130 HG13 VAL 130 7.990 -4.396 4.749 1050 HG21 VAL 130 HG21 VAL 130 11.182 -6.625 3.069 1051 HG22 VAL 130 HG22 VAL 130 11.308 -6.280 4.796 1052 HG23 VAL 130 HG23 VAL 130 11.391 -4.964 3.622 1053 H GLU 131 H GLU 131 9.972 -9.237 4.628 1054 HA GLU 131 HA GLU 131 10.271 -9.141 7.494 1055 HB2 GLU 131 HB2 GLU 131 11.731 -11.169 7.113 1056 HB3 GLU 131 HB3 GLU 131 10.063 -11.341 6.591 1057 HG2 GLU 131 HG2 GLU 131 10.665 -11.157 4.306 1058 HG3 GLU 131 HG3 GLU 131 12.297 -10.620 4.702 1059 H ALA 132 H ALA 132 11.874 -8.236 8.555 1060 HA ALA 132 HA ALA 132 13.647 -6.970 9.091 1061 HB1 ALA 132 HB1 ALA 132 15.815 -7.399 8.116 1062 HB2 ALA 132 HB2 ALA 132 15.070 -8.242 6.755 1063 HB3 ALA 132 HB3 ALA 132 14.964 -8.919 8.381 1064 HA PRO 133 HA PRO 133 12.761 -3.600 6.154 1065 HB2 PRO 133 HB2 PRO 133 12.098 -1.753 7.959 1066 HB3 PRO 133 HB3 PRO 133 10.983 -3.070 7.569 1067 HG2 PRO 133 HG2 PRO 133 12.853 -2.804 9.901 1068 HG3 PRO 133 HG3 PRO 133 11.154 -3.319 9.887 1069 HD2 PRO 133 HD2 PRO 133 13.274 -5.051 9.944 1070 HD3 PRO 133 HD3 PRO 133 11.684 -5.458 9.275 1071 H ALA 134 H ALA 134 13.503 -1.101 6.556 1072 HA ALA 134 HA ALA 134 16.317 -1.206 7.386 1073 HB1 ALA 134 HB1 ALA 134 14.958 0.782 5.561 1074 HB2 ALA 134 HB2 ALA 134 15.990 -0.553 5.048 1075 HB3 ALA 134 HB3 ALA 134 16.667 0.772 5.994 1076 H LEU 135 H LEU 135 17.131 0.392 8.746 1077 HA LEU 135 HA LEU 135 15.136 1.804 10.341 1078 HB2 LEU 135 HB2 LEU 135 18.119 1.491 10.722 1079 HB3 LEU 135 HB3 LEU 135 17.047 2.323 11.831 1080 HG LEU 135 HG LEU 135 16.836 -0.615 11.158 1081 HD11 LEU 135 HD11 LEU 135 17.818 -1.000 13.358 1082 HD12 LEU 135 HD12 LEU 135 18.053 0.736 13.562 1083 HD13 LEU 135 HD13 LEU 135 18.932 -0.132 12.302 1084 HD21 LEU 135 HD21 LEU 135 15.544 1.050 13.319 1085 HD22 LEU 135 HD22 LEU 135 15.378 -0.696 13.120 1086 HD23 LEU 135 HD23 LEU 135 14.738 0.398 11.893 1087 H GLU 136 H GLU 136 14.504 3.371 8.893 1088 HA GLU 136 HA GLU 136 16.581 5.133 7.813 1089 HB2 GLU 136 HB2 GLU 136 14.524 3.900 6.533 1090 HB3 GLU 136 HB3 GLU 136 13.763 5.428 6.945 1091 HG2 GLU 136 HG2 GLU 136 16.214 4.995 5.260 1092 HG3 GLU 136 HG3 GLU 136 14.642 5.588 4.743 1093 H HIS 137 H HIS 137 16.955 6.885 8.923 1094 HA HIS 137 HA HIS 137 14.728 8.496 9.849 1095 HB2 HIS 137 HB2 HIS 137 15.470 6.964 11.753 1096 HB3 HIS 137 HB3 HIS 137 16.998 7.834 11.752 1097 HD1 HIS 137 HD1 HIS 137 13.284 8.683 12.092 1098 HD2 HIS 137 HD2 HIS 137 17.006 9.901 13.496 1099 HE1 HIS 137 HE1 HIS 137 12.821 10.510 13.752 1100 HE2 HIS 137 HE2 HIS 137 15.069 11.097 14.719 1101 H HIS 138 H HIS 138 15.866 9.316 7.721 1102 HA HIS 138 HA HIS 138 18.060 11.096 8.441 1103 HB2 HIS 138 HB2 HIS 138 18.497 11.453 6.171 1104 HB3 HIS 138 HB3 HIS 138 17.964 9.784 6.210 1105 HD1 HIS 138 HD1 HIS 138 15.407 9.394 5.332 1106 HD2 HIS 138 HD2 HIS 138 17.168 13.049 4.403 1107 HE1 HIS 138 HE1 HIS 138 13.998 10.392 3.512 1108 HE2 HIS 138 HE2 HIS 138 14.977 12.676 3.091 1109 H HIS 139 H HIS 139 14.821 11.178 8.785 1110 HA HIS 139 HA HIS 139 14.756 14.090 8.463 1111 HB2 HIS 139 HB2 HIS 139 12.478 14.079 7.808 1112 HB3 HIS 139 HB3 HIS 139 13.279 12.863 6.832 1113 HD1 HIS 139 HD1 HIS 139 10.311 13.427 8.724 1114 HD2 HIS 139 HD2 HIS 139 12.690 10.097 7.970 1115 HE1 HIS 139 HE1 HIS 139 8.859 11.439 9.188 1116 HE2 HIS 139 HE2 HIS 139 10.371 9.445 8.929 1117 H HIS 140 H HIS 140 14.020 15.302 10.087 1118 HA HIS 140 HA HIS 140 13.314 13.938 12.591 1119 HB2 HIS 140 HB2 HIS 140 15.377 15.233 12.743 1120 HB3 HIS 140 HB3 HIS 140 14.574 16.653 12.095 1121 HD1 HIS 140 HD1 HIS 140 14.491 14.459 15.211 1122 HD2 HIS 140 HD2 HIS 140 13.581 18.330 13.988 1123 HE1 HIS 140 HE1 HIS 140 13.817 15.689 17.296 1124 HE2 HIS 140 HE2 HIS 140 13.432 18.067 16.560 1125 H HIS 141 H HIS 141 12.286 16.173 10.163 1126 HA HIS 141 HA HIS 141 10.185 17.384 11.700 1127 HB2 HIS 141 HB2 HIS 141 11.415 18.406 9.692 1128 HB3 HIS 141 HB3 HIS 141 10.420 17.360 8.689 1129 HD1 HIS 141 HD1 HIS 141 10.402 20.557 10.499 1130 HD2 HIS 141 HD2 HIS 141 7.607 18.014 8.766 1131 HE1 HIS 141 HE1 HIS 141 8.310 21.924 10.238 1132 HE2 HIS 141 HE2 HIS 141 6.725 20.437 8.974 1133 H HIS 142 H HIS 142 8.378 16.458 12.197 1134 HA HIS 142 HA HIS 142 7.509 14.056 10.772 1135 HB2 HIS 142 HB2 HIS 142 5.937 13.815 12.786 1136 HB3 HIS 142 HB3 HIS 142 7.649 13.560 13.063 1137 HD1 HIS 142 HD1 HIS 142 8.718 14.925 14.881 1138 HD2 HIS 142 HD2 HIS 142 4.966 16.378 13.817 1139 HE1 HIS 142 HE1 HIS 142 8.182 16.725 16.555 1140 HE2 HIS 142 HE2 HIS 142 5.855 17.497 15.971 Start of MODEL 6 1 H1 MET 1 H1 MET 1 2.391 -6.770 11.308 2 H2 MET 1 H2 MET 1 0.719 -7.043 11.240 3 H3 MET 1 H3 MET 1 1.336 -5.473 11.052 4 HA MET 1 HA MET 1 2.333 -5.991 9.006 5 HB2 MET 1 HB2 MET 1 3.030 -8.285 9.607 6 HB3 MET 1 HB3 MET 1 1.366 -8.828 9.459 7 HG2 MET 1 HG2 MET 1 1.387 -8.234 7.089 8 HG3 MET 1 HG3 MET 1 3.059 -7.701 7.239 9 HE1 MET 1 HE1 MET 1 3.825 -9.223 5.255 10 HE2 MET 1 HE2 MET 1 2.144 -9.706 5.032 11 HE3 MET 1 HE3 MET 1 3.410 -10.930 5.113 12 H LEU 2 H LEU 2 -0.561 -8.038 9.517 13 HA LEU 2 HA LEU 2 -1.714 -6.673 7.208 14 HB2 LEU 2 HB2 LEU 2 -3.031 -8.613 6.773 15 HB3 LEU 2 HB3 LEU 2 -1.375 -9.115 7.005 16 HG LEU 2 HG LEU 2 -3.452 -9.378 9.190 17 HD11 LEU 2 HD11 LEU 2 -4.234 -10.574 7.214 18 HD12 LEU 2 HD12 LEU 2 -3.728 -11.696 8.478 19 HD13 LEU 2 HD13 LEU 2 -2.680 -11.400 7.091 20 HD21 LEU 2 HD21 LEU 2 -0.833 -10.806 8.696 21 HD22 LEU 2 HD22 LEU 2 -1.942 -11.113 10.033 22 HD23 LEU 2 HD23 LEU 2 -1.115 -9.560 9.912 23 H LYS 3 H LYS 3 -3.514 -5.633 7.246 24 HA LYS 3 HA LYS 3 -5.350 -4.515 7.866 25 HB2 LYS 3 HB2 LYS 3 -5.818 -7.161 8.605 26 HB3 LYS 3 HB3 LYS 3 -6.312 -6.223 10.008 27 HG2 LYS 3 HG2 LYS 3 -8.188 -6.598 8.508 28 HG3 LYS 3 HG3 LYS 3 -7.797 -4.880 8.598 29 HD2 LYS 3 HD2 LYS 3 -6.535 -5.093 6.477 30 HD3 LYS 3 HD3 LYS 3 -7.019 -6.786 6.387 31 HE2 LYS 3 HE2 LYS 3 -8.977 -4.495 6.498 32 HE3 LYS 3 HE3 LYS 3 -8.388 -5.200 4.994 33 HZ1 LYS 3 HZ1 LYS 3 -9.867 -6.663 7.122 34 HZ2 LYS 3 HZ2 LYS 3 -9.314 -7.324 5.659 35 HZ3 LYS 3 HZ3 LYS 3 -10.518 -6.135 5.648 36 H THR 4 H THR 4 -2.832 -4.059 9.287 37 HA THR 4 HA THR 4 -3.875 -2.920 11.797 38 HB THR 4 HB THR 4 -0.976 -3.608 11.246 39 HG1 THR 4 HG1 THR 4 -2.845 -5.350 11.494 40 HG21 THR 4 HG21 THR 4 -0.759 -3.451 13.682 41 HG22 THR 4 HG22 THR 4 -2.473 -3.053 13.815 42 HG23 THR 4 HG23 THR 4 -1.370 -1.940 13.006 43 H ILE 5 H ILE 5 -1.747 -2.415 9.028 44 HA ILE 5 HA ILE 5 -1.301 0.367 9.617 45 HB ILE 5 HB ILE 5 -0.726 -1.285 7.139 46 HG12 ILE 5 HG12 ILE 5 0.600 -1.889 9.172 47 HG13 ILE 5 HG13 ILE 5 1.587 -1.331 7.826 48 HG21 ILE 5 HG21 ILE 5 0.144 1.539 7.727 49 HG22 ILE 5 HG22 ILE 5 -0.986 1.017 6.475 50 HG23 ILE 5 HG23 ILE 5 0.712 0.551 6.379 51 HD11 ILE 5 HD11 ILE 5 1.817 0.843 8.881 52 HD12 ILE 5 HD12 ILE 5 2.375 -0.452 9.945 53 HD13 ILE 5 HD13 ILE 5 0.807 0.307 10.225 54 H LEU 6 H LEU 6 -2.548 2.021 8.968 55 HA LEU 6 HA LEU 6 -4.783 1.494 7.118 56 HB2 LEU 6 HB2 LEU 6 -4.542 3.614 9.257 57 HB3 LEU 6 HB3 LEU 6 -5.902 3.413 8.178 58 HG LEU 6 HG LEU 6 -5.053 1.478 10.335 59 HD11 LEU 6 HD11 LEU 6 -6.023 3.548 11.175 60 HD12 LEU 6 HD12 LEU 6 -7.119 2.187 11.415 61 HD13 LEU 6 HD13 LEU 6 -7.413 3.337 10.110 62 HD21 LEU 6 HD21 LEU 6 -7.130 0.298 9.826 63 HD22 LEU 6 HD22 LEU 6 -6.058 0.314 8.425 64 HD23 LEU 6 HD23 LEU 6 -7.442 1.405 8.488 65 H SER 7 H SER 7 -5.019 2.748 5.395 66 HA SER 7 HA SER 7 -2.859 4.531 4.645 67 HB2 SER 7 HB2 SER 7 -5.322 3.673 3.094 68 HB3 SER 7 HB3 SER 7 -3.879 4.445 2.435 69 HG SER 7 HG SER 7 -2.856 2.596 2.485 70 H ILE 8 H ILE 8 -2.964 6.570 5.200 71 HA ILE 8 HA ILE 8 -5.595 7.815 5.689 72 HB ILE 8 HB ILE 8 -2.995 8.208 7.202 73 HG12 ILE 8 HG12 ILE 8 -4.151 6.134 7.796 74 HG13 ILE 8 HG13 ILE 8 -4.201 7.277 9.128 75 HG21 ILE 8 HG21 ILE 8 -4.215 9.719 8.700 76 HG22 ILE 8 HG22 ILE 8 -5.638 9.597 7.667 77 HG23 ILE 8 HG23 ILE 8 -4.164 10.341 7.049 78 HD11 ILE 8 HD11 ILE 8 -6.466 6.680 7.230 79 HD12 ILE 8 HD12 ILE 8 -6.522 7.811 8.584 80 HD13 ILE 8 HD13 ILE 8 -6.308 6.085 8.884 81 H ALA 9 H ALA 9 -5.985 9.728 4.708 82 HA ALA 9 HA ALA 9 -3.803 10.861 3.088 83 HB1 ALA 9 HB1 ALA 9 -5.546 11.765 1.622 84 HB2 ALA 9 HB2 ALA 9 -6.785 11.052 2.656 85 HB3 ALA 9 HB3 ALA 9 -5.672 10.012 1.767 86 H GLY 10 H GLY 10 -3.168 12.920 3.426 87 HA2 GLY 10 HA2 GLY 10 -4.357 15.200 3.966 88 HA3 GLY 10 HA3 GLY 10 -4.499 14.445 5.548 89 H LYS 11 H LYS 11 -3.104 15.480 6.828 90 HA LYS 11 HA LYS 11 -0.559 16.441 5.966 91 HB2 LYS 11 HB2 LYS 11 -1.753 16.166 8.714 92 HB3 LYS 11 HB3 LYS 11 -0.104 16.708 8.470 93 HG2 LYS 11 HG2 LYS 11 -1.229 18.687 8.682 94 HG3 LYS 11 HG3 LYS 11 -1.200 18.493 6.930 95 HD2 LYS 11 HD2 LYS 11 -3.464 17.660 6.946 96 HD3 LYS 11 HD3 LYS 11 -3.500 17.689 8.711 97 HE2 LYS 11 HE2 LYS 11 -3.195 20.126 8.653 98 HE3 LYS 11 HE3 LYS 11 -3.218 20.075 6.890 99 HZ1 LYS 11 HZ1 LYS 11 -5.367 20.679 7.878 100 HZ2 LYS 11 HZ2 LYS 11 -5.436 19.162 8.628 101 HZ3 LYS 11 HZ3 LYS 11 -5.451 19.271 6.938 102 HA PRO 12 HA PRO 12 1.413 12.606 7.973 103 HB2 PRO 12 HB2 PRO 12 -0.493 10.713 8.998 104 HB3 PRO 12 HB3 PRO 12 0.660 11.694 9.904 105 HG2 PRO 12 HG2 PRO 12 -2.049 12.014 10.059 106 HG3 PRO 12 HG3 PRO 12 -0.879 13.312 10.362 107 HD2 PRO 12 HD2 PRO 12 -2.421 12.703 7.865 108 HD3 PRO 12 HD3 PRO 12 -2.181 14.267 8.682 109 H GLY 13 H GLY 13 0.561 9.762 7.904 110 HA2 GLY 13 HA2 GLY 13 0.041 9.447 5.045 111 HA3 GLY 13 HA3 GLY 13 1.591 8.896 5.655 112 H LEU 14 H LEU 14 1.362 7.403 7.652 113 HA LEU 14 HA LEU 14 -0.934 5.612 7.258 114 HB2 LEU 14 HB2 LEU 14 1.949 4.755 7.532 115 HB3 LEU 14 HB3 LEU 14 0.574 3.671 7.546 116 HG LEU 14 HG LEU 14 1.334 5.408 5.190 117 HD11 LEU 14 HD11 LEU 14 1.815 2.488 5.695 118 HD12 LEU 14 HD12 LEU 14 3.041 3.756 5.647 119 HD13 LEU 14 HD13 LEU 14 2.139 3.344 4.188 120 HD21 LEU 14 HD21 LEU 14 -1.035 4.802 5.237 121 HD22 LEU 14 HD22 LEU 14 -0.600 3.104 5.429 122 HD23 LEU 14 HD23 LEU 14 -0.184 3.957 3.943 123 H TYR 15 H TYR 15 -1.693 4.569 9.017 124 HA TYR 15 HA TYR 15 -0.435 5.163 11.613 125 HB2 TYR 15 HB2 TYR 15 -3.292 5.513 10.762 126 HB3 TYR 15 HB3 TYR 15 -2.913 5.159 12.444 127 HD1 TYR 15 HD1 TYR 15 -1.351 6.709 13.661 128 HD2 TYR 15 HD2 TYR 15 -3.110 7.715 9.939 129 HE1 TYR 15 HE1 TYR 15 -0.896 9.070 14.091 130 HE2 TYR 15 HE2 TYR 15 -2.653 10.089 10.358 131 HH TYR 15 HH TYR 15 -2.256 11.573 12.298 132 H LYS 16 H LYS 16 -1.055 3.650 13.339 133 HA LYS 16 HA LYS 16 -1.865 1.027 12.272 134 HB2 LYS 16 HB2 LYS 16 -0.160 1.738 14.656 135 HB3 LYS 16 HB3 LYS 16 -0.802 0.121 14.386 136 HG2 LYS 16 HG2 LYS 16 0.353 0.027 12.238 137 HG3 LYS 16 HG3 LYS 16 1.015 1.631 12.525 138 HD2 LYS 16 HD2 LYS 16 2.686 0.006 13.066 139 HD3 LYS 16 HD3 LYS 16 2.117 0.728 14.573 140 HE2 LYS 16 HE2 LYS 16 0.921 -1.179 15.173 141 HE3 LYS 16 HE3 LYS 16 0.900 -1.797 13.520 142 HZ1 LYS 16 HZ1 LYS 16 2.437 -3.024 14.913 143 HZ2 LYS 16 HZ2 LYS 16 3.294 -1.605 15.257 144 HZ3 LYS 16 HZ3 LYS 16 3.260 -2.211 13.670 145 H LEU 17 H LEU 17 -3.757 0.281 12.786 146 HA LEU 17 HA LEU 17 -5.478 1.676 14.628 147 HB2 LEU 17 HB2 LEU 17 -6.172 0.529 12.434 148 HB3 LEU 17 HB3 LEU 17 -6.094 -0.973 13.341 149 HG LEU 17 HG LEU 17 -7.751 -0.048 14.955 150 HD11 LEU 17 HD11 LEU 17 -7.864 2.191 12.955 151 HD12 LEU 17 HD12 LEU 17 -7.253 2.297 14.611 152 HD13 LEU 17 HD13 LEU 17 -8.965 1.972 14.319 153 HD21 LEU 17 HD21 LEU 17 -8.628 -0.036 12.076 154 HD22 LEU 17 HD22 LEU 17 -9.699 -0.116 13.473 155 HD23 LEU 17 HD23 LEU 17 -8.571 -1.439 13.148 156 H ILE 18 H ILE 18 -5.308 1.389 16.707 157 HA ILE 18 HA ILE 18 -4.472 -1.160 17.857 158 HB ILE 18 HB ILE 18 -5.262 1.369 19.332 159 HG12 ILE 18 HG12 ILE 18 -2.433 0.569 18.637 160 HG13 ILE 18 HG13 ILE 18 -3.370 1.683 17.646 161 HG21 ILE 18 HG21 ILE 18 -3.568 -0.998 20.147 162 HG22 ILE 18 HG22 ILE 18 -5.206 -0.650 20.700 163 HG23 ILE 18 HG23 ILE 18 -3.880 0.429 21.136 164 HD11 ILE 18 HD11 ILE 18 -1.891 2.857 19.174 165 HD12 ILE 18 HD12 ILE 18 -2.677 2.070 20.544 166 HD13 ILE 18 HD13 ILE 18 -3.585 3.193 19.531 167 H SER 19 H SER 19 -7.203 1.098 17.925 168 HA SER 19 HA SER 19 -9.029 -1.071 18.631 169 HB2 SER 19 HB2 SER 19 -8.924 1.537 20.180 170 HB3 SER 19 HB3 SER 19 -10.050 0.207 20.446 171 HG SER 19 HG SER 19 -7.629 -0.822 20.565 172 H GLN 20 H GLN 20 -11.129 -0.718 17.890 173 HA GLN 20 HA GLN 20 -11.505 1.700 16.264 174 HB2 GLN 20 HB2 GLN 20 -11.640 -0.491 15.083 175 HB3 GLN 20 HB3 GLN 20 -12.993 -0.938 16.111 176 HG2 GLN 20 HG2 GLN 20 -14.335 0.840 15.192 177 HG3 GLN 20 HG3 GLN 20 -12.968 1.423 14.245 178 HE21 GLN 20 HE21 GLN 20 -14.102 1.202 12.331 179 HE22 GLN 20 HE22 GLN 20 -14.420 -0.340 11.616 180 H GLY 21 H GLY 21 -12.498 3.208 17.429 181 HA2 GLY 21 HA2 GLY 21 -14.299 2.488 19.586 182 HA3 GLY 21 HA3 GLY 21 -13.705 4.099 19.213 183 H LYS 22 H LYS 22 -16.194 4.126 19.840 184 HA LYS 22 HA LYS 22 -17.878 3.639 17.496 185 HB2 LYS 22 HB2 LYS 22 -19.744 4.059 19.167 186 HB3 LYS 22 HB3 LYS 22 -18.756 2.634 19.451 187 HG2 LYS 22 HG2 LYS 22 -17.462 3.940 21.125 188 HG3 LYS 22 HG3 LYS 22 -18.603 5.267 20.905 189 HD2 LYS 22 HD2 LYS 22 -20.428 3.847 21.651 190 HD3 LYS 22 HD3 LYS 22 -19.321 2.479 21.810 191 HE2 LYS 22 HE2 LYS 22 -18.043 3.731 23.492 192 HE3 LYS 22 HE3 LYS 22 -19.183 5.069 23.346 193 HZ1 LYS 22 HZ1 LYS 22 -20.940 3.629 24.122 194 HZ2 LYS 22 HZ2 LYS 22 -19.676 3.659 25.251 195 HZ3 LYS 22 HZ3 LYS 22 -19.870 2.320 24.229 196 H ASN 23 H ASN 23 -16.291 5.647 16.997 197 HA ASN 23 HA ASN 23 -17.738 7.808 16.124 198 HB2 ASN 23 HB2 ASN 23 -17.969 8.384 18.612 199 HB3 ASN 23 HB3 ASN 23 -16.229 8.593 18.643 200 HD21 ASN 23 HD21 ASN 23 -15.337 10.452 17.849 201 HD22 ASN 23 HD22 ASN 23 -16.271 11.782 17.264 202 H MET 24 H MET 24 -14.733 7.129 17.839 203 HA MET 24 HA MET 24 -13.188 7.912 15.481 204 HB2 MET 24 HB2 MET 24 -11.495 8.871 17.221 205 HB3 MET 24 HB3 MET 24 -12.848 9.853 16.686 206 HG2 MET 24 HG2 MET 24 -13.876 9.783 18.696 207 HG3 MET 24 HG3 MET 24 -13.247 8.191 19.104 208 HE1 MET 24 HE1 MET 24 -10.997 7.728 20.200 209 HE2 MET 24 HE2 MET 24 -9.690 8.906 20.330 210 HE3 MET 24 HE3 MET 24 -10.234 8.362 18.742 211 H LEU 25 H LEU 25 -11.280 6.931 15.213 212 HA LEU 25 HA LEU 25 -10.954 4.352 16.527 213 HB2 LEU 25 HB2 LEU 25 -9.991 5.596 13.969 214 HB3 LEU 25 HB3 LEU 25 -9.117 4.237 14.635 215 HG LEU 25 HG LEU 25 -10.901 2.736 14.230 216 HD11 LEU 25 HD11 LEU 25 -12.779 4.090 15.007 217 HD12 LEU 25 HD12 LEU 25 -13.097 3.357 13.435 218 HD13 LEU 25 HD13 LEU 25 -12.674 5.068 13.542 219 HD21 LEU 25 HD21 LEU 25 -9.643 3.367 12.254 220 HD22 LEU 25 HD22 LEU 25 -10.776 4.686 11.939 221 HD23 LEU 25 HD23 LEU 25 -11.320 3.008 11.842 222 H ILE 26 H ILE 26 -9.048 3.723 17.485 223 HA ILE 26 HA ILE 26 -7.338 5.903 18.459 224 HB ILE 26 HB ILE 26 -7.531 2.991 19.349 225 HG12 ILE 26 HG12 ILE 26 -9.528 4.358 19.919 226 HG13 ILE 26 HG13 ILE 26 -8.660 3.782 21.336 227 HG21 ILE 26 HG21 ILE 26 -6.150 3.652 21.274 228 HG22 ILE 26 HG22 ILE 26 -5.936 5.250 20.560 229 HG23 ILE 26 HG23 ILE 26 -5.297 3.824 19.741 230 HD11 ILE 26 HD11 ILE 26 -7.646 6.001 21.595 231 HD12 ILE 26 HD12 ILE 26 -9.409 6.063 21.646 232 HD13 ILE 26 HD13 ILE 26 -8.550 6.564 20.189 233 H VAL 27 H VAL 27 -5.621 6.273 17.135 234 HA VAL 27 HA VAL 27 -4.173 3.935 16.093 235 HB VAL 27 HB VAL 27 -3.578 5.269 14.050 236 HG11 VAL 27 HG11 VAL 27 -5.693 4.887 12.888 237 HG12 VAL 27 HG12 VAL 27 -6.500 4.676 14.442 238 HG13 VAL 27 HG13 VAL 27 -5.256 3.534 13.932 239 HG21 VAL 27 HG21 VAL 27 -5.800 7.089 14.973 240 HG22 VAL 27 HG22 VAL 27 -5.016 7.137 13.394 241 HG23 VAL 27 HG23 VAL 27 -4.092 7.510 14.849 242 H GLU 28 H GLU 28 -1.959 4.040 16.036 243 HA GLU 28 HA GLU 28 -0.712 6.536 16.990 244 HB2 GLU 28 HB2 GLU 28 0.143 3.683 17.445 245 HB3 GLU 28 HB3 GLU 28 1.241 5.040 17.664 246 HG2 GLU 28 HG2 GLU 28 -0.345 5.980 19.325 247 HG3 GLU 28 HG3 GLU 28 -1.323 4.525 19.149 248 H THR 29 H THR 29 1.038 7.306 15.871 249 HA THR 29 HA THR 29 1.111 6.599 13.109 250 HB THR 29 HB THR 29 3.314 8.285 14.136 251 HG1 THR 29 HG1 THR 29 0.567 8.866 14.547 252 HG21 THR 29 HG21 THR 29 2.799 8.062 11.742 253 HG22 THR 29 HG22 THR 29 2.581 9.727 12.289 254 HG23 THR 29 HG23 THR 29 1.178 8.686 12.033 255 H VAL 30 H VAL 30 2.547 5.453 11.983 256 HA VAL 30 HA VAL 30 4.512 3.805 13.297 257 HB VAL 30 HB VAL 30 4.394 4.176 10.315 258 HG11 VAL 30 HG11 VAL 30 4.909 1.774 10.305 259 HG12 VAL 30 HG12 VAL 30 4.879 1.774 12.070 260 HG13 VAL 30 HG13 VAL 30 6.103 2.707 11.207 261 HG21 VAL 30 HG21 VAL 30 2.597 2.534 10.135 262 HG22 VAL 30 HG22 VAL 30 2.057 3.990 10.970 263 HG23 VAL 30 HG23 VAL 30 2.422 2.530 11.891 264 H ASP 31 H ASP 31 4.384 6.880 11.930 265 HA ASP 31 HA ASP 31 7.044 7.372 11.144 266 HB2 ASP 31 HB2 ASP 31 5.147 8.706 10.402 267 HB3 ASP 31 HB3 ASP 31 4.805 9.201 12.050 268 H ALA 32 H ALA 32 8.417 9.055 12.271 269 HA ALA 32 HA ALA 32 9.411 8.102 14.687 270 HB1 ALA 32 HB1 ALA 32 10.862 10.033 14.658 271 HB2 ALA 32 HB2 ALA 32 9.828 10.818 13.461 272 HB3 ALA 32 HB3 ALA 32 10.712 9.349 13.043 273 H ALA 33 H ALA 33 6.940 10.531 14.135 274 HA ALA 33 HA ALA 33 6.963 11.781 16.662 275 HB1 ALA 33 HB1 ALA 33 5.767 12.679 14.724 276 HB2 ALA 33 HB2 ALA 33 4.706 12.518 16.123 277 HB3 ALA 33 HB3 ALA 33 4.622 11.342 14.809 278 H LYS 34 H LYS 34 5.257 8.908 15.476 279 HA LYS 34 HA LYS 34 3.861 7.368 16.398 280 HB2 LYS 34 HB2 LYS 34 5.839 7.697 18.658 281 HB3 LYS 34 HB3 LYS 34 4.604 6.449 18.634 282 HG2 LYS 34 HG2 LYS 34 5.613 5.690 16.434 283 HG3 LYS 34 HG3 LYS 34 6.958 6.771 16.801 284 HD2 LYS 34 HD2 LYS 34 6.003 4.524 18.573 285 HD3 LYS 34 HD3 LYS 34 7.391 4.441 17.489 286 HE2 LYS 34 HE2 LYS 34 8.536 6.146 18.740 287 HE3 LYS 34 HE3 LYS 34 7.110 6.426 19.741 288 HZ1 LYS 34 HZ1 LYS 34 8.591 3.858 19.626 289 HZ2 LYS 34 HZ2 LYS 34 7.327 4.264 20.682 290 HZ3 LYS 34 HZ3 LYS 34 8.823 5.043 20.816 291 H LYS 35 H LYS 35 2.511 9.645 16.492 292 HA LYS 35 HA LYS 35 1.812 10.221 19.253 293 HB2 LYS 35 HB2 LYS 35 0.464 12.106 18.260 294 HB3 LYS 35 HB3 LYS 35 2.196 12.206 18.026 295 HG2 LYS 35 HG2 LYS 35 1.960 11.442 15.735 296 HG3 LYS 35 HG3 LYS 35 0.221 11.269 15.967 297 HD2 LYS 35 HD2 LYS 35 1.749 13.857 16.201 298 HD3 LYS 35 HD3 LYS 35 0.824 13.349 14.786 299 HE2 LYS 35 HE2 LYS 35 -1.197 13.222 16.227 300 HE3 LYS 35 HE3 LYS 35 -0.242 13.875 17.558 301 HZ1 LYS 35 HZ1 LYS 35 -0.761 15.226 14.971 302 HZ2 LYS 35 HZ2 LYS 35 0.171 15.851 16.243 303 HZ3 LYS 35 HZ3 LYS 35 -1.490 15.599 16.454 304 H ARG 36 H ARG 36 -0.191 10.057 20.105 305 HA ARG 36 HA ARG 36 -1.880 8.007 18.949 306 HB2 ARG 36 HB2 ARG 36 -1.934 9.457 21.595 307 HB3 ARG 36 HB3 ARG 36 -3.116 8.247 21.123 308 HG2 ARG 36 HG2 ARG 36 -1.318 6.600 20.894 309 HG3 ARG 36 HG3 ARG 36 -0.155 7.826 21.398 310 HD2 ARG 36 HD2 ARG 36 -1.173 7.984 23.560 311 HD3 ARG 36 HD3 ARG 36 -2.488 6.916 23.066 312 HE ARG 36 HE ARG 36 -0.036 5.579 22.704 313 HH11 ARG 36 HH11 ARG 36 -2.111 6.716 25.294 314 HH12 ARG 36 HH12 ARG 36 -1.614 5.483 26.408 315 HH21 ARG 36 HH21 ARG 36 0.610 3.949 24.164 316 HH22 ARG 36 HH22 ARG 36 -0.081 3.903 25.758 317 H VAL 37 H VAL 37 -3.167 8.672 17.423 318 HA VAL 37 HA VAL 37 -4.362 11.354 17.592 319 HB VAL 37 HB VAL 37 -3.844 9.636 15.141 320 HG11 VAL 37 HG11 VAL 37 -4.278 11.632 13.838 321 HG12 VAL 37 HG12 VAL 37 -4.619 12.541 15.309 322 HG13 VAL 37 HG13 VAL 37 -5.690 11.226 14.816 323 HG21 VAL 37 HG21 VAL 37 -1.780 10.358 16.180 324 HG22 VAL 37 HG22 VAL 37 -2.350 12.028 16.170 325 HG23 VAL 37 HG23 VAL 37 -2.045 11.190 14.648 326 HA PRO 38 HA PRO 38 -8.375 9.264 17.406 327 HB2 PRO 38 HB2 PRO 38 -9.542 11.878 17.100 328 HB3 PRO 38 HB3 PRO 38 -9.674 10.771 18.458 329 HG2 PRO 38 HG2 PRO 38 -8.335 13.147 18.581 330 HG3 PRO 38 HG3 PRO 38 -7.947 11.740 19.588 331 HD2 PRO 38 HD2 PRO 38 -6.595 12.732 17.113 332 HD3 PRO 38 HD3 PRO 38 -5.886 12.050 18.594 333 H ALA 39 H ALA 39 -8.530 8.326 15.470 334 HA ALA 39 HA ALA 39 -8.557 9.927 13.014 335 HB1 ALA 39 HB1 ALA 39 -8.441 7.779 11.845 336 HB2 ALA 39 HB2 ALA 39 -8.580 6.924 13.383 337 HB3 ALA 39 HB3 ALA 39 -7.157 7.911 13.046 338 H TYR 40 H TYR 40 -10.345 9.772 11.522 339 HA TYR 40 HA TYR 40 -12.813 8.895 12.880 340 HB2 TYR 40 HB2 TYR 40 -12.597 11.279 11.019 341 HB3 TYR 40 HB3 TYR 40 -14.016 10.775 11.933 342 HD1 TYR 40 HD1 TYR 40 -13.751 10.771 14.547 343 HD2 TYR 40 HD2 TYR 40 -11.185 12.889 11.891 344 HE1 TYR 40 HE1 TYR 40 -13.028 12.225 16.399 345 HE2 TYR 40 HE2 TYR 40 -10.465 14.339 13.731 346 HH TYR 40 HH TYR 40 -11.279 15.100 15.883 347 H ALA 41 H ALA 41 -14.597 8.368 11.415 348 HA ALA 41 HA ALA 41 -13.717 6.604 9.349 349 HB1 ALA 41 HB1 ALA 41 -16.520 7.421 10.092 350 HB2 ALA 41 HB2 ALA 41 -15.611 6.088 10.801 351 HB3 ALA 41 HB3 ALA 41 -16.064 6.034 9.097 352 H HIS 42 H HIS 42 -14.687 9.856 9.435 353 HA HIS 42 HA HIS 42 -15.363 10.183 6.666 354 HB2 HIS 42 HB2 HIS 42 -16.174 11.629 8.545 355 HB3 HIS 42 HB3 HIS 42 -14.535 12.224 8.753 356 HD1 HIS 42 HD1 HIS 42 -17.429 12.365 6.329 357 HD2 HIS 42 HD2 HIS 42 -13.818 14.289 7.083 358 HE1 HIS 42 HE1 HIS 42 -17.432 14.415 4.872 359 HE2 HIS 42 HE2 HIS 42 -15.248 15.574 5.351 360 H ASP 43 H ASP 43 -12.430 9.908 8.446 361 HA ASP 43 HA ASP 43 -10.902 11.511 6.527 362 HB2 ASP 43 HB2 ASP 43 -10.302 10.564 9.323 363 HB3 ASP 43 HB3 ASP 43 -9.055 11.241 8.279 364 H LYS 44 H LYS 44 -11.482 9.419 5.193 365 HA LYS 44 HA LYS 44 -10.767 7.661 3.969 366 HB2 LYS 44 HB2 LYS 44 -8.500 9.373 4.371 367 HB3 LYS 44 HB3 LYS 44 -7.959 7.706 4.273 368 HG2 LYS 44 HG2 LYS 44 -7.856 8.538 2.092 369 HG3 LYS 44 HG3 LYS 44 -9.304 7.534 2.136 370 HD2 LYS 44 HD2 LYS 44 -10.692 9.511 2.363 371 HD3 LYS 44 HD3 LYS 44 -9.257 10.537 2.420 372 HE2 LYS 44 HE2 LYS 44 -8.667 9.727 0.146 373 HE3 LYS 44 HE3 LYS 44 -10.200 8.858 0.100 374 HZ1 LYS 44 HZ1 LYS 44 -10.422 10.955 -1.013 375 HZ2 LYS 44 HZ2 LYS 44 -9.834 11.792 0.333 376 HZ3 LYS 44 HZ3 LYS 44 -11.333 11.003 0.417 377 H VAL 45 H VAL 45 -11.697 6.190 5.698 378 HA VAL 45 HA VAL 45 -9.573 4.713 7.058 379 HB VAL 45 HB VAL 45 -12.570 4.284 7.214 380 HG11 VAL 45 HG11 VAL 45 -12.085 2.790 9.100 381 HG12 VAL 45 HG12 VAL 45 -10.357 2.991 8.816 382 HG13 VAL 45 HG13 VAL 45 -11.362 2.190 7.608 383 HG21 VAL 45 HG21 VAL 45 -12.365 5.183 9.469 384 HG22 VAL 45 HG22 VAL 45 -11.832 6.355 8.264 385 HG23 VAL 45 HG23 VAL 45 -10.642 5.458 9.206 386 H ILE 46 H ILE 46 -8.504 3.648 5.641 387 HA ILE 46 HA ILE 46 -9.740 1.339 4.326 388 HB ILE 46 HB ILE 46 -7.793 3.271 2.976 389 HG12 ILE 46 HG12 ILE 46 -10.170 3.967 2.797 390 HG13 ILE 46 HG13 ILE 46 -9.453 3.594 1.236 391 HG21 ILE 46 HG21 ILE 46 -8.741 0.602 1.947 392 HG22 ILE 46 HG22 ILE 46 -7.109 1.006 2.478 393 HG23 ILE 46 HG23 ILE 46 -7.782 1.772 1.038 394 HD11 ILE 46 HD11 ILE 46 -11.325 1.829 2.807 395 HD12 ILE 46 HD12 ILE 46 -10.589 1.412 1.259 396 HD13 ILE 46 HD13 ILE 46 -11.724 2.759 1.362 397 H SER 47 H SER 47 -8.527 -0.447 4.968 398 HA SER 47 HA SER 47 -6.045 0.001 6.379 399 HB2 SER 47 HB2 SER 47 -7.659 -1.810 6.995 400 HB3 SER 47 HB3 SER 47 -7.267 -2.628 5.485 401 HG SER 47 HG SER 47 -5.340 -1.932 7.449 402 H LEU 48 H LEU 48 -3.973 -0.725 5.653 403 HA LEU 48 HA LEU 48 -3.410 -0.405 2.886 404 HB2 LEU 48 HB2 LEU 48 -1.957 0.130 4.928 405 HB3 LEU 48 HB3 LEU 48 -1.589 -1.573 4.990 406 HG LEU 48 HG LEU 48 0.097 0.078 3.912 407 HD11 LEU 48 HD11 LEU 48 0.437 -2.313 3.887 408 HD12 LEU 48 HD12 LEU 48 0.876 -1.618 2.326 409 HD13 LEU 48 HD13 LEU 48 -0.653 -2.477 2.511 410 HD21 LEU 48 HD21 LEU 48 -0.183 0.383 1.504 411 HD22 LEU 48 HD22 LEU 48 -1.448 1.198 2.426 412 HD23 LEU 48 HD23 LEU 48 -1.794 -0.327 1.609 413 H ALA 49 H ALA 49 -3.915 -3.181 4.968 414 HA ALA 49 HA ALA 49 -3.059 -5.044 2.934 415 HB1 ALA 49 HB1 ALA 49 -4.276 -5.584 5.628 416 HB2 ALA 49 HB2 ALA 49 -2.552 -5.515 5.265 417 HB3 ALA 49 HB3 ALA 49 -3.552 -6.782 4.553 418 H ASP 50 H ASP 50 -5.705 -3.219 3.161 419 HA ASP 50 HA ASP 50 -7.728 -5.194 2.519 420 HB2 ASP 50 HB2 ASP 50 -8.221 -3.053 3.773 421 HB3 ASP 50 HB3 ASP 50 -7.880 -2.172 2.292 422 H ILE 51 H ILE 51 -5.734 -2.762 0.881 423 HA ILE 51 HA ILE 51 -6.919 -3.007 -1.679 424 HB ILE 51 HB ILE 51 -4.051 -2.145 -1.144 425 HG12 ILE 51 HG12 ILE 51 -5.425 0.168 -1.618 426 HG13 ILE 51 HG13 ILE 51 -6.600 -0.744 -0.675 427 HG21 ILE 51 HG21 ILE 51 -4.492 -2.610 -3.495 428 HG22 ILE 51 HG22 ILE 51 -4.279 -0.877 -3.237 429 HG23 ILE 51 HG23 ILE 51 -5.897 -1.543 -3.459 430 HD11 ILE 51 HD11 ILE 51 -5.242 0.690 0.728 431 HD12 ILE 51 HD12 ILE 51 -3.780 -0.115 0.160 432 HD13 ILE 51 HD13 ILE 51 -4.971 -1.009 1.107 433 H ALA 52 H ALA 52 -6.387 -4.241 -3.420 434 HA ALA 52 HA ALA 52 -4.439 -6.390 -3.053 435 HB1 ALA 52 HB1 ALA 52 -6.025 -8.035 -3.952 436 HB2 ALA 52 HB2 ALA 52 -7.290 -6.804 -3.965 437 HB3 ALA 52 HB3 ALA 52 -6.593 -7.338 -2.434 438 H MET 53 H MET 53 -3.936 -7.475 -5.080 439 HA MET 53 HA MET 53 -4.056 -5.618 -7.357 440 HB2 MET 53 HB2 MET 53 -1.781 -7.258 -6.277 441 HB3 MET 53 HB3 MET 53 -1.828 -6.819 -7.980 442 HG2 MET 53 HG2 MET 53 -2.025 -4.810 -5.758 443 HG3 MET 53 HG3 MET 53 -0.499 -5.300 -6.493 444 HE1 MET 53 HE1 MET 53 -0.169 -2.601 -6.978 445 HE2 MET 53 HE2 MET 53 -1.780 -2.276 -6.336 446 HE3 MET 53 HE3 MET 53 -1.324 -1.668 -7.928 447 H TYR 54 H TYR 54 -5.002 -6.387 -9.072 448 HA TYR 54 HA TYR 54 -5.720 -9.207 -9.152 449 HB2 TYR 54 HB2 TYR 54 -6.686 -6.804 -10.705 450 HB3 TYR 54 HB3 TYR 54 -7.167 -8.451 -11.103 451 HD1 TYR 54 HD2 TYR 54 -8.465 -9.777 -9.489 452 HD2 TYR 54 HD1 TYR 54 -7.651 -5.654 -8.843 453 HE1 TYR 54 HE2 TYR 54 -10.234 -9.704 -7.791 454 HE2 TYR 54 HE1 TYR 54 -9.417 -5.570 -7.131 455 HH TYR 54 HH TYR 54 -10.836 -8.393 -5.840 456 H THR 55 H THR 55 -5.378 -10.495 -10.992 457 HA THR 55 HA THR 55 -3.678 -9.572 -13.122 458 HB THR 55 HB THR 55 -2.037 -10.009 -11.323 459 HG1 THR 55 HG1 THR 55 -0.907 -11.881 -12.562 460 HG21 THR 55 HG21 THR 55 -1.622 -12.290 -10.500 461 HG22 THR 55 HG22 THR 55 -3.064 -12.848 -11.352 462 HG23 THR 55 HG23 THR 55 -3.211 -11.684 -10.034 463 H ASP 56 H ASP 56 -2.969 -12.220 -14.059 464 HA ASP 56 HA ASP 56 -5.312 -13.193 -15.279 465 HB2 ASP 56 HB2 ASP 56 -2.810 -14.807 -14.732 466 HB3 ASP 56 HB3 ASP 56 -3.973 -15.053 -16.028 467 H ALA 57 H ALA 57 -3.775 -13.911 -12.327 468 HA ALA 57 HA ALA 57 -5.428 -16.231 -11.683 469 HB1 ALA 57 HB1 ALA 57 -3.912 -16.418 -9.733 470 HB2 ALA 57 HB2 ALA 57 -3.097 -14.940 -10.262 471 HB3 ALA 57 HB3 ALA 57 -3.046 -16.385 -11.270 472 H GLU 58 H GLU 58 -5.529 -15.924 -8.910 473 HA GLU 58 HA GLU 58 -7.703 -14.135 -8.509 474 HB2 GLU 58 HB2 GLU 58 -6.073 -15.858 -6.642 475 HB3 GLU 58 HB3 GLU 58 -7.313 -14.778 -6.038 476 HG2 GLU 58 HG2 GLU 58 -8.201 -16.993 -6.179 477 HG3 GLU 58 HG3 GLU 58 -8.985 -15.990 -7.395 478 H GLU 59 H GLU 59 -7.659 -12.677 -6.471 479 HA GLU 59 HA GLU 59 -5.686 -10.663 -6.948 480 HB2 GLU 59 HB2 GLU 59 -6.885 -9.405 -5.159 481 HB3 GLU 59 HB3 GLU 59 -7.921 -9.936 -6.473 482 HG2 GLU 59 HG2 GLU 59 -8.669 -11.822 -5.079 483 HG3 GLU 59 HG3 GLU 59 -7.690 -11.200 -3.755 484 H VAL 60 H VAL 60 -3.779 -10.539 -6.080 485 HA VAL 60 HA VAL 60 -3.208 -11.920 -3.573 486 HB VAL 60 HB VAL 60 -0.827 -11.278 -3.976 487 HG11 VAL 60 HG11 VAL 60 -2.169 -12.771 -6.220 488 HG12 VAL 60 HG12 VAL 60 -1.615 -13.447 -4.688 489 HG13 VAL 60 HG13 VAL 60 -0.445 -12.822 -5.850 490 HG21 VAL 60 HG21 VAL 60 -0.158 -10.440 -6.187 491 HG22 VAL 60 HG22 VAL 60 -1.142 -9.268 -5.313 492 HG23 VAL 60 HG23 VAL 60 -1.855 -10.223 -6.614 493 HA PRO 61 HA PRO 61 -3.553 -8.149 -1.202 494 HB2 PRO 61 HB2 PRO 61 -1.186 -8.940 0.362 495 HB3 PRO 61 HB3 PRO 61 -2.848 -8.680 0.888 496 HG2 PRO 61 HG2 PRO 61 -1.759 -11.141 0.758 497 HG3 PRO 61 HG3 PRO 61 -3.478 -10.848 0.433 498 HD2 PRO 61 HD2 PRO 61 -1.234 -11.319 -1.480 499 HD3 PRO 61 HD3 PRO 61 -2.917 -11.885 -1.556 500 H LEU 62 H LEU 62 -2.634 -6.112 -1.065 501 HA LEU 62 HA LEU 62 -0.724 -5.454 -3.021 502 HB2 LEU 62 HB2 LEU 62 -2.470 -3.881 -2.191 503 HB3 LEU 62 HB3 LEU 62 -1.571 -3.736 -0.689 504 HG LEU 62 HG LEU 62 0.306 -2.694 -1.842 505 HD11 LEU 62 HD11 LEU 62 0.225 -2.230 -4.233 506 HD12 LEU 62 HD12 LEU 62 -1.308 -3.093 -4.359 507 HD13 LEU 62 HD13 LEU 62 0.162 -3.964 -3.922 508 HD21 LEU 62 HD21 LEU 62 -0.731 -0.653 -2.647 509 HD22 LEU 62 HD22 LEU 62 -1.521 -1.225 -1.175 510 HD23 LEU 62 HD23 LEU 62 -2.292 -1.468 -2.744 511 H SER 63 H SER 63 -0.465 -5.948 0.424 512 HA SER 63 HA SER 63 2.044 -4.868 0.969 513 HB2 SER 63 HB2 SER 63 0.831 -7.325 2.246 514 HB3 SER 63 HB3 SER 63 2.030 -6.245 2.962 515 HG SER 63 HG SER 63 0.521 -4.737 3.271 516 H GLU 64 H GLU 64 1.257 -7.952 -0.523 517 HA GLU 64 HA GLU 64 3.808 -9.188 -0.099 518 HB2 GLU 64 HB2 GLU 64 1.723 -9.983 -2.136 519 HB3 GLU 64 HB3 GLU 64 2.970 -10.999 -1.433 520 HG2 GLU 64 HG2 GLU 64 0.590 -9.852 0.005 521 HG3 GLU 64 HG3 GLU 64 0.786 -11.519 -0.526 522 H VAL 65 H VAL 65 2.200 -7.682 -2.898 523 HA VAL 65 HA VAL 65 4.513 -8.190 -4.577 524 HB VAL 65 HB VAL 65 2.220 -8.535 -5.423 525 HG11 VAL 65 HG11 VAL 65 0.844 -6.629 -6.106 526 HG12 VAL 65 HG12 VAL 65 1.977 -5.539 -5.303 527 HG13 VAL 65 HG13 VAL 65 1.061 -6.715 -4.357 528 HG21 VAL 65 HG21 VAL 65 3.829 -6.496 -6.949 529 HG22 VAL 65 HG22 VAL 65 2.540 -7.493 -7.627 530 HG23 VAL 65 HG23 VAL 65 4.011 -8.249 -7.011 531 H LEU 66 H LEU 66 3.180 -5.541 -2.796 532 HA LEU 66 HA LEU 66 4.634 -3.354 -3.839 533 HB2 LEU 66 HB2 LEU 66 2.935 -2.705 -2.457 534 HB3 LEU 66 HB3 LEU 66 3.151 -4.052 -1.367 535 HG LEU 66 HG LEU 66 5.234 -2.733 -0.557 536 HD11 LEU 66 HD11 LEU 66 5.247 -1.076 -2.321 537 HD12 LEU 66 HD12 LEU 66 4.954 -0.313 -0.758 538 HD13 LEU 66 HD13 LEU 66 3.617 -0.565 -1.882 539 HD21 LEU 66 HD21 LEU 66 3.236 -3.194 0.753 540 HD22 LEU 66 HD22 LEU 66 2.412 -1.829 -0.001 541 HD23 LEU 66 HD23 LEU 66 3.810 -1.551 1.039 542 H GLU 67 H GLU 67 5.423 -5.891 -1.584 543 HA GLU 67 HA GLU 67 7.907 -4.870 -0.689 544 HB2 GLU 67 HB2 GLU 67 6.294 -6.813 0.146 545 HB3 GLU 67 HB3 GLU 67 7.358 -7.793 -0.847 546 HG2 GLU 67 HG2 GLU 67 8.372 -5.965 1.292 547 HG3 GLU 67 HG3 GLU 67 7.901 -7.632 1.606 548 H ALA 68 H ALA 68 6.922 -7.039 -3.315 549 HA ALA 68 HA ALA 68 9.498 -7.927 -4.035 550 HB1 ALA 68 HB1 ALA 68 7.458 -9.161 -4.533 551 HB2 ALA 68 HB2 ALA 68 8.426 -8.884 -5.982 552 HB3 ALA 68 HB3 ALA 68 6.985 -7.911 -5.682 553 H VAL 69 H VAL 69 7.487 -5.279 -5.386 554 HA VAL 69 HA VAL 69 9.312 -4.646 -7.487 555 HB VAL 69 HB VAL 69 8.103 -2.373 -7.525 556 HG11 VAL 69 HG11 VAL 69 7.609 -4.150 -9.086 557 HG12 VAL 69 HG12 VAL 69 6.125 -3.328 -8.599 558 HG13 VAL 69 HG13 VAL 69 6.528 -4.903 -7.915 559 HG21 VAL 69 HG21 VAL 69 6.274 -3.817 -5.604 560 HG22 VAL 69 HG22 VAL 69 5.904 -2.309 -6.440 561 HG23 VAL 69 HG23 VAL 69 7.212 -2.363 -5.257 562 H LYS 70 H LYS 70 9.019 -3.614 -4.169 563 HA LYS 70 HA LYS 70 10.859 -1.452 -4.242 564 HB2 LYS 70 HB2 LYS 70 9.075 -1.801 -2.550 565 HB3 LYS 70 HB3 LYS 70 9.939 -3.193 -1.933 566 HG2 LYS 70 HG2 LYS 70 11.127 -0.437 -1.888 567 HG3 LYS 70 HG3 LYS 70 10.023 -0.987 -0.639 568 HD2 LYS 70 HD2 LYS 70 12.778 -1.996 -1.289 569 HD3 LYS 70 HD3 LYS 70 12.185 -1.320 0.224 570 HE2 LYS 70 HE2 LYS 70 11.462 -4.006 -0.958 571 HE3 LYS 70 HE3 LYS 70 12.505 -3.719 0.431 572 HZ1 LYS 70 HZ1 LYS 70 10.620 -2.873 1.652 573 HZ2 LYS 70 HZ2 LYS 70 10.265 -4.421 1.054 574 HZ3 LYS 70 HZ3 LYS 70 9.614 -3.052 0.302 575 H LYS 71 H LYS 71 11.169 -4.924 -3.889 576 HA LYS 71 HA LYS 71 13.848 -4.887 -2.846 577 HB2 LYS 71 HB2 LYS 71 12.167 -6.675 -2.359 578 HB3 LYS 71 HB3 LYS 71 12.305 -7.195 -4.030 579 HG2 LYS 71 HG2 LYS 71 14.532 -7.909 -3.743 580 HG3 LYS 71 HG3 LYS 71 14.687 -7.059 -2.206 581 HD2 LYS 71 HD2 LYS 71 12.811 -9.374 -2.671 582 HD3 LYS 71 HD3 LYS 71 14.433 -9.536 -1.997 583 HE2 LYS 71 HE2 LYS 71 13.800 -8.025 -0.165 584 HE3 LYS 71 HE3 LYS 71 12.173 -7.916 -0.831 585 HZ1 LYS 71 HZ1 LYS 71 13.491 -10.355 0.219 586 HZ2 LYS 71 HZ2 LYS 71 11.966 -10.322 -0.517 587 HZ3 LYS 71 HZ3 LYS 71 12.218 -9.497 0.941 588 H LYS 72 H LYS 72 12.349 -5.202 -6.022 589 HA LYS 72 HA LYS 72 14.757 -5.833 -7.430 590 HB2 LYS 72 HB2 LYS 72 12.104 -5.818 -8.096 591 HB3 LYS 72 HB3 LYS 72 12.661 -4.361 -8.902 592 HG2 LYS 72 HG2 LYS 72 13.876 -7.096 -9.279 593 HG3 LYS 72 HG3 LYS 72 12.676 -6.378 -10.352 594 HD2 LYS 72 HD2 LYS 72 14.255 -4.513 -10.783 595 HD3 LYS 72 HD3 LYS 72 15.455 -5.342 -9.794 596 HE2 LYS 72 HE2 LYS 72 14.204 -6.439 -12.309 597 HE3 LYS 72 HE3 LYS 72 15.800 -5.703 -12.203 598 HZ1 LYS 72 HZ1 LYS 72 16.458 -7.455 -10.671 599 HZ2 LYS 72 HZ2 LYS 72 15.953 -8.098 -12.155 600 HZ3 LYS 72 HZ3 LYS 72 14.930 -8.174 -10.805 601 H GLU 73 H GLU 73 13.232 -2.908 -6.321 602 HA GLU 73 HA GLU 73 15.028 -1.115 -7.695 603 HB2 GLU 73 HB2 GLU 73 12.647 -0.603 -7.174 604 HB3 GLU 73 HB3 GLU 73 13.019 -0.654 -5.465 605 HG2 GLU 73 HG2 GLU 73 12.764 1.625 -6.356 606 HG3 GLU 73 HG3 GLU 73 14.338 1.328 -5.633 607 H ASN 74 H ASN 74 15.737 -3.264 -5.453 608 HA ASN 74 HA ASN 74 17.452 -3.655 -4.052 609 HB2 ASN 74 HB2 ASN 74 18.431 -1.256 -5.519 610 HB3 ASN 74 HB3 ASN 74 19.327 -1.770 -4.095 611 HD21 ASN 74 HD21 ASN 74 18.421 -2.538 -7.340 612 HD22 ASN 74 HD22 ASN 74 19.533 -3.848 -7.552 613 H GLY 75 H GLY 75 15.143 -2.288 -3.010 614 HA2 GLY 75 HA2 GLY 75 14.519 -1.700 -0.872 615 HA3 GLY 75 HA3 GLY 75 16.211 -1.716 -0.412 616 H ALA 76 H ALA 76 14.715 0.241 -2.957 617 HA ALA 76 HA ALA 76 15.789 2.617 -1.666 618 HB1 ALA 76 HB1 ALA 76 14.483 2.339 -4.363 619 HB2 ALA 76 HB2 ALA 76 16.218 2.290 -4.046 620 HB3 ALA 76 HB3 ALA 76 15.306 3.768 -3.739 621 H VAL 77 H VAL 77 14.415 4.641 -1.869 622 HA VAL 77 HA VAL 77 12.184 4.321 -0.152 623 HB VAL 77 HB VAL 77 12.834 6.843 -1.687 624 HG11 VAL 77 HG11 VAL 77 11.888 7.961 0.277 625 HG12 VAL 77 HG12 VAL 77 11.546 6.393 1.007 626 HG13 VAL 77 HG13 VAL 77 10.721 6.875 -0.476 627 HG21 VAL 77 HG21 VAL 77 14.888 6.041 -0.641 628 HG22 VAL 77 HG22 VAL 77 14.059 5.914 0.911 629 HG23 VAL 77 HG23 VAL 77 14.293 7.494 0.162 630 H ALA 78 H ALA 78 12.251 5.847 -3.404 631 HA ALA 78 HA ALA 78 10.077 4.483 -4.491 632 HB1 ALA 78 HB1 ALA 78 8.691 5.708 -2.880 633 HB2 ALA 78 HB2 ALA 78 8.402 6.292 -4.519 634 HB3 ALA 78 HB3 ALA 78 9.397 7.239 -3.412 635 H SER 79 H SER 79 11.921 4.528 -5.946 636 HA SER 79 HA SER 79 13.091 6.981 -6.798 637 HB2 SER 79 HB2 SER 79 13.354 4.212 -7.960 638 HB3 SER 79 HB3 SER 79 14.413 5.582 -8.301 639 HG SER 79 HG SER 79 15.062 4.011 -6.601 640 H ILE 80 H ILE 80 10.455 5.113 -7.988 641 HA ILE 80 HA ILE 80 10.415 6.137 -10.635 642 HB ILE 80 HB ILE 80 9.309 4.089 -10.315 643 HG12 ILE 80 HG12 ILE 80 7.092 6.140 -10.549 644 HG13 ILE 80 HG13 ILE 80 8.151 5.651 -11.866 645 HG21 ILE 80 HG21 ILE 80 7.658 5.358 -8.142 646 HG22 ILE 80 HG22 ILE 80 8.954 4.179 -7.935 647 HG23 ILE 80 HG23 ILE 80 7.463 3.713 -8.752 648 HD11 ILE 80 HD11 ILE 80 6.016 4.551 -12.037 649 HD12 ILE 80 HD12 ILE 80 6.192 3.904 -10.405 650 HD13 ILE 80 HD13 ILE 80 7.278 3.366 -11.686 651 H ASN 81 H ASN 81 8.617 7.057 -7.669 652 HA ASN 81 HA ASN 81 7.482 8.896 -7.008 653 HB2 ASN 81 HB2 ASN 81 9.073 10.329 -9.151 654 HB3 ASN 81 HB3 ASN 81 8.081 11.122 -7.934 655 HD21 ASN 81 HD21 ASN 81 11.020 9.474 -8.595 656 HD22 ASN 81 HD22 ASN 81 11.769 9.757 -7.058 657 H TYR 82 H TYR 82 5.388 8.961 -7.288 658 HA TYR 82 HA TYR 82 4.172 8.404 -9.797 659 HB2 TYR 82 HB2 TYR 82 2.051 8.549 -8.626 660 HB3 TYR 82 HB3 TYR 82 3.209 7.627 -7.689 661 HD1 TYR 82 HD1 TYR 82 4.171 8.616 -5.614 662 HD2 TYR 82 HD2 TYR 82 1.057 10.543 -7.773 663 HE1 TYR 82 HE1 TYR 82 3.660 9.982 -3.649 664 HE2 TYR 82 HE2 TYR 82 0.544 11.921 -5.804 665 HH TYR 82 HH TYR 82 0.844 11.846 -3.376 666 H LYS 83 H LYS 83 5.172 11.316 -8.425 667 HA LYS 83 HA LYS 83 3.212 13.098 -9.409 668 HB2 LYS 83 HB2 LYS 83 6.096 13.590 -8.666 669 HB3 LYS 83 HB3 LYS 83 4.920 14.851 -8.993 670 HG2 LYS 83 HG2 LYS 83 4.730 14.847 -6.752 671 HG3 LYS 83 HG3 LYS 83 3.614 13.524 -7.069 672 HD2 LYS 83 HD2 LYS 83 5.137 12.938 -5.265 673 HD3 LYS 83 HD3 LYS 83 5.427 11.910 -6.670 674 HE2 LYS 83 HE2 LYS 83 7.405 13.046 -7.226 675 HE3 LYS 83 HE3 LYS 83 7.019 14.406 -6.173 676 HZ1 LYS 83 HZ1 LYS 83 7.583 11.669 -5.181 677 HZ2 LYS 83 HZ2 LYS 83 7.439 13.088 -4.266 678 HZ3 LYS 83 HZ3 LYS 83 8.756 12.885 -5.307 679 H LYS 84 H LYS 84 6.132 11.723 -10.819 680 HA LYS 84 HA LYS 84 5.479 13.122 -13.319 681 HB2 LYS 84 HB2 LYS 84 7.922 13.191 -13.839 682 HB3 LYS 84 HB3 LYS 84 7.426 14.231 -12.518 683 HG2 LYS 84 HG2 LYS 84 8.398 11.545 -11.769 684 HG3 LYS 84 HG3 LYS 84 9.590 12.650 -12.447 685 HD2 LYS 84 HD2 LYS 84 7.776 13.542 -10.230 686 HD3 LYS 84 HD3 LYS 84 9.212 12.587 -9.873 687 HE2 LYS 84 HE2 LYS 84 9.808 14.871 -9.603 688 HE3 LYS 84 HE3 LYS 84 10.558 14.322 -11.096 689 HZ1 LYS 84 HZ1 LYS 84 8.003 15.832 -10.996 690 HZ2 LYS 84 HZ2 LYS 84 8.936 15.476 -12.367 691 HZ3 LYS 84 HZ3 LYS 84 9.518 16.557 -11.204 692 H ALA 85 H ALA 85 5.100 10.318 -12.122 693 HA ALA 85 HA ALA 85 6.610 8.549 -13.752 694 HB1 ALA 85 HB1 ALA 85 5.623 7.831 -11.623 695 HB2 ALA 85 HB2 ALA 85 5.101 6.808 -12.963 696 HB3 ALA 85 HB3 ALA 85 4.010 8.031 -12.312 697 H SER 86 H SER 86 6.452 8.497 -15.870 698 HA SER 86 HA SER 86 4.136 9.088 -17.407 699 HB2 SER 86 HB2 SER 86 6.333 9.276 -18.399 700 HB3 SER 86 HB3 SER 86 6.708 7.601 -18.009 701 HG SER 86 HG SER 86 6.084 7.324 -19.993 702 H ALA 87 H ALA 87 2.751 7.610 -18.475 703 HA ALA 87 HA ALA 87 1.819 5.552 -16.774 704 HB1 ALA 87 HB1 ALA 87 1.043 6.103 -19.631 705 HB2 ALA 87 HB2 ALA 87 0.368 6.898 -18.208 706 HB3 ALA 87 HB3 ALA 87 0.121 5.170 -18.450 707 H ASP 88 H ASP 88 3.778 5.460 -19.688 708 HA ASP 88 HA ASP 88 3.696 2.658 -20.123 709 HB2 ASP 88 HB2 ASP 88 4.342 4.203 -21.893 710 HB3 ASP 88 HB3 ASP 88 5.721 4.748 -20.949 711 H GLU 89 H GLU 89 5.992 4.760 -18.392 712 HA GLU 89 HA GLU 89 7.702 2.571 -17.702 713 HB2 GLU 89 HB2 GLU 89 9.111 4.116 -16.650 714 HB3 GLU 89 HB3 GLU 89 8.470 4.950 -18.054 715 HG2 GLU 89 HG2 GLU 89 6.862 6.109 -16.600 716 HG3 GLU 89 HG3 GLU 89 7.579 5.309 -15.201 717 H LEU 90 H LEU 90 5.011 4.180 -16.199 718 HA LEU 90 HA LEU 90 5.192 3.206 -13.577 719 HB2 LEU 90 HB2 LEU 90 3.617 4.939 -14.375 720 HB3 LEU 90 HB3 LEU 90 2.752 3.718 -15.285 721 HG LEU 90 HG LEU 90 2.282 2.572 -13.083 722 HD11 LEU 90 HD11 LEU 90 3.241 5.213 -11.994 723 HD12 LEU 90 HD12 LEU 90 4.039 3.655 -11.782 724 HD13 LEU 90 HD13 LEU 90 2.448 3.933 -11.073 725 HD21 LEU 90 HD21 LEU 90 0.446 4.073 -12.554 726 HD22 LEU 90 HD22 LEU 90 0.630 3.882 -14.298 727 HD23 LEU 90 HD23 LEU 90 1.205 5.350 -13.505 728 H HIS 91 H HIS 91 3.555 1.883 -16.462 729 HA HIS 91 HA HIS 91 2.840 -0.598 -15.485 730 HB2 HIS 91 HB2 HIS 91 2.169 0.336 -17.691 731 HB3 HIS 91 HB3 HIS 91 3.799 0.045 -18.280 732 HD1 HIS 91 HD1 HIS 91 0.655 -1.768 -17.307 733 HD2 HIS 91 HD2 HIS 91 4.340 -2.594 -19.034 734 HE1 HIS 91 HE1 HIS 91 0.469 -4.107 -18.211 735 HE2 HIS 91 HE2 HIS 91 2.647 -4.514 -19.409 736 H ALA 92 H ALA 92 5.895 0.317 -17.108 737 HA ALA 92 HA ALA 92 7.031 -2.255 -17.121 738 HB1 ALA 92 HB1 ALA 92 7.720 -0.417 -18.585 739 HB2 ALA 92 HB2 ALA 92 9.088 -1.157 -17.754 740 HB3 ALA 92 HB3 ALA 92 8.453 0.398 -17.206 741 H TYR 93 H TYR 93 7.086 0.228 -14.646 742 HA TYR 93 HA TYR 93 9.248 -0.790 -13.111 743 HB2 TYR 93 HB2 TYR 93 8.373 1.534 -12.964 744 HB3 TYR 93 HB3 TYR 93 6.908 0.911 -12.223 745 HD1 TYR 93 HD2 TYR 93 10.520 1.428 -11.748 746 HD2 TYR 93 HD1 TYR 93 6.849 0.350 -9.885 747 HE1 TYR 93 HE2 TYR 93 11.576 1.647 -9.543 748 HE2 TYR 93 HE1 TYR 93 7.903 0.571 -7.677 749 HH TYR 93 HH TYR 93 10.115 0.530 -6.682 750 H PHE 94 H PHE 94 5.710 -1.187 -12.875 751 HA PHE 94 HA PHE 94 5.927 -2.956 -10.621 752 HB2 PHE 94 HB2 PHE 94 3.965 -1.358 -11.339 753 HB3 PHE 94 HB3 PHE 94 3.448 -2.758 -12.274 754 HD1 PHE 94 HD1 PHE 94 4.206 -1.548 -8.878 755 HD2 PHE 94 HD2 PHE 94 2.399 -4.601 -11.226 756 HE1 PHE 94 HE1 PHE 94 3.145 -2.468 -6.861 757 HE2 PHE 94 HE2 PHE 94 1.341 -5.524 -9.213 758 HZ PHE 94 HZ PHE 94 1.712 -4.458 -7.029 759 H ALA 95 H ALA 95 5.766 -3.237 -14.081 760 HA ALA 95 HA ALA 95 5.120 -6.028 -14.191 761 HB1 ALA 95 HB1 ALA 95 5.484 -5.857 -16.575 762 HB2 ALA 95 HB2 ALA 95 6.223 -4.269 -16.373 763 HB3 ALA 95 HB3 ALA 95 4.512 -4.499 -16.012 764 H GLU 96 H GLU 96 7.836 -4.542 -13.201 765 HA GLU 96 HA GLU 96 9.909 -6.025 -14.416 766 HB2 GLU 96 HB2 GLU 96 10.100 -3.855 -13.126 767 HB3 GLU 96 HB3 GLU 96 9.884 -4.796 -11.657 768 HG2 GLU 96 HG2 GLU 96 12.179 -4.479 -11.857 769 HG3 GLU 96 HG3 GLU 96 11.894 -6.134 -12.385 770 H VAL 97 H VAL 97 7.957 -6.508 -11.471 771 HA VAL 97 HA VAL 97 9.004 -9.253 -11.380 772 HB VAL 97 HB VAL 97 8.347 -9.379 -8.993 773 HG11 VAL 97 HG11 VAL 97 10.206 -8.040 -8.131 774 HG12 VAL 97 HG12 VAL 97 10.297 -7.186 -9.672 775 HG13 VAL 97 HG13 VAL 97 10.647 -8.913 -9.599 776 HG21 VAL 97 HG21 VAL 97 7.867 -6.422 -9.279 777 HG22 VAL 97 HG22 VAL 97 7.923 -7.308 -7.754 778 HG23 VAL 97 HG23 VAL 97 6.653 -7.654 -8.931 779 H LEU 98 H LEU 98 6.125 -7.334 -11.674 780 HA LEU 98 HA LEU 98 4.616 -9.836 -12.035 781 HB2 LEU 98 HB2 LEU 98 3.888 -8.761 -9.937 782 HB3 LEU 98 HB3 LEU 98 3.544 -7.281 -10.809 783 HG LEU 98 HG LEU 98 1.797 -8.521 -12.109 784 HD11 LEU 98 HD11 LEU 98 2.335 -10.706 -10.100 785 HD12 LEU 98 HD12 LEU 98 2.653 -10.783 -11.833 786 HD13 LEU 98 HD13 LEU 98 0.994 -10.662 -11.247 787 HD21 LEU 98 HD21 LEU 98 1.466 -8.493 -9.113 788 HD22 LEU 98 HD22 LEU 98 0.157 -8.557 -10.294 789 HD23 LEU 98 HD23 LEU 98 1.198 -7.135 -10.206 790 HA PRO 99 HA PRO 99 4.851 -7.459 -15.857 791 HB2 PRO 99 HB2 PRO 99 4.958 -9.489 -17.572 792 HB3 PRO 99 HB3 PRO 99 6.286 -9.150 -16.456 793 HG2 PRO 99 HG2 PRO 99 4.156 -11.240 -16.285 794 HG3 PRO 99 HG3 PRO 99 5.880 -11.361 -15.891 795 HD2 PRO 99 HD2 PRO 99 3.838 -10.955 -14.052 796 HD3 PRO 99 HD3 PRO 99 5.554 -10.602 -13.774 797 H ASN 100 H ASN 100 2.236 -7.651 -14.723 798 HA ASN 100 HA ASN 100 0.621 -7.486 -17.107 799 HB2 ASN 100 HB2 ASN 100 0.428 -9.862 -16.689 800 HB3 ASN 100 HB3 ASN 100 0.077 -9.587 -14.991 801 HD21 ASN 100 HD21 ASN 100 -1.830 -10.609 -14.956 802 HD22 ASN 100 HD22 ASN 100 -3.252 -10.077 -15.788 803 H TYR 101 H TYR 101 0.058 -8.021 -13.660 804 HA TYR 101 HA TYR 101 -1.304 -7.193 -12.142 805 HB2 TYR 101 HB2 TYR 101 -0.979 -4.944 -11.404 806 HB3 TYR 101 HB3 TYR 101 0.548 -5.621 -11.920 807 HD1 TYR 101 HD2 TYR 101 -2.180 -3.348 -13.043 808 HD2 TYR 101 HD1 TYR 101 1.927 -4.391 -13.371 809 HE1 TYR 101 HE2 TYR 101 -1.790 -1.325 -14.350 810 HE2 TYR 101 HE1 TYR 101 2.337 -2.356 -14.684 811 HH TYR 101 HH TYR 101 -0.041 0.144 -14.963 812 H ASP 102 H ASP 102 -2.442 -7.184 -15.024 813 HA ASP 102 HA ASP 102 -4.390 -6.895 -16.065 814 HB2 ASP 102 HB2 ASP 102 -5.265 -7.830 -13.897 815 HB3 ASP 102 HB3 ASP 102 -5.650 -6.178 -13.430 816 H ARG 103 H ARG 103 -4.865 -5.426 -17.412 817 HA ARG 103 HA ARG 103 -4.196 -2.694 -17.074 818 HB2 ARG 103 HB2 ARG 103 -3.963 -3.871 -19.198 819 HB3 ARG 103 HB3 ARG 103 -5.692 -4.164 -19.256 820 HG2 ARG 103 HG2 ARG 103 -5.313 -2.407 -20.752 821 HG3 ARG 103 HG3 ARG 103 -5.965 -1.645 -19.300 822 HD2 ARG 103 HD2 ARG 103 -4.162 -0.292 -20.005 823 HD3 ARG 103 HD3 ARG 103 -3.587 -1.196 -18.606 824 HE ARG 103 HE ARG 103 -2.930 -2.596 -20.978 825 HH11 ARG 103 HH11 ARG 103 -1.987 0.248 -19.155 826 HH12 ARG 103 HH12 ARG 103 -0.383 0.306 -19.830 827 HH21 ARG 103 HH21 ARG 103 -0.830 -2.536 -21.844 828 HH22 ARG 103 HH22 ARG 103 0.274 -1.287 -21.353 829 H ASP 104 H ASP 104 -7.163 -4.473 -16.630 830 HA ASP 104 HA ASP 104 -8.854 -2.167 -17.031 831 HB2 ASP 104 HB2 ASP 104 -9.652 -4.263 -17.858 832 HB3 ASP 104 HB3 ASP 104 -9.421 -5.037 -16.300 833 H ARG 105 H ARG 105 -8.037 -4.295 -14.272 834 HA ARG 105 HA ARG 105 -9.729 -2.795 -12.486 835 HB2 ARG 105 HB2 ARG 105 -7.777 -5.039 -11.970 836 HB3 ARG 105 HB3 ARG 105 -8.769 -4.304 -10.724 837 HG2 ARG 105 HG2 ARG 105 -9.812 -5.746 -13.156 838 HG3 ARG 105 HG3 ARG 105 -9.671 -6.434 -11.540 839 HD2 ARG 105 HD2 ARG 105 -11.904 -5.815 -11.618 840 HD3 ARG 105 HD3 ARG 105 -11.160 -4.426 -10.830 841 HE ARG 105 HE ARG 105 -11.761 -4.450 -13.729 842 HH11 ARG 105 HH11 ARG 105 -11.961 -2.838 -10.589 843 HH12 ARG 105 HH12 ARG 105 -12.626 -1.384 -11.258 844 HH21 ARG 105 HH21 ARG 105 -12.596 -2.546 -14.574 845 HH22 ARG 105 HH22 ARG 105 -12.973 -1.213 -13.523 846 H VAL 106 H VAL 106 -6.222 -3.317 -12.661 847 HA VAL 106 HA VAL 106 -5.827 -1.443 -10.501 848 HB VAL 106 HB VAL 106 -3.914 -3.185 -12.055 849 HG11 VAL 106 HG11 VAL 106 -2.729 -1.198 -11.300 850 HG12 VAL 106 HG12 VAL 106 -2.244 -2.618 -10.372 851 HG13 VAL 106 HG13 VAL 106 -3.349 -1.440 -9.665 852 HG21 VAL 106 HG21 VAL 106 -4.994 -3.339 -9.241 853 HG22 VAL 106 HG22 VAL 106 -3.814 -4.438 -9.956 854 HG23 VAL 106 HG23 VAL 106 -5.456 -4.373 -10.596 855 H HIS 107 H HIS 107 -4.757 -1.722 -13.890 856 HA HIS 107 HA HIS 107 -4.569 -0.228 -15.563 857 HB2 HIS 107 HB2 HIS 107 -6.862 0.387 -14.676 858 HB3 HIS 107 HB3 HIS 107 -6.100 1.717 -13.819 859 HD1 HIS 107 HD1 HIS 107 -6.847 3.750 -15.006 860 HD2 HIS 107 HD2 HIS 107 -5.735 0.755 -17.657 861 HE1 HIS 107 HE1 HIS 107 -7.041 4.770 -17.293 862 HE2 HIS 107 HE2 HIS 107 -6.600 2.863 -18.877 863 H ASN 108 H ASN 108 -4.528 2.437 -13.238 864 HA ASN 108 HA ASN 108 -1.628 2.750 -13.587 865 HB2 ASN 108 HB2 ASN 108 -3.653 4.948 -14.105 866 HB3 ASN 108 HB3 ASN 108 -1.922 5.206 -13.961 867 HD21 ASN 108 HD21 ASN 108 -0.557 4.405 -15.606 868 HD22 ASN 108 HD22 ASN 108 -1.179 4.070 -17.186 869 H GLY 109 H GLY 109 -4.585 3.633 -11.878 870 HA2 GLY 109 HA2 GLY 109 -3.349 5.494 -10.122 871 HA3 GLY 109 HA3 GLY 109 -4.990 4.891 -10.013 872 H ASP 110 H ASP 110 -4.103 2.066 -9.806 873 HA ASP 110 HA ASP 110 -3.765 2.067 -6.962 874 HB2 ASP 110 HB2 ASP 110 -3.975 -0.164 -8.971 875 HB3 ASP 110 HB3 ASP 110 -3.717 -0.460 -7.254 876 H ILE 111 H ILE 111 -1.584 1.788 -9.615 877 HA ILE 111 HA ILE 111 0.623 0.812 -8.062 878 HB ILE 111 HB ILE 111 0.946 2.440 -10.582 879 HG12 ILE 111 HG12 ILE 111 -0.721 0.676 -11.076 880 HG13 ILE 111 HG13 ILE 111 0.790 0.412 -11.934 881 HG21 ILE 111 HG21 ILE 111 2.964 1.051 -10.868 882 HG22 ILE 111 HG22 ILE 111 2.589 0.214 -9.360 883 HG23 ILE 111 HG23 ILE 111 2.976 1.934 -9.338 884 HD11 ILE 111 HD11 ILE 111 -0.099 -1.669 -11.102 885 HD12 ILE 111 HD12 ILE 111 -0.129 -1.028 -9.459 886 HD13 ILE 111 HD13 ILE 111 1.413 -1.283 -10.278 887 H LYS 112 H LYS 112 -0.666 3.980 -8.982 888 HA LYS 112 HA LYS 112 1.665 5.387 -8.058 889 HB2 LYS 112 HB2 LYS 112 -0.961 6.278 -9.191 890 HB3 LYS 112 HB3 LYS 112 0.186 7.432 -8.518 891 HG2 LYS 112 HG2 LYS 112 1.903 6.578 -10.079 892 HG3 LYS 112 HG3 LYS 112 0.686 5.526 -10.797 893 HD2 LYS 112 HD2 LYS 112 0.446 8.526 -10.663 894 HD3 LYS 112 HD3 LYS 112 1.113 7.652 -12.042 895 HE2 LYS 112 HE2 LYS 112 -0.996 6.456 -12.309 896 HE3 LYS 112 HE3 LYS 112 -1.664 7.315 -10.921 897 HZ1 LYS 112 HZ1 LYS 112 -0.826 8.487 -13.511 898 HZ2 LYS 112 HZ2 LYS 112 -1.281 9.401 -12.162 899 HZ3 LYS 112 HZ3 LYS 112 -2.406 8.373 -12.904 900 H LYS 113 H LYS 113 -1.453 4.601 -6.649 901 HA LYS 113 HA LYS 113 -1.167 6.291 -4.366 902 HB2 LYS 113 HB2 LYS 113 -2.871 4.865 -3.308 903 HB3 LYS 113 HB3 LYS 113 -3.351 5.333 -4.931 904 HG2 LYS 113 HG2 LYS 113 -2.683 3.134 -5.764 905 HG3 LYS 113 HG3 LYS 113 -2.183 2.668 -4.142 906 HD2 LYS 113 HD2 LYS 113 -4.352 1.730 -4.618 907 HD3 LYS 113 HD3 LYS 113 -4.522 2.972 -3.378 908 HE2 LYS 113 HE2 LYS 113 -5.394 4.530 -4.966 909 HE3 LYS 113 HE3 LYS 113 -5.012 3.451 -6.310 910 HZ1 LYS 113 HZ1 LYS 113 -6.626 1.885 -5.509 911 HZ2 LYS 113 HZ2 LYS 113 -7.366 3.399 -5.710 912 HZ3 LYS 113 HZ3 LYS 113 -6.961 2.852 -4.155 913 H LEU 114 H LEU 114 0.023 3.154 -5.271 914 HA LEU 114 HA LEU 114 1.042 2.342 -2.760 915 HB2 LEU 114 HB2 LEU 114 0.637 0.633 -4.285 916 HB3 LEU 114 HB3 LEU 114 1.356 1.504 -5.616 917 HG LEU 114 HG LEU 114 3.187 0.538 -3.456 918 HD11 LEU 114 HD11 LEU 114 2.013 -1.212 -5.607 919 HD12 LEU 114 HD12 LEU 114 1.691 -1.354 -3.879 920 HD13 LEU 114 HD13 LEU 114 3.315 -1.649 -4.499 921 HD21 LEU 114 HD21 LEU 114 3.375 0.601 -6.469 922 HD22 LEU 114 HD22 LEU 114 4.673 0.183 -5.347 923 HD23 LEU 114 HD23 LEU 114 4.029 1.826 -5.383 924 H ILE 115 H ILE 115 2.278 4.384 -5.344 925 HA ILE 115 HA ILE 115 4.982 4.495 -4.405 926 HB ILE 115 HB ILE 115 3.678 6.690 -6.023 927 HG12 ILE 115 HG12 ILE 115 3.152 4.626 -7.200 928 HG13 ILE 115 HG13 ILE 115 4.389 5.514 -8.077 929 HG21 ILE 115 HG21 ILE 115 6.522 5.679 -5.898 930 HG22 ILE 115 HG22 ILE 115 5.907 7.173 -5.190 931 HG23 ILE 115 HG23 ILE 115 5.941 6.979 -6.943 932 HD11 ILE 115 HD11 ILE 115 6.090 3.996 -7.202 933 HD12 ILE 115 HD12 ILE 115 4.834 3.135 -8.093 934 HD13 ILE 115 HD13 ILE 115 4.842 3.106 -6.328 935 H SER 116 H SER 116 2.047 6.249 -3.656 936 HA SER 116 HA SER 116 3.202 8.351 -2.167 937 HB2 SER 116 HB2 SER 116 0.876 8.398 -2.980 938 HB3 SER 116 HB3 SER 116 0.467 7.085 -1.877 939 HG SER 116 HG SER 116 1.655 9.039 -0.498 940 H TRP 117 H TRP 117 2.142 5.068 -1.266 941 HA TRP 117 HA TRP 117 2.814 5.490 1.520 942 HB2 TRP 117 HB2 TRP 117 2.114 2.880 0.164 943 HB3 TRP 117 HB3 TRP 117 2.132 3.199 1.900 944 HD1 TRP 117 HD1 TRP 117 0.496 5.792 2.127 945 HE1 TRP 117 HE1 TRP 117 -2.005 5.863 1.525 946 HE3 TRP 117 HE3 TRP 117 0.267 1.681 -0.907 947 HZ2 TRP 117 HZ2 TRP 117 -3.827 4.384 -0.027 948 HZ3 TRP 117 HZ3 TRP 117 -1.897 1.085 -1.903 949 HH2 TRP 117 HH2 TRP 117 -3.897 2.406 -1.471 950 H TYR 118 H TYR 118 4.344 4.307 -1.299 951 HA TYR 118 HA TYR 118 6.432 2.699 -0.498 952 HB2 TYR 118 HB2 TYR 118 5.651 4.205 -2.730 953 HB3 TYR 118 HB3 TYR 118 7.282 4.730 -2.371 954 HD1 TYR 118 HD1 TYR 118 6.356 1.227 -1.726 955 HD2 TYR 118 HD2 TYR 118 7.977 3.995 -4.506 956 HE1 TYR 118 HE1 TYR 118 7.244 -0.630 -3.073 957 HE2 TYR 118 HE2 TYR 118 8.857 2.159 -5.849 958 HH TYR 118 HH TYR 118 7.939 -1.032 -5.413 959 H ASN 119 H ASN 119 6.258 6.234 -0.540 960 HA ASN 119 HA ASN 119 8.831 6.859 0.395 961 HB2 ASN 119 HB2 ASN 119 6.202 8.309 0.566 962 HB3 ASN 119 HB3 ASN 119 7.672 8.989 1.240 963 HD21 ASN 119 HD21 ASN 119 9.457 8.122 -0.765 964 HD22 ASN 119 HD22 ASN 119 9.089 9.007 -2.202 965 H ILE 120 H ILE 120 5.782 6.466 2.125 966 HA ILE 120 HA ILE 120 6.672 7.166 4.714 967 HB ILE 120 HB ILE 120 4.315 5.385 4.059 968 HG12 ILE 120 HG12 ILE 120 4.253 8.402 4.138 969 HG13 ILE 120 HG13 ILE 120 4.494 7.510 2.639 970 HG21 ILE 120 HG21 ILE 120 4.812 5.635 6.439 971 HG22 ILE 120 HG22 ILE 120 3.304 6.453 6.028 972 HG23 ILE 120 HG23 ILE 120 4.777 7.391 6.272 973 HD11 ILE 120 HD11 ILE 120 2.097 7.304 4.447 974 HD12 ILE 120 HD12 ILE 120 2.332 6.430 2.932 975 HD13 ILE 120 HD13 ILE 120 2.178 8.187 2.922 976 H LEU 121 H LEU 121 6.405 4.113 3.026 977 HA LEU 121 HA LEU 121 6.761 2.266 5.091 978 HB2 LEU 121 HB2 LEU 121 7.000 2.335 2.157 979 HB3 LEU 121 HB3 LEU 121 7.911 1.064 2.940 980 HG LEU 121 HG LEU 121 5.994 -0.060 3.638 981 HD11 LEU 121 HD11 LEU 121 4.796 1.838 4.658 982 HD12 LEU 121 HD12 LEU 121 3.749 0.814 3.674 983 HD13 LEU 121 HD13 LEU 121 4.310 2.364 3.045 984 HD21 LEU 121 HD21 LEU 121 4.585 -0.194 1.646 985 HD22 LEU 121 HD22 LEU 121 6.307 -0.168 1.268 986 HD23 LEU 121 HD23 LEU 121 5.334 1.285 1.043 987 H VAL 122 H VAL 122 9.187 3.522 2.816 988 HA VAL 122 HA VAL 122 11.381 2.261 4.139 989 HB VAL 122 HB VAL 122 11.409 4.455 2.048 990 HG11 VAL 122 HG11 VAL 122 13.659 3.672 1.509 991 HG12 VAL 122 HG12 VAL 122 13.576 2.496 2.821 992 HG13 VAL 122 HG13 VAL 122 13.572 4.222 3.184 993 HG21 VAL 122 HG21 VAL 122 10.171 2.494 1.302 994 HG22 VAL 122 HG22 VAL 122 11.532 1.458 1.733 995 HG23 VAL 122 HG23 VAL 122 11.699 2.638 0.432 996 H ASN 123 H ASN 123 9.878 5.410 4.331 997 HA ASN 123 HA ASN 123 11.985 6.840 5.580 998 HB2 ASN 123 HB2 ASN 123 9.788 7.675 4.418 999 HB3 ASN 123 HB3 ASN 123 9.098 7.518 6.027 1000 HD21 ASN 123 HD21 ASN 123 12.381 8.482 5.226 1001 HD22 ASN 123 HD22 ASN 123 12.249 10.097 5.846 1002 H ASN 124 H ASN 124 9.288 4.964 6.835 1003 HA ASN 124 HA ASN 124 9.985 5.774 9.560 1004 HB2 ASN 124 HB2 ASN 124 7.563 4.284 8.534 1005 HB3 ASN 124 HB3 ASN 124 7.837 4.736 10.210 1006 HD21 ASN 124 HD21 ASN 124 9.033 7.341 9.316 1007 HD22 ASN 124 HD22 ASN 124 7.669 8.320 8.915 1008 H GLY 125 H GLY 125 10.794 3.386 7.457 1009 HA2 GLY 125 HA2 GLY 125 11.747 1.309 7.654 1010 HA3 GLY 125 HA3 GLY 125 11.970 1.678 9.358 1011 H ILE 126 H ILE 126 9.099 1.201 7.325 1012 HA ILE 126 HA ILE 126 7.720 -0.210 9.391 1013 HB ILE 126 HB ILE 126 6.955 0.066 6.470 1014 HG12 ILE 126 HG12 ILE 126 6.351 1.808 8.883 1015 HG13 ILE 126 HG13 ILE 126 7.269 2.269 7.456 1016 HG21 ILE 126 HG21 ILE 126 5.744 -1.727 7.619 1017 HG22 ILE 126 HG22 ILE 126 4.667 -0.374 7.266 1018 HG23 ILE 126 HG23 ILE 126 5.284 -0.607 8.902 1019 HD11 ILE 126 HD11 ILE 126 5.233 2.131 6.112 1020 HD12 ILE 126 HD12 ILE 126 5.067 3.273 7.447 1021 HD13 ILE 126 HD13 ILE 126 4.318 1.679 7.552 1022 H THR 127 H THR 127 8.133 -2.180 9.936 1023 HA THR 127 HA THR 127 9.426 -3.997 8.042 1024 HB THR 127 HB THR 127 10.679 -3.448 10.083 1025 HG1 THR 127 HG1 THR 127 10.654 -5.668 9.117 1026 HG21 THR 127 HG21 THR 127 9.935 -4.203 12.299 1027 HG22 THR 127 HG22 THR 127 8.395 -4.711 11.606 1028 HG23 THR 127 HG23 THR 127 8.834 -3.003 11.623 1029 H GLU 128 H GLU 128 6.504 -3.392 8.321 1030 HA GLU 128 HA GLU 128 5.415 -5.938 9.251 1031 HB2 GLU 128 HB2 GLU 128 4.204 -3.241 8.711 1032 HB3 GLU 128 HB3 GLU 128 3.222 -4.675 8.997 1033 HG2 GLU 128 HG2 GLU 128 4.262 -4.969 11.172 1034 HG3 GLU 128 HG3 GLU 128 5.278 -3.557 10.883 1035 H PHE 129 H PHE 129 6.835 -5.913 6.849 1036 HA PHE 129 HA PHE 129 5.189 -7.457 5.209 1037 HB2 PHE 129 HB2 PHE 129 4.989 -6.153 3.172 1038 HB3 PHE 129 HB3 PHE 129 4.239 -5.255 4.479 1039 HD1 PHE 129 HD1 PHE 129 5.775 -3.416 5.589 1040 HD2 PHE 129 HD2 PHE 129 6.409 -5.082 1.727 1041 HE1 PHE 129 HE1 PHE 129 7.107 -1.459 4.962 1042 HE2 PHE 129 HE2 PHE 129 7.760 -3.135 1.105 1043 HZ PHE 129 HZ PHE 129 8.110 -1.318 2.722 1044 H VAL 130 H VAL 130 8.064 -5.635 5.777 1045 HA VAL 130 HA VAL 130 9.687 -7.574 4.278 1046 HB VAL 130 HB VAL 130 9.432 -5.361 3.078 1047 HG11 VAL 130 HG11 VAL 130 10.667 -3.404 3.884 1048 HG12 VAL 130 HG12 VAL 130 10.948 -4.236 5.415 1049 HG13 VAL 130 HG13 VAL 130 9.303 -3.842 4.913 1050 HG21 VAL 130 HG21 VAL 130 11.357 -6.721 2.558 1051 HG22 VAL 130 HG22 VAL 130 12.254 -6.020 3.907 1052 HG23 VAL 130 HG23 VAL 130 11.796 -5.012 2.534 1053 H GLU 131 H GLU 131 12.173 -6.994 5.132 1054 HA GLU 131 HA GLU 131 12.385 -7.439 7.914 1055 HB2 GLU 131 HB2 GLU 131 14.809 -7.049 7.501 1056 HB3 GLU 131 HB3 GLU 131 14.100 -8.183 6.362 1057 HG2 GLU 131 HG2 GLU 131 13.920 -6.325 4.715 1058 HG3 GLU 131 HG3 GLU 131 14.776 -5.293 5.855 1059 H ALA 132 H ALA 132 14.357 -5.697 8.832 1060 HA ALA 132 HA ALA 132 12.860 -3.166 8.965 1061 HB1 ALA 132 HB1 ALA 132 14.861 -4.294 10.923 1062 HB2 ALA 132 HB2 ALA 132 13.105 -4.326 11.098 1063 HB3 ALA 132 HB3 ALA 132 13.963 -2.786 11.111 1064 HA PRO 133 HA PRO 133 16.595 -1.589 6.883 1065 HB2 PRO 133 HB2 PRO 133 15.034 0.208 5.356 1066 HB3 PRO 133 HB3 PRO 133 15.728 -1.318 4.807 1067 HG2 PRO 133 HG2 PRO 133 13.001 -0.763 5.082 1068 HG3 PRO 133 HG3 PRO 133 13.723 -2.370 4.904 1069 HD2 PRO 133 HD2 PRO 133 12.802 -0.966 7.368 1070 HD3 PRO 133 HD3 PRO 133 12.736 -2.693 6.952 1071 H ALA 134 H ALA 134 17.152 0.839 6.449 1072 HA ALA 134 HA ALA 134 17.858 2.759 7.385 1073 HB1 ALA 134 HB1 ALA 134 15.091 2.933 8.590 1074 HB2 ALA 134 HB2 ALA 134 15.550 3.501 6.984 1075 HB3 ALA 134 HB3 ALA 134 16.244 4.259 8.418 1076 H LEU 135 H LEU 135 19.441 1.848 8.597 1077 HA LEU 135 HA LEU 135 18.878 0.707 11.196 1078 HB2 LEU 135 HB2 LEU 135 21.535 1.170 9.839 1079 HB3 LEU 135 HB3 LEU 135 21.272 0.208 11.278 1080 HG LEU 135 HG LEU 135 20.294 -0.432 8.489 1081 HD11 LEU 135 HD11 LEU 135 21.819 -2.334 8.678 1082 HD12 LEU 135 HD12 LEU 135 22.358 -1.742 10.250 1083 HD13 LEU 135 HD13 LEU 135 22.671 -0.794 8.794 1084 HD21 LEU 135 HD21 LEU 135 19.928 -1.983 11.054 1085 HD22 LEU 135 HD22 LEU 135 19.512 -2.551 9.437 1086 HD23 LEU 135 HD23 LEU 135 18.657 -1.175 10.134 1087 H GLU 136 H GLU 136 20.098 3.694 9.890 1088 HA GLU 136 HA GLU 136 20.821 4.755 12.451 1089 HB2 GLU 136 HB2 GLU 136 20.488 7.002 11.006 1090 HB3 GLU 136 HB3 GLU 136 21.956 6.047 10.981 1091 HG2 GLU 136 HG2 GLU 136 21.481 6.613 8.745 1092 HG3 GLU 136 HG3 GLU 136 21.063 4.917 8.926 1093 H HIS 137 H HIS 137 18.037 4.845 10.323 1094 HA HIS 137 HA HIS 137 15.834 5.138 10.633 1095 HB2 HIS 137 HB2 HIS 137 16.729 3.656 12.808 1096 HB3 HIS 137 HB3 HIS 137 15.750 4.922 13.542 1097 HD1 HIS 137 HD1 HIS 137 15.088 1.781 13.266 1098 HD2 HIS 137 HD2 HIS 137 13.408 4.901 11.097 1099 HE1 HIS 137 HE1 HIS 137 12.862 0.925 12.469 1100 HE2 HIS 137 HE2 HIS 137 11.787 2.896 11.332 1101 H HIS 138 H HIS 138 14.651 6.213 13.163 1102 HA HIS 138 HA HIS 138 13.900 8.086 14.082 1103 HB2 HIS 138 HB2 HIS 138 16.620 9.224 13.413 1104 HB3 HIS 138 HB3 HIS 138 15.436 10.007 14.450 1105 HD1 HIS 138 HD1 HIS 138 18.337 7.992 14.639 1106 HD2 HIS 138 HD2 HIS 138 14.752 8.118 16.733 1107 HE1 HIS 138 HE1 HIS 138 18.778 6.793 16.805 1108 HE2 HIS 138 HE2 HIS 138 16.565 6.776 18.002 1109 H HIS 139 H HIS 139 15.784 10.103 11.976 1110 HA HIS 139 HA HIS 139 15.371 11.474 10.262 1111 HB2 HIS 139 HB2 HIS 139 12.868 9.859 9.696 1112 HB3 HIS 139 HB3 HIS 139 13.568 11.069 8.630 1113 HD1 HIS 139 HD1 HIS 139 13.220 7.729 8.450 1114 HD2 HIS 139 HD2 HIS 139 16.666 10.043 8.592 1115 HE1 HIS 139 HE1 HIS 139 15.044 6.281 7.506 1116 HE2 HIS 139 HE2 HIS 139 17.152 7.617 7.830 1117 H HIS 140 H HIS 140 14.183 13.356 9.673 1118 HA HIS 140 HA HIS 140 12.659 14.307 12.002 1119 HB2 HIS 140 HB2 HIS 140 14.126 15.920 9.890 1120 HB3 HIS 140 HB3 HIS 140 13.253 16.595 11.261 1121 HD1 HIS 140 HD1 HIS 140 16.513 16.291 10.341 1122 HD2 HIS 140 HD2 HIS 140 14.488 14.973 13.719 1123 HE1 HIS 140 HE1 HIS 140 18.285 15.949 12.093 1124 HE2 HIS 140 HE2 HIS 140 17.013 15.299 14.173 1125 H HIS 141 H HIS 141 10.792 13.208 11.151 1126 HA HIS 141 HA HIS 141 9.413 14.787 9.097 1127 HB2 HIS 141 HB2 HIS 141 10.198 12.564 8.206 1128 HB3 HIS 141 HB3 HIS 141 9.212 11.776 9.429 1129 HD1 HIS 141 HD1 HIS 141 6.988 11.092 8.667 1130 HD2 HIS 141 HD2 HIS 141 8.458 14.271 6.429 1131 HE1 HIS 141 HE1 HIS 141 5.283 11.490 6.857 1132 HE2 HIS 141 HE2 HIS 141 6.237 13.352 5.457 1133 H HIS 142 H HIS 142 7.366 15.335 9.566 1134 HA HIS 142 HA HIS 142 6.366 14.752 12.229 1135 HB2 HIS 142 HB2 HIS 142 4.509 16.400 11.561 1136 HB3 HIS 142 HB3 HIS 142 6.129 17.035 11.769 1137 HD1 HIS 142 HD1 HIS 142 6.495 18.834 10.130 1138 HD2 HIS 142 HD2 HIS 142 4.282 15.718 8.488 1139 HE1 HIS 142 HE1 HIS 142 6.115 19.464 7.724 1140 HE2 HIS 142 HE2 HIS 142 4.983 17.463 6.710 Start of MODEL 7 1 H1 MET 1 H1 MET 1 0.737 -8.079 11.486 2 H2 MET 1 H2 MET 1 1.830 -8.922 10.497 3 H3 MET 1 H3 MET 1 1.389 -9.557 12.004 4 HA MET 1 HA MET 1 0.259 -10.727 10.236 5 HB2 MET 1 HB2 MET 1 -0.802 -10.246 12.507 6 HB3 MET 1 HB3 MET 1 -1.705 -8.960 11.717 7 HG2 MET 1 HG2 MET 1 -2.551 -10.749 10.123 8 HG3 MET 1 HG3 MET 1 -1.890 -11.922 11.256 9 HE1 MET 1 HE1 MET 1 -4.591 -9.301 10.471 10 HE2 MET 1 HE2 MET 1 -3.781 -8.463 11.797 11 HE3 MET 1 HE3 MET 1 -5.421 -9.069 12.015 12 H LEU 2 H LEU 2 0.506 -7.377 9.784 13 HA LEU 2 HA LEU 2 -0.388 -5.752 8.503 14 HB2 LEU 2 HB2 LEU 2 -1.080 -8.110 6.780 15 HB3 LEU 2 HB3 LEU 2 -1.766 -6.544 6.412 16 HG LEU 2 HG LEU 2 0.146 -6.850 5.018 17 HD11 LEU 2 HD11 LEU 2 1.577 -4.967 5.667 18 HD12 LEU 2 HD12 LEU 2 0.818 -4.952 7.258 19 HD13 LEU 2 HD13 LEU 2 -0.140 -4.596 5.820 20 HD21 LEU 2 HD21 LEU 2 1.310 -8.565 6.280 21 HD22 LEU 2 HD22 LEU 2 1.753 -7.382 7.508 22 HD23 LEU 2 HD23 LEU 2 2.401 -7.240 5.873 23 H LYS 3 H LYS 3 -2.839 -5.427 7.232 24 HA LYS 3 HA LYS 3 -5.064 -5.066 7.481 25 HB2 LYS 3 HB2 LYS 3 -5.032 -7.032 9.775 26 HB3 LYS 3 HB3 LYS 3 -6.469 -6.344 9.035 27 HG2 LYS 3 HG2 LYS 3 -5.798 -7.425 6.892 28 HG3 LYS 3 HG3 LYS 3 -4.482 -8.218 7.764 29 HD2 LYS 3 HD2 LYS 3 -6.134 -9.250 9.270 30 HD3 LYS 3 HD3 LYS 3 -7.429 -8.485 8.347 31 HE2 LYS 3 HE2 LYS 3 -6.621 -9.683 6.330 32 HE3 LYS 3 HE3 LYS 3 -5.463 -10.536 7.350 33 HZ1 LYS 3 HZ1 LYS 3 -7.515 -11.801 6.932 34 HZ2 LYS 3 HZ2 LYS 3 -8.404 -10.601 7.736 35 HZ3 LYS 3 HZ3 LYS 3 -7.249 -11.509 8.578 36 H THR 4 H THR 4 -3.179 -4.991 10.405 37 HA THR 4 HA THR 4 -4.666 -3.072 11.874 38 HB THR 4 HB THR 4 -1.684 -3.605 12.014 39 HG1 THR 4 HG1 THR 4 -3.715 -4.982 13.458 40 HG21 THR 4 HG21 THR 4 -1.935 -3.053 14.388 41 HG22 THR 4 HG22 THR 4 -3.660 -2.773 14.149 42 HG23 THR 4 HG23 THR 4 -2.480 -1.713 13.377 43 H ILE 5 H ILE 5 -2.326 -2.906 9.313 44 HA ILE 5 HA ILE 5 -1.899 -0.073 9.521 45 HB ILE 5 HB ILE 5 -1.082 -2.171 7.521 46 HG12 ILE 5 HG12 ILE 5 0.170 -2.077 9.624 47 HG13 ILE 5 HG13 ILE 5 1.178 -1.655 8.246 48 HG21 ILE 5 HG21 ILE 5 0.229 -0.480 6.310 49 HG22 ILE 5 HG22 ILE 5 -0.565 0.781 7.256 50 HG23 ILE 5 HG23 ILE 5 -1.513 -0.239 6.167 51 HD11 ILE 5 HD11 ILE 5 0.972 0.712 8.822 52 HD12 ILE 5 HD12 ILE 5 1.645 -0.228 10.154 53 HD13 ILE 5 HD13 ILE 5 -0.042 0.286 10.201 54 H LEU 6 H LEU 6 -3.308 1.347 8.896 55 HA LEU 6 HA LEU 6 -5.251 0.690 6.806 56 HB2 LEU 6 HB2 LEU 6 -5.302 2.461 9.194 57 HB3 LEU 6 HB3 LEU 6 -6.181 3.012 7.785 58 HG LEU 6 HG LEU 6 -7.526 0.920 7.841 59 HD11 LEU 6 HD11 LEU 6 -6.140 0.410 10.467 60 HD12 LEU 6 HD12 LEU 6 -5.945 -0.546 8.998 61 HD13 LEU 6 HD13 LEU 6 -7.506 -0.496 9.817 62 HD21 LEU 6 HD21 LEU 6 -7.529 2.548 10.373 63 HD22 LEU 6 HD22 LEU 6 -8.852 1.528 9.809 64 HD23 LEU 6 HD23 LEU 6 -8.366 2.941 8.871 65 H SER 7 H SER 7 -5.282 1.822 4.953 66 HA SER 7 HA SER 7 -3.025 3.589 4.431 67 HB2 SER 7 HB2 SER 7 -5.026 2.258 2.591 68 HB3 SER 7 HB3 SER 7 -3.658 3.237 2.057 69 HG SER 7 HG SER 7 -2.268 1.723 2.856 70 H ILE 8 H ILE 8 -3.210 5.644 3.770 71 HA ILE 8 HA ILE 8 -5.876 6.885 3.907 72 HB ILE 8 HB ILE 8 -3.324 8.068 5.049 73 HG12 ILE 8 HG12 ILE 8 -4.012 6.137 6.412 74 HG13 ILE 8 HG13 ILE 8 -4.215 7.648 7.288 75 HG21 ILE 8 HG21 ILE 8 -4.944 9.739 4.321 76 HG22 ILE 8 HG22 ILE 8 -4.817 9.726 6.080 77 HG23 ILE 8 HG23 ILE 8 -6.200 8.969 5.291 78 HD11 ILE 8 HD11 ILE 8 -6.409 6.047 5.984 79 HD12 ILE 8 HD12 ILE 8 -6.625 7.566 6.853 80 HD13 ILE 8 HD13 ILE 8 -6.061 6.132 7.712 81 H ALA 9 H ALA 9 -6.276 8.297 2.304 82 HA ALA 9 HA ALA 9 -4.034 9.015 0.533 83 HB1 ALA 9 HB1 ALA 9 -6.915 8.594 -0.243 84 HB2 ALA 9 HB2 ALA 9 -5.590 7.469 -0.544 85 HB3 ALA 9 HB3 ALA 9 -5.601 9.050 -1.327 86 H GLY 10 H GLY 10 -3.744 11.095 0.032 87 HA2 GLY 10 HA2 GLY 10 -5.110 13.271 -0.267 88 HA3 GLY 10 HA3 GLY 10 -5.430 13.037 1.445 89 H LYS 11 H LYS 11 -3.850 13.452 2.949 90 HA LYS 11 HA LYS 11 -1.361 14.573 1.871 91 HB2 LYS 11 HB2 LYS 11 -2.972 15.497 4.235 92 HB3 LYS 11 HB3 LYS 11 -1.283 15.940 4.037 93 HG2 LYS 11 HG2 LYS 11 -1.797 17.007 1.906 94 HG3 LYS 11 HG3 LYS 11 -3.488 16.529 2.067 95 HD2 LYS 11 HD2 LYS 11 -3.743 17.910 4.024 96 HD3 LYS 11 HD3 LYS 11 -2.021 18.292 4.024 97 HE2 LYS 11 HE2 LYS 11 -3.301 20.142 3.110 98 HE3 LYS 11 HE3 LYS 11 -2.277 19.425 1.869 99 HZ1 LYS 11 HZ1 LYS 11 -5.181 18.917 2.217 100 HZ2 LYS 11 HZ2 LYS 11 -4.201 18.250 1.006 101 HZ3 LYS 11 HZ3 LYS 11 -4.490 19.920 1.037 102 HA PRO 12 HA PRO 12 0.153 11.918 5.561 103 HB2 PRO 12 HB2 PRO 12 -1.571 10.339 6.943 104 HB3 PRO 12 HB3 PRO 12 -1.157 11.982 7.439 105 HG2 PRO 12 HG2 PRO 12 -3.584 10.978 6.038 106 HG3 PRO 12 HG3 PRO 12 -3.440 12.221 7.293 107 HD2 PRO 12 HD2 PRO 12 -3.737 12.750 4.626 108 HD3 PRO 12 HD3 PRO 12 -2.966 13.853 5.781 109 H GLY 13 H GLY 13 -0.462 9.154 6.165 110 HA2 GLY 13 HA2 GLY 13 -0.434 8.082 3.434 111 HA3 GLY 13 HA3 GLY 13 1.001 7.889 4.423 112 H LEU 14 H LEU 14 0.494 6.881 6.663 113 HA LEU 14 HA LEU 14 -1.583 4.834 6.435 114 HB2 LEU 14 HB2 LEU 14 1.309 4.214 7.062 115 HB3 LEU 14 HB3 LEU 14 -0.012 3.064 7.068 116 HG LEU 14 HG LEU 14 0.676 4.534 4.548 117 HD11 LEU 14 HD11 LEU 14 2.184 2.712 3.957 118 HD12 LEU 14 HD12 LEU 14 2.004 2.038 5.577 119 HD13 LEU 14 HD13 LEU 14 2.766 3.613 5.356 120 HD21 LEU 14 HD21 LEU 14 -1.385 3.221 4.631 121 HD22 LEU 14 HD22 LEU 14 -0.458 1.797 5.109 122 HD23 LEU 14 HD23 LEU 14 -0.214 2.515 3.516 123 H TYR 15 H TYR 15 -2.205 3.927 8.436 124 HA TYR 15 HA TYR 15 -0.989 5.072 10.861 125 HB2 TYR 15 HB2 TYR 15 -3.943 4.875 10.250 126 HB3 TYR 15 HB3 TYR 15 -3.313 5.111 11.872 127 HD1 TYR 15 HD1 TYR 15 -1.223 7.105 11.494 128 HD2 TYR 15 HD2 TYR 15 -5.040 6.808 9.655 129 HE1 TYR 15 HE1 TYR 15 -1.237 9.533 11.140 130 HE2 TYR 15 HE2 TYR 15 -5.062 9.240 9.291 131 HH TYR 15 HH TYR 15 -4.014 11.252 10.224 132 H LYS 16 H LYS 16 -0.972 3.698 12.660 133 HA LYS 16 HA LYS 16 -1.811 0.925 12.191 134 HB2 LYS 16 HB2 LYS 16 -0.205 2.236 14.384 135 HB3 LYS 16 HB3 LYS 16 -0.793 0.586 14.514 136 HG2 LYS 16 HG2 LYS 16 0.531 -0.106 12.657 137 HG3 LYS 16 HG3 LYS 16 0.988 1.557 12.290 138 HD2 LYS 16 HD2 LYS 16 1.692 0.047 14.813 139 HD3 LYS 16 HD3 LYS 16 2.786 0.354 13.463 140 HE2 LYS 16 HE2 LYS 16 2.626 2.751 13.845 141 HE3 LYS 16 HE3 LYS 16 1.456 2.487 15.137 142 HZ1 LYS 16 HZ1 LYS 16 3.171 1.272 16.354 143 HZ2 LYS 16 HZ2 LYS 16 3.622 2.878 16.052 144 HZ3 LYS 16 HZ3 LYS 16 4.291 1.618 15.131 145 H LEU 17 H LEU 17 -3.783 0.373 12.714 146 HA LEU 17 HA LEU 17 -5.426 2.001 14.418 147 HB2 LEU 17 HB2 LEU 17 -6.215 0.756 12.369 148 HB3 LEU 17 HB3 LEU 17 -6.054 -0.724 13.295 149 HG LEU 17 HG LEU 17 -7.660 0.368 14.974 150 HD11 LEU 17 HD11 LEU 17 -9.166 2.036 14.017 151 HD12 LEU 17 HD12 LEU 17 -8.164 2.100 12.563 152 HD13 LEU 17 HD13 LEU 17 -7.508 2.635 14.113 153 HD21 LEU 17 HD21 LEU 17 -9.604 -0.327 13.683 154 HD22 LEU 17 HD22 LEU 17 -8.282 -1.492 13.558 155 HD23 LEU 17 HD23 LEU 17 -8.613 -0.385 12.224 156 H ILE 18 H ILE 18 -5.176 1.926 16.511 157 HA ILE 18 HA ILE 18 -4.235 -0.477 17.857 158 HB ILE 18 HB ILE 18 -4.968 2.159 19.162 159 HG12 ILE 18 HG12 ILE 18 -2.204 1.398 18.179 160 HG13 ILE 18 HG13 ILE 18 -3.292 2.433 17.264 161 HG21 ILE 18 HG21 ILE 18 -4.670 0.257 20.665 162 HG22 ILE 18 HG22 ILE 18 -3.365 1.425 20.877 163 HG23 ILE 18 HG23 ILE 18 -3.079 -0.060 19.970 164 HD11 ILE 18 HD11 ILE 18 -2.203 3.016 20.009 165 HD12 ILE 18 HD12 ILE 18 -3.276 4.061 19.078 166 HD13 ILE 18 HD13 ILE 18 -1.645 3.730 18.496 167 H SER 19 H SER 19 -6.983 1.734 17.878 168 HA SER 19 HA SER 19 -8.736 -0.352 18.921 169 HB2 SER 19 HB2 SER 19 -8.567 2.412 20.166 170 HB3 SER 19 HB3 SER 19 -9.663 1.119 20.646 171 HG SER 19 HG SER 19 -7.990 1.038 22.067 172 H GLN 20 H GLN 20 -10.967 0.076 18.483 173 HA GLN 20 HA GLN 20 -11.458 2.413 16.757 174 HB2 GLN 20 HB2 GLN 20 -12.724 -0.326 16.670 175 HB3 GLN 20 HB3 GLN 20 -13.460 1.077 15.907 176 HG2 GLN 20 HG2 GLN 20 -11.277 1.359 14.653 177 HG3 GLN 20 HG3 GLN 20 -10.853 -0.247 15.245 178 HE21 GLN 20 HE21 GLN 20 -12.924 1.591 13.157 179 HE22 GLN 20 HE22 GLN 20 -13.520 0.258 12.230 180 H GLY 21 H GLY 21 -12.623 3.911 17.673 181 HA2 GLY 21 HA2 GLY 21 -14.600 3.152 19.710 182 HA3 GLY 21 HA3 GLY 21 -13.954 4.771 19.469 183 H LYS 22 H LYS 22 -16.622 4.599 19.644 184 HA LYS 22 HA LYS 22 -17.685 4.280 16.941 185 HB2 LYS 22 HB2 LYS 22 -19.083 4.638 19.593 186 HB3 LYS 22 HB3 LYS 22 -19.907 4.462 18.050 187 HG2 LYS 22 HG2 LYS 22 -18.917 2.241 17.769 188 HG3 LYS 22 HG3 LYS 22 -18.086 2.418 19.313 189 HD2 LYS 22 HD2 LYS 22 -21.081 2.491 18.964 190 HD3 LYS 22 HD3 LYS 22 -20.168 1.060 19.442 191 HE2 LYS 22 HE2 LYS 22 -19.352 2.277 21.425 192 HE3 LYS 22 HE3 LYS 22 -20.319 3.672 20.947 193 HZ1 LYS 22 HZ1 LYS 22 -22.310 2.335 21.183 194 HZ2 LYS 22 HZ2 LYS 22 -21.427 2.333 22.631 195 HZ3 LYS 22 HZ3 LYS 22 -21.383 0.980 21.608 196 H ASN 23 H ASN 23 -16.121 6.336 16.924 197 HA ASN 23 HA ASN 23 -17.569 8.427 15.823 198 HB2 ASN 23 HB2 ASN 23 -18.107 8.955 18.274 199 HB3 ASN 23 HB3 ASN 23 -16.392 9.275 18.496 200 HD21 ASN 23 HD21 ASN 23 -15.537 11.174 17.768 201 HD22 ASN 23 HD22 ASN 23 -16.475 12.433 17.040 202 H MET 24 H MET 24 -14.732 7.543 17.690 203 HA MET 24 HA MET 24 -12.982 8.652 15.613 204 HB2 MET 24 HB2 MET 24 -13.188 10.290 17.451 205 HB3 MET 24 HB3 MET 24 -12.667 9.062 18.595 206 HG2 MET 24 HG2 MET 24 -10.540 8.920 17.213 207 HG3 MET 24 HG3 MET 24 -11.076 10.419 16.451 208 HE1 MET 24 HE1 MET 24 -11.515 9.169 20.145 209 HE2 MET 24 HE2 MET 24 -10.111 9.913 20.916 210 HE3 MET 24 HE3 MET 24 -9.887 8.664 19.687 211 H LEU 25 H LEU 25 -11.408 7.281 15.076 212 HA LEU 25 HA LEU 25 -11.041 4.855 16.652 213 HB2 LEU 25 HB2 LEU 25 -9.553 5.471 14.120 214 HB3 LEU 25 HB3 LEU 25 -9.945 3.906 14.803 215 HG LEU 25 HG LEU 25 -11.865 5.786 13.418 216 HD11 LEU 25 HD11 LEU 25 -10.336 4.713 11.906 217 HD12 LEU 25 HD12 LEU 25 -11.932 3.976 11.748 218 HD13 LEU 25 HD13 LEU 25 -10.657 3.145 12.643 219 HD21 LEU 25 HD21 LEU 25 -12.359 3.035 14.558 220 HD22 LEU 25 HD22 LEU 25 -13.503 3.993 13.615 221 HD23 LEU 25 HD23 LEU 25 -12.989 4.549 15.207 222 H ILE 26 H ILE 26 -9.010 4.205 17.351 223 HA ILE 26 HA ILE 26 -7.225 6.427 18.055 224 HB ILE 26 HB ILE 26 -7.422 3.607 19.143 225 HG12 ILE 26 HG12 ILE 26 -9.341 5.030 19.765 226 HG13 ILE 26 HG13 ILE 26 -8.368 4.590 21.162 227 HG21 ILE 26 HG21 ILE 26 -5.888 4.341 20.928 228 HG22 ILE 26 HG22 ILE 26 -5.696 5.892 20.110 229 HG23 ILE 26 HG23 ILE 26 -5.136 4.409 19.335 230 HD11 ILE 26 HD11 ILE 26 -8.329 7.245 19.739 231 HD12 ILE 26 HD12 ILE 26 -7.347 6.814 21.140 232 HD13 ILE 26 HD13 ILE 26 -9.102 6.900 21.286 233 H VAL 27 H VAL 27 -5.575 6.682 16.647 234 HA VAL 27 HA VAL 27 -4.191 4.260 15.724 235 HB VAL 27 HB VAL 27 -3.702 5.380 13.539 236 HG11 VAL 27 HG11 VAL 27 -5.377 3.639 13.654 237 HG12 VAL 27 HG12 VAL 27 -5.867 4.885 12.504 238 HG13 VAL 27 HG13 VAL 27 -6.606 4.820 14.106 239 HG21 VAL 27 HG21 VAL 27 -4.198 7.682 14.172 240 HG22 VAL 27 HG22 VAL 27 -5.903 7.268 14.359 241 HG23 VAL 27 HG23 VAL 27 -5.144 7.183 12.769 242 H GLU 28 H GLU 28 -1.979 4.603 15.052 243 HA GLU 28 HA GLU 28 -0.762 7.057 16.123 244 HB2 GLU 28 HB2 GLU 28 -0.205 4.979 17.405 245 HB3 GLU 28 HB3 GLU 28 0.497 4.302 15.943 246 HG2 GLU 28 HG2 GLU 28 2.170 6.065 15.906 247 HG3 GLU 28 HG3 GLU 28 1.451 6.798 17.338 248 H THR 29 H THR 29 0.637 8.160 14.791 249 HA THR 29 HA THR 29 0.665 7.640 11.998 250 HB THR 29 HB THR 29 2.508 9.387 11.964 251 HG1 THR 29 HG1 THR 29 3.417 9.734 13.803 252 HG21 THR 29 HG21 THR 29 0.186 10.003 11.592 253 HG22 THR 29 HG22 THR 29 1.032 11.253 12.504 254 HG23 THR 29 HG23 THR 29 -0.065 10.147 13.332 255 H VAL 30 H VAL 30 2.057 6.483 10.778 256 HA VAL 30 HA VAL 30 4.358 5.308 12.118 257 HB VAL 30 HB VAL 30 4.603 3.943 9.991 258 HG11 VAL 30 HG11 VAL 30 2.074 3.669 11.594 259 HG12 VAL 30 HG12 VAL 30 3.666 3.057 12.040 260 HG13 VAL 30 HG13 VAL 30 2.831 2.399 10.632 261 HG21 VAL 30 HG21 VAL 30 2.603 3.681 8.607 262 HG22 VAL 30 HG22 VAL 30 3.267 5.310 8.478 263 HG23 VAL 30 HG23 VAL 30 1.834 5.018 9.466 264 H ASP 31 H ASP 31 5.610 7.076 12.309 265 HA ASP 31 HA ASP 31 7.200 7.795 10.007 266 HB2 ASP 31 HB2 ASP 31 6.785 10.163 10.086 267 HB3 ASP 31 HB3 ASP 31 5.218 9.380 10.000 268 H ALA 32 H ALA 32 8.463 10.042 11.278 269 HA ALA 32 HA ALA 32 10.230 8.718 13.078 270 HB1 ALA 32 HB1 ALA 32 11.378 10.856 13.213 271 HB2 ALA 32 HB2 ALA 32 10.007 11.662 12.449 272 HB3 ALA 32 HB3 ALA 32 10.960 10.489 11.539 273 H ALA 33 H ALA 33 7.437 10.808 13.499 274 HA ALA 33 HA ALA 33 8.015 11.472 16.233 275 HB1 ALA 33 HB1 ALA 33 6.752 12.991 14.776 276 HB2 ALA 33 HB2 ALA 33 5.848 12.574 16.231 277 HB3 ALA 33 HB3 ALA 33 5.442 11.811 14.694 278 H LYS 34 H LYS 34 5.627 9.366 14.638 279 HA LYS 34 HA LYS 34 4.228 7.736 15.356 280 HB2 LYS 34 HB2 LYS 34 6.269 7.226 17.529 281 HB3 LYS 34 HB3 LYS 34 5.042 6.105 16.960 282 HG2 LYS 34 HG2 LYS 34 6.147 6.006 14.780 283 HG3 LYS 34 HG3 LYS 34 7.371 7.141 15.355 284 HD2 LYS 34 HD2 LYS 34 7.822 5.463 17.218 285 HD3 LYS 34 HD3 LYS 34 6.855 4.329 16.276 286 HE2 LYS 34 HE2 LYS 34 9.392 5.702 15.396 287 HE3 LYS 34 HE3 LYS 34 9.205 3.999 15.806 288 HZ1 LYS 34 HZ1 LYS 34 8.007 5.421 13.496 289 HZ2 LYS 34 HZ2 LYS 34 7.634 3.824 13.916 290 HZ3 LYS 34 HZ3 LYS 34 9.211 4.231 13.447 291 H LYS 35 H LYS 35 2.897 9.654 15.937 292 HA LYS 35 HA LYS 35 2.577 10.021 18.837 293 HB2 LYS 35 HB2 LYS 35 1.513 12.197 18.216 294 HB3 LYS 35 HB3 LYS 35 3.199 12.058 17.741 295 HG2 LYS 35 HG2 LYS 35 2.476 11.504 15.447 296 HG3 LYS 35 HG3 LYS 35 0.802 11.737 15.945 297 HD2 LYS 35 HD2 LYS 35 2.936 13.860 16.107 298 HD3 LYS 35 HD3 LYS 35 1.803 13.689 14.766 299 HE2 LYS 35 HE2 LYS 35 -0.068 13.982 16.343 300 HE3 LYS 35 HE3 LYS 35 1.092 14.215 17.650 301 HZ1 LYS 35 HZ1 LYS 35 0.750 15.940 15.261 302 HZ2 LYS 35 HZ2 LYS 35 1.969 16.140 16.421 303 HZ3 LYS 35 HZ3 LYS 35 0.343 16.332 16.858 304 H ARG 36 H ARG 36 0.481 10.346 19.717 305 HA ARG 36 HA ARG 36 -1.533 8.605 18.702 306 HB2 ARG 36 HB2 ARG 36 -2.898 9.484 20.632 307 HB3 ARG 36 HB3 ARG 36 -1.364 8.758 21.074 308 HG2 ARG 36 HG2 ARG 36 -0.395 11.022 21.278 309 HG3 ARG 36 HG3 ARG 36 -1.980 11.703 20.924 310 HD2 ARG 36 HD2 ARG 36 -2.895 10.715 22.925 311 HD3 ARG 36 HD3 ARG 36 -1.375 9.883 23.249 312 HE ARG 36 HE ARG 36 -0.540 12.397 23.219 313 HH11 ARG 36 HH11 ARG 36 -3.399 11.083 24.793 314 HH12 ARG 36 HH12 ARG 36 -3.375 12.262 26.068 315 HH21 ARG 36 HH21 ARG 36 -0.527 13.924 24.878 316 HH22 ARG 36 HH22 ARG 36 -1.745 13.870 26.119 317 H VAL 37 H VAL 37 -2.702 9.069 17.018 318 HA VAL 37 HA VAL 37 -3.669 11.826 16.688 319 HB VAL 37 HB VAL 37 -3.797 11.204 14.171 320 HG11 VAL 37 HG11 VAL 37 -1.511 12.008 13.813 321 HG12 VAL 37 HG12 VAL 37 -1.138 11.698 15.509 322 HG13 VAL 37 HG13 VAL 37 -2.333 12.922 15.078 323 HG21 VAL 37 HG21 VAL 37 -3.263 8.838 14.374 324 HG22 VAL 37 HG22 VAL 37 -1.703 9.235 15.093 325 HG23 VAL 37 HG23 VAL 37 -2.036 9.668 13.416 326 HA PRO 38 HA PRO 38 -7.667 9.945 16.528 327 HB2 PRO 38 HB2 PRO 38 -9.112 12.119 15.860 328 HB3 PRO 38 HB3 PRO 38 -8.416 11.882 17.461 329 HG2 PRO 38 HG2 PRO 38 -7.589 13.714 15.305 330 HG3 PRO 38 HG3 PRO 38 -7.348 13.848 17.054 331 HD2 PRO 38 HD2 PRO 38 -5.465 12.997 15.107 332 HD3 PRO 38 HD3 PRO 38 -5.273 12.984 16.869 333 H ALA 39 H ALA 39 -8.137 8.551 14.963 334 HA ALA 39 HA ALA 39 -8.322 9.415 12.183 335 HB1 ALA 39 HB1 ALA 39 -7.267 7.261 12.642 336 HB2 ALA 39 HB2 ALA 39 -8.732 7.060 11.680 337 HB3 ALA 39 HB3 ALA 39 -8.751 6.694 13.407 338 H TYR 40 H TYR 40 -10.220 9.480 11.036 339 HA TYR 40 HA TYR 40 -12.703 8.920 12.506 340 HB2 TYR 40 HB2 TYR 40 -12.226 11.373 10.771 341 HB3 TYR 40 HB3 TYR 40 -13.743 10.940 11.542 342 HD1 TYR 40 HD1 TYR 40 -13.860 10.973 14.096 343 HD2 TYR 40 HD2 TYR 40 -10.601 12.624 11.915 344 HE1 TYR 40 HE1 TYR 40 -13.224 12.304 16.057 345 HE2 TYR 40 HE2 TYR 40 -9.956 13.952 13.876 346 HH TYR 40 HH TYR 40 -10.961 14.846 15.894 347 H ALA 41 H ALA 41 -14.294 7.995 11.280 348 HA ALA 41 HA ALA 41 -13.615 7.137 8.598 349 HB1 ALA 41 HB1 ALA 41 -15.721 5.879 8.684 350 HB2 ALA 41 HB2 ALA 41 -16.105 6.634 10.232 351 HB3 ALA 41 HB3 ALA 41 -14.715 5.556 10.096 352 H HIS 42 H HIS 42 -13.499 9.114 7.614 353 HA HIS 42 HA HIS 42 -15.873 10.490 6.774 354 HB2 HIS 42 HB2 HIS 42 -15.594 11.390 9.067 355 HB3 HIS 42 HB3 HIS 42 -13.935 11.835 8.697 356 HD1 HIS 42 HD1 HIS 42 -13.573 14.135 7.828 357 HD2 HIS 42 HD2 HIS 42 -17.544 12.949 7.515 358 HE1 HIS 42 HE1 HIS 42 -14.827 16.172 7.066 359 HE2 HIS 42 HE2 HIS 42 -17.172 15.357 6.652 360 H ASP 43 H ASP 43 -12.409 10.189 7.054 361 HA ASP 43 HA ASP 43 -11.859 11.907 4.769 362 HB2 ASP 43 HB2 ASP 43 -10.505 11.458 7.069 363 HB3 ASP 43 HB3 ASP 43 -9.736 10.253 6.042 364 H LYS 44 H LYS 44 -9.660 10.432 3.671 365 HA LYS 44 HA LYS 44 -11.084 8.255 2.331 366 HB2 LYS 44 HB2 LYS 44 -8.271 9.214 1.753 367 HB3 LYS 44 HB3 LYS 44 -9.278 8.201 0.736 368 HG2 LYS 44 HG2 LYS 44 -9.762 11.102 1.369 369 HG3 LYS 44 HG3 LYS 44 -9.096 10.467 -0.132 370 HD2 LYS 44 HD2 LYS 44 -11.226 9.217 -0.460 371 HD3 LYS 44 HD3 LYS 44 -11.868 10.032 0.967 372 HE2 LYS 44 HE2 LYS 44 -10.881 11.392 -1.541 373 HE3 LYS 44 HE3 LYS 44 -12.571 11.132 -1.116 374 HZ1 LYS 44 HZ1 LYS 44 -10.622 12.795 0.395 375 HZ2 LYS 44 HZ2 LYS 44 -12.226 12.516 0.853 376 HZ3 LYS 44 HZ3 LYS 44 -11.894 13.367 -0.570 377 H VAL 45 H VAL 45 -11.120 7.058 4.372 378 HA VAL 45 HA VAL 45 -8.538 5.921 5.173 379 HB VAL 45 HB VAL 45 -11.177 5.836 6.666 380 HG11 VAL 45 HG11 VAL 45 -9.835 5.139 8.593 381 HG12 VAL 45 HG12 VAL 45 -8.395 5.110 7.576 382 HG13 VAL 45 HG13 VAL 45 -9.719 3.987 7.264 383 HG21 VAL 45 HG21 VAL 45 -8.779 7.604 7.150 384 HG22 VAL 45 HG22 VAL 45 -10.220 7.515 8.164 385 HG23 VAL 45 HG23 VAL 45 -10.339 8.124 6.513 386 H ILE 46 H ILE 46 -8.134 4.235 3.968 387 HA ILE 46 HA ILE 46 -10.182 2.127 3.668 388 HB ILE 46 HB ILE 46 -7.960 2.805 1.713 389 HG12 ILE 46 HG12 ILE 46 -9.704 4.523 1.575 390 HG13 ILE 46 HG13 ILE 46 -9.687 3.533 0.125 391 HG21 ILE 46 HG21 ILE 46 -10.147 0.750 1.519 392 HG22 ILE 46 HG22 ILE 46 -8.414 0.455 1.705 393 HG23 ILE 46 HG23 ILE 46 -9.034 1.174 0.217 394 HD11 ILE 46 HD11 ILE 46 -11.642 2.315 0.940 395 HD12 ILE 46 HD12 ILE 46 -11.952 4.047 0.816 396 HD13 ILE 46 HD13 ILE 46 -11.653 3.316 2.393 397 H SER 47 H SER 47 -9.533 0.351 4.829 398 HA SER 47 HA SER 47 -7.016 0.087 6.035 399 HB2 SER 47 HB2 SER 47 -8.953 -2.132 5.337 400 HB3 SER 47 HB3 SER 47 -7.711 -2.179 6.584 401 HG SER 47 HG SER 47 -9.794 -0.251 6.585 402 H LEU 48 H LEU 48 -5.098 -0.974 5.421 403 HA LEU 48 HA LEU 48 -4.660 -1.498 2.644 404 HB2 LEU 48 HB2 LEU 48 -2.909 -0.641 4.209 405 HB3 LEU 48 HB3 LEU 48 -2.880 -2.215 4.976 406 HG LEU 48 HG LEU 48 -2.061 -3.231 2.892 407 HD11 LEU 48 HD11 LEU 48 -1.361 -1.821 1.027 408 HD12 LEU 48 HD12 LEU 48 -2.043 -0.408 1.836 409 HD13 LEU 48 HD13 LEU 48 -3.102 -1.711 1.294 410 HD21 LEU 48 HD21 LEU 48 -0.481 -0.827 3.759 411 HD22 LEU 48 HD22 LEU 48 0.153 -2.223 2.886 412 HD23 LEU 48 HD23 LEU 48 -0.462 -2.413 4.529 413 H ALA 49 H ALA 49 -5.838 -3.341 5.233 414 HA ALA 49 HA ALA 49 -5.431 -5.969 4.451 415 HB1 ALA 49 HB1 ALA 49 -7.889 -4.697 5.651 416 HB2 ALA 49 HB2 ALA 49 -6.495 -5.319 6.537 417 HB3 ALA 49 HB3 ALA 49 -7.532 -6.423 5.634 418 H ASP 50 H ASP 50 -7.485 -3.468 3.136 419 HA ASP 50 HA ASP 50 -9.200 -5.259 1.656 420 HB2 ASP 50 HB2 ASP 50 -10.189 -3.339 2.742 421 HB3 ASP 50 HB3 ASP 50 -9.101 -2.250 1.896 422 H ILE 51 H ILE 51 -6.451 -3.144 0.993 423 HA ILE 51 HA ILE 51 -6.918 -2.926 -1.819 424 HB ILE 51 HB ILE 51 -4.190 -2.618 -0.564 425 HG12 ILE 51 HG12 ILE 51 -5.829 -1.253 0.746 426 HG13 ILE 51 HG13 ILE 51 -4.633 -0.282 -0.102 427 HG21 ILE 51 HG21 ILE 51 -5.504 -1.343 -2.961 428 HG22 ILE 51 HG22 ILE 51 -4.272 -2.604 -2.987 429 HG23 ILE 51 HG23 ILE 51 -3.872 -0.994 -2.387 430 HD11 ILE 51 HD11 ILE 51 -6.282 0.253 -1.817 431 HD12 ILE 51 HD12 ILE 51 -6.843 0.723 -0.211 432 HD13 ILE 51 HD13 ILE 51 -7.480 -0.732 -0.978 433 H ALA 52 H ALA 52 -6.583 -4.341 -3.351 434 HA ALA 52 HA ALA 52 -4.501 -6.371 -3.124 435 HB1 ALA 52 HB1 ALA 52 -7.370 -7.061 -3.756 436 HB2 ALA 52 HB2 ALA 52 -6.513 -7.473 -2.270 437 HB3 ALA 52 HB3 ALA 52 -6.003 -8.173 -3.808 438 H MET 53 H MET 53 -4.099 -7.448 -5.197 439 HA MET 53 HA MET 53 -4.721 -5.746 -7.516 440 HB2 MET 53 HB2 MET 53 -2.140 -6.179 -6.257 441 HB3 MET 53 HB3 MET 53 -2.128 -6.763 -7.914 442 HG2 MET 53 HG2 MET 53 -1.344 -4.486 -7.788 443 HG3 MET 53 HG3 MET 53 -2.851 -4.582 -8.698 444 HE1 MET 53 HE1 MET 53 -1.261 -2.070 -7.175 445 HE2 MET 53 HE2 MET 53 -2.655 -1.100 -6.689 446 HE3 MET 53 HE3 MET 53 -2.591 -1.817 -8.303 447 H TYR 54 H TYR 54 -5.465 -6.916 -9.163 448 HA TYR 54 HA TYR 54 -5.364 -9.819 -8.938 449 HB2 TYR 54 HB2 TYR 54 -6.960 -8.018 -10.763 450 HB3 TYR 54 HB3 TYR 54 -7.043 -9.773 -10.776 451 HD1 TYR 54 HD1 TYR 54 -7.773 -6.764 -8.736 452 HD2 TYR 54 HD2 TYR 54 -8.368 -10.938 -9.235 453 HE1 TYR 54 HE1 TYR 54 -9.536 -6.707 -7.028 454 HE2 TYR 54 HE2 TYR 54 -10.124 -10.902 -7.528 455 HH TYR 54 HH TYR 54 -10.801 -9.542 -5.620 456 H THR 55 H THR 55 -4.643 -11.163 -10.564 457 HA THR 55 HA THR 55 -2.973 -9.970 -12.663 458 HB THR 55 HB THR 55 -1.205 -11.708 -12.171 459 HG1 THR 55 HG1 THR 55 -2.610 -12.008 -9.706 460 HG21 THR 55 HG21 THR 55 -0.187 -10.588 -10.255 461 HG22 THR 55 HG22 THR 55 -1.724 -9.806 -9.887 462 HG23 THR 55 HG23 THR 55 -0.870 -9.414 -11.382 463 H ASP 56 H ASP 56 -2.040 -12.242 -13.852 464 HA ASP 56 HA ASP 56 -4.206 -13.746 -14.873 465 HB2 ASP 56 HB2 ASP 56 -1.987 -13.452 -15.992 466 HB3 ASP 56 HB3 ASP 56 -1.271 -14.497 -14.771 467 H ALA 57 H ALA 57 -2.131 -14.111 -12.138 468 HA ALA 57 HA ALA 57 -3.250 -16.676 -11.313 469 HB1 ALA 57 HB1 ALA 57 -1.650 -16.514 -9.462 470 HB2 ALA 57 HB2 ALA 57 -1.208 -14.887 -9.981 471 HB3 ALA 57 HB3 ALA 57 -0.851 -16.271 -11.015 472 H GLU 58 H GLU 58 -3.325 -16.277 -8.546 473 HA GLU 58 HA GLU 58 -5.858 -15.148 -8.118 474 HB2 GLU 58 HB2 GLU 58 -3.763 -15.795 -6.043 475 HB3 GLU 58 HB3 GLU 58 -5.491 -15.647 -5.767 476 HG2 GLU 58 HG2 GLU 58 -4.146 -17.756 -7.446 477 HG3 GLU 58 HG3 GLU 58 -4.758 -17.978 -5.810 478 H GLU 59 H GLU 59 -6.368 -13.542 -6.360 479 HA GLU 59 HA GLU 59 -5.036 -11.070 -6.935 480 HB2 GLU 59 HB2 GLU 59 -6.666 -10.063 -5.344 481 HB3 GLU 59 HB3 GLU 59 -7.388 -10.919 -6.691 482 HG2 GLU 59 HG2 GLU 59 -7.951 -12.783 -5.259 483 HG3 GLU 59 HG3 GLU 59 -7.117 -12.029 -3.900 484 H VAL 60 H VAL 60 -3.243 -10.479 -6.066 485 HA VAL 60 HA VAL 60 -2.520 -11.435 -3.395 486 HB VAL 60 HB VAL 60 -0.197 -10.542 -4.029 487 HG11 VAL 60 HG11 VAL 60 -1.361 -12.796 -5.661 488 HG12 VAL 60 HG12 VAL 60 -0.754 -12.923 -4.008 489 HG13 VAL 60 HG13 VAL 60 0.351 -12.537 -5.328 490 HG21 VAL 60 HG21 VAL 60 0.281 -10.379 -6.429 491 HG22 VAL 60 HG22 VAL 60 -0.854 -9.132 -5.911 492 HG23 VAL 60 HG23 VAL 60 -1.439 -10.549 -6.783 493 HA PRO 61 HA PRO 61 -3.445 -7.482 -1.515 494 HB2 PRO 61 HB2 PRO 61 -1.195 -8.096 0.292 495 HB3 PRO 61 HB3 PRO 61 -2.888 -7.777 0.669 496 HG2 PRO 61 HG2 PRO 61 -1.779 -10.237 0.804 497 HG3 PRO 61 HG3 PRO 61 -3.489 -9.966 0.426 498 HD2 PRO 61 HD2 PRO 61 -1.258 -10.783 -1.332 499 HD3 PRO 61 HD3 PRO 61 -2.993 -11.112 -1.483 500 H LEU 62 H LEU 62 -2.482 -5.416 -1.025 501 HA LEU 62 HA LEU 62 -0.589 -4.584 -2.939 502 HB2 LEU 62 HB2 LEU 62 -2.404 -3.190 -1.739 503 HB3 LEU 62 HB3 LEU 62 -1.187 -2.964 -0.494 504 HG LEU 62 HG LEU 62 0.350 -2.079 -2.300 505 HD11 LEU 62 HD11 LEU 62 -2.215 -2.049 -3.871 506 HD12 LEU 62 HD12 LEU 62 -0.800 -3.050 -4.200 507 HD13 LEU 62 HD13 LEU 62 -0.696 -1.296 -4.353 508 HD21 LEU 62 HD21 LEU 62 -0.723 0.122 -2.440 509 HD22 LEU 62 HD22 LEU 62 -0.719 -0.539 -0.801 510 HD23 LEU 62 HD23 LEU 62 -2.197 -0.575 -1.764 511 H SER 63 H SER 63 -0.227 -5.599 0.370 512 HA SER 63 HA SER 63 2.342 -4.527 0.886 513 HB2 SER 63 HB2 SER 63 2.411 -6.306 2.679 514 HB3 SER 63 HB3 SER 63 1.007 -5.241 2.735 515 HG SER 63 HG SER 63 1.179 -7.950 2.012 516 H GLU 64 H GLU 64 1.249 -7.410 -0.728 517 HA GLU 64 HA GLU 64 3.797 -8.721 -0.783 518 HB2 GLU 64 HB2 GLU 64 1.401 -9.303 -2.533 519 HB3 GLU 64 HB3 GLU 64 2.718 -10.394 -2.133 520 HG2 GLU 64 HG2 GLU 64 0.605 -9.364 -0.259 521 HG3 GLU 64 HG3 GLU 64 0.701 -10.984 -0.946 522 H VAL 65 H VAL 65 1.995 -6.572 -2.934 523 HA VAL 65 HA VAL 65 3.760 -7.153 -5.148 524 HB VAL 65 HB VAL 65 2.423 -5.612 -6.483 525 HG11 VAL 65 HG11 VAL 65 1.735 -7.917 -6.307 526 HG12 VAL 65 HG12 VAL 65 0.325 -6.863 -6.427 527 HG13 VAL 65 HG13 VAL 65 0.785 -7.547 -4.868 528 HG21 VAL 65 HG21 VAL 65 1.808 -3.945 -4.828 529 HG22 VAL 65 HG22 VAL 65 0.822 -5.132 -3.974 530 HG23 VAL 65 HG23 VAL 65 0.367 -4.612 -5.597 531 H LEU 66 H LEU 66 3.423 -4.560 -2.772 532 HA LEU 66 HA LEU 66 5.417 -2.940 -4.015 533 HB2 LEU 66 HB2 LEU 66 5.574 -1.730 -1.864 534 HB3 LEU 66 HB3 LEU 66 3.960 -1.810 -2.527 535 HG LEU 66 HG LEU 66 3.747 -3.843 -0.835 536 HD11 LEU 66 HD11 LEU 66 6.071 -3.730 -0.070 537 HD12 LEU 66 HD12 LEU 66 4.927 -3.423 1.239 538 HD13 LEU 66 HD13 LEU 66 5.799 -2.081 0.494 539 HD21 LEU 66 HD21 LEU 66 3.593 -0.926 -0.096 540 HD22 LEU 66 HD22 LEU 66 2.808 -2.244 0.775 541 HD23 LEU 66 HD23 LEU 66 2.336 -1.879 -0.887 542 H GLU 67 H GLU 67 5.516 -5.682 -1.880 543 HA GLU 67 HA GLU 67 8.274 -5.582 -1.160 544 HB2 GLU 67 HB2 GLU 67 6.172 -7.093 -0.399 545 HB3 GLU 67 HB3 GLU 67 6.876 -8.189 -1.569 546 HG2 GLU 67 HG2 GLU 67 8.375 -7.034 0.759 547 HG3 GLU 67 HG3 GLU 67 7.540 -8.582 0.792 548 H ALA 68 H ALA 68 6.450 -6.948 -3.858 549 HA ALA 68 HA ALA 68 8.545 -8.305 -5.148 550 HB1 ALA 68 HB1 ALA 68 6.181 -8.725 -5.609 551 HB2 ALA 68 HB2 ALA 68 7.083 -8.368 -7.084 552 HB3 ALA 68 HB3 ALA 68 6.052 -7.134 -6.360 553 H VAL 69 H VAL 69 7.225 -5.013 -5.754 554 HA VAL 69 HA VAL 69 9.155 -4.465 -7.787 555 HB VAL 69 HB VAL 69 8.420 -2.113 -7.732 556 HG11 VAL 69 HG11 VAL 69 6.134 -2.504 -8.495 557 HG12 VAL 69 HG12 VAL 69 6.182 -4.123 -7.796 558 HG13 VAL 69 HG13 VAL 69 7.257 -3.706 -9.130 559 HG21 VAL 69 HG21 VAL 69 6.585 -2.997 -5.509 560 HG22 VAL 69 HG22 VAL 69 6.495 -1.455 -6.361 561 HG23 VAL 69 HG23 VAL 69 7.907 -1.837 -5.375 562 H LYS 70 H LYS 70 9.133 -4.033 -4.345 563 HA LYS 70 HA LYS 70 11.341 -2.335 -3.993 564 HB2 LYS 70 HB2 LYS 70 9.745 -2.997 -2.246 565 HB3 LYS 70 HB3 LYS 70 10.368 -4.635 -2.296 566 HG2 LYS 70 HG2 LYS 70 12.540 -3.803 -1.513 567 HG3 LYS 70 HG3 LYS 70 11.847 -2.180 -1.412 568 HD2 LYS 70 HD2 LYS 70 10.274 -2.871 0.236 569 HD3 LYS 70 HD3 LYS 70 10.712 -4.567 0.028 570 HE2 LYS 70 HE2 LYS 70 11.713 -3.703 2.044 571 HE3 LYS 70 HE3 LYS 70 12.971 -4.054 0.861 572 HZ1 LYS 70 HZ1 LYS 70 12.903 -1.656 0.273 573 HZ2 LYS 70 HZ2 LYS 70 13.467 -1.988 1.833 574 HZ3 LYS 70 HZ3 LYS 70 11.891 -1.405 1.608 575 H LYS 71 H LYS 71 11.115 -5.768 -4.657 576 HA LYS 71 HA LYS 71 13.761 -6.563 -4.046 577 HB2 LYS 71 HB2 LYS 71 11.383 -7.745 -4.926 578 HB3 LYS 71 HB3 LYS 71 12.545 -8.064 -6.206 579 HG2 LYS 71 HG2 LYS 71 12.710 -9.917 -4.831 580 HG3 LYS 71 HG3 LYS 71 14.069 -8.910 -4.323 581 HD2 LYS 71 HD2 LYS 71 12.921 -8.174 -2.392 582 HD3 LYS 71 HD3 LYS 71 11.385 -8.826 -2.969 583 HE2 LYS 71 HE2 LYS 71 12.337 -11.099 -2.808 584 HE3 LYS 71 HE3 LYS 71 13.814 -10.404 -2.140 585 HZ1 LYS 71 HZ1 LYS 71 12.278 -11.251 -0.436 586 HZ2 LYS 71 HZ2 LYS 71 11.122 -10.107 -0.922 587 HZ3 LYS 71 HZ3 LYS 71 12.597 -9.600 -0.264 588 H LYS 72 H LYS 72 12.317 -5.077 -6.859 589 HA LYS 72 HA LYS 72 14.217 -5.683 -8.837 590 HB2 LYS 72 HB2 LYS 72 11.907 -4.752 -9.169 591 HB3 LYS 72 HB3 LYS 72 12.489 -3.206 -8.590 592 HG2 LYS 72 HG2 LYS 72 13.861 -4.433 -10.929 593 HG3 LYS 72 HG3 LYS 72 12.255 -3.744 -11.162 594 HD2 LYS 72 HD2 LYS 72 13.112 -1.628 -10.136 595 HD3 LYS 72 HD3 LYS 72 14.721 -2.350 -10.135 596 HE2 LYS 72 HE2 LYS 72 13.003 -1.783 -12.546 597 HE3 LYS 72 HE3 LYS 72 14.462 -0.919 -12.066 598 HZ1 LYS 72 HZ1 LYS 72 15.695 -3.023 -12.369 599 HZ2 LYS 72 HZ2 LYS 72 14.998 -2.450 -13.800 600 HZ3 LYS 72 HZ3 LYS 72 14.285 -3.742 -12.973 601 H GLU 73 H GLU 73 13.994 -2.943 -6.560 602 HA GLU 73 HA GLU 73 16.625 -2.044 -7.481 603 HB2 GLU 73 HB2 GLU 73 16.046 0.029 -6.095 604 HB3 GLU 73 HB3 GLU 73 15.204 -0.222 -7.613 605 HG2 GLU 73 HG2 GLU 73 13.252 -1.029 -6.423 606 HG3 GLU 73 HG3 GLU 73 14.096 -0.849 -4.880 607 H ASN 74 H ASN 74 16.312 -4.348 -5.791 608 HA ASN 74 HA ASN 74 17.582 -5.409 -4.262 609 HB2 ASN 74 HB2 ASN 74 19.162 -2.836 -4.311 610 HB3 ASN 74 HB3 ASN 74 19.641 -4.249 -3.377 611 HD21 ASN 74 HD21 ASN 74 19.350 -2.862 -6.524 612 HD22 ASN 74 HD22 ASN 74 20.224 -4.087 -7.382 613 H GLY 75 H GLY 75 15.229 -3.973 -3.344 614 HA2 GLY 75 HA2 GLY 75 14.179 -3.891 -1.300 615 HA3 GLY 75 HA3 GLY 75 15.721 -4.216 -0.529 616 H ALA 76 H ALA 76 14.848 -1.476 -2.667 617 HA ALA 76 HA ALA 76 15.940 0.259 -0.586 618 HB1 ALA 76 HB1 ALA 76 16.136 1.952 -2.306 619 HB2 ALA 76 HB2 ALA 76 15.289 0.909 -3.449 620 HB3 ALA 76 HB3 ALA 76 16.871 0.434 -2.828 621 H VAL 77 H VAL 77 14.754 2.696 -1.263 622 HA VAL 77 HA VAL 77 12.102 2.322 -0.012 623 HB VAL 77 HB VAL 77 13.787 4.810 0.344 624 HG11 VAL 77 HG11 VAL 77 12.531 5.067 2.426 625 HG12 VAL 77 HG12 VAL 77 11.667 3.566 2.096 626 HG13 VAL 77 HG13 VAL 77 11.451 4.959 1.035 627 HG21 VAL 77 HG21 VAL 77 15.204 2.956 1.055 628 HG22 VAL 77 HG22 VAL 77 13.920 2.374 2.115 629 HG23 VAL 77 HG23 VAL 77 14.686 3.931 2.431 630 H ALA 78 H ALA 78 12.184 2.241 -2.707 631 HA ALA 78 HA ALA 78 11.292 2.997 -4.608 632 HB1 ALA 78 HB1 ALA 78 9.573 4.690 -4.614 633 HB2 ALA 78 HB2 ALA 78 10.033 5.205 -2.989 634 HB3 ALA 78 HB3 ALA 78 9.354 3.596 -3.248 635 H SER 79 H SER 79 13.054 3.447 -5.722 636 HA SER 79 HA SER 79 14.344 6.017 -5.701 637 HB2 SER 79 HB2 SER 79 14.409 3.873 -7.844 638 HB3 SER 79 HB3 SER 79 15.584 5.169 -7.611 639 HG SER 79 HG SER 79 15.036 3.031 -5.808 640 H ILE 80 H ILE 80 11.813 4.431 -7.515 641 HA ILE 80 HA ILE 80 11.320 6.518 -9.383 642 HB ILE 80 HB ILE 80 10.663 4.212 -9.840 643 HG12 ILE 80 HG12 ILE 80 8.172 5.912 -9.585 644 HG13 ILE 80 HG13 ILE 80 9.354 6.067 -10.879 645 HG21 ILE 80 HG21 ILE 80 8.852 3.086 -8.673 646 HG22 ILE 80 HG22 ILE 80 8.676 4.464 -7.585 647 HG23 ILE 80 HG23 ILE 80 10.156 3.501 -7.556 648 HD11 ILE 80 HD11 ILE 80 8.854 3.837 -11.649 649 HD12 ILE 80 HD12 ILE 80 7.365 4.778 -11.536 650 HD13 ILE 80 HD13 ILE 80 7.757 3.585 -10.291 651 H ASN 81 H ASN 81 9.883 8.239 -9.258 652 HA ASN 81 HA ASN 81 8.708 8.692 -6.604 653 HB2 ASN 81 HB2 ASN 81 10.564 10.246 -7.231 654 HB3 ASN 81 HB3 ASN 81 9.580 10.803 -8.583 655 HD21 ASN 81 HD21 ASN 81 9.880 10.700 -5.104 656 HD22 ASN 81 HD22 ASN 81 8.813 12.027 -4.782 657 H TYR 82 H TYR 82 6.655 9.382 -6.436 658 HA TYR 82 HA TYR 82 4.962 8.330 -8.483 659 HB2 TYR 82 HB2 TYR 82 3.171 8.688 -6.775 660 HB3 TYR 82 HB3 TYR 82 4.521 7.723 -6.213 661 HD1 TYR 82 HD1 TYR 82 6.039 8.573 -4.495 662 HD2 TYR 82 HD2 TYR 82 2.747 10.911 -5.834 663 HE1 TYR 82 HE1 TYR 82 6.330 10.075 -2.574 664 HE2 TYR 82 HE2 TYR 82 3.034 12.419 -3.918 665 HH TYR 82 HH TYR 82 3.997 12.386 -1.668 666 H LYS 83 H LYS 83 5.860 11.605 -7.655 667 HA LYS 83 HA LYS 83 3.251 12.603 -8.556 668 HB2 LYS 83 HB2 LYS 83 3.776 14.724 -7.574 669 HB3 LYS 83 HB3 LYS 83 4.171 13.480 -6.402 670 HG2 LYS 83 HG2 LYS 83 6.535 13.710 -6.919 671 HG3 LYS 83 HG3 LYS 83 6.165 14.899 -8.164 672 HD2 LYS 83 HD2 LYS 83 6.891 16.094 -6.242 673 HD3 LYS 83 HD3 LYS 83 5.149 16.323 -6.369 674 HE2 LYS 83 HE2 LYS 83 4.755 14.698 -4.640 675 HE3 LYS 83 HE3 LYS 83 6.468 14.280 -4.589 676 HZ1 LYS 83 HZ1 LYS 83 5.827 15.769 -2.782 677 HZ2 LYS 83 HZ2 LYS 83 5.338 16.938 -3.909 678 HZ3 LYS 83 HZ3 LYS 83 6.968 16.491 -3.807 679 H LYS 84 H LYS 84 6.486 12.298 -9.628 680 HA LYS 84 HA LYS 84 6.069 14.295 -11.716 681 HB2 LYS 84 HB2 LYS 84 8.506 14.106 -12.104 682 HB3 LYS 84 HB3 LYS 84 8.104 14.581 -10.462 683 HG2 LYS 84 HG2 LYS 84 8.408 12.149 -9.825 684 HG3 LYS 84 HG3 LYS 84 9.105 11.916 -11.429 685 HD2 LYS 84 HD2 LYS 84 10.102 13.834 -9.321 686 HD3 LYS 84 HD3 LYS 84 10.839 12.290 -9.746 687 HE2 LYS 84 HE2 LYS 84 11.366 13.087 -11.948 688 HE3 LYS 84 HE3 LYS 84 10.473 14.579 -11.668 689 HZ1 LYS 84 HZ1 LYS 84 12.941 13.730 -10.250 690 HZ2 LYS 84 HZ2 LYS 84 12.065 15.146 -9.927 691 HZ3 LYS 84 HZ3 LYS 84 12.829 14.948 -11.425 692 H ALA 85 H ALA 85 6.328 10.866 -11.265 693 HA ALA 85 HA ALA 85 6.760 10.394 -14.106 694 HB1 ALA 85 HB1 ALA 85 8.038 9.076 -12.496 695 HB2 ALA 85 HB2 ALA 85 6.983 8.050 -13.469 696 HB3 ALA 85 HB3 ALA 85 6.538 8.451 -11.809 697 H SER 86 H SER 86 5.291 9.196 -15.392 698 HA SER 86 HA SER 86 2.572 9.951 -14.821 699 HB2 SER 86 HB2 SER 86 2.130 9.148 -17.134 700 HB3 SER 86 HB3 SER 86 3.430 10.337 -17.054 701 HG SER 86 HG SER 86 4.678 8.907 -17.926 702 H ALA 87 H ALA 87 0.779 8.414 -15.451 703 HA ALA 87 HA ALA 87 0.842 6.153 -13.731 704 HB1 ALA 87 HB1 ALA 87 -1.210 6.855 -15.822 705 HB2 ALA 87 HB2 ALA 87 -1.199 7.427 -14.154 706 HB3 ALA 87 HB3 ALA 87 -1.419 5.710 -14.496 707 H ASP 88 H ASP 88 1.504 6.537 -17.123 708 HA ASP 88 HA ASP 88 1.374 3.787 -17.858 709 HB2 ASP 88 HB2 ASP 88 2.916 6.081 -19.087 710 HB3 ASP 88 HB3 ASP 88 2.718 4.506 -19.836 711 H GLU 89 H GLU 89 3.892 5.962 -16.873 712 HA GLU 89 HA GLU 89 6.086 4.239 -16.949 713 HB2 GLU 89 HB2 GLU 89 6.467 6.548 -16.839 714 HB3 GLU 89 HB3 GLU 89 5.354 6.759 -15.499 715 HG2 GLU 89 HG2 GLU 89 7.413 7.080 -14.572 716 HG3 GLU 89 HG3 GLU 89 6.996 5.428 -14.145 717 H LEU 90 H LEU 90 3.814 4.984 -14.312 718 HA LEU 90 HA LEU 90 5.056 3.425 -12.314 719 HB2 LEU 90 HB2 LEU 90 2.497 4.847 -12.643 720 HB3 LEU 90 HB3 LEU 90 2.442 3.493 -11.534 721 HG LEU 90 HG LEU 90 2.835 5.450 -10.236 722 HD11 LEU 90 HD11 LEU 90 5.432 3.985 -10.592 723 HD12 LEU 90 HD12 LEU 90 4.091 3.509 -9.547 724 HD13 LEU 90 HD13 LEU 90 4.991 4.989 -9.212 725 HD21 LEU 90 HD21 LEU 90 3.642 6.959 -11.967 726 HD22 LEU 90 HD22 LEU 90 5.165 6.075 -12.043 727 HD23 LEU 90 HD23 LEU 90 4.728 6.952 -10.577 728 H HIS 91 H HIS 91 2.443 2.684 -14.603 729 HA HIS 91 HA HIS 91 1.855 0.096 -13.634 730 HB2 HIS 91 HB2 HIS 91 0.536 1.718 -15.183 731 HB3 HIS 91 HB3 HIS 91 1.462 0.973 -16.476 732 HD1 HIS 91 HD1 HIS 91 0.274 -0.881 -17.570 733 HD2 HIS 91 HD2 HIS 91 -0.876 -0.426 -13.602 734 HE1 HIS 91 HE1 HIS 91 -1.581 -2.534 -17.211 735 HE2 HIS 91 HE2 HIS 91 -2.396 -2.087 -14.876 736 H ALA 92 H ALA 92 4.187 1.300 -15.984 737 HA ALA 92 HA ALA 92 4.910 -1.307 -16.964 738 HB1 ALA 92 HB1 ALA 92 6.321 1.324 -17.339 739 HB2 ALA 92 HB2 ALA 92 5.046 0.688 -18.379 740 HB3 ALA 92 HB3 ALA 92 6.591 -0.155 -18.262 741 H TYR 93 H TYR 93 5.955 0.760 -14.374 742 HA TYR 93 HA TYR 93 8.410 -0.559 -13.801 743 HB2 TYR 93 HB2 TYR 93 7.862 1.696 -12.919 744 HB3 TYR 93 HB3 TYR 93 6.602 0.983 -11.917 745 HD1 TYR 93 HD2 TYR 93 10.270 0.877 -12.536 746 HD2 TYR 93 HD1 TYR 93 7.116 0.197 -9.762 747 HE1 TYR 93 HE2 TYR 93 11.923 0.408 -10.775 748 HE2 TYR 93 HE1 TYR 93 8.758 -0.277 -8.001 749 HH TYR 93 HH TYR 93 11.867 0.544 -8.080 750 H PHE 94 H PHE 94 5.065 -1.241 -13.108 751 HA PHE 94 HA PHE 94 5.503 -3.173 -11.051 752 HB2 PHE 94 HB2 PHE 94 3.388 -1.781 -11.657 753 HB3 PHE 94 HB3 PHE 94 3.090 -3.061 -12.823 754 HD1 PHE 94 HD1 PHE 94 3.867 -2.606 -9.217 755 HD2 PHE 94 HD2 PHE 94 1.807 -4.845 -12.181 756 HE1 PHE 94 HE1 PHE 94 2.766 -3.919 -7.459 757 HE2 PHE 94 HE2 PHE 94 0.702 -6.162 -10.430 758 HZ PHE 94 HZ PHE 94 1.183 -5.698 -8.067 759 H ALA 95 H ALA 95 5.528 -3.173 -14.515 760 HA ALA 95 HA ALA 95 5.282 -5.990 -14.956 761 HB1 ALA 95 HB1 ALA 95 5.956 -5.470 -17.245 762 HB2 ALA 95 HB2 ALA 95 6.395 -3.836 -16.747 763 HB3 ALA 95 HB3 ALA 95 4.710 -4.355 -16.681 764 H GLU 96 H GLU 96 7.817 -4.081 -13.756 765 HA GLU 96 HA GLU 96 10.071 -5.300 -14.952 766 HB2 GLU 96 HB2 GLU 96 9.682 -3.744 -12.408 767 HB3 GLU 96 HB3 GLU 96 11.252 -4.394 -12.860 768 HG2 GLU 96 HG2 GLU 96 9.621 -2.455 -14.483 769 HG3 GLU 96 HG3 GLU 96 10.997 -2.040 -13.462 770 H VAL 97 H VAL 97 8.165 -6.127 -12.119 771 HA VAL 97 HA VAL 97 9.937 -8.434 -11.707 772 HB VAL 97 HB VAL 97 8.944 -8.521 -9.385 773 HG11 VAL 97 HG11 VAL 97 11.185 -7.708 -9.836 774 HG12 VAL 97 HG12 VAL 97 10.430 -6.753 -8.560 775 HG13 VAL 97 HG13 VAL 97 10.551 -6.101 -10.195 776 HG21 VAL 97 HG21 VAL 97 8.016 -5.738 -10.125 777 HG22 VAL 97 HG22 VAL 97 7.997 -6.429 -8.502 778 HG23 VAL 97 HG23 VAL 97 6.976 -7.118 -9.765 779 H LEU 98 H LEU 98 6.591 -7.465 -12.181 780 HA LEU 98 HA LEU 98 5.837 -10.306 -12.107 781 HB2 LEU 98 HB2 LEU 98 4.143 -7.866 -11.562 782 HB3 LEU 98 HB3 LEU 98 3.501 -9.489 -11.713 783 HG LEU 98 HG LEU 98 5.483 -8.614 -9.605 784 HD11 LEU 98 HD11 LEU 98 2.520 -9.130 -9.398 785 HD12 LEU 98 HD12 LEU 98 3.310 -7.558 -9.282 786 HD13 LEU 98 HD13 LEU 98 3.606 -8.787 -8.052 787 HD21 LEU 98 HD21 LEU 98 4.976 -10.768 -8.565 788 HD22 LEU 98 HD22 LEU 98 5.659 -10.984 -10.178 789 HD23 LEU 98 HD23 LEU 98 3.926 -11.179 -9.919 790 HA PRO 99 HA PRO 99 5.243 -9.372 -16.517 791 HB2 PRO 99 HB2 PRO 99 5.643 -11.885 -17.394 792 HB3 PRO 99 HB3 PRO 99 6.977 -10.807 -16.975 793 HG2 PRO 99 HG2 PRO 99 5.759 -13.023 -15.379 794 HG3 PRO 99 HG3 PRO 99 7.469 -12.603 -15.593 795 HD2 PRO 99 HD2 PRO 99 6.004 -11.908 -13.394 796 HD3 PRO 99 HD3 PRO 99 7.397 -10.977 -13.982 797 H ASN 100 H ASN 100 3.542 -11.436 -14.330 798 HA ASN 100 HA ASN 100 1.500 -12.090 -16.324 799 HB2 ASN 100 HB2 ASN 100 0.645 -13.732 -14.807 800 HB3 ASN 100 HB3 ASN 100 2.391 -13.906 -14.839 801 HD21 ASN 100 HD21 ASN 100 0.391 -14.744 -12.876 802 HD22 ASN 100 HD22 ASN 100 0.882 -14.047 -11.369 803 H TYR 101 H TYR 101 2.024 -9.436 -14.786 804 HA TYR 101 HA TYR 101 -0.340 -9.024 -13.231 805 HB2 TYR 101 HB2 TYR 101 0.505 -6.927 -12.753 806 HB3 TYR 101 HB3 TYR 101 1.976 -7.802 -13.131 807 HD1 TYR 101 HD1 TYR 101 2.438 -7.664 -15.909 808 HD2 TYR 101 HD2 TYR 101 0.486 -4.784 -13.464 809 HE1 TYR 101 HE1 TYR 101 2.974 -5.911 -17.543 810 HE2 TYR 101 HE2 TYR 101 1.017 -3.036 -15.088 811 HH TYR 101 HH TYR 101 2.730 -2.635 -16.863 812 H ASP 102 H ASP 102 -1.971 -7.307 -13.798 813 HA ASP 102 HA ASP 102 -2.688 -7.718 -16.613 814 HB2 ASP 102 HB2 ASP 102 -4.086 -8.395 -14.373 815 HB3 ASP 102 HB3 ASP 102 -4.801 -6.836 -14.780 816 H ARG 103 H ARG 103 -4.776 -5.783 -16.684 817 HA ARG 103 HA ARG 103 -3.121 -3.358 -16.817 818 HB2 ARG 103 HB2 ARG 103 -3.885 -4.262 -18.966 819 HB3 ARG 103 HB3 ARG 103 -5.553 -4.135 -18.430 820 HG2 ARG 103 HG2 ARG 103 -5.380 -1.732 -18.350 821 HG3 ARG 103 HG3 ARG 103 -3.669 -1.820 -18.783 822 HD2 ARG 103 HD2 ARG 103 -5.871 -2.928 -20.510 823 HD3 ARG 103 HD3 ARG 103 -5.248 -1.286 -20.674 824 HE ARG 103 HE ARG 103 -3.031 -2.382 -21.093 825 HH11 ARG 103 HH11 ARG 103 -6.004 -4.145 -21.767 826 HH12 ARG 103 HH12 ARG 103 -5.302 -5.069 -23.062 827 HH21 ARG 103 HH21 ARG 103 -2.128 -3.578 -22.800 828 HH22 ARG 103 HH22 ARG 103 -3.102 -4.738 -23.654 829 H ASP 104 H ASP 104 -6.637 -3.987 -16.700 830 HA ASP 104 HA ASP 104 -7.011 -1.556 -15.140 831 HB2 ASP 104 HB2 ASP 104 -8.407 -2.046 -17.135 832 HB3 ASP 104 HB3 ASP 104 -9.050 -3.463 -16.315 833 H ARG 105 H ARG 105 -6.789 -4.908 -14.655 834 HA ARG 105 HA ARG 105 -8.168 -5.170 -12.175 835 HB2 ARG 105 HB2 ARG 105 -6.018 -6.725 -13.560 836 HB3 ARG 105 HB3 ARG 105 -6.531 -7.139 -11.935 837 HG2 ARG 105 HG2 ARG 105 -8.760 -7.616 -12.706 838 HG3 ARG 105 HG3 ARG 105 -8.343 -7.075 -14.340 839 HD2 ARG 105 HD2 ARG 105 -6.922 -8.876 -14.706 840 HD3 ARG 105 HD3 ARG 105 -6.743 -9.206 -12.987 841 HE ARG 105 HE ARG 105 -9.351 -9.724 -13.437 842 HH11 ARG 105 HH11 ARG 105 -6.456 -10.744 -15.142 843 HH12 ARG 105 HH12 ARG 105 -7.032 -12.364 -15.403 844 HH21 ARG 105 HH21 ARG 105 -10.110 -11.841 -13.793 845 HH22 ARG 105 HH22 ARG 105 -9.117 -12.980 -14.647 846 H VAL 106 H VAL 106 -5.332 -3.557 -12.998 847 HA VAL 106 HA VAL 106 -4.211 -3.682 -10.281 848 HB VAL 106 HB VAL 106 -2.930 -2.426 -12.736 849 HG11 VAL 106 HG11 VAL 106 -1.925 -1.755 -10.619 850 HG12 VAL 106 HG12 VAL 106 -0.824 -2.763 -11.559 851 HG13 VAL 106 HG13 VAL 106 -1.695 -3.450 -10.188 852 HG21 VAL 106 HG21 VAL 106 -1.633 -4.481 -13.007 853 HG22 VAL 106 HG22 VAL 106 -3.360 -4.764 -13.229 854 HG23 VAL 106 HG23 VAL 106 -2.576 -5.239 -11.723 855 H HIS 107 H HIS 107 -6.616 -2.223 -11.527 856 HA HIS 107 HA HIS 107 -7.910 -0.469 -11.025 857 HB2 HIS 107 HB2 HIS 107 -5.725 0.227 -9.065 858 HB3 HIS 107 HB3 HIS 107 -7.227 1.120 -9.201 859 HD1 HIS 107 HD1 HIS 107 -5.721 -1.836 -7.647 860 HD2 HIS 107 HD2 HIS 107 -9.542 -0.363 -8.345 861 HE1 HIS 107 HE1 HIS 107 -7.228 -3.139 -6.119 862 HE2 HIS 107 HE2 HIS 107 -9.549 -2.255 -6.578 863 H ASN 108 H ASN 108 -7.081 2.241 -10.332 864 HA ASN 108 HA ASN 108 -6.318 3.056 -13.042 865 HB2 ASN 108 HB2 ASN 108 -7.739 5.129 -12.522 866 HB3 ASN 108 HB3 ASN 108 -8.583 3.622 -12.827 867 HD21 ASN 108 HD21 ASN 108 -10.420 4.363 -11.780 868 HD22 ASN 108 HD22 ASN 108 -10.516 4.497 -10.054 869 H GLY 109 H GLY 109 -4.133 2.802 -11.830 870 HA2 GLY 109 HA2 GLY 109 -2.223 4.143 -11.551 871 HA3 GLY 109 HA3 GLY 109 -3.260 5.506 -11.162 872 H ASP 110 H ASP 110 -3.517 2.338 -9.716 873 HA ASP 110 HA ASP 110 -3.342 3.417 -7.073 874 HB2 ASP 110 HB2 ASP 110 -4.017 0.811 -8.260 875 HB3 ASP 110 HB3 ASP 110 -3.313 0.742 -6.648 876 H ILE 111 H ILE 111 -1.053 2.165 -9.235 877 HA ILE 111 HA ILE 111 0.933 1.373 -7.387 878 HB ILE 111 HB ILE 111 1.513 2.515 -10.130 879 HG12 ILE 111 HG12 ILE 111 -0.251 0.810 -10.369 880 HG13 ILE 111 HG13 ILE 111 1.272 0.245 -11.042 881 HG21 ILE 111 HG21 ILE 111 3.467 2.093 -8.722 882 HG22 ILE 111 HG22 ILE 111 3.417 0.961 -10.075 883 HG23 ILE 111 HG23 ILE 111 2.935 0.432 -8.463 884 HD11 ILE 111 HD11 ILE 111 0.126 -0.529 -8.365 885 HD12 ILE 111 HD12 ILE 111 1.654 -1.103 -9.034 886 HD13 ILE 111 HD13 ILE 111 0.132 -1.521 -9.824 887 H LYS 112 H LYS 112 -0.098 4.521 -8.615 888 HA LYS 112 HA LYS 112 2.185 5.992 -7.767 889 HB2 LYS 112 HB2 LYS 112 -0.649 6.885 -8.262 890 HB3 LYS 112 HB3 LYS 112 0.653 7.984 -7.836 891 HG2 LYS 112 HG2 LYS 112 1.841 6.947 -9.897 892 HG3 LYS 112 HG3 LYS 112 0.203 6.464 -10.356 893 HD2 LYS 112 HD2 LYS 112 -0.535 8.787 -10.159 894 HD3 LYS 112 HD3 LYS 112 1.102 9.269 -9.706 895 HE2 LYS 112 HE2 LYS 112 1.870 8.331 -11.898 896 HE3 LYS 112 HE3 LYS 112 0.171 8.147 -12.334 897 HZ1 LYS 112 HZ1 LYS 112 1.649 10.651 -11.791 898 HZ2 LYS 112 HZ2 LYS 112 -0.039 10.590 -11.843 899 HZ3 LYS 112 HZ3 LYS 112 0.863 10.193 -13.220 900 H LYS 113 H LYS 113 -0.951 5.343 -6.198 901 HA LYS 113 HA LYS 113 -0.268 6.780 -3.828 902 HB2 LYS 113 HB2 LYS 113 -2.225 5.698 -2.795 903 HB3 LYS 113 HB3 LYS 113 -2.614 6.425 -4.342 904 HG2 LYS 113 HG2 LYS 113 -2.731 4.303 -5.406 905 HG3 LYS 113 HG3 LYS 113 -2.038 3.491 -4.002 906 HD2 LYS 113 HD2 LYS 113 -4.237 3.018 -3.619 907 HD3 LYS 113 HD3 LYS 113 -4.163 4.578 -2.813 908 HE2 LYS 113 HE2 LYS 113 -5.109 4.129 -5.646 909 HE3 LYS 113 HE3 LYS 113 -6.163 4.309 -4.251 910 HZ1 LYS 113 HZ1 LYS 113 -5.247 6.556 -3.950 911 HZ2 LYS 113 HZ2 LYS 113 -6.023 6.366 -5.443 912 HZ3 LYS 113 HZ3 LYS 113 -4.334 6.366 -5.361 913 H LEU 114 H LEU 114 0.211 3.514 -4.944 914 HA LEU 114 HA LEU 114 1.022 2.362 -2.517 915 HB2 LEU 114 HB2 LEU 114 0.532 0.778 -4.120 916 HB3 LEU 114 HB3 LEU 114 1.305 1.677 -5.406 917 HG LEU 114 HG LEU 114 3.147 0.529 -3.387 918 HD11 LEU 114 HD11 LEU 114 1.494 -1.266 -3.619 919 HD12 LEU 114 HD12 LEU 114 3.042 -1.693 -4.346 920 HD13 LEU 114 HD13 LEU 114 1.690 -1.206 -5.371 921 HD21 LEU 114 HD21 LEU 114 3.948 1.691 -5.362 922 HD22 LEU 114 HD22 LEU 114 3.060 0.572 -6.396 923 HD23 LEU 114 HD23 LEU 114 4.407 -0.012 -5.413 924 H ILE 115 H ILE 115 2.863 4.177 -4.989 925 HA ILE 115 HA ILE 115 5.441 3.723 -3.902 926 HB ILE 115 HB ILE 115 4.501 6.087 -5.546 927 HG12 ILE 115 HG12 ILE 115 4.239 3.987 -6.731 928 HG13 ILE 115 HG13 ILE 115 5.536 4.936 -7.441 929 HG21 ILE 115 HG21 ILE 115 6.849 6.484 -6.106 930 HG22 ILE 115 HG22 ILE 115 7.333 5.192 -5.008 931 HG23 ILE 115 HG23 ILE 115 6.570 6.649 -4.371 932 HD11 ILE 115 HD11 ILE 115 5.870 2.570 -5.607 933 HD12 ILE 115 HD12 ILE 115 7.180 3.513 -6.318 934 HD13 ILE 115 HD13 ILE 115 6.102 2.579 -7.356 935 H SER 116 H SER 116 2.988 6.150 -3.242 936 HA SER 116 HA SER 116 4.488 7.864 -1.594 937 HB2 SER 116 HB2 SER 116 1.535 7.239 -1.419 938 HB3 SER 116 HB3 SER 116 2.337 8.681 -0.795 939 HG SER 116 HG SER 116 2.383 7.933 -3.532 940 H TRP 117 H TRP 117 2.649 4.929 -0.887 941 HA TRP 117 HA TRP 117 3.157 5.098 1.948 942 HB2 TRP 117 HB2 TRP 117 1.949 2.824 0.351 943 HB3 TRP 117 HB3 TRP 117 1.938 2.981 2.104 944 HD1 TRP 117 HD1 TRP 117 1.107 6.150 2.079 945 HE1 TRP 117 HE1 TRP 117 -1.333 6.752 1.541 946 HE3 TRP 117 HE3 TRP 117 -0.315 1.824 -0.256 947 HZ2 TRP 117 HZ2 TRP 117 -3.559 5.569 0.313 948 HZ3 TRP 117 HZ3 TRP 117 -2.626 1.645 -1.070 949 HH2 TRP 117 HH2 TRP 117 -4.213 3.478 -0.791 950 H TYR 118 H TYR 118 4.517 3.480 -0.799 951 HA TYR 118 HA TYR 118 6.166 1.555 0.455 952 HB2 TYR 118 HB2 TYR 118 5.493 1.359 -1.820 953 HB3 TYR 118 HB3 TYR 118 6.088 2.945 -2.217 954 HD1 TYR 118 HD1 TYR 118 8.299 0.471 -0.493 955 HD2 TYR 118 HD2 TYR 118 7.043 2.200 -4.170 956 HE1 TYR 118 HE1 TYR 118 10.231 -0.543 -1.640 957 HE2 TYR 118 HE2 TYR 118 8.957 1.214 -5.329 958 HH TYR 118 HH TYR 118 10.795 -1.211 -4.111 959 H ASN 119 H ASN 119 6.649 4.966 -0.382 960 HA ASN 119 HA ASN 119 9.286 5.286 0.572 961 HB2 ASN 119 HB2 ASN 119 6.925 7.175 0.635 962 HB3 ASN 119 HB3 ASN 119 8.548 7.648 1.095 963 HD21 ASN 119 HD21 ASN 119 9.927 6.242 -0.969 964 HD22 ASN 119 HD22 ASN 119 9.561 7.046 -2.454 965 H ILE 120 H ILE 120 6.164 5.547 2.222 966 HA ILE 120 HA ILE 120 7.126 6.395 4.739 967 HB ILE 120 HB ILE 120 4.495 5.261 3.803 968 HG12 ILE 120 HG12 ILE 120 5.269 8.038 4.701 969 HG13 ILE 120 HG13 ILE 120 5.305 7.502 3.027 970 HG21 ILE 120 HG21 ILE 120 3.464 5.921 5.906 971 HG22 ILE 120 HG22 ILE 120 5.033 6.406 6.551 972 HG23 ILE 120 HG23 ILE 120 4.713 4.707 6.197 973 HD11 ILE 120 HD11 ILE 120 3.313 8.788 3.510 974 HD12 ILE 120 HD12 ILE 120 2.867 7.645 4.778 975 HD13 ILE 120 HD13 ILE 120 2.905 7.123 3.093 976 H LEU 121 H LEU 121 6.145 3.192 3.578 977 HA LEU 121 HA LEU 121 6.209 1.736 5.943 978 HB2 LEU 121 HB2 LEU 121 6.865 0.893 3.122 979 HB3 LEU 121 HB3 LEU 121 6.704 -0.234 4.450 980 HG LEU 121 HG LEU 121 4.425 1.586 3.752 981 HD11 LEU 121 HD11 LEU 121 3.597 -0.119 2.235 982 HD12 LEU 121 HD12 LEU 121 5.083 -1.044 2.452 983 HD13 LEU 121 HD13 LEU 121 5.133 0.539 1.674 984 HD21 LEU 121 HD21 LEU 121 3.106 -0.293 4.598 985 HD22 LEU 121 HD22 LEU 121 4.262 0.270 5.805 986 HD23 LEU 121 HD23 LEU 121 4.587 -1.205 4.893 987 H VAL 122 H VAL 122 8.753 2.003 3.520 988 HA VAL 122 HA VAL 122 10.652 0.567 5.080 989 HB VAL 122 HB VAL 122 11.290 2.235 2.638 990 HG11 VAL 122 HG11 VAL 122 12.485 -0.309 3.717 991 HG12 VAL 122 HG12 VAL 122 13.210 1.298 3.780 992 HG13 VAL 122 HG13 VAL 122 12.967 0.500 2.226 993 HG21 VAL 122 HG21 VAL 122 9.340 0.879 2.097 994 HG22 VAL 122 HG22 VAL 122 10.162 -0.565 2.691 995 HG23 VAL 122 HG23 VAL 122 10.771 0.272 1.261 996 H ASN 123 H ASN 123 9.759 3.873 4.978 997 HA ASN 123 HA ASN 123 12.169 5.137 5.741 998 HB2 ASN 123 HB2 ASN 123 9.485 5.906 5.259 999 HB3 ASN 123 HB3 ASN 123 9.905 6.492 6.865 1000 HD21 ASN 123 HD21 ASN 123 10.577 6.667 3.482 1001 HD22 ASN 123 HD22 ASN 123 11.553 8.099 3.532 1002 H ASN 124 H ASN 124 9.394 4.040 7.720 1003 HA ASN 124 HA ASN 124 11.021 4.593 10.109 1004 HB2 ASN 124 HB2 ASN 124 9.031 4.894 11.350 1005 HB3 ASN 124 HB3 ASN 124 8.752 5.714 9.823 1006 HD21 ASN 124 HD21 ASN 124 7.322 4.769 8.315 1007 HD22 ASN 124 HD22 ASN 124 6.124 3.635 8.827 1008 H GLY 125 H GLY 125 10.288 2.078 8.174 1009 HA2 GLY 125 HA2 GLY 125 10.915 -0.145 8.507 1010 HA3 GLY 125 HA3 GLY 125 10.891 0.123 10.244 1011 H ILE 126 H ILE 126 8.121 1.329 9.873 1012 HA ILE 126 HA ILE 126 6.109 0.656 10.673 1013 HB ILE 126 HB ILE 126 6.370 -1.508 8.574 1014 HG12 ILE 126 HG12 ILE 126 6.665 0.788 7.723 1015 HG13 ILE 126 HG13 ILE 126 5.268 -0.041 7.058 1016 HG21 ILE 126 HG21 ILE 126 3.890 -1.518 8.527 1017 HG22 ILE 126 HG22 ILE 126 3.882 -0.432 9.916 1018 HG23 ILE 126 HG23 ILE 126 4.543 -2.063 10.076 1019 HD11 ILE 126 HD11 ILE 126 4.799 2.288 7.515 1020 HD12 ILE 126 HD12 ILE 126 5.209 2.052 9.215 1021 HD13 ILE 126 HD13 ILE 126 3.807 1.235 8.524 1022 H THR 127 H THR 127 6.640 -2.672 9.943 1023 HA THR 127 HA THR 127 7.788 -3.354 12.499 1024 HB THR 127 HB THR 127 5.148 -4.652 11.734 1025 HG1 THR 127 HG1 THR 127 5.617 -2.338 13.223 1026 HG21 THR 127 HG21 THR 127 6.734 -4.703 14.311 1027 HG22 THR 127 HG22 THR 127 6.653 -6.005 13.124 1028 HG23 THR 127 HG23 THR 127 5.208 -5.538 14.020 1029 H GLU 128 H GLU 128 5.818 -5.091 10.108 1030 HA GLU 128 HA GLU 128 8.037 -6.429 8.870 1031 HB2 GLU 128 HB2 GLU 128 6.326 -7.777 10.914 1032 HB3 GLU 128 HB3 GLU 128 6.956 -8.686 9.556 1033 HG2 GLU 128 HG2 GLU 128 9.210 -8.250 10.217 1034 HG3 GLU 128 HG3 GLU 128 8.683 -7.133 11.471 1035 H PHE 129 H PHE 129 7.482 -7.216 6.945 1036 HA PHE 129 HA PHE 129 4.972 -7.995 5.983 1037 HB2 PHE 129 HB2 PHE 129 4.452 -6.034 4.477 1038 HB3 PHE 129 HB3 PHE 129 4.195 -5.701 6.184 1039 HD1 PHE 129 HD1 PHE 129 5.893 -4.372 7.422 1040 HD2 PHE 129 HD2 PHE 129 5.941 -4.708 3.183 1041 HE1 PHE 129 HE1 PHE 129 7.345 -2.438 7.316 1042 HE2 PHE 129 HE2 PHE 129 7.407 -2.733 3.054 1043 HZ PHE 129 HZ PHE 129 8.119 -1.594 5.121 1044 H VAL 130 H VAL 130 8.172 -6.900 5.588 1045 HA VAL 130 HA VAL 130 8.340 -7.761 2.803 1046 HB VAL 130 HB VAL 130 9.026 -5.486 3.110 1047 HG11 VAL 130 HG11 VAL 130 10.886 -6.435 5.271 1048 HG12 VAL 130 HG12 VAL 130 9.445 -5.437 5.464 1049 HG13 VAL 130 HG13 VAL 130 10.848 -4.801 4.605 1050 HG21 VAL 130 HG21 VAL 130 10.409 -6.649 1.533 1051 HG22 VAL 130 HG22 VAL 130 11.480 -7.198 2.821 1052 HG23 VAL 130 HG23 VAL 130 11.388 -5.482 2.424 1053 H GLU 131 H GLU 131 9.249 -8.632 5.983 1054 HA GLU 131 HA GLU 131 10.427 -10.256 6.971 1055 HB2 GLU 131 HB2 GLU 131 10.743 -11.351 4.191 1056 HB3 GLU 131 HB3 GLU 131 11.446 -12.128 5.604 1057 HG2 GLU 131 HG2 GLU 131 9.287 -12.470 6.562 1058 HG3 GLU 131 HG3 GLU 131 8.517 -11.519 5.300 1059 H ALA 132 H ALA 132 12.210 -10.101 7.960 1060 HA ALA 132 HA ALA 132 14.309 -9.613 8.605 1061 HB1 ALA 132 HB1 ALA 132 15.054 -9.646 5.678 1062 HB2 ALA 132 HB2 ALA 132 15.055 -11.043 6.753 1063 HB3 ALA 132 HB3 ALA 132 16.170 -9.709 7.044 1064 HA PRO 133 HA PRO 133 14.749 -5.143 8.140 1065 HB2 PRO 133 HB2 PRO 133 17.383 -4.724 8.724 1066 HB3 PRO 133 HB3 PRO 133 16.128 -4.983 9.937 1067 HG2 PRO 133 HG2 PRO 133 18.177 -6.862 8.896 1068 HG3 PRO 133 HG3 PRO 133 17.483 -6.737 10.520 1069 HD2 PRO 133 HD2 PRO 133 16.776 -8.637 8.663 1070 HD3 PRO 133 HD3 PRO 133 15.748 -8.114 10.009 1071 H ALA 134 H ALA 134 14.392 -5.691 5.816 1072 HA ALA 134 HA ALA 134 16.670 -4.998 4.105 1073 HB1 ALA 134 HB1 ALA 134 15.158 -5.544 2.251 1074 HB2 ALA 134 HB2 ALA 134 13.841 -5.799 3.395 1075 HB3 ALA 134 HB3 ALA 134 15.242 -6.870 3.413 1076 H LEU 135 H LEU 135 15.138 -3.305 6.063 1077 HA LEU 135 HA LEU 135 14.074 -1.216 4.323 1078 HB2 LEU 135 HB2 LEU 135 13.840 -1.481 7.324 1079 HB3 LEU 135 HB3 LEU 135 12.979 -0.347 6.300 1080 HG LEU 135 HG LEU 135 12.329 -2.855 5.266 1081 HD11 LEU 135 HD11 LEU 135 13.219 -3.938 7.248 1082 HD12 LEU 135 HD12 LEU 135 11.462 -4.083 7.193 1083 HD13 LEU 135 HD13 LEU 135 12.217 -2.915 8.277 1084 HD21 LEU 135 HD21 LEU 135 10.101 -2.347 6.078 1085 HD22 LEU 135 HD22 LEU 135 10.872 -0.900 5.425 1086 HD23 LEU 135 HD23 LEU 135 10.761 -1.131 7.171 1087 H GLU 136 H GLU 136 14.628 1.017 4.869 1088 HA GLU 136 HA GLU 136 16.113 2.711 5.013 1089 HB2 GLU 136 HB2 GLU 136 17.281 1.056 7.253 1090 HB3 GLU 136 HB3 GLU 136 17.705 2.730 6.912 1091 HG2 GLU 136 HG2 GLU 136 15.493 3.468 7.442 1092 HG3 GLU 136 HG3 GLU 136 14.918 1.805 7.591 1093 H HIS 137 H HIS 137 16.686 0.540 3.176 1094 HA HIS 137 HA HIS 137 19.430 -0.114 2.997 1095 HB2 HIS 137 HB2 HIS 137 17.438 -1.169 1.796 1096 HB3 HIS 137 HB3 HIS 137 17.503 0.190 0.688 1097 HD1 HIS 137 HD1 HIS 137 19.121 0.031 -1.234 1098 HD2 HIS 137 HD2 HIS 137 19.717 -2.923 1.630 1099 HE1 HIS 137 HE1 HIS 137 20.712 -1.603 -2.274 1100 HE2 HIS 137 HE2 HIS 137 20.942 -3.459 -0.590 1101 H HIS 138 H HIS 138 17.512 2.437 1.447 1102 HA HIS 138 HA HIS 138 19.939 4.084 1.422 1103 HB2 HIS 138 HB2 HIS 138 19.184 3.566 -0.905 1104 HB3 HIS 138 HB3 HIS 138 17.619 4.279 -0.532 1105 HD1 HIS 138 HD1 HIS 138 17.466 6.846 -0.519 1106 HD2 HIS 138 HD2 HIS 138 21.299 5.425 -1.251 1107 HE1 HIS 138 HE1 HIS 138 18.798 8.846 -1.246 1108 HE2 HIS 138 HE2 HIS 138 21.043 7.922 -1.881 1109 H HIS 139 H HIS 139 19.717 5.390 3.128 1110 HA HIS 139 HA HIS 139 17.247 6.064 4.329 1111 HB2 HIS 139 HB2 HIS 139 20.025 6.496 4.848 1112 HB3 HIS 139 HB3 HIS 139 19.179 8.026 5.026 1113 HD1 HIS 139 HD1 HIS 139 17.600 8.286 7.019 1114 HD2 HIS 139 HD2 HIS 139 19.288 4.499 6.720 1115 HE1 HIS 139 HE1 HIS 139 17.126 7.159 9.216 1116 HE2 HIS 139 HE2 HIS 139 17.940 4.800 8.915 1117 H HIS 140 H HIS 140 15.752 7.209 3.381 1118 HA HIS 140 HA HIS 140 16.337 9.828 2.252 1119 HB2 HIS 140 HB2 HIS 140 16.451 8.111 0.379 1120 HB3 HIS 140 HB3 HIS 140 14.757 7.762 0.689 1121 HD1 HIS 140 HD1 HIS 140 13.126 9.104 -0.624 1122 HD2 HIS 140 HD2 HIS 140 16.862 10.920 -0.458 1123 HE1 HIS 140 HE1 HIS 140 12.987 11.070 -2.182 1124 HE2 HIS 140 HE2 HIS 140 15.297 12.077 -2.170 1125 H HIS 141 H HIS 141 15.160 10.854 3.797 1126 HA HIS 141 HA HIS 141 12.812 9.664 4.892 1127 HB2 HIS 141 HB2 HIS 141 12.672 11.535 6.409 1128 HB3 HIS 141 HB3 HIS 141 14.324 10.962 6.318 1129 HD1 HIS 141 HD1 HIS 141 12.900 13.908 7.014 1130 HD2 HIS 141 HD2 HIS 141 15.485 12.861 3.928 1131 HE1 HIS 141 HE1 HIS 141 14.020 16.053 6.314 1132 HE2 HIS 141 HE2 HIS 141 15.459 15.420 4.355 1133 H HIS 142 H HIS 142 10.714 10.229 4.799 1134 HA HIS 142 HA HIS 142 9.931 11.853 2.469 1135 HB2 HIS 142 HB2 HIS 142 9.422 9.381 2.403 1136 HB3 HIS 142 HB3 HIS 142 8.362 9.612 3.784 1137 HD1 HIS 142 HD1 HIS 142 5.984 10.130 3.257 1138 HD2 HIS 142 HD2 HIS 142 8.493 10.860 0.023 1139 HE1 HIS 142 HE1 HIS 142 4.458 10.638 1.319 1140 HE2 HIS 142 HE2 HIS 142 6.001 11.240 -0.577 Start of MODEL 8 1 H1 MET 1 H1 MET 1 3.876 -7.312 8.902 2 H2 MET 1 H2 MET 1 3.037 -5.993 9.564 3 H3 MET 1 H3 MET 1 3.254 -6.113 7.886 4 HA MET 1 HA MET 1 1.895 -8.011 7.740 5 HB2 MET 1 HB2 MET 1 2.415 -9.123 9.772 6 HB3 MET 1 HB3 MET 1 1.869 -7.776 10.746 7 HG2 MET 1 HG2 MET 1 0.461 -9.864 10.765 8 HG3 MET 1 HG3 MET 1 -0.383 -8.354 10.488 9 HE1 MET 1 HE1 MET 1 1.245 -11.447 8.472 10 HE2 MET 1 HE2 MET 1 1.656 -10.004 7.536 11 HE3 MET 1 HE3 MET 1 0.496 -11.161 6.894 12 H LEU 2 H LEU 2 -0.149 -7.735 7.149 13 HA LEU 2 HA LEU 2 -1.139 -5.045 7.146 14 HB2 LEU 2 HB2 LEU 2 -2.899 -6.104 5.628 15 HB3 LEU 2 HB3 LEU 2 -1.243 -6.063 5.078 16 HG LEU 2 HG LEU 2 -1.065 -8.492 5.813 17 HD11 LEU 2 HD11 LEU 2 -4.065 -8.299 5.803 18 HD12 LEU 2 HD12 LEU 2 -3.054 -8.629 7.211 19 HD13 LEU 2 HD13 LEU 2 -3.113 -9.782 5.878 20 HD21 LEU 2 HD21 LEU 2 -2.947 -7.743 3.596 21 HD22 LEU 2 HD22 LEU 2 -2.110 -9.287 3.759 22 HD23 LEU 2 HD23 LEU 2 -1.188 -7.804 3.506 23 H LYS 3 H LYS 3 -3.845 -5.363 6.964 24 HA LYS 3 HA LYS 3 -5.826 -5.414 8.040 25 HB2 LYS 3 HB2 LYS 3 -4.533 -7.054 10.226 26 HB3 LYS 3 HB3 LYS 3 -6.246 -6.695 10.096 27 HG2 LYS 3 HG2 LYS 3 -6.339 -7.971 7.994 28 HG3 LYS 3 HG3 LYS 3 -4.622 -8.343 8.163 29 HD2 LYS 3 HD2 LYS 3 -5.385 -9.210 10.530 30 HD3 LYS 3 HD3 LYS 3 -6.947 -9.349 9.725 31 HE2 LYS 3 HE2 LYS 3 -4.374 -10.602 8.774 32 HE3 LYS 3 HE3 LYS 3 -5.657 -11.445 9.636 33 HZ1 LYS 3 HZ1 LYS 3 -5.694 -11.756 7.200 34 HZ2 LYS 3 HZ2 LYS 3 -6.025 -10.106 7.013 35 HZ3 LYS 3 HZ3 LYS 3 -7.132 -11.105 7.813 36 H THR 4 H THR 4 -3.079 -4.839 10.172 37 HA THR 4 HA THR 4 -4.657 -3.072 11.870 38 HB THR 4 HB THR 4 -1.714 -3.399 12.242 39 HG1 THR 4 HG1 THR 4 -3.686 -5.411 12.735 40 HG21 THR 4 HG21 THR 4 -2.373 -3.454 14.598 41 HG22 THR 4 HG22 THR 4 -4.074 -3.449 14.132 42 HG23 THR 4 HG23 THR 4 -3.065 -2.043 13.794 43 H ILE 5 H ILE 5 -2.330 -2.887 9.320 44 HA ILE 5 HA ILE 5 -1.957 -0.033 9.588 45 HB ILE 5 HB ILE 5 -1.278 -1.911 7.306 46 HG12 ILE 5 HG12 ILE 5 0.050 -2.280 9.364 47 HG13 ILE 5 HG13 ILE 5 1.033 -1.722 8.017 48 HG21 ILE 5 HG21 ILE 5 -0.519 0.988 7.626 49 HG22 ILE 5 HG22 ILE 5 -1.631 0.321 6.430 50 HG23 ILE 5 HG23 ILE 5 0.081 -0.100 6.372 51 HD11 ILE 5 HD11 ILE 5 1.018 0.544 8.977 52 HD12 ILE 5 HD12 ILE 5 1.725 -0.652 10.066 53 HD13 ILE 5 HD13 ILE 5 0.086 -0.064 10.348 54 H LEU 6 H LEU 6 -3.455 1.357 9.021 55 HA LEU 6 HA LEU 6 -5.561 0.545 7.127 56 HB2 LEU 6 HB2 LEU 6 -5.549 2.341 9.528 57 HB3 LEU 6 HB3 LEU 6 -6.665 2.690 8.230 58 HG LEU 6 HG LEU 6 -7.701 1.454 10.096 59 HD11 LEU 6 HD11 LEU 6 -8.819 -0.251 8.782 60 HD12 LEU 6 HD12 LEU 6 -7.587 -0.091 7.530 61 HD13 LEU 6 HD13 LEU 6 -8.655 1.265 7.897 62 HD21 LEU 6 HD21 LEU 6 -7.240 -0.912 10.432 63 HD22 LEU 6 HD22 LEU 6 -5.835 0.085 10.813 64 HD23 LEU 6 HD23 LEU 6 -5.895 -0.813 9.296 65 H SER 7 H SER 7 -5.914 1.758 5.370 66 HA SER 7 HA SER 7 -3.933 3.750 4.660 67 HB2 SER 7 HB2 SER 7 -4.570 1.997 3.031 68 HB3 SER 7 HB3 SER 7 -6.231 2.582 3.053 69 HG SER 7 HG SER 7 -3.959 4.084 2.267 70 H ILE 8 H ILE 8 -4.281 5.838 4.804 71 HA ILE 8 HA ILE 8 -6.981 6.734 5.568 72 HB ILE 8 HB ILE 8 -4.269 7.711 6.507 73 HG12 ILE 8 HG12 ILE 8 -4.993 5.648 7.594 74 HG13 ILE 8 HG13 ILE 8 -5.029 6.988 8.731 75 HG21 ILE 8 HG21 ILE 8 -6.992 8.827 7.202 76 HG22 ILE 8 HG22 ILE 8 -5.742 9.635 6.255 77 HG23 ILE 8 HG23 ILE 8 -5.472 9.293 7.966 78 HD11 ILE 8 HD11 ILE 8 -7.448 7.137 8.491 79 HD12 ILE 8 HD12 ILE 8 -6.947 5.532 9.022 80 HD13 ILE 8 HD13 ILE 8 -7.420 5.798 7.343 81 H ALA 9 H ALA 9 -7.832 7.698 3.974 82 HA ALA 9 HA ALA 9 -8.298 8.807 2.076 83 HB1 ALA 9 HB1 ALA 9 -7.762 10.710 3.518 84 HB2 ALA 9 HB2 ALA 9 -7.479 11.033 1.806 85 HB3 ALA 9 HB3 ALA 9 -6.119 10.702 2.880 86 H GLY 10 H GLY 10 -4.737 9.096 2.126 87 HA2 GLY 10 HA2 GLY 10 -3.853 7.415 0.263 88 HA3 GLY 10 HA3 GLY 10 -4.598 8.652 -0.754 89 H LYS 11 H LYS 11 -4.088 10.923 0.518 90 HA LYS 11 HA LYS 11 -1.293 11.376 0.127 91 HB2 LYS 11 HB2 LYS 11 -3.167 12.958 -0.533 92 HB3 LYS 11 HB3 LYS 11 -3.347 13.348 1.165 93 HG2 LYS 11 HG2 LYS 11 -0.686 13.683 -0.142 94 HG3 LYS 11 HG3 LYS 11 -1.951 14.878 -0.416 95 HD2 LYS 11 HD2 LYS 11 -2.161 15.118 2.060 96 HD3 LYS 11 HD3 LYS 11 -0.762 14.059 2.234 97 HE2 LYS 11 HE2 LYS 11 -0.031 16.344 2.392 98 HE3 LYS 11 HE3 LYS 11 0.552 15.668 0.869 99 HZ1 LYS 11 HZ1 LYS 11 -1.276 16.747 -0.273 100 HZ2 LYS 11 HZ2 LYS 11 -0.353 17.888 0.567 101 HZ3 LYS 11 HZ3 LYS 11 -1.847 17.390 1.185 102 HA PRO 12 HA PRO 12 -1.250 11.892 5.046 103 HB2 PRO 12 HB2 PRO 12 -3.713 10.408 5.742 104 HB3 PRO 12 HB3 PRO 12 -2.999 11.839 6.497 105 HG2 PRO 12 HG2 PRO 12 -5.162 12.105 5.017 106 HG3 PRO 12 HG3 PRO 12 -3.838 13.279 4.864 107 HD2 PRO 12 HD2 PRO 12 -4.497 10.937 3.111 108 HD3 PRO 12 HD3 PRO 12 -4.115 12.612 2.648 109 H GLY 13 H GLY 13 -1.597 9.406 2.993 110 HA2 GLY 13 HA2 GLY 13 -0.714 7.332 2.838 111 HA3 GLY 13 HA3 GLY 13 0.261 7.772 4.221 112 H LEU 14 H LEU 14 -0.135 6.871 6.155 113 HA LEU 14 HA LEU 14 -2.303 4.923 6.351 114 HB2 LEU 14 HB2 LEU 14 0.618 4.279 6.692 115 HB3 LEU 14 HB3 LEU 14 -0.716 3.172 6.941 116 HG LEU 14 HG LEU 14 -0.181 4.439 4.268 117 HD11 LEU 14 HD11 LEU 14 0.852 1.838 5.332 118 HD12 LEU 14 HD12 LEU 14 1.807 3.278 4.979 119 HD13 LEU 14 HD13 LEU 14 0.995 2.415 3.672 120 HD21 LEU 14 HD21 LEU 14 -1.420 2.512 3.440 121 HD22 LEU 14 HD22 LEU 14 -2.386 3.447 4.583 122 HD23 LEU 14 HD23 LEU 14 -1.635 1.934 5.093 123 H TYR 15 H TYR 15 -2.917 4.445 8.366 124 HA TYR 15 HA TYR 15 -1.331 5.372 10.649 125 HB2 TYR 15 HB2 TYR 15 -4.189 6.038 10.029 126 HB3 TYR 15 HB3 TYR 15 -3.687 5.872 11.704 127 HD1 TYR 15 HD2 TYR 15 -3.084 7.835 8.590 128 HD2 TYR 15 HD1 TYR 15 -2.531 7.588 12.795 129 HE1 TYR 15 HE2 TYR 15 -2.301 10.167 8.623 130 HE2 TYR 15 HE1 TYR 15 -1.762 9.907 12.837 131 HH TYR 15 HH TYR 15 -0.770 11.522 11.361 132 H LYS 16 H LYS 16 -1.370 4.025 12.390 133 HA LYS 16 HA LYS 16 -2.318 1.318 11.939 134 HB2 LYS 16 HB2 LYS 16 -0.793 2.590 14.219 135 HB3 LYS 16 HB3 LYS 16 -1.144 0.875 14.093 136 HG2 LYS 16 HG2 LYS 16 0.358 0.551 12.385 137 HG3 LYS 16 HG3 LYS 16 0.324 2.238 11.883 138 HD2 LYS 16 HD2 LYS 16 2.420 2.004 12.896 139 HD3 LYS 16 HD3 LYS 16 1.430 2.730 14.157 140 HE2 LYS 16 HE2 LYS 16 1.918 -0.238 13.962 141 HE3 LYS 16 HE3 LYS 16 2.976 0.842 14.860 142 HZ1 LYS 16 HZ1 LYS 16 1.099 1.445 16.272 143 HZ2 LYS 16 HZ2 LYS 16 1.364 -0.230 16.299 144 HZ3 LYS 16 HZ3 LYS 16 0.086 0.406 15.394 145 H LEU 17 H LEU 17 -4.326 0.684 12.581 146 HA LEU 17 HA LEU 17 -5.799 2.257 14.537 147 HB2 LEU 17 HB2 LEU 17 -6.540 0.835 12.333 148 HB3 LEU 17 HB3 LEU 17 -6.904 -0.315 13.598 149 HG LEU 17 HG LEU 17 -8.023 2.492 13.472 150 HD11 LEU 17 HD11 LEU 17 -8.825 1.146 11.613 151 HD12 LEU 17 HD12 LEU 17 -10.110 1.407 12.794 152 HD13 LEU 17 HD13 LEU 17 -9.278 -0.147 12.726 153 HD21 LEU 17 HD21 LEU 17 -7.938 1.576 15.739 154 HD22 LEU 17 HD22 LEU 17 -8.785 0.131 15.186 155 HD23 LEU 17 HD23 LEU 17 -9.597 1.696 15.152 156 H ILE 18 H ILE 18 -5.257 1.934 16.621 157 HA ILE 18 HA ILE 18 -4.747 -0.791 17.570 158 HB ILE 18 HB ILE 18 -4.383 1.873 18.991 159 HG12 ILE 18 HG12 ILE 18 -1.984 0.831 19.197 160 HG13 ILE 18 HG13 ILE 18 -2.492 -0.140 17.824 161 HG21 ILE 18 HG21 ILE 18 -5.150 0.254 20.632 162 HG22 ILE 18 HG22 ILE 18 -3.443 0.618 20.886 163 HG23 ILE 18 HG23 ILE 18 -3.916 -0.894 20.108 164 HD11 ILE 18 HD11 ILE 18 -1.229 1.801 17.127 165 HD12 ILE 18 HD12 ILE 18 -2.394 2.864 17.919 166 HD13 ILE 18 HD13 ILE 18 -2.888 1.882 16.539 167 H SER 19 H SER 19 -6.797 2.018 18.274 168 HA SER 19 HA SER 19 -8.850 0.216 19.312 169 HB2 SER 19 HB2 SER 19 -7.793 2.666 20.742 170 HB3 SER 19 HB3 SER 19 -9.293 1.842 21.177 171 HG SER 19 HG SER 19 -7.942 -0.095 21.387 172 H GLN 20 H GLN 20 -10.941 0.972 19.053 173 HA GLN 20 HA GLN 20 -11.280 3.592 17.804 174 HB2 GLN 20 HB2 GLN 20 -12.876 2.652 16.169 175 HB3 GLN 20 HB3 GLN 20 -11.250 2.027 15.945 176 HG2 GLN 20 HG2 GLN 20 -11.956 -0.024 17.182 177 HG3 GLN 20 HG3 GLN 20 -13.603 0.610 17.168 178 HE21 GLN 20 HE21 GLN 20 -11.057 -0.792 15.324 179 HE22 GLN 20 HE22 GLN 20 -11.970 -1.071 13.876 180 H GLY 21 H GLY 21 -13.271 4.547 18.196 181 HA2 GLY 21 HA2 GLY 21 -15.034 3.145 20.083 182 HA3 GLY 21 HA3 GLY 21 -14.485 4.781 20.416 183 H LYS 22 H LYS 22 -16.990 4.800 20.469 184 HA LYS 22 HA LYS 22 -18.083 5.269 17.788 185 HB2 LYS 22 HB2 LYS 22 -19.566 5.394 20.423 186 HB3 LYS 22 HB3 LYS 22 -20.260 5.260 18.818 187 HG2 LYS 22 HG2 LYS 22 -18.694 3.133 20.278 188 HG3 LYS 22 HG3 LYS 22 -20.432 3.153 19.996 189 HD2 LYS 22 HD2 LYS 22 -18.361 3.064 17.802 190 HD3 LYS 22 HD3 LYS 22 -19.146 1.635 18.477 191 HE2 LYS 22 HE2 LYS 22 -21.325 2.517 17.771 192 HE3 LYS 22 HE3 LYS 22 -20.527 3.934 17.088 193 HZ1 LYS 22 HZ1 LYS 22 -19.304 2.431 15.605 194 HZ2 LYS 22 HZ2 LYS 22 -20.975 2.354 15.368 195 HZ3 LYS 22 HZ3 LYS 22 -20.185 1.119 16.213 196 H ASN 23 H ASN 23 -16.244 6.998 18.227 197 HA ASN 23 HA ASN 23 -17.431 9.559 18.325 198 HB2 ASN 23 HB2 ASN 23 -15.995 10.480 20.176 199 HB3 ASN 23 HB3 ASN 23 -17.315 9.468 20.702 200 HD21 ASN 23 HD21 ASN 23 -14.874 10.290 22.049 201 HD22 ASN 23 HD22 ASN 23 -14.060 8.836 22.524 202 H MET 24 H MET 24 -14.302 7.980 18.893 203 HA MET 24 HA MET 24 -13.207 9.023 16.459 204 HB2 MET 24 HB2 MET 24 -11.179 9.964 17.811 205 HB3 MET 24 HB3 MET 24 -12.599 10.969 17.563 206 HG2 MET 24 HG2 MET 24 -13.285 10.754 19.756 207 HG3 MET 24 HG3 MET 24 -12.329 9.305 20.031 208 HE1 MET 24 HE1 MET 24 -9.975 9.223 20.734 209 HE2 MET 24 HE2 MET 24 -8.803 10.533 20.568 210 HE3 MET 24 HE3 MET 24 -9.537 9.816 19.132 211 H LEU 25 H LEU 25 -10.972 8.291 16.167 212 HA LEU 25 HA LEU 25 -10.609 5.613 17.306 213 HB2 LEU 25 HB2 LEU 25 -10.065 6.832 14.644 214 HB3 LEU 25 HB3 LEU 25 -8.980 5.575 15.193 215 HG LEU 25 HG LEU 25 -10.922 4.035 15.396 216 HD11 LEU 25 HD11 LEU 25 -12.698 5.659 15.703 217 HD12 LEU 25 HD12 LEU 25 -13.030 4.607 14.327 218 HD13 LEU 25 HD13 LEU 25 -12.454 6.252 14.060 219 HD21 LEU 25 HD21 LEU 25 -9.533 4.015 13.411 220 HD22 LEU 25 HD22 LEU 25 -10.524 5.280 12.684 221 HD23 LEU 25 HD23 LEU 25 -11.216 3.688 13.000 222 H ILE 26 H ILE 26 -8.635 4.938 17.940 223 HA ILE 26 HA ILE 26 -6.584 6.995 18.424 224 HB ILE 26 HB ILE 26 -6.891 4.227 19.637 225 HG12 ILE 26 HG12 ILE 26 -8.567 5.808 20.494 226 HG13 ILE 26 HG13 ILE 26 -7.413 5.364 21.744 227 HG21 ILE 26 HG21 ILE 26 -5.051 4.858 21.152 228 HG22 ILE 26 HG22 ILE 26 -4.851 6.365 20.258 229 HG23 ILE 26 HG23 ILE 26 -4.541 4.822 19.462 230 HD11 ILE 26 HD11 ILE 26 -7.963 7.726 21.849 231 HD12 ILE 26 HD12 ILE 26 -7.428 7.942 20.183 232 HD13 ILE 26 HD13 ILE 26 -6.264 7.502 21.433 233 H VAL 27 H VAL 27 -5.258 7.060 16.721 234 HA VAL 27 HA VAL 27 -4.257 4.515 15.651 235 HB VAL 27 HB VAL 27 -4.089 5.591 13.390 236 HG11 VAL 27 HG11 VAL 27 -5.889 4.024 13.861 237 HG12 VAL 27 HG12 VAL 27 -6.453 5.312 12.796 238 HG13 VAL 27 HG13 VAL 27 -6.880 5.332 14.507 239 HG21 VAL 27 HG21 VAL 27 -5.858 7.685 14.639 240 HG22 VAL 27 HG22 VAL 27 -5.505 7.533 12.917 241 HG23 VAL 27 HG23 VAL 27 -4.211 7.917 14.051 242 H GLU 28 H GLU 28 -2.106 4.617 14.717 243 HA GLU 28 HA GLU 28 -0.530 6.873 15.775 244 HB2 GLU 28 HB2 GLU 28 0.234 3.976 15.413 245 HB3 GLU 28 HB3 GLU 28 1.401 5.251 15.739 246 HG2 GLU 28 HG2 GLU 28 0.204 5.755 17.839 247 HG3 GLU 28 HG3 GLU 28 -0.863 4.387 17.518 248 H THR 29 H THR 29 0.779 7.944 14.490 249 HA THR 29 HA THR 29 0.522 7.676 11.666 250 HB THR 29 HB THR 29 2.664 9.347 12.956 251 HG1 THR 29 HG1 THR 29 0.175 9.419 13.754 252 HG21 THR 29 HG21 THR 29 0.777 9.818 10.645 253 HG22 THR 29 HG22 THR 29 2.459 9.302 10.509 254 HG23 THR 29 HG23 THR 29 2.075 10.893 11.163 255 H VAL 30 H VAL 30 1.769 6.587 10.271 256 HA VAL 30 HA VAL 30 4.153 5.245 11.273 257 HB VAL 30 HB VAL 30 2.990 5.006 8.491 258 HG11 VAL 30 HG11 VAL 30 5.245 4.167 8.731 259 HG12 VAL 30 HG12 VAL 30 4.118 2.828 8.506 260 HG13 VAL 30 HG13 VAL 30 4.757 3.184 10.112 261 HG21 VAL 30 HG21 VAL 30 1.809 2.992 9.248 262 HG22 VAL 30 HG22 VAL 30 1.220 4.439 10.066 263 HG23 VAL 30 HG23 VAL 30 2.303 3.330 10.908 264 H ASP 31 H ASP 31 5.566 6.915 11.507 265 HA ASP 31 HA ASP 31 6.881 7.941 9.181 266 HB2 ASP 31 HB2 ASP 31 6.450 10.292 9.482 267 HB3 ASP 31 HB3 ASP 31 4.897 9.483 9.389 268 H ALA 32 H ALA 32 8.273 10.060 10.349 269 HA ALA 32 HA ALA 32 10.031 8.644 12.163 270 HB1 ALA 32 HB1 ALA 32 11.529 10.545 11.824 271 HB2 ALA 32 HB2 ALA 32 10.252 11.406 10.963 272 HB3 ALA 32 HB3 ALA 32 10.932 9.929 10.283 273 H ALA 33 H ALA 33 7.596 9.094 13.390 274 HA ALA 33 HA ALA 33 8.318 10.736 15.655 275 HB1 ALA 33 HB1 ALA 33 7.156 12.373 14.249 276 HB2 ALA 33 HB2 ALA 33 6.217 12.001 15.695 277 HB3 ALA 33 HB3 ALA 33 5.759 11.302 14.140 278 H LYS 34 H LYS 34 5.749 8.862 14.076 279 HA LYS 34 HA LYS 34 4.260 7.307 14.771 280 HB2 LYS 34 HB2 LYS 34 6.625 6.628 16.474 281 HB3 LYS 34 HB3 LYS 34 5.103 5.791 16.743 282 HG2 LYS 34 HG2 LYS 34 5.106 5.013 14.443 283 HG3 LYS 34 HG3 LYS 34 6.604 5.896 14.136 284 HD2 LYS 34 HD2 LYS 34 7.852 4.487 15.538 285 HD3 LYS 34 HD3 LYS 34 6.408 3.834 16.314 286 HE2 LYS 34 HE2 LYS 34 5.805 2.650 14.317 287 HE3 LYS 34 HE3 LYS 34 7.107 3.419 13.414 288 HZ1 LYS 34 HZ1 LYS 34 8.710 2.277 14.766 289 HZ2 LYS 34 HZ2 LYS 34 7.646 1.152 14.079 290 HZ3 LYS 34 HZ3 LYS 34 7.490 1.579 15.712 291 H LYS 35 H LYS 35 3.125 9.324 15.424 292 HA LYS 35 HA LYS 35 2.730 9.493 18.324 293 HB2 LYS 35 HB2 LYS 35 1.640 11.704 17.780 294 HB3 LYS 35 HB3 LYS 35 3.355 11.601 17.453 295 HG2 LYS 35 HG2 LYS 35 2.908 11.299 15.079 296 HG3 LYS 35 HG3 LYS 35 1.176 11.379 15.399 297 HD2 LYS 35 HD2 LYS 35 3.125 13.585 16.042 298 HD3 LYS 35 HD3 LYS 35 2.157 13.514 14.568 299 HE2 LYS 35 HE2 LYS 35 0.113 13.564 15.890 300 HE3 LYS 35 HE3 LYS 35 1.058 13.572 17.378 301 HZ1 LYS 35 HZ1 LYS 35 1.957 15.702 16.792 302 HZ2 LYS 35 HZ2 LYS 35 0.267 15.785 16.728 303 HZ3 LYS 35 HZ3 LYS 35 1.167 15.683 15.297 304 H ARG 36 H ARG 36 0.728 9.435 19.272 305 HA ARG 36 HA ARG 36 -1.372 8.102 17.803 306 HB2 ARG 36 HB2 ARG 36 -1.096 8.945 20.682 307 HB3 ARG 36 HB3 ARG 36 -2.567 8.227 20.041 308 HG2 ARG 36 HG2 ARG 36 -1.358 6.212 19.452 309 HG3 ARG 36 HG3 ARG 36 0.154 6.937 20.000 310 HD2 ARG 36 HD2 ARG 36 -2.250 6.438 21.746 311 HD3 ARG 36 HD3 ARG 36 -0.849 5.374 21.640 312 HE ARG 36 HE ARG 36 -0.051 8.025 22.283 313 HH11 ARG 36 HH11 ARG 36 -1.516 5.180 23.711 314 HH12 ARG 36 HH12 ARG 36 -0.987 5.561 25.321 315 HH21 ARG 36 HH21 ARG 36 0.642 8.525 24.393 316 HH22 ARG 36 HH22 ARG 36 0.227 7.461 25.706 317 H VAL 37 H VAL 37 -2.748 9.123 16.655 318 HA VAL 37 HA VAL 37 -3.388 11.942 17.237 319 HB VAL 37 HB VAL 37 -3.475 10.596 14.514 320 HG11 VAL 37 HG11 VAL 37 -3.515 12.843 13.623 321 HG12 VAL 37 HG12 VAL 37 -3.414 13.509 15.253 322 HG13 VAL 37 HG13 VAL 37 -4.852 12.612 14.754 323 HG21 VAL 37 HG21 VAL 37 -1.386 11.697 13.965 324 HG22 VAL 37 HG22 VAL 37 -1.166 10.604 15.333 325 HG23 VAL 37 HG23 VAL 37 -1.276 12.344 15.602 326 HA PRO 38 HA PRO 38 -7.667 10.420 17.525 327 HB2 PRO 38 HB2 PRO 38 -8.857 12.885 17.317 328 HB3 PRO 38 HB3 PRO 38 -8.267 12.190 18.829 329 HG2 PRO 38 HG2 PRO 38 -6.987 14.214 17.050 330 HG3 PRO 38 HG3 PRO 38 -7.001 14.123 18.819 331 HD2 PRO 38 HD2 PRO 38 -4.859 13.386 17.342 332 HD3 PRO 38 HD3 PRO 38 -5.269 12.602 18.881 333 H ALA 39 H ALA 39 -8.412 9.447 15.761 334 HA ALA 39 HA ALA 39 -8.671 11.028 13.285 335 HB1 ALA 39 HB1 ALA 39 -7.015 9.246 13.040 336 HB2 ALA 39 HB2 ALA 39 -8.417 8.974 12.007 337 HB3 ALA 39 HB3 ALA 39 -8.230 8.052 13.498 338 H TYR 40 H TYR 40 -10.366 10.141 11.825 339 HA TYR 40 HA TYR 40 -12.686 9.113 13.307 340 HB2 TYR 40 HB2 TYR 40 -12.753 11.524 11.446 341 HB3 TYR 40 HB3 TYR 40 -14.129 10.826 12.289 342 HD1 TYR 40 HD1 TYR 40 -14.385 11.124 14.716 343 HD2 TYR 40 HD2 TYR 40 -11.195 12.980 12.600 344 HE1 TYR 40 HE1 TYR 40 -13.949 12.576 16.646 345 HE2 TYR 40 HE2 TYR 40 -10.751 14.427 14.535 346 HH TYR 40 HH TYR 40 -11.946 15.309 16.459 347 H ALA 41 H ALA 41 -14.454 8.458 11.682 348 HA ALA 41 HA ALA 41 -13.351 7.087 9.404 349 HB1 ALA 41 HB1 ALA 41 -15.250 6.170 10.629 350 HB2 ALA 41 HB2 ALA 41 -15.649 6.419 8.929 351 HB3 ALA 41 HB3 ALA 41 -16.233 7.552 10.148 352 H HIS 42 H HIS 42 -14.385 10.195 10.028 353 HA HIS 42 HA HIS 42 -15.101 11.175 7.466 354 HB2 HIS 42 HB2 HIS 42 -15.520 12.258 9.701 355 HB3 HIS 42 HB3 HIS 42 -13.805 12.618 9.795 356 HD1 HIS 42 HD1 HIS 42 -13.174 14.868 9.020 357 HD2 HIS 42 HD2 HIS 42 -16.758 13.595 7.337 358 HE1 HIS 42 HE1 HIS 42 -14.030 16.824 7.690 359 HE2 HIS 42 HE2 HIS 42 -16.289 16.095 6.851 360 H ASP 43 H ASP 43 -12.082 10.174 8.807 361 HA ASP 43 HA ASP 43 -10.468 11.851 7.070 362 HB2 ASP 43 HB2 ASP 43 -9.789 9.787 9.157 363 HB3 ASP 43 HB3 ASP 43 -8.563 10.487 8.103 364 H LYS 44 H LYS 44 -12.290 9.426 6.296 365 HA LYS 44 HA LYS 44 -12.455 7.875 4.687 366 HB2 LYS 44 HB2 LYS 44 -9.920 9.095 3.569 367 HB3 LYS 44 HB3 LYS 44 -10.955 7.954 2.727 368 HG2 LYS 44 HG2 LYS 44 -12.783 9.583 2.777 369 HG3 LYS 44 HG3 LYS 44 -11.727 10.729 3.609 370 HD2 LYS 44 HD2 LYS 44 -10.173 10.642 1.690 371 HD3 LYS 44 HD3 LYS 44 -11.291 9.561 0.861 372 HE2 LYS 44 HE2 LYS 44 -11.643 11.759 0.006 373 HE3 LYS 44 HE3 LYS 44 -13.023 11.350 1.022 374 HZ1 LYS 44 HZ1 LYS 44 -10.716 13.022 1.867 375 HZ2 LYS 44 HZ2 LYS 44 -12.084 12.667 2.799 376 HZ3 LYS 44 HZ3 LYS 44 -12.235 13.614 1.407 377 H VAL 45 H VAL 45 -12.169 6.254 6.245 378 HA VAL 45 HA VAL 45 -9.486 5.142 6.520 379 HB VAL 45 HB VAL 45 -11.990 4.369 8.034 380 HG11 VAL 45 HG11 VAL 45 -10.434 3.331 9.612 381 HG12 VAL 45 HG12 VAL 45 -9.084 3.760 8.559 382 HG13 VAL 45 HG13 VAL 45 -10.307 2.616 8.005 383 HG21 VAL 45 HG21 VAL 45 -11.048 5.667 9.894 384 HG22 VAL 45 HG22 VAL 45 -11.412 6.682 8.498 385 HG23 VAL 45 HG23 VAL 45 -9.745 6.217 8.838 386 H ILE 46 H ILE 46 -8.989 3.904 4.916 387 HA ILE 46 HA ILE 46 -10.785 1.712 4.082 388 HB ILE 46 HB ILE 46 -8.473 3.068 2.645 389 HG12 ILE 46 HG12 ILE 46 -10.533 4.335 2.506 390 HG13 ILE 46 HG13 ILE 46 -10.164 3.633 0.935 391 HG21 ILE 46 HG21 ILE 46 -8.870 1.603 0.727 392 HG22 ILE 46 HG22 ILE 46 -10.036 0.681 1.675 393 HG23 ILE 46 HG23 ILE 46 -8.337 0.701 2.147 394 HD11 ILE 46 HD11 ILE 46 -11.821 1.865 1.369 395 HD12 ILE 46 HD12 ILE 46 -12.531 3.480 1.394 396 HD13 ILE 46 HD13 ILE 46 -12.206 2.635 2.910 397 H SER 47 H SER 47 -9.946 -0.429 4.350 398 HA SER 47 HA SER 47 -7.681 -0.725 6.073 399 HB2 SER 47 HB2 SER 47 -9.152 -2.841 4.480 400 HB3 SER 47 HB3 SER 47 -8.061 -3.132 5.837 401 HG SER 47 HG SER 47 -10.388 -3.100 6.321 402 H LEU 48 H LEU 48 -5.543 -1.003 5.529 403 HA LEU 48 HA LEU 48 -4.718 -0.927 2.784 404 HB2 LEU 48 HB2 LEU 48 -3.476 -0.053 4.873 405 HB3 LEU 48 HB3 LEU 48 -2.965 -1.704 5.111 406 HG LEU 48 HG LEU 48 -1.380 0.002 3.965 407 HD11 LEU 48 HD11 LEU 48 -0.335 -1.743 2.611 408 HD12 LEU 48 HD12 LEU 48 -1.784 -2.736 2.787 409 HD13 LEU 48 HD13 LEU 48 -0.814 -2.332 4.204 410 HD21 LEU 48 HD21 LEU 48 -1.543 0.049 1.525 411 HD22 LEU 48 HD22 LEU 48 -2.925 0.823 2.299 412 HD23 LEU 48 HD23 LEU 48 -3.089 -0.797 1.620 413 H ALA 49 H ALA 49 -5.492 -3.397 5.052 414 HA ALA 49 HA ALA 49 -4.384 -5.672 3.814 415 HB1 ALA 49 HB1 ALA 49 -6.888 -5.403 5.457 416 HB2 ALA 49 HB2 ALA 49 -5.256 -5.648 6.079 417 HB3 ALA 49 HB3 ALA 49 -6.029 -6.905 5.112 418 H ASP 50 H ASP 50 -6.972 -3.607 2.931 419 HA ASP 50 HA ASP 50 -8.576 -5.511 1.483 420 HB2 ASP 50 HB2 ASP 50 -9.544 -3.613 2.744 421 HB3 ASP 50 HB3 ASP 50 -8.729 -2.489 1.668 422 H ILE 51 H ILE 51 -6.016 -3.226 0.768 423 HA ILE 51 HA ILE 51 -6.493 -3.172 -2.065 424 HB ILE 51 HB ILE 51 -4.088 -2.225 -0.466 425 HG12 ILE 51 HG12 ILE 51 -4.949 -0.011 -1.642 426 HG13 ILE 51 HG13 ILE 51 -6.475 -0.885 -1.666 427 HG21 ILE 51 HG21 ILE 51 -3.268 -1.161 -2.513 428 HG22 ILE 51 HG22 ILE 51 -4.558 -1.937 -3.434 429 HG23 ILE 51 HG23 ILE 51 -3.307 -2.919 -2.666 430 HD11 ILE 51 HD11 ILE 51 -6.321 0.587 0.247 431 HD12 ILE 51 HD12 ILE 51 -4.852 -0.232 0.782 432 HD13 ILE 51 HD13 ILE 51 -6.388 -1.099 0.756 433 H ALA 52 H ALA 52 -5.879 -4.512 -3.524 434 HA ALA 52 HA ALA 52 -3.649 -6.326 -3.220 435 HB1 ALA 52 HB1 ALA 52 -4.944 -8.352 -3.681 436 HB2 ALA 52 HB2 ALA 52 -6.440 -7.420 -3.606 437 HB3 ALA 52 HB3 ALA 52 -5.446 -7.611 -2.161 438 H MET 53 H MET 53 -3.426 -7.648 -5.307 439 HA MET 53 HA MET 53 -4.300 -6.017 -7.587 440 HB2 MET 53 HB2 MET 53 -1.522 -6.808 -6.826 441 HB3 MET 53 HB3 MET 53 -1.938 -6.827 -8.531 442 HG2 MET 53 HG2 MET 53 -0.958 -4.735 -8.101 443 HG3 MET 53 HG3 MET 53 -2.686 -4.449 -8.277 444 HE1 MET 53 HE1 MET 53 -0.625 -2.373 -7.077 445 HE2 MET 53 HE2 MET 53 -1.494 -1.760 -5.670 446 HE3 MET 53 HE3 MET 53 -2.347 -2.013 -7.195 447 H TYR 54 H TYR 54 -4.746 -7.163 -9.453 448 HA TYR 54 HA TYR 54 -4.901 -10.073 -9.063 449 HB2 TYR 54 HB2 TYR 54 -6.706 -8.238 -10.640 450 HB3 TYR 54 HB3 TYR 54 -6.805 -9.991 -10.693 451 HD1 TYR 54 HD1 TYR 54 -7.189 -7.050 -8.454 452 HD2 TYR 54 HD2 TYR 54 -7.999 -11.178 -9.071 453 HE1 TYR 54 HE1 TYR 54 -8.723 -7.028 -6.536 454 HE2 TYR 54 HE2 TYR 54 -9.534 -11.168 -7.154 455 HH TYR 54 HH TYR 54 -9.741 -9.753 -4.998 456 H THR 55 H THR 55 -4.776 -11.378 -10.947 457 HA THR 55 HA THR 55 -3.396 -10.348 -13.267 458 HB THR 55 HB THR 55 -1.560 -10.572 -11.655 459 HG1 THR 55 HG1 THR 55 -1.055 -11.179 -13.796 460 HG21 THR 55 HG21 THR 55 -2.511 -12.177 -10.106 461 HG22 THR 55 HG22 THR 55 -0.925 -12.720 -10.656 462 HG23 THR 55 HG23 THR 55 -2.383 -13.452 -11.322 463 H ASP 56 H ASP 56 -2.568 -12.864 -14.290 464 HA ASP 56 HA ASP 56 -4.953 -14.174 -15.061 465 HB2 ASP 56 HB2 ASP 56 -2.878 -14.165 -16.394 466 HB3 ASP 56 HB3 ASP 56 -2.085 -15.150 -15.173 467 H ALA 57 H ALA 57 -2.647 -14.735 -12.522 468 HA ALA 57 HA ALA 57 -3.927 -17.166 -11.567 469 HB1 ALA 57 HB1 ALA 57 -2.129 -17.163 -9.894 470 HB2 ALA 57 HB2 ALA 57 -1.596 -15.581 -10.465 471 HB3 ALA 57 HB3 ALA 57 -1.481 -16.986 -11.525 472 H GLU 58 H GLU 58 -3.679 -16.806 -8.804 473 HA GLU 58 HA GLU 58 -6.079 -15.400 -8.204 474 HB2 GLU 58 HB2 GLU 58 -4.024 -16.761 -6.484 475 HB3 GLU 58 HB3 GLU 58 -5.449 -15.981 -5.812 476 HG2 GLU 58 HG2 GLU 58 -6.853 -17.465 -7.225 477 HG3 GLU 58 HG3 GLU 58 -5.384 -18.305 -7.720 478 H GLU 59 H GLU 59 -6.124 -13.986 -6.129 479 HA GLU 59 HA GLU 59 -4.724 -11.598 -6.886 480 HB2 GLU 59 HB2 GLU 59 -6.082 -10.495 -5.144 481 HB3 GLU 59 HB3 GLU 59 -7.039 -11.383 -6.314 482 HG2 GLU 59 HG2 GLU 59 -7.188 -13.247 -4.639 483 HG3 GLU 59 HG3 GLU 59 -6.431 -12.161 -3.474 484 H VAL 60 H VAL 60 -3.077 -10.654 -5.993 485 HA VAL 60 HA VAL 60 -1.972 -11.817 -3.539 486 HB VAL 60 HB VAL 60 -0.476 -12.300 -5.341 487 HG11 VAL 60 HG11 VAL 60 -0.514 -9.384 -6.089 488 HG12 VAL 60 HG12 VAL 60 -1.243 -10.709 -6.995 489 HG13 VAL 60 HG13 VAL 60 0.510 -10.622 -6.818 490 HG21 VAL 60 HG21 VAL 60 1.579 -11.119 -4.706 491 HG22 VAL 60 HG22 VAL 60 0.649 -11.655 -3.307 492 HG23 VAL 60 HG23 VAL 60 0.613 -9.959 -3.793 493 HA PRO 61 HA PRO 61 -3.019 -7.861 -1.702 494 HB2 PRO 61 HB2 PRO 61 -1.262 -8.553 0.495 495 HB3 PRO 61 HB3 PRO 61 -3.018 -8.396 0.480 496 HG2 PRO 61 HG2 PRO 61 -1.598 -10.767 0.701 497 HG3 PRO 61 HG3 PRO 61 -3.306 -10.622 0.260 498 HD2 PRO 61 HD2 PRO 61 -0.984 -11.280 -1.397 499 HD3 PRO 61 HD3 PRO 61 -2.706 -11.575 -1.695 500 H LEU 62 H LEU 62 -2.002 -5.886 -1.147 501 HA LEU 62 HA LEU 62 0.269 -5.347 -2.731 502 HB2 LEU 62 HB2 LEU 62 -1.588 -3.719 -2.194 503 HB3 LEU 62 HB3 LEU 62 -0.817 -3.472 -0.645 504 HG LEU 62 HG LEU 62 1.188 -2.592 -1.728 505 HD11 LEU 62 HD11 LEU 62 -0.268 -3.125 -4.310 506 HD12 LEU 62 HD12 LEU 62 1.157 -3.984 -3.718 507 HD13 LEU 62 HD13 LEU 62 1.269 -2.274 -4.147 508 HD21 LEU 62 HD21 LEU 62 0.288 -0.580 -2.777 509 HD22 LEU 62 HD22 LEU 62 -0.591 -0.985 -1.299 510 HD23 LEU 62 HD23 LEU 62 -1.300 -1.340 -2.876 511 H SER 63 H SER 63 0.102 -6.226 0.640 512 HA SER 63 HA SER 63 2.572 -5.348 1.541 513 HB2 SER 63 HB2 SER 63 2.466 -7.549 2.914 514 HB3 SER 63 HB3 SER 63 1.198 -6.343 3.148 515 HG SER 63 HG SER 63 0.934 -8.874 2.367 516 H GLU 64 H GLU 64 1.813 -8.308 -0.262 517 HA GLU 64 HA GLU 64 4.530 -9.162 -0.430 518 HB2 GLU 64 HB2 GLU 64 2.018 -10.077 -1.790 519 HB3 GLU 64 HB3 GLU 64 3.588 -10.816 -2.082 520 HG2 GLU 64 HG2 GLU 64 3.764 -11.438 0.250 521 HG3 GLU 64 HG3 GLU 64 2.239 -10.624 0.603 522 H VAL 65 H VAL 65 2.337 -7.376 -2.529 523 HA VAL 65 HA VAL 65 3.931 -7.466 -4.882 524 HB VAL 65 HB VAL 65 1.827 -5.445 -4.058 525 HG11 VAL 65 HG11 VAL 65 1.619 -4.986 -6.462 526 HG12 VAL 65 HG12 VAL 65 2.992 -6.050 -6.772 527 HG13 VAL 65 HG13 VAL 65 3.216 -4.569 -5.840 528 HG21 VAL 65 HG21 VAL 65 0.941 -7.703 -4.129 529 HG22 VAL 65 HG22 VAL 65 1.606 -7.932 -5.747 530 HG23 VAL 65 HG23 VAL 65 0.320 -6.754 -5.480 531 H LEU 66 H LEU 66 3.720 -5.187 -2.188 532 HA LEU 66 HA LEU 66 5.374 -3.136 -3.254 533 HB2 LEU 66 HB2 LEU 66 3.645 -3.201 -1.270 534 HB3 LEU 66 HB3 LEU 66 5.057 -3.610 -0.321 535 HG LEU 66 HG LEU 66 6.092 -1.486 -0.840 536 HD11 LEU 66 HD11 LEU 66 5.304 -1.257 -3.137 537 HD12 LEU 66 HD12 LEU 66 4.912 0.177 -2.188 538 HD13 LEU 66 HD13 LEU 66 3.659 -1.013 -2.549 539 HD21 LEU 66 HD21 LEU 66 4.471 -1.556 0.992 540 HD22 LEU 66 HD22 LEU 66 3.180 -1.147 -0.142 541 HD23 LEU 66 HD23 LEU 66 4.471 0.014 0.187 542 H GLU 67 H GLU 67 5.993 -6.024 -1.408 543 HA GLU 67 HA GLU 67 8.763 -5.496 -0.935 544 HB2 GLU 67 HB2 GLU 67 7.347 -7.034 0.436 545 HB3 GLU 67 HB3 GLU 67 7.320 -8.144 -0.928 546 HG2 GLU 67 HG2 GLU 67 9.746 -8.348 -0.824 547 HG3 GLU 67 HG3 GLU 67 9.780 -7.226 0.533 548 H ALA 68 H ALA 68 6.875 -7.042 -3.470 549 HA ALA 68 HA ALA 68 9.034 -8.418 -4.715 550 HB1 ALA 68 HB1 ALA 68 6.381 -7.621 -5.897 551 HB2 ALA 68 HB2 ALA 68 6.701 -9.096 -4.982 552 HB3 ALA 68 HB3 ALA 68 7.495 -8.833 -6.535 553 H VAL 69 H VAL 69 7.372 -5.344 -5.576 554 HA VAL 69 HA VAL 69 9.008 -4.812 -7.824 555 HB VAL 69 HB VAL 69 8.274 -2.343 -7.442 556 HG11 VAL 69 HG11 VAL 69 6.233 -4.494 -7.955 557 HG12 VAL 69 HG12 VAL 69 7.318 -3.774 -9.146 558 HG13 VAL 69 HG13 VAL 69 6.064 -2.792 -8.387 559 HG21 VAL 69 HG21 VAL 69 6.393 -3.736 -5.532 560 HG22 VAL 69 HG22 VAL 69 6.223 -2.084 -6.123 561 HG23 VAL 69 HG23 VAL 69 7.597 -2.516 -5.102 562 H LYS 70 H LYS 70 9.365 -3.921 -4.439 563 HA LYS 70 HA LYS 70 11.692 -2.334 -4.753 564 HB2 LYS 70 HB2 LYS 70 10.121 -2.311 -2.796 565 HB3 LYS 70 HB3 LYS 70 10.891 -3.804 -2.266 566 HG2 LYS 70 HG2 LYS 70 13.054 -2.644 -2.193 567 HG3 LYS 70 HG3 LYS 70 12.251 -1.153 -2.680 568 HD2 LYS 70 HD2 LYS 70 11.631 -2.705 -0.178 569 HD3 LYS 70 HD3 LYS 70 12.684 -1.290 -0.256 570 HE2 LYS 70 HE2 LYS 70 10.773 -0.227 0.286 571 HE3 LYS 70 HE3 LYS 70 10.540 -0.280 -1.458 572 HZ1 LYS 70 HZ1 LYS 70 9.143 -2.213 -1.208 573 HZ2 LYS 70 HZ2 LYS 70 8.561 -0.972 -0.214 574 HZ3 LYS 70 HZ3 LYS 70 9.433 -2.258 0.462 575 H LYS 71 H LYS 71 11.215 -5.765 -4.456 576 HA LYS 71 HA LYS 71 13.807 -6.561 -3.641 577 HB2 LYS 71 HB2 LYS 71 11.498 -7.831 -3.905 578 HB3 LYS 71 HB3 LYS 71 12.135 -8.208 -5.494 579 HG2 LYS 71 HG2 LYS 71 14.076 -9.273 -4.456 580 HG3 LYS 71 HG3 LYS 71 13.413 -8.901 -2.863 581 HD2 LYS 71 HD2 LYS 71 12.051 -10.588 -4.960 582 HD3 LYS 71 HD3 LYS 71 12.940 -11.218 -3.577 583 HE2 LYS 71 HE2 LYS 71 10.588 -9.362 -3.262 584 HE3 LYS 71 HE3 LYS 71 10.392 -11.107 -3.387 585 HZ1 LYS 71 HZ1 LYS 71 11.787 -11.369 -1.438 586 HZ2 LYS 71 HZ2 LYS 71 10.452 -10.390 -1.088 587 HZ3 LYS 71 HZ3 LYS 71 11.979 -9.691 -1.312 588 H LYS 72 H LYS 72 12.321 -5.970 -6.794 589 HA LYS 72 HA LYS 72 14.665 -6.478 -8.363 590 HB2 LYS 72 HB2 LYS 72 11.940 -6.037 -8.832 591 HB3 LYS 72 HB3 LYS 72 12.753 -4.680 -9.590 592 HG2 LYS 72 HG2 LYS 72 13.657 -7.482 -10.113 593 HG3 LYS 72 HG3 LYS 72 12.280 -6.795 -10.976 594 HD2 LYS 72 HD2 LYS 72 13.715 -4.922 -11.693 595 HD3 LYS 72 HD3 LYS 72 15.089 -5.704 -10.906 596 HE2 LYS 72 HE2 LYS 72 14.969 -7.565 -12.383 597 HE3 LYS 72 HE3 LYS 72 13.427 -7.017 -13.040 598 HZ1 LYS 72 HZ1 LYS 72 14.487 -5.163 -14.050 599 HZ2 LYS 72 HZ2 LYS 72 15.358 -6.552 -14.487 600 HZ3 LYS 72 HZ3 LYS 72 15.965 -5.508 -13.298 601 H GLU 73 H GLU 73 13.327 -3.729 -6.705 602 HA GLU 73 HA GLU 73 14.914 -1.661 -7.877 603 HB2 GLU 73 HB2 GLU 73 12.718 -1.286 -6.830 604 HB3 GLU 73 HB3 GLU 73 13.350 -1.809 -5.285 605 HG2 GLU 73 HG2 GLU 73 13.143 0.539 -5.228 606 HG3 GLU 73 HG3 GLU 73 14.863 0.166 -5.318 607 H ASN 74 H ASN 74 15.636 -4.132 -5.688 608 HA ASN 74 HA ASN 74 17.539 -4.825 -4.700 609 HB2 ASN 74 HB2 ASN 74 18.554 -3.470 -6.724 610 HB3 ASN 74 HB3 ASN 74 19.051 -2.346 -5.473 611 HD21 ASN 74 HD21 ASN 74 20.645 -3.951 -7.268 612 HD22 ASN 74 HD22 ASN 74 21.676 -4.913 -6.272 613 H GLY 75 H GLY 75 15.609 -3.450 -3.217 614 HA2 GLY 75 HA2 GLY 75 15.358 -3.016 -0.976 615 HA3 GLY 75 HA3 GLY 75 17.084 -3.270 -0.796 616 H ALA 76 H ALA 76 14.799 -0.816 -2.036 617 HA ALA 76 HA ALA 76 16.454 1.232 -0.725 618 HB1 ALA 76 HB1 ALA 76 16.056 2.742 -2.621 619 HB2 ALA 76 HB2 ALA 76 15.161 1.465 -3.446 620 HB3 ALA 76 HB3 ALA 76 16.886 1.274 -3.141 621 H VAL 77 H VAL 77 14.795 3.444 -1.274 622 HA VAL 77 HA VAL 77 12.283 2.699 0.027 623 HB VAL 77 HB VAL 77 13.124 5.501 -0.772 624 HG11 VAL 77 HG11 VAL 77 11.506 6.172 0.920 625 HG12 VAL 77 HG12 VAL 77 11.141 4.479 1.248 626 HG13 VAL 77 HG13 VAL 77 10.751 5.177 -0.324 627 HG21 VAL 77 HG21 VAL 77 13.840 5.841 1.544 628 HG22 VAL 77 HG22 VAL 77 14.809 4.591 0.761 629 HG23 VAL 77 HG23 VAL 77 13.535 4.140 1.896 630 H ALA 78 H ALA 78 12.289 5.316 -2.426 631 HA ALA 78 HA ALA 78 11.744 3.334 -4.525 632 HB1 ALA 78 HB1 ALA 78 10.019 4.801 -5.446 633 HB2 ALA 78 HB2 ALA 78 10.232 5.912 -4.093 634 HB3 ALA 78 HB3 ALA 78 9.601 4.289 -3.810 635 H SER 79 H SER 79 12.761 3.778 -6.463 636 HA SER 79 HA SER 79 14.289 6.269 -6.667 637 HB2 SER 79 HB2 SER 79 14.218 3.889 -8.540 638 HB3 SER 79 HB3 SER 79 15.330 5.255 -8.640 639 HG SER 79 HG SER 79 15.515 3.021 -7.164 640 H ILE 80 H ILE 80 11.296 5.053 -7.564 641 HA ILE 80 HA ILE 80 11.019 6.792 -9.895 642 HB ILE 80 HB ILE 80 10.185 4.594 -10.313 643 HG12 ILE 80 HG12 ILE 80 7.794 6.378 -9.764 644 HG13 ILE 80 HG13 ILE 80 8.786 6.416 -11.214 645 HG21 ILE 80 HG21 ILE 80 8.560 4.817 -7.787 646 HG22 ILE 80 HG22 ILE 80 9.966 3.787 -8.056 647 HG23 ILE 80 HG23 ILE 80 8.472 3.489 -8.946 648 HD11 ILE 80 HD11 ILE 80 6.700 5.262 -11.622 649 HD12 ILE 80 HD12 ILE 80 7.046 4.128 -10.316 650 HD13 ILE 80 HD13 ILE 80 8.057 4.143 -11.761 651 H ASN 81 H ASN 81 9.724 8.567 -9.902 652 HA ASN 81 HA ASN 81 8.857 9.568 -7.311 653 HB2 ASN 81 HB2 ASN 81 9.343 10.851 -9.982 654 HB3 ASN 81 HB3 ASN 81 8.413 11.686 -8.744 655 HD21 ASN 81 HD21 ASN 81 11.552 10.477 -9.646 656 HD22 ASN 81 HD22 ASN 81 12.438 11.337 -8.435 657 H TYR 82 H TYR 82 6.795 9.660 -6.701 658 HA TYR 82 HA TYR 82 4.697 9.009 -8.617 659 HB2 TYR 82 HB2 TYR 82 3.177 8.896 -6.711 660 HB3 TYR 82 HB3 TYR 82 4.596 7.915 -6.418 661 HD1 TYR 82 HD1 TYR 82 6.504 9.223 -5.001 662 HD2 TYR 82 HD2 TYR 82 2.354 10.146 -4.980 663 HE1 TYR 82 HE1 TYR 82 6.758 10.279 -2.801 664 HE2 TYR 82 HE2 TYR 82 2.602 11.213 -2.782 665 HH TYR 82 HH TYR 82 4.149 11.090 -0.831 666 H LYS 83 H LYS 83 6.125 11.731 -7.182 667 HA LYS 83 HA LYS 83 3.872 13.486 -7.283 668 HB2 LYS 83 HB2 LYS 83 6.720 14.435 -7.201 669 HB3 LYS 83 HB3 LYS 83 5.306 15.101 -6.393 670 HG2 LYS 83 HG2 LYS 83 5.289 12.971 -5.001 671 HG3 LYS 83 HG3 LYS 83 6.895 12.663 -5.655 672 HD2 LYS 83 HD2 LYS 83 7.261 13.709 -3.597 673 HD3 LYS 83 HD3 LYS 83 7.503 14.977 -4.801 674 HE2 LYS 83 HE2 LYS 83 5.286 15.839 -4.396 675 HE3 LYS 83 HE3 LYS 83 4.941 14.510 -3.287 676 HZ1 LYS 83 HZ1 LYS 83 7.020 16.596 -2.891 677 HZ2 LYS 83 HZ2 LYS 83 6.686 15.322 -1.828 678 HZ3 LYS 83 HZ3 LYS 83 5.525 16.528 -2.097 679 H LYS 84 H LYS 84 6.599 12.719 -9.361 680 HA LYS 84 HA LYS 84 5.120 13.907 -11.544 681 HB2 LYS 84 HB2 LYS 84 7.091 14.942 -12.582 682 HB3 LYS 84 HB3 LYS 84 6.683 15.686 -11.053 683 HG2 LYS 84 HG2 LYS 84 8.840 13.616 -11.216 684 HG3 LYS 84 HG3 LYS 84 9.154 15.290 -11.666 685 HD2 LYS 84 HD2 LYS 84 8.240 15.923 -9.384 686 HD3 LYS 84 HD3 LYS 84 8.322 14.207 -8.983 687 HE2 LYS 84 HE2 LYS 84 10.321 15.282 -8.189 688 HE3 LYS 84 HE3 LYS 84 10.742 14.248 -9.556 689 HZ1 LYS 84 HZ1 LYS 84 11.815 16.433 -9.670 690 HZ2 LYS 84 HZ2 LYS 84 10.299 17.183 -9.711 691 HZ3 LYS 84 HZ3 LYS 84 10.780 16.175 -10.986 692 H ALA 85 H ALA 85 4.786 12.496 -12.955 693 HA ALA 85 HA ALA 85 6.768 10.586 -13.857 694 HB1 ALA 85 HB1 ALA 85 4.188 9.597 -12.622 695 HB2 ALA 85 HB2 ALA 85 5.798 9.413 -11.926 696 HB3 ALA 85 HB3 ALA 85 5.395 8.602 -13.439 697 H SER 86 H SER 86 5.721 9.155 -15.638 698 HA SER 86 HA SER 86 3.713 10.745 -17.063 699 HB2 SER 86 HB2 SER 86 6.038 10.463 -18.093 700 HB3 SER 86 HB3 SER 86 5.598 8.777 -18.355 701 HG SER 86 HG SER 86 4.595 9.409 -20.064 702 H ALA 87 H ALA 87 2.615 9.060 -18.801 703 HA ALA 87 HA ALA 87 0.849 7.608 -17.122 704 HB1 ALA 87 HB1 ALA 87 -0.383 7.097 -19.132 705 HB2 ALA 87 HB2 ALA 87 0.981 7.609 -20.127 706 HB3 ALA 87 HB3 ALA 87 0.118 8.788 -19.138 707 H ASP 88 H ASP 88 3.213 6.536 -19.572 708 HA ASP 88 HA ASP 88 2.722 3.764 -19.146 709 HB2 ASP 88 HB2 ASP 88 3.781 4.800 -21.220 710 HB3 ASP 88 HB3 ASP 88 5.266 4.903 -20.285 711 H GLU 89 H GLU 89 4.894 6.083 -17.822 712 HA GLU 89 HA GLU 89 6.804 4.503 -16.563 713 HB2 GLU 89 HB2 GLU 89 5.715 7.260 -16.176 714 HB3 GLU 89 HB3 GLU 89 6.825 6.617 -14.982 715 HG2 GLU 89 HG2 GLU 89 7.777 8.072 -16.818 716 HG3 GLU 89 HG3 GLU 89 8.593 6.565 -16.477 717 H LEU 90 H LEU 90 3.594 5.444 -15.484 718 HA LEU 90 HA LEU 90 3.707 4.716 -12.780 719 HB2 LEU 90 HB2 LEU 90 1.902 6.017 -14.001 720 HB3 LEU 90 HB3 LEU 90 1.326 4.496 -14.633 721 HG LEU 90 HG LEU 90 1.437 4.900 -11.655 722 HD11 LEU 90 HD11 LEU 90 -0.842 5.810 -11.764 723 HD12 LEU 90 HD12 LEU 90 -0.721 5.870 -13.524 724 HD13 LEU 90 HD13 LEU 90 0.332 6.878 -12.532 725 HD21 LEU 90 HD21 LEU 90 -0.538 3.444 -11.713 726 HD22 LEU 90 HD22 LEU 90 0.842 2.676 -12.498 727 HD23 LEU 90 HD23 LEU 90 -0.444 3.385 -13.475 728 H HIS 91 H HIS 91 2.496 2.779 -15.546 729 HA HIS 91 HA HIS 91 2.285 0.483 -13.809 730 HB2 HIS 91 HB2 HIS 91 1.158 -0.641 -15.670 731 HB3 HIS 91 HB3 HIS 91 0.435 0.920 -15.323 732 HD1 HIS 91 HD1 HIS 91 2.246 -0.976 -17.970 733 HD2 HIS 91 HD2 HIS 91 0.687 2.827 -17.383 734 HE1 HIS 91 HE1 HIS 91 2.247 0.113 -20.234 735 HE2 HIS 91 HE2 HIS 91 1.210 2.375 -19.879 736 H ALA 92 H ALA 92 4.682 1.680 -15.906 737 HA ALA 92 HA ALA 92 5.789 -0.776 -16.844 738 HB1 ALA 92 HB1 ALA 92 6.291 1.383 -17.900 739 HB2 ALA 92 HB2 ALA 92 7.754 0.518 -17.427 740 HB3 ALA 92 HB3 ALA 92 7.175 1.871 -16.454 741 H TYR 93 H TYR 93 6.051 0.997 -13.882 742 HA TYR 93 HA TYR 93 8.330 -0.340 -12.845 743 HB2 TYR 93 HB2 TYR 93 7.381 1.876 -12.052 744 HB3 TYR 93 HB3 TYR 93 6.131 0.944 -11.235 745 HD1 TYR 93 HD2 TYR 93 9.852 0.808 -11.564 746 HD2 TYR 93 HD1 TYR 93 6.482 0.619 -8.974 747 HE1 TYR 93 HE2 TYR 93 11.352 0.478 -9.650 748 HE2 TYR 93 HE1 TYR 93 7.978 0.281 -7.056 749 HH TYR 93 HH TYR 93 11.393 0.707 -7.286 750 H PHE 94 H PHE 94 4.915 -1.122 -13.019 751 HA PHE 94 HA PHE 94 4.995 -3.190 -11.028 752 HB2 PHE 94 HB2 PHE 94 2.946 -1.835 -11.898 753 HB3 PHE 94 HB3 PHE 94 2.938 -3.013 -13.208 754 HD1 PHE 94 HD1 PHE 94 2.752 -2.599 -9.591 755 HD2 PHE 94 HD2 PHE 94 2.031 -5.202 -12.862 756 HE1 PHE 94 HE1 PHE 94 1.551 -4.092 -8.102 757 HE2 PHE 94 HE2 PHE 94 0.810 -6.735 -11.367 758 HZ PHE 94 HZ PHE 94 0.569 -6.177 -8.979 759 H ALA 95 H ALA 95 5.369 -2.926 -14.508 760 HA ALA 95 HA ALA 95 5.331 -5.727 -15.089 761 HB1 ALA 95 HB1 ALA 95 4.715 -4.035 -16.747 762 HB2 ALA 95 HB2 ALA 95 6.022 -5.069 -17.326 763 HB3 ALA 95 HB3 ALA 95 6.374 -3.438 -16.753 764 H GLU 96 H GLU 96 7.596 -3.878 -13.542 765 HA GLU 96 HA GLU 96 10.041 -4.918 -14.529 766 HB2 GLU 96 HB2 GLU 96 9.629 -2.820 -13.119 767 HB3 GLU 96 HB3 GLU 96 9.490 -3.894 -11.741 768 HG2 GLU 96 HG2 GLU 96 11.678 -2.932 -11.806 769 HG3 GLU 96 HG3 GLU 96 11.780 -4.662 -12.127 770 H VAL 97 H VAL 97 7.683 -6.031 -12.156 771 HA VAL 97 HA VAL 97 9.293 -8.467 -11.826 772 HB VAL 97 HB VAL 97 8.090 -8.839 -9.638 773 HG11 VAL 97 HG11 VAL 97 9.932 -6.481 -9.915 774 HG12 VAL 97 HG12 VAL 97 10.398 -8.173 -9.728 775 HG13 VAL 97 HG13 VAL 97 9.587 -7.328 -8.407 776 HG21 VAL 97 HG21 VAL 97 6.272 -7.234 -9.902 777 HG22 VAL 97 HG22 VAL 97 7.436 -5.909 -9.944 778 HG23 VAL 97 HG23 VAL 97 7.236 -6.860 -8.471 779 H LEU 98 H LEU 98 6.009 -7.196 -12.181 780 HA LEU 98 HA LEU 98 5.140 -9.918 -12.903 781 HB2 LEU 98 HB2 LEU 98 3.728 -7.739 -11.424 782 HB3 LEU 98 HB3 LEU 98 2.774 -8.751 -12.481 783 HG LEU 98 HG LEU 98 2.540 -9.617 -10.293 784 HD11 LEU 98 HD11 LEU 98 2.780 -11.312 -11.998 785 HD12 LEU 98 HD12 LEU 98 3.449 -11.870 -10.464 786 HD13 LEU 98 HD13 LEU 98 4.525 -11.334 -11.757 787 HD21 LEU 98 HD21 LEU 98 4.444 -8.568 -9.215 788 HD22 LEU 98 HD22 LEU 98 5.544 -9.657 -10.062 789 HD23 LEU 98 HD23 LEU 98 4.405 -10.298 -8.877 790 HA PRO 99 HA PRO 99 4.362 -7.671 -16.798 791 HB2 PRO 99 HB2 PRO 99 5.284 -9.949 -18.247 792 HB3 PRO 99 HB3 PRO 99 6.111 -8.407 -18.026 793 HG2 PRO 99 HG2 PRO 99 6.980 -10.825 -16.997 794 HG3 PRO 99 HG3 PRO 99 7.448 -9.232 -16.376 795 HD2 PRO 99 HD2 PRO 99 5.356 -11.122 -15.368 796 HD3 PRO 99 HD3 PRO 99 6.521 -10.135 -14.451 797 H ASN 100 H ASN 100 2.936 -10.115 -15.195 798 HA ASN 100 HA ASN 100 1.302 -11.129 -17.413 799 HB2 ASN 100 HB2 ASN 100 2.536 -12.673 -15.811 800 HB3 ASN 100 HB3 ASN 100 1.410 -12.154 -14.567 801 HD21 ASN 100 HD21 ASN 100 0.631 -14.219 -14.287 802 HD22 ASN 100 HD22 ASN 100 -0.417 -14.968 -15.445 803 H TYR 101 H TYR 101 1.137 -8.549 -15.577 804 HA TYR 101 HA TYR 101 -1.637 -8.720 -14.725 805 HB2 TYR 101 HB2 TYR 101 -1.311 -6.569 -13.743 806 HB3 TYR 101 HB3 TYR 101 0.225 -7.394 -13.508 807 HD1 TYR 101 HD1 TYR 101 1.928 -6.984 -15.584 808 HD2 TYR 101 HD2 TYR 101 -1.207 -4.364 -14.418 809 HE1 TYR 101 HE1 TYR 101 3.059 -5.143 -16.724 810 HE2 TYR 101 HE2 TYR 101 -0.074 -2.504 -15.561 811 HH TYR 101 HH TYR 101 2.507 -3.028 -17.734 812 H ASP 102 H ASP 102 -3.039 -6.701 -15.471 813 HA ASP 102 HA ASP 102 -2.248 -5.497 -17.953 814 HB2 ASP 102 HB2 ASP 102 -3.581 -7.785 -18.365 815 HB3 ASP 102 HB3 ASP 102 -4.964 -6.716 -18.135 816 H ARG 103 H ARG 103 -4.226 -4.039 -18.710 817 HA ARG 103 HA ARG 103 -4.773 -2.250 -16.544 818 HB2 ARG 103 HB2 ARG 103 -6.097 -1.025 -18.396 819 HB3 ARG 103 HB3 ARG 103 -4.355 -1.150 -18.544 820 HG2 ARG 103 HG2 ARG 103 -5.059 -1.618 -20.680 821 HG3 ARG 103 HG3 ARG 103 -4.864 -3.230 -20.000 822 HD2 ARG 103 HD2 ARG 103 -7.430 -2.889 -19.410 823 HD3 ARG 103 HD3 ARG 103 -7.338 -1.764 -20.765 824 HE ARG 103 HE ARG 103 -6.896 -4.663 -20.864 825 HH11 ARG 103 HH11 ARG 103 -7.260 -1.612 -22.600 826 HH12 ARG 103 HH12 ARG 103 -7.430 -2.388 -24.146 827 HH21 ARG 103 HH21 ARG 103 -7.128 -5.647 -22.887 828 HH22 ARG 103 HH22 ARG 103 -7.369 -4.675 -24.306 829 H ASP 104 H ASP 104 -6.369 -4.960 -17.703 830 HA ASP 104 HA ASP 104 -9.077 -4.439 -17.158 831 HB2 ASP 104 HB2 ASP 104 -7.482 -7.007 -16.916 832 HB3 ASP 104 HB3 ASP 104 -9.235 -6.927 -16.841 833 H ARG 105 H ARG 105 -6.361 -5.222 -15.083 834 HA ARG 105 HA ARG 105 -8.188 -5.357 -12.785 835 HB2 ARG 105 HB2 ARG 105 -5.691 -6.937 -13.331 836 HB3 ARG 105 HB3 ARG 105 -6.406 -6.825 -11.730 837 HG2 ARG 105 HG2 ARG 105 -7.491 -8.676 -12.343 838 HG3 ARG 105 HG3 ARG 105 -8.561 -7.558 -13.184 839 HD2 ARG 105 HD2 ARG 105 -7.229 -7.872 -15.232 840 HD3 ARG 105 HD3 ARG 105 -6.219 -9.039 -14.374 841 HE ARG 105 HE ARG 105 -8.909 -9.797 -14.116 842 HH11 ARG 105 HH11 ARG 105 -6.426 -9.653 -16.603 843 HH12 ARG 105 HH12 ARG 105 -7.106 -10.955 -17.526 844 HH21 ARG 105 HH21 ARG 105 -9.794 -11.489 -15.341 845 HH22 ARG 105 HH22 ARG 105 -9.014 -11.986 -16.812 846 H VAL 106 H VAL 106 -4.949 -4.359 -13.847 847 HA VAL 106 HA VAL 106 -4.621 -2.801 -11.386 848 HB VAL 106 HB VAL 106 -2.642 -3.288 -13.641 849 HG11 VAL 106 HG11 VAL 106 -2.191 -1.183 -12.481 850 HG12 VAL 106 HG12 VAL 106 -0.948 -2.383 -12.128 851 HG13 VAL 106 HG13 VAL 106 -2.195 -2.028 -10.933 852 HG21 VAL 106 HG21 VAL 106 -1.500 -4.780 -12.076 853 HG22 VAL 106 HG22 VAL 106 -3.146 -5.331 -12.396 854 HG23 VAL 106 HG23 VAL 106 -2.770 -4.508 -10.882 855 H HIS 107 H HIS 107 -4.888 -0.650 -11.344 856 HA HIS 107 HA HIS 107 -5.832 0.557 -13.857 857 HB2 HIS 107 HB2 HIS 107 -6.592 1.299 -11.021 858 HB3 HIS 107 HB3 HIS 107 -7.242 2.024 -12.485 859 HD1 HIS 107 HD1 HIS 107 -8.965 0.608 -13.845 860 HD2 HIS 107 HD2 HIS 107 -7.682 -1.164 -10.309 861 HE1 HIS 107 HE1 HIS 107 -10.533 -1.321 -13.443 862 HE2 HIS 107 HE2 HIS 107 -9.595 -2.502 -11.430 863 H ASN 108 H ASN 108 -5.800 3.057 -13.672 864 HA ASN 108 HA ASN 108 -2.997 3.768 -13.474 865 HB2 ASN 108 HB2 ASN 108 -5.344 5.456 -14.402 866 HB3 ASN 108 HB3 ASN 108 -3.639 5.840 -14.611 867 HD21 ASN 108 HD21 ASN 108 -6.308 3.940 -15.726 868 HD22 ASN 108 HD22 ASN 108 -5.546 3.341 -17.160 869 H GLY 109 H GLY 109 -2.565 3.882 -11.314 870 HA2 GLY 109 HA2 GLY 109 -2.505 6.043 -9.837 871 HA3 GLY 109 HA3 GLY 109 -4.203 5.634 -9.633 872 H ASP 110 H ASP 110 -3.275 2.713 -9.890 873 HA ASP 110 HA ASP 110 -3.178 2.066 -7.163 874 HB2 ASP 110 HB2 ASP 110 -2.633 0.516 -9.666 875 HB3 ASP 110 HB3 ASP 110 -2.273 -0.211 -8.103 876 H ILE 111 H ILE 111 -0.604 2.403 -9.507 877 HA ILE 111 HA ILE 111 1.463 1.679 -7.702 878 HB ILE 111 HB ILE 111 1.728 3.135 -10.340 879 HG12 ILE 111 HG12 ILE 111 0.579 1.019 -10.671 880 HG13 ILE 111 HG13 ILE 111 2.227 0.887 -11.275 881 HG21 ILE 111 HG21 ILE 111 4.021 2.309 -10.369 882 HG22 ILE 111 HG22 ILE 111 3.775 1.524 -8.808 883 HG23 ILE 111 HG23 ILE 111 3.743 3.285 -8.923 884 HD11 ILE 111 HD11 ILE 111 1.213 -0.165 -8.647 885 HD12 ILE 111 HD12 ILE 111 2.870 -0.293 -9.238 886 HD13 ILE 111 HD13 ILE 111 1.562 -1.116 -10.091 887 H LYS 112 H LYS 112 -0.021 4.803 -8.590 888 HA LYS 112 HA LYS 112 2.124 6.339 -7.471 889 HB2 LYS 112 HB2 LYS 112 -0.653 7.085 -8.327 890 HB3 LYS 112 HB3 LYS 112 0.400 8.234 -7.512 891 HG2 LYS 112 HG2 LYS 112 2.095 7.825 -9.291 892 HG3 LYS 112 HG3 LYS 112 0.880 6.863 -10.139 893 HD2 LYS 112 HD2 LYS 112 -0.620 8.820 -10.139 894 HD3 LYS 112 HD3 LYS 112 0.658 9.766 -9.373 895 HE2 LYS 112 HE2 LYS 112 2.072 9.535 -11.277 896 HE3 LYS 112 HE3 LYS 112 0.978 8.365 -12.016 897 HZ1 LYS 112 HZ1 LYS 112 0.770 10.588 -12.980 898 HZ2 LYS 112 HZ2 LYS 112 0.308 11.203 -11.467 899 HZ3 LYS 112 HZ3 LYS 112 -0.673 10.073 -12.258 900 H LYS 113 H LYS 113 -0.921 5.118 -6.162 901 HA LYS 113 HA LYS 113 -0.607 6.397 -3.615 902 HB2 LYS 113 HB2 LYS 113 -2.387 4.928 -2.843 903 HB3 LYS 113 HB3 LYS 113 -2.805 5.568 -4.425 904 HG2 LYS 113 HG2 LYS 113 -2.026 3.421 -5.424 905 HG3 LYS 113 HG3 LYS 113 -1.793 2.805 -3.790 906 HD2 LYS 113 HD2 LYS 113 -4.208 3.229 -3.350 907 HD3 LYS 113 HD3 LYS 113 -4.392 3.678 -5.049 908 HE2 LYS 113 HE2 LYS 113 -3.454 1.428 -5.640 909 HE3 LYS 113 HE3 LYS 113 -3.565 1.007 -3.931 910 HZ1 LYS 113 HZ1 LYS 113 -5.482 0.234 -5.187 911 HZ2 LYS 113 HZ2 LYS 113 -5.838 1.818 -5.658 912 HZ3 LYS 113 HZ3 LYS 113 -5.943 1.380 -4.024 913 H LEU 114 H LEU 114 0.600 3.552 -5.121 914 HA LEU 114 HA LEU 114 1.479 2.162 -2.805 915 HB2 LEU 114 HB2 LEU 114 0.935 0.876 -4.663 916 HB3 LEU 114 HB3 LEU 114 1.749 1.940 -5.777 917 HG LEU 114 HG LEU 114 3.352 0.196 -3.929 918 HD11 LEU 114 HD11 LEU 114 2.140 -0.568 -6.578 919 HD12 LEU 114 HD12 LEU 114 1.716 -1.247 -5.006 920 HD13 LEU 114 HD13 LEU 114 3.326 -1.511 -5.675 921 HD21 LEU 114 HD21 LEU 114 4.538 1.873 -5.267 922 HD22 LEU 114 HD22 LEU 114 3.797 1.209 -6.730 923 HD23 LEU 114 HD23 LEU 114 4.920 0.228 -5.787 924 H ILE 115 H ILE 115 3.009 4.461 -5.063 925 HA ILE 115 HA ILE 115 5.621 4.309 -3.886 926 HB ILE 115 HB ILE 115 4.604 6.744 -5.359 927 HG12 ILE 115 HG12 ILE 115 4.090 4.800 -6.778 928 HG13 ILE 115 HG13 ILE 115 5.360 5.798 -7.472 929 HG21 ILE 115 HG21 ILE 115 6.773 6.972 -4.300 930 HG22 ILE 115 HG22 ILE 115 6.942 6.969 -6.056 931 HG23 ILE 115 HG23 ILE 115 7.352 5.525 -5.128 932 HD11 ILE 115 HD11 ILE 115 7.028 4.182 -6.730 933 HD12 ILE 115 HD12 ILE 115 5.813 3.431 -7.764 934 HD13 ILE 115 HD13 ILE 115 5.756 3.191 -6.017 935 H SER 116 H SER 116 2.722 6.177 -3.241 936 HA SER 116 HA SER 116 3.771 8.026 -1.412 937 HB2 SER 116 HB2 SER 116 1.487 8.189 -2.326 938 HB3 SER 116 HB3 SER 116 1.026 6.739 -1.439 939 HG SER 116 HG SER 116 0.385 8.346 -0.139 940 H TRP 117 H TRP 117 2.477 4.715 -0.870 941 HA TRP 117 HA TRP 117 3.139 4.856 1.955 942 HB2 TRP 117 HB2 TRP 117 2.186 2.396 0.490 943 HB3 TRP 117 HB3 TRP 117 2.099 2.731 2.218 944 HD1 TRP 117 HD1 TRP 117 0.737 5.604 2.134 945 HE1 TRP 117 HE1 TRP 117 -1.704 5.846 1.374 946 HE3 TRP 117 HE3 TRP 117 0.241 1.238 -0.477 947 HZ2 TRP 117 HZ2 TRP 117 -3.595 4.389 -0.103 948 HZ3 TRP 117 HZ3 TRP 117 -1.927 0.741 -1.522 949 HH2 TRP 117 HH2 TRP 117 -3.802 2.285 -1.339 950 H TYR 118 H TYR 118 4.737 4.006 -0.864 951 HA TYR 118 HA TYR 118 6.571 2.023 -0.161 952 HB2 TYR 118 HB2 TYR 118 6.159 3.859 -2.254 953 HB3 TYR 118 HB3 TYR 118 7.776 4.185 -1.666 954 HD1 TYR 118 HD1 TYR 118 7.624 0.903 -0.987 955 HD2 TYR 118 HD2 TYR 118 7.541 3.479 -4.347 956 HE1 TYR 118 HE1 TYR 118 8.523 -0.891 -2.385 957 HE2 TYR 118 HE2 TYR 118 8.449 1.688 -5.757 958 HH TYR 118 HH TYR 118 9.665 -0.361 -5.572 959 H ASN 119 H ASN 119 6.659 5.524 0.234 960 HA ASN 119 HA ASN 119 9.262 5.589 1.430 961 HB2 ASN 119 HB2 ASN 119 7.105 7.659 1.076 962 HB3 ASN 119 HB3 ASN 119 8.581 8.000 1.961 963 HD21 ASN 119 HD21 ASN 119 8.449 5.990 -0.952 964 HD22 ASN 119 HD22 ASN 119 9.339 7.093 -1.945 965 H ILE 120 H ILE 120 6.014 5.428 2.565 966 HA ILE 120 HA ILE 120 6.355 6.279 5.240 967 HB ILE 120 HB ILE 120 4.239 4.669 3.818 968 HG12 ILE 120 HG12 ILE 120 4.123 7.469 4.928 969 HG13 ILE 120 HG13 ILE 120 4.616 7.096 3.278 970 HG21 ILE 120 HG21 ILE 120 2.758 4.989 5.746 971 HG22 ILE 120 HG22 ILE 120 4.104 5.672 6.662 972 HG23 ILE 120 HG23 ILE 120 4.154 3.981 6.149 973 HD11 ILE 120 HD11 ILE 120 2.295 7.771 3.385 974 HD12 ILE 120 HD12 ILE 120 1.954 6.455 4.509 975 HD13 ILE 120 HD13 ILE 120 2.445 6.097 2.853 976 H LEU 121 H LEU 121 6.020 3.024 3.830 977 HA LEU 121 HA LEU 121 6.097 1.774 6.386 978 HB2 LEU 121 HB2 LEU 121 6.209 0.594 3.614 979 HB3 LEU 121 HB3 LEU 121 5.989 -0.330 5.089 980 HG LEU 121 HG LEU 121 4.081 1.817 4.146 981 HD11 LEU 121 HD11 LEU 121 3.853 -1.170 3.912 982 HD12 LEU 121 HD12 LEU 121 4.083 -0.034 2.582 983 HD13 LEU 121 HD13 LEU 121 2.592 0.001 3.526 984 HD21 LEU 121 HD21 LEU 121 4.047 1.447 6.550 985 HD22 LEU 121 HD22 LEU 121 3.832 -0.285 6.289 986 HD23 LEU 121 HD23 LEU 121 2.570 0.844 5.796 987 H VAL 122 H VAL 122 8.464 2.133 3.794 988 HA VAL 122 HA VAL 122 10.450 0.476 4.984 989 HB VAL 122 HB VAL 122 10.780 2.704 2.947 990 HG11 VAL 122 HG11 VAL 122 12.939 2.093 3.927 991 HG12 VAL 122 HG12 VAL 122 12.821 1.564 2.248 992 HG13 VAL 122 HG13 VAL 122 12.626 0.397 3.558 993 HG21 VAL 122 HG21 VAL 122 10.750 0.865 1.328 994 HG22 VAL 122 HG22 VAL 122 9.229 1.050 2.207 995 HG23 VAL 122 HG23 VAL 122 10.347 -0.244 2.639 996 H ASN 123 H ASN 123 9.611 3.838 5.422 997 HA ASN 123 HA ASN 123 12.000 4.737 6.643 998 HB2 ASN 123 HB2 ASN 123 9.445 5.802 6.050 999 HB3 ASN 123 HB3 ASN 123 9.738 6.071 7.763 1000 HD21 ASN 123 HD21 ASN 123 12.055 6.007 5.064 1001 HD22 ASN 123 HD22 ASN 123 12.592 7.637 5.268 1002 H ASN 124 H ASN 124 9.345 2.865 7.810 1003 HA ASN 124 HA ASN 124 10.318 3.087 10.582 1004 HB2 ASN 124 HB2 ASN 124 7.618 2.422 9.416 1005 HB3 ASN 124 HB3 ASN 124 8.026 1.975 11.064 1006 HD21 ASN 124 HD21 ASN 124 9.304 4.934 9.750 1007 HD22 ASN 124 HD22 ASN 124 8.277 5.995 10.649 1008 H GLY 125 H GLY 125 10.291 1.082 7.882 1009 HA2 GLY 125 HA2 GLY 125 11.183 -1.056 7.614 1010 HA3 GLY 125 HA3 GLY 125 11.147 -1.277 9.359 1011 H ILE 126 H ILE 126 8.628 -0.869 10.005 1012 HA ILE 126 HA ILE 126 6.777 -2.001 10.478 1013 HB ILE 126 HB ILE 126 6.526 -2.446 7.494 1014 HG12 ILE 126 HG12 ILE 126 6.834 -0.064 8.184 1015 HG13 ILE 126 HG13 ILE 126 5.295 -0.398 7.408 1016 HG21 ILE 126 HG21 ILE 126 4.401 -2.461 9.649 1017 HG22 ILE 126 HG22 ILE 126 4.991 -3.876 8.775 1018 HG23 ILE 126 HG23 ILE 126 4.116 -2.610 7.914 1019 HD11 ILE 126 HD11 ILE 126 5.004 1.134 9.227 1020 HD12 ILE 126 HD12 ILE 126 5.758 0.002 10.355 1021 HD13 ILE 126 HD13 ILE 126 4.208 -0.393 9.607 1022 H THR 127 H THR 127 7.160 -4.344 7.833 1023 HA THR 127 HA THR 127 8.498 -6.232 9.586 1024 HB THR 127 HB THR 127 5.819 -7.083 8.482 1025 HG1 THR 127 HG1 THR 127 6.434 -5.832 10.934 1026 HG21 THR 127 HG21 THR 127 6.067 -8.920 10.099 1027 HG22 THR 127 HG22 THR 127 7.619 -8.253 10.606 1028 HG23 THR 127 HG23 THR 127 7.418 -8.866 8.966 1029 H GLU 128 H GLU 128 6.480 -6.220 6.655 1030 HA GLU 128 HA GLU 128 8.381 -7.917 5.255 1031 HB2 GLU 128 HB2 GLU 128 5.744 -6.745 4.305 1032 HB3 GLU 128 HB3 GLU 128 6.686 -7.945 3.450 1033 HG2 GLU 128 HG2 GLU 128 4.994 -9.191 4.373 1034 HG3 GLU 128 HG3 GLU 128 6.282 -9.401 5.555 1035 H PHE 129 H PHE 129 7.469 -6.604 2.674 1036 HA PHE 129 HA PHE 129 7.745 -4.851 1.262 1037 HB2 PHE 129 HB2 PHE 129 8.200 -3.068 3.664 1038 HB3 PHE 129 HB3 PHE 129 7.617 -2.594 2.073 1039 HD1 PHE 129 HD1 PHE 129 5.357 -3.686 1.347 1040 HD2 PHE 129 HD2 PHE 129 6.706 -3.403 5.367 1041 HE1 PHE 129 HE1 PHE 129 3.048 -3.945 2.137 1042 HE2 PHE 129 HE2 PHE 129 4.406 -3.675 6.174 1043 HZ PHE 129 HZ PHE 129 2.564 -3.941 4.555 1044 H VAL 130 H VAL 130 10.009 -6.448 2.127 1045 HA VAL 130 HA VAL 130 12.246 -6.630 2.024 1046 HB VAL 130 HB VAL 130 12.224 -3.918 0.660 1047 HG11 VAL 130 HG11 VAL 130 14.423 -5.981 0.784 1048 HG12 VAL 130 HG12 VAL 130 14.427 -4.409 1.586 1049 HG13 VAL 130 HG13 VAL 130 14.442 -4.501 -0.175 1050 HG21 VAL 130 HG21 VAL 130 10.975 -5.605 -0.572 1051 HG22 VAL 130 HG22 VAL 130 12.359 -6.699 -0.500 1052 HG23 VAL 130 HG23 VAL 130 12.471 -5.190 -1.407 1053 H GLU 131 H GLU 131 13.314 -6.668 3.806 1054 HA GLU 131 HA GLU 131 12.940 -4.673 5.840 1055 HB2 GLU 131 HB2 GLU 131 14.645 -7.167 5.800 1056 HB3 GLU 131 HB3 GLU 131 14.335 -6.178 7.222 1057 HG2 GLU 131 HG2 GLU 131 11.927 -6.652 6.992 1058 HG3 GLU 131 HG3 GLU 131 12.286 -7.697 5.624 1059 H ALA 132 H ALA 132 14.950 -4.687 3.265 1060 HA ALA 132 HA ALA 132 17.201 -3.397 4.617 1061 HB1 ALA 132 HB1 ALA 132 18.307 -3.525 2.421 1062 HB2 ALA 132 HB2 ALA 132 16.842 -4.225 1.731 1063 HB3 ALA 132 HB3 ALA 132 17.745 -5.108 2.961 1064 HA PRO 133 HA PRO 133 15.065 0.381 3.253 1065 HB2 PRO 133 HB2 PRO 133 16.037 1.784 5.511 1066 HB3 PRO 133 HB3 PRO 133 14.439 1.065 5.315 1067 HG2 PRO 133 HG2 PRO 133 16.384 0.237 7.139 1068 HG3 PRO 133 HG3 PRO 133 14.962 -0.697 6.644 1069 HD2 PRO 133 HD2 PRO 133 17.786 -0.886 5.681 1070 HD3 PRO 133 HD3 PRO 133 16.596 -2.178 5.958 1071 H ALA 134 H ALA 134 15.794 2.220 2.226 1072 HA ALA 134 HA ALA 134 18.677 2.655 2.096 1073 HB1 ALA 134 HB1 ALA 134 18.165 4.271 0.335 1074 HB2 ALA 134 HB2 ALA 134 16.439 4.042 0.618 1075 HB3 ALA 134 HB3 ALA 134 17.416 2.710 -0.001 1076 H LEU 135 H LEU 135 19.653 4.598 2.729 1077 HA LEU 135 HA LEU 135 18.443 5.860 5.004 1078 HB2 LEU 135 HB2 LEU 135 21.064 6.388 3.602 1079 HB3 LEU 135 HB3 LEU 135 20.558 7.191 5.074 1080 HG LEU 135 HG LEU 135 21.022 4.216 4.812 1081 HD11 LEU 135 HD11 LEU 135 23.087 5.500 4.561 1082 HD12 LEU 135 HD12 LEU 135 23.056 4.634 6.098 1083 HD13 LEU 135 HD13 LEU 135 22.734 6.368 6.055 1084 HD21 LEU 135 HD21 LEU 135 19.392 4.796 6.544 1085 HD22 LEU 135 HD22 LEU 135 20.530 5.955 7.232 1086 HD23 LEU 135 HD23 LEU 135 20.903 4.232 7.257 1087 H GLU 136 H GLU 136 16.663 6.943 4.214 1088 HA GLU 136 HA GLU 136 17.253 9.603 3.234 1089 HB2 GLU 136 HB2 GLU 136 16.672 7.827 1.296 1090 HB3 GLU 136 HB3 GLU 136 15.036 8.242 1.776 1091 HG2 GLU 136 HG2 GLU 136 17.114 10.256 0.944 1092 HG3 GLU 136 HG3 GLU 136 15.927 9.547 -0.146 1093 H HIS 137 H HIS 137 16.521 10.464 5.078 1094 HA HIS 137 HA HIS 137 13.685 10.018 5.689 1095 HB2 HIS 137 HB2 HIS 137 14.205 10.969 7.989 1096 HB3 HIS 137 HB3 HIS 137 14.826 9.362 7.656 1097 HD1 HIS 137 HD1 HIS 137 17.291 9.005 7.931 1098 HD2 HIS 137 HD2 HIS 137 16.250 13.033 8.068 1099 HE1 HIS 137 HE1 HIS 137 19.372 10.223 8.664 1100 HE2 HIS 137 HE2 HIS 137 18.771 12.657 8.539 1101 H HIS 138 H HIS 138 12.344 11.590 5.360 1102 HA HIS 138 HA HIS 138 13.382 14.331 5.273 1103 HB2 HIS 138 HB2 HIS 138 11.689 14.819 3.450 1104 HB3 HIS 138 HB3 HIS 138 13.057 13.833 2.970 1105 HD1 HIS 138 HD1 HIS 138 12.579 11.512 2.065 1106 HD2 HIS 138 HD2 HIS 138 9.182 13.439 3.506 1107 HE1 HIS 138 HE1 HIS 138 10.633 10.122 1.298 1108 HE2 HIS 138 HE2 HIS 138 8.599 11.429 1.974 1109 H HIS 139 H HIS 139 11.092 15.740 5.037 1110 HA HIS 139 HA HIS 139 10.053 15.324 7.714 1111 HB2 HIS 139 HB2 HIS 139 9.619 17.638 5.817 1112 HB3 HIS 139 HB3 HIS 139 9.109 17.580 7.498 1113 HD1 HIS 139 HD1 HIS 139 11.350 17.038 9.164 1114 HD2 HIS 139 HD2 HIS 139 11.934 18.984 5.541 1115 HE1 HIS 139 HE1 HIS 139 13.581 18.178 9.367 1116 HE2 HIS 139 HE2 HIS 139 13.846 19.465 7.219 1117 H HIS 140 H HIS 140 7.931 15.101 8.251 1118 HA HIS 140 HA HIS 140 6.151 14.283 6.056 1119 HB2 HIS 140 HB2 HIS 140 6.888 12.380 7.400 1120 HB3 HIS 140 HB3 HIS 140 6.381 13.186 8.877 1121 HD1 HIS 140 HD1 HIS 140 4.046 12.772 9.638 1122 HD2 HIS 140 HD2 HIS 140 4.664 11.581 5.710 1123 HE1 HIS 140 HE1 HIS 140 1.916 11.656 8.934 1124 HE2 HIS 140 HE2 HIS 140 2.401 10.751 6.630 1125 H HIS 141 H HIS 141 4.128 15.123 5.987 1126 HA HIS 141 HA HIS 141 3.167 16.667 8.300 1127 HB2 HIS 141 HB2 HIS 141 3.010 17.432 5.378 1128 HB3 HIS 141 HB3 HIS 141 1.978 18.157 6.604 1129 HD1 HIS 141 HD1 HIS 141 5.233 18.483 5.024 1130 HD2 HIS 141 HD2 HIS 141 3.519 19.617 8.636 1131 HE1 HIS 141 HE1 HIS 141 6.731 20.279 5.942 1132 HE2 HIS 141 HE2 HIS 141 5.753 20.855 8.190 1133 H HIS 142 H HIS 142 0.794 16.939 8.305 1134 HA HIS 142 HA HIS 142 -0.628 14.710 6.999 1135 HB2 HIS 142 HB2 HIS 142 -0.301 14.092 9.324 1136 HB3 HIS 142 HB3 HIS 142 -0.864 15.664 9.871 1137 HD1 HIS 142 HD1 HIS 142 -3.070 15.446 10.924 1138 HD2 HIS 142 HD2 HIS 142 -2.662 12.833 7.716 1139 HE1 HIS 142 HE1 HIS 142 -5.234 14.173 10.816 1140 HE2 HIS 142 HE2 HIS 142 -5.045 12.764 8.742 Start of MODEL 9 1 H1 MET 1 H1 MET 1 0.804 -7.911 12.134 2 H2 MET 1 H2 MET 1 1.825 -7.445 10.871 3 H3 MET 1 H3 MET 1 1.960 -9.000 11.540 4 HA MET 1 HA MET 1 0.836 -9.162 9.447 5 HB2 MET 1 HB2 MET 1 -0.007 -10.270 11.787 6 HB3 MET 1 HB3 MET 1 -1.462 -9.408 11.321 7 HG2 MET 1 HG2 MET 1 -0.077 -11.267 9.423 8 HG3 MET 1 HG3 MET 1 -1.215 -11.860 10.629 9 HE1 MET 1 HE1 MET 1 -1.498 -12.311 7.439 10 HE2 MET 1 HE2 MET 1 -3.244 -12.092 7.280 11 HE3 MET 1 HE3 MET 1 -2.571 -12.983 8.652 12 H LEU 2 H LEU 2 -1.112 -8.575 8.185 13 HA LEU 2 HA LEU 2 -1.325 -5.716 8.147 14 HB2 LEU 2 HB2 LEU 2 -2.457 -7.859 6.362 15 HB3 LEU 2 HB3 LEU 2 -2.833 -6.165 6.144 16 HG LEU 2 HG LEU 2 -1.159 -6.483 4.608 17 HD11 LEU 2 HD11 LEU 2 0.886 -5.409 5.417 18 HD12 LEU 2 HD12 LEU 2 0.336 -5.628 7.078 19 HD13 LEU 2 HD13 LEU 2 -0.569 -4.585 5.981 20 HD21 LEU 2 HD21 LEU 2 -0.588 -8.765 5.158 21 HD22 LEU 2 HD22 LEU 2 0.320 -8.225 6.570 22 HD23 LEU 2 HD23 LEU 2 0.875 -7.803 4.950 23 H LYS 3 H LYS 3 -3.736 -5.091 7.207 24 HA LYS 3 HA LYS 3 -5.761 -4.297 7.809 25 HB2 LYS 3 HB2 LYS 3 -6.354 -6.725 8.348 26 HB3 LYS 3 HB3 LYS 3 -5.955 -6.361 10.015 27 HG2 LYS 3 HG2 LYS 3 -7.722 -4.679 10.081 28 HG3 LYS 3 HG3 LYS 3 -8.129 -5.039 8.403 29 HD2 LYS 3 HD2 LYS 3 -8.212 -7.042 10.655 30 HD3 LYS 3 HD3 LYS 3 -9.617 -6.153 10.063 31 HE2 LYS 3 HE2 LYS 3 -9.303 -7.148 7.846 32 HE3 LYS 3 HE3 LYS 3 -7.895 -8.026 8.440 33 HZ1 LYS 3 HZ1 LYS 3 -9.300 -9.228 9.953 34 HZ2 LYS 3 HZ2 LYS 3 -9.894 -9.393 8.374 35 HZ3 LYS 3 HZ3 LYS 3 -10.660 -8.348 9.462 36 H THR 4 H THR 4 -3.026 -4.166 9.487 37 HA THR 4 HA THR 4 -3.983 -2.566 11.733 38 HB THR 4 HB THR 4 -1.484 -2.374 12.236 39 HG1 THR 4 HG1 THR 4 -0.531 -4.466 11.081 40 HG21 THR 4 HG21 THR 4 -2.702 -5.145 12.193 41 HG22 THR 4 HG22 THR 4 -2.962 -3.923 13.438 42 HG23 THR 4 HG23 THR 4 -1.359 -4.619 13.208 43 H ILE 5 H ILE 5 -2.091 -2.292 8.784 44 HA ILE 5 HA ILE 5 -1.551 0.509 9.162 45 HB ILE 5 HB ILE 5 -1.088 -1.201 6.698 46 HG12 ILE 5 HG12 ILE 5 0.172 -2.053 8.648 47 HG13 ILE 5 HG13 ILE 5 1.237 -1.415 7.403 48 HG21 ILE 5 HG21 ILE 5 0.516 0.528 6.027 49 HG22 ILE 5 HG22 ILE 5 0.059 1.491 7.433 50 HG23 ILE 5 HG23 ILE 5 -1.123 1.165 6.166 51 HD11 ILE 5 HD11 ILE 5 1.537 0.625 8.711 52 HD12 ILE 5 HD12 ILE 5 2.010 -0.814 9.616 53 HD13 ILE 5 HD13 ILE 5 0.472 -0.022 9.960 54 H LEU 6 H LEU 6 -3.122 1.893 8.920 55 HA LEU 6 HA LEU 6 -4.919 1.648 6.609 56 HB2 LEU 6 HB2 LEU 6 -5.294 2.821 9.329 57 HB3 LEU 6 HB3 LEU 6 -6.114 3.586 7.984 58 HG LEU 6 HG LEU 6 -7.149 1.345 7.460 59 HD11 LEU 6 HD11 LEU 6 -6.108 0.628 10.195 60 HD12 LEU 6 HD12 LEU 6 -5.583 -0.085 8.669 61 HD13 LEU 6 HD13 LEU 6 -7.239 -0.319 9.228 62 HD21 LEU 6 HD21 LEU 6 -7.751 2.586 10.133 63 HD22 LEU 6 HD22 LEU 6 -8.832 1.538 9.213 64 HD23 LEU 6 HD23 LEU 6 -8.371 3.115 8.569 65 H SER 7 H SER 7 -4.954 3.226 5.155 66 HA SER 7 HA SER 7 -2.622 4.935 5.145 67 HB2 SER 7 HB2 SER 7 -4.657 4.360 2.988 68 HB3 SER 7 HB3 SER 7 -3.092 5.144 2.771 69 HG SER 7 HG SER 7 -2.169 3.255 2.766 70 H ILE 8 H ILE 8 -2.611 7.018 5.216 71 HA ILE 8 HA ILE 8 -5.174 8.453 5.446 72 HB ILE 8 HB ILE 8 -2.621 9.144 6.946 73 HG12 ILE 8 HG12 ILE 8 -3.505 7.046 7.802 74 HG13 ILE 8 HG13 ILE 8 -3.760 8.333 8.971 75 HG21 ILE 8 HG21 ILE 8 -5.424 10.224 7.241 76 HG22 ILE 8 HG22 ILE 8 -4.058 11.071 6.517 77 HG23 ILE 8 HG23 ILE 8 -4.033 10.666 8.233 78 HD11 ILE 8 HD11 ILE 8 -5.856 7.183 7.129 79 HD12 ILE 8 HD12 ILE 8 -6.116 8.458 8.320 80 HD13 ILE 8 HD13 ILE 8 -5.678 6.832 8.849 81 H ALA 9 H ALA 9 -5.338 10.354 4.304 82 HA ALA 9 HA ALA 9 -3.028 11.041 2.630 83 HB1 ALA 9 HB1 ALA 9 -4.468 9.591 1.303 84 HB2 ALA 9 HB2 ALA 9 -4.463 11.234 0.661 85 HB3 ALA 9 HB3 ALA 9 -5.837 10.660 1.606 86 H GLY 10 H GLY 10 -4.632 12.158 5.000 87 HA2 GLY 10 HA2 GLY 10 -5.594 14.702 4.051 88 HA3 GLY 10 HA3 GLY 10 -5.380 14.219 5.728 89 H LYS 11 H LYS 11 -2.955 13.827 6.243 90 HA LYS 11 HA LYS 11 -1.145 15.648 4.954 91 HB2 LYS 11 HB2 LYS 11 -2.327 17.216 6.385 92 HB3 LYS 11 HB3 LYS 11 -2.050 16.199 7.791 93 HG2 LYS 11 HG2 LYS 11 0.326 16.609 7.666 94 HG3 LYS 11 HG3 LYS 11 0.113 17.544 6.186 95 HD2 LYS 11 HD2 LYS 11 -1.078 19.246 7.342 96 HD3 LYS 11 HD3 LYS 11 -1.181 18.260 8.805 97 HE2 LYS 11 HE2 LYS 11 1.195 18.389 9.120 98 HE3 LYS 11 HE3 LYS 11 1.396 19.214 7.575 99 HZ1 LYS 11 HZ1 LYS 11 0.268 21.112 8.415 100 HZ2 LYS 11 HZ2 LYS 11 1.467 20.697 9.538 101 HZ3 LYS 11 HZ3 LYS 11 -0.153 20.319 9.848 102 HA PRO 12 HA PRO 12 1.308 12.824 8.041 103 HB2 PRO 12 HB2 PRO 12 -0.034 10.841 9.327 104 HB3 PRO 12 HB3 PRO 12 0.269 12.427 10.049 105 HG2 PRO 12 HG2 PRO 12 -2.192 11.409 8.679 106 HG3 PRO 12 HG3 PRO 12 -2.055 12.313 10.200 107 HD2 PRO 12 HD2 PRO 12 -2.731 13.506 7.902 108 HD3 PRO 12 HD3 PRO 12 -1.728 14.322 9.118 109 H GLY 13 H GLY 13 1.220 10.043 8.247 110 HA2 GLY 13 HA2 GLY 13 1.210 9.443 5.368 111 HA3 GLY 13 HA3 GLY 13 2.308 8.721 6.538 112 H LEU 14 H LEU 14 1.328 7.372 8.212 113 HA LEU 14 HA LEU 14 -1.156 6.073 7.352 114 HB2 LEU 14 HB2 LEU 14 1.382 4.582 8.018 115 HB3 LEU 14 HB3 LEU 14 -0.159 3.876 7.577 116 HG LEU 14 HG LEU 14 1.282 5.670 5.656 117 HD11 LEU 14 HD11 LEU 14 2.869 3.996 6.392 118 HD12 LEU 14 HD12 LEU 14 2.361 3.727 4.725 119 HD13 LEU 14 HD13 LEU 14 1.704 2.727 6.023 120 HD21 LEU 14 HD21 LEU 14 0.100 4.335 4.008 121 HD22 LEU 14 HD22 LEU 14 -1.030 5.043 5.163 122 HD23 LEU 14 HD23 LEU 14 -0.591 3.339 5.291 123 H TYR 15 H TYR 15 -2.268 5.064 8.964 124 HA TYR 15 HA TYR 15 -1.231 5.411 11.696 125 HB2 TYR 15 HB2 TYR 15 -4.067 5.433 10.662 126 HB3 TYR 15 HB3 TYR 15 -3.680 5.272 12.366 127 HD1 TYR 15 HD1 TYR 15 -1.228 7.362 11.888 128 HD2 TYR 15 HD2 TYR 15 -5.423 7.378 11.247 129 HE1 TYR 15 HE1 TYR 15 -1.254 9.803 12.142 130 HE2 TYR 15 HE2 TYR 15 -5.459 9.821 11.489 131 HH TYR 15 HH TYR 15 -4.104 11.578 12.560 132 H LYS 16 H LYS 16 -1.884 3.740 13.232 133 HA LYS 16 HA LYS 16 -2.706 1.201 11.994 134 HB2 LYS 16 HB2 LYS 16 -0.697 1.650 14.194 135 HB3 LYS 16 HB3 LYS 16 -1.506 0.107 13.968 136 HG2 LYS 16 HG2 LYS 16 -0.619 0.250 11.555 137 HG3 LYS 16 HG3 LYS 16 0.485 1.466 12.205 138 HD2 LYS 16 HD2 LYS 16 0.151 -1.327 13.300 139 HD3 LYS 16 HD3 LYS 16 1.440 -0.826 12.208 140 HE2 LYS 16 HE2 LYS 16 2.493 0.446 13.818 141 HE3 LYS 16 HE3 LYS 16 1.017 0.670 14.756 142 HZ1 LYS 16 HZ1 LYS 16 1.136 -1.598 15.483 143 HZ2 LYS 16 HZ2 LYS 16 2.604 -0.834 15.830 144 HZ3 LYS 16 HZ3 LYS 16 2.492 -1.897 14.514 145 H LEU 17 H LEU 17 -4.544 0.443 12.755 146 HA LEU 17 HA LEU 17 -5.994 1.734 14.823 147 HB2 LEU 17 HB2 LEU 17 -6.408 -0.823 13.309 148 HB3 LEU 17 HB3 LEU 17 -7.481 -0.354 14.610 149 HG LEU 17 HG LEU 17 -6.979 1.327 12.152 150 HD11 LEU 17 HD11 LEU 17 -8.051 -0.792 11.575 151 HD12 LEU 17 HD12 LEU 17 -9.156 0.571 11.397 152 HD13 LEU 17 HD13 LEU 17 -9.290 -0.496 12.798 153 HD21 LEU 17 HD21 LEU 17 -7.715 2.599 14.094 154 HD22 LEU 17 HD22 LEU 17 -9.064 1.488 14.327 155 HD23 LEU 17 HD23 LEU 17 -8.997 2.505 12.887 156 H ILE 18 H ILE 18 -5.586 1.595 16.899 157 HA ILE 18 HA ILE 18 -4.395 -0.824 18.033 158 HB ILE 18 HB ILE 18 -5.155 1.710 19.517 159 HG12 ILE 18 HG12 ILE 18 -2.403 1.064 18.436 160 HG13 ILE 18 HG13 ILE 18 -3.530 2.132 17.608 161 HG21 ILE 18 HG21 ILE 18 -4.785 -0.261 20.904 162 HG22 ILE 18 HG22 ILE 18 -3.494 0.916 21.145 163 HG23 ILE 18 HG23 ILE 18 -3.208 -0.515 20.153 164 HD11 ILE 18 HD11 ILE 18 -1.891 3.375 18.906 165 HD12 ILE 18 HD12 ILE 18 -2.426 2.555 20.375 166 HD13 ILE 18 HD13 ILE 18 -3.526 3.634 19.516 167 H SER 19 H SER 19 -7.136 1.352 18.601 168 HA SER 19 HA SER 19 -8.867 -0.848 19.297 169 HB2 SER 19 HB2 SER 19 -8.242 1.373 21.270 170 HB3 SER 19 HB3 SER 19 -9.535 0.189 21.457 171 HG SER 19 HG SER 19 -7.227 -1.084 20.978 172 H GLN 20 H GLN 20 -10.828 -0.395 18.490 173 HA GLN 20 HA GLN 20 -11.293 2.288 17.446 174 HB2 GLN 20 HB2 GLN 20 -12.751 -0.324 17.032 175 HB3 GLN 20 HB3 GLN 20 -13.298 1.211 16.369 176 HG2 GLN 20 HG2 GLN 20 -11.203 1.416 15.123 177 HG3 GLN 20 HG3 GLN 20 -10.679 -0.141 15.760 178 HE21 GLN 20 HE21 GLN 20 -11.212 0.833 13.013 179 HE22 GLN 20 HE22 GLN 20 -12.344 -0.285 12.334 180 H GLY 21 H GLY 21 -12.919 3.629 18.093 181 HA2 GLY 21 HA2 GLY 21 -14.456 2.751 20.454 182 HA3 GLY 21 HA3 GLY 21 -13.786 4.367 20.291 183 H LYS 22 H LYS 22 -16.073 4.930 20.744 184 HA LYS 22 HA LYS 22 -17.846 4.646 18.467 185 HB2 LYS 22 HB2 LYS 22 -19.400 6.088 19.931 186 HB3 LYS 22 HB3 LYS 22 -19.062 4.451 20.453 187 HG2 LYS 22 HG2 LYS 22 -18.881 5.559 22.434 188 HG3 LYS 22 HG3 LYS 22 -17.203 5.639 21.894 189 HD2 LYS 22 HD2 LYS 22 -17.642 7.897 20.986 190 HD3 LYS 22 HD3 LYS 22 -19.286 7.808 21.618 191 HE2 LYS 22 HE2 LYS 22 -18.473 7.694 23.870 192 HE3 LYS 22 HE3 LYS 22 -16.806 7.570 23.307 193 HZ1 LYS 22 HZ1 LYS 22 -16.924 9.795 22.463 194 HZ2 LYS 22 HZ2 LYS 22 -17.414 9.804 24.085 195 HZ3 LYS 22 HZ3 LYS 22 -18.568 9.911 22.852 196 H ASN 23 H ASN 23 -18.085 6.018 16.892 197 HA ASN 23 HA ASN 23 -18.158 7.877 15.606 198 HB2 ASN 23 HB2 ASN 23 -18.946 9.129 17.584 199 HB3 ASN 23 HB3 ASN 23 -17.281 9.450 18.037 200 HD21 ASN 23 HD21 ASN 23 -17.426 11.652 17.912 201 HD22 ASN 23 HD22 ASN 23 -17.674 12.504 16.428 202 H MET 24 H MET 24 -15.292 7.772 17.664 203 HA MET 24 HA MET 24 -13.630 8.302 15.303 204 HB2 MET 24 HB2 MET 24 -11.942 9.219 17.016 205 HB3 MET 24 HB3 MET 24 -13.306 10.228 16.570 206 HG2 MET 24 HG2 MET 24 -13.833 10.449 18.696 207 HG3 MET 24 HG3 MET 24 -14.083 8.713 18.825 208 HE1 MET 24 HE1 MET 24 -12.790 7.260 20.374 209 HE2 MET 24 HE2 MET 24 -11.045 7.381 20.602 210 HE3 MET 24 HE3 MET 24 -11.707 7.106 18.989 211 H LEU 25 H LEU 25 -11.290 7.576 15.781 212 HA LEU 25 HA LEU 25 -11.353 4.859 16.945 213 HB2 LEU 25 HB2 LEU 25 -9.564 5.855 14.704 214 HB3 LEU 25 HB3 LEU 25 -9.584 4.239 15.358 215 HG LEU 25 HG LEU 25 -10.652 3.956 13.350 216 HD11 LEU 25 HD11 LEU 25 -12.066 3.026 15.044 217 HD12 LEU 25 HD12 LEU 25 -13.039 3.654 13.713 218 HD13 LEU 25 HD13 LEU 25 -12.910 4.564 15.220 219 HD21 LEU 25 HD21 LEU 25 -12.081 6.573 13.731 220 HD22 LEU 25 HD22 LEU 25 -12.293 5.480 12.363 221 HD23 LEU 25 HD23 LEU 25 -10.732 6.253 12.642 222 H ILE 26 H ILE 26 -9.324 4.169 17.973 223 HA ILE 26 HA ILE 26 -7.493 6.386 18.589 224 HB ILE 26 HB ILE 26 -7.959 3.796 20.113 225 HG12 ILE 26 HG12 ILE 26 -9.611 5.574 20.563 226 HG13 ILE 26 HG13 ILE 26 -8.613 5.248 21.974 227 HG21 ILE 26 HG21 ILE 26 -5.569 4.271 20.073 228 HG22 ILE 26 HG22 ILE 26 -6.230 4.532 21.687 229 HG23 ILE 26 HG23 ILE 26 -5.869 5.913 20.650 230 HD11 ILE 26 HD11 ILE 26 -8.299 7.569 20.080 231 HD12 ILE 26 HD12 ILE 26 -7.292 7.253 21.492 232 HD13 ILE 26 HD13 ILE 26 -9.003 7.630 21.695 233 H VAL 27 H VAL 27 -5.773 6.383 17.366 234 HA VAL 27 HA VAL 27 -4.677 3.830 16.411 235 HB VAL 27 HB VAL 27 -3.979 4.998 14.305 236 HG11 VAL 27 HG11 VAL 27 -5.939 3.567 14.294 237 HG12 VAL 27 HG12 VAL 27 -6.169 4.948 13.219 238 HG13 VAL 27 HG13 VAL 27 -6.948 4.921 14.802 239 HG21 VAL 27 HG21 VAL 27 -5.093 7.084 13.684 240 HG22 VAL 27 HG22 VAL 27 -4.079 7.290 15.111 241 HG23 VAL 27 HG23 VAL 27 -5.829 7.165 15.285 242 H GLU 28 H GLU 28 -2.394 3.986 15.787 243 HA GLU 28 HA GLU 28 -0.964 6.255 16.983 244 HB2 GLU 28 HB2 GLU 28 0.992 4.712 17.114 245 HB3 GLU 28 HB3 GLU 28 -0.359 4.178 18.107 246 HG2 GLU 28 HG2 GLU 28 -0.989 2.582 16.315 247 HG3 GLU 28 HG3 GLU 28 0.438 3.078 15.414 248 H THR 29 H THR 29 0.487 7.329 15.639 249 HA THR 29 HA THR 29 0.317 6.773 12.816 250 HB THR 29 HB THR 29 2.326 8.654 14.033 251 HG1 THR 29 HG1 THR 29 -0.326 8.775 14.400 252 HG21 THR 29 HG21 THR 29 2.370 8.301 11.606 253 HG22 THR 29 HG22 THR 29 1.881 9.948 12.004 254 HG23 THR 29 HG23 THR 29 0.671 8.766 11.509 255 H VAL 30 H VAL 30 1.570 5.366 11.808 256 HA VAL 30 HA VAL 30 3.956 4.365 13.154 257 HB VAL 30 HB VAL 30 2.183 2.840 12.240 258 HG11 VAL 30 HG11 VAL 30 3.242 3.655 9.553 259 HG12 VAL 30 HG12 VAL 30 1.627 3.956 10.194 260 HG13 VAL 30 HG13 VAL 30 2.150 2.304 9.860 261 HG21 VAL 30 HG21 VAL 30 4.341 1.926 12.766 262 HG22 VAL 30 HG22 VAL 30 4.973 2.406 11.191 263 HG23 VAL 30 HG23 VAL 30 3.723 1.167 11.296 264 H ASP 31 H ASP 31 3.531 7.010 11.719 265 HA ASP 31 HA ASP 31 5.870 6.972 9.944 266 HB2 ASP 31 HB2 ASP 31 3.868 7.122 8.575 267 HB3 ASP 31 HB3 ASP 31 3.234 8.419 9.568 268 H ALA 32 H ALA 32 7.287 8.596 10.204 269 HA ALA 32 HA ALA 32 8.364 10.442 10.824 270 HB1 ALA 32 HB1 ALA 32 7.208 12.527 11.112 271 HB2 ALA 32 HB2 ALA 32 5.689 11.682 11.403 272 HB3 ALA 32 HB3 ALA 32 6.447 11.601 9.814 273 H ALA 33 H ALA 33 5.823 11.086 13.221 274 HA ALA 33 HA ALA 33 7.934 11.264 15.226 275 HB1 ALA 33 HB1 ALA 33 6.357 13.126 14.956 276 HB2 ALA 33 HB2 ALA 33 6.295 12.446 16.582 277 HB3 ALA 33 HB3 ALA 33 5.027 12.062 15.415 278 H LYS 34 H LYS 34 5.561 9.050 14.277 279 HA LYS 34 HA LYS 34 4.565 7.200 15.133 280 HB2 LYS 34 HB2 LYS 34 6.913 7.134 17.045 281 HB3 LYS 34 HB3 LYS 34 5.852 5.789 16.659 282 HG2 LYS 34 HG2 LYS 34 6.660 5.836 14.340 283 HG3 LYS 34 HG3 LYS 34 7.740 7.169 14.758 284 HD2 LYS 34 HD2 LYS 34 8.695 5.625 16.540 285 HD3 LYS 34 HD3 LYS 34 7.815 4.326 15.735 286 HE2 LYS 34 HE2 LYS 34 9.886 6.106 14.457 287 HE3 LYS 34 HE3 LYS 34 10.155 4.454 15.005 288 HZ1 LYS 34 HZ1 LYS 34 9.785 4.592 12.617 289 HZ2 LYS 34 HZ2 LYS 34 8.254 5.262 12.872 290 HZ3 LYS 34 HZ3 LYS 34 8.574 3.674 13.368 291 H LYS 35 H LYS 35 3.208 9.231 15.942 292 HA LYS 35 HA LYS 35 3.079 9.331 18.866 293 HB2 LYS 35 HB2 LYS 35 1.707 11.411 18.435 294 HB3 LYS 35 HB3 LYS 35 3.387 11.501 17.950 295 HG2 LYS 35 HG2 LYS 35 2.747 11.094 15.619 296 HG3 LYS 35 HG3 LYS 35 1.059 10.994 16.107 297 HD2 LYS 35 HD2 LYS 35 2.794 13.424 16.509 298 HD3 LYS 35 HD3 LYS 35 1.716 13.194 15.133 299 HE2 LYS 35 HE2 LYS 35 -0.184 13.010 16.686 300 HE3 LYS 35 HE3 LYS 35 0.909 13.301 18.038 301 HZ1 LYS 35 HZ1 LYS 35 -0.242 15.314 17.383 302 HZ2 LYS 35 HZ2 LYS 35 0.369 15.190 15.809 303 HZ3 LYS 35 HZ3 LYS 35 1.421 15.469 17.106 304 H ARG 36 H ARG 36 1.141 9.063 19.986 305 HA ARG 36 HA ARG 36 -0.883 7.466 18.662 306 HB2 ARG 36 HB2 ARG 36 -0.009 7.068 20.993 307 HB3 ARG 36 HB3 ARG 36 -0.851 8.521 21.493 308 HG2 ARG 36 HG2 ARG 36 -2.984 7.487 20.813 309 HG3 ARG 36 HG3 ARG 36 -2.108 6.005 20.413 310 HD2 ARG 36 HD2 ARG 36 -1.312 5.874 22.742 311 HD3 ARG 36 HD3 ARG 36 -2.232 7.326 23.125 312 HE ARG 36 HE ARG 36 -3.538 4.848 22.201 313 HH11 ARG 36 HH11 ARG 36 -3.291 7.505 24.477 314 HH12 ARG 36 HH12 ARG 36 -4.681 7.023 25.392 315 HH21 ARG 36 HH21 ARG 36 -5.363 4.196 23.413 316 HH22 ARG 36 HH22 ARG 36 -5.857 5.132 24.789 317 H VAL 37 H VAL 37 -2.572 8.314 17.653 318 HA VAL 37 HA VAL 37 -3.516 11.033 18.340 319 HB VAL 37 HB VAL 37 -3.512 9.948 15.502 320 HG11 VAL 37 HG11 VAL 37 -4.984 11.841 15.919 321 HG12 VAL 37 HG12 VAL 37 -3.661 12.276 14.836 322 HG13 VAL 37 HG13 VAL 37 -3.615 12.776 16.526 323 HG21 VAL 37 HG21 VAL 37 -1.185 9.986 16.203 324 HG22 VAL 37 HG22 VAL 37 -1.354 11.672 16.694 325 HG23 VAL 37 HG23 VAL 37 -1.514 11.227 14.995 326 HA PRO 38 HA PRO 38 -7.575 8.918 17.854 327 HB2 PRO 38 HB2 PRO 38 -8.793 11.564 17.830 328 HB3 PRO 38 HB3 PRO 38 -8.997 10.249 18.990 329 HG2 PRO 38 HG2 PRO 38 -7.705 12.540 19.610 330 HG3 PRO 38 HG3 PRO 38 -7.275 10.975 20.323 331 HD2 PRO 38 HD2 PRO 38 -5.956 12.460 18.080 332 HD3 PRO 38 HD3 PRO 38 -5.216 11.593 19.443 333 H ALA 39 H ALA 39 -8.453 8.311 15.997 334 HA ALA 39 HA ALA 39 -8.059 9.958 13.596 335 HB1 ALA 39 HB1 ALA 39 -8.775 7.037 13.793 336 HB2 ALA 39 HB2 ALA 39 -7.165 7.685 13.475 337 HB3 ALA 39 HB3 ALA 39 -8.462 7.934 12.307 338 H TYR 40 H TYR 40 -9.823 10.292 12.118 339 HA TYR 40 HA TYR 40 -12.460 9.958 13.390 340 HB2 TYR 40 HB2 TYR 40 -11.569 12.433 11.887 341 HB3 TYR 40 HB3 TYR 40 -13.120 12.186 12.675 342 HD1 TYR 40 HD1 TYR 40 -13.079 11.824 15.242 343 HD2 TYR 40 HD2 TYR 40 -9.824 13.453 13.041 344 HE1 TYR 40 HE1 TYR 40 -12.170 12.798 17.307 345 HE2 TYR 40 HE2 TYR 40 -8.911 14.428 15.100 346 HH TYR 40 HH TYR 40 -9.819 15.160 17.343 347 H ALA 41 H ALA 41 -14.188 9.560 12.023 348 HA ALA 41 HA ALA 41 -13.386 8.519 9.430 349 HB1 ALA 41 HB1 ALA 41 -15.488 7.327 9.427 350 HB2 ALA 41 HB2 ALA 41 -16.008 8.199 10.868 351 HB3 ALA 41 HB3 ALA 41 -14.651 7.076 10.959 352 H HIS 42 H HIS 42 -13.111 10.499 8.412 353 HA HIS 42 HA HIS 42 -15.275 11.323 6.792 354 HB2 HIS 42 HB2 HIS 42 -15.795 12.675 8.872 355 HB3 HIS 42 HB3 HIS 42 -14.251 13.492 8.660 356 HD1 HIS 42 HD1 HIS 42 -14.250 15.509 7.187 357 HD2 HIS 42 HD2 HIS 42 -17.642 13.169 6.645 358 HE1 HIS 42 HE1 HIS 42 -15.748 16.835 5.670 359 HE2 HIS 42 HE2 HIS 42 -17.774 15.391 5.306 360 H ASP 43 H ASP 43 -12.040 11.636 8.020 361 HA ASP 43 HA ASP 43 -10.958 13.048 5.765 362 HB2 ASP 43 HB2 ASP 43 -10.010 12.847 8.197 363 HB3 ASP 43 HB3 ASP 43 -9.333 11.325 7.641 364 H LYS 44 H LYS 44 -8.932 11.761 4.680 365 HA LYS 44 HA LYS 44 -10.128 9.569 3.231 366 HB2 LYS 44 HB2 LYS 44 -8.354 11.541 2.583 367 HB3 LYS 44 HB3 LYS 44 -7.271 10.183 2.819 368 HG2 LYS 44 HG2 LYS 44 -9.613 10.231 0.929 369 HG3 LYS 44 HG3 LYS 44 -7.926 10.481 0.484 370 HD2 LYS 44 HD2 LYS 44 -7.401 8.224 1.286 371 HD3 LYS 44 HD3 LYS 44 -9.104 7.981 1.679 372 HE2 LYS 44 HE2 LYS 44 -7.948 8.499 -1.056 373 HE3 LYS 44 HE3 LYS 44 -8.584 6.966 -0.461 374 HZ1 LYS 44 HZ1 LYS 44 -10.766 8.061 -0.227 375 HZ2 LYS 44 HZ2 LYS 44 -10.215 8.030 -1.824 376 HZ3 LYS 44 HZ3 LYS 44 -10.125 9.462 -0.931 377 H VAL 45 H VAL 45 -10.345 7.982 4.781 378 HA VAL 45 HA VAL 45 -7.859 6.756 5.778 379 HB VAL 45 HB VAL 45 -10.592 6.519 7.075 380 HG11 VAL 45 HG11 VAL 45 -7.833 5.825 8.060 381 HG12 VAL 45 HG12 VAL 45 -9.094 4.692 7.572 382 HG13 VAL 45 HG13 VAL 45 -9.317 5.697 9.005 383 HG21 VAL 45 HG21 VAL 45 -9.829 8.063 8.814 384 HG22 VAL 45 HG22 VAL 45 -9.878 8.856 7.239 385 HG23 VAL 45 HG23 VAL 45 -8.334 8.341 7.921 386 H ILE 46 H ILE 46 -7.487 5.176 4.365 387 HA ILE 46 HA ILE 46 -9.603 3.174 3.879 388 HB ILE 46 HB ILE 46 -7.570 4.229 1.879 389 HG12 ILE 46 HG12 ILE 46 -9.564 5.626 2.006 390 HG13 ILE 46 HG13 ILE 46 -9.509 4.771 0.471 391 HG21 ILE 46 HG21 ILE 46 -9.440 1.896 1.509 392 HG22 ILE 46 HG22 ILE 46 -7.683 1.816 1.655 393 HG23 ILE 46 HG23 ILE 46 -8.418 2.612 0.261 394 HD11 ILE 46 HD11 ILE 46 -11.236 4.076 2.840 395 HD12 ILE 46 HD12 ILE 46 -11.170 3.170 1.328 396 HD13 ILE 46 HD13 ILE 46 -11.767 4.830 1.336 397 H SER 47 H SER 47 -8.952 1.159 4.509 398 HA SER 47 HA SER 47 -6.460 0.708 5.740 399 HB2 SER 47 HB2 SER 47 -8.386 -1.342 4.615 400 HB3 SER 47 HB3 SER 47 -7.130 -1.648 5.816 401 HG SER 47 HG SER 47 -8.691 0.396 6.614 402 H LEU 48 H LEU 48 -4.525 0.017 4.989 403 HA LEU 48 HA LEU 48 -3.970 0.026 2.187 404 HB2 LEU 48 HB2 LEU 48 -2.431 0.772 4.059 405 HB3 LEU 48 HB3 LEU 48 -2.172 -0.919 4.429 406 HG LEU 48 HG LEU 48 -1.590 -0.142 1.632 407 HD11 LEU 48 HD11 LEU 48 0.106 0.783 3.944 408 HD12 LEU 48 HD12 LEU 48 -0.789 1.821 2.830 409 HD13 LEU 48 HD13 LEU 48 0.558 0.846 2.240 410 HD21 LEU 48 HD21 LEU 48 -1.125 -2.390 2.500 411 HD22 LEU 48 HD22 LEU 48 -0.073 -1.693 3.733 412 HD23 LEU 48 HD23 LEU 48 0.360 -1.564 2.028 413 H ALA 49 H ALA 49 -4.783 -2.394 4.494 414 HA ALA 49 HA ALA 49 -3.938 -4.709 3.101 415 HB1 ALA 49 HB1 ALA 49 -6.125 -4.410 5.143 416 HB2 ALA 49 HB2 ALA 49 -4.417 -4.677 5.489 417 HB3 ALA 49 HB3 ALA 49 -5.348 -5.917 4.651 418 H ASP 50 H ASP 50 -6.578 -2.549 2.616 419 HA ASP 50 HA ASP 50 -8.540 -4.386 1.645 420 HB2 ASP 50 HB2 ASP 50 -9.206 -2.279 2.671 421 HB3 ASP 50 HB3 ASP 50 -8.348 -1.369 1.439 422 H ILE 51 H ILE 51 -6.122 -2.310 0.126 423 HA ILE 51 HA ILE 51 -7.109 -2.581 -2.534 424 HB ILE 51 HB ILE 51 -4.289 -1.816 -1.678 425 HG12 ILE 51 HG12 ILE 51 -5.379 0.527 -2.463 426 HG13 ILE 51 HG13 ILE 51 -6.816 -0.251 -1.816 427 HG21 ILE 51 HG21 ILE 51 -4.398 -2.457 -4.022 428 HG22 ILE 51 HG22 ILE 51 -4.135 -0.720 -3.865 429 HG23 ILE 51 HG23 ILE 51 -5.734 -1.335 -4.283 430 HD11 ILE 51 HD11 ILE 51 -5.739 1.173 -0.171 431 HD12 ILE 51 HD12 ILE 51 -4.253 0.234 -0.309 432 HD13 ILE 51 HD13 ILE 51 -5.714 -0.516 0.338 433 H ALA 52 H ALA 52 -6.764 -4.116 -4.010 434 HA ALA 52 HA ALA 52 -4.656 -6.112 -3.580 435 HB1 ALA 52 HB1 ALA 52 -6.189 -7.907 -4.233 436 HB2 ALA 52 HB2 ALA 52 -7.514 -6.745 -4.331 437 HB3 ALA 52 HB3 ALA 52 -6.751 -7.086 -2.778 438 H MET 53 H MET 53 -4.019 -7.213 -5.499 439 HA MET 53 HA MET 53 -4.616 -5.770 -7.992 440 HB2 MET 53 HB2 MET 53 -1.995 -6.532 -6.787 441 HB3 MET 53 HB3 MET 53 -2.155 -6.674 -8.531 442 HG2 MET 53 HG2 MET 53 -1.215 -4.564 -8.095 443 HG3 MET 53 HG3 MET 53 -2.888 -4.285 -8.566 444 HE1 MET 53 HE1 MET 53 -1.255 -2.013 -7.296 445 HE2 MET 53 HE2 MET 53 -2.371 -1.394 -6.078 446 HE3 MET 53 HE3 MET 53 -2.976 -1.879 -7.663 447 H TYR 54 H TYR 54 -3.863 -7.158 -9.923 448 HA TYR 54 HA TYR 54 -4.458 -9.988 -9.430 449 HB2 TYR 54 HB2 TYR 54 -5.741 -8.240 -11.534 450 HB3 TYR 54 HB3 TYR 54 -5.832 -9.995 -11.531 451 HD1 TYR 54 HD2 TYR 54 -7.009 -11.149 -9.633 452 HD2 TYR 54 HD1 TYR 54 -7.197 -6.932 -10.206 453 HE1 TYR 54 HE2 TYR 54 -8.998 -11.047 -8.198 454 HE2 TYR 54 HE1 TYR 54 -9.188 -6.825 -8.764 455 HH TYR 54 HH TYR 54 -10.184 -9.452 -6.818 456 H THR 55 H THR 55 -3.073 -11.294 -10.336 457 HA THR 55 HA THR 55 -1.486 -10.386 -12.625 458 HB THR 55 HB THR 55 -0.277 -11.382 -10.674 459 HG1 THR 55 HG1 THR 55 1.093 -12.638 -11.904 460 HG21 THR 55 HG21 THR 55 -1.648 -13.940 -11.464 461 HG22 THR 55 HG22 THR 55 -1.871 -13.048 -9.957 462 HG23 THR 55 HG23 THR 55 -0.315 -13.796 -10.316 463 H ASP 56 H ASP 56 -1.186 -13.161 -13.755 464 HA ASP 56 HA ASP 56 -3.450 -13.259 -15.415 465 HB2 ASP 56 HB2 ASP 56 -1.263 -14.131 -16.090 466 HB3 ASP 56 HB3 ASP 56 -1.343 -15.357 -14.833 467 H ALA 57 H ALA 57 -2.500 -15.646 -12.858 468 HA ALA 57 HA ALA 57 -5.339 -15.665 -12.101 469 HB1 ALA 57 HB1 ALA 57 -4.915 -17.633 -13.494 470 HB2 ALA 57 HB2 ALA 57 -5.317 -18.078 -11.838 471 HB3 ALA 57 HB3 ALA 57 -3.642 -18.150 -12.387 472 H GLU 58 H GLU 58 -4.608 -14.233 -10.417 473 HA GLU 58 HA GLU 58 -4.543 -15.557 -7.925 474 HB2 GLU 58 HB2 GLU 58 -1.941 -14.390 -8.789 475 HB3 GLU 58 HB3 GLU 58 -2.484 -13.964 -7.175 476 HG2 GLU 58 HG2 GLU 58 -1.994 -16.733 -8.234 477 HG3 GLU 58 HG3 GLU 58 -0.979 -15.854 -7.098 478 H GLU 59 H GLU 59 -5.456 -14.270 -6.418 479 HA GLU 59 HA GLU 59 -5.605 -11.375 -6.952 480 HB2 GLU 59 HB2 GLU 59 -7.754 -12.560 -6.545 481 HB3 GLU 59 HB3 GLU 59 -7.169 -13.036 -4.959 482 HG2 GLU 59 HG2 GLU 59 -7.054 -10.675 -4.297 483 HG3 GLU 59 HG3 GLU 59 -7.636 -10.208 -5.895 484 H VAL 60 H VAL 60 -4.028 -10.273 -6.013 485 HA VAL 60 HA VAL 60 -2.818 -11.398 -3.585 486 HB VAL 60 HB VAL 60 -1.324 -11.913 -5.361 487 HG11 VAL 60 HG11 VAL 60 -1.493 -9.045 -6.266 488 HG12 VAL 60 HG12 VAL 60 -2.161 -10.454 -7.090 489 HG13 VAL 60 HG13 VAL 60 -0.414 -10.269 -6.937 490 HG21 VAL 60 HG21 VAL 60 0.703 -10.629 -4.837 491 HG22 VAL 60 HG22 VAL 60 -0.178 -11.126 -3.393 492 HG23 VAL 60 HG23 VAL 60 -0.284 -9.459 -3.960 493 HA PRO 61 HA PRO 61 -3.896 -7.454 -1.684 494 HB2 PRO 61 HB2 PRO 61 -1.749 -8.280 0.192 495 HB3 PRO 61 HB3 PRO 61 -3.417 -7.809 0.522 496 HG2 PRO 61 HG2 PRO 61 -2.605 -10.354 0.660 497 HG3 PRO 61 HG3 PRO 61 -4.234 -9.916 0.110 498 HD2 PRO 61 HD2 PRO 61 -1.883 -10.842 -1.444 499 HD3 PRO 61 HD3 PRO 61 -3.611 -11.103 -1.746 500 H LEU 62 H LEU 62 -2.937 -5.455 -1.172 501 HA LEU 62 HA LEU 62 -1.010 -4.544 -2.980 502 HB2 LEU 62 HB2 LEU 62 -2.783 -3.158 -1.863 503 HB3 LEU 62 HB3 LEU 62 -1.799 -3.168 -0.413 504 HG LEU 62 HG LEU 62 0.005 -2.009 -1.637 505 HD11 LEU 62 HD11 LEU 62 -0.421 -1.119 -3.854 506 HD12 LEU 62 HD12 LEU 62 -1.984 -1.937 -3.893 507 HD13 LEU 62 HD13 LEU 62 -0.494 -2.880 -3.853 508 HD21 LEU 62 HD21 LEU 62 -2.674 -0.660 -1.865 509 HD22 LEU 62 HD22 LEU 62 -1.105 0.141 -1.955 510 HD23 LEU 62 HD23 LEU 62 -1.609 -0.646 -0.456 511 H SER 63 H SER 63 -0.720 -5.238 0.465 512 HA SER 63 HA SER 63 1.836 -4.420 0.987 513 HB2 SER 63 HB2 SER 63 0.619 -6.939 2.091 514 HB3 SER 63 HB3 SER 63 1.731 -5.825 2.888 515 HG SER 63 HG SER 63 -0.795 -5.745 3.142 516 H GLU 64 H GLU 64 0.866 -7.487 -0.540 517 HA GLU 64 HA GLU 64 3.491 -8.606 -0.353 518 HB2 GLU 64 HB2 GLU 64 1.059 -9.479 -1.897 519 HB3 GLU 64 HB3 GLU 64 2.565 -10.388 -1.848 520 HG2 GLU 64 HG2 GLU 64 2.316 -10.437 0.660 521 HG3 GLU 64 HG3 GLU 64 0.693 -9.796 0.430 522 H VAL 65 H VAL 65 1.656 -6.965 -2.928 523 HA VAL 65 HA VAL 65 3.750 -7.414 -4.863 524 HB VAL 65 HB VAL 65 2.448 -5.860 -6.348 525 HG11 VAL 65 HG11 VAL 65 0.995 -8.215 -5.171 526 HG12 VAL 65 HG12 VAL 65 2.196 -8.261 -6.461 527 HG13 VAL 65 HG13 VAL 65 0.643 -7.467 -6.729 528 HG21 VAL 65 HG21 VAL 65 0.146 -5.313 -5.732 529 HG22 VAL 65 HG22 VAL 65 1.296 -4.529 -4.647 530 HG23 VAL 65 HG23 VAL 65 0.416 -5.963 -4.117 531 H LEU 66 H LEU 66 2.944 -4.923 -2.616 532 HA LEU 66 HA LEU 66 4.639 -2.851 -3.586 533 HB2 LEU 66 HB2 LEU 66 2.770 -2.444 -2.108 534 HB3 LEU 66 HB3 LEU 66 3.463 -3.467 -0.874 535 HG LEU 66 HG LEU 66 5.276 -1.777 -0.588 536 HD11 LEU 66 HD11 LEU 66 4.896 0.460 -1.504 537 HD12 LEU 66 HD12 LEU 66 3.529 -0.160 -2.432 538 HD13 LEU 66 HD13 LEU 66 5.162 -0.729 -2.778 539 HD21 LEU 66 HD21 LEU 66 3.807 -0.162 0.573 540 HD22 LEU 66 HD22 LEU 66 3.382 -1.843 0.900 541 HD23 LEU 66 HD23 LEU 66 2.413 -0.895 -0.232 542 H GLU 67 H GLU 67 5.091 -5.634 -1.494 543 HA GLU 67 HA GLU 67 7.738 -5.008 -0.640 544 HB2 GLU 67 HB2 GLU 67 5.929 -6.763 0.230 545 HB3 GLU 67 HB3 GLU 67 6.791 -7.830 -0.864 546 HG2 GLU 67 HG2 GLU 67 8.312 -6.243 1.145 547 HG3 GLU 67 HG3 GLU 67 7.441 -7.684 1.650 548 H ALA 68 H ALA 68 6.308 -6.781 -3.325 549 HA ALA 68 HA ALA 68 8.637 -8.045 -4.290 550 HB1 ALA 68 HB1 ALA 68 6.379 -8.804 -4.825 551 HB2 ALA 68 HB2 ALA 68 7.337 -8.527 -6.282 552 HB3 ALA 68 HB3 ALA 68 6.117 -7.350 -5.788 553 H VAL 69 H VAL 69 6.982 -5.061 -5.427 554 HA VAL 69 HA VAL 69 8.885 -4.540 -7.466 555 HB VAL 69 HB VAL 69 7.931 -2.198 -7.524 556 HG11 VAL 69 HG11 VAL 69 7.096 -3.940 -8.974 557 HG12 VAL 69 HG12 VAL 69 5.768 -2.912 -8.432 558 HG13 VAL 69 HG13 VAL 69 6.006 -4.504 -7.710 559 HG21 VAL 69 HG21 VAL 69 6.047 -3.301 -5.437 560 HG22 VAL 69 HG22 VAL 69 5.838 -1.786 -6.316 561 HG23 VAL 69 HG23 VAL 69 7.197 -1.982 -5.210 562 H LYS 70 H LYS 70 8.728 -3.574 -4.097 563 HA LYS 70 HA LYS 70 10.914 -1.773 -4.124 564 HB2 LYS 70 HB2 LYS 70 9.422 -1.621 -2.324 565 HB3 LYS 70 HB3 LYS 70 9.514 -3.343 -1.979 566 HG2 LYS 70 HG2 LYS 70 11.999 -2.795 -1.428 567 HG3 LYS 70 HG3 LYS 70 11.389 -1.147 -1.273 568 HD2 LYS 70 HD2 LYS 70 11.369 -2.235 0.886 569 HD3 LYS 70 HD3 LYS 70 9.717 -1.939 0.346 570 HE2 LYS 70 HE2 LYS 70 9.954 -4.172 1.349 571 HE3 LYS 70 HE3 LYS 70 9.496 -4.260 -0.349 572 HZ1 LYS 70 HZ1 LYS 70 11.847 -4.679 -0.880 573 HZ2 LYS 70 HZ2 LYS 70 11.168 -5.884 0.101 574 HZ3 LYS 70 HZ3 LYS 70 12.208 -4.719 0.777 575 H LYS 71 H LYS 71 10.664 -5.231 -3.606 576 HA LYS 71 HA LYS 71 13.236 -5.816 -2.725 577 HB2 LYS 71 HB2 LYS 71 11.181 -7.263 -2.641 578 HB3 LYS 71 HB3 LYS 71 11.437 -7.619 -4.340 579 HG2 LYS 71 HG2 LYS 71 12.267 -9.432 -3.031 580 HG3 LYS 71 HG3 LYS 71 13.638 -8.593 -3.757 581 HD2 LYS 71 HD2 LYS 71 14.031 -7.419 -1.641 582 HD3 LYS 71 HD3 LYS 71 12.661 -8.269 -0.917 583 HE2 LYS 71 HE2 LYS 71 13.801 -10.412 -1.428 584 HE3 LYS 71 HE3 LYS 71 15.199 -9.495 -1.981 585 HZ1 LYS 71 HZ1 LYS 71 15.474 -10.242 0.289 586 HZ2 LYS 71 HZ2 LYS 71 14.059 -9.442 0.759 587 HZ3 LYS 71 HZ3 LYS 71 15.400 -8.552 0.234 588 H LYS 72 H LYS 72 12.127 -5.212 -6.025 589 HA LYS 72 HA LYS 72 14.367 -6.378 -7.346 590 HB2 LYS 72 HB2 LYS 72 12.145 -5.646 -8.397 591 HB3 LYS 72 HB3 LYS 72 12.818 -4.022 -8.400 592 HG2 LYS 72 HG2 LYS 72 13.101 -5.095 -10.568 593 HG3 LYS 72 HG3 LYS 72 14.661 -4.769 -9.812 594 HD2 LYS 72 HD2 LYS 72 14.827 -7.099 -9.110 595 HD3 LYS 72 HD3 LYS 72 13.235 -7.433 -9.788 596 HE2 LYS 72 HE2 LYS 72 15.564 -6.442 -11.425 597 HE3 LYS 72 HE3 LYS 72 15.192 -8.151 -11.202 598 HZ1 LYS 72 HZ1 LYS 72 13.462 -6.108 -12.500 599 HZ2 LYS 72 HZ2 LYS 72 12.970 -7.694 -12.157 600 HZ3 LYS 72 HZ3 LYS 72 14.239 -7.418 -13.246 601 H GLU 73 H GLU 73 13.760 -3.172 -6.001 602 HA GLU 73 HA GLU 73 16.541 -2.442 -6.540 603 HB2 GLU 73 HB2 GLU 73 15.825 -0.155 -5.764 604 HB3 GLU 73 HB3 GLU 73 15.074 -0.718 -7.242 605 HG2 GLU 73 HG2 GLU 73 13.205 0.050 -6.297 606 HG3 GLU 73 HG3 GLU 73 13.224 -1.477 -5.421 607 H ASN 74 H ASN 74 15.502 -4.381 -4.580 608 HA ASN 74 HA ASN 74 15.885 -5.254 -2.584 609 HB2 ASN 74 HB2 ASN 74 18.216 -4.475 -2.884 610 HB3 ASN 74 HB3 ASN 74 17.806 -2.986 -2.044 611 HD21 ASN 74 HD21 ASN 74 17.750 -2.973 0.161 612 HD22 ASN 74 HD22 ASN 74 18.138 -4.352 1.134 613 H GLY 75 H GLY 75 16.290 -1.965 -1.320 614 HA2 GLY 75 HA2 GLY 75 13.583 -1.330 -1.056 615 HA3 GLY 75 HA3 GLY 75 14.166 -2.051 0.446 616 H ALA 76 H ALA 76 14.681 0.565 -1.862 617 HA ALA 76 HA ALA 76 16.614 1.782 0.007 618 HB1 ALA 76 HB1 ALA 76 16.402 2.043 -2.985 619 HB2 ALA 76 HB2 ALA 76 17.565 1.061 -2.097 620 HB3 ALA 76 HB3 ALA 76 17.621 2.819 -1.968 621 H VAL 77 H VAL 77 13.733 2.187 0.112 622 HA VAL 77 HA VAL 77 12.220 3.775 0.580 623 HB VAL 77 HB VAL 77 14.428 5.847 0.584 624 HG11 VAL 77 HG11 VAL 77 13.022 6.960 2.259 625 HG12 VAL 77 HG12 VAL 77 11.826 5.672 2.106 626 HG13 VAL 77 HG13 VAL 77 12.157 6.733 0.737 627 HG21 VAL 77 HG21 VAL 77 15.159 3.969 1.972 628 HG22 VAL 77 HG22 VAL 77 13.633 4.017 2.855 629 HG23 VAL 77 HG23 VAL 77 14.760 5.369 2.968 630 H ALA 78 H ALA 78 11.311 3.414 -1.394 631 HA ALA 78 HA ALA 78 10.087 4.023 -3.148 632 HB1 ALA 78 HB1 ALA 78 9.778 6.160 -2.015 633 HB2 ALA 78 HB2 ALA 78 9.724 6.291 -3.773 634 HB3 ALA 78 HB3 ALA 78 11.162 6.815 -2.891 635 H SER 79 H SER 79 12.888 6.132 -3.853 636 HA SER 79 HA SER 79 14.272 6.321 -5.619 637 HB2 SER 79 HB2 SER 79 13.543 3.455 -6.266 638 HB3 SER 79 HB3 SER 79 14.806 4.386 -7.074 639 HG SER 79 HG SER 79 14.842 3.091 -4.678 640 H ILE 80 H ILE 80 11.187 4.775 -6.559 641 HA ILE 80 HA ILE 80 11.046 6.404 -8.960 642 HB ILE 80 HB ILE 80 10.202 4.147 -9.146 643 HG12 ILE 80 HG12 ILE 80 7.870 6.095 -9.146 644 HG13 ILE 80 HG13 ILE 80 9.010 5.863 -10.463 645 HG21 ILE 80 HG21 ILE 80 8.319 4.808 -6.886 646 HG22 ILE 80 HG22 ILE 80 9.699 3.710 -6.825 647 HG23 ILE 80 HG23 ILE 80 8.304 3.316 -7.831 648 HD11 ILE 80 HD11 ILE 80 8.201 3.570 -10.742 649 HD12 ILE 80 HD12 ILE 80 6.915 4.762 -10.934 650 HD13 ILE 80 HD13 ILE 80 7.041 3.831 -9.439 651 H ASN 81 H ASN 81 9.539 8.097 -9.280 652 HA ASN 81 HA ASN 81 8.480 9.280 -6.809 653 HB2 ASN 81 HB2 ASN 81 10.159 10.561 -8.204 654 HB3 ASN 81 HB3 ASN 81 8.941 10.636 -9.472 655 HD21 ASN 81 HD21 ASN 81 9.873 11.745 -6.319 656 HD22 ASN 81 HD22 ASN 81 8.756 13.065 -6.238 657 H TYR 82 H TYR 82 6.302 9.582 -6.560 658 HA TYR 82 HA TYR 82 4.572 8.544 -8.672 659 HB2 TYR 82 HB2 TYR 82 2.819 8.433 -7.025 660 HB3 TYR 82 HB3 TYR 82 4.267 7.691 -6.371 661 HD1 TYR 82 HD1 TYR 82 5.641 9.034 -4.682 662 HD2 TYR 82 HD2 TYR 82 1.722 10.177 -5.887 663 HE1 TYR 82 HE1 TYR 82 5.443 10.442 -2.680 664 HE2 TYR 82 HE2 TYR 82 1.515 11.586 -3.885 665 HH TYR 82 HH TYR 82 2.461 11.823 -1.694 666 H LYS 83 H LYS 83 5.570 11.548 -7.440 667 HA LYS 83 HA LYS 83 3.092 12.943 -7.697 668 HB2 LYS 83 HB2 LYS 83 5.180 13.448 -6.204 669 HB3 LYS 83 HB3 LYS 83 5.780 14.280 -7.629 670 HG2 LYS 83 HG2 LYS 83 4.800 15.974 -6.415 671 HG3 LYS 83 HG3 LYS 83 3.541 15.540 -7.567 672 HD2 LYS 83 HD2 LYS 83 3.576 14.252 -4.872 673 HD3 LYS 83 HD3 LYS 83 2.964 15.895 -5.036 674 HE2 LYS 83 HE2 LYS 83 1.375 15.062 -6.766 675 HE3 LYS 83 HE3 LYS 83 1.945 13.426 -6.438 676 HZ1 LYS 83 HZ1 LYS 83 1.207 13.685 -4.140 677 HZ2 LYS 83 HZ2 LYS 83 -0.074 13.877 -5.232 678 HZ3 LYS 83 HZ3 LYS 83 0.620 15.234 -4.494 679 H LYS 84 H LYS 84 5.867 12.347 -9.773 680 HA LYS 84 HA LYS 84 4.053 12.958 -11.932 681 HB2 LYS 84 HB2 LYS 84 5.645 14.066 -13.361 682 HB3 LYS 84 HB3 LYS 84 5.511 14.960 -11.862 683 HG2 LYS 84 HG2 LYS 84 7.745 13.020 -12.311 684 HG3 LYS 84 HG3 LYS 84 7.814 14.658 -12.952 685 HD2 LYS 84 HD2 LYS 84 7.580 15.564 -10.707 686 HD3 LYS 84 HD3 LYS 84 7.440 13.930 -10.049 687 HE2 LYS 84 HE2 LYS 84 9.686 13.414 -10.860 688 HE3 LYS 84 HE3 LYS 84 9.823 15.041 -11.525 689 HZ1 LYS 84 HZ1 LYS 84 9.771 15.965 -9.360 690 HZ2 LYS 84 HZ2 LYS 84 10.910 14.711 -9.331 691 HZ3 LYS 84 HZ3 LYS 84 9.376 14.482 -8.651 692 H ALA 85 H ALA 85 3.836 11.386 -13.171 693 HA ALA 85 HA ALA 85 5.828 9.565 -14.084 694 HB1 ALA 85 HB1 ALA 85 3.864 8.444 -12.064 695 HB2 ALA 85 HB2 ALA 85 5.608 8.589 -11.831 696 HB3 ALA 85 HB3 ALA 85 4.969 7.494 -13.061 697 H SER 86 H SER 86 5.109 9.013 -16.068 698 HA SER 86 HA SER 86 2.379 9.495 -16.794 699 HB2 SER 86 HB2 SER 86 4.573 8.192 -18.419 700 HB3 SER 86 HB3 SER 86 3.073 8.882 -19.039 701 HG SER 86 HG SER 86 3.787 10.905 -18.547 702 H ALA 87 H ALA 87 1.119 7.802 -17.988 703 HA ALA 87 HA ALA 87 0.362 5.965 -16.028 704 HB1 ALA 87 HB1 ALA 87 -0.511 6.029 -18.904 705 HB2 ALA 87 HB2 ALA 87 -1.166 7.033 -17.611 706 HB3 ALA 87 HB3 ALA 87 -1.367 5.284 -17.553 707 H ASP 88 H ASP 88 2.086 5.386 -19.075 708 HA ASP 88 HA ASP 88 1.849 2.553 -18.919 709 HB2 ASP 88 HB2 ASP 88 2.175 3.796 -21.055 710 HB3 ASP 88 HB3 ASP 88 3.831 4.127 -20.559 711 H GLU 89 H GLU 89 4.551 4.766 -18.223 712 HA GLU 89 HA GLU 89 6.317 2.687 -17.440 713 HB2 GLU 89 HB2 GLU 89 7.590 4.674 -16.305 714 HB3 GLU 89 HB3 GLU 89 7.562 4.497 -18.049 715 HG2 GLU 89 HG2 GLU 89 5.454 6.174 -16.846 716 HG3 GLU 89 HG3 GLU 89 7.103 6.801 -16.793 717 H LEU 90 H LEU 90 3.890 4.471 -15.680 718 HA LEU 90 HA LEU 90 4.640 3.865 -13.054 719 HB2 LEU 90 HB2 LEU 90 2.821 5.408 -13.691 720 HB3 LEU 90 HB3 LEU 90 1.863 4.037 -14.221 721 HG LEU 90 HG LEU 90 2.121 3.186 -11.807 722 HD11 LEU 90 HD11 LEU 90 3.838 4.713 -11.067 723 HD12 LEU 90 HD12 LEU 90 2.364 4.960 -10.131 724 HD13 LEU 90 HD13 LEU 90 2.798 6.096 -11.409 725 HD21 LEU 90 HD21 LEU 90 0.444 5.599 -12.432 726 HD22 LEU 90 HD22 LEU 90 0.170 4.460 -11.113 727 HD23 LEU 90 HD23 LEU 90 0.040 3.920 -12.787 728 H HIS 91 H HIS 91 2.543 1.965 -15.307 729 HA HIS 91 HA HIS 91 2.521 -0.205 -13.414 730 HB2 HIS 91 HB2 HIS 91 1.105 -1.420 -15.008 731 HB3 HIS 91 HB3 HIS 91 0.470 0.167 -14.630 732 HD1 HIS 91 HD1 HIS 91 -0.468 1.310 -16.599 733 HD2 HIS 91 HD2 HIS 91 2.545 -1.337 -17.684 734 HE1 HIS 91 HE1 HIS 91 -0.387 1.370 -19.107 735 HE2 HIS 91 HE2 HIS 91 1.616 -0.024 -19.711 736 H ALA 92 H ALA 92 4.605 0.745 -15.927 737 HA ALA 92 HA ALA 92 5.633 -1.849 -16.590 738 HB1 ALA 92 HB1 ALA 92 7.469 -0.645 -17.650 739 HB2 ALA 92 HB2 ALA 92 6.928 0.859 -16.903 740 HB3 ALA 92 HB3 ALA 92 5.913 0.054 -18.100 741 H TYR 93 H TYR 93 6.199 0.473 -14.067 742 HA TYR 93 HA TYR 93 8.579 -0.714 -13.033 743 HB2 TYR 93 HB2 TYR 93 7.754 1.644 -12.584 744 HB3 TYR 93 HB3 TYR 93 6.564 0.931 -11.504 745 HD1 TYR 93 HD2 TYR 93 10.210 1.212 -12.100 746 HD2 TYR 93 HD1 TYR 93 7.135 0.429 -9.266 747 HE1 TYR 93 HE2 TYR 93 11.874 1.240 -10.296 748 HE2 TYR 93 HE1 TYR 93 8.795 0.452 -7.454 749 HH TYR 93 HH TYR 93 11.095 0.264 -7.054 750 H PHE 94 H PHE 94 5.153 -1.342 -12.722 751 HA PHE 94 HA PHE 94 5.390 -3.100 -10.457 752 HB2 PHE 94 HB2 PHE 94 3.347 -1.740 -11.109 753 HB3 PHE 94 HB3 PHE 94 3.129 -2.853 -12.451 754 HD1 PHE 94 HD1 PHE 94 3.258 -2.631 -8.767 755 HD2 PHE 94 HD2 PHE 94 2.012 -4.888 -12.148 756 HE1 PHE 94 HE1 PHE 94 1.943 -4.097 -7.302 757 HE2 PHE 94 HE2 PHE 94 0.697 -6.362 -10.687 758 HZ PHE 94 HZ PHE 94 0.662 -5.964 -8.263 759 H ALA 95 H ALA 95 5.461 -3.259 -13.938 760 HA ALA 95 HA ALA 95 5.353 -6.116 -14.185 761 HB1 ALA 95 HB1 ALA 95 5.756 -5.718 -16.547 762 HB2 ALA 95 HB2 ALA 95 6.156 -4.032 -16.212 763 HB3 ALA 95 HB3 ALA 95 4.516 -4.623 -15.939 764 H GLU 96 H GLU 96 7.746 -4.057 -13.161 765 HA GLU 96 HA GLU 96 10.099 -5.055 -14.332 766 HB2 GLU 96 HB2 GLU 96 9.877 -2.940 -13.044 767 HB3 GLU 96 HB3 GLU 96 9.668 -3.877 -11.579 768 HG2 GLU 96 HG2 GLU 96 11.900 -3.007 -11.687 769 HG3 GLU 96 HG3 GLU 96 11.936 -4.763 -11.837 770 H VAL 97 H VAL 97 8.286 -6.042 -11.433 771 HA VAL 97 HA VAL 97 9.965 -8.444 -11.259 772 HB VAL 97 HB VAL 97 8.874 -8.833 -9.033 773 HG11 VAL 97 HG11 VAL 97 11.089 -7.901 -9.205 774 HG12 VAL 97 HG12 VAL 97 10.212 -7.149 -7.871 775 HG13 VAL 97 HG13 VAL 97 10.418 -6.281 -9.393 776 HG21 VAL 97 HG21 VAL 97 6.871 -7.478 -9.325 777 HG22 VAL 97 HG22 VAL 97 7.854 -6.019 -9.442 778 HG23 VAL 97 HG23 VAL 97 7.794 -6.921 -7.927 779 H LEU 98 H LEU 98 6.743 -7.354 -11.968 780 HA LEU 98 HA LEU 98 5.891 -10.164 -12.179 781 HB2 LEU 98 HB2 LEU 98 4.156 -7.784 -11.504 782 HB3 LEU 98 HB3 LEU 98 3.601 -9.435 -11.673 783 HG LEU 98 HG LEU 98 5.518 -8.491 -9.531 784 HD11 LEU 98 HD11 LEU 98 3.330 -7.467 -9.258 785 HD12 LEU 98 HD12 LEU 98 3.617 -8.686 -8.015 786 HD13 LEU 98 HD13 LEU 98 2.565 -9.051 -9.382 787 HD21 LEU 98 HD21 LEU 98 4.012 -11.085 -9.859 788 HD22 LEU 98 HD22 LEU 98 5.001 -10.637 -8.469 789 HD23 LEU 98 HD23 LEU 98 5.751 -10.863 -10.050 790 HA PRO 99 HA PRO 99 5.160 -8.392 -16.366 791 HB2 PRO 99 HB2 PRO 99 6.461 -10.612 -17.590 792 HB3 PRO 99 HB3 PRO 99 7.046 -8.953 -17.467 793 HG2 PRO 99 HG2 PRO 99 8.189 -11.150 -16.206 794 HG3 PRO 99 HG3 PRO 99 8.440 -9.459 -15.747 795 HD2 PRO 99 HD2 PRO 99 6.621 -11.501 -14.546 796 HD3 PRO 99 HD3 PRO 99 7.578 -10.228 -13.751 797 H ASN 100 H ASN 100 4.320 -11.177 -14.695 798 HA ASN 100 HA ASN 100 2.803 -12.447 -16.830 799 HB2 ASN 100 HB2 ASN 100 4.172 -13.801 -15.281 800 HB3 ASN 100 HB3 ASN 100 3.223 -13.227 -13.926 801 HD21 ASN 100 HD21 ASN 100 1.393 -14.259 -13.399 802 HD22 ASN 100 HD22 ASN 100 0.746 -15.615 -14.252 803 H TYR 101 H TYR 101 2.275 -9.923 -14.743 804 HA TYR 101 HA TYR 101 -0.347 -10.491 -13.816 805 HB2 TYR 101 HB2 TYR 101 -0.388 -8.342 -12.896 806 HB3 TYR 101 HB3 TYR 101 1.304 -8.790 -12.841 807 HD1 TYR 101 HD1 TYR 101 2.320 -8.060 -15.483 808 HD2 TYR 101 HD2 TYR 101 -0.549 -6.078 -13.062 809 HE1 TYR 101 HE1 TYR 101 2.875 -5.946 -16.567 810 HE2 TYR 101 HE2 TYR 101 0.009 -3.945 -14.150 811 HH TYR 101 HH TYR 101 2.021 -3.836 -16.975 812 H ASP 102 H ASP 102 -2.309 -9.332 -14.435 813 HA ASP 102 HA ASP 102 -2.710 -9.699 -17.233 814 HB2 ASP 102 HB2 ASP 102 -4.365 -10.356 -15.552 815 HB3 ASP 102 HB3 ASP 102 -4.624 -8.666 -15.140 816 H ARG 103 H ARG 103 -2.404 -6.939 -15.135 817 HA ARG 103 HA ARG 103 -1.937 -4.775 -15.442 818 HB2 ARG 103 HB2 ARG 103 -0.667 -5.470 -17.470 819 HB3 ARG 103 HB3 ARG 103 -2.116 -5.193 -18.419 820 HG2 ARG 103 HG2 ARG 103 -1.911 -2.816 -17.185 821 HG3 ARG 103 HG3 ARG 103 -0.205 -3.272 -17.283 822 HD2 ARG 103 HD2 ARG 103 -0.664 -2.121 -19.284 823 HD3 ARG 103 HD3 ARG 103 -0.650 -3.835 -19.704 824 HE ARG 103 HE ARG 103 -3.201 -2.481 -19.137 825 HH11 ARG 103 HH11 ARG 103 -1.122 -4.146 -21.423 826 HH12 ARG 103 HH12 ARG 103 -2.401 -4.453 -22.557 827 HH21 ARG 103 HH21 ARG 103 -4.881 -2.881 -20.596 828 HH22 ARG 103 HH22 ARG 103 -4.560 -3.713 -22.090 829 H ASP 104 H ASP 104 -4.569 -5.977 -17.490 830 HA ASP 104 HA ASP 104 -5.902 -3.435 -17.585 831 HB2 ASP 104 HB2 ASP 104 -6.032 -5.190 -19.370 832 HB3 ASP 104 HB3 ASP 104 -6.987 -6.177 -18.269 833 H ARG 105 H ARG 105 -6.276 -6.419 -15.737 834 HA ARG 105 HA ARG 105 -8.562 -5.604 -14.251 835 HB2 ARG 105 HB2 ARG 105 -6.420 -7.598 -13.508 836 HB3 ARG 105 HB3 ARG 105 -7.977 -7.422 -12.714 837 HG2 ARG 105 HG2 ARG 105 -9.136 -8.160 -14.665 838 HG3 ARG 105 HG3 ARG 105 -7.644 -8.147 -15.611 839 HD2 ARG 105 HD2 ARG 105 -6.749 -9.828 -13.927 840 HD3 ARG 105 HD3 ARG 105 -8.410 -9.983 -13.359 841 HE ARG 105 HE ARG 105 -8.639 -10.411 -16.015 842 HH11 ARG 105 HH11 ARG 105 -6.576 -11.780 -13.551 843 HH12 ARG 105 HH12 ARG 105 -6.418 -13.317 -14.335 844 HH21 ARG 105 HH21 ARG 105 -8.463 -12.428 -17.061 845 HH22 ARG 105 HH22 ARG 105 -7.504 -13.690 -16.353 846 H VAL 106 H VAL 106 -5.175 -4.945 -13.956 847 HA VAL 106 HA VAL 106 -5.308 -3.956 -11.249 848 HB VAL 106 HB VAL 106 -3.138 -3.532 -13.329 849 HG11 VAL 106 HG11 VAL 106 -3.035 -3.232 -10.324 850 HG12 VAL 106 HG12 VAL 106 -3.029 -1.912 -11.493 851 HG13 VAL 106 HG13 VAL 106 -1.675 -3.041 -11.433 852 HG21 VAL 106 HG21 VAL 106 -3.469 -5.903 -12.900 853 HG22 VAL 106 HG22 VAL 106 -3.330 -5.622 -11.163 854 HG23 VAL 106 HG23 VAL 106 -1.941 -5.351 -12.216 855 H HIS 107 H HIS 107 -6.151 -2.082 -10.726 856 HA HIS 107 HA HIS 107 -6.933 -0.184 -12.740 857 HB2 HIS 107 HB2 HIS 107 -8.424 -0.714 -10.846 858 HB3 HIS 107 HB3 HIS 107 -7.227 -0.086 -9.723 859 HD1 HIS 107 HD1 HIS 107 -7.753 2.166 -8.931 860 HD2 HIS 107 HD2 HIS 107 -9.238 1.519 -12.761 861 HE1 HIS 107 HE1 HIS 107 -8.974 4.277 -9.550 862 HE2 HIS 107 HE2 HIS 107 -10.048 3.778 -11.769 863 H ASN 108 H ASN 108 -5.822 1.474 -13.413 864 HA ASN 108 HA ASN 108 -3.283 2.200 -12.338 865 HB2 ASN 108 HB2 ASN 108 -4.034 2.341 -14.779 866 HB3 ASN 108 HB3 ASN 108 -4.926 3.782 -14.323 867 HD21 ASN 108 HD21 ASN 108 -2.565 3.176 -16.094 868 HD22 ASN 108 HD22 ASN 108 -1.394 4.369 -15.649 869 H GLY 109 H GLY 109 -2.756 3.856 -11.017 870 HA2 GLY 109 HA2 GLY 109 -3.311 5.878 -9.804 871 HA3 GLY 109 HA3 GLY 109 -4.996 5.363 -9.824 872 H ASP 110 H ASP 110 -4.246 2.566 -9.246 873 HA ASP 110 HA ASP 110 -3.935 2.757 -6.393 874 HB2 ASP 110 HB2 ASP 110 -4.448 0.495 -8.288 875 HB3 ASP 110 HB3 ASP 110 -3.934 0.155 -6.634 876 H ILE 111 H ILE 111 -1.908 2.107 -9.093 877 HA ILE 111 HA ILE 111 0.376 1.307 -7.562 878 HB ILE 111 HB ILE 111 0.457 2.541 -10.326 879 HG12 ILE 111 HG12 ILE 111 -1.139 0.659 -10.356 880 HG13 ILE 111 HG13 ILE 111 0.311 0.297 -11.282 881 HG21 ILE 111 HG21 ILE 111 2.625 2.340 -9.253 882 HG22 ILE 111 HG22 ILE 111 2.502 1.193 -10.586 883 HG23 ILE 111 HG23 ILE 111 2.331 0.631 -8.922 884 HD11 ILE 111 HD11 ILE 111 -0.316 -0.704 -8.511 885 HD12 ILE 111 HD12 ILE 111 1.144 -1.068 -9.431 886 HD13 ILE 111 HD13 ILE 111 -0.425 -1.631 -10.010 887 H LYS 112 H LYS 112 -1.049 4.343 -8.593 888 HA LYS 112 HA LYS 112 1.185 6.034 -8.114 889 HB2 LYS 112 HB2 LYS 112 -1.753 6.451 -8.467 890 HB3 LYS 112 HB3 LYS 112 -0.751 7.780 -7.901 891 HG2 LYS 112 HG2 LYS 112 0.155 6.311 -10.300 892 HG3 LYS 112 HG3 LYS 112 -1.248 7.380 -10.458 893 HD2 LYS 112 HD2 LYS 112 0.071 9.213 -9.501 894 HD3 LYS 112 HD3 LYS 112 1.466 8.135 -9.390 895 HE2 LYS 112 HE2 LYS 112 1.502 7.869 -11.784 896 HE3 LYS 112 HE3 LYS 112 0.025 8.819 -11.944 897 HZ1 LYS 112 HZ1 LYS 112 1.189 10.748 -11.137 898 HZ2 LYS 112 HZ2 LYS 112 2.023 10.097 -12.460 899 HZ3 LYS 112 HZ3 LYS 112 2.597 9.845 -10.887 900 H LYS 113 H LYS 113 -1.690 5.267 -6.162 901 HA LYS 113 HA LYS 113 -0.864 6.678 -3.849 902 HB2 LYS 113 HB2 LYS 113 -2.565 5.310 -2.666 903 HB3 LYS 113 HB3 LYS 113 -3.189 6.056 -4.130 904 HG2 LYS 113 HG2 LYS 113 -3.089 3.983 -5.318 905 HG3 LYS 113 HG3 LYS 113 -2.220 3.207 -3.993 906 HD2 LYS 113 HD2 LYS 113 -4.523 2.498 -3.956 907 HD3 LYS 113 HD3 LYS 113 -4.221 3.524 -2.556 908 HE2 LYS 113 HE2 LYS 113 -6.335 4.155 -3.428 909 HE3 LYS 113 HE3 LYS 113 -5.203 5.427 -3.881 910 HZ1 LYS 113 HZ1 LYS 113 -5.075 4.524 -6.087 911 HZ2 LYS 113 HZ2 LYS 113 -6.699 4.780 -5.690 912 HZ3 LYS 113 HZ3 LYS 113 -6.061 3.211 -5.660 913 H LEU 114 H LEU 114 -0.121 3.535 -5.126 914 HA LEU 114 HA LEU 114 0.923 2.340 -2.806 915 HB2 LEU 114 HB2 LEU 114 0.269 0.896 -4.525 916 HB3 LEU 114 HB3 LEU 114 1.083 1.818 -5.756 917 HG LEU 114 HG LEU 114 2.719 0.258 -3.772 918 HD11 LEU 114 HD11 LEU 114 1.472 -0.841 -6.288 919 HD12 LEU 114 HD12 LEU 114 1.002 -1.279 -4.648 920 HD13 LEU 114 HD13 LEU 114 2.617 -1.673 -5.233 921 HD21 LEU 114 HD21 LEU 114 3.850 1.757 -5.334 922 HD22 LEU 114 HD22 LEU 114 3.064 0.939 -6.686 923 HD23 LEU 114 HD23 LEU 114 4.221 0.067 -5.675 924 H ILE 115 H ILE 115 2.419 4.411 -5.309 925 HA ILE 115 HA ILE 115 5.105 3.990 -4.402 926 HB ILE 115 HB ILE 115 4.163 6.458 -5.873 927 HG12 ILE 115 HG12 ILE 115 3.431 4.494 -7.154 928 HG13 ILE 115 HG13 ILE 115 4.707 5.367 -7.987 929 HG21 ILE 115 HG21 ILE 115 6.465 6.546 -6.720 930 HG22 ILE 115 HG22 ILE 115 6.867 5.118 -5.766 931 HG23 ILE 115 HG23 ILE 115 6.412 6.618 -4.955 932 HD11 ILE 115 HD11 ILE 115 5.031 2.799 -6.441 933 HD12 ILE 115 HD12 ILE 115 6.327 3.672 -7.261 934 HD13 ILE 115 HD13 ILE 115 5.005 2.972 -8.196 935 H SER 116 H SER 116 2.555 6.243 -3.530 936 HA SER 116 HA SER 116 4.034 8.027 -1.956 937 HB2 SER 116 HB2 SER 116 1.656 8.338 -2.662 938 HB3 SER 116 HB3 SER 116 1.188 7.113 -1.486 939 HG SER 116 HG SER 116 1.435 8.514 0.076 940 H TRP 117 H TRP 117 2.475 4.928 -1.127 941 HA TRP 117 HA TRP 117 3.412 5.112 1.613 942 HB2 TRP 117 HB2 TRP 117 1.986 2.783 0.327 943 HB3 TRP 117 HB3 TRP 117 2.121 3.143 2.046 944 HD1 TRP 117 HD1 TRP 117 1.259 6.221 1.953 945 HE1 TRP 117 HE1 TRP 117 -1.166 6.849 1.406 946 HE3 TRP 117 HE3 TRP 117 -0.239 1.888 -0.286 947 HZ2 TRP 117 HZ2 TRP 117 -3.432 5.669 0.231 948 HZ3 TRP 117 HZ3 TRP 117 -2.561 1.713 -1.060 949 HH2 TRP 117 HH2 TRP 117 -4.119 3.562 -0.808 950 H TYR 118 H TYR 118 4.471 3.782 -1.333 951 HA TYR 118 HA TYR 118 6.254 1.751 -0.582 952 HB2 TYR 118 HB2 TYR 118 5.496 2.537 -2.881 953 HB3 TYR 118 HB3 TYR 118 6.624 3.860 -2.720 954 HD1 TYR 118 HD1 TYR 118 9.134 2.738 -1.980 955 HD2 TYR 118 HD2 TYR 118 6.110 1.031 -4.419 956 HE1 TYR 118 HE1 TYR 118 10.841 1.492 -3.211 957 HE2 TYR 118 HE2 TYR 118 7.825 -0.215 -5.660 958 HH TYR 118 HH TYR 118 11.136 -0.319 -4.629 959 H ASN 119 H ASN 119 6.532 5.270 -0.625 960 HA ASN 119 HA ASN 119 9.238 5.399 0.222 961 HB2 ASN 119 HB2 ASN 119 7.969 7.261 -0.901 962 HB3 ASN 119 HB3 ASN 119 7.091 7.493 0.607 963 HD21 ASN 119 HD21 ASN 119 10.140 7.799 -1.014 964 HD22 ASN 119 HD22 ASN 119 10.894 8.815 0.153 965 H ILE 120 H ILE 120 6.114 5.621 1.905 966 HA ILE 120 HA ILE 120 7.171 6.358 4.425 967 HB ILE 120 HB ILE 120 4.451 5.165 3.832 968 HG12 ILE 120 HG12 ILE 120 5.219 8.087 4.011 969 HG13 ILE 120 HG13 ILE 120 5.068 7.217 2.490 970 HG21 ILE 120 HG21 ILE 120 3.743 6.357 5.867 971 HG22 ILE 120 HG22 ILE 120 5.410 6.866 6.142 972 HG23 ILE 120 HG23 ILE 120 4.987 5.155 6.214 973 HD11 ILE 120 HD11 ILE 120 2.856 7.637 4.490 974 HD12 ILE 120 HD12 ILE 120 2.712 6.820 2.932 975 HD13 ILE 120 HD13 ILE 120 3.084 8.544 2.993 976 H LEU 121 H LEU 121 6.139 3.161 3.172 977 HA LEU 121 HA LEU 121 6.360 1.859 5.683 978 HB2 LEU 121 HB2 LEU 121 6.004 0.914 2.887 979 HB3 LEU 121 HB3 LEU 121 6.565 -0.251 4.069 980 HG LEU 121 HG LEU 121 4.486 0.481 5.460 981 HD11 LEU 121 HD11 LEU 121 2.592 1.218 4.121 982 HD12 LEU 121 HD12 LEU 121 3.663 1.417 2.733 983 HD13 LEU 121 HD13 LEU 121 3.883 2.419 4.167 984 HD21 LEU 121 HD21 LEU 121 4.071 -1.041 2.900 985 HD22 LEU 121 HD22 LEU 121 3.044 -1.106 4.333 986 HD23 LEU 121 HD23 LEU 121 4.700 -1.711 4.403 987 H VAL 122 H VAL 122 8.662 2.024 2.961 988 HA VAL 122 HA VAL 122 10.724 0.601 4.291 989 HB VAL 122 HB VAL 122 11.188 2.726 2.192 990 HG11 VAL 122 HG11 VAL 122 12.718 0.226 2.900 991 HG12 VAL 122 HG12 VAL 122 13.198 1.881 3.275 992 HG13 VAL 122 HG13 VAL 122 13.117 1.345 1.596 993 HG21 VAL 122 HG21 VAL 122 9.467 1.222 1.368 994 HG22 VAL 122 HG22 VAL 122 10.468 -0.173 1.772 995 HG23 VAL 122 HG23 VAL 122 10.986 0.948 0.513 996 H ASN 123 H ASN 123 9.826 3.984 4.282 997 HA ASN 123 HA ASN 123 12.115 5.242 5.277 998 HB2 ASN 123 HB2 ASN 123 9.906 6.181 4.281 999 HB3 ASN 123 HB3 ASN 123 9.294 6.096 5.920 1000 HD21 ASN 123 HD21 ASN 123 9.777 8.294 4.039 1001 HD22 ASN 123 HD22 ASN 123 10.714 9.447 4.930 1002 H ASN 124 H ASN 124 9.295 3.982 7.042 1003 HA ASN 124 HA ASN 124 10.499 4.855 9.549 1004 HB2 ASN 124 HB2 ASN 124 7.731 3.868 8.865 1005 HB3 ASN 124 HB3 ASN 124 8.252 4.234 10.507 1006 HD21 ASN 124 HD21 ASN 124 7.309 5.515 7.458 1007 HD22 ASN 124 HD22 ASN 124 7.233 7.176 7.947 1008 H GLY 125 H GLY 125 10.733 2.129 7.766 1009 HA2 GLY 125 HA2 GLY 125 11.396 -0.026 8.265 1010 HA3 GLY 125 HA3 GLY 125 11.548 0.483 9.940 1011 H ILE 126 H ILE 126 8.733 0.477 7.824 1012 HA ILE 126 HA ILE 126 7.117 -0.880 9.782 1013 HB ILE 126 HB ILE 126 6.447 -0.088 6.929 1014 HG12 ILE 126 HG12 ILE 126 5.869 1.361 9.535 1015 HG13 ILE 126 HG13 ILE 126 7.095 1.837 8.368 1016 HG21 ILE 126 HG21 ILE 126 4.636 -0.831 9.227 1017 HG22 ILE 126 HG22 ILE 126 4.966 -1.822 7.807 1018 HG23 ILE 126 HG23 ILE 126 4.112 -0.288 7.632 1019 HD11 ILE 126 HD11 ILE 126 5.122 3.230 8.181 1020 HD12 ILE 126 HD12 ILE 126 4.119 1.805 7.904 1021 HD13 ILE 126 HD13 ILE 126 5.338 2.269 6.717 1022 H THR 127 H THR 127 7.451 -2.933 10.076 1023 HA THR 127 HA THR 127 8.473 -4.574 7.884 1024 HB THR 127 HB THR 127 9.941 -4.333 9.819 1025 HG1 THR 127 HG1 THR 127 9.175 -6.669 8.846 1026 HG21 THR 127 HG21 THR 127 8.291 -3.878 11.545 1027 HG22 THR 127 HG22 THR 127 9.355 -5.198 12.035 1028 HG23 THR 127 HG23 THR 127 7.724 -5.548 11.462 1029 H GLU 128 H GLU 128 5.745 -3.999 7.947 1030 HA GLU 128 HA GLU 128 4.310 -6.264 9.031 1031 HB2 GLU 128 HB2 GLU 128 3.473 -3.950 7.283 1032 HB3 GLU 128 HB3 GLU 128 2.370 -5.182 7.847 1033 HG2 GLU 128 HG2 GLU 128 3.835 -3.110 9.447 1034 HG3 GLU 128 HG3 GLU 128 2.096 -3.327 9.279 1035 H PHE 129 H PHE 129 5.195 -5.025 5.871 1036 HA PHE 129 HA PHE 129 4.152 -7.379 4.529 1037 HB2 PHE 129 HB2 PHE 129 4.431 -6.134 2.468 1038 HB3 PHE 129 HB3 PHE 129 3.613 -5.124 3.642 1039 HD1 PHE 129 HD1 PHE 129 5.895 -3.980 5.163 1040 HD2 PHE 129 HD2 PHE 129 5.456 -4.699 1.003 1041 HE1 PHE 129 HE1 PHE 129 7.492 -2.207 4.701 1042 HE2 PHE 129 HE2 PHE 129 7.076 -2.916 0.526 1043 HZ PHE 129 HZ PHE 129 8.107 -1.665 2.378 1044 H VAL 130 H VAL 130 7.161 -5.849 5.348 1045 HA VAL 130 HA VAL 130 8.673 -7.874 3.865 1046 HB VAL 130 HB VAL 130 9.071 -5.456 3.274 1047 HG11 VAL 130 HG11 VAL 130 10.428 -4.053 4.740 1048 HG12 VAL 130 HG12 VAL 130 10.287 -5.258 6.021 1049 HG13 VAL 130 HG13 VAL 130 8.850 -4.414 5.442 1050 HG21 VAL 130 HG21 VAL 130 10.748 -7.105 2.751 1051 HG22 VAL 130 HG22 VAL 130 11.453 -6.941 4.361 1052 HG23 VAL 130 HG23 VAL 130 11.511 -5.588 3.229 1053 H GLU 131 H GLU 131 10.274 -9.032 4.947 1054 HA GLU 131 HA GLU 131 9.924 -9.191 7.838 1055 HB2 GLU 131 HB2 GLU 131 11.610 -10.901 6.010 1056 HB3 GLU 131 HB3 GLU 131 11.213 -11.241 7.689 1057 HG2 GLU 131 HG2 GLU 131 8.841 -11.442 7.074 1058 HG3 GLU 131 HG3 GLU 131 9.267 -11.126 5.392 1059 H ALA 132 H ALA 132 11.903 -7.553 5.732 1060 HA ALA 132 HA ALA 132 14.231 -7.604 7.528 1061 HB1 ALA 132 HB1 ALA 132 15.544 -6.844 5.612 1062 HB2 ALA 132 HB2 ALA 132 14.087 -6.812 4.618 1063 HB3 ALA 132 HB3 ALA 132 14.694 -8.346 5.242 1064 HA PRO 133 HA PRO 133 12.991 -3.280 8.351 1065 HB2 PRO 133 HB2 PRO 133 14.992 -3.529 10.488 1066 HB3 PRO 133 HB3 PRO 133 13.275 -3.134 10.609 1067 HG2 PRO 133 HG2 PRO 133 14.260 -5.483 11.475 1068 HG3 PRO 133 HG3 PRO 133 12.641 -5.344 10.767 1069 HD2 PRO 133 HD2 PRO 133 15.183 -6.314 9.502 1070 HD3 PRO 133 HD3 PRO 133 13.541 -6.985 9.386 1071 H ALA 134 H ALA 134 13.925 -1.740 7.173 1072 HA ALA 134 HA ALA 134 16.551 -2.019 6.104 1073 HB1 ALA 134 HB1 ALA 134 14.714 -0.999 4.850 1074 HB2 ALA 134 HB2 ALA 134 16.109 0.073 4.962 1075 HB3 ALA 134 HB3 ALA 134 14.696 0.352 5.982 1076 H LEU 135 H LEU 135 15.110 0.359 8.329 1077 HA LEU 135 HA LEU 135 17.689 0.587 9.644 1078 HB2 LEU 135 HB2 LEU 135 17.597 3.027 9.782 1079 HB3 LEU 135 HB3 LEU 135 17.736 2.467 8.138 1080 HG LEU 135 HG LEU 135 15.076 3.352 9.265 1081 HD11 LEU 135 HD11 LEU 135 15.538 5.570 8.359 1082 HD12 LEU 135 HD12 LEU 135 17.173 5.059 7.940 1083 HD13 LEU 135 HD13 LEU 135 16.683 5.144 9.631 1084 HD21 LEU 135 HD21 LEU 135 14.544 3.824 6.930 1085 HD22 LEU 135 HD22 LEU 135 15.044 2.141 7.108 1086 HD23 LEU 135 HD23 LEU 135 16.167 3.327 6.442 1087 H GLU 136 H GLU 136 16.994 -0.557 11.326 1088 HA GLU 136 HA GLU 136 15.307 0.689 13.277 1089 HB2 GLU 136 HB2 GLU 136 13.763 -0.467 11.518 1090 HB3 GLU 136 HB3 GLU 136 14.312 -1.967 12.238 1091 HG2 GLU 136 HG2 GLU 136 13.059 0.190 13.896 1092 HG3 GLU 136 HG3 GLU 136 12.090 -0.988 13.014 1093 H HIS 137 H HIS 137 15.836 -2.782 12.672 1094 HA HIS 137 HA HIS 137 17.291 -4.342 13.414 1095 HB2 HIS 137 HB2 HIS 137 18.932 -2.493 12.726 1096 HB3 HIS 137 HB3 HIS 137 19.077 -2.135 14.438 1097 HD1 HIS 137 HD1 HIS 137 20.964 -3.266 15.550 1098 HD2 HIS 137 HD2 HIS 137 19.691 -5.363 12.188 1099 HE1 HIS 137 HE1 HIS 137 22.582 -5.171 15.291 1100 HE2 HIS 137 HE2 HIS 137 21.861 -6.374 13.201 1101 H HIS 138 H HIS 138 15.238 -3.045 15.352 1102 HA HIS 138 HA HIS 138 16.491 -3.994 17.873 1103 HB2 HIS 138 HB2 HIS 138 14.902 -1.497 17.354 1104 HB3 HIS 138 HB3 HIS 138 14.897 -2.224 18.952 1105 HD1 HIS 138 HD1 HIS 138 15.973 0.065 19.743 1106 HD2 HIS 138 HD2 HIS 138 18.379 -2.247 17.256 1107 HE1 HIS 138 HE1 HIS 138 18.304 0.985 20.001 1108 HE2 HIS 138 HE2 HIS 138 19.745 -0.433 18.508 1109 H HIS 139 H HIS 139 14.470 -5.128 15.817 1110 HA HIS 139 HA HIS 139 11.949 -4.974 17.184 1111 HB2 HIS 139 HB2 HIS 139 12.725 -5.435 14.534 1112 HB3 HIS 139 HB3 HIS 139 11.892 -6.903 15.054 1113 HD1 HIS 139 HD1 HIS 139 9.377 -6.739 15.499 1114 HD2 HIS 139 HD2 HIS 139 11.137 -3.100 14.534 1115 HE1 HIS 139 HE1 HIS 139 7.473 -5.138 15.127 1116 HE2 HIS 139 HE2 HIS 139 8.567 -2.908 14.749 1117 H HIS 140 H HIS 140 14.527 -7.329 17.184 1118 HA HIS 140 HA HIS 140 12.702 -9.126 18.638 1119 HB2 HIS 140 HB2 HIS 140 14.125 -10.998 18.206 1120 HB3 HIS 140 HB3 HIS 140 13.844 -10.180 16.684 1121 HD1 HIS 140 HD1 HIS 140 16.536 -10.994 19.165 1122 HD2 HIS 140 HD2 HIS 140 16.140 -9.243 15.413 1123 HE1 HIS 140 HE1 HIS 140 18.865 -10.830 18.253 1124 HE2 HIS 140 HE2 HIS 140 18.621 -9.731 16.000 1125 H HIS 141 H HIS 141 14.628 -6.718 19.258 1126 HA HIS 141 HA HIS 141 15.654 -5.822 21.018 1127 HB2 HIS 141 HB2 HIS 141 14.655 -8.246 22.505 1128 HB3 HIS 141 HB3 HIS 141 15.580 -6.960 23.272 1129 HD1 HIS 141 HD1 HIS 141 12.180 -7.907 22.348 1130 HD2 HIS 141 HD2 HIS 141 14.223 -4.375 23.155 1131 HE1 HIS 141 HE1 HIS 141 10.402 -6.179 22.774 1132 HE2 HIS 141 HE2 HIS 141 11.668 -4.122 23.483 1133 H HIS 142 H HIS 142 17.674 -5.555 20.737 1134 HA HIS 142 HA HIS 142 19.923 -5.761 20.791 1135 HB2 HIS 142 HB2 HIS 142 19.407 -6.507 23.138 1136 HB3 HIS 142 HB3 HIS 142 19.476 -8.169 22.572 1137 HD1 HIS 142 HD1 HIS 142 21.535 -9.088 23.588 1138 HD2 HIS 142 HD2 HIS 142 22.159 -5.305 21.978 1139 HE1 HIS 142 HE1 HIS 142 23.988 -8.629 23.875 1140 HE2 HIS 142 HE2 HIS 142 24.278 -6.240 23.134 Start of MODEL 10 1 H1 MET 1 H1 MET 1 3.928 -7.309 10.285 2 H2 MET 1 H2 MET 1 4.380 -7.975 8.792 3 H3 MET 1 H3 MET 1 4.433 -8.926 10.190 4 HA MET 1 HA MET 1 2.519 -9.445 8.795 5 HB2 MET 1 HB2 MET 1 2.632 -9.067 11.559 6 HB3 MET 1 HB3 MET 1 1.150 -8.248 11.093 7 HG2 MET 1 HG2 MET 1 1.746 -11.052 10.215 8 HG3 MET 1 HG3 MET 1 0.997 -10.699 11.771 9 HE1 MET 1 HE1 MET 1 -0.101 -12.427 9.073 10 HE2 MET 1 HE2 MET 1 -1.825 -12.086 9.256 11 HE3 MET 1 HE3 MET 1 -0.840 -12.497 10.665 12 H LEU 2 H LEU 2 0.127 -8.600 8.556 13 HA LEU 2 HA LEU 2 0.200 -5.742 7.829 14 HB2 LEU 2 HB2 LEU 2 -0.650 -8.098 6.288 15 HB3 LEU 2 HB3 LEU 2 -1.800 -6.776 6.268 16 HG LEU 2 HG LEU 2 -0.398 -6.586 4.335 17 HD11 LEU 2 HD11 LEU 2 0.560 -4.356 4.642 18 HD12 LEU 2 HD12 LEU 2 0.424 -4.540 6.391 19 HD13 LEU 2 HD13 LEU 2 -1.030 -4.488 5.396 20 HD21 LEU 2 HD21 LEU 2 2.033 -6.315 4.485 21 HD22 LEU 2 HD22 LEU 2 1.510 -7.890 5.084 22 HD23 LEU 2 HD23 LEU 2 1.954 -6.617 6.222 23 H LYS 3 H LYS 3 -2.424 -5.350 7.248 24 HA LYS 3 HA LYS 3 -4.544 -5.035 7.960 25 HB2 LYS 3 HB2 LYS 3 -4.613 -7.433 8.573 26 HB3 LYS 3 HB3 LYS 3 -3.987 -7.037 10.162 27 HG2 LYS 3 HG2 LYS 3 -6.377 -7.431 10.228 28 HG3 LYS 3 HG3 LYS 3 -5.999 -5.761 10.654 29 HD2 LYS 3 HD2 LYS 3 -6.629 -5.020 8.436 30 HD3 LYS 3 HD3 LYS 3 -6.903 -6.688 7.930 31 HE2 LYS 3 HE2 LYS 3 -8.412 -5.328 10.157 32 HE3 LYS 3 HE3 LYS 3 -8.982 -5.424 8.490 33 HZ1 LYS 3 HZ1 LYS 3 -8.406 -7.742 10.261 34 HZ2 LYS 3 HZ2 LYS 3 -8.940 -7.839 8.659 35 HZ3 LYS 3 HZ3 LYS 3 -9.948 -7.172 9.848 36 H THR 4 H THR 4 -1.908 -4.723 10.100 37 HA THR 4 HA THR 4 -3.344 -2.947 11.935 38 HB THR 4 HB THR 4 -0.397 -3.583 12.088 39 HG1 THR 4 HG1 THR 4 -2.407 -5.359 12.182 40 HG21 THR 4 HG21 THR 4 -0.792 -3.321 14.505 41 HG22 THR 4 HG22 THR 4 -2.501 -3.015 14.190 42 HG23 THR 4 HG23 THR 4 -1.281 -1.877 13.616 43 H ILE 5 H ILE 5 -1.111 -2.902 9.291 44 HA ILE 5 HA ILE 5 -0.568 -0.088 9.480 45 HB ILE 5 HB ILE 5 0.072 -2.205 7.437 46 HG12 ILE 5 HG12 ILE 5 1.515 -1.989 9.414 47 HG13 ILE 5 HG13 ILE 5 2.388 -1.608 7.935 48 HG21 ILE 5 HG21 ILE 5 -0.530 -0.282 6.077 49 HG22 ILE 5 HG22 ILE 5 1.209 -0.572 6.014 50 HG23 ILE 5 HG23 ILE 5 0.568 0.738 7.008 51 HD11 ILE 5 HD11 ILE 5 2.981 -0.076 9.716 52 HD12 ILE 5 HD12 ILE 5 1.289 0.385 9.908 53 HD13 ILE 5 HD13 ILE 5 2.147 0.782 8.419 54 H LEU 6 H LEU 6 -2.003 1.310 9.139 55 HA LEU 6 HA LEU 6 -4.334 0.794 7.442 56 HB2 LEU 6 HB2 LEU 6 -4.463 1.493 9.896 57 HB3 LEU 6 HB3 LEU 6 -3.807 3.036 9.400 58 HG LEU 6 HG LEU 6 -5.823 3.310 7.920 59 HD11 LEU 6 HD11 LEU 6 -6.794 0.933 9.507 60 HD12 LEU 6 HD12 LEU 6 -6.470 0.962 7.772 61 HD13 LEU 6 HD13 LEU 6 -7.781 1.934 8.442 62 HD21 LEU 6 HD21 LEU 6 -5.568 4.407 10.104 63 HD22 LEU 6 HD22 LEU 6 -6.311 3.009 10.884 64 HD23 LEU 6 HD23 LEU 6 -7.250 3.998 9.765 65 H SER 7 H SER 7 -4.619 1.983 5.601 66 HA SER 7 HA SER 7 -2.386 3.754 4.871 67 HB2 SER 7 HB2 SER 7 -2.981 3.093 2.512 68 HB3 SER 7 HB3 SER 7 -2.388 1.775 3.521 69 HG SER 7 HG SER 7 -5.145 2.212 3.441 70 H ILE 8 H ILE 8 -2.774 5.776 4.226 71 HA ILE 8 HA ILE 8 -5.588 6.656 4.221 72 HB ILE 8 HB ILE 8 -3.257 8.177 5.437 73 HG12 ILE 8 HG12 ILE 8 -3.804 6.240 6.816 74 HG13 ILE 8 HG13 ILE 8 -4.290 7.726 7.618 75 HG21 ILE 8 HG21 ILE 8 -6.220 8.779 5.482 76 HG22 ILE 8 HG22 ILE 8 -5.002 9.645 4.544 77 HG23 ILE 8 HG23 ILE 8 -4.965 9.704 6.307 78 HD11 ILE 8 HD11 ILE 8 -6.617 7.301 7.002 79 HD12 ILE 8 HD12 ILE 8 -5.937 5.956 7.920 80 HD13 ILE 8 HD13 ILE 8 -6.128 5.824 6.172 81 H ALA 9 H ALA 9 -6.186 7.874 2.554 82 HA ALA 9 HA ALA 9 -4.079 8.789 0.707 83 HB1 ALA 9 HB1 ALA 9 -5.641 8.448 -1.133 84 HB2 ALA 9 HB2 ALA 9 -6.880 7.909 0.001 85 HB3 ALA 9 HB3 ALA 9 -5.413 6.955 -0.223 86 H GLY 10 H GLY 10 -3.857 10.856 1.457 87 HA2 GLY 10 HA2 GLY 10 -5.481 12.867 0.478 88 HA3 GLY 10 HA3 GLY 10 -6.038 12.562 2.114 89 H LYS 11 H LYS 11 -5.008 13.502 3.755 90 HA LYS 11 HA LYS 11 -2.790 15.248 3.136 91 HB2 LYS 11 HB2 LYS 11 -4.647 16.185 4.380 92 HB3 LYS 11 HB3 LYS 11 -4.430 14.999 5.656 93 HG2 LYS 11 HG2 LYS 11 -2.276 15.948 6.222 94 HG3 LYS 11 HG3 LYS 11 -2.416 17.105 4.898 95 HD2 LYS 11 HD2 LYS 11 -4.381 18.086 5.963 96 HD3 LYS 11 HD3 LYS 11 -4.255 16.921 7.283 97 HE2 LYS 11 HE2 LYS 11 -3.306 19.101 7.896 98 HE3 LYS 11 HE3 LYS 11 -2.085 17.830 7.905 99 HZ1 LYS 11 HZ1 LYS 11 -2.510 19.735 5.660 100 HZ2 LYS 11 HZ2 LYS 11 -1.265 18.592 5.799 101 HZ3 LYS 11 HZ3 LYS 11 -1.325 19.913 6.859 102 HA PRO 12 HA PRO 12 -0.421 12.580 6.294 103 HB2 PRO 12 HB2 PRO 12 -1.915 10.346 7.306 104 HB3 PRO 12 HB3 PRO 12 -1.355 11.766 8.190 105 HG2 PRO 12 HG2 PRO 12 -3.991 11.192 7.713 106 HG3 PRO 12 HG3 PRO 12 -3.357 12.819 8.014 107 HD2 PRO 12 HD2 PRO 12 -4.017 11.496 5.410 108 HD3 PRO 12 HD3 PRO 12 -4.370 13.153 5.954 109 H GLY 13 H GLY 13 -0.409 9.673 6.687 110 HA2 GLY 13 HA2 GLY 13 -0.125 8.742 3.921 111 HA3 GLY 13 HA3 GLY 13 1.285 8.716 4.971 112 H LEU 14 H LEU 14 0.985 7.530 7.071 113 HA LEU 14 HA LEU 14 -0.871 5.285 6.786 114 HB2 LEU 14 HB2 LEU 14 2.097 5.074 7.243 115 HB3 LEU 14 HB3 LEU 14 0.981 3.755 7.537 116 HG LEU 14 HG LEU 14 1.069 5.039 4.829 117 HD11 LEU 14 HD11 LEU 14 3.373 4.532 5.404 118 HD12 LEU 14 HD12 LEU 14 2.761 3.446 4.157 119 HD13 LEU 14 HD13 LEU 14 2.909 2.884 5.823 120 HD21 LEU 14 HD21 LEU 14 0.518 2.229 5.758 121 HD22 LEU 14 HD22 LEU 14 0.381 2.835 4.106 122 HD23 LEU 14 HD23 LEU 14 -0.706 3.435 5.359 123 H TYR 15 H TYR 15 -1.588 4.395 8.615 124 HA TYR 15 HA TYR 15 -0.669 5.500 11.185 125 HB2 TYR 15 HB2 TYR 15 -3.478 4.752 10.337 126 HB3 TYR 15 HB3 TYR 15 -3.015 5.039 12.007 127 HD1 TYR 15 HD1 TYR 15 -1.205 7.420 11.531 128 HD2 TYR 15 HD2 TYR 15 -5.058 6.452 10.036 129 HE1 TYR 15 HE1 TYR 15 -1.698 9.807 11.275 130 HE2 TYR 15 HE2 TYR 15 -5.559 8.844 9.761 131 HH TYR 15 HH TYR 15 -4.862 10.968 10.599 132 H LYS 16 H LYS 16 -0.950 4.006 13.010 133 HA LYS 16 HA LYS 16 -1.406 1.226 12.160 134 HB2 LYS 16 HB2 LYS 16 0.465 2.322 14.217 135 HB3 LYS 16 HB3 LYS 16 -0.247 0.733 14.472 136 HG2 LYS 16 HG2 LYS 16 0.577 0.176 12.128 137 HG3 LYS 16 HG3 LYS 16 1.546 1.642 12.260 138 HD2 LYS 16 HD2 LYS 16 2.716 0.772 14.166 139 HD3 LYS 16 HD3 LYS 16 1.629 -0.616 14.261 140 HE2 LYS 16 HE2 LYS 16 2.420 -1.215 11.932 141 HE3 LYS 16 HE3 LYS 16 3.678 -0.001 12.144 142 HZ1 LYS 16 HZ1 LYS 16 4.546 -1.222 13.999 143 HZ2 LYS 16 HZ2 LYS 16 4.397 -2.275 12.677 144 HZ3 LYS 16 HZ3 LYS 16 3.265 -2.331 13.935 145 H LEU 17 H LEU 17 -3.260 0.466 12.718 146 HA LEU 17 HA LEU 17 -5.014 1.822 14.505 147 HB2 LEU 17 HB2 LEU 17 -5.502 0.345 12.392 148 HB3 LEU 17 HB3 LEU 17 -5.461 -0.980 13.532 149 HG LEU 17 HG LEU 17 -7.319 1.366 13.927 150 HD11 LEU 17 HD11 LEU 17 -7.721 0.435 11.694 151 HD12 LEU 17 HD12 LEU 17 -9.055 0.094 12.797 152 HD13 LEU 17 HD13 LEU 17 -7.893 -1.172 12.401 153 HD21 LEU 17 HD21 LEU 17 -8.636 -0.254 15.196 154 HD22 LEU 17 HD22 LEU 17 -6.998 -0.141 15.842 155 HD23 LEU 17 HD23 LEU 17 -7.455 -1.514 14.833 156 H ILE 18 H ILE 18 -5.085 1.652 16.618 157 HA ILE 18 HA ILE 18 -3.796 -0.663 17.905 158 HB ILE 18 HB ILE 18 -4.344 2.001 19.232 159 HG12 ILE 18 HG12 ILE 18 -1.716 1.141 17.993 160 HG13 ILE 18 HG13 ILE 18 -2.846 2.231 17.200 161 HG21 ILE 18 HG21 ILE 18 -3.961 0.134 20.737 162 HG22 ILE 18 HG22 ILE 18 -2.577 1.228 20.777 163 HG23 ILE 18 HG23 ILE 18 -2.478 -0.286 19.877 164 HD11 ILE 18 HD11 ILE 18 -1.460 2.722 19.819 165 HD12 ILE 18 HD12 ILE 18 -2.584 3.823 19.022 166 HD13 ILE 18 HD13 ILE 18 -1.038 3.437 18.264 167 H SER 19 H SER 19 -6.528 1.596 18.184 168 HA SER 19 HA SER 19 -8.122 -0.506 19.463 169 HB2 SER 19 HB2 SER 19 -8.084 2.362 20.445 170 HB3 SER 19 HB3 SER 19 -8.962 1.007 21.154 171 HG SER 19 HG SER 19 -6.810 0.048 21.498 172 H GLN 20 H GLN 20 -10.367 -0.298 19.078 173 HA GLN 20 HA GLN 20 -11.149 1.864 17.239 174 HB2 GLN 20 HB2 GLN 20 -12.372 -0.884 17.591 175 HB3 GLN 20 HB3 GLN 20 -13.028 0.379 16.556 176 HG2 GLN 20 HG2 GLN 20 -10.981 0.362 15.235 177 HG3 GLN 20 HG3 GLN 20 -10.320 -0.899 16.267 178 HE21 GLN 20 HE21 GLN 20 -10.066 -2.316 14.599 179 HE22 GLN 20 HE22 GLN 20 -11.401 -3.117 13.842 180 H GLY 21 H GLY 21 -12.143 3.439 18.295 181 HA2 GLY 21 HA2 GLY 21 -13.074 2.849 21.008 182 HA3 GLY 21 HA3 GLY 21 -12.660 4.435 20.386 183 H LYS 22 H LYS 22 -14.665 4.999 21.539 184 HA LYS 22 HA LYS 22 -17.109 4.202 20.117 185 HB2 LYS 22 HB2 LYS 22 -16.619 3.830 22.685 186 HB3 LYS 22 HB3 LYS 22 -17.094 5.511 22.820 187 HG2 LYS 22 HG2 LYS 22 -18.932 3.683 21.378 188 HG3 LYS 22 HG3 LYS 22 -18.803 3.516 23.128 189 HD2 LYS 22 HD2 LYS 22 -19.300 5.929 23.352 190 HD3 LYS 22 HD3 LYS 22 -19.526 6.016 21.605 191 HE2 LYS 22 HE2 LYS 22 -21.331 4.362 21.785 192 HE3 LYS 22 HE3 LYS 22 -21.120 4.351 23.537 193 HZ1 LYS 22 HZ1 LYS 22 -21.891 6.704 21.899 194 HZ2 LYS 22 HZ2 LYS 22 -21.672 6.701 23.578 195 HZ3 LYS 22 HZ3 LYS 22 -22.929 5.797 22.887 196 H ASN 23 H ASN 23 -15.729 5.928 18.752 197 HA ASN 23 HA ASN 23 -17.476 8.028 18.168 198 HB2 ASN 23 HB2 ASN 23 -16.471 9.147 20.193 199 HB3 ASN 23 HB3 ASN 23 -14.890 9.024 19.435 200 HD21 ASN 23 HD21 ASN 23 -14.550 11.228 19.363 201 HD22 ASN 23 HD22 ASN 23 -15.426 12.283 18.307 202 H MET 24 H MET 24 -14.088 7.173 18.290 203 HA MET 24 HA MET 24 -13.857 7.026 15.407 204 HB2 MET 24 HB2 MET 24 -12.200 8.659 15.156 205 HB3 MET 24 HB3 MET 24 -13.373 9.429 16.206 206 HG2 MET 24 HG2 MET 24 -10.806 8.154 17.099 207 HG3 MET 24 HG3 MET 24 -11.063 9.875 16.853 208 HE1 MET 24 HE1 MET 24 -9.859 8.476 19.388 209 HE2 MET 24 HE2 MET 24 -10.616 9.386 20.699 210 HE3 MET 24 HE3 MET 24 -10.032 10.224 19.258 211 H LEU 25 H LEU 25 -11.311 6.486 15.055 212 HA LEU 25 HA LEU 25 -10.779 4.210 16.801 213 HB2 LEU 25 HB2 LEU 25 -9.709 5.124 14.154 214 HB3 LEU 25 HB3 LEU 25 -8.851 3.925 15.088 215 HG LEU 25 HG LEU 25 -10.206 2.269 14.404 216 HD11 LEU 25 HD11 LEU 25 -12.121 2.932 15.760 217 HD12 LEU 25 HD12 LEU 25 -12.628 2.347 14.175 218 HD13 LEU 25 HD13 LEU 25 -12.607 4.078 14.511 219 HD21 LEU 25 HD21 LEU 25 -9.644 3.383 12.360 220 HD22 LEU 25 HD22 LEU 25 -11.062 4.425 12.510 221 HD23 LEU 25 HD23 LEU 25 -11.263 2.691 12.242 222 H ILE 26 H ILE 26 -8.946 3.964 17.997 223 HA ILE 26 HA ILE 26 -7.288 6.329 18.446 224 HB ILE 26 HB ILE 26 -7.317 3.627 19.841 225 HG12 ILE 26 HG12 ILE 26 -9.306 5.009 20.318 226 HG13 ILE 26 HG13 ILE 26 -8.307 4.767 21.743 227 HG21 ILE 26 HG21 ILE 26 -5.821 4.615 21.516 228 HG22 ILE 26 HG22 ILE 26 -5.706 6.079 20.541 229 HG23 ILE 26 HG23 ILE 26 -5.080 4.553 19.917 230 HD11 ILE 26 HD11 ILE 26 -9.166 7.036 21.627 231 HD12 ILE 26 HD12 ILE 26 -8.397 7.259 20.056 232 HD13 ILE 26 HD13 ILE 26 -7.407 7.022 21.498 233 H VAL 27 H VAL 27 -5.760 6.529 16.906 234 HA VAL 27 HA VAL 27 -4.065 4.182 16.402 235 HB VAL 27 HB VAL 27 -3.657 4.906 14.078 236 HG11 VAL 27 HG11 VAL 27 -6.583 4.483 14.685 237 HG12 VAL 27 HG12 VAL 27 -5.368 3.234 14.407 238 HG13 VAL 27 HG13 VAL 27 -5.838 4.313 13.094 239 HG21 VAL 27 HG21 VAL 27 -5.828 6.947 14.562 240 HG22 VAL 27 HG22 VAL 27 -5.066 6.592 13.010 241 HG23 VAL 27 HG23 VAL 27 -4.113 7.286 14.322 242 H GLU 28 H GLU 28 -1.913 4.856 15.533 243 HA GLU 28 HA GLU 28 -1.157 7.569 16.380 244 HB2 GLU 28 HB2 GLU 28 0.401 5.014 16.714 245 HB3 GLU 28 HB3 GLU 28 1.201 6.581 16.668 246 HG2 GLU 28 HG2 GLU 28 -0.173 7.316 18.573 247 HG3 GLU 28 HG3 GLU 28 -0.907 5.714 18.637 248 H THR 29 H THR 29 0.238 8.681 15.052 249 HA THR 29 HA THR 29 0.145 7.904 12.279 250 HB THR 29 HB THR 29 1.755 10.218 13.367 251 HG1 THR 29 HG1 THR 29 -0.750 9.927 13.904 252 HG21 THR 29 HG21 THR 29 1.169 11.242 11.214 253 HG22 THR 29 HG22 THR 29 0.228 9.812 10.784 254 HG23 THR 29 HG23 THR 29 1.978 9.692 10.978 255 H VAL 30 H VAL 30 1.747 6.965 11.136 256 HA VAL 30 HA VAL 30 4.178 6.300 12.603 257 HB VAL 30 HB VAL 30 3.592 5.324 9.813 258 HG11 VAL 30 HG11 VAL 30 4.980 3.438 10.555 259 HG12 VAL 30 HG12 VAL 30 5.168 4.214 12.128 260 HG13 VAL 30 HG13 VAL 30 5.822 4.983 10.682 261 HG21 VAL 30 HG21 VAL 30 2.634 4.017 12.366 262 HG22 VAL 30 HG22 VAL 30 2.553 3.314 10.751 263 HG23 VAL 30 HG23 VAL 30 1.607 4.752 11.134 264 H ASP 31 H ASP 31 5.123 8.249 12.650 265 HA ASP 31 HA ASP 31 6.507 9.133 10.277 266 HB2 ASP 31 HB2 ASP 31 5.695 11.397 10.277 267 HB3 ASP 31 HB3 ASP 31 4.278 10.362 10.289 268 H ALA 32 H ALA 32 7.496 11.570 11.413 269 HA ALA 32 HA ALA 32 9.438 10.516 13.229 270 HB1 ALA 32 HB1 ALA 32 10.395 12.756 13.208 271 HB2 ALA 32 HB2 ALA 32 8.963 13.371 12.381 272 HB3 ALA 32 HB3 ALA 32 10.020 12.212 11.574 273 H ALA 33 H ALA 33 6.506 12.428 13.590 274 HA ALA 33 HA ALA 33 6.972 13.145 16.320 275 HB1 ALA 33 HB1 ALA 33 5.480 14.450 14.870 276 HB2 ALA 33 HB2 ALA 33 4.659 13.906 16.333 277 HB3 ALA 33 HB3 ALA 33 4.366 13.084 14.801 278 H LYS 34 H LYS 34 5.154 10.550 14.730 279 HA LYS 34 HA LYS 34 4.002 8.729 15.455 280 HB2 LYS 34 HB2 LYS 34 5.975 8.852 17.743 281 HB3 LYS 34 HB3 LYS 34 4.903 7.497 17.428 282 HG2 LYS 34 HG2 LYS 34 6.028 7.012 15.372 283 HG3 LYS 34 HG3 LYS 34 6.987 8.490 15.498 284 HD2 LYS 34 HD2 LYS 34 7.979 7.623 17.591 285 HD3 LYS 34 HD3 LYS 34 7.085 6.119 17.361 286 HE2 LYS 34 HE2 LYS 34 8.264 5.683 15.307 287 HE3 LYS 34 HE3 LYS 34 9.073 7.248 15.400 288 HZ1 LYS 34 HZ1 LYS 34 10.117 6.504 17.475 289 HZ2 LYS 34 HZ2 LYS 34 10.546 5.533 16.157 290 HZ3 LYS 34 HZ3 LYS 34 9.410 4.977 17.284 291 H LYS 35 H LYS 35 2.483 10.713 15.800 292 HA LYS 35 HA LYS 35 1.863 11.187 18.603 293 HB2 LYS 35 HB2 LYS 35 0.395 13.020 17.635 294 HB3 LYS 35 HB3 LYS 35 2.128 13.196 17.414 295 HG2 LYS 35 HG2 LYS 35 1.918 12.370 15.116 296 HG3 LYS 35 HG3 LYS 35 0.179 12.202 15.340 297 HD2 LYS 35 HD2 LYS 35 1.640 14.811 15.670 298 HD3 LYS 35 HD3 LYS 35 0.936 14.286 14.139 299 HE2 LYS 35 HE2 LYS 35 -1.264 14.159 15.196 300 HE3 LYS 35 HE3 LYS 35 -0.560 14.673 16.729 301 HZ1 LYS 35 HZ1 LYS 35 -1.632 16.487 15.503 302 HZ2 LYS 35 HZ2 LYS 35 -0.526 16.279 14.234 303 HZ3 LYS 35 HZ3 LYS 35 0.018 16.771 15.762 304 H ARG 36 H ARG 36 -0.103 10.915 19.547 305 HA ARG 36 HA ARG 36 -1.826 8.874 18.515 306 HB2 ARG 36 HB2 ARG 36 -1.320 9.442 20.981 307 HB3 ARG 36 HB3 ARG 36 -2.478 10.748 20.787 308 HG2 ARG 36 HG2 ARG 36 -3.719 9.025 21.739 309 HG3 ARG 36 HG3 ARG 36 -4.115 8.925 20.023 310 HD2 ARG 36 HD2 ARG 36 -3.672 6.715 21.044 311 HD3 ARG 36 HD3 ARG 36 -2.565 7.103 19.724 312 HE ARG 36 HE ARG 36 -1.225 7.964 21.911 313 HH11 ARG 36 HH11 ARG 36 -2.761 4.870 21.249 314 HH12 ARG 36 HH12 ARG 36 -1.556 3.965 22.109 315 HH21 ARG 36 HH21 ARG 36 0.322 6.776 23.015 316 HH22 ARG 36 HH22 ARG 36 0.183 5.049 23.126 317 H VAL 37 H VAL 37 -3.229 9.224 16.969 318 HA VAL 37 HA VAL 37 -4.582 11.826 16.825 319 HB VAL 37 HB VAL 37 -4.843 11.275 14.314 320 HG11 VAL 37 HG11 VAL 37 -2.707 12.336 13.772 321 HG12 VAL 37 HG12 VAL 37 -2.141 12.031 15.415 322 HG13 VAL 37 HG13 VAL 37 -3.500 13.122 15.138 323 HG21 VAL 37 HG21 VAL 37 -4.033 8.980 14.391 324 HG22 VAL 37 HG22 VAL 37 -2.459 9.543 14.953 325 HG23 VAL 37 HG23 VAL 37 -3.022 9.969 13.336 326 HA PRO 38 HA PRO 38 -8.320 9.393 16.769 327 HB2 PRO 38 HB2 PRO 38 -9.810 11.705 15.990 328 HB3 PRO 38 HB3 PRO 38 -9.701 10.970 17.584 329 HG2 PRO 38 HG2 PRO 38 -8.701 13.450 16.940 330 HG3 PRO 38 HG3 PRO 38 -8.133 12.455 18.293 331 HD2 PRO 38 HD2 PRO 38 -6.943 12.828 15.579 332 HD3 PRO 38 HD3 PRO 38 -6.139 12.675 17.157 333 H ALA 39 H ALA 39 -8.429 8.054 15.066 334 HA ALA 39 HA ALA 39 -8.450 9.064 12.343 335 HB1 ALA 39 HB1 ALA 39 -8.385 6.734 11.657 336 HB2 ALA 39 HB2 ALA 39 -8.619 6.220 13.328 337 HB3 ALA 39 HB3 ALA 39 -7.137 7.056 12.862 338 H TYR 40 H TYR 40 -10.263 9.798 11.571 339 HA TYR 40 HA TYR 40 -12.799 8.821 12.600 340 HB2 TYR 40 HB2 TYR 40 -12.191 11.112 10.708 341 HB3 TYR 40 HB3 TYR 40 -13.776 10.733 11.374 342 HD1 TYR 40 HD1 TYR 40 -13.678 10.465 14.082 343 HD2 TYR 40 HD2 TYR 40 -11.089 12.872 11.706 344 HE1 TYR 40 HE1 TYR 40 -13.195 11.878 16.035 345 HE2 TYR 40 HE2 TYR 40 -10.599 14.282 13.659 346 HH TYR 40 HH TYR 40 -11.574 14.884 15.796 347 H ALA 41 H ALA 41 -14.568 8.381 11.099 348 HA ALA 41 HA ALA 41 -13.735 6.772 8.840 349 HB1 ALA 41 HB1 ALA 41 -16.122 6.232 8.630 350 HB2 ALA 41 HB2 ALA 41 -16.495 7.413 9.885 351 HB3 ALA 41 HB3 ALA 41 -15.539 5.983 10.277 352 H HIS 42 H HIS 42 -14.307 9.995 9.333 353 HA HIS 42 HA HIS 42 -15.356 10.550 6.669 354 HB2 HIS 42 HB2 HIS 42 -14.898 12.257 9.108 355 HB3 HIS 42 HB3 HIS 42 -15.255 12.966 7.538 356 HD1 HIS 42 HD1 HIS 42 -16.832 11.180 10.395 357 HD2 HIS 42 HD2 HIS 42 -17.883 12.514 6.602 358 HE1 HIS 42 HE1 HIS 42 -19.341 11.071 10.314 359 HE2 HIS 42 HE2 HIS 42 -19.952 11.778 7.974 360 H ASP 43 H ASP 43 -13.045 9.388 6.413 361 HA ASP 43 HA ASP 43 -11.421 11.371 5.066 362 HB2 ASP 43 HB2 ASP 43 -10.565 10.753 7.563 363 HB3 ASP 43 HB3 ASP 43 -9.907 9.367 6.702 364 H LYS 44 H LYS 44 -9.659 9.935 3.769 365 HA LYS 44 HA LYS 44 -11.052 7.541 2.876 366 HB2 LYS 44 HB2 LYS 44 -8.734 9.058 1.719 367 HB3 LYS 44 HB3 LYS 44 -9.117 7.425 1.180 368 HG2 LYS 44 HG2 LYS 44 -11.490 8.318 0.818 369 HG3 LYS 44 HG3 LYS 44 -10.759 9.917 0.936 370 HD2 LYS 44 HD2 LYS 44 -9.377 9.513 -0.958 371 HD3 LYS 44 HD3 LYS 44 -9.802 7.797 -0.981 372 HE2 LYS 44 HE2 LYS 44 -12.176 8.490 -1.397 373 HE3 LYS 44 HE3 LYS 44 -11.595 10.144 -1.584 374 HZ1 LYS 44 HZ1 LYS 44 -10.716 7.834 -3.231 375 HZ2 LYS 44 HZ2 LYS 44 -10.251 9.449 -3.444 376 HZ3 LYS 44 HZ3 LYS 44 -11.858 8.988 -3.708 377 H VAL 45 H VAL 45 -10.852 6.419 4.709 378 HA VAL 45 HA VAL 45 -8.212 5.550 5.593 379 HB VAL 45 HB VAL 45 -10.932 5.221 6.910 380 HG11 VAL 45 HG11 VAL 45 -8.186 4.576 7.984 381 HG12 VAL 45 HG12 VAL 45 -9.418 3.404 7.516 382 HG13 VAL 45 HG13 VAL 45 -9.700 4.478 8.887 383 HG21 VAL 45 HG21 VAL 45 -10.139 6.866 8.525 384 HG22 VAL 45 HG22 VAL 45 -10.145 7.539 6.895 385 HG23 VAL 45 HG23 VAL 45 -8.627 7.028 7.633 386 H ILE 46 H ILE 46 -7.548 3.934 4.443 387 HA ILE 46 HA ILE 46 -9.343 1.667 3.836 388 HB ILE 46 HB ILE 46 -6.749 2.365 2.425 389 HG12 ILE 46 HG12 ILE 46 -8.306 4.242 2.053 390 HG13 ILE 46 HG13 ILE 46 -7.984 3.356 0.570 391 HG21 ILE 46 HG21 ILE 46 -9.024 0.579 1.579 392 HG22 ILE 46 HG22 ILE 46 -7.448 0.059 2.178 393 HG23 ILE 46 HG23 ILE 46 -7.568 0.908 0.637 394 HD11 ILE 46 HD11 ILE 46 -10.159 2.236 0.792 395 HD12 ILE 46 HD12 ILE 46 -10.311 3.991 0.701 396 HD13 ILE 46 HD13 ILE 46 -10.472 3.170 2.255 397 H SER 47 H SER 47 -8.450 -0.449 4.438 398 HA SER 47 HA SER 47 -6.042 -0.363 6.074 399 HB2 SER 47 HB2 SER 47 -7.991 -1.830 6.697 400 HB3 SER 47 HB3 SER 47 -7.685 -2.778 5.242 401 HG SER 47 HG SER 47 -6.312 -2.709 7.649 402 H LEU 48 H LEU 48 -4.042 -1.169 5.409 403 HA LEU 48 HA LEU 48 -3.537 -1.314 2.595 404 HB2 LEU 48 HB2 LEU 48 -2.015 -0.551 4.613 405 HB3 LEU 48 HB3 LEU 48 -1.578 -2.241 4.678 406 HG LEU 48 HG LEU 48 -0.021 -0.607 3.450 407 HD11 LEU 48 HD11 LEU 48 -0.900 -3.097 2.015 408 HD12 LEU 48 HD12 LEU 48 0.293 -3.002 3.309 409 HD13 LEU 48 HD13 LEU 48 0.620 -2.238 1.752 410 HD21 LEU 48 HD21 LEU 48 -0.523 -0.227 1.090 411 HD22 LEU 48 HD22 LEU 48 -1.693 0.561 2.150 412 HD23 LEU 48 HD23 LEU 48 -2.121 -0.938 1.323 413 H ALA 49 H ALA 49 -4.467 -3.558 4.984 414 HA ALA 49 HA ALA 49 -3.578 -5.985 3.798 415 HB1 ALA 49 HB1 ALA 49 -5.830 -5.484 5.726 416 HB2 ALA 49 HB2 ALA 49 -4.150 -5.820 6.145 417 HB3 ALA 49 HB3 ALA 49 -5.120 -7.054 5.342 418 H ASP 50 H ASP 50 -6.253 -3.818 3.222 419 HA ASP 50 HA ASP 50 -8.204 -5.724 2.375 420 HB2 ASP 50 HB2 ASP 50 -8.982 -3.685 3.343 421 HB3 ASP 50 HB3 ASP 50 -8.057 -2.713 2.211 422 H ILE 51 H ILE 51 -5.961 -3.608 0.652 423 HA ILE 51 HA ILE 51 -7.289 -3.690 -1.849 424 HB ILE 51 HB ILE 51 -4.366 -3.050 -1.329 425 HG12 ILE 51 HG12 ILE 51 -5.793 -0.684 -1.816 426 HG13 ILE 51 HG13 ILE 51 -6.786 -1.596 -0.684 427 HG21 ILE 51 HG21 ILE 51 -6.139 -2.300 -3.654 428 HG22 ILE 51 HG22 ILE 51 -4.821 -3.472 -3.690 429 HG23 ILE 51 HG23 ILE 51 -4.475 -1.764 -3.413 430 HD11 ILE 51 HD11 ILE 51 -3.886 -0.897 -0.289 431 HD12 ILE 51 HD12 ILE 51 -4.924 -1.748 0.857 432 HD13 ILE 51 HD13 ILE 51 -5.258 -0.066 0.446 433 H ALA 52 H ALA 52 -7.390 -5.251 -3.308 434 HA ALA 52 HA ALA 52 -5.118 -7.077 -3.637 435 HB1 ALA 52 HB1 ALA 52 -6.793 -8.279 -2.337 436 HB2 ALA 52 HB2 ALA 52 -6.643 -8.965 -3.956 437 HB3 ALA 52 HB3 ALA 52 -8.014 -7.926 -3.560 438 H MET 53 H MET 53 -4.972 -7.986 -5.792 439 HA MET 53 HA MET 53 -6.238 -6.223 -7.771 440 HB2 MET 53 HB2 MET 53 -3.351 -7.078 -7.553 441 HB3 MET 53 HB3 MET 53 -4.035 -6.402 -9.027 442 HG2 MET 53 HG2 MET 53 -4.614 -4.361 -7.813 443 HG3 MET 53 HG3 MET 53 -3.903 -5.037 -6.349 444 HE1 MET 53 HE1 MET 53 -1.505 -2.142 -7.609 445 HE2 MET 53 HE2 MET 53 -2.559 -2.670 -6.299 446 HE3 MET 53 HE3 MET 53 -3.249 -2.226 -7.861 447 H TYR 54 H TYR 54 -7.069 -7.163 -9.503 448 HA TYR 54 HA TYR 54 -6.870 -10.066 -9.750 449 HB2 TYR 54 HB2 TYR 54 -8.673 -8.097 -11.182 450 HB3 TYR 54 HB3 TYR 54 -8.769 -9.849 -11.305 451 HD1 TYR 54 HD2 TYR 54 -9.392 -11.174 -9.231 452 HD2 TYR 54 HD1 TYR 54 -9.753 -6.939 -9.441 453 HE1 TYR 54 HE2 TYR 54 -10.928 -11.217 -7.312 454 HE2 TYR 54 HE1 TYR 54 -11.288 -6.969 -7.522 455 HH TYR 54 HH TYR 54 -11.787 -9.801 -5.596 456 H THR 55 H THR 55 -5.898 -11.058 -11.437 457 HA THR 55 HA THR 55 -4.985 -9.582 -13.740 458 HB THR 55 HB THR 55 -3.346 -8.866 -12.101 459 HG1 THR 55 HG1 THR 55 -2.683 -9.562 -14.323 460 HG21 THR 55 HG21 THR 55 -1.812 -10.403 -10.969 461 HG22 THR 55 HG22 THR 55 -2.729 -11.776 -11.596 462 HG23 THR 55 HG23 THR 55 -3.488 -10.644 -10.475 463 H ASP 56 H ASP 56 -2.980 -11.465 -14.580 464 HA ASP 56 HA ASP 56 -4.244 -13.788 -15.436 465 HB2 ASP 56 HB2 ASP 56 -2.153 -13.054 -16.383 466 HB3 ASP 56 HB3 ASP 56 -1.335 -13.218 -14.840 467 H ALA 57 H ALA 57 -2.462 -13.185 -12.464 468 HA ALA 57 HA ALA 57 -3.071 -15.782 -11.327 469 HB1 ALA 57 HB1 ALA 57 -1.882 -13.302 -10.054 470 HB2 ALA 57 HB2 ALA 57 -0.978 -14.668 -10.710 471 HB3 ALA 57 HB3 ALA 57 -2.005 -14.890 -9.294 472 H GLU 58 H GLU 58 -4.111 -15.612 -9.005 473 HA GLU 58 HA GLU 58 -6.718 -14.464 -9.297 474 HB2 GLU 58 HB2 GLU 58 -5.357 -15.927 -7.035 475 HB3 GLU 58 HB3 GLU 58 -7.039 -15.404 -6.980 476 HG2 GLU 58 HG2 GLU 58 -7.692 -16.881 -8.647 477 HG3 GLU 58 HG3 GLU 58 -6.049 -17.083 -9.251 478 H GLU 59 H GLU 59 -7.276 -13.635 -6.625 479 HA GLU 59 HA GLU 59 -6.490 -10.911 -6.824 480 HB2 GLU 59 HB2 GLU 59 -7.675 -10.721 -4.574 481 HB3 GLU 59 HB3 GLU 59 -8.641 -11.278 -5.931 482 HG2 GLU 59 HG2 GLU 59 -8.729 -13.465 -5.130 483 HG3 GLU 59 HG3 GLU 59 -7.350 -13.232 -4.058 484 H VAL 60 H VAL 60 -4.402 -10.449 -6.550 485 HA VAL 60 HA VAL 60 -3.004 -11.566 -4.235 486 HB VAL 60 HB VAL 60 -0.918 -10.610 -5.228 487 HG11 VAL 60 HG11 VAL 60 -0.737 -12.265 -7.039 488 HG12 VAL 60 HG12 VAL 60 -2.486 -12.498 -6.980 489 HG13 VAL 60 HG13 VAL 60 -1.490 -12.927 -5.589 490 HG21 VAL 60 HG21 VAL 60 -1.852 -8.816 -6.578 491 HG22 VAL 60 HG22 VAL 60 -2.666 -9.992 -7.613 492 HG23 VAL 60 HG23 VAL 60 -0.903 -9.917 -7.574 493 HA PRO 61 HA PRO 61 -3.812 -7.861 -1.926 494 HB2 PRO 61 HB2 PRO 61 -1.525 -8.785 -0.292 495 HB3 PRO 61 HB3 PRO 61 -3.185 -8.428 0.192 496 HG2 PRO 61 HG2 PRO 61 -2.287 -10.945 0.040 497 HG3 PRO 61 HG3 PRO 61 -3.952 -10.530 -0.415 498 HD2 PRO 61 HD2 PRO 61 -1.582 -11.079 -2.152 499 HD3 PRO 61 HD3 PRO 61 -3.277 -11.556 -2.379 500 H LEU 62 H LEU 62 -2.890 -5.869 -1.513 501 HA LEU 62 HA LEU 62 -1.025 -4.924 -3.387 502 HB2 LEU 62 HB2 LEU 62 -2.826 -3.595 -2.137 503 HB3 LEU 62 HB3 LEU 62 -1.690 -3.514 -0.805 504 HG LEU 62 HG LEU 62 -0.086 -2.287 -2.203 505 HD11 LEU 62 HD11 LEU 62 -0.721 -1.565 -4.451 506 HD12 LEU 62 HD12 LEU 62 -2.230 -2.469 -4.327 507 HD13 LEU 62 HD13 LEU 62 -0.688 -3.326 -4.346 508 HD21 LEU 62 HD21 LEU 62 -2.861 -1.118 -2.274 509 HD22 LEU 62 HD22 LEU 62 -1.369 -0.223 -2.569 510 HD23 LEU 62 HD23 LEU 62 -1.668 -0.944 -0.984 511 H SER 63 H SER 63 -0.695 -6.004 -0.101 512 HA SER 63 HA SER 63 1.856 -4.940 0.454 513 HB2 SER 63 HB2 SER 63 1.748 -6.658 2.327 514 HB3 SER 63 HB3 SER 63 0.441 -5.472 2.256 515 HG SER 63 HG SER 63 0.406 -8.225 1.637 516 H GLU 64 H GLU 64 0.846 -7.880 -1.163 517 HA GLU 64 HA GLU 64 3.322 -9.294 -0.761 518 HB2 GLU 64 HB2 GLU 64 1.224 -9.903 -2.843 519 HB3 GLU 64 HB3 GLU 64 2.431 -10.998 -2.197 520 HG2 GLU 64 HG2 GLU 64 0.004 -9.905 -0.816 521 HG3 GLU 64 HG3 GLU 64 0.324 -11.572 -1.285 522 H VAL 65 H VAL 65 1.915 -7.338 -3.326 523 HA VAL 65 HA VAL 65 4.219 -7.793 -5.022 524 HB VAL 65 HB VAL 65 1.862 -7.724 -5.887 525 HG11 VAL 65 HG11 VAL 65 0.995 -5.830 -4.680 526 HG12 VAL 65 HG12 VAL 65 0.854 -5.570 -6.420 527 HG13 VAL 65 HG13 VAL 65 2.125 -4.756 -5.509 528 HG21 VAL 65 HG21 VAL 65 3.879 -5.896 -7.165 529 HG22 VAL 65 HG22 VAL 65 2.479 -6.602 -7.975 530 HG23 VAL 65 HG23 VAL 65 3.763 -7.644 -7.362 531 H LEU 66 H LEU 66 3.069 -5.455 -2.764 532 HA LEU 66 HA LEU 66 4.842 -3.295 -3.281 533 HB2 LEU 66 HB2 LEU 66 2.825 -3.291 -1.820 534 HB3 LEU 66 HB3 LEU 66 3.693 -4.277 -0.674 535 HG LEU 66 HG LEU 66 5.203 -2.447 -0.198 536 HD11 LEU 66 HD11 LEU 66 5.223 -1.415 -2.417 537 HD12 LEU 66 HD12 LEU 66 4.809 -0.242 -1.167 538 HD13 LEU 66 HD13 LEU 66 3.547 -0.916 -2.199 539 HD21 LEU 66 HD21 LEU 66 3.127 -2.670 1.040 540 HD22 LEU 66 HD22 LEU 66 2.284 -1.701 -0.171 541 HD23 LEU 66 HD23 LEU 66 3.541 -0.968 0.829 542 H GLU 67 H GLU 67 5.007 -6.219 -1.386 543 HA GLU 67 HA GLU 67 7.552 -6.122 -0.271 544 HB2 GLU 67 HB2 GLU 67 5.751 -7.795 0.154 545 HB3 GLU 67 HB3 GLU 67 6.032 -8.471 -1.433 546 HG2 GLU 67 HG2 GLU 67 8.215 -8.366 0.572 547 HG3 GLU 67 HG3 GLU 67 6.978 -9.609 0.670 548 H ALA 68 H ALA 68 6.435 -7.266 -3.408 549 HA ALA 68 HA ALA 68 8.906 -8.277 -4.303 550 HB1 ALA 68 HB1 ALA 68 6.452 -7.556 -5.887 551 HB2 ALA 68 HB2 ALA 68 6.751 -9.098 -5.081 552 HB3 ALA 68 HB3 ALA 68 7.775 -8.592 -6.426 553 H VAL 69 H VAL 69 7.251 -5.156 -4.974 554 HA VAL 69 HA VAL 69 9.247 -4.343 -6.862 555 HB VAL 69 HB VAL 69 8.274 -2.082 -6.812 556 HG11 VAL 69 HG11 VAL 69 7.336 -3.705 -8.310 557 HG12 VAL 69 HG12 VAL 69 6.071 -2.641 -7.693 558 HG13 VAL 69 HG13 VAL 69 6.241 -4.275 -7.051 559 HG21 VAL 69 HG21 VAL 69 6.382 -3.170 -4.723 560 HG22 VAL 69 HG22 VAL 69 6.237 -1.611 -5.534 561 HG23 VAL 69 HG23 VAL 69 7.605 -1.925 -4.466 562 H LYS 70 H LYS 70 8.895 -3.950 -3.386 563 HA LYS 70 HA LYS 70 11.007 -2.069 -3.017 564 HB2 LYS 70 HB2 LYS 70 9.245 -2.585 -1.332 565 HB3 LYS 70 HB3 LYS 70 9.983 -4.164 -1.089 566 HG2 LYS 70 HG2 LYS 70 12.068 -2.986 -0.366 567 HG3 LYS 70 HG3 LYS 70 11.164 -1.471 -0.448 568 HD2 LYS 70 HD2 LYS 70 9.502 -2.484 1.123 569 HD3 LYS 70 HD3 LYS 70 10.600 -3.848 1.311 570 HE2 LYS 70 HE2 LYS 70 11.230 -0.973 1.972 571 HE3 LYS 70 HE3 LYS 70 10.812 -2.225 3.135 572 HZ1 LYS 70 HZ1 LYS 70 12.808 -3.448 2.365 573 HZ2 LYS 70 HZ2 LYS 70 13.156 -1.973 3.120 574 HZ3 LYS 70 HZ3 LYS 70 13.234 -2.097 1.437 575 H LYS 71 H LYS 71 10.807 -5.565 -3.161 576 HA LYS 71 HA LYS 71 13.478 -6.125 -2.312 577 HB2 LYS 71 HB2 LYS 71 11.417 -7.577 -2.105 578 HB3 LYS 71 HB3 LYS 71 11.559 -7.895 -3.819 579 HG2 LYS 71 HG2 LYS 71 13.678 -8.994 -3.496 580 HG3 LYS 71 HG3 LYS 71 13.666 -8.568 -1.782 581 HD2 LYS 71 HD2 LYS 71 12.960 -10.878 -2.099 582 HD3 LYS 71 HD3 LYS 71 11.637 -9.899 -1.464 583 HE2 LYS 71 HE2 LYS 71 10.876 -9.643 -3.875 584 HE3 LYS 71 HE3 LYS 71 12.022 -10.922 -4.267 585 HZ1 LYS 71 HZ1 LYS 71 10.857 -12.346 -2.652 586 HZ2 LYS 71 HZ2 LYS 71 9.859 -11.854 -3.931 587 HZ3 LYS 71 HZ3 LYS 71 9.714 -11.112 -2.412 588 H LYS 72 H LYS 72 11.896 -5.561 -5.376 589 HA LYS 72 HA LYS 72 13.881 -6.407 -7.177 590 HB2 LYS 72 HB2 LYS 72 11.622 -5.804 -7.877 591 HB3 LYS 72 HB3 LYS 72 11.873 -4.145 -7.359 592 HG2 LYS 72 HG2 LYS 72 12.004 -4.279 -9.755 593 HG3 LYS 72 HG3 LYS 72 13.593 -3.884 -9.101 594 HD2 LYS 72 HD2 LYS 72 14.233 -6.266 -9.315 595 HD3 LYS 72 HD3 LYS 72 12.664 -6.591 -10.059 596 HE2 LYS 72 HE2 LYS 72 13.178 -5.104 -11.889 597 HE3 LYS 72 HE3 LYS 72 14.697 -4.638 -11.123 598 HZ1 LYS 72 HZ1 LYS 72 15.493 -6.889 -11.380 599 HZ2 LYS 72 HZ2 LYS 72 15.013 -6.270 -12.884 600 HZ3 LYS 72 HZ3 LYS 72 14.018 -7.370 -12.067 601 H GLU 73 H GLU 73 13.432 -3.383 -5.421 602 HA GLU 73 HA GLU 73 15.832 -2.229 -6.566 603 HB2 GLU 73 HB2 GLU 73 13.780 -1.158 -4.629 604 HB3 GLU 73 HB3 GLU 73 15.198 -0.250 -5.136 605 HG2 GLU 73 HG2 GLU 73 12.957 -1.228 -6.897 606 HG3 GLU 73 HG3 GLU 73 13.287 0.440 -6.430 607 H ASN 74 H ASN 74 15.728 -4.550 -4.575 608 HA ASN 74 HA ASN 74 17.037 -5.479 -2.998 609 HB2 ASN 74 HB2 ASN 74 18.836 -3.070 -3.363 610 HB3 ASN 74 HB3 ASN 74 19.267 -4.552 -2.515 611 HD21 ASN 74 HD21 ASN 74 18.903 -2.992 -5.540 612 HD22 ASN 74 HD22 ASN 74 19.488 -4.277 -6.540 613 H GLY 75 H GLY 75 14.918 -3.558 -2.234 614 HA2 GLY 75 HA2 GLY 75 14.079 -3.228 -0.060 615 HA3 GLY 75 HA3 GLY 75 15.720 -3.222 0.555 616 H ALA 76 H ALA 76 15.067 -1.244 -2.223 617 HA ALA 76 HA ALA 76 15.761 1.086 -0.649 618 HB1 ALA 76 HB1 ALA 76 15.313 0.862 -3.614 619 HB2 ALA 76 HB2 ALA 76 16.864 0.698 -2.792 620 HB3 ALA 76 HB3 ALA 76 16.010 2.242 -2.765 621 H VAL 77 H VAL 77 14.676 3.217 -1.417 622 HA VAL 77 HA VAL 77 11.809 2.883 -0.880 623 HB VAL 77 HB VAL 77 13.168 5.548 -0.735 624 HG11 VAL 77 HG11 VAL 77 11.536 5.933 1.050 625 HG12 VAL 77 HG12 VAL 77 10.949 4.282 0.848 626 HG13 VAL 77 HG13 VAL 77 10.774 5.445 -0.465 627 HG21 VAL 77 HG21 VAL 77 13.333 3.505 1.472 628 HG22 VAL 77 HG22 VAL 77 13.788 5.203 1.609 629 HG23 VAL 77 HG23 VAL 77 14.686 4.133 0.531 630 H ALA 78 H ALA 78 11.557 2.330 -3.160 631 HA ALA 78 HA ALA 78 10.583 2.736 -5.124 632 HB1 ALA 78 HB1 ALA 78 9.412 4.796 -5.537 633 HB2 ALA 78 HB2 ALA 78 10.317 5.606 -4.256 634 HB3 ALA 78 HB3 ALA 78 9.199 4.299 -3.858 635 H SER 79 H SER 79 12.182 5.921 -4.941 636 HA SER 79 HA SER 79 13.400 7.105 -6.418 637 HB2 SER 79 HB2 SER 79 14.620 4.406 -7.054 638 HB3 SER 79 HB3 SER 79 15.259 5.958 -7.599 639 HG SER 79 HG SER 79 15.752 4.755 -5.326 640 H ILE 80 H ILE 80 10.826 6.223 -7.227 641 HA ILE 80 HA ILE 80 11.063 5.791 -10.107 642 HB ILE 80 HB ILE 80 9.483 4.324 -9.014 643 HG12 ILE 80 HG12 ILE 80 7.983 6.438 -10.584 644 HG13 ILE 80 HG13 ILE 80 8.868 5.083 -11.270 645 HG21 ILE 80 HG21 ILE 80 7.486 5.136 -7.842 646 HG22 ILE 80 HG22 ILE 80 8.079 6.790 -8.004 647 HG23 ILE 80 HG23 ILE 80 8.981 5.620 -7.040 648 HD11 ILE 80 HD11 ILE 80 7.294 3.534 -10.196 649 HD12 ILE 80 HD12 ILE 80 6.493 4.652 -11.302 650 HD13 ILE 80 HD13 ILE 80 6.395 4.913 -9.560 651 H ASN 81 H ASN 81 10.200 8.221 -7.759 652 HA ASN 81 HA ASN 81 9.186 10.210 -7.766 653 HB2 ASN 81 HB2 ASN 81 10.620 10.371 -10.407 654 HB3 ASN 81 HB3 ASN 81 9.573 11.684 -9.874 655 HD21 ASN 81 HD21 ASN 81 12.480 11.574 -10.292 656 HD22 ASN 81 HD22 ASN 81 13.181 12.073 -8.794 657 H TYR 82 H TYR 82 7.126 9.819 -7.555 658 HA TYR 82 HA TYR 82 5.530 8.624 -9.605 659 HB2 TYR 82 HB2 TYR 82 3.712 8.701 -7.956 660 HB3 TYR 82 HB3 TYR 82 5.183 8.039 -7.267 661 HD1 TYR 82 HD1 TYR 82 6.600 9.578 -5.769 662 HD2 TYR 82 HD2 TYR 82 2.616 10.507 -6.942 663 HE1 TYR 82 HE1 TYR 82 6.426 11.163 -3.902 664 HE2 TYR 82 HE2 TYR 82 2.438 12.101 -5.078 665 HH TYR 82 HH TYR 82 3.479 12.475 -2.877 666 H LYS 83 H LYS 83 6.388 11.798 -9.065 667 HA LYS 83 HA LYS 83 3.935 12.915 -10.184 668 HB2 LYS 83 HB2 LYS 83 6.440 14.219 -9.110 669 HB3 LYS 83 HB3 LYS 83 5.084 15.106 -9.789 670 HG2 LYS 83 HG2 LYS 83 3.633 14.343 -8.040 671 HG3 LYS 83 HG3 LYS 83 4.888 13.274 -7.410 672 HD2 LYS 83 HD2 LYS 83 6.268 15.186 -6.842 673 HD3 LYS 83 HD3 LYS 83 5.080 16.281 -7.551 674 HE2 LYS 83 HE2 LYS 83 3.464 15.710 -5.886 675 HE3 LYS 83 HE3 LYS 83 4.489 14.421 -5.259 676 HZ1 LYS 83 HZ1 LYS 83 4.590 16.395 -3.871 677 HZ2 LYS 83 HZ2 LYS 83 5.124 17.321 -5.188 678 HZ3 LYS 83 HZ3 LYS 83 6.097 16.075 -4.576 679 H LYS 84 H LYS 84 7.077 11.903 -11.121 680 HA LYS 84 HA LYS 84 6.991 13.490 -13.587 681 HB2 LYS 84 HB2 LYS 84 9.269 12.096 -12.184 682 HB3 LYS 84 HB3 LYS 84 9.411 12.818 -13.783 683 HG2 LYS 84 HG2 LYS 84 8.791 14.994 -12.843 684 HG3 LYS 84 HG3 LYS 84 8.697 14.258 -11.242 685 HD2 LYS 84 HD2 LYS 84 11.025 13.774 -11.237 686 HD3 LYS 84 HD3 LYS 84 11.178 14.202 -12.944 687 HE2 LYS 84 HE2 LYS 84 10.509 16.523 -12.355 688 HE3 LYS 84 HE3 LYS 84 10.540 16.057 -10.657 689 HZ1 LYS 84 HZ1 LYS 84 12.876 15.546 -10.856 690 HZ2 LYS 84 HZ2 LYS 84 12.591 17.141 -11.353 691 HZ3 LYS 84 HZ3 LYS 84 12.855 15.927 -12.507 692 H ALA 85 H ALA 85 6.653 10.265 -12.448 693 HA ALA 85 HA ALA 85 7.335 9.097 -15.030 694 HB1 ALA 85 HB1 ALA 85 6.393 7.772 -12.482 695 HB2 ALA 85 HB2 ALA 85 8.067 7.903 -13.022 696 HB3 ALA 85 HB3 ALA 85 6.916 6.939 -13.946 697 H SER 86 H SER 86 5.877 8.834 -16.545 698 HA SER 86 HA SER 86 3.116 9.469 -16.116 699 HB2 SER 86 HB2 SER 86 4.576 8.419 -18.556 700 HB3 SER 86 HB3 SER 86 2.901 8.976 -18.548 701 HG SER 86 HG SER 86 3.624 10.925 -18.717 702 H ALA 87 H ALA 87 1.542 7.868 -17.460 703 HA ALA 87 HA ALA 87 1.130 5.593 -15.876 704 HB1 ALA 87 HB1 ALA 87 -0.635 6.743 -17.111 705 HB2 ALA 87 HB2 ALA 87 -0.611 5.014 -17.459 706 HB3 ALA 87 HB3 ALA 87 0.050 6.159 -18.628 707 H ASP 88 H ASP 88 2.751 5.940 -18.993 708 HA ASP 88 HA ASP 88 3.176 3.188 -19.515 709 HB2 ASP 88 HB2 ASP 88 4.710 5.628 -20.408 710 HB3 ASP 88 HB3 ASP 88 5.007 4.013 -21.035 711 H GLU 89 H GLU 89 5.090 5.559 -17.728 712 HA GLU 89 HA GLU 89 7.338 3.782 -17.421 713 HB2 GLU 89 HB2 GLU 89 6.777 6.422 -16.061 714 HB3 GLU 89 HB3 GLU 89 8.318 5.575 -16.078 715 HG2 GLU 89 HG2 GLU 89 6.896 6.751 -18.451 716 HG3 GLU 89 HG3 GLU 89 8.329 7.405 -17.660 717 H LEU 90 H LEU 90 4.552 4.691 -15.578 718 HA LEU 90 HA LEU 90 5.213 3.483 -13.100 719 HB2 LEU 90 HB2 LEU 90 3.414 5.147 -13.431 720 HB3 LEU 90 HB3 LEU 90 2.533 3.986 -14.402 721 HG LEU 90 HG LEU 90 2.380 2.516 -12.383 722 HD11 LEU 90 HD11 LEU 90 4.266 3.421 -11.138 723 HD12 LEU 90 HD12 LEU 90 2.777 3.533 -10.197 724 HD13 LEU 90 HD13 LEU 90 3.435 4.969 -10.983 725 HD21 LEU 90 HD21 LEU 90 0.600 3.833 -11.361 726 HD22 LEU 90 HD22 LEU 90 0.545 3.922 -13.121 727 HD23 LEU 90 HD23 LEU 90 1.189 5.274 -12.189 728 H HIS 91 H HIS 91 3.581 2.402 -16.040 729 HA HIS 91 HA HIS 91 2.938 -0.212 -15.285 730 HB2 HIS 91 HB2 HIS 91 2.064 0.959 -17.296 731 HB3 HIS 91 HB3 HIS 91 3.653 0.848 -18.036 732 HD1 HIS 91 HD1 HIS 91 4.308 -1.377 -19.114 733 HD2 HIS 91 HD2 HIS 91 0.615 -1.469 -17.217 734 HE1 HIS 91 HE1 HIS 91 3.250 -3.551 -19.803 735 HE2 HIS 91 HE2 HIS 91 0.966 -3.529 -18.736 736 H ALA 92 H ALA 92 5.866 1.133 -16.768 737 HA ALA 92 HA ALA 92 7.191 -1.321 -17.215 738 HB1 ALA 92 HB1 ALA 92 7.738 0.757 -18.387 739 HB2 ALA 92 HB2 ALA 92 9.157 0.029 -17.636 740 HB3 ALA 92 HB3 ALA 92 8.380 1.426 -16.887 741 H TYR 93 H TYR 93 7.128 0.856 -14.451 742 HA TYR 93 HA TYR 93 9.352 -0.327 -13.100 743 HB2 TYR 93 HB2 TYR 93 8.694 2.018 -12.748 744 HB3 TYR 93 HB3 TYR 93 7.168 1.492 -12.060 745 HD1 TYR 93 HD2 TYR 93 10.839 1.442 -11.520 746 HD2 TYR 93 HD1 TYR 93 6.994 0.979 -9.755 747 HE1 TYR 93 HE2 TYR 93 11.873 1.388 -9.286 748 HE2 TYR 93 HE1 TYR 93 8.017 0.922 -7.523 749 HH TYR 93 HH TYR 93 11.316 1.724 -6.978 750 H PHE 94 H PHE 94 5.845 -0.745 -12.959 751 HA PHE 94 HA PHE 94 5.934 -2.377 -10.587 752 HB2 PHE 94 HB2 PHE 94 4.041 -0.835 -11.246 753 HB3 PHE 94 HB3 PHE 94 3.635 -2.000 -12.498 754 HD1 PHE 94 HD1 PHE 94 4.249 -1.859 -8.827 755 HD2 PHE 94 HD2 PHE 94 2.064 -3.590 -12.034 756 HE1 PHE 94 HE1 PHE 94 2.867 -3.097 -7.216 757 HE2 PHE 94 HE2 PHE 94 0.678 -4.826 -10.433 758 HZ PHE 94 HZ PHE 94 1.079 -4.582 -8.024 759 H ALA 95 H ALA 95 5.921 -2.845 -14.039 760 HA ALA 95 HA ALA 95 5.342 -5.672 -13.909 761 HB1 ALA 95 HB1 ALA 95 5.554 -5.646 -16.321 762 HB2 ALA 95 HB2 ALA 95 6.222 -4.015 -16.265 763 HB3 ALA 95 HB3 ALA 95 4.548 -4.298 -15.787 764 H GLU 96 H GLU 96 7.979 -4.169 -12.903 765 HA GLU 96 HA GLU 96 10.032 -5.692 -14.190 766 HB2 GLU 96 HB2 GLU 96 9.894 -3.979 -11.734 767 HB3 GLU 96 HB3 GLU 96 11.316 -4.967 -12.048 768 HG2 GLU 96 HG2 GLU 96 10.200 -2.951 -13.979 769 HG3 GLU 96 HG3 GLU 96 11.480 -2.603 -12.821 770 H VAL 97 H VAL 97 7.990 -6.105 -11.365 771 HA VAL 97 HA VAL 97 9.180 -8.765 -10.980 772 HB VAL 97 HB VAL 97 8.097 -8.716 -8.702 773 HG11 VAL 97 HG11 VAL 97 10.200 -6.648 -9.315 774 HG12 VAL 97 HG12 VAL 97 10.476 -8.369 -9.042 775 HG13 VAL 97 HG13 VAL 97 9.877 -7.352 -7.731 776 HG21 VAL 97 HG21 VAL 97 6.485 -6.919 -9.075 777 HG22 VAL 97 HG22 VAL 97 7.804 -5.776 -9.335 778 HG23 VAL 97 HG23 VAL 97 7.578 -6.516 -7.748 779 H LEU 98 H LEU 98 6.235 -7.064 -11.703 780 HA LEU 98 HA LEU 98 4.925 -9.674 -12.052 781 HB2 LEU 98 HB2 LEU 98 4.052 -8.333 -10.081 782 HB3 LEU 98 HB3 LEU 98 3.488 -7.143 -11.235 783 HG LEU 98 HG LEU 98 2.024 -8.879 -12.259 784 HD11 LEU 98 HD11 LEU 98 1.615 -10.953 -11.019 785 HD12 LEU 98 HD12 LEU 98 2.922 -10.544 -9.906 786 HD13 LEU 98 HD13 LEU 98 3.276 -10.864 -11.604 787 HD21 LEU 98 HD21 LEU 98 1.162 -7.318 -10.590 788 HD22 LEU 98 HD22 LEU 98 1.629 -8.428 -9.302 789 HD23 LEU 98 HD23 LEU 98 0.380 -8.892 -10.456 790 HA PRO 99 HA PRO 99 5.077 -7.297 -16.000 791 HB2 PRO 99 HB2 PRO 99 6.116 -9.197 -17.581 792 HB3 PRO 99 HB3 PRO 99 7.109 -8.273 -16.448 793 HG2 PRO 99 HG2 PRO 99 6.101 -11.064 -16.248 794 HG3 PRO 99 HG3 PRO 99 7.628 -10.374 -15.676 795 HD2 PRO 99 HD2 PRO 99 5.350 -10.878 -14.121 796 HD3 PRO 99 HD3 PRO 99 6.739 -9.882 -13.651 797 H ASN 100 H ASN 100 3.012 -9.497 -14.925 798 HA ASN 100 HA ASN 100 1.676 -9.916 -17.514 799 HB2 ASN 100 HB2 ASN 100 0.695 -11.969 -16.510 800 HB3 ASN 100 HB3 ASN 100 2.453 -12.038 -16.600 801 HD21 ASN 100 HD21 ASN 100 -0.311 -11.881 -14.497 802 HD22 ASN 100 HD22 ASN 100 0.542 -12.196 -13.026 803 H TYR 101 H TYR 101 1.499 -7.818 -15.172 804 HA TYR 101 HA TYR 101 -1.067 -8.375 -14.023 805 HB2 TYR 101 HB2 TYR 101 -0.737 -6.604 -12.584 806 HB3 TYR 101 HB3 TYR 101 0.902 -7.124 -12.913 807 HD1 TYR 101 HD1 TYR 101 2.332 -5.709 -14.475 808 HD2 TYR 101 HD2 TYR 101 -1.462 -4.439 -13.036 809 HE1 TYR 101 HE1 TYR 101 2.915 -3.375 -14.992 810 HE2 TYR 101 HE2 TYR 101 -0.892 -2.115 -13.555 811 HH TYR 101 HH TYR 101 1.024 -0.735 -13.873 812 H ASP 102 H ASP 102 -2.883 -6.820 -14.090 813 HA ASP 102 HA ASP 102 -3.274 -6.134 -16.920 814 HB2 ASP 102 HB2 ASP 102 -5.174 -7.347 -14.920 815 HB3 ASP 102 HB3 ASP 102 -5.699 -6.710 -16.476 816 H ARG 103 H ARG 103 -3.618 -4.159 -17.372 817 HA ARG 103 HA ARG 103 -3.650 -2.087 -15.477 818 HB2 ARG 103 HB2 ARG 103 -2.634 -1.718 -17.573 819 HB3 ARG 103 HB3 ARG 103 -4.064 -2.225 -18.450 820 HG2 ARG 103 HG2 ARG 103 -5.220 -0.177 -17.689 821 HG3 ARG 103 HG3 ARG 103 -3.726 0.339 -16.903 822 HD2 ARG 103 HD2 ARG 103 -4.191 1.296 -19.202 823 HD3 ARG 103 HD3 ARG 103 -2.603 0.576 -18.953 824 HE ARG 103 HE ARG 103 -3.142 -1.114 -20.439 825 HH11 ARG 103 HH11 ARG 103 -6.013 0.857 -19.863 826 HH12 ARG 103 HH12 ARG 103 -6.873 0.194 -21.216 827 HH21 ARG 103 HH21 ARG 103 -4.278 -1.949 -22.207 828 HH22 ARG 103 HH22 ARG 103 -5.891 -1.404 -22.543 829 H ASP 104 H ASP 104 -6.294 -3.564 -17.317 830 HA ASP 104 HA ASP 104 -8.218 -1.528 -16.681 831 HB2 ASP 104 HB2 ASP 104 -8.509 -4.281 -17.862 832 HB3 ASP 104 HB3 ASP 104 -9.869 -3.191 -17.604 833 H ARG 105 H ARG 105 -7.001 -4.162 -14.921 834 HA ARG 105 HA ARG 105 -9.432 -4.334 -13.285 835 HB2 ARG 105 HB2 ARG 105 -7.019 -6.127 -13.438 836 HB3 ARG 105 HB3 ARG 105 -8.205 -6.258 -12.157 837 HG2 ARG 105 HG2 ARG 105 -8.794 -7.925 -13.659 838 HG3 ARG 105 HG3 ARG 105 -9.917 -6.618 -14.021 839 HD2 ARG 105 HD2 ARG 105 -9.109 -6.350 -16.098 840 HD3 ARG 105 HD3 ARG 105 -7.436 -6.519 -15.564 841 HE ARG 105 HE ARG 105 -8.475 -9.045 -15.414 842 HH11 ARG 105 HH11 ARG 105 -8.205 -6.676 -17.996 843 HH12 ARG 105 HH12 ARG 105 -7.985 -7.871 -19.229 844 HH21 ARG 105 HH21 ARG 105 -8.159 -10.591 -17.031 845 HH22 ARG 105 HH22 ARG 105 -7.957 -10.096 -18.684 846 H VAL 106 H VAL 106 -6.034 -3.451 -13.178 847 HA VAL 106 HA VAL 106 -6.170 -2.984 -10.306 848 HB VAL 106 HB VAL 106 -3.798 -2.581 -10.329 849 HG11 VAL 106 HG11 VAL 106 -2.959 -4.705 -11.249 850 HG12 VAL 106 HG12 VAL 106 -4.499 -4.937 -12.075 851 HG13 VAL 106 HG13 VAL 106 -4.439 -4.905 -10.311 852 HG21 VAL 106 HG21 VAL 106 -2.441 -2.628 -12.368 853 HG22 VAL 106 HG22 VAL 106 -3.592 -1.289 -12.378 854 HG23 VAL 106 HG23 VAL 106 -3.911 -2.733 -13.339 855 H HIS 107 H HIS 107 -6.805 -1.231 -13.089 856 HA HIS 107 HA HIS 107 -7.445 0.885 -13.513 857 HB2 HIS 107 HB2 HIS 107 -8.155 0.826 -11.015 858 HB3 HIS 107 HB3 HIS 107 -6.732 1.820 -10.740 859 HD1 HIS 107 HD1 HIS 107 -8.213 3.798 -9.983 860 HD2 HIS 107 HD2 HIS 107 -8.890 2.586 -13.895 861 HE1 HIS 107 HE1 HIS 107 -9.604 5.616 -11.024 862 HE2 HIS 107 HE2 HIS 107 -9.755 4.979 -13.454 863 H ASN 108 H ASN 108 -4.393 0.041 -12.513 864 HA ASN 108 HA ASN 108 -2.305 0.563 -13.046 865 HB2 ASN 108 HB2 ASN 108 -3.254 1.190 -15.311 866 HB3 ASN 108 HB3 ASN 108 -3.202 2.862 -14.765 867 HD21 ASN 108 HD21 ASN 108 -1.682 3.439 -16.325 868 HD22 ASN 108 HD22 ASN 108 -0.024 2.950 -16.224 869 H GLY 109 H GLY 109 -4.119 3.616 -12.454 870 HA2 GLY 109 HA2 GLY 109 -1.836 4.844 -11.192 871 HA3 GLY 109 HA3 GLY 109 -3.462 5.500 -11.272 872 H ASP 110 H ASP 110 -3.547 2.389 -10.080 873 HA ASP 110 HA ASP 110 -4.000 3.107 -7.337 874 HB2 ASP 110 HB2 ASP 110 -4.884 1.109 -8.898 875 HB3 ASP 110 HB3 ASP 110 -3.499 0.299 -8.170 876 H ILE 111 H ILE 111 -1.345 2.161 -9.291 877 HA ILE 111 HA ILE 111 0.426 1.347 -7.208 878 HB ILE 111 HB ILE 111 1.376 2.407 -9.865 879 HG12 ILE 111 HG12 ILE 111 -0.355 0.840 -10.495 880 HG13 ILE 111 HG13 ILE 111 1.213 0.104 -10.792 881 HG21 ILE 111 HG21 ILE 111 3.166 0.752 -9.567 882 HG22 ILE 111 HG22 ILE 111 2.457 0.267 -8.027 883 HG23 ILE 111 HG23 ILE 111 3.098 1.899 -8.230 884 HD11 ILE 111 HD11 ILE 111 -0.614 -0.476 -8.473 885 HD12 ILE 111 HD12 ILE 111 0.964 -1.215 -8.742 886 HD13 ILE 111 HD13 ILE 111 -0.352 -1.501 -9.883 887 H LYS 112 H LYS 112 -0.503 4.399 -8.659 888 HA LYS 112 HA LYS 112 1.695 5.925 -7.682 889 HB2 LYS 112 HB2 LYS 112 -1.045 6.722 -8.639 890 HB3 LYS 112 HB3 LYS 112 0.131 7.894 -8.066 891 HG2 LYS 112 HG2 LYS 112 0.570 5.992 -10.354 892 HG3 LYS 112 HG3 LYS 112 0.088 7.685 -10.512 893 HD2 LYS 112 HD2 LYS 112 2.167 8.312 -9.295 894 HD3 LYS 112 HD3 LYS 112 2.654 6.616 -9.345 895 HE2 LYS 112 HE2 LYS 112 3.728 7.758 -11.157 896 HE3 LYS 112 HE3 LYS 112 2.479 6.707 -11.828 897 HZ1 LYS 112 HZ1 LYS 112 2.256 9.636 -11.391 898 HZ2 LYS 112 HZ2 LYS 112 1.014 8.647 -11.981 899 HZ3 LYS 112 HZ3 LYS 112 2.430 8.861 -12.887 900 H LYS 113 H LYS 113 -1.486 5.146 -6.328 901 HA LYS 113 HA LYS 113 -1.128 6.801 -4.010 902 HB2 LYS 113 HB2 LYS 113 -3.142 5.874 -3.172 903 HB3 LYS 113 HB3 LYS 113 -3.373 5.951 -4.911 904 HG2 LYS 113 HG2 LYS 113 -2.802 3.545 -5.054 905 HG3 LYS 113 HG3 LYS 113 -2.671 3.506 -3.298 906 HD2 LYS 113 HD2 LYS 113 -5.083 4.387 -3.286 907 HD3 LYS 113 HD3 LYS 113 -5.120 3.909 -4.987 908 HE2 LYS 113 HE2 LYS 113 -4.318 1.636 -4.225 909 HE3 LYS 113 HE3 LYS 113 -4.657 2.171 -2.578 910 HZ1 LYS 113 HZ1 LYS 113 -6.605 1.961 -4.804 911 HZ2 LYS 113 HZ2 LYS 113 -6.963 2.562 -3.257 912 HZ3 LYS 113 HZ3 LYS 113 -6.508 0.945 -3.455 913 H LEU 114 H LEU 114 -0.239 3.605 -4.968 914 HA LEU 114 HA LEU 114 0.481 2.553 -2.457 915 HB2 LEU 114 HB2 LEU 114 0.162 0.929 -4.092 916 HB3 LEU 114 HB3 LEU 114 1.019 1.833 -5.315 917 HG LEU 114 HG LEU 114 2.620 0.679 -3.066 918 HD11 LEU 114 HD11 LEU 114 1.568 -0.911 -5.403 919 HD12 LEU 114 HD12 LEU 114 1.115 -1.142 -3.715 920 HD13 LEU 114 HD13 LEU 114 2.771 -1.456 -4.234 921 HD21 LEU 114 HD21 LEU 114 3.060 0.925 -6.038 922 HD22 LEU 114 HD22 LEU 114 4.242 0.353 -4.855 923 HD23 LEU 114 HD23 LEU 114 3.680 2.028 -4.811 924 H ILE 115 H ILE 115 2.269 4.477 -4.867 925 HA ILE 115 HA ILE 115 4.862 4.191 -3.807 926 HB ILE 115 HB ILE 115 3.788 6.636 -5.246 927 HG12 ILE 115 HG12 ILE 115 3.473 4.623 -6.607 928 HG13 ILE 115 HG13 ILE 115 4.703 5.668 -7.303 929 HG21 ILE 115 HG21 ILE 115 6.634 5.691 -4.900 930 HG22 ILE 115 HG22 ILE 115 5.905 7.107 -4.141 931 HG23 ILE 115 HG23 ILE 115 6.123 7.058 -5.892 932 HD11 ILE 115 HD11 ILE 115 5.330 3.322 -7.463 933 HD12 ILE 115 HD12 ILE 115 5.211 3.154 -5.711 934 HD13 ILE 115 HD13 ILE 115 6.448 4.197 -6.417 935 H SER 116 H SER 116 2.254 6.385 -2.941 936 HA SER 116 HA SER 116 3.648 8.130 -1.235 937 HB2 SER 116 HB2 SER 116 1.363 8.538 -2.088 938 HB3 SER 116 HB3 SER 116 0.766 7.230 -1.074 939 HG SER 116 HG SER 116 1.048 8.441 0.693 940 H TRP 117 H TRP 117 2.077 5.017 -0.628 941 HA TRP 117 HA TRP 117 2.588 5.129 2.215 942 HB2 TRP 117 HB2 TRP 117 1.547 2.839 0.528 943 HB3 TRP 117 HB3 TRP 117 1.504 2.938 2.287 944 HD1 TRP 117 HD1 TRP 117 0.457 5.957 2.504 945 HE1 TRP 117 HE1 TRP 117 -1.983 6.485 1.912 946 HE3 TRP 117 HE3 TRP 117 -0.597 1.838 -0.367 947 HZ2 TRP 117 HZ2 TRP 117 -4.080 5.323 0.457 948 HZ3 TRP 117 HZ3 TRP 117 -2.860 1.633 -1.301 949 HH2 TRP 117 HH2 TRP 117 -4.561 3.335 -0.897 950 H TYR 118 H TYR 118 3.854 3.503 -0.585 951 HA TYR 118 HA TYR 118 5.629 1.659 0.535 952 HB2 TYR 118 HB2 TYR 118 4.867 1.548 -1.727 953 HB3 TYR 118 HB3 TYR 118 5.488 3.142 -2.085 954 HD1 TYR 118 HD1 TYR 118 7.288 0.209 -0.545 955 HD2 TYR 118 HD2 TYR 118 6.817 2.827 -3.864 956 HE1 TYR 118 HE1 TYR 118 9.274 -0.780 -1.614 957 HE2 TYR 118 HE2 TYR 118 8.773 1.843 -4.945 958 HH TYR 118 HH TYR 118 10.186 -1.007 -4.010 959 H ASN 119 H ASN 119 6.034 5.072 -0.273 960 HA ASN 119 HA ASN 119 8.789 5.290 0.304 961 HB2 ASN 119 HB2 ASN 119 7.630 7.013 -0.961 962 HB3 ASN 119 HB3 ASN 119 6.570 7.346 0.402 963 HD21 ASN 119 HD21 ASN 119 9.827 7.661 -0.838 964 HD22 ASN 119 HD22 ASN 119 10.327 8.909 0.248 965 H ILE 120 H ILE 120 5.910 5.792 2.291 966 HA ILE 120 HA ILE 120 7.309 6.669 4.610 967 HB ILE 120 HB ILE 120 4.436 5.853 4.154 968 HG12 ILE 120 HG12 ILE 120 5.760 8.552 4.497 969 HG13 ILE 120 HG13 ILE 120 5.283 7.847 2.960 970 HG21 ILE 120 HG21 ILE 120 4.960 5.535 6.530 971 HG22 ILE 120 HG22 ILE 120 3.872 6.902 6.285 972 HG23 ILE 120 HG23 ILE 120 5.585 7.184 6.613 973 HD11 ILE 120 HD11 ILE 120 2.947 7.934 3.643 974 HD12 ILE 120 HD12 ILE 120 3.703 9.527 3.699 975 HD13 ILE 120 HD13 ILE 120 3.425 8.630 5.192 976 H LEU 121 H LEU 121 6.137 3.535 3.530 977 HA LEU 121 HA LEU 121 6.406 2.114 5.937 978 HB2 LEU 121 HB2 LEU 121 6.488 1.273 3.059 979 HB3 LEU 121 HB3 LEU 121 6.674 0.116 4.364 980 HG LEU 121 HG LEU 121 4.282 1.928 4.268 981 HD11 LEU 121 HD11 LEU 121 4.557 -0.737 2.902 982 HD12 LEU 121 HD12 LEU 121 4.386 0.826 2.102 983 HD13 LEU 121 HD13 LEU 121 3.066 0.188 3.083 984 HD21 LEU 121 HD21 LEU 121 4.714 0.676 6.323 985 HD22 LEU 121 HD22 LEU 121 4.732 -0.827 5.400 986 HD23 LEU 121 HD23 LEU 121 3.248 0.118 5.519 987 H VAL 122 H VAL 122 8.796 2.587 3.305 988 HA VAL 122 HA VAL 122 10.875 1.283 4.803 989 HB VAL 122 HB VAL 122 11.520 3.227 2.608 990 HG11 VAL 122 HG11 VAL 122 12.679 0.560 3.410 991 HG12 VAL 122 HG12 VAL 122 13.341 2.142 3.823 992 HG13 VAL 122 HG13 VAL 122 13.295 1.618 2.139 993 HG21 VAL 122 HG21 VAL 122 11.173 1.480 0.930 994 HG22 VAL 122 HG22 VAL 122 9.656 1.910 1.722 995 HG23 VAL 122 HG23 VAL 122 10.495 0.421 2.167 996 H ASN 123 H ASN 123 9.521 4.446 4.851 997 HA ASN 123 HA ASN 123 11.799 6.020 5.439 998 HB2 ASN 123 HB2 ASN 123 9.597 6.811 4.492 999 HB3 ASN 123 HB3 ASN 123 8.910 6.625 6.095 1000 HD21 ASN 123 HD21 ASN 123 11.138 8.432 4.128 1001 HD22 ASN 123 HD22 ASN 123 11.251 9.803 5.176 1002 H ASN 124 H ASN 124 9.258 4.639 7.516 1003 HA ASN 124 HA ASN 124 10.677 5.629 9.877 1004 HB2 ASN 124 HB2 ASN 124 8.058 4.137 9.942 1005 HB3 ASN 124 HB3 ASN 124 8.695 5.278 11.120 1006 HD21 ASN 124 HD21 ASN 124 8.987 7.532 10.265 1007 HD22 ASN 124 HD22 ASN 124 7.747 8.133 9.223 1008 H GLY 125 H GLY 125 11.238 3.140 8.060 1009 HA2 GLY 125 HA2 GLY 125 12.176 1.074 8.341 1010 HA3 GLY 125 HA3 GLY 125 12.371 1.505 10.032 1011 H ILE 126 H ILE 126 9.344 1.166 8.237 1012 HA ILE 126 HA ILE 126 8.244 -0.609 10.197 1013 HB ILE 126 HB ILE 126 7.089 -0.005 7.461 1014 HG12 ILE 126 HG12 ILE 126 6.608 1.514 10.053 1015 HG13 ILE 126 HG13 ILE 126 7.631 2.096 8.745 1016 HG21 ILE 126 HG21 ILE 126 5.802 -0.870 10.053 1017 HG22 ILE 126 HG22 ILE 126 6.057 -1.878 8.626 1018 HG23 ILE 126 HG23 ILE 126 4.954 -0.504 8.551 1019 HD11 ILE 126 HD11 ILE 126 5.439 3.151 8.710 1020 HD12 ILE 126 HD12 ILE 126 4.673 1.569 8.557 1021 HD13 ILE 126 HD13 ILE 126 5.705 2.177 7.263 1022 H THR 127 H THR 127 8.305 -1.138 6.700 1023 HA THR 127 HA THR 127 8.698 -2.889 5.360 1024 HB THR 127 HB THR 127 10.886 -1.844 5.544 1025 HG1 THR 127 HG1 THR 127 11.072 -4.679 5.379 1026 HG21 THR 127 HG21 THR 127 11.572 -3.913 7.640 1027 HG22 THR 127 HG22 THR 127 11.403 -2.178 7.916 1028 HG23 THR 127 HG23 THR 127 12.700 -2.785 6.887 1029 H GLU 128 H GLU 128 6.966 -3.838 7.160 1030 HA GLU 128 HA GLU 128 8.021 -6.424 8.044 1031 HB2 GLU 128 HB2 GLU 128 6.065 -6.469 9.546 1032 HB3 GLU 128 HB3 GLU 128 7.161 -5.152 9.870 1033 HG2 GLU 128 HG2 GLU 128 5.631 -3.617 8.767 1034 HG3 GLU 128 HG3 GLU 128 4.546 -4.961 8.392 1035 H PHE 129 H PHE 129 6.848 -5.526 5.381 1036 HA PHE 129 HA PHE 129 4.744 -7.546 5.063 1037 HB2 PHE 129 HB2 PHE 129 4.365 -6.282 2.832 1038 HB3 PHE 129 HB3 PHE 129 3.856 -5.489 4.319 1039 HD1 PHE 129 HD1 PHE 129 5.215 -3.665 5.265 1040 HD2 PHE 129 HD2 PHE 129 6.053 -5.316 1.435 1041 HE1 PHE 129 HE1 PHE 129 6.600 -1.733 4.757 1042 HE2 PHE 129 HE2 PHE 129 7.445 -3.359 0.905 1043 HZ PHE 129 HZ PHE 129 7.725 -1.562 2.564 1044 H VAL 130 H VAL 130 7.987 -6.902 4.463 1045 HA VAL 130 HA VAL 130 8.197 -8.443 2.034 1046 HB VAL 130 HB VAL 130 9.631 -6.466 2.356 1047 HG11 VAL 130 HG11 VAL 130 9.993 -6.550 4.734 1048 HG12 VAL 130 HG12 VAL 130 11.534 -6.507 3.877 1049 HG13 VAL 130 HG13 VAL 130 10.949 -8.023 4.561 1050 HG21 VAL 130 HG21 VAL 130 11.217 -9.020 2.165 1051 HG22 VAL 130 HG22 VAL 130 11.764 -7.423 1.649 1052 HG23 VAL 130 HG23 VAL 130 10.399 -8.194 0.839 1053 H GLU 131 H GLU 131 9.185 -10.462 1.816 1054 HA GLU 131 HA GLU 131 8.466 -12.351 3.746 1055 HB2 GLU 131 HB2 GLU 131 9.706 -13.995 2.342 1056 HB3 GLU 131 HB3 GLU 131 8.583 -12.995 1.438 1057 HG2 GLU 131 HG2 GLU 131 10.392 -11.657 0.571 1058 HG3 GLU 131 HG3 GLU 131 11.555 -12.517 1.576 1059 H ALA 132 H ALA 132 11.704 -11.118 2.951 1060 HA ALA 132 HA ALA 132 12.470 -11.701 5.717 1061 HB1 ALA 132 HB1 ALA 132 14.230 -12.140 3.296 1062 HB2 ALA 132 HB2 ALA 132 13.549 -13.405 4.320 1063 HB3 ALA 132 HB3 ALA 132 14.744 -12.285 4.977 1064 HA PRO 133 HA PRO 133 13.163 -7.244 5.230 1065 HB2 PRO 133 HB2 PRO 133 13.948 -7.527 8.071 1066 HB3 PRO 133 HB3 PRO 133 12.771 -6.434 7.332 1067 HG2 PRO 133 HG2 PRO 133 11.963 -8.518 8.781 1068 HG3 PRO 133 HG3 PRO 133 11.099 -8.047 7.304 1069 HD2 PRO 133 HD2 PRO 133 13.079 -10.265 7.714 1070 HD3 PRO 133 HD3 PRO 133 11.540 -10.285 6.823 1071 H ALA 134 H ALA 134 14.959 -5.975 5.058 1072 HA ALA 134 HA ALA 134 17.390 -7.359 4.516 1073 HB1 ALA 134 HB1 ALA 134 16.831 -4.397 4.495 1074 HB2 ALA 134 HB2 ALA 134 16.578 -5.505 3.146 1075 HB3 ALA 134 HB3 ALA 134 18.209 -5.208 3.747 1076 H LEU 135 H LEU 135 16.214 -5.938 7.352 1077 HA LEU 135 HA LEU 135 18.897 -5.523 8.470 1078 HB2 LEU 135 HB2 LEU 135 16.189 -4.747 9.577 1079 HB3 LEU 135 HB3 LEU 135 17.720 -4.431 10.359 1080 HG LEU 135 HG LEU 135 18.209 -3.113 8.109 1081 HD11 LEU 135 HD11 LEU 135 16.107 -3.714 7.010 1082 HD12 LEU 135 HD12 LEU 135 16.223 -1.975 7.276 1083 HD13 LEU 135 HD13 LEU 135 15.203 -2.960 8.324 1084 HD21 LEU 135 HD21 LEU 135 17.432 -1.092 9.230 1085 HD22 LEU 135 HD22 LEU 135 18.240 -2.181 10.358 1086 HD23 LEU 135 HD23 LEU 135 16.480 -2.070 10.345 1087 H GLU 136 H GLU 136 16.825 -7.995 8.118 1088 HA GLU 136 HA GLU 136 16.969 -8.908 10.911 1089 HB2 GLU 136 HB2 GLU 136 14.685 -8.385 10.157 1090 HB3 GLU 136 HB3 GLU 136 14.869 -9.491 8.808 1091 HG2 GLU 136 HG2 GLU 136 13.553 -10.587 10.431 1092 HG3 GLU 136 HG3 GLU 136 15.145 -11.336 10.471 1093 H HIS 137 H HIS 137 17.675 -10.877 11.366 1094 HA HIS 137 HA HIS 137 17.732 -12.978 9.378 1095 HB2 HIS 137 HB2 HIS 137 20.107 -13.652 9.939 1096 HB3 HIS 137 HB3 HIS 137 19.965 -12.208 8.963 1097 HD1 HIS 137 HD1 HIS 137 21.356 -13.469 12.136 1098 HD2 HIS 137 HD2 HIS 137 20.649 -9.779 10.351 1099 HE1 HIS 137 HE1 HIS 137 22.668 -11.803 13.486 1100 HE2 HIS 137 HE2 HIS 137 22.398 -9.624 12.249 1101 H HIS 138 H HIS 138 18.480 -11.963 12.685 1102 HA HIS 138 HA HIS 138 18.177 -12.831 14.725 1103 HB2 HIS 138 HB2 HIS 138 15.862 -13.836 13.199 1104 HB3 HIS 138 HB3 HIS 138 16.194 -14.689 14.702 1105 HD1 HIS 138 HD1 HIS 138 13.656 -13.381 14.917 1106 HD2 HIS 138 HD2 HIS 138 17.154 -11.210 15.500 1107 HE1 HIS 138 HE1 HIS 138 12.988 -11.372 16.276 1108 HE2 HIS 138 HE2 HIS 138 15.068 -9.975 16.400 1109 H HIS 139 H HIS 139 17.727 -15.153 15.938 1110 HA HIS 139 HA HIS 139 19.676 -17.014 14.745 1111 HB2 HIS 139 HB2 HIS 139 19.999 -17.966 17.025 1112 HB3 HIS 139 HB3 HIS 139 20.488 -16.290 16.891 1113 HD1 HIS 139 HD1 HIS 139 19.721 -14.817 18.714 1114 HD2 HIS 139 HD2 HIS 139 17.366 -18.233 18.435 1115 HE1 HIS 139 HE1 HIS 139 18.178 -14.737 20.697 1116 HE2 HIS 139 HE2 HIS 139 16.821 -16.850 20.562 1117 H HIS 140 H HIS 140 16.914 -16.802 14.007 1118 HA HIS 140 HA HIS 140 15.538 -19.088 15.129 1119 HB2 HIS 140 HB2 HIS 140 14.405 -16.912 14.461 1120 HB3 HIS 140 HB3 HIS 140 14.683 -17.369 12.788 1121 HD1 HIS 140 HD1 HIS 140 12.209 -17.546 12.215 1122 HD2 HIS 140 HD2 HIS 140 13.339 -20.008 15.368 1123 HE1 HIS 140 HE1 HIS 140 10.250 -19.071 12.609 1124 HE2 HIS 140 HE2 HIS 140 11.034 -20.677 14.383 1125 H HIS 141 H HIS 141 16.540 -20.909 14.567 1126 HA HIS 141 HA HIS 141 16.573 -21.723 11.782 1127 HB2 HIS 141 HB2 HIS 141 18.776 -20.626 12.119 1128 HB3 HIS 141 HB3 HIS 141 19.089 -21.692 13.482 1129 HD1 HIS 141 HD1 HIS 141 18.510 -21.934 9.726 1130 HD2 HIS 141 HD2 HIS 141 20.429 -23.954 12.808 1131 HE1 HIS 141 HE1 HIS 141 19.737 -23.836 8.626 1132 HE2 HIS 141 HE2 HIS 141 20.741 -25.140 10.527 1133 H HIS 142 H HIS 142 15.979 -23.803 11.635 1134 HA HIS 142 HA HIS 142 16.443 -25.515 13.968 1135 HB2 HIS 142 HB2 HIS 142 14.307 -26.588 13.773 1136 HB3 HIS 142 HB3 HIS 142 14.029 -24.862 13.851 1137 HD1 HIS 142 HD1 HIS 142 12.583 -27.594 12.359 1138 HD2 HIS 142 HD2 HIS 142 13.916 -23.979 10.795 1139 HE1 HIS 142 HE1 HIS 142 11.325 -27.285 10.201 1140 HE2 HIS 142 HE2 HIS 142 12.330 -25.228 9.172 Start of MODEL 11 1 H1 MET 1 H1 MET 1 0.427 -6.800 12.926 2 H2 MET 1 H2 MET 1 1.844 -6.957 12.009 3 H3 MET 1 H3 MET 1 1.510 -8.065 13.247 4 HA MET 1 HA MET 1 1.064 -9.058 11.121 5 HB2 MET 1 HB2 MET 1 -0.438 -9.320 13.262 6 HB3 MET 1 HB3 MET 1 -1.622 -8.420 12.329 7 HG2 MET 1 HG2 MET 1 -1.436 -10.159 10.552 8 HG3 MET 1 HG3 MET 1 -0.406 -11.084 11.643 9 HE1 MET 1 HE1 MET 1 -3.994 -9.740 10.902 10 HE2 MET 1 HE2 MET 1 -3.621 -8.913 12.414 11 HE3 MET 1 HE3 MET 1 -4.868 -10.161 12.376 12 H LEU 2 H LEU 2 -0.822 -9.067 9.398 13 HA LEU 2 HA LEU 2 -0.840 -6.550 8.020 14 HB2 LEU 2 HB2 LEU 2 -2.088 -9.232 7.442 15 HB3 LEU 2 HB3 LEU 2 -2.434 -7.832 6.454 16 HG LEU 2 HG LEU 2 0.116 -7.694 6.092 17 HD11 LEU 2 HD11 LEU 2 0.808 -9.281 7.812 18 HD12 LEU 2 HD12 LEU 2 1.306 -9.821 6.209 19 HD13 LEU 2 HD13 LEU 2 -0.086 -10.564 6.997 20 HD21 LEU 2 HD21 LEU 2 -1.477 -8.277 4.374 21 HD22 LEU 2 HD22 LEU 2 -1.518 -9.945 4.948 22 HD23 LEU 2 HD23 LEU 2 -0.039 -9.291 4.243 23 H LYS 3 H LYS 3 -2.913 -5.664 7.136 24 HA LYS 3 HA LYS 3 -4.933 -4.667 7.306 25 HB2 LYS 3 HB2 LYS 3 -5.691 -7.070 7.723 26 HB3 LYS 3 HB3 LYS 3 -5.720 -6.671 9.430 27 HG2 LYS 3 HG2 LYS 3 -7.391 -4.932 8.981 28 HG3 LYS 3 HG3 LYS 3 -7.371 -5.372 7.272 29 HD2 LYS 3 HD2 LYS 3 -8.157 -7.604 7.806 30 HD3 LYS 3 HD3 LYS 3 -8.105 -7.233 9.532 31 HE2 LYS 3 HE2 LYS 3 -9.807 -5.524 9.238 32 HE3 LYS 3 HE3 LYS 3 -9.820 -5.812 7.499 33 HZ1 LYS 3 HZ1 LYS 3 -10.625 -8.041 7.889 34 HZ2 LYS 3 HZ2 LYS 3 -11.663 -6.917 8.620 35 HZ3 LYS 3 HZ3 LYS 3 -10.575 -7.805 9.565 36 H THR 4 H THR 4 -2.624 -4.385 9.371 37 HA THR 4 HA THR 4 -4.046 -2.997 11.535 38 HB THR 4 HB THR 4 -1.104 -3.724 11.362 39 HG1 THR 4 HG1 THR 4 -3.159 -5.337 11.649 40 HG21 THR 4 HG21 THR 4 -1.118 -3.398 13.795 41 HG22 THR 4 HG22 THR 4 -2.815 -2.921 13.724 42 HG23 THR 4 HG23 THR 4 -1.584 -1.919 12.955 43 H ILE 5 H ILE 5 -1.692 -2.509 8.980 44 HA ILE 5 HA ILE 5 -1.385 0.296 9.545 45 HB ILE 5 HB ILE 5 -0.304 -1.608 7.519 46 HG12 ILE 5 HG12 ILE 5 0.832 -1.214 9.691 47 HG13 ILE 5 HG13 ILE 5 1.843 -0.885 8.292 48 HG21 ILE 5 HG21 ILE 5 0.818 0.188 6.274 49 HG22 ILE 5 HG22 ILE 5 -0.174 1.366 7.134 50 HG23 ILE 5 HG23 ILE 5 -0.935 0.179 6.069 51 HD11 ILE 5 HD11 ILE 5 1.460 1.519 8.588 52 HD12 ILE 5 HD12 ILE 5 2.172 0.786 10.026 53 HD13 ILE 5 HD13 ILE 5 0.454 1.178 9.996 54 H LEU 6 H LEU 6 -2.639 1.856 8.820 55 HA LEU 6 HA LEU 6 -4.742 1.209 6.872 56 HB2 LEU 6 HB2 LEU 6 -4.608 3.483 8.846 57 HB3 LEU 6 HB3 LEU 6 -5.938 3.145 7.764 58 HG LEU 6 HG LEU 6 -5.078 1.485 10.134 59 HD11 LEU 6 HD11 LEU 6 -7.540 3.127 9.573 60 HD12 LEU 6 HD12 LEU 6 -6.227 3.568 10.664 61 HD13 LEU 6 HD13 LEU 6 -7.240 2.170 11.022 62 HD21 LEU 6 HD21 LEU 6 -7.356 1.029 8.204 63 HD22 LEU 6 HD22 LEU 6 -7.037 0.106 9.673 64 HD23 LEU 6 HD23 LEU 6 -5.899 0.041 8.327 65 H SER 7 H SER 7 -5.036 2.419 5.132 66 HA SER 7 HA SER 7 -2.929 4.257 4.313 67 HB2 SER 7 HB2 SER 7 -5.285 3.122 2.772 68 HB3 SER 7 HB3 SER 7 -3.886 3.956 2.092 69 HG SER 7 HG SER 7 -2.610 2.218 3.026 70 H ILE 8 H ILE 8 -3.202 6.327 4.580 71 HA ILE 8 HA ILE 8 -5.901 7.498 4.726 72 HB ILE 8 HB ILE 8 -3.411 7.994 6.334 73 HG12 ILE 8 HG12 ILE 8 -5.257 8.492 8.088 74 HG13 ILE 8 HG13 ILE 8 -6.370 7.829 6.903 75 HG21 ILE 8 HG21 ILE 8 -4.171 10.212 7.077 76 HG22 ILE 8 HG22 ILE 8 -5.453 10.180 5.867 77 HG23 ILE 8 HG23 ILE 8 -3.764 10.210 5.359 78 HD11 ILE 8 HD11 ILE 8 -5.117 5.714 6.958 79 HD12 ILE 8 HD12 ILE 8 -5.783 6.163 8.529 80 HD13 ILE 8 HD13 ILE 8 -4.065 6.396 8.201 81 H ALA 9 H ALA 9 -6.369 9.158 3.320 82 HA ALA 9 HA ALA 9 -4.230 9.946 1.473 83 HB1 ALA 9 HB1 ALA 9 -7.201 10.397 1.198 84 HB2 ALA 9 HB2 ALA 9 -6.288 9.088 0.450 85 HB3 ALA 9 HB3 ALA 9 -5.971 10.758 -0.014 86 H GLY 10 H GLY 10 -3.164 11.318 2.879 87 HA2 GLY 10 HA2 GLY 10 -4.202 14.017 2.965 88 HA3 GLY 10 HA3 GLY 10 -3.990 13.264 4.542 89 H LYS 11 H LYS 11 -2.220 14.139 5.417 90 HA LYS 11 HA LYS 11 0.054 14.714 3.701 91 HB2 LYS 11 HB2 LYS 11 -0.530 15.480 6.556 92 HB3 LYS 11 HB3 LYS 11 1.000 15.831 5.759 93 HG2 LYS 11 HG2 LYS 11 -0.146 17.161 4.089 94 HG3 LYS 11 HG3 LYS 11 -1.704 16.766 4.811 95 HD2 LYS 11 HD2 LYS 11 -0.971 18.992 5.466 96 HD3 LYS 11 HD3 LYS 11 -1.046 17.920 6.864 97 HE2 LYS 11 HE2 LYS 11 0.957 19.359 6.876 98 HE3 LYS 11 HE3 LYS 11 1.361 17.645 6.826 99 HZ1 LYS 11 HZ1 LYS 11 1.819 17.827 4.479 100 HZ2 LYS 11 HZ2 LYS 11 2.725 18.986 5.315 101 HZ3 LYS 11 HZ3 LYS 11 1.338 19.452 4.462 102 HA PRO 12 HA PRO 12 2.003 11.155 6.100 103 HB2 PRO 12 HB2 PRO 12 0.495 10.355 8.439 104 HB3 PRO 12 HB3 PRO 12 2.147 10.974 8.363 105 HG2 PRO 12 HG2 PRO 12 0.105 12.354 9.504 106 HG3 PRO 12 HG3 PRO 12 1.492 13.143 8.725 107 HD2 PRO 12 HD2 PRO 12 -1.242 12.581 7.585 108 HD3 PRO 12 HD3 PRO 12 -0.306 14.096 7.547 109 H GLY 13 H GLY 13 1.518 9.590 4.687 110 HA2 GLY 13 HA2 GLY 13 -1.192 9.056 3.968 111 HA3 GLY 13 HA3 GLY 13 0.240 8.394 3.213 112 H LEU 14 H LEU 14 0.745 7.560 6.299 113 HA LEU 14 HA LEU 14 -1.099 5.292 6.336 114 HB2 LEU 14 HB2 LEU 14 1.902 5.046 6.553 115 HB3 LEU 14 HB3 LEU 14 0.777 3.776 6.989 116 HG LEU 14 HG LEU 14 0.971 4.938 4.211 117 HD11 LEU 14 HD11 LEU 14 3.066 3.912 4.846 118 HD12 LEU 14 HD12 LEU 14 2.214 2.939 3.645 119 HD13 LEU 14 HD13 LEU 14 2.209 2.453 5.340 120 HD21 LEU 14 HD21 LEU 14 -0.290 2.399 5.243 121 HD22 LEU 14 HD22 LEU 14 -0.217 2.915 3.558 122 HD23 LEU 14 HD23 LEU 14 -1.160 3.843 4.725 123 H TYR 15 H TYR 15 -1.633 4.571 8.306 124 HA TYR 15 HA TYR 15 -0.276 5.664 10.667 125 HB2 TYR 15 HB2 TYR 15 -3.199 5.850 9.999 126 HB3 TYR 15 HB3 TYR 15 -2.681 5.771 11.678 127 HD1 TYR 15 HD1 TYR 15 -1.235 7.572 12.592 128 HD2 TYR 15 HD2 TYR 15 -3.017 7.878 8.750 129 HE1 TYR 15 HE1 TYR 15 -0.888 9.996 12.631 130 HE2 TYR 15 HE2 TYR 15 -2.663 10.309 8.774 131 HH TYR 15 HH TYR 15 -0.690 11.858 11.040 132 H LYS 16 H LYS 16 -0.514 4.359 12.563 133 HA LYS 16 HA LYS 16 -1.077 1.546 11.945 134 HB2 LYS 16 HB2 LYS 16 0.348 2.888 14.238 135 HB3 LYS 16 HB3 LYS 16 -0.016 1.170 14.213 136 HG2 LYS 16 HG2 LYS 16 1.428 0.791 12.391 137 HG3 LYS 16 HG3 LYS 16 1.592 2.515 12.063 138 HD2 LYS 16 HD2 LYS 16 3.586 1.744 13.171 139 HD3 LYS 16 HD3 LYS 16 2.685 2.770 14.289 140 HE2 LYS 16 HE2 LYS 16 1.680 0.634 15.217 141 HE3 LYS 16 HE3 LYS 16 2.892 -0.232 14.271 142 HZ1 LYS 16 HZ1 LYS 16 3.626 0.109 16.537 143 HZ2 LYS 16 HZ2 LYS 16 3.449 1.790 16.375 144 HZ3 LYS 16 HZ3 LYS 16 4.623 0.966 15.462 145 H LEU 17 H LEU 17 -3.018 0.785 12.424 146 HA LEU 17 HA LEU 17 -4.807 2.221 14.192 147 HB2 LEU 17 HB2 LEU 17 -5.599 1.130 12.122 148 HB3 LEU 17 HB3 LEU 17 -5.177 -0.429 12.802 149 HG LEU 17 HG LEU 17 -6.807 0.159 14.701 150 HD11 LEU 17 HD11 LEU 17 -7.055 2.528 14.186 151 HD12 LEU 17 HD12 LEU 17 -8.604 1.687 14.092 152 HD13 LEU 17 HD13 LEU 17 -7.741 2.117 12.611 153 HD21 LEU 17 HD21 LEU 17 -7.782 -0.344 11.910 154 HD22 LEU 17 HD22 LEU 17 -8.717 -0.608 13.380 155 HD23 LEU 17 HD23 LEU 17 -7.254 -1.555 13.081 156 H ILE 18 H ILE 18 -4.776 1.949 16.304 157 HA ILE 18 HA ILE 18 -3.793 -0.471 17.541 158 HB ILE 18 HB ILE 18 -5.026 2.029 18.740 159 HG12 ILE 18 HG12 ILE 18 -2.427 1.740 19.658 160 HG13 ILE 18 HG13 ILE 18 -2.336 1.245 17.971 161 HG21 ILE 18 HG21 ILE 18 -3.793 -0.322 20.179 162 HG22 ILE 18 HG22 ILE 18 -5.497 0.135 20.195 163 HG23 ILE 18 HG23 ILE 18 -4.293 1.197 20.927 164 HD11 ILE 18 HD11 ILE 18 -1.853 3.607 18.252 165 HD12 ILE 18 HD12 ILE 18 -3.448 3.854 18.965 166 HD13 ILE 18 HD13 ILE 18 -3.301 3.352 17.281 167 H SER 19 H SER 19 -6.876 1.307 17.407 168 HA SER 19 HA SER 19 -8.368 -1.172 17.431 169 HB2 SER 19 HB2 SER 19 -8.652 0.872 19.651 170 HB3 SER 19 HB3 SER 19 -9.780 -0.449 19.366 171 HG SER 19 HG SER 19 -7.177 -1.279 19.521 172 H GLN 20 H GLN 20 -10.275 -0.948 16.332 173 HA GLN 20 HA GLN 20 -11.051 1.661 15.338 174 HB2 GLN 20 HB2 GLN 20 -12.275 -1.086 15.048 175 HB3 GLN 20 HB3 GLN 20 -13.035 0.367 14.409 176 HG2 GLN 20 HG2 GLN 20 -11.146 0.775 12.975 177 HG3 GLN 20 HG3 GLN 20 -10.286 -0.599 13.671 178 HE21 GLN 20 HE21 GLN 20 -12.895 0.404 11.608 179 HE22 GLN 20 HE22 GLN 20 -13.143 -1.126 10.850 180 H GLY 21 H GLY 21 -11.990 3.010 16.651 181 HA2 GLY 21 HA2 GLY 21 -13.227 2.078 19.104 182 HA3 GLY 21 HA3 GLY 21 -12.779 3.729 18.717 183 H LYS 22 H LYS 22 -14.481 4.922 18.861 184 HA LYS 22 HA LYS 22 -17.148 4.063 18.237 185 HB2 LYS 22 HB2 LYS 22 -16.277 5.748 20.030 186 HB3 LYS 22 HB3 LYS 22 -16.273 6.910 18.716 187 HG2 LYS 22 HG2 LYS 22 -18.677 6.546 18.398 188 HG3 LYS 22 HG3 LYS 22 -18.671 5.400 19.741 189 HD2 LYS 22 HD2 LYS 22 -17.862 8.305 19.950 190 HD3 LYS 22 HD3 LYS 22 -19.448 7.673 20.388 191 HE2 LYS 22 HE2 LYS 22 -18.458 6.295 22.114 192 HE3 LYS 22 HE3 LYS 22 -16.841 6.801 21.629 193 HZ1 LYS 22 HZ1 LYS 22 -17.654 7.989 23.593 194 HZ2 LYS 22 HZ2 LYS 22 -18.941 8.613 22.690 195 HZ3 LYS 22 HZ3 LYS 22 -17.348 9.040 22.300 196 H ASN 23 H ASN 23 -17.085 7.179 17.102 197 HA ASN 23 HA ASN 23 -17.134 6.450 14.301 198 HB2 ASN 23 HB2 ASN 23 -18.426 8.346 15.605 199 HB3 ASN 23 HB3 ASN 23 -16.969 9.279 15.320 200 HD21 ASN 23 HD21 ASN 23 -16.484 8.117 12.655 201 HD22 ASN 23 HD22 ASN 23 -17.684 8.817 11.625 202 H MET 24 H MET 24 -15.027 7.995 16.570 203 HA MET 24 HA MET 24 -12.868 8.477 14.723 204 HB2 MET 24 HB2 MET 24 -13.205 10.011 16.532 205 HB3 MET 24 HB3 MET 24 -13.234 8.711 17.709 206 HG2 MET 24 HG2 MET 24 -10.794 8.303 16.895 207 HG3 MET 24 HG3 MET 24 -10.916 9.972 16.332 208 HE1 MET 24 HE1 MET 24 -12.733 8.394 19.417 209 HE2 MET 24 HE2 MET 24 -11.557 8.674 20.705 210 HE3 MET 24 HE3 MET 24 -11.175 7.567 19.384 211 H LEU 25 H LEU 25 -11.308 7.066 14.244 212 HA LEU 25 HA LEU 25 -11.089 4.539 15.688 213 HB2 LEU 25 HB2 LEU 25 -9.436 5.462 13.318 214 HB3 LEU 25 HB3 LEU 25 -9.487 3.843 13.982 215 HG LEU 25 HG LEU 25 -10.687 3.675 12.017 216 HD11 LEU 25 HD11 LEU 25 -11.879 2.663 13.832 217 HD12 LEU 25 HD12 LEU 25 -13.004 3.291 12.623 218 HD13 LEU 25 HD13 LEU 25 -12.749 4.170 14.132 219 HD21 LEU 25 HD21 LEU 25 -10.881 6.009 11.424 220 HD22 LEU 25 HD22 LEU 25 -12.127 6.242 12.651 221 HD23 LEU 25 HD23 LEU 25 -12.441 5.202 11.262 222 H ILE 26 H ILE 26 -9.164 3.909 16.736 223 HA ILE 26 HA ILE 26 -7.475 6.173 17.532 224 HB ILE 26 HB ILE 26 -7.592 3.354 18.682 225 HG12 ILE 26 HG12 ILE 26 -9.599 4.676 19.193 226 HG13 ILE 26 HG13 ILE 26 -8.639 4.396 20.641 227 HG21 ILE 26 HG21 ILE 26 -6.029 5.748 19.654 228 HG22 ILE 26 HG22 ILE 26 -5.358 4.286 18.930 229 HG23 ILE 26 HG23 ILE 26 -6.173 4.204 20.493 230 HD11 ILE 26 HD11 ILE 26 -9.512 6.658 20.591 231 HD12 ILE 26 HD12 ILE 26 -8.730 6.943 19.036 232 HD13 ILE 26 HD13 ILE 26 -7.751 6.675 20.479 233 H VAL 27 H VAL 27 -5.941 6.504 16.084 234 HA VAL 27 HA VAL 27 -4.272 4.211 15.296 235 HB VAL 27 HB VAL 27 -3.535 5.525 13.316 236 HG11 VAL 27 HG11 VAL 27 -5.559 5.211 11.977 237 HG12 VAL 27 HG12 VAL 27 -6.496 5.016 13.458 238 HG13 VAL 27 HG13 VAL 27 -5.247 3.842 13.044 239 HG21 VAL 27 HG21 VAL 27 -4.825 7.460 12.568 240 HG22 VAL 27 HG22 VAL 27 -4.056 7.773 14.125 241 HG23 VAL 27 HG23 VAL 27 -5.779 7.405 14.051 242 H GLU 28 H GLU 28 -1.958 4.859 14.938 243 HA GLU 28 HA GLU 28 -1.242 7.303 16.394 244 HB2 GLU 28 HB2 GLU 28 0.801 6.211 17.228 245 HB3 GLU 28 HB3 GLU 28 -0.650 5.438 17.840 246 HG2 GLU 28 HG2 GLU 28 -0.377 3.586 16.372 247 HG3 GLU 28 HG3 GLU 28 0.924 4.398 15.503 248 H THR 29 H THR 29 0.488 8.424 15.642 249 HA THR 29 HA THR 29 1.044 8.298 12.853 250 HB THR 29 HB THR 29 2.802 9.776 14.797 251 HG1 THR 29 HG1 THR 29 0.074 10.012 14.589 252 HG21 THR 29 HG21 THR 29 1.602 10.489 12.118 253 HG22 THR 29 HG22 THR 29 3.256 9.943 12.398 254 HG23 THR 29 HG23 THR 29 2.716 11.493 13.048 255 H VAL 30 H VAL 30 2.465 6.957 11.892 256 HA VAL 30 HA VAL 30 3.980 5.111 13.355 257 HB VAL 30 HB VAL 30 4.611 5.752 10.480 258 HG11 VAL 30 HG11 VAL 30 4.945 3.330 10.343 259 HG12 VAL 30 HG12 VAL 30 4.519 3.180 12.047 260 HG13 VAL 30 HG13 VAL 30 5.970 4.066 11.576 261 HG21 VAL 30 HG21 VAL 30 2.779 4.304 9.769 262 HG22 VAL 30 HG22 VAL 30 2.172 5.720 10.627 263 HG23 VAL 30 HG23 VAL 30 2.236 4.156 11.440 264 H ASP 31 H ASP 31 4.998 8.086 11.676 265 HA ASP 31 HA ASP 31 7.736 7.676 12.692 266 HB2 ASP 31 HB2 ASP 31 7.345 7.729 10.195 267 HB3 ASP 31 HB3 ASP 31 6.859 9.403 10.370 268 H ALA 32 H ALA 32 8.904 9.521 13.418 269 HA ALA 32 HA ALA 32 9.405 11.507 14.291 270 HB1 ALA 32 HB1 ALA 32 8.486 12.403 12.181 271 HB2 ALA 32 HB2 ALA 32 8.313 13.517 13.537 272 HB3 ALA 32 HB3 ALA 32 6.921 12.596 12.975 273 H ALA 33 H ALA 33 5.971 12.225 14.546 274 HA ALA 33 HA ALA 33 6.106 12.925 17.264 275 HB1 ALA 33 HB1 ALA 33 4.438 13.827 15.729 276 HB2 ALA 33 HB2 ALA 33 3.671 13.103 17.144 277 HB3 ALA 33 HB3 ALA 33 3.683 12.239 15.604 278 H LYS 34 H LYS 34 5.159 9.985 15.635 279 HA LYS 34 HA LYS 34 4.416 7.927 16.281 280 HB2 LYS 34 HB2 LYS 34 6.549 8.457 18.353 281 HB3 LYS 34 HB3 LYS 34 5.864 6.872 18.020 282 HG2 LYS 34 HG2 LYS 34 6.663 7.031 15.698 283 HG3 LYS 34 HG3 LYS 34 7.372 8.603 16.071 284 HD2 LYS 34 HD2 LYS 34 8.793 7.526 17.774 285 HD3 LYS 34 HD3 LYS 34 8.108 5.964 17.325 286 HE2 LYS 34 HE2 LYS 34 9.584 7.782 15.424 287 HE3 LYS 34 HE3 LYS 34 10.328 6.446 16.296 288 HZ1 LYS 34 HZ1 LYS 34 9.697 5.861 14.015 289 HZ2 LYS 34 HZ2 LYS 34 8.069 6.166 14.381 290 HZ3 LYS 34 HZ3 LYS 34 8.891 4.910 15.159 291 H LYS 35 H LYS 35 2.561 9.707 17.149 292 HA LYS 35 HA LYS 35 1.931 8.877 19.903 293 HB2 LYS 35 HB2 LYS 35 0.905 11.087 20.240 294 HB3 LYS 35 HB3 LYS 35 2.616 11.215 19.848 295 HG2 LYS 35 HG2 LYS 35 2.099 11.861 17.580 296 HG3 LYS 35 HG3 LYS 35 0.377 11.616 17.870 297 HD2 LYS 35 HD2 LYS 35 2.060 13.595 19.391 298 HD3 LYS 35 HD3 LYS 35 1.140 13.999 17.940 299 HE2 LYS 35 HE2 LYS 35 -0.926 13.412 19.026 300 HE3 LYS 35 HE3 LYS 35 -0.060 12.820 20.442 301 HZ1 LYS 35 HZ1 LYS 35 -0.980 15.028 20.797 302 HZ2 LYS 35 HZ2 LYS 35 -0.076 15.635 19.499 303 HZ3 LYS 35 HZ3 LYS 35 0.712 15.050 20.878 304 H ARG 36 H ARG 36 -0.257 8.585 20.438 305 HA ARG 36 HA ARG 36 -1.934 7.658 18.351 306 HB2 ARG 36 HB2 ARG 36 -3.699 7.424 20.114 307 HB3 ARG 36 HB3 ARG 36 -2.206 6.566 20.449 308 HG2 ARG 36 HG2 ARG 36 -2.573 9.281 21.600 309 HG3 ARG 36 HG3 ARG 36 -3.473 7.936 22.298 310 HD2 ARG 36 HD2 ARG 36 -1.474 6.762 22.827 311 HD3 ARG 36 HD3 ARG 36 -0.492 7.875 21.875 312 HE ARG 36 HE ARG 36 -1.882 9.227 23.955 313 HH11 ARG 36 HH11 ARG 36 0.932 7.193 23.353 314 HH12 ARG 36 HH12 ARG 36 1.822 7.812 24.711 315 HH21 ARG 36 HH21 ARG 36 -0.702 10.054 25.701 316 HH22 ARG 36 HH22 ARG 36 0.885 9.440 26.050 317 H VAL 37 H VAL 37 -3.224 8.665 17.108 318 HA VAL 37 HA VAL 37 -4.230 11.329 17.832 319 HB VAL 37 HB VAL 37 -4.107 11.873 15.338 320 HG11 VAL 37 HG11 VAL 37 -1.760 12.558 15.435 321 HG12 VAL 37 HG12 VAL 37 -1.510 11.501 16.824 322 HG13 VAL 37 HG13 VAL 37 -2.597 12.884 16.953 323 HG21 VAL 37 HG21 VAL 37 -3.747 9.622 14.488 324 HG22 VAL 37 HG22 VAL 37 -2.205 9.532 15.340 325 HG23 VAL 37 HG23 VAL 37 -2.417 10.684 14.021 326 HA PRO 38 HA PRO 38 -8.155 9.655 16.671 327 HB2 PRO 38 HB2 PRO 38 -9.232 12.198 15.944 328 HB3 PRO 38 HB3 PRO 38 -9.456 11.306 17.441 329 HG2 PRO 38 HG2 PRO 38 -8.089 13.683 17.241 330 HG3 PRO 38 HG3 PRO 38 -7.853 12.488 18.528 331 HD2 PRO 38 HD2 PRO 38 -6.216 12.990 16.083 332 HD3 PRO 38 HD3 PRO 38 -5.697 12.552 17.726 333 H ALA 39 H ALA 39 -8.335 8.505 14.868 334 HA ALA 39 HA ALA 39 -8.159 9.713 12.225 335 HB1 ALA 39 HB1 ALA 39 -8.519 7.437 11.402 336 HB2 ALA 39 HB2 ALA 39 -8.767 6.888 13.063 337 HB3 ALA 39 HB3 ALA 39 -7.192 7.509 12.562 338 H TYR 40 H TYR 40 -9.883 9.907 10.785 339 HA TYR 40 HA TYR 40 -12.554 9.363 11.895 340 HB2 TYR 40 HB2 TYR 40 -11.803 11.856 10.349 341 HB3 TYR 40 HB3 TYR 40 -13.396 11.459 10.974 342 HD1 TYR 40 HD1 TYR 40 -13.535 11.148 13.592 343 HD2 TYR 40 HD2 TYR 40 -10.410 13.217 11.574 344 HE1 TYR 40 HE1 TYR 40 -13.005 12.362 15.661 345 HE2 TYR 40 HE2 TYR 40 -9.871 14.429 13.639 346 HH TYR 40 HH TYR 40 -10.975 15.086 15.714 347 H ALA 41 H ALA 41 -14.240 9.217 10.222 348 HA ALA 41 HA ALA 41 -13.276 7.516 8.113 349 HB1 ALA 41 HB1 ALA 41 -15.606 7.030 7.691 350 HB2 ALA 41 HB2 ALA 41 -16.095 8.362 8.738 351 HB3 ALA 41 HB3 ALA 41 -15.269 6.960 9.421 352 H HIS 42 H HIS 42 -14.334 10.831 8.322 353 HA HIS 42 HA HIS 42 -14.619 11.082 5.441 354 HB2 HIS 42 HB2 HIS 42 -15.883 12.447 7.252 355 HB3 HIS 42 HB3 HIS 42 -14.406 13.393 7.369 356 HD1 HIS 42 HD1 HIS 42 -17.397 12.835 5.252 357 HD2 HIS 42 HD2 HIS 42 -13.864 15.026 5.085 358 HE1 HIS 42 HE1 HIS 42 -17.710 14.483 3.377 359 HE2 HIS 42 HE2 HIS 42 -15.502 15.674 3.183 360 H ASP 43 H ASP 43 -12.092 11.023 7.670 361 HA ASP 43 HA ASP 43 -10.251 12.624 6.070 362 HB2 ASP 43 HB2 ASP 43 -10.006 11.260 8.754 363 HB3 ASP 43 HB3 ASP 43 -8.618 11.972 7.941 364 H LYS 44 H LYS 44 -11.464 9.844 5.506 365 HA LYS 44 HA LYS 44 -11.012 8.213 4.047 366 HB2 LYS 44 HB2 LYS 44 -9.553 10.075 2.995 367 HB3 LYS 44 HB3 LYS 44 -8.196 9.177 3.655 368 HG2 LYS 44 HG2 LYS 44 -8.221 8.120 1.693 369 HG3 LYS 44 HG3 LYS 44 -9.557 7.204 2.386 370 HD2 LYS 44 HD2 LYS 44 -9.909 9.735 0.782 371 HD3 LYS 44 HD3 LYS 44 -9.970 8.123 0.077 372 HE2 LYS 44 HE2 LYS 44 -11.890 7.566 1.447 373 HE3 LYS 44 HE3 LYS 44 -11.780 9.118 2.275 374 HZ1 LYS 44 HZ1 LYS 44 -12.274 8.823 -0.638 375 HZ2 LYS 44 HZ2 LYS 44 -12.338 10.255 0.270 376 HZ3 LYS 44 HZ3 LYS 44 -13.493 9.040 0.520 377 H VAL 45 H VAL 45 -11.187 6.582 5.491 378 HA VAL 45 HA VAL 45 -8.640 5.428 6.400 379 HB VAL 45 HB VAL 45 -11.382 5.116 7.658 380 HG11 VAL 45 HG11 VAL 45 -10.162 2.971 7.719 381 HG12 VAL 45 HG12 VAL 45 -10.345 3.675 9.326 382 HG13 VAL 45 HG13 VAL 45 -8.798 3.784 8.486 383 HG21 VAL 45 HG21 VAL 45 -8.812 6.287 8.712 384 HG22 VAL 45 HG22 VAL 45 -10.310 6.107 9.627 385 HG23 VAL 45 HG23 VAL 45 -10.250 7.190 8.235 386 H ILE 46 H ILE 46 -8.089 4.137 4.835 387 HA ILE 46 HA ILE 46 -9.847 1.836 4.233 388 HB ILE 46 HB ILE 46 -7.639 3.084 2.535 389 HG12 ILE 46 HG12 ILE 46 -9.783 4.273 2.383 390 HG13 ILE 46 HG13 ILE 46 -9.364 3.496 0.862 391 HG21 ILE 46 HG21 ILE 46 -8.082 1.402 0.827 392 HG22 ILE 46 HG22 ILE 46 -9.227 0.600 1.902 393 HG23 ILE 46 HG23 ILE 46 -7.516 0.662 2.325 394 HD11 ILE 46 HD11 ILE 46 -11.731 3.270 1.331 395 HD12 ILE 46 HD12 ILE 46 -11.369 2.491 2.872 396 HD13 ILE 46 HD13 ILE 46 -10.944 1.691 1.359 397 H SER 47 H SER 47 -8.787 -0.243 4.627 398 HA SER 47 HA SER 47 -6.292 -0.057 6.113 399 HB2 SER 47 HB2 SER 47 -8.075 -1.640 6.854 400 HB3 SER 47 HB3 SER 47 -7.869 -2.538 5.356 401 HG SER 47 HG SER 47 -6.379 -2.591 7.637 402 H LEU 48 H LEU 48 -4.311 -0.962 5.383 403 HA LEU 48 HA LEU 48 -3.887 -0.845 2.563 404 HB2 LEU 48 HB2 LEU 48 -2.203 -0.140 4.242 405 HB3 LEU 48 HB3 LEU 48 -2.007 -1.812 4.725 406 HG LEU 48 HG LEU 48 -1.081 -2.375 2.539 407 HD11 LEU 48 HD11 LEU 48 -0.634 -0.646 0.879 408 HD12 LEU 48 HD12 LEU 48 -1.475 0.538 1.880 409 HD13 LEU 48 HD13 LEU 48 -2.363 -0.815 1.180 410 HD21 LEU 48 HD21 LEU 48 0.457 -1.576 4.246 411 HD22 LEU 48 HD22 LEU 48 0.198 0.085 3.714 412 HD23 LEU 48 HD23 LEU 48 0.980 -1.072 2.639 413 H ALA 49 H ALA 49 -4.821 -3.375 4.676 414 HA ALA 49 HA ALA 49 -3.878 -5.562 3.131 415 HB1 ALA 49 HB1 ALA 49 -6.161 -5.469 5.088 416 HB2 ALA 49 HB2 ALA 49 -4.476 -5.805 5.481 417 HB3 ALA 49 HB3 ALA 49 -5.381 -6.924 4.462 418 H ASP 50 H ASP 50 -6.619 -3.423 2.969 419 HA ASP 50 HA ASP 50 -8.313 -5.088 1.363 420 HB2 ASP 50 HB2 ASP 50 -8.395 -2.192 2.169 421 HB3 ASP 50 HB3 ASP 50 -9.528 -2.823 0.978 422 H ILE 51 H ILE 51 -5.685 -2.949 0.656 423 HA ILE 51 HA ILE 51 -6.431 -2.523 -2.098 424 HB ILE 51 HB ILE 51 -3.641 -2.260 -0.961 425 HG12 ILE 51 HG12 ILE 51 -5.202 -0.931 0.444 426 HG13 ILE 51 HG13 ILE 51 -4.074 0.076 -0.449 427 HG21 ILE 51 HG21 ILE 51 -3.345 -0.617 -2.753 428 HG22 ILE 51 HG22 ILE 51 -4.999 -0.906 -3.292 429 HG23 ILE 51 HG23 ILE 51 -3.802 -2.198 -3.388 430 HD11 ILE 51 HD11 ILE 51 -6.288 1.059 -0.403 431 HD12 ILE 51 HD12 ILE 51 -6.969 -0.387 -1.150 432 HD13 ILE 51 HD13 ILE 51 -5.839 0.624 -2.053 433 H ALA 52 H ALA 52 -6.401 -4.126 -3.527 434 HA ALA 52 HA ALA 52 -4.262 -6.135 -3.356 435 HB1 ALA 52 HB1 ALA 52 -6.371 -7.132 -2.606 436 HB2 ALA 52 HB2 ALA 52 -5.837 -7.839 -4.131 437 HB3 ALA 52 HB3 ALA 52 -7.141 -6.650 -4.119 438 H MET 53 H MET 53 -3.643 -7.074 -5.379 439 HA MET 53 HA MET 53 -4.205 -5.304 -7.662 440 HB2 MET 53 HB2 MET 53 -1.685 -6.815 -6.959 441 HB3 MET 53 HB3 MET 53 -1.976 -6.139 -8.558 442 HG2 MET 53 HG2 MET 53 -1.761 -4.634 -5.962 443 HG3 MET 53 HG3 MET 53 -0.616 -4.628 -7.302 444 HE1 MET 53 HE1 MET 53 -1.914 -2.031 -5.877 445 HE2 MET 53 HE2 MET 53 -2.170 -1.011 -7.295 446 HE3 MET 53 HE3 MET 53 -0.688 -1.958 -7.144 447 H TYR 54 H TYR 54 -4.808 -6.187 -9.538 448 HA TYR 54 HA TYR 54 -5.737 -8.950 -9.300 449 HB2 TYR 54 HB2 TYR 54 -6.627 -6.890 -11.318 450 HB3 TYR 54 HB3 TYR 54 -7.450 -8.377 -10.857 451 HD1 TYR 54 HD2 TYR 54 -8.119 -8.532 -8.311 452 HD2 TYR 54 HD1 TYR 54 -7.307 -4.893 -10.361 453 HE1 TYR 54 HE2 TYR 54 -9.357 -7.294 -6.590 454 HE2 TYR 54 HE1 TYR 54 -8.534 -3.645 -8.638 455 HH TYR 54 HH TYR 54 -9.350 -4.943 -5.671 456 H THR 55 H THR 55 -4.932 -10.489 -10.522 457 HA THR 55 HA THR 55 -3.048 -9.729 -12.651 458 HB THR 55 HB THR 55 -1.611 -11.628 -11.906 459 HG1 THR 55 HG1 THR 55 -3.173 -11.666 -9.531 460 HG21 THR 55 HG21 THR 55 -2.155 -9.551 -9.777 461 HG22 THR 55 HG22 THR 55 -1.032 -9.398 -11.132 462 HG23 THR 55 HG23 THR 55 -0.722 -10.576 -9.856 463 H ASP 56 H ASP 56 -2.367 -12.100 -13.695 464 HA ASP 56 HA ASP 56 -4.687 -13.294 -14.843 465 HB2 ASP 56 HB2 ASP 56 -2.546 -13.283 -16.012 466 HB3 ASP 56 HB3 ASP 56 -1.801 -14.237 -14.738 467 H ALA 57 H ALA 57 -2.674 -14.011 -12.118 468 HA ALA 57 HA ALA 57 -4.130 -16.355 -11.259 469 HB1 ALA 57 HB1 ALA 57 -2.768 -16.169 -9.222 470 HB2 ALA 57 HB2 ALA 57 -2.167 -14.600 -9.764 471 HB3 ALA 57 HB3 ALA 57 -1.766 -16.059 -10.670 472 H GLU 58 H GLU 58 -4.464 -15.694 -8.480 473 HA GLU 58 HA GLU 58 -6.988 -14.324 -8.594 474 HB2 GLU 58 HB2 GLU 58 -5.488 -15.096 -6.087 475 HB3 GLU 58 HB3 GLU 58 -7.209 -14.813 -6.256 476 HG2 GLU 58 HG2 GLU 58 -7.148 -17.098 -6.148 477 HG3 GLU 58 HG3 GLU 58 -7.084 -16.858 -7.892 478 H GLU 59 H GLU 59 -7.450 -12.646 -6.735 479 HA GLU 59 HA GLU 59 -5.756 -10.389 -7.135 480 HB2 GLU 59 HB2 GLU 59 -7.267 -9.325 -5.366 481 HB3 GLU 59 HB3 GLU 59 -7.999 -9.814 -6.882 482 HG2 GLU 59 HG2 GLU 59 -8.997 -11.730 -5.866 483 HG3 GLU 59 HG3 GLU 59 -8.104 -11.466 -4.368 484 H VAL 60 H VAL 60 -3.893 -10.184 -6.289 485 HA VAL 60 HA VAL 60 -3.266 -11.502 -3.763 486 HB VAL 60 HB VAL 60 -1.834 -12.212 -5.538 487 HG11 VAL 60 HG11 VAL 60 -0.458 -10.739 -6.896 488 HG12 VAL 60 HG12 VAL 60 -1.214 -9.336 -6.140 489 HG13 VAL 60 HG13 VAL 60 -2.180 -10.431 -7.129 490 HG21 VAL 60 HG21 VAL 60 -0.313 -10.245 -3.852 491 HG22 VAL 60 HG22 VAL 60 0.400 -11.544 -4.808 492 HG23 VAL 60 HG23 VAL 60 -0.666 -11.927 -3.456 493 HA PRO 61 HA PRO 61 -3.521 -7.642 -1.506 494 HB2 PRO 61 HB2 PRO 61 -1.614 -8.461 0.399 495 HB3 PRO 61 HB3 PRO 61 -3.363 -8.606 0.521 496 HG2 PRO 61 HG2 PRO 61 -1.340 -10.626 -0.275 497 HG3 PRO 61 HG3 PRO 61 -2.878 -10.851 0.576 498 HD2 PRO 61 HD2 PRO 61 -2.589 -11.533 -1.996 499 HD3 PRO 61 HD3 PRO 61 -4.109 -10.847 -1.391 500 H LEU 62 H LEU 62 -2.372 -5.788 -1.221 501 HA LEU 62 HA LEU 62 -0.113 -5.338 -2.843 502 HB2 LEU 62 HB2 LEU 62 -1.931 -3.691 -2.022 503 HB3 LEU 62 HB3 LEU 62 -0.891 -3.483 -0.622 504 HG LEU 62 HG LEU 62 0.958 -2.791 -2.116 505 HD11 LEU 62 HD11 LEU 62 0.494 -2.305 -4.457 506 HD12 LEU 62 HD12 LEU 62 -1.140 -2.945 -4.276 507 HD13 LEU 62 HD13 LEU 62 0.251 -4.016 -4.106 508 HD21 LEU 62 HD21 LEU 62 -1.588 -1.226 -2.458 509 HD22 LEU 62 HD22 LEU 62 0.042 -0.620 -2.755 510 HD23 LEU 62 HD23 LEU 62 -0.441 -1.090 -1.125 511 H SER 63 H SER 63 -0.338 -6.390 0.435 512 HA SER 63 HA SER 63 2.174 -5.627 1.401 513 HB2 SER 63 HB2 SER 63 0.595 -8.133 2.005 514 HB3 SER 63 HB3 SER 63 1.871 -7.439 3.015 515 HG SER 63 HG SER 63 0.373 -5.459 2.823 516 H GLU 64 H GLU 64 1.207 -8.303 -0.660 517 HA GLU 64 HA GLU 64 3.791 -9.553 -0.670 518 HB2 GLU 64 HB2 GLU 64 1.569 -9.954 -2.667 519 HB3 GLU 64 HB3 GLU 64 2.872 -11.065 -2.279 520 HG2 GLU 64 HG2 GLU 64 0.646 -10.277 -0.414 521 HG3 GLU 64 HG3 GLU 64 0.711 -11.766 -1.355 522 H VAL 65 H VAL 65 1.894 -7.639 -3.046 523 HA VAL 65 HA VAL 65 4.012 -7.959 -4.982 524 HB VAL 65 HB VAL 65 2.468 -6.560 -6.474 525 HG11 VAL 65 HG11 VAL 65 1.070 -8.525 -6.900 526 HG12 VAL 65 HG12 VAL 65 1.580 -9.213 -5.358 527 HG13 VAL 65 HG13 VAL 65 2.760 -8.962 -6.645 528 HG21 VAL 65 HG21 VAL 65 1.077 -5.568 -4.725 529 HG22 VAL 65 HG22 VAL 65 0.551 -7.175 -4.219 530 HG23 VAL 65 HG23 VAL 65 0.104 -6.563 -5.810 531 H LEU 66 H LEU 66 2.912 -5.243 -3.001 532 HA LEU 66 HA LEU 66 4.400 -3.263 -4.427 533 HB2 LEU 66 HB2 LEU 66 2.886 -2.119 -3.229 534 HB3 LEU 66 HB3 LEU 66 2.731 -3.384 -2.040 535 HG LEU 66 HG LEU 66 5.117 -1.588 -1.856 536 HD11 LEU 66 HD11 LEU 66 3.826 0.042 -0.600 537 HD12 LEU 66 HD12 LEU 66 2.345 -0.858 -0.927 538 HD13 LEU 66 HD13 LEU 66 3.212 -0.075 -2.251 539 HD21 LEU 66 HD21 LEU 66 4.691 -1.892 0.542 540 HD22 LEU 66 HD22 LEU 66 4.865 -3.442 -0.286 541 HD23 LEU 66 HD23 LEU 66 3.260 -2.856 0.161 542 H GLU 67 H GLU 67 5.099 -5.447 -1.794 543 HA GLU 67 HA GLU 67 7.609 -4.279 -1.111 544 HB2 GLU 67 HB2 GLU 67 6.262 -5.667 0.452 545 HB3 GLU 67 HB3 GLU 67 6.583 -7.072 -0.551 546 HG2 GLU 67 HG2 GLU 67 8.014 -7.001 1.437 547 HG3 GLU 67 HG3 GLU 67 8.949 -6.938 -0.055 548 H ALA 68 H ALA 68 6.531 -6.722 -3.364 549 HA ALA 68 HA ALA 68 9.028 -7.950 -3.845 550 HB1 ALA 68 HB1 ALA 68 7.954 -8.958 -5.773 551 HB2 ALA 68 HB2 ALA 68 6.617 -7.814 -5.651 552 HB3 ALA 68 HB3 ALA 68 6.886 -9.001 -4.372 553 H VAL 69 H VAL 69 7.368 -5.273 -5.563 554 HA VAL 69 HA VAL 69 9.513 -5.000 -7.460 555 HB VAL 69 HB VAL 69 8.326 -2.723 -7.955 556 HG11 VAL 69 HG11 VAL 69 7.003 -5.367 -8.506 557 HG12 VAL 69 HG12 VAL 69 8.310 -4.638 -9.441 558 HG13 VAL 69 HG13 VAL 69 6.722 -3.870 -9.394 559 HG21 VAL 69 HG21 VAL 69 6.166 -4.170 -6.421 560 HG22 VAL 69 HG22 VAL 69 5.930 -2.745 -7.433 561 HG23 VAL 69 HG23 VAL 69 6.915 -2.637 -5.973 562 H LYS 70 H LYS 70 8.661 -3.430 -4.439 563 HA LYS 70 HA LYS 70 10.511 -1.288 -4.603 564 HB2 LYS 70 HB2 LYS 70 8.665 -1.093 -3.127 565 HB3 LYS 70 HB3 LYS 70 9.053 -2.601 -2.315 566 HG2 LYS 70 HG2 LYS 70 10.867 -1.619 -1.176 567 HG3 LYS 70 HG3 LYS 70 10.815 -0.177 -2.192 568 HD2 LYS 70 HD2 LYS 70 9.825 0.394 -0.097 569 HD3 LYS 70 HD3 LYS 70 8.530 0.280 -1.284 570 HE2 LYS 70 HE2 LYS 70 7.771 -0.773 0.721 571 HE3 LYS 70 HE3 LYS 70 8.082 -2.038 -0.469 572 HZ1 LYS 70 HZ1 LYS 70 8.939 -2.660 1.688 573 HZ2 LYS 70 HZ2 LYS 70 9.893 -1.258 1.748 574 HZ3 LYS 70 HZ3 LYS 70 10.217 -2.451 0.596 575 H LYS 71 H LYS 71 10.778 -4.578 -3.347 576 HA LYS 71 HA LYS 71 13.215 -4.149 -1.882 577 HB2 LYS 71 HB2 LYS 71 11.336 -5.928 -1.574 578 HB3 LYS 71 HB3 LYS 71 12.218 -6.825 -2.796 579 HG2 LYS 71 HG2 LYS 71 14.232 -6.727 -1.341 580 HG3 LYS 71 HG3 LYS 71 13.231 -5.977 -0.092 581 HD2 LYS 71 HD2 LYS 71 13.320 -8.320 0.381 582 HD3 LYS 71 HD3 LYS 71 11.706 -7.971 -0.246 583 HE2 LYS 71 HE2 LYS 71 12.795 -8.583 -2.544 584 HE3 LYS 71 HE3 LYS 71 13.979 -9.414 -1.537 585 HZ1 LYS 71 HZ1 LYS 71 12.163 -10.666 -0.529 586 HZ2 LYS 71 HZ2 LYS 71 12.230 -10.905 -2.203 587 HZ3 LYS 71 HZ3 LYS 71 11.049 -9.886 -1.542 588 H LYS 72 H LYS 72 12.371 -5.257 -5.096 589 HA LYS 72 HA LYS 72 14.888 -6.387 -5.794 590 HB2 LYS 72 HB2 LYS 72 12.358 -6.338 -6.899 591 HB3 LYS 72 HB3 LYS 72 13.276 -5.324 -7.999 592 HG2 LYS 72 HG2 LYS 72 14.106 -8.105 -7.217 593 HG3 LYS 72 HG3 LYS 72 13.131 -7.738 -8.638 594 HD2 LYS 72 HD2 LYS 72 15.022 -6.164 -9.313 595 HD3 LYS 72 HD3 LYS 72 15.984 -6.972 -8.075 596 HE2 LYS 72 HE2 LYS 72 16.394 -7.977 -10.247 597 HE3 LYS 72 HE3 LYS 72 15.570 -9.128 -9.193 598 HZ1 LYS 72 HZ1 LYS 72 13.540 -8.779 -10.323 599 HZ2 LYS 72 HZ2 LYS 72 14.702 -8.971 -11.538 600 HZ3 LYS 72 HZ3 LYS 72 14.125 -7.423 -11.149 601 H GLU 73 H GLU 73 13.556 -3.145 -5.900 602 HA GLU 73 HA GLU 73 15.927 -2.154 -7.297 603 HB2 GLU 73 HB2 GLU 73 13.598 -1.374 -7.882 604 HB3 GLU 73 HB3 GLU 73 13.521 -0.599 -6.307 605 HG2 GLU 73 HG2 GLU 73 14.053 0.937 -8.182 606 HG3 GLU 73 HG3 GLU 73 15.258 0.934 -6.903 607 H ASN 74 H ASN 74 16.578 -3.327 -4.980 608 HA ASN 74 HA ASN 74 18.083 -3.093 -3.326 609 HB2 ASN 74 HB2 ASN 74 19.019 -1.290 -4.747 610 HB3 ASN 74 HB3 ASN 74 18.004 -0.125 -3.939 611 HD21 ASN 74 HD21 ASN 74 18.616 0.690 -1.997 612 HD22 ASN 74 HD22 ASN 74 20.138 0.343 -1.253 613 H GLY 75 H GLY 75 14.981 -2.257 -3.034 614 HA2 GLY 75 HA2 GLY 75 13.671 -2.014 -1.084 615 HA3 GLY 75 HA3 GLY 75 15.127 -1.586 -0.188 616 H ALA 76 H ALA 76 13.370 -0.417 -3.015 617 HA ALA 76 HA ALA 76 14.412 2.203 -2.844 618 HB1 ALA 76 HB1 ALA 76 12.073 1.213 -4.467 619 HB2 ALA 76 HB2 ALA 76 13.766 1.139 -4.958 620 HB3 ALA 76 HB3 ALA 76 12.981 2.703 -4.731 621 H VAL 77 H VAL 77 13.857 3.711 -1.467 622 HA VAL 77 HA VAL 77 11.151 3.941 -0.470 623 HB VAL 77 HB VAL 77 12.286 6.324 0.241 624 HG11 VAL 77 HG11 VAL 77 11.125 4.789 1.718 625 HG12 VAL 77 HG12 VAL 77 12.658 5.281 2.439 626 HG13 VAL 77 HG13 VAL 77 12.502 3.689 1.692 627 HG21 VAL 77 HG21 VAL 77 14.558 5.871 1.064 628 HG22 VAL 77 HG22 VAL 77 14.480 5.775 -0.696 629 HG23 VAL 77 HG23 VAL 77 14.532 4.298 0.265 630 H ALA 78 H ALA 78 10.142 4.036 -2.433 631 HA ALA 78 HA ALA 78 9.126 4.830 -4.230 632 HB1 ALA 78 HB1 ALA 78 8.490 7.147 -4.328 633 HB2 ALA 78 HB2 ALA 78 9.699 7.561 -3.112 634 HB3 ALA 78 HB3 ALA 78 8.333 6.530 -2.683 635 H SER 79 H SER 79 10.948 7.749 -4.408 636 HA SER 79 HA SER 79 12.604 8.585 -5.660 637 HB2 SER 79 HB2 SER 79 13.434 5.720 -6.146 638 HB3 SER 79 HB3 SER 79 14.418 7.148 -6.471 639 HG SER 79 HG SER 79 13.330 6.614 -3.913 640 H ILE 80 H ILE 80 10.131 6.833 -6.983 641 HA ILE 80 HA ILE 80 10.829 7.692 -9.710 642 HB ILE 80 HB ILE 80 10.470 5.331 -9.740 643 HG12 ILE 80 HG12 ILE 80 7.903 6.627 -10.705 644 HG13 ILE 80 HG13 ILE 80 9.421 6.610 -11.590 645 HG21 ILE 80 HG21 ILE 80 7.870 5.761 -8.274 646 HG22 ILE 80 HG22 ILE 80 9.346 5.060 -7.607 647 HG23 ILE 80 HG23 ILE 80 8.471 4.220 -8.888 648 HD11 ILE 80 HD11 ILE 80 7.732 4.219 -10.890 649 HD12 ILE 80 HD12 ILE 80 9.293 4.158 -11.710 650 HD13 ILE 80 HD13 ILE 80 7.922 4.957 -12.482 651 H ASN 81 H ASN 81 9.548 9.123 -10.744 652 HA ASN 81 HA ASN 81 7.590 10.552 -9.224 653 HB2 ASN 81 HB2 ASN 81 7.310 11.804 -11.484 654 HB3 ASN 81 HB3 ASN 81 8.781 12.011 -10.553 655 HD21 ASN 81 HD21 ASN 81 7.379 10.633 -13.440 656 HD22 ASN 81 HD22 ASN 81 8.870 10.302 -14.246 657 H TYR 82 H TYR 82 5.582 10.058 -9.011 658 HA TYR 82 HA TYR 82 4.248 8.377 -11.000 659 HB2 TYR 82 HB2 TYR 82 2.483 8.063 -9.286 660 HB3 TYR 82 HB3 TYR 82 4.061 7.531 -8.734 661 HD1 TYR 82 HD1 TYR 82 5.324 9.028 -7.113 662 HD2 TYR 82 HD2 TYR 82 1.231 9.638 -8.078 663 HE1 TYR 82 HE1 TYR 82 5.048 10.346 -5.064 664 HE2 TYR 82 HE2 TYR 82 0.944 10.967 -6.035 665 HH TYR 82 HH TYR 82 3.635 11.966 -4.093 666 H LYS 83 H LYS 83 4.436 11.562 -9.872 667 HA LYS 83 HA LYS 83 1.792 12.318 -10.874 668 HB2 LYS 83 HB2 LYS 83 3.275 13.211 -8.751 669 HB3 LYS 83 HB3 LYS 83 3.616 14.441 -9.958 670 HG2 LYS 83 HG2 LYS 83 1.786 15.187 -8.681 671 HG3 LYS 83 HG3 LYS 83 1.142 14.682 -10.247 672 HD2 LYS 83 HD2 LYS 83 0.467 12.547 -9.297 673 HD3 LYS 83 HD3 LYS 83 1.165 13.007 -7.743 674 HE2 LYS 83 HE2 LYS 83 -1.027 14.533 -9.111 675 HE3 LYS 83 HE3 LYS 83 -1.311 13.273 -7.913 676 HZ1 LYS 83 HZ1 LYS 83 -1.343 15.538 -6.970 677 HZ2 LYS 83 HZ2 LYS 83 0.278 15.737 -7.417 678 HZ3 LYS 83 HZ3 LYS 83 -0.146 14.561 -6.275 679 H LYS 84 H LYS 84 5.132 12.403 -11.707 680 HA LYS 84 HA LYS 84 4.700 14.280 -13.916 681 HB2 LYS 84 HB2 LYS 84 7.237 13.151 -12.711 682 HB3 LYS 84 HB3 LYS 84 7.185 14.289 -14.051 683 HG2 LYS 84 HG2 LYS 84 6.241 15.989 -12.658 684 HG3 LYS 84 HG3 LYS 84 6.040 14.850 -11.325 685 HD2 LYS 84 HD2 LYS 84 8.412 14.641 -11.063 686 HD3 LYS 84 HD3 LYS 84 8.703 15.581 -12.528 687 HE2 LYS 84 HE2 LYS 84 7.315 16.659 -10.079 688 HE3 LYS 84 HE3 LYS 84 9.040 16.846 -10.398 689 HZ1 LYS 84 HZ1 LYS 84 6.857 17.837 -12.161 690 HZ2 LYS 84 HZ2 LYS 84 8.518 18.055 -12.409 691 HZ3 LYS 84 HZ3 LYS 84 7.760 18.792 -11.089 692 H ALA 85 H ALA 85 4.110 11.214 -13.595 693 HA ALA 85 HA ALA 85 4.939 10.556 -16.320 694 HB1 ALA 85 HB1 ALA 85 6.567 9.454 -14.877 695 HB2 ALA 85 HB2 ALA 85 5.531 8.274 -15.681 696 HB3 ALA 85 HB3 ALA 85 5.260 8.675 -13.984 697 H SER 86 H SER 86 3.624 8.918 -17.306 698 HA SER 86 HA SER 86 0.861 9.154 -16.541 699 HB2 SER 86 HB2 SER 86 2.144 7.629 -18.823 700 HB3 SER 86 HB3 SER 86 0.426 7.986 -18.656 701 HG SER 86 HG SER 86 1.537 9.467 -20.037 702 H ALA 87 H ALA 87 -0.563 7.236 -16.590 703 HA ALA 87 HA ALA 87 -0.087 5.289 -14.706 704 HB1 ALA 87 HB1 ALA 87 -1.882 5.007 -17.107 705 HB2 ALA 87 HB2 ALA 87 -2.291 5.834 -15.603 706 HB3 ALA 87 HB3 ALA 87 -1.997 4.097 -15.599 707 H ASP 88 H ASP 88 0.737 5.156 -18.118 708 HA ASP 88 HA ASP 88 1.242 2.386 -18.360 709 HB2 ASP 88 HB2 ASP 88 2.438 4.710 -19.884 710 HB3 ASP 88 HB3 ASP 88 2.518 3.025 -20.390 711 H GLU 89 H GLU 89 3.279 5.089 -17.391 712 HA GLU 89 HA GLU 89 5.768 3.709 -17.405 713 HB2 GLU 89 HB2 GLU 89 5.002 6.172 -15.828 714 HB3 GLU 89 HB3 GLU 89 6.629 5.650 -16.233 715 HG2 GLU 89 HG2 GLU 89 4.583 6.410 -18.295 716 HG3 GLU 89 HG3 GLU 89 5.715 7.558 -17.582 717 H LEU 90 H LEU 90 3.330 4.399 -14.963 718 HA LEU 90 HA LEU 90 4.814 3.449 -12.728 719 HB2 LEU 90 HB2 LEU 90 1.980 4.271 -13.191 720 HB3 LEU 90 HB3 LEU 90 2.340 3.320 -11.765 721 HG LEU 90 HG LEU 90 2.329 5.588 -11.080 722 HD11 LEU 90 HD11 LEU 90 5.197 4.747 -11.434 723 HD12 LEU 90 HD12 LEU 90 4.127 4.294 -10.105 724 HD13 LEU 90 HD13 LEU 90 4.612 5.977 -10.314 725 HD21 LEU 90 HD21 LEU 90 2.520 6.683 -13.233 726 HD22 LEU 90 HD22 LEU 90 4.212 6.200 -13.353 727 HD23 LEU 90 HD23 LEU 90 3.705 7.337 -12.102 728 H HIS 91 H HIS 91 2.511 1.940 -14.955 729 HA HIS 91 HA HIS 91 2.314 -0.481 -13.424 730 HB2 HIS 91 HB2 HIS 91 1.495 0.155 -16.264 731 HB3 HIS 91 HB3 HIS 91 1.195 -1.391 -15.480 732 HD1 HIS 91 HD1 HIS 91 -0.868 0.932 -16.540 733 HD2 HIS 91 HD2 HIS 91 0.035 -0.154 -12.631 734 HE1 HIS 91 HE1 HIS 91 -2.835 1.660 -15.164 735 HE2 HIS 91 HE2 HIS 91 -2.353 0.815 -12.843 736 H ALA 92 H ALA 92 4.455 0.748 -15.871 737 HA ALA 92 HA ALA 92 5.542 -1.785 -16.660 738 HB1 ALA 92 HB1 ALA 92 5.612 0.179 -18.126 739 HB2 ALA 92 HB2 ALA 92 7.219 -0.486 -17.837 740 HB3 ALA 92 HB3 ALA 92 6.704 0.977 -16.994 741 H TYR 93 H TYR 93 6.268 0.596 -14.201 742 HA TYR 93 HA TYR 93 8.733 -0.523 -13.312 743 HB2 TYR 93 HB2 TYR 93 7.941 1.803 -12.845 744 HB3 TYR 93 HB3 TYR 93 6.719 1.137 -11.775 745 HD1 TYR 93 HD2 TYR 93 10.421 1.264 -12.254 746 HD2 TYR 93 HD1 TYR 93 7.191 0.896 -9.501 747 HE1 TYR 93 HE2 TYR 93 12.005 1.435 -10.378 748 HE2 TYR 93 HE1 TYR 93 8.766 1.072 -7.623 749 HH TYR 93 HH TYR 93 11.947 2.125 -7.974 750 H PHE 94 H PHE 94 5.356 -1.183 -12.690 751 HA PHE 94 HA PHE 94 5.775 -2.908 -10.423 752 HB2 PHE 94 HB2 PHE 94 3.701 -1.576 -10.743 753 HB3 PHE 94 HB3 PHE 94 3.341 -2.516 -12.184 754 HD1 PHE 94 HD1 PHE 94 3.977 -2.940 -8.535 755 HD2 PHE 94 HD2 PHE 94 1.974 -4.366 -12.012 756 HE1 PHE 94 HE1 PHE 94 2.753 -4.569 -7.159 757 HE2 PHE 94 HE2 PHE 94 0.751 -5.999 -10.640 758 HZ PHE 94 HZ PHE 94 1.140 -6.102 -8.212 759 H ALA 95 H ALA 95 5.756 -3.185 -13.863 760 HA ALA 95 HA ALA 95 5.160 -5.990 -14.023 761 HB1 ALA 95 HB1 ALA 95 5.567 -5.720 -16.398 762 HB2 ALA 95 HB2 ALA 95 6.264 -4.123 -16.115 763 HB3 ALA 95 HB3 ALA 95 4.554 -4.410 -15.793 764 H GLU 96 H GLU 96 7.832 -4.517 -12.882 765 HA GLU 96 HA GLU 96 9.991 -5.737 -14.227 766 HB2 GLU 96 HB2 GLU 96 9.765 -3.796 -12.362 767 HB3 GLU 96 HB3 GLU 96 10.229 -5.131 -11.326 768 HG2 GLU 96 HG2 GLU 96 11.798 -4.369 -13.759 769 HG3 GLU 96 HG3 GLU 96 12.068 -3.621 -12.191 770 H VAL 97 H VAL 97 8.504 -6.552 -11.062 771 HA VAL 97 HA VAL 97 9.572 -9.262 -11.370 772 HB VAL 97 HB VAL 97 9.257 -9.619 -9.021 773 HG11 VAL 97 HG11 VAL 97 11.274 -8.442 -9.626 774 HG12 VAL 97 HG12 VAL 97 10.690 -7.890 -8.056 775 HG13 VAL 97 HG13 VAL 97 10.441 -6.894 -9.490 776 HG21 VAL 97 HG21 VAL 97 7.899 -6.927 -8.930 777 HG22 VAL 97 HG22 VAL 97 8.353 -7.885 -7.519 778 HG23 VAL 97 HG23 VAL 97 7.148 -8.500 -8.653 779 H LEU 98 H LEU 98 6.671 -7.510 -11.666 780 HA LEU 98 HA LEU 98 5.135 -10.022 -11.623 781 HB2 LEU 98 HB2 LEU 98 4.777 -7.887 -9.893 782 HB3 LEU 98 HB3 LEU 98 3.584 -7.576 -11.133 783 HG LEU 98 HG LEU 98 2.576 -8.759 -9.286 784 HD11 LEU 98 HD11 LEU 98 1.621 -10.690 -10.425 785 HD12 LEU 98 HD12 LEU 98 2.867 -10.573 -11.669 786 HD13 LEU 98 HD13 LEU 98 1.689 -9.275 -11.476 787 HD21 LEU 98 HD21 LEU 98 4.536 -9.841 -8.376 788 HD22 LEU 98 HD22 LEU 98 4.626 -10.910 -9.778 789 HD23 LEU 98 HD23 LEU 98 3.260 -11.022 -8.666 790 HA PRO 99 HA PRO 99 4.382 -8.125 -15.758 791 HB2 PRO 99 HB2 PRO 99 5.279 -10.374 -17.166 792 HB3 PRO 99 HB3 PRO 99 6.172 -8.875 -16.908 793 HG2 PRO 99 HG2 PRO 99 6.783 -11.437 -15.862 794 HG3 PRO 99 HG3 PRO 99 7.577 -9.904 -15.479 795 HD2 PRO 99 HD2 PRO 99 5.537 -11.407 -13.957 796 HD3 PRO 99 HD3 PRO 99 6.773 -10.270 -13.381 797 H ASN 100 H ASN 100 3.425 -10.892 -14.076 798 HA ASN 100 HA ASN 100 1.486 -11.798 -16.063 799 HB2 ASN 100 HB2 ASN 100 3.044 -13.346 -14.777 800 HB3 ASN 100 HB3 ASN 100 2.103 -12.980 -13.344 801 HD21 ASN 100 HD21 ASN 100 0.352 -14.163 -12.935 802 HD22 ASN 100 HD22 ASN 100 -0.356 -15.306 -14.024 803 H TYR 101 H TYR 101 1.254 -9.239 -14.701 804 HA TYR 101 HA TYR 101 -1.140 -9.530 -13.068 805 HB2 TYR 101 HB2 TYR 101 -0.894 -7.216 -12.504 806 HB3 TYR 101 HB3 TYR 101 0.704 -7.932 -12.406 807 HD1 TYR 101 HD1 TYR 101 1.763 -7.830 -15.086 808 HD2 TYR 101 HD2 TYR 101 -0.729 -5.002 -13.118 809 HE1 TYR 101 HE1 TYR 101 2.635 -6.071 -16.541 810 HE2 TYR 101 HE2 TYR 101 0.141 -3.219 -14.577 811 HH TYR 101 HH TYR 101 2.368 -2.873 -15.915 812 H ASP 102 H ASP 102 -2.948 -7.931 -13.597 813 HA ASP 102 HA ASP 102 -3.369 -7.872 -16.509 814 HB2 ASP 102 HB2 ASP 102 -5.068 -9.019 -15.020 815 HB3 ASP 102 HB3 ASP 102 -5.421 -7.441 -14.330 816 H ARG 103 H ARG 103 -3.240 -5.954 -17.507 817 HA ARG 103 HA ARG 103 -2.447 -3.706 -15.852 818 HB2 ARG 103 HB2 ARG 103 -1.305 -4.617 -18.009 819 HB3 ARG 103 HB3 ARG 103 -2.520 -3.663 -18.852 820 HG2 ARG 103 HG2 ARG 103 -1.736 -1.661 -17.648 821 HG3 ARG 103 HG3 ARG 103 -0.478 -2.641 -16.891 822 HD2 ARG 103 HD2 ARG 103 0.582 -1.610 -18.695 823 HD3 ARG 103 HD3 ARG 103 0.241 -3.248 -19.247 824 HE ARG 103 HE ARG 103 -1.729 -2.249 -20.416 825 HH11 ARG 103 HH11 ARG 103 1.148 -0.344 -19.693 826 HH12 ARG 103 HH12 ARG 103 0.830 0.844 -20.920 827 HH21 ARG 103 HH21 ARG 103 -2.120 -0.703 -22.059 828 HH22 ARG 103 HH22 ARG 103 -1.014 0.616 -22.286 829 H ASP 104 H ASP 104 -5.373 -4.714 -17.049 830 HA ASP 104 HA ASP 104 -6.380 -1.985 -17.429 831 HB2 ASP 104 HB2 ASP 104 -7.047 -3.697 -19.084 832 HB3 ASP 104 HB3 ASP 104 -7.805 -4.633 -17.802 833 H ARG 105 H ARG 105 -6.813 -4.852 -15.430 834 HA ARG 105 HA ARG 105 -8.723 -3.666 -13.678 835 HB2 ARG 105 HB2 ARG 105 -7.110 -6.181 -13.651 836 HB3 ARG 105 HB3 ARG 105 -7.952 -5.670 -12.192 837 HG2 ARG 105 HG2 ARG 105 -10.065 -5.674 -13.366 838 HG3 ARG 105 HG3 ARG 105 -9.251 -6.092 -14.875 839 HD2 ARG 105 HD2 ARG 105 -9.048 -7.826 -12.431 840 HD3 ARG 105 HD3 ARG 105 -10.389 -7.977 -13.565 841 HE ARG 105 HE ARG 105 -8.102 -8.077 -15.094 842 HH11 ARG 105 HH11 ARG 105 -9.356 -9.967 -12.425 843 HH12 ARG 105 HH12 ARG 105 -8.680 -11.460 -12.998 844 HH21 ARG 105 HH21 ARG 105 -7.208 -10.027 -15.853 845 HH22 ARG 105 HH22 ARG 105 -7.451 -11.498 -14.953 846 H VAL 106 H VAL 106 -5.197 -4.209 -13.416 847 HA VAL 106 HA VAL 106 -4.991 -2.403 -11.173 848 HB VAL 106 HB VAL 106 -2.836 -3.336 -13.119 849 HG11 VAL 106 HG11 VAL 106 -1.244 -2.661 -11.382 850 HG12 VAL 106 HG12 VAL 106 -2.575 -2.009 -10.426 851 HG13 VAL 106 HG13 VAL 106 -2.175 -1.290 -11.986 852 HG21 VAL 106 HG21 VAL 106 -3.809 -5.207 -11.896 853 HG22 VAL 106 HG22 VAL 106 -3.540 -4.363 -10.370 854 HG23 VAL 106 HG23 VAL 106 -2.164 -4.887 -11.342 855 H HIS 107 H HIS 107 -5.581 -0.321 -11.487 856 HA HIS 107 HA HIS 107 -6.360 0.265 -14.212 857 HB2 HIS 107 HB2 HIS 107 -8.051 0.241 -12.475 858 HB3 HIS 107 HB3 HIS 107 -7.178 1.460 -11.563 859 HD1 HIS 107 HD1 HIS 107 -8.152 3.697 -11.777 860 HD2 HIS 107 HD2 HIS 107 -8.864 1.397 -15.165 861 HE1 HIS 107 HE1 HIS 107 -9.508 5.161 -13.306 862 HE2 HIS 107 HE2 HIS 107 -9.813 3.803 -15.407 863 H ASN 108 H ASN 108 -4.973 2.303 -11.565 864 HA ASN 108 HA ASN 108 -3.278 3.729 -13.379 865 HB2 ASN 108 HB2 ASN 108 -5.585 4.614 -13.987 866 HB3 ASN 108 HB3 ASN 108 -5.664 5.310 -12.379 867 HD21 ASN 108 HD21 ASN 108 -5.804 6.659 -14.913 868 HD22 ASN 108 HD22 ASN 108 -4.483 7.775 -14.974 869 H GLY 109 H GLY 109 -5.217 4.812 -10.595 870 HA2 GLY 109 HA2 GLY 109 -2.867 6.075 -9.473 871 HA3 GLY 109 HA3 GLY 109 -4.515 6.221 -8.885 872 H ASP 110 H ASP 110 -4.230 3.068 -9.156 873 HA ASP 110 HA ASP 110 -3.867 2.426 -6.453 874 HB2 ASP 110 HB2 ASP 110 -3.425 0.051 -7.650 875 HB3 ASP 110 HB3 ASP 110 -5.028 0.752 -7.449 876 H ILE 111 H ILE 111 -1.581 2.232 -9.168 877 HA ILE 111 HA ILE 111 0.606 1.402 -7.505 878 HB ILE 111 HB ILE 111 0.696 2.604 -10.286 879 HG12 ILE 111 HG12 ILE 111 -0.617 0.517 -10.192 880 HG13 ILE 111 HG13 ILE 111 0.873 0.310 -11.101 881 HG21 ILE 111 HG21 ILE 111 2.857 2.773 -9.166 882 HG22 ILE 111 HG22 ILE 111 2.922 1.573 -10.460 883 HG23 ILE 111 HG23 ILE 111 2.806 1.052 -8.778 884 HD11 ILE 111 HD11 ILE 111 1.889 -0.794 -9.170 885 HD12 ILE 111 HD12 ILE 111 0.422 -1.616 -9.703 886 HD13 ILE 111 HD13 ILE 111 0.385 -0.589 -8.270 887 H LYS 112 H LYS 112 -0.749 4.477 -8.483 888 HA LYS 112 HA LYS 112 1.598 6.009 -7.958 889 HB2 LYS 112 HB2 LYS 112 -1.272 6.872 -8.304 890 HB3 LYS 112 HB3 LYS 112 0.099 7.973 -8.201 891 HG2 LYS 112 HG2 LYS 112 1.070 6.723 -10.177 892 HG3 LYS 112 HG3 LYS 112 -0.518 5.972 -10.350 893 HD2 LYS 112 HD2 LYS 112 -1.539 8.180 -10.557 894 HD3 LYS 112 HD3 LYS 112 0.049 8.930 -10.375 895 HE2 LYS 112 HE2 LYS 112 0.794 7.751 -12.417 896 HE3 LYS 112 HE3 LYS 112 -0.842 7.117 -12.614 897 HZ1 LYS 112 HZ1 LYS 112 -0.469 9.101 -13.963 898 HZ2 LYS 112 HZ2 LYS 112 -0.105 9.993 -12.576 899 HZ3 LYS 112 HZ3 LYS 112 -1.666 9.374 -12.795 900 H LYS 113 H LYS 113 -1.235 5.168 -6.033 901 HA LYS 113 HA LYS 113 -0.492 6.787 -3.782 902 HB2 LYS 113 HB2 LYS 113 -2.203 5.486 -2.558 903 HB3 LYS 113 HB3 LYS 113 -2.814 6.123 -4.077 904 HG2 LYS 113 HG2 LYS 113 -2.507 3.916 -5.113 905 HG3 LYS 113 HG3 LYS 113 -1.925 3.285 -3.575 906 HD2 LYS 113 HD2 LYS 113 -4.117 2.629 -3.468 907 HD3 LYS 113 HD3 LYS 113 -4.242 4.211 -2.705 908 HE2 LYS 113 HE2 LYS 113 -4.754 3.727 -5.637 909 HE3 LYS 113 HE3 LYS 113 -6.017 3.674 -4.410 910 HZ1 LYS 113 HZ1 LYS 113 -6.001 5.814 -5.451 911 HZ2 LYS 113 HZ2 LYS 113 -4.348 6.025 -5.145 912 HZ3 LYS 113 HZ3 LYS 113 -5.452 5.998 -3.856 913 H LEU 114 H LEU 114 0.287 3.624 -4.930 914 HA LEU 114 HA LEU 114 1.365 2.473 -2.591 915 HB2 LEU 114 HB2 LEU 114 0.765 0.942 -4.180 916 HB3 LEU 114 HB3 LEU 114 1.280 1.944 -5.507 917 HG LEU 114 HG LEU 114 3.295 0.468 -3.810 918 HD11 LEU 114 HD11 LEU 114 1.798 -0.530 -6.232 919 HD12 LEU 114 HD12 LEU 114 1.669 -1.170 -4.591 920 HD13 LEU 114 HD13 LEU 114 3.183 -1.324 -5.483 921 HD21 LEU 114 HD21 LEU 114 4.548 0.509 -5.952 922 HD22 LEU 114 HD22 LEU 114 4.224 2.117 -5.299 923 HD23 LEU 114 HD23 LEU 114 3.258 1.499 -6.647 924 H ILE 115 H ILE 115 2.693 4.590 -5.063 925 HA ILE 115 HA ILE 115 5.451 4.349 -4.411 926 HB ILE 115 HB ILE 115 4.069 6.782 -5.592 927 HG12 ILE 115 HG12 ILE 115 3.529 4.783 -6.910 928 HG13 ILE 115 HG13 ILE 115 4.572 5.881 -7.802 929 HG21 ILE 115 HG21 ILE 115 6.229 7.264 -6.632 930 HG22 ILE 115 HG22 ILE 115 6.931 5.859 -5.826 931 HG23 ILE 115 HG23 ILE 115 6.354 7.225 -4.871 932 HD11 ILE 115 HD11 ILE 115 5.442 3.346 -6.423 933 HD12 ILE 115 HD12 ILE 115 6.487 4.440 -7.331 934 HD13 ILE 115 HD13 ILE 115 5.200 3.561 -8.158 935 H SER 116 H SER 116 2.838 6.366 -3.199 936 HA SER 116 HA SER 116 4.400 8.097 -1.586 937 HB2 SER 116 HB2 SER 116 1.501 7.324 -1.206 938 HB3 SER 116 HB3 SER 116 2.287 8.806 -0.656 939 HG SER 116 HG SER 116 2.731 9.091 -3.032 940 H TRP 117 H TRP 117 3.083 4.881 -1.109 941 HA TRP 117 HA TRP 117 3.432 4.970 1.762 942 HB2 TRP 117 HB2 TRP 117 2.602 2.689 -0.035 943 HB3 TRP 117 HB3 TRP 117 2.600 2.651 1.725 944 HD1 TRP 117 HD1 TRP 117 1.294 5.639 2.054 945 HE1 TRP 117 HE1 TRP 117 -1.225 5.892 1.613 946 HE3 TRP 117 HE3 TRP 117 0.551 1.450 -0.772 947 HZ2 TRP 117 HZ2 TRP 117 -3.257 4.492 0.249 948 HZ3 TRP 117 HZ3 TRP 117 -1.715 0.985 -1.595 949 HH2 TRP 117 HH2 TRP 117 -3.571 2.472 -1.097 950 H TYR 118 H TYR 118 5.166 3.884 -1.018 951 HA TYR 118 HA TYR 118 7.001 2.026 -0.185 952 HB2 TYR 118 HB2 TYR 118 7.087 4.340 -2.038 953 HB3 TYR 118 HB3 TYR 118 8.623 3.629 -1.593 954 HD1 TYR 118 HD1 TYR 118 6.216 1.028 -1.708 955 HD2 TYR 118 HD2 TYR 118 8.562 3.592 -4.148 956 HE1 TYR 118 HE1 TYR 118 6.043 -0.573 -3.567 957 HE2 TYR 118 HE2 TYR 118 8.402 2.019 -6.002 958 HH TYR 118 HH TYR 118 7.963 -0.295 -6.402 959 H ASN 119 H ASN 119 7.167 5.518 0.249 960 HA ASN 119 HA ASN 119 9.703 5.655 1.480 961 HB2 ASN 119 HB2 ASN 119 7.386 7.569 1.792 962 HB3 ASN 119 HB3 ASN 119 9.057 7.911 2.220 963 HD21 ASN 119 HD21 ASN 119 10.625 7.921 0.523 964 HD22 ASN 119 HD22 ASN 119 10.138 8.364 -1.079 965 H ILE 120 H ILE 120 6.465 5.660 2.896 966 HA ILE 120 HA ILE 120 7.197 6.181 5.554 967 HB ILE 120 HB ILE 120 4.718 4.781 4.521 968 HG12 ILE 120 HG12 ILE 120 5.134 7.727 5.056 969 HG13 ILE 120 HG13 ILE 120 5.291 6.998 3.463 970 HG21 ILE 120 HG21 ILE 120 3.600 5.621 6.528 971 HG22 ILE 120 HG22 ILE 120 5.117 6.335 7.086 972 HG23 ILE 120 HG23 ILE 120 4.962 4.582 6.962 973 HD11 ILE 120 HD11 ILE 120 2.798 7.076 5.144 974 HD12 ILE 120 HD12 ILE 120 2.944 6.311 3.562 975 HD13 ILE 120 HD13 ILE 120 3.137 8.057 3.718 976 H LEU 121 H LEU 121 6.818 3.146 3.811 977 HA LEU 121 HA LEU 121 6.820 1.432 6.069 978 HB2 LEU 121 HB2 LEU 121 7.599 0.776 3.231 979 HB3 LEU 121 HB3 LEU 121 7.115 -0.366 4.471 980 HG LEU 121 HG LEU 121 5.334 1.767 3.298 981 HD11 LEU 121 HD11 LEU 121 4.188 -0.079 2.191 982 HD12 LEU 121 HD12 LEU 121 5.414 -1.195 2.791 983 HD13 LEU 121 HD13 LEU 121 5.861 0.076 1.653 984 HD21 LEU 121 HD21 LEU 121 4.763 1.183 5.603 985 HD22 LEU 121 HD22 LEU 121 4.685 -0.520 5.149 986 HD23 LEU 121 HD23 LEU 121 3.537 0.628 4.464 987 H VAL 122 H VAL 122 9.417 2.134 3.703 988 HA VAL 122 HA VAL 122 11.342 0.572 5.108 989 HB VAL 122 HB VAL 122 11.923 2.695 3.030 990 HG11 VAL 122 HG11 VAL 122 13.913 1.901 4.168 991 HG12 VAL 122 HG12 VAL 122 13.876 1.319 2.504 992 HG13 VAL 122 HG13 VAL 122 13.463 0.229 3.829 993 HG21 VAL 122 HG21 VAL 122 10.240 1.159 2.177 994 HG22 VAL 122 HG22 VAL 122 11.257 -0.214 2.611 995 HG23 VAL 122 HG23 VAL 122 11.784 0.913 1.361 996 H ASN 123 H ASN 123 10.427 3.955 5.287 997 HA ASN 123 HA ASN 123 12.734 4.944 6.603 998 HB2 ASN 123 HB2 ASN 123 9.933 5.943 6.300 999 HB3 ASN 123 HB3 ASN 123 11.024 6.742 7.420 1000 HD21 ASN 123 HD21 ASN 123 13.377 6.154 5.697 1001 HD22 ASN 123 HD22 ASN 123 13.251 7.266 4.377 1002 H ASN 124 H ASN 124 9.897 3.308 7.841 1003 HA ASN 124 HA ASN 124 10.767 3.926 10.581 1004 HB2 ASN 124 HB2 ASN 124 8.128 3.013 9.457 1005 HB3 ASN 124 HB3 ASN 124 8.489 2.902 11.180 1006 HD21 ASN 124 HD21 ASN 124 7.751 4.993 8.540 1007 HD22 ASN 124 HD22 ASN 124 7.592 6.443 9.472 1008 H GLY 125 H GLY 125 11.220 1.579 8.343 1009 HA2 GLY 125 HA2 GLY 125 11.770 -0.656 8.398 1010 HA3 GLY 125 HA3 GLY 125 12.002 -0.461 10.132 1011 H ILE 126 H ILE 126 9.145 -0.163 8.057 1012 HA ILE 126 HA ILE 126 7.543 -1.680 9.901 1013 HB ILE 126 HB ILE 126 6.810 -0.606 7.157 1014 HG12 ILE 126 HG12 ILE 126 6.350 0.569 9.923 1015 HG13 ILE 126 HG13 ILE 126 7.480 1.187 8.724 1016 HG21 ILE 126 HG21 ILE 126 5.339 -2.414 7.879 1017 HG22 ILE 126 HG22 ILE 126 4.487 -0.870 7.906 1018 HG23 ILE 126 HG23 ILE 126 5.057 -1.592 9.412 1019 HD11 ILE 126 HD11 ILE 126 5.610 1.752 7.256 1020 HD12 ILE 126 HD12 ILE 126 5.466 2.540 8.829 1021 HD13 ILE 126 HD13 ILE 126 4.478 1.127 8.456 1022 H THR 127 H THR 127 7.758 -3.760 9.996 1023 HA THR 127 HA THR 127 8.824 -5.216 7.683 1024 HB THR 127 HB THR 127 9.584 -6.870 9.404 1025 HG1 THR 127 HG1 THR 127 8.241 -6.522 11.123 1026 HG21 THR 127 HG21 THR 127 10.477 -4.021 9.851 1027 HG22 THR 127 HG22 THR 127 11.106 -5.130 8.629 1028 HG23 THR 127 HG23 THR 127 11.366 -5.464 10.341 1029 H GLU 128 H GLU 128 6.051 -4.757 7.725 1030 HA GLU 128 HA GLU 128 4.822 -7.234 8.717 1031 HB2 GLU 128 HB2 GLU 128 3.377 -4.911 7.445 1032 HB3 GLU 128 HB3 GLU 128 2.716 -6.141 8.507 1033 HG2 GLU 128 HG2 GLU 128 4.608 -3.929 9.289 1034 HG3 GLU 128 HG3 GLU 128 2.887 -4.001 9.647 1035 H PHE 129 H PHE 129 6.465 -6.581 6.143 1036 HA PHE 129 HA PHE 129 4.595 -7.665 4.148 1037 HB2 PHE 129 HB2 PHE 129 6.897 -5.736 3.678 1038 HB3 PHE 129 HB3 PHE 129 5.801 -6.357 2.449 1039 HD1 PHE 129 HD2 PHE 129 6.059 -4.141 5.386 1040 HD2 PHE 129 HD1 PHE 129 3.651 -5.384 2.109 1041 HE1 PHE 129 HE2 PHE 129 4.521 -2.288 5.813 1042 HE2 PHE 129 HE1 PHE 129 2.106 -3.535 2.544 1043 HZ PHE 129 HZ PHE 129 2.539 -1.986 4.397 1044 H VAL 130 H VAL 130 8.094 -7.210 4.667 1045 HA VAL 130 HA VAL 130 8.459 -10.119 4.451 1046 HB VAL 130 HB VAL 130 10.778 -9.667 3.500 1047 HG11 VAL 130 HG11 VAL 130 9.013 -10.584 2.117 1048 HG12 VAL 130 HG12 VAL 130 10.018 -9.473 1.185 1049 HG13 VAL 130 HG13 VAL 130 8.429 -8.960 1.754 1050 HG21 VAL 130 HG21 VAL 130 9.594 -6.953 2.917 1051 HG22 VAL 130 HG22 VAL 130 11.109 -7.572 2.258 1052 HG23 VAL 130 HG23 VAL 130 10.949 -7.298 3.993 1053 H GLU 131 H GLU 131 11.264 -9.992 4.993 1054 HA GLU 131 HA GLU 131 11.323 -9.559 7.805 1055 HB2 GLU 131 HB2 GLU 131 13.703 -10.149 7.677 1056 HB3 GLU 131 HB3 GLU 131 12.712 -11.306 6.805 1057 HG2 GLU 131 HG2 GLU 131 14.012 -9.051 5.333 1058 HG3 GLU 131 HG3 GLU 131 14.965 -10.465 5.794 1059 H ALA 132 H ALA 132 12.355 -7.755 5.001 1060 HA ALA 132 HA ALA 132 13.047 -5.684 4.570 1061 HB1 ALA 132 HB1 ALA 132 10.963 -5.062 5.696 1062 HB2 ALA 132 HB2 ALA 132 12.217 -3.837 5.883 1063 HB3 ALA 132 HB3 ALA 132 11.835 -4.921 7.223 1064 HA PRO 133 HA PRO 133 17.016 -5.814 6.708 1065 HB2 PRO 133 HB2 PRO 133 18.540 -5.187 4.595 1066 HB3 PRO 133 HB3 PRO 133 17.809 -6.785 4.780 1067 HG2 PRO 133 HG2 PRO 133 16.950 -4.494 3.068 1068 HG3 PRO 133 HG3 PRO 133 16.975 -6.226 2.694 1069 HD2 PRO 133 HD2 PRO 133 14.725 -4.823 3.476 1070 HD3 PRO 133 HD3 PRO 133 14.932 -6.575 3.646 1071 H ALA 134 H ALA 134 15.216 -3.377 6.652 1072 HA ALA 134 HA ALA 134 17.251 -1.275 6.578 1073 HB1 ALA 134 HB1 ALA 134 15.151 -0.777 5.428 1074 HB2 ALA 134 HB2 ALA 134 15.383 0.296 6.810 1075 HB3 ALA 134 HB3 ALA 134 14.258 -1.057 6.921 1076 H LEU 135 H LEU 135 18.423 -1.715 8.405 1077 HA LEU 135 HA LEU 135 16.965 -1.737 10.951 1078 HB2 LEU 135 HB2 LEU 135 19.685 -2.789 10.199 1079 HB3 LEU 135 HB3 LEU 135 19.280 -2.460 11.870 1080 HG LEU 135 HG LEU 135 17.314 -4.085 11.546 1081 HD11 LEU 135 HD11 LEU 135 17.561 -5.779 9.826 1082 HD12 LEU 135 HD12 LEU 135 18.955 -4.924 9.163 1083 HD13 LEU 135 HD13 LEU 135 17.355 -4.184 9.099 1084 HD21 LEU 135 HD21 LEU 135 19.244 -4.639 12.873 1085 HD22 LEU 135 HD22 LEU 135 20.152 -5.077 11.426 1086 HD23 LEU 135 HD23 LEU 135 18.758 -6.043 11.919 1087 H GLU 136 H GLU 136 20.298 -0.798 10.267 1088 HA GLU 136 HA GLU 136 21.505 1.084 10.558 1089 HB2 GLU 136 HB2 GLU 136 18.878 2.272 9.694 1090 HB3 GLU 136 HB3 GLU 136 20.272 3.282 10.027 1091 HG2 GLU 136 HG2 GLU 136 20.248 2.974 7.706 1092 HG3 GLU 136 HG3 GLU 136 21.523 1.918 8.300 1093 H HIS 137 H HIS 137 20.617 3.681 11.504 1094 HA HIS 137 HA HIS 137 20.330 4.966 13.333 1095 HB2 HIS 137 HB2 HIS 137 18.168 3.574 13.503 1096 HB3 HIS 137 HB3 HIS 137 18.994 2.664 14.763 1097 HD1 HIS 137 HD1 HIS 137 17.254 5.865 14.081 1098 HD2 HIS 137 HD2 HIS 137 19.392 4.115 17.187 1099 HE1 HIS 137 HE1 HIS 137 16.756 7.263 16.113 1100 HE2 HIS 137 HE2 HIS 137 17.935 6.093 18.016 1101 H HIS 138 H HIS 138 20.515 2.105 15.342 1102 HA HIS 138 HA HIS 138 23.416 2.188 15.466 1103 HB2 HIS 138 HB2 HIS 138 22.424 3.630 17.392 1104 HB3 HIS 138 HB3 HIS 138 21.869 2.105 18.067 1105 HD1 HIS 138 HD1 HIS 138 23.516 2.971 20.076 1106 HD2 HIS 138 HD2 HIS 138 25.339 1.654 16.578 1107 HE1 HIS 138 HE1 HIS 138 25.915 2.537 20.685 1108 HE2 HIS 138 HE2 HIS 138 27.038 1.943 18.509 1109 H HIS 139 H HIS 139 20.956 0.677 17.542 1110 HA HIS 139 HA HIS 139 19.819 -1.268 17.502 1111 HB2 HIS 139 HB2 HIS 139 19.717 -0.602 14.992 1112 HB3 HIS 139 HB3 HIS 139 20.848 -1.920 14.759 1113 HD1 HIS 139 HD1 HIS 139 17.296 -1.182 15.058 1114 HD2 HIS 139 HD2 HIS 139 19.727 -4.525 15.471 1115 HE1 HIS 139 HE1 HIS 139 15.750 -3.163 14.928 1116 HE2 HIS 139 HE2 HIS 139 17.224 -5.164 15.352 1117 H HIS 140 H HIS 140 23.163 -1.248 17.476 1118 HA HIS 140 HA HIS 140 23.448 -4.141 17.469 1119 HB2 HIS 140 HB2 HIS 140 25.427 -1.881 17.460 1120 HB3 HIS 140 HB3 HIS 140 25.931 -3.510 17.885 1121 HD1 HIS 140 HD1 HIS 140 25.575 -5.367 15.986 1122 HD2 HIS 140 HD2 HIS 140 25.176 -1.414 14.760 1123 HE1 HIS 140 HE1 HIS 140 25.767 -5.415 13.477 1124 HE2 HIS 140 HE2 HIS 140 25.348 -3.037 12.747 1125 H HIS 141 H HIS 141 21.848 -3.508 19.390 1126 HA HIS 141 HA HIS 141 23.138 -4.631 21.689 1127 HB2 HIS 141 HB2 HIS 141 23.509 -2.140 22.004 1128 HB3 HIS 141 HB3 HIS 141 21.762 -1.949 22.039 1129 HD1 HIS 141 HD1 HIS 141 24.632 -3.278 24.053 1130 HD2 HIS 141 HD2 HIS 141 20.530 -2.697 24.427 1131 HE1 HIS 141 HE1 HIS 141 24.124 -3.583 26.500 1132 HE2 HIS 141 HE2 HIS 141 21.646 -3.178 26.719 1133 H HIS 142 H HIS 142 21.792 -6.306 21.694 1134 HA HIS 142 HA HIS 142 19.973 -7.642 21.747 1135 HB2 HIS 142 HB2 HIS 142 18.537 -5.157 22.698 1136 HB3 HIS 142 HB3 HIS 142 17.785 -6.744 22.602 1137 HD1 HIS 142 HD1 HIS 142 18.794 -4.712 25.104 1138 HD2 HIS 142 HD2 HIS 142 19.930 -8.585 24.107 1139 HE1 HIS 142 HE1 HIS 142 19.706 -5.713 27.222 1140 HE2 HIS 142 HE2 HIS 142 20.207 -8.109 26.640 Start of MODEL 12 1 H1 MET 1 H1 MET 1 1.857 -9.233 11.643 2 H2 MET 1 H2 MET 1 0.171 -9.412 11.621 3 H3 MET 1 H3 MET 1 0.868 -7.920 11.217 4 HA MET 1 HA MET 1 1.902 -8.901 9.276 5 HB2 MET 1 HB2 MET 1 1.973 -11.212 10.255 6 HB3 MET 1 HB3 MET 1 0.245 -11.339 9.960 7 HG2 MET 1 HG2 MET 1 0.744 -10.920 7.525 8 HG3 MET 1 HG3 MET 1 2.449 -11.099 7.930 9 HE1 MET 1 HE1 MET 1 -0.701 -14.443 8.340 10 HE2 MET 1 HE2 MET 1 -1.031 -12.860 7.635 11 HE3 MET 1 HE3 MET 1 -0.689 -13.003 9.358 12 H LEU 2 H LEU 2 0.793 -7.241 8.486 13 HA LEU 2 HA LEU 2 -0.710 -6.025 7.386 14 HB2 LEU 2 HB2 LEU 2 -2.052 -8.670 6.851 15 HB3 LEU 2 HB3 LEU 2 -2.490 -7.155 6.084 16 HG LEU 2 HG LEU 2 0.156 -8.591 5.817 17 HD11 LEU 2 HD11 LEU 2 -1.669 -9.643 4.586 18 HD12 LEU 2 HD12 LEU 2 -0.511 -8.888 3.490 19 HD13 LEU 2 HD13 LEU 2 -2.053 -8.099 3.825 20 HD21 LEU 2 HD21 LEU 2 -0.777 -6.021 4.541 21 HD22 LEU 2 HD22 LEU 2 0.737 -6.859 4.198 22 HD23 LEU 2 HD23 LEU 2 0.454 -6.161 5.794 23 H LYS 3 H LYS 3 -3.153 -5.542 7.162 24 HA LYS 3 HA LYS 3 -5.157 -4.932 7.984 25 HB2 LYS 3 HB2 LYS 3 -4.731 -7.180 9.950 26 HB3 LYS 3 HB3 LYS 3 -6.241 -6.300 9.748 27 HG2 LYS 3 HG2 LYS 3 -6.465 -7.097 7.494 28 HG3 LYS 3 HG3 LYS 3 -4.869 -7.846 7.561 29 HD2 LYS 3 HD2 LYS 3 -5.672 -9.333 9.351 30 HD3 LYS 3 HD3 LYS 3 -7.278 -8.611 9.206 31 HE2 LYS 3 HE2 LYS 3 -7.330 -9.317 6.834 32 HE3 LYS 3 HE3 LYS 3 -5.781 -10.126 7.071 33 HZ1 LYS 3 HZ1 LYS 3 -8.312 -10.759 8.488 34 HZ2 LYS 3 HZ2 LYS 3 -6.831 -11.538 8.742 35 HZ3 LYS 3 HZ3 LYS 3 -7.617 -11.678 7.246 36 H THR 4 H THR 4 -2.463 -4.127 9.343 37 HA THR 4 HA THR 4 -3.667 -2.854 11.715 38 HB THR 4 HB THR 4 -0.705 -3.241 11.194 39 HG1 THR 4 HG1 THR 4 -1.154 -5.263 11.642 40 HG21 THR 4 HG21 THR 4 -1.264 -1.450 12.785 41 HG22 THR 4 HG22 THR 4 -0.478 -2.807 13.592 42 HG23 THR 4 HG23 THR 4 -2.224 -2.592 13.729 43 H ILE 5 H ILE 5 -1.625 -2.354 8.888 44 HA ILE 5 HA ILE 5 -1.419 0.477 9.339 45 HB ILE 5 HB ILE 5 -0.630 -1.226 6.978 46 HG12 ILE 5 HG12 ILE 5 0.646 -1.742 8.984 47 HG13 ILE 5 HG13 ILE 5 1.663 -0.941 7.793 48 HG21 ILE 5 HG21 ILE 5 0.725 0.679 6.218 49 HG22 ILE 5 HG22 ILE 5 -0.004 1.675 7.478 50 HG23 ILE 5 HG23 ILE 5 -1.006 1.012 6.183 51 HD11 ILE 5 HD11 ILE 5 1.479 1.148 9.036 52 HD12 ILE 5 HD12 ILE 5 2.120 -0.151 10.044 53 HD13 ILE 5 HD13 ILE 5 0.438 0.354 10.219 54 H LEU 6 H LEU 6 -2.971 1.841 8.904 55 HA LEU 6 HA LEU 6 -4.931 1.216 6.820 56 HB2 LEU 6 HB2 LEU 6 -5.021 3.415 8.881 57 HB3 LEU 6 HB3 LEU 6 -6.288 3.005 7.751 58 HG LEU 6 HG LEU 6 -5.407 1.469 10.184 59 HD11 LEU 6 HD11 LEU 6 -6.926 3.320 10.549 60 HD12 LEU 6 HD12 LEU 6 -7.762 1.788 10.800 61 HD13 LEU 6 HD13 LEU 6 -8.016 2.698 9.311 62 HD21 LEU 6 HD21 LEU 6 -7.318 0.567 8.024 63 HD22 LEU 6 HD22 LEU 6 -7.097 -0.218 9.589 64 HD23 LEU 6 HD23 LEU 6 -5.769 -0.175 8.428 65 H SER 7 H SER 7 -5.196 2.477 5.115 66 HA SER 7 HA SER 7 -3.108 4.378 4.444 67 HB2 SER 7 HB2 SER 7 -3.671 2.822 2.714 68 HB3 SER 7 HB3 SER 7 -5.397 3.080 2.936 69 HG SER 7 HG SER 7 -3.501 4.834 1.802 70 H ILE 8 H ILE 8 -3.345 6.455 4.767 71 HA ILE 8 HA ILE 8 -6.049 7.565 5.099 72 HB ILE 8 HB ILE 8 -3.543 8.418 6.583 73 HG12 ILE 8 HG12 ILE 8 -4.434 6.286 7.430 74 HG13 ILE 8 HG13 ILE 8 -4.630 7.573 8.608 75 HG21 ILE 8 HG21 ILE 8 -4.996 9.919 7.861 76 HG22 ILE 8 HG22 ILE 8 -6.365 9.453 6.851 77 HG23 ILE 8 HG23 ILE 8 -5.002 10.319 6.142 78 HD11 ILE 8 HD11 ILE 8 -7.001 7.755 7.998 79 HD12 ILE 8 HD12 ILE 8 -6.582 6.137 8.559 80 HD13 ILE 8 HD13 ILE 8 -6.792 6.444 6.836 81 H ALA 9 H ALA 9 -6.500 9.307 3.872 82 HA ALA 9 HA ALA 9 -4.292 10.372 2.250 83 HB1 ALA 9 HB1 ALA 9 -5.614 8.787 0.930 84 HB2 ALA 9 HB2 ALA 9 -5.747 10.431 0.303 85 HB3 ALA 9 HB3 ALA 9 -7.066 9.738 1.248 86 H GLY 10 H GLY 10 -4.528 12.524 1.511 87 HA2 GLY 10 HA2 GLY 10 -6.136 14.452 1.398 88 HA3 GLY 10 HA3 GLY 10 -6.447 14.110 3.095 89 H LYS 11 H LYS 11 -4.196 13.894 4.344 90 HA LYS 11 HA LYS 11 -2.307 15.902 3.445 91 HB2 LYS 11 HB2 LYS 11 -4.064 17.156 4.674 92 HB3 LYS 11 HB3 LYS 11 -3.705 16.214 6.111 93 HG2 LYS 11 HG2 LYS 11 -1.553 17.183 6.313 94 HG3 LYS 11 HG3 LYS 11 -1.674 17.943 4.722 95 HD2 LYS 11 HD2 LYS 11 -3.495 19.346 5.505 96 HD3 LYS 11 HD3 LYS 11 -3.455 18.555 7.082 97 HE2 LYS 11 HE2 LYS 11 -1.193 19.389 7.446 98 HE3 LYS 11 HE3 LYS 11 -1.211 20.156 5.859 99 HZ1 LYS 11 HZ1 LYS 11 -1.709 21.685 7.723 100 HZ2 LYS 11 HZ2 LYS 11 -3.124 20.803 8.034 101 HZ3 LYS 11 HZ3 LYS 11 -2.941 21.617 6.561 102 HA PRO 12 HA PRO 12 -0.147 13.196 6.754 103 HB2 PRO 12 HB2 PRO 12 -1.477 11.288 8.125 104 HB3 PRO 12 HB3 PRO 12 -1.348 12.956 8.695 105 HG2 PRO 12 HG2 PRO 12 -3.620 11.591 7.321 106 HG3 PRO 12 HG3 PRO 12 -3.647 12.737 8.673 107 HD2 PRO 12 HD2 PRO 12 -4.171 13.424 6.083 108 HD3 PRO 12 HD3 PRO 12 -3.539 14.547 7.299 109 H GLY 13 H GLY 13 -0.673 10.245 7.202 110 HA2 GLY 13 HA2 GLY 13 -0.379 9.379 4.419 111 HA3 GLY 13 HA3 GLY 13 0.990 9.170 5.493 112 H LEU 14 H LEU 14 0.695 7.775 7.384 113 HA LEU 14 HA LEU 14 -1.429 5.794 6.973 114 HB2 LEU 14 HB2 LEU 14 1.499 5.172 7.341 115 HB3 LEU 14 HB3 LEU 14 0.209 3.983 7.346 116 HG LEU 14 HG LEU 14 0.869 5.740 4.977 117 HD11 LEU 14 HD11 LEU 14 1.856 3.745 4.010 118 HD12 LEU 14 HD12 LEU 14 1.600 2.883 5.528 119 HD13 LEU 14 HD13 LEU 14 2.708 4.255 5.466 120 HD21 LEU 14 HD21 LEU 14 -0.861 3.286 5.228 121 HD22 LEU 14 HD22 LEU 14 -0.502 4.155 3.735 122 HD23 LEU 14 HD23 LEU 14 -1.434 4.939 5.011 123 H TYR 15 H TYR 15 -2.227 4.836 8.744 124 HA TYR 15 HA TYR 15 -1.005 5.456 11.334 125 HB2 TYR 15 HB2 TYR 15 -3.849 5.996 10.517 126 HB3 TYR 15 HB3 TYR 15 -3.399 5.784 12.204 127 HD1 TYR 15 HD1 TYR 15 -1.611 7.356 13.155 128 HD2 TYR 15 HD2 TYR 15 -3.627 8.087 9.488 129 HE1 TYR 15 HE1 TYR 15 -0.994 9.729 13.293 130 HE2 TYR 15 HE2 TYR 15 -3.013 10.458 9.615 131 HH TYR 15 HH TYR 15 -0.690 11.643 11.771 132 H LYS 16 H LYS 16 -1.030 3.877 12.767 133 HA LYS 16 HA LYS 16 -1.816 1.228 11.910 134 HB2 LYS 16 HB2 LYS 16 -0.463 2.188 14.440 135 HB3 LYS 16 HB3 LYS 16 -0.611 0.510 13.934 136 HG2 LYS 16 HG2 LYS 16 0.968 0.709 12.309 137 HG3 LYS 16 HG3 LYS 16 0.671 2.425 12.061 138 HD2 LYS 16 HD2 LYS 16 2.736 2.466 13.085 139 HD3 LYS 16 HD3 LYS 16 1.670 2.645 14.473 140 HE2 LYS 16 HE2 LYS 16 2.698 -0.039 13.587 141 HE3 LYS 16 HE3 LYS 16 3.617 0.997 14.674 142 HZ1 LYS 16 HZ1 LYS 16 1.730 0.957 16.210 143 HZ2 LYS 16 HZ2 LYS 16 2.340 -0.596 15.919 144 HZ3 LYS 16 HZ3 LYS 16 0.904 -0.099 15.175 145 H LEU 17 H LEU 17 -3.855 0.581 12.213 146 HA LEU 17 HA LEU 17 -5.668 1.612 14.152 147 HB2 LEU 17 HB2 LEU 17 -5.930 0.129 11.882 148 HB3 LEU 17 HB3 LEU 17 -6.168 -1.100 13.102 149 HG LEU 17 HG LEU 17 -7.823 1.408 12.731 150 HD11 LEU 17 HD11 LEU 17 -8.465 -1.505 12.334 151 HD12 LEU 17 HD12 LEU 17 -8.271 -0.285 11.074 152 HD13 LEU 17 HD13 LEU 17 -9.615 -0.173 12.211 153 HD21 LEU 17 HD21 LEU 17 -7.690 0.888 15.106 154 HD22 LEU 17 HD22 LEU 17 -8.153 -0.782 14.782 155 HD23 LEU 17 HD23 LEU 17 -9.296 0.526 14.473 156 H ILE 18 H ILE 18 -5.595 1.239 16.242 157 HA ILE 18 HA ILE 18 -4.498 -1.300 17.235 158 HB ILE 18 HB ILE 18 -4.899 1.298 18.751 159 HG12 ILE 18 HG12 ILE 18 -2.297 0.096 17.775 160 HG13 ILE 18 HG13 ILE 18 -3.156 1.366 16.915 161 HG21 ILE 18 HG21 ILE 18 -3.498 0.247 20.472 162 HG22 ILE 18 HG22 ILE 18 -3.428 -1.231 19.512 163 HG23 ILE 18 HG23 ILE 18 -4.967 -0.687 20.182 164 HD11 ILE 18 HD11 ILE 18 -2.874 2.854 18.818 165 HD12 ILE 18 HD12 ILE 18 -1.322 2.252 18.234 166 HD13 ILE 18 HD13 ILE 18 -2.036 1.575 19.699 167 H SER 19 H SER 19 -7.076 1.080 17.899 168 HA SER 19 HA SER 19 -8.917 -1.093 18.521 169 HB2 SER 19 HB2 SER 19 -8.370 1.206 20.428 170 HB3 SER 19 HB3 SER 19 -9.660 0.016 20.616 171 HG SER 19 HG SER 19 -7.250 -1.176 20.244 172 H GLN 20 H GLN 20 -11.183 -0.311 18.633 173 HA GLN 20 HA GLN 20 -11.561 2.255 17.230 174 HB2 GLN 20 HB2 GLN 20 -13.133 -0.307 16.877 175 HB3 GLN 20 HB3 GLN 20 -13.629 1.247 16.221 176 HG2 GLN 20 HG2 GLN 20 -11.565 1.335 14.904 177 HG3 GLN 20 HG3 GLN 20 -11.098 -0.235 15.546 178 HE21 GLN 20 HE21 GLN 20 -14.366 0.661 14.594 179 HE22 GLN 20 HE22 GLN 20 -14.456 -0.420 13.248 180 H GLY 21 H GLY 21 -13.213 3.555 17.904 181 HA2 GLY 21 HA2 GLY 21 -14.807 2.688 20.213 182 HA3 GLY 21 HA3 GLY 21 -13.832 4.144 20.343 183 H LYS 22 H LYS 22 -15.863 5.222 20.789 184 HA LYS 22 HA LYS 22 -17.593 5.553 18.459 185 HB2 LYS 22 HB2 LYS 22 -17.934 6.683 21.244 186 HB3 LYS 22 HB3 LYS 22 -19.112 6.754 19.944 187 HG2 LYS 22 HG2 LYS 22 -18.146 4.265 21.339 188 HG3 LYS 22 HG3 LYS 22 -19.720 5.038 21.530 189 HD2 LYS 22 HD2 LYS 22 -20.351 4.500 19.303 190 HD3 LYS 22 HD3 LYS 22 -18.710 4.000 18.890 191 HE2 LYS 22 HE2 LYS 22 -18.912 2.176 20.565 192 HE3 LYS 22 HE3 LYS 22 -20.599 2.637 20.799 193 HZ1 LYS 22 HZ1 LYS 22 -20.411 0.807 19.258 194 HZ2 LYS 22 HZ2 LYS 22 -19.382 1.714 18.256 195 HZ3 LYS 22 HZ3 LYS 22 -21.000 2.185 18.459 196 H ASN 23 H ASN 23 -17.462 7.189 17.162 197 HA ASN 23 HA ASN 23 -16.985 9.158 16.176 198 HB2 ASN 23 HB2 ASN 23 -16.174 10.108 18.930 199 HB3 ASN 23 HB3 ASN 23 -16.085 11.120 17.495 200 HD21 ASN 23 HD21 ASN 23 -17.554 12.613 18.271 201 HD22 ASN 23 HD22 ASN 23 -19.244 12.265 18.411 202 H MET 24 H MET 24 -14.461 8.443 18.541 203 HA MET 24 HA MET 24 -12.435 9.014 16.519 204 HB2 MET 24 HB2 MET 24 -10.880 9.022 18.505 205 HB3 MET 24 HB3 MET 24 -12.095 10.294 18.484 206 HG2 MET 24 HG2 MET 24 -13.444 9.067 20.067 207 HG3 MET 24 HG3 MET 24 -12.288 7.740 20.069 208 HE1 MET 24 HE1 MET 24 -9.833 7.938 21.059 209 HE2 MET 24 HE2 MET 24 -9.153 9.451 21.665 210 HE3 MET 24 HE3 MET 24 -9.577 9.293 19.957 211 H LEU 25 H LEU 25 -11.129 7.539 15.755 212 HA LEU 25 HA LEU 25 -11.187 4.797 16.793 213 HB2 LEU 25 HB2 LEU 25 -9.904 5.921 14.282 214 HB3 LEU 25 HB3 LEU 25 -9.837 4.244 14.768 215 HG LEU 25 HG LEU 25 -11.457 4.187 13.147 216 HD11 LEU 25 HD11 LEU 25 -12.384 3.177 15.113 217 HD12 LEU 25 HD12 LEU 25 -13.659 3.968 14.183 218 HD13 LEU 25 HD13 LEU 25 -13.028 4.732 15.643 219 HD21 LEU 25 HD21 LEU 25 -11.563 6.561 12.686 220 HD22 LEU 25 HD22 LEU 25 -12.561 6.812 14.119 221 HD23 LEU 25 HD23 LEU 25 -13.182 5.865 12.766 222 H ILE 26 H ILE 26 -9.259 3.800 17.493 223 HA ILE 26 HA ILE 26 -7.227 5.721 18.381 224 HB ILE 26 HB ILE 26 -7.401 2.766 19.086 225 HG12 ILE 26 HG12 ILE 26 -9.461 3.854 19.845 226 HG13 ILE 26 HG13 ILE 26 -8.452 3.399 21.210 227 HG21 ILE 26 HG21 ILE 26 -5.916 5.039 20.396 228 HG22 ILE 26 HG22 ILE 26 -5.216 3.715 19.462 229 HG23 ILE 26 HG23 ILE 26 -5.999 3.387 21.008 230 HD11 ILE 26 HD11 ILE 26 -9.467 5.560 21.573 231 HD12 ILE 26 HD12 ILE 26 -8.770 6.168 20.072 232 HD13 ILE 26 HD13 ILE 26 -7.718 5.733 21.420 233 H VAL 27 H VAL 27 -5.780 6.046 16.797 234 HA VAL 27 HA VAL 27 -4.524 3.693 15.563 235 HB VAL 27 HB VAL 27 -4.074 5.071 13.520 236 HG11 VAL 27 HG11 VAL 27 -5.871 3.444 13.503 237 HG12 VAL 27 HG12 VAL 27 -6.318 4.863 12.555 238 HG13 VAL 27 HG13 VAL 27 -6.984 4.637 14.173 239 HG21 VAL 27 HG21 VAL 27 -6.073 6.977 14.740 240 HG22 VAL 27 HG22 VAL 27 -5.419 7.072 13.103 241 HG23 VAL 27 HG23 VAL 27 -4.356 7.291 14.492 242 H GLU 28 H GLU 28 -2.235 4.136 14.870 243 HA GLU 28 HA GLU 28 -1.020 6.199 16.575 244 HB2 GLU 28 HB2 GLU 28 -0.719 3.926 17.446 245 HB3 GLU 28 HB3 GLU 28 0.019 3.435 15.930 246 HG2 GLU 28 HG2 GLU 28 1.902 4.893 16.323 247 HG3 GLU 28 HG3 GLU 28 1.141 5.541 17.778 248 H THR 29 H THR 29 0.554 7.471 15.699 249 HA THR 29 HA THR 29 0.907 7.582 12.878 250 HB THR 29 HB THR 29 2.936 8.831 14.687 251 HG1 THR 29 HG1 THR 29 0.162 9.306 14.748 252 HG21 THR 29 HG21 THR 29 2.962 9.236 12.259 253 HG22 THR 29 HG22 THR 29 2.632 10.720 13.152 254 HG23 THR 29 HG23 THR 29 1.317 9.862 12.346 255 H VAL 30 H VAL 30 2.185 6.343 11.655 256 HA VAL 30 HA VAL 30 3.712 4.264 12.590 257 HB VAL 30 HB VAL 30 4.659 4.125 10.281 258 HG11 VAL 30 HG11 VAL 30 1.676 4.477 10.549 259 HG12 VAL 30 HG12 VAL 30 2.591 3.008 10.888 260 HG13 VAL 30 HG13 VAL 30 2.491 3.624 9.238 261 HG21 VAL 30 HG21 VAL 30 3.738 5.590 8.554 262 HG22 VAL 30 HG22 VAL 30 4.701 6.510 9.711 263 HG23 VAL 30 HG23 VAL 30 2.939 6.560 9.792 264 H ASP 31 H ASP 31 4.932 7.502 11.749 265 HA ASP 31 HA ASP 31 7.239 6.903 13.444 266 HB2 ASP 31 HB2 ASP 31 7.773 6.732 10.877 267 HB3 ASP 31 HB3 ASP 31 7.710 8.490 10.936 268 H ALA 32 H ALA 32 8.395 9.559 12.815 269 HA ALA 32 HA ALA 32 8.303 11.761 13.195 270 HB1 ALA 32 HB1 ALA 32 5.295 11.586 13.265 271 HB2 ALA 32 HB2 ALA 32 6.271 11.825 11.816 272 HB3 ALA 32 HB3 ALA 32 6.273 13.050 13.087 273 H ALA 33 H ALA 33 6.172 9.930 15.303 274 HA ALA 33 HA ALA 33 7.193 11.164 17.682 275 HB1 ALA 33 HB1 ALA 33 4.297 11.607 16.930 276 HB2 ALA 33 HB2 ALA 33 5.540 12.856 17.014 277 HB3 ALA 33 HB3 ALA 33 5.035 12.015 18.481 278 H LYS 34 H LYS 34 5.025 9.082 15.967 279 HA LYS 34 HA LYS 34 3.989 7.113 16.335 280 HB2 LYS 34 HB2 LYS 34 6.174 6.681 18.388 281 HB3 LYS 34 HB3 LYS 34 5.146 5.429 17.705 282 HG2 LYS 34 HG2 LYS 34 6.113 5.761 15.520 283 HG3 LYS 34 HG3 LYS 34 7.049 7.138 16.109 284 HD2 LYS 34 HD2 LYS 34 8.149 5.567 17.729 285 HD3 LYS 34 HD3 LYS 34 7.341 4.245 16.887 286 HE2 LYS 34 HE2 LYS 34 9.206 6.222 15.586 287 HE3 LYS 34 HE3 LYS 34 9.680 4.623 16.151 288 HZ1 LYS 34 HZ1 LYS 34 9.136 4.888 13.709 289 HZ2 LYS 34 HZ2 LYS 34 7.512 4.998 14.172 290 HZ3 LYS 34 HZ3 LYS 34 8.396 3.594 14.510 291 H LYS 35 H LYS 35 2.468 8.855 17.262 292 HA LYS 35 HA LYS 35 1.863 8.272 20.078 293 HB2 LYS 35 HB2 LYS 35 0.650 10.421 20.105 294 HB3 LYS 35 HB3 LYS 35 2.344 10.627 19.716 295 HG2 LYS 35 HG2 LYS 35 1.916 11.180 17.510 296 HG3 LYS 35 HG3 LYS 35 0.316 10.436 17.531 297 HD2 LYS 35 HD2 LYS 35 1.077 12.904 19.091 298 HD3 LYS 35 HD3 LYS 35 0.264 12.922 17.524 299 HE2 LYS 35 HE2 LYS 35 -1.618 11.697 18.464 300 HE3 LYS 35 HE3 LYS 35 -0.799 11.603 20.022 301 HZ1 LYS 35 HZ1 LYS 35 -0.887 13.997 20.188 302 HZ2 LYS 35 HZ2 LYS 35 -2.446 13.373 19.972 303 HZ3 LYS 35 HZ3 LYS 35 -1.639 14.107 18.675 304 H ARG 36 H ARG 36 -0.379 8.120 20.687 305 HA ARG 36 HA ARG 36 -2.016 6.893 18.638 306 HB2 ARG 36 HB2 ARG 36 -2.186 7.072 21.612 307 HB3 ARG 36 HB3 ARG 36 -3.670 6.801 20.708 308 HG2 ARG 36 HG2 ARG 36 -2.835 4.679 21.366 309 HG3 ARG 36 HG3 ARG 36 -2.568 4.831 19.632 310 HD2 ARG 36 HD2 ARG 36 -0.624 3.839 20.631 311 HD3 ARG 36 HD3 ARG 36 -0.216 5.471 20.107 312 HE ARG 36 HE ARG 36 -1.032 5.188 22.877 313 HH11 ARG 36 HH11 ARG 36 1.692 5.305 20.650 314 HH12 ARG 36 HH12 ARG 36 2.808 5.826 21.873 315 HH21 ARG 36 HH21 ARG 36 0.444 5.809 24.470 316 HH22 ARG 36 HH22 ARG 36 2.107 6.097 24.048 317 H VAL 37 H VAL 37 -3.136 8.042 17.370 318 HA VAL 37 HA VAL 37 -4.007 10.745 18.115 319 HB VAL 37 HB VAL 37 -4.001 9.616 15.310 320 HG11 VAL 37 HG11 VAL 37 -3.672 12.423 16.337 321 HG12 VAL 37 HG12 VAL 37 -5.162 11.733 15.692 322 HG13 VAL 37 HG13 VAL 37 -3.757 11.934 14.643 323 HG21 VAL 37 HG21 VAL 37 -1.739 9.267 16.158 324 HG22 VAL 37 HG22 VAL 37 -1.653 10.963 16.634 325 HG23 VAL 37 HG23 VAL 37 -1.777 10.533 14.928 326 HA PRO 38 HA PRO 38 -8.266 9.158 17.812 327 HB2 PRO 38 HB2 PRO 38 -9.049 11.959 17.754 328 HB3 PRO 38 HB3 PRO 38 -9.446 10.725 18.939 329 HG2 PRO 38 HG2 PRO 38 -7.784 12.775 19.500 330 HG3 PRO 38 HG3 PRO 38 -7.588 11.166 20.219 331 HD2 PRO 38 HD2 PRO 38 -6.096 12.421 17.948 332 HD3 PRO 38 HD3 PRO 38 -5.487 11.412 19.279 333 H ALA 39 H ALA 39 -8.679 8.423 15.831 334 HA ALA 39 HA ALA 39 -8.591 10.207 13.510 335 HB1 ALA 39 HB1 ALA 39 -8.795 8.183 12.165 336 HB2 ALA 39 HB2 ALA 39 -8.983 7.220 13.632 337 HB3 ALA 39 HB3 ALA 39 -7.458 8.047 13.307 338 H TYR 40 H TYR 40 -10.420 10.197 11.986 339 HA TYR 40 HA TYR 40 -12.951 9.551 13.345 340 HB2 TYR 40 HB2 TYR 40 -12.486 11.964 11.568 341 HB3 TYR 40 HB3 TYR 40 -13.985 11.544 12.389 342 HD1 TYR 40 HD1 TYR 40 -13.474 11.082 15.102 343 HD2 TYR 40 HD2 TYR 40 -11.367 13.732 12.504 344 HE1 TYR 40 HE1 TYR 40 -12.752 12.396 17.031 345 HE2 TYR 40 HE2 TYR 40 -10.633 15.043 14.445 346 HH TYR 40 HH TYR 40 -11.429 15.475 16.758 347 H ALA 41 H ALA 41 -14.679 8.868 12.003 348 HA ALA 41 HA ALA 41 -13.703 7.441 9.668 349 HB1 ALA 41 HB1 ALA 41 -16.418 7.355 10.964 350 HB2 ALA 41 HB2 ALA 41 -15.069 6.278 11.327 351 HB3 ALA 41 HB3 ALA 41 -15.817 6.249 9.728 352 H HIS 42 H HIS 42 -14.934 10.454 10.119 353 HA HIS 42 HA HIS 42 -16.204 10.574 7.485 354 HB2 HIS 42 HB2 HIS 42 -15.987 12.584 9.729 355 HB3 HIS 42 HB3 HIS 42 -16.576 13.022 8.128 356 HD1 HIS 42 HD1 HIS 42 -17.600 11.457 11.296 357 HD2 HIS 42 HD2 HIS 42 -19.042 11.742 7.406 358 HE1 HIS 42 HE1 HIS 42 -20.005 10.719 11.412 359 HE2 HIS 42 HE2 HIS 42 -20.796 10.724 9.016 360 H ASP 43 H ASP 43 -13.202 10.502 8.611 361 HA ASP 43 HA ASP 43 -12.020 12.432 6.771 362 HB2 ASP 43 HB2 ASP 43 -11.209 11.484 9.197 363 HB3 ASP 43 HB3 ASP 43 -10.339 10.391 8.127 364 H LYS 44 H LYS 44 -9.915 11.080 5.644 365 HA LYS 44 HA LYS 44 -11.289 9.116 3.965 366 HB2 LYS 44 HB2 LYS 44 -8.509 10.261 3.625 367 HB3 LYS 44 HB3 LYS 44 -9.362 9.249 2.471 368 HG2 LYS 44 HG2 LYS 44 -10.200 12.013 3.326 369 HG3 LYS 44 HG3 LYS 44 -9.362 11.606 1.829 370 HD2 LYS 44 HD2 LYS 44 -11.259 10.273 1.104 371 HD3 LYS 44 HD3 LYS 44 -12.091 10.591 2.629 372 HE2 LYS 44 HE2 LYS 44 -12.163 12.964 2.121 373 HE3 LYS 44 HE3 LYS 44 -11.258 12.694 0.633 374 HZ1 LYS 44 HZ1 LYS 44 -13.121 11.273 -0.121 375 HZ2 LYS 44 HZ2 LYS 44 -13.554 12.894 0.100 376 HZ3 LYS 44 HZ3 LYS 44 -14.000 11.738 1.255 377 H VAL 45 H VAL 45 -11.427 7.507 5.573 378 HA VAL 45 HA VAL 45 -8.901 6.281 6.394 379 HB VAL 45 HB VAL 45 -11.681 5.736 7.475 380 HG11 VAL 45 HG11 VAL 45 -10.531 4.552 9.282 381 HG12 VAL 45 HG12 VAL 45 -8.982 4.844 8.492 382 HG13 VAL 45 HG13 VAL 45 -10.187 3.816 7.716 383 HG21 VAL 45 HG21 VAL 45 -10.931 7.990 8.034 384 HG22 VAL 45 HG22 VAL 45 -9.420 7.338 8.670 385 HG23 VAL 45 HG23 VAL 45 -10.949 6.959 9.465 386 H ILE 46 H ILE 46 -8.239 5.028 4.872 387 HA ILE 46 HA ILE 46 -9.974 2.847 3.910 388 HB ILE 46 HB ILE 46 -7.407 3.947 2.685 389 HG12 ILE 46 HG12 ILE 46 -9.215 5.542 2.363 390 HG13 ILE 46 HG13 ILE 46 -8.807 4.767 0.838 391 HG21 ILE 46 HG21 ILE 46 -7.878 2.565 0.731 392 HG22 ILE 46 HG22 ILE 46 -9.276 1.873 1.553 393 HG23 ILE 46 HG23 ILE 46 -7.653 1.582 2.180 394 HD11 ILE 46 HD11 ILE 46 -11.186 4.128 2.567 395 HD12 ILE 46 HD12 ILE 46 -10.774 3.317 1.056 396 HD13 ILE 46 HD13 ILE 46 -11.204 5.029 1.050 397 H SER 47 H SER 47 -8.972 0.679 4.080 398 HA SER 47 HA SER 47 -6.701 0.576 5.932 399 HB2 SER 47 HB2 SER 47 -8.284 -1.740 4.769 400 HB3 SER 47 HB3 SER 47 -7.197 -1.779 6.163 401 HG SER 47 HG SER 47 -9.170 0.094 6.404 402 H LEU 48 H LEU 48 -4.637 -0.118 5.236 403 HA LEU 48 HA LEU 48 -4.143 -0.034 2.415 404 HB2 LEU 48 HB2 LEU 48 -2.557 0.725 4.265 405 HB3 LEU 48 HB3 LEU 48 -2.182 -0.968 4.505 406 HG LEU 48 HG LEU 48 -1.877 0.006 1.724 407 HD11 LEU 48 HD11 LEU 48 0.022 0.849 3.904 408 HD12 LEU 48 HD12 LEU 48 -1.048 1.923 3.002 409 HD13 LEU 48 HD13 LEU 48 0.254 1.072 2.171 410 HD21 LEU 48 HD21 LEU 48 0.163 -1.351 1.855 411 HD22 LEU 48 HD22 LEU 48 -1.254 -2.268 2.368 412 HD23 LEU 48 HD23 LEU 48 -0.132 -1.630 3.571 413 H ALA 49 H ALA 49 -4.697 -2.535 4.751 414 HA ALA 49 HA ALA 49 -3.911 -4.711 3.067 415 HB1 ALA 49 HB1 ALA 49 -3.835 -4.872 5.498 416 HB2 ALA 49 HB2 ALA 49 -4.844 -6.135 4.790 417 HB3 ALA 49 HB3 ALA 49 -5.591 -4.733 5.562 418 H ASP 50 H ASP 50 -6.563 -2.651 3.090 419 HA ASP 50 HA ASP 50 -8.629 -4.469 2.264 420 HB2 ASP 50 HB2 ASP 50 -9.283 -2.509 3.481 421 HB3 ASP 50 HB3 ASP 50 -8.436 -1.446 2.370 422 H ILE 51 H ILE 51 -6.247 -2.435 0.664 423 HA ILE 51 HA ILE 51 -7.458 -2.609 -1.920 424 HB ILE 51 HB ILE 51 -4.552 -1.942 -1.337 425 HG12 ILE 51 HG12 ILE 51 -5.740 0.396 -2.141 426 HG13 ILE 51 HG13 ILE 51 -7.008 -0.324 -1.151 427 HG21 ILE 51 HG21 ILE 51 -6.230 -1.481 -3.809 428 HG22 ILE 51 HG22 ILE 51 -4.916 -2.647 -3.642 429 HG23 ILE 51 HG23 ILE 51 -4.574 -0.918 -3.569 430 HD11 ILE 51 HD11 ILE 51 -5.608 1.172 0.143 431 HD12 ILE 51 HD12 ILE 51 -4.182 0.225 -0.279 432 HD13 ILE 51 HD13 ILE 51 -5.452 -0.488 0.717 433 H ALA 52 H ALA 52 -7.795 -4.499 -2.696 434 HA ALA 52 HA ALA 52 -5.525 -6.343 -3.031 435 HB1 ALA 52 HB1 ALA 52 -7.366 -7.365 -1.798 436 HB2 ALA 52 HB2 ALA 52 -7.178 -8.127 -3.378 437 HB3 ALA 52 HB3 ALA 52 -8.479 -6.968 -3.106 438 H MET 53 H MET 53 -5.491 -7.496 -5.124 439 HA MET 53 HA MET 53 -6.763 -6.126 -7.333 440 HB2 MET 53 HB2 MET 53 -4.661 -5.700 -8.528 441 HB3 MET 53 HB3 MET 53 -4.733 -4.786 -7.031 442 HG2 MET 53 HG2 MET 53 -3.441 -7.325 -6.611 443 HG3 MET 53 HG3 MET 53 -2.669 -6.433 -7.921 444 HE1 MET 53 HE1 MET 53 -3.007 -3.448 -7.207 445 HE2 MET 53 HE2 MET 53 -1.460 -4.157 -7.672 446 HE3 MET 53 HE3 MET 53 -1.565 -3.133 -6.240 447 H TYR 54 H TYR 54 -6.278 -7.283 -9.400 448 HA TYR 54 HA TYR 54 -5.831 -10.139 -8.845 449 HB2 TYR 54 HB2 TYR 54 -7.638 -8.955 -10.964 450 HB3 TYR 54 HB3 TYR 54 -7.383 -10.666 -10.665 451 HD1 TYR 54 HD1 TYR 54 -8.975 -7.594 -9.403 452 HD2 TYR 54 HD2 TYR 54 -8.500 -11.784 -8.855 453 HE1 TYR 54 HE1 TYR 54 -10.894 -7.609 -7.867 454 HE2 TYR 54 HE2 TYR 54 -10.419 -11.806 -7.332 455 HH TYR 54 HH TYR 54 -11.609 -10.264 -5.866 456 H THR 55 H THR 55 -5.169 -11.360 -10.763 457 HA THR 55 HA THR 55 -3.633 -9.997 -12.780 458 HB THR 55 HB THR 55 -2.093 -9.849 -10.885 459 HG1 THR 55 HG1 THR 55 -0.327 -11.231 -11.708 460 HG21 THR 55 HG21 THR 55 -2.938 -11.617 -9.479 461 HG22 THR 55 HG22 THR 55 -1.207 -11.824 -9.744 462 HG23 THR 55 HG23 THR 55 -2.359 -12.838 -10.614 463 H ASP 56 H ASP 56 -2.120 -12.279 -13.611 464 HA ASP 56 HA ASP 56 -3.958 -14.094 -14.729 465 HB2 ASP 56 HB2 ASP 56 -1.687 -13.759 -15.600 466 HB3 ASP 56 HB3 ASP 56 -1.002 -14.466 -14.147 467 H ALA 57 H ALA 57 -2.082 -14.207 -11.757 468 HA ALA 57 HA ALA 57 -3.215 -16.729 -10.883 469 HB1 ALA 57 HB1 ALA 57 -1.836 -16.384 -8.881 470 HB2 ALA 57 HB2 ALA 57 -1.412 -14.767 -9.448 471 HB3 ALA 57 HB3 ALA 57 -0.884 -16.185 -10.354 472 H GLU 58 H GLU 58 -3.730 -16.398 -8.260 473 HA GLU 58 HA GLU 58 -6.300 -15.209 -8.202 474 HB2 GLU 58 HB2 GLU 58 -4.628 -16.291 -5.924 475 HB3 GLU 58 HB3 GLU 58 -6.338 -15.907 -5.828 476 HG2 GLU 58 HG2 GLU 58 -6.563 -18.113 -6.211 477 HG3 GLU 58 HG3 GLU 58 -6.377 -17.627 -7.894 478 H GLU 59 H GLU 59 -6.627 -14.102 -5.726 479 HA GLU 59 HA GLU 59 -6.020 -11.384 -6.308 480 HB2 GLU 59 HB2 GLU 59 -7.059 -12.354 -3.653 481 HB3 GLU 59 HB3 GLU 59 -7.356 -10.819 -4.453 482 HG2 GLU 59 HG2 GLU 59 -8.675 -11.985 -6.160 483 HG3 GLU 59 HG3 GLU 59 -8.416 -13.497 -5.291 484 H VAL 60 H VAL 60 -4.156 -10.420 -5.928 485 HA VAL 60 HA VAL 60 -2.589 -11.244 -3.589 486 HB VAL 60 HB VAL 60 -0.636 -10.098 -4.670 487 HG11 VAL 60 HG11 VAL 60 -0.207 -11.882 -6.313 488 HG12 VAL 60 HG12 VAL 60 -1.905 -12.350 -6.220 489 HG13 VAL 60 HG13 VAL 60 -0.872 -12.501 -4.800 490 HG21 VAL 60 HG21 VAL 60 -0.709 -9.659 -7.088 491 HG22 VAL 60 HG22 VAL 60 -1.794 -8.595 -6.194 492 HG23 VAL 60 HG23 VAL 60 -2.446 -9.970 -7.088 493 HA PRO 61 HA PRO 61 -3.519 -7.309 -1.695 494 HB2 PRO 61 HB2 PRO 61 -1.127 -7.754 -0.053 495 HB3 PRO 61 HB3 PRO 61 -2.819 -7.655 0.436 496 HG2 PRO 61 HG2 PRO 61 -1.441 -9.970 0.477 497 HG3 PRO 61 HG3 PRO 61 -3.178 -9.909 0.127 498 HD2 PRO 61 HD2 PRO 61 -0.869 -10.197 -1.752 499 HD3 PRO 61 HD3 PRO 61 -2.447 -11.012 -1.773 500 H LEU 62 H LEU 62 -2.719 -5.230 -1.529 501 HA LEU 62 HA LEU 62 -0.942 -4.316 -3.505 502 HB2 LEU 62 HB2 LEU 62 -2.833 -3.048 -2.474 503 HB3 LEU 62 HB3 LEU 62 -1.864 -2.861 -1.026 504 HG LEU 62 HG LEU 62 -0.146 -1.684 -2.498 505 HD11 LEU 62 HD11 LEU 62 -0.981 -0.686 -4.546 506 HD12 LEU 62 HD12 LEU 62 -2.500 -1.569 -4.371 507 HD13 LEU 62 HD13 LEU 62 -0.993 -2.446 -4.645 508 HD21 LEU 62 HD21 LEU 62 -1.511 -0.460 -0.947 509 HD22 LEU 62 HD22 LEU 62 -2.862 -0.464 -2.082 510 HD23 LEU 62 HD23 LEU 62 -1.392 0.436 -2.465 511 H SER 63 H SER 63 -0.430 -5.182 -0.187 512 HA SER 63 HA SER 63 1.984 -3.793 0.300 513 HB2 SER 63 HB2 SER 63 2.172 -5.524 2.175 514 HB3 SER 63 HB3 SER 63 0.742 -4.489 2.180 515 HG SER 63 HG SER 63 0.982 -7.224 1.649 516 H GLU 64 H GLU 64 1.272 -6.947 -1.064 517 HA GLU 64 HA GLU 64 3.940 -7.973 -0.850 518 HB2 GLU 64 HB2 GLU 64 1.814 -8.999 -2.725 519 HB3 GLU 64 HB3 GLU 64 3.136 -9.893 -1.996 520 HG2 GLU 64 HG2 GLU 64 0.692 -8.839 -0.606 521 HG3 GLU 64 HG3 GLU 64 1.034 -10.515 -1.011 522 H VAL 65 H VAL 65 2.089 -6.261 -3.281 523 HA VAL 65 HA VAL 65 3.908 -6.937 -5.400 524 HB VAL 65 HB VAL 65 2.528 -5.604 -6.871 525 HG11 VAL 65 HG11 VAL 65 0.898 -7.308 -5.000 526 HG12 VAL 65 HG12 VAL 65 1.820 -7.866 -6.397 527 HG13 VAL 65 HG13 VAL 65 0.417 -6.822 -6.627 528 HG21 VAL 65 HG21 VAL 65 0.490 -4.479 -6.086 529 HG22 VAL 65 HG22 VAL 65 1.952 -3.724 -5.451 530 HG23 VAL 65 HG23 VAL 65 0.980 -4.772 -4.417 531 H LEU 66 H LEU 66 3.451 -4.165 -3.262 532 HA LEU 66 HA LEU 66 5.349 -2.513 -4.623 533 HB2 LEU 66 HB2 LEU 66 5.273 -1.042 -2.725 534 HB3 LEU 66 HB3 LEU 66 3.652 -1.528 -3.151 535 HG LEU 66 HG LEU 66 4.136 -3.304 -1.181 536 HD11 LEU 66 HD11 LEU 66 6.372 -2.459 -0.726 537 HD12 LEU 66 HD12 LEU 66 5.295 -2.170 0.641 538 HD13 LEU 66 HD13 LEU 66 5.714 -0.847 -0.448 539 HD21 LEU 66 HD21 LEU 66 2.875 -1.840 0.277 540 HD22 LEU 66 HD22 LEU 66 2.234 -1.756 -1.366 541 HD23 LEU 66 HD23 LEU 66 3.252 -0.453 -0.749 542 H GLU 67 H GLU 67 5.541 -5.064 -2.310 543 HA GLU 67 HA GLU 67 8.109 -4.561 -1.230 544 HB2 GLU 67 HB2 GLU 67 6.433 -6.015 -0.168 545 HB3 GLU 67 HB3 GLU 67 6.565 -7.146 -1.505 546 HG2 GLU 67 HG2 GLU 67 9.167 -6.721 -0.473 547 HG3 GLU 67 HG3 GLU 67 8.085 -7.029 0.883 548 H ALA 68 H ALA 68 6.957 -6.443 -3.970 549 HA ALA 68 HA ALA 68 9.424 -7.752 -4.483 550 HB1 ALA 68 HB1 ALA 68 7.012 -7.446 -6.250 551 HB2 ALA 68 HB2 ALA 68 7.262 -8.715 -5.051 552 HB3 ALA 68 HB3 ALA 68 8.319 -8.612 -6.461 553 H VAL 69 H VAL 69 7.854 -4.878 -5.933 554 HA VAL 69 HA VAL 69 9.894 -4.525 -7.906 555 HB VAL 69 HB VAL 69 8.979 -2.219 -8.229 556 HG11 VAL 69 HG11 VAL 69 6.978 -4.464 -8.283 557 HG12 VAL 69 HG12 VAL 69 8.158 -4.080 -9.536 558 HG13 VAL 69 HG13 VAL 69 6.851 -2.952 -9.182 559 HG21 VAL 69 HG21 VAL 69 6.959 -3.041 -6.138 560 HG22 VAL 69 HG22 VAL 69 6.853 -1.617 -7.173 561 HG23 VAL 69 HG23 VAL 69 8.149 -1.747 -5.985 562 H LYS 70 H LYS 70 9.439 -3.372 -4.640 563 HA LYS 70 HA LYS 70 11.567 -1.521 -4.464 564 HB2 LYS 70 HB2 LYS 70 9.765 -1.624 -2.832 565 HB3 LYS 70 HB3 LYS 70 10.245 -3.253 -2.367 566 HG2 LYS 70 HG2 LYS 70 12.412 -2.291 -1.572 567 HG3 LYS 70 HG3 LYS 70 11.735 -0.690 -1.885 568 HD2 LYS 70 HD2 LYS 70 11.424 -1.176 0.432 569 HD3 LYS 70 HD3 LYS 70 9.852 -1.264 -0.360 570 HE2 LYS 70 HE2 LYS 70 9.996 -3.691 -0.425 571 HE3 LYS 70 HE3 LYS 70 11.602 -3.629 0.303 572 HZ1 LYS 70 HZ1 LYS 70 9.092 -2.695 1.585 573 HZ2 LYS 70 HZ2 LYS 70 10.632 -2.654 2.282 574 HZ3 LYS 70 HZ3 LYS 70 9.900 -4.139 1.939 575 H LYS 71 H LYS 71 11.379 -4.992 -4.174 576 HA LYS 71 HA LYS 71 13.814 -5.521 -2.871 577 HB2 LYS 71 HB2 LYS 71 11.787 -7.001 -3.149 578 HB3 LYS 71 HB3 LYS 71 12.343 -7.325 -4.781 579 HG2 LYS 71 HG2 LYS 71 14.306 -8.418 -3.974 580 HG3 LYS 71 HG3 LYS 71 13.969 -7.900 -2.319 581 HD2 LYS 71 HD2 LYS 71 12.233 -9.751 -3.957 582 HD3 LYS 71 HD3 LYS 71 13.355 -10.258 -2.694 583 HE2 LYS 71 HE2 LYS 71 12.084 -8.958 -1.049 584 HE3 LYS 71 HE3 LYS 71 10.969 -8.446 -2.313 585 HZ1 LYS 71 HZ1 LYS 71 11.360 -11.184 -1.259 586 HZ2 LYS 71 HZ2 LYS 71 10.474 -10.849 -2.662 587 HZ3 LYS 71 HZ3 LYS 71 9.958 -10.228 -1.170 588 H LYS 72 H LYS 72 13.011 -5.142 -6.297 589 HA LYS 72 HA LYS 72 15.570 -5.955 -7.271 590 HB2 LYS 72 HB2 LYS 72 13.270 -4.469 -8.506 591 HB3 LYS 72 HB3 LYS 72 14.781 -4.708 -9.372 592 HG2 LYS 72 HG2 LYS 72 12.983 -6.882 -8.311 593 HG3 LYS 72 HG3 LYS 72 13.153 -6.388 -9.998 594 HD2 LYS 72 HD2 LYS 72 15.620 -6.947 -9.762 595 HD3 LYS 72 HD3 LYS 72 15.199 -7.723 -8.235 596 HE2 LYS 72 HE2 LYS 72 15.228 -9.434 -9.867 597 HE3 LYS 72 HE3 LYS 72 13.532 -9.098 -9.529 598 HZ1 LYS 72 HZ1 LYS 72 15.054 -8.035 -11.852 599 HZ2 LYS 72 HZ2 LYS 72 13.411 -7.776 -11.543 600 HZ3 LYS 72 HZ3 LYS 72 13.969 -9.333 -11.908 601 H GLU 73 H GLU 73 14.282 -2.967 -6.069 602 HA GLU 73 HA GLU 73 16.669 -1.497 -6.855 603 HB2 GLU 73 HB2 GLU 73 14.097 -0.681 -5.511 604 HB3 GLU 73 HB3 GLU 73 15.477 0.407 -5.614 605 HG2 GLU 73 HG2 GLU 73 13.985 -0.820 -7.925 606 HG3 GLU 73 HG3 GLU 73 13.913 0.862 -7.400 607 H ASN 74 H ASN 74 16.356 -3.726 -4.725 608 HA ASN 74 HA ASN 74 17.602 -4.449 -3.002 609 HB2 ASN 74 HB2 ASN 74 19.302 -2.803 -4.253 610 HB3 ASN 74 HB3 ASN 74 19.188 -1.949 -2.718 611 HD21 ASN 74 HD21 ASN 74 20.179 -4.858 -4.316 612 HD22 ASN 74 HD22 ASN 74 21.154 -5.478 -3.032 613 H GLY 75 H GLY 75 15.167 -2.783 -2.582 614 HA2 GLY 75 HA2 GLY 75 13.935 -2.468 -0.638 615 HA3 GLY 75 HA3 GLY 75 15.410 -2.616 0.298 616 H ALA 76 H ALA 76 15.111 -0.378 -2.378 617 HA ALA 76 HA ALA 76 15.742 1.798 -0.577 618 HB1 ALA 76 HB1 ALA 76 16.149 3.108 -2.581 619 HB2 ALA 76 HB2 ALA 76 15.501 1.806 -3.579 620 HB3 ALA 76 HB3 ALA 76 16.988 1.557 -2.664 621 H VAL 77 H VAL 77 14.693 3.867 -0.722 622 HA VAL 77 HA VAL 77 11.816 3.528 -0.650 623 HB VAL 77 HB VAL 77 12.650 4.444 1.353 624 HG11 VAL 77 HG11 VAL 77 14.132 6.555 -0.198 625 HG12 VAL 77 HG12 VAL 77 14.843 5.172 0.632 626 HG13 VAL 77 HG13 VAL 77 14.033 6.434 1.559 627 HG21 VAL 77 HG21 VAL 77 11.634 6.655 1.547 628 HG22 VAL 77 HG22 VAL 77 10.608 5.529 0.659 629 HG23 VAL 77 HG23 VAL 77 11.529 6.757 -0.212 630 H ALA 78 H ALA 78 10.986 3.646 -2.599 631 HA ALA 78 HA ALA 78 10.192 4.421 -4.543 632 HB1 ALA 78 HB1 ALA 78 9.320 6.652 -4.543 633 HB2 ALA 78 HB2 ALA 78 10.378 7.098 -3.203 634 HB3 ALA 78 HB3 ALA 78 9.096 5.908 -2.958 635 H SER 79 H SER 79 12.069 3.777 -5.707 636 HA SER 79 HA SER 79 13.955 5.865 -6.449 637 HB2 SER 79 HB2 SER 79 13.846 2.946 -7.239 638 HB3 SER 79 HB3 SER 79 15.179 4.055 -7.563 639 HG SER 79 HG SER 79 15.889 3.561 -5.663 640 H ILE 80 H ILE 80 10.987 4.854 -7.562 641 HA ILE 80 HA ILE 80 11.544 5.472 -10.359 642 HB ILE 80 HB ILE 80 10.151 3.578 -10.214 643 HG12 ILE 80 HG12 ILE 80 8.357 5.951 -10.809 644 HG13 ILE 80 HG13 ILE 80 9.411 5.133 -11.952 645 HG21 ILE 80 HG21 ILE 80 9.469 3.728 -7.914 646 HG22 ILE 80 HG22 ILE 80 8.058 3.459 -8.939 647 HG23 ILE 80 HG23 ILE 80 8.382 5.066 -8.283 648 HD11 ILE 80 HD11 ILE 80 8.041 3.123 -11.781 649 HD12 ILE 80 HD12 ILE 80 7.084 4.520 -12.276 650 HD13 ILE 80 HD13 ILE 80 6.995 3.934 -10.615 651 H ASN 81 H ASN 81 9.639 6.661 -7.639 652 HA ASN 81 HA ASN 81 8.491 8.515 -7.150 653 HB2 ASN 81 HB2 ASN 81 10.339 9.848 -9.138 654 HB3 ASN 81 HB3 ASN 81 9.220 10.705 -8.084 655 HD21 ASN 81 HD21 ASN 81 12.198 9.031 -8.331 656 HD22 ASN 81 HD22 ASN 81 12.750 9.319 -6.715 657 H TYR 82 H TYR 82 6.477 8.630 -7.568 658 HA TYR 82 HA TYR 82 5.306 8.090 -10.079 659 HB2 TYR 82 HB2 TYR 82 3.170 8.448 -8.997 660 HB3 TYR 82 HB3 TYR 82 4.224 7.550 -7.920 661 HD1 TYR 82 HD1 TYR 82 5.590 9.187 -6.207 662 HD2 TYR 82 HD2 TYR 82 1.871 10.083 -8.068 663 HE1 TYR 82 HE1 TYR 82 5.099 10.797 -4.426 664 HE2 TYR 82 HE2 TYR 82 1.372 11.702 -6.287 665 HH TYR 82 HH TYR 82 2.066 12.074 -3.877 666 H LYS 83 H LYS 83 6.348 11.050 -8.671 667 HA LYS 83 HA LYS 83 4.543 12.784 -10.024 668 HB2 LYS 83 HB2 LYS 83 6.115 14.582 -9.238 669 HB3 LYS 83 HB3 LYS 83 5.475 13.552 -7.969 670 HG2 LYS 83 HG2 LYS 83 7.608 12.283 -7.981 671 HG3 LYS 83 HG3 LYS 83 8.239 13.419 -9.171 672 HD2 LYS 83 HD2 LYS 83 9.040 14.114 -7.041 673 HD3 LYS 83 HD3 LYS 83 7.780 15.255 -7.513 674 HE2 LYS 83 HE2 LYS 83 6.175 13.954 -6.119 675 HE3 LYS 83 HE3 LYS 83 7.526 12.960 -5.575 676 HZ1 LYS 83 HZ1 LYS 83 8.579 15.027 -4.748 677 HZ2 LYS 83 HZ2 LYS 83 7.133 14.636 -3.959 678 HZ3 LYS 83 HZ3 LYS 83 7.154 15.870 -5.120 679 H LYS 84 H LYS 84 7.771 11.555 -10.763 680 HA LYS 84 HA LYS 84 7.892 13.261 -13.137 681 HB2 LYS 84 HB2 LYS 84 10.262 12.557 -13.273 682 HB3 LYS 84 HB3 LYS 84 9.865 13.347 -11.754 683 HG2 LYS 84 HG2 LYS 84 9.674 11.089 -10.714 684 HG3 LYS 84 HG3 LYS 84 10.264 10.400 -12.226 685 HD2 LYS 84 HD2 LYS 84 12.083 10.636 -10.640 686 HD3 LYS 84 HD3 LYS 84 12.323 11.729 -12.007 687 HE2 LYS 84 HE2 LYS 84 11.330 13.553 -10.628 688 HE3 LYS 84 HE3 LYS 84 11.281 12.435 -9.267 689 HZ1 LYS 84 HZ1 LYS 84 13.722 13.327 -10.698 690 HZ2 LYS 84 HZ2 LYS 84 13.688 12.227 -9.409 691 HZ3 LYS 84 HZ3 LYS 84 13.222 13.836 -9.161 692 H ALA 85 H ALA 85 6.643 10.342 -12.485 693 HA ALA 85 HA ALA 85 7.629 9.127 -14.973 694 HB1 ALA 85 HB1 ALA 85 6.507 7.741 -12.542 695 HB2 ALA 85 HB2 ALA 85 8.214 7.852 -12.977 696 HB3 ALA 85 HB3 ALA 85 7.097 6.955 -14.006 697 H SER 86 H SER 86 6.227 8.275 -16.422 698 HA SER 86 HA SER 86 3.583 9.439 -16.487 699 HB2 SER 86 HB2 SER 86 4.840 7.597 -18.524 700 HB3 SER 86 HB3 SER 86 3.586 8.809 -18.788 701 HG SER 86 HG SER 86 6.344 9.123 -18.479 702 H ALA 87 H ALA 87 1.756 8.047 -17.367 703 HA ALA 87 HA ALA 87 1.069 6.084 -15.486 704 HB1 ALA 87 HB1 ALA 87 -0.561 7.441 -16.709 705 HB2 ALA 87 HB2 ALA 87 -0.920 5.717 -16.815 706 HB3 ALA 87 HB3 ALA 87 -0.184 6.552 -18.183 707 H ASP 88 H ASP 88 2.388 5.721 -18.746 708 HA ASP 88 HA ASP 88 1.964 2.936 -19.011 709 HB2 ASP 88 HB2 ASP 88 3.778 4.899 -20.357 710 HB3 ASP 88 HB3 ASP 88 3.952 3.179 -20.688 711 H GLU 89 H GLU 89 4.756 4.787 -17.832 712 HA GLU 89 HA GLU 89 6.306 2.405 -17.475 713 HB2 GLU 89 HB2 GLU 89 8.061 3.836 -16.621 714 HB3 GLU 89 HB3 GLU 89 7.423 4.446 -18.138 715 HG2 GLU 89 HG2 GLU 89 5.987 5.982 -16.699 716 HG3 GLU 89 HG3 GLU 89 7.072 5.538 -15.382 717 H LEU 90 H LEU 90 4.156 4.242 -15.442 718 HA LEU 90 HA LEU 90 4.958 3.315 -12.921 719 HB2 LEU 90 HB2 LEU 90 2.529 4.441 -14.080 720 HB3 LEU 90 HB3 LEU 90 2.187 3.297 -12.799 721 HG LEU 90 HG LEU 90 2.252 5.611 -11.970 722 HD11 LEU 90 HD11 LEU 90 4.547 3.964 -10.943 723 HD12 LEU 90 HD12 LEU 90 2.861 3.827 -10.440 724 HD13 LEU 90 HD13 LEU 90 3.767 5.302 -10.102 725 HD21 LEU 90 HD21 LEU 90 4.330 6.850 -11.854 726 HD22 LEU 90 HD22 LEU 90 3.876 6.540 -13.530 727 HD23 LEU 90 HD23 LEU 90 5.151 5.586 -12.770 728 H HIS 91 H HIS 91 2.964 1.697 -15.413 729 HA HIS 91 HA HIS 91 2.857 -0.655 -13.700 730 HB2 HIS 91 HB2 HIS 91 1.318 -1.652 -15.338 731 HB3 HIS 91 HB3 HIS 91 0.741 -0.122 -14.716 732 HD1 HIS 91 HD1 HIS 91 -0.087 1.477 -16.417 733 HD2 HIS 91 HD2 HIS 91 2.362 -1.422 -18.097 734 HE1 HIS 91 HE1 HIS 91 -0.233 1.825 -18.898 735 HE2 HIS 91 HE2 HIS 91 1.424 0.202 -19.875 736 H ALA 92 H ALA 92 4.823 0.533 -16.222 737 HA ALA 92 HA ALA 92 5.707 -2.038 -17.191 738 HB1 ALA 92 HB1 ALA 92 5.847 -0.054 -18.612 739 HB2 ALA 92 HB2 ALA 92 7.431 -0.793 -18.384 740 HB3 ALA 92 HB3 ALA 92 7.002 0.671 -17.494 741 H TYR 93 H TYR 93 6.774 0.296 -14.799 742 HA TYR 93 HA TYR 93 9.090 -1.041 -13.883 743 HB2 TYR 93 HB2 TYR 93 8.653 1.281 -13.323 744 HB3 TYR 93 HB3 TYR 93 7.160 0.844 -12.510 745 HD1 TYR 93 HD2 TYR 93 10.834 0.166 -12.316 746 HD2 TYR 93 HD1 TYR 93 7.170 0.664 -10.210 747 HE1 TYR 93 HE2 TYR 93 12.043 0.010 -10.180 748 HE2 TYR 93 HE1 TYR 93 8.370 0.508 -8.074 749 HH TYR 93 HH TYR 93 11.828 0.528 -7.898 750 H PHE 94 H PHE 94 5.689 -1.496 -13.345 751 HA PHE 94 HA PHE 94 5.922 -3.225 -11.081 752 HB2 PHE 94 HB2 PHE 94 3.926 -1.817 -11.645 753 HB3 PHE 94 HB3 PHE 94 3.617 -2.890 -13.005 754 HD1 PHE 94 HD1 PHE 94 4.228 -3.052 -9.355 755 HD2 PHE 94 HD2 PHE 94 2.112 -4.589 -12.703 756 HE1 PHE 94 HE1 PHE 94 2.950 -4.508 -7.864 757 HE2 PHE 94 HE2 PHE 94 0.821 -6.058 -11.215 758 HZ PHE 94 HZ PHE 94 1.243 -6.018 -8.791 759 H ALA 95 H ALA 95 6.063 -3.584 -14.533 760 HA ALA 95 HA ALA 95 5.604 -6.428 -14.597 761 HB1 ALA 95 HB1 ALA 95 4.973 -5.009 -16.481 762 HB2 ALA 95 HB2 ALA 95 6.132 -6.247 -16.972 763 HB3 ALA 95 HB3 ALA 95 6.664 -4.581 -16.733 764 H GLU 96 H GLU 96 8.123 -4.701 -13.463 765 HA GLU 96 HA GLU 96 10.457 -6.021 -14.300 766 HB2 GLU 96 HB2 GLU 96 10.431 -3.978 -12.929 767 HB3 GLU 96 HB3 GLU 96 9.692 -4.861 -11.607 768 HG2 GLU 96 HG2 GLU 96 11.968 -4.551 -11.078 769 HG3 GLU 96 HG3 GLU 96 11.750 -6.249 -11.486 770 H VAL 97 H VAL 97 8.100 -6.745 -11.781 771 HA VAL 97 HA VAL 97 9.408 -9.326 -11.324 772 HB VAL 97 HB VAL 97 8.203 -9.349 -9.122 773 HG11 VAL 97 HG11 VAL 97 10.148 -7.107 -9.646 774 HG12 VAL 97 HG12 VAL 97 10.548 -8.786 -9.282 775 HG13 VAL 97 HG13 VAL 97 9.772 -7.778 -8.058 776 HG21 VAL 97 HG21 VAL 97 7.668 -6.444 -9.780 777 HG22 VAL 97 HG22 VAL 97 7.399 -7.215 -8.215 778 HG23 VAL 97 HG23 VAL 97 6.449 -7.710 -9.616 779 H LEU 98 H LEU 98 6.317 -7.776 -12.033 780 HA LEU 98 HA LEU 98 5.158 -10.463 -12.398 781 HB2 LEU 98 HB2 LEU 98 3.640 -7.975 -11.590 782 HB3 LEU 98 HB3 LEU 98 2.973 -9.581 -11.782 783 HG LEU 98 HG LEU 98 4.926 -8.731 -9.636 784 HD11 LEU 98 HD11 LEU 98 1.994 -9.400 -9.507 785 HD12 LEU 98 HD12 LEU 98 2.709 -7.799 -9.316 786 HD13 LEU 98 HD13 LEU 98 3.035 -9.059 -8.125 787 HD21 LEU 98 HD21 LEU 98 4.522 -10.928 -8.658 788 HD22 LEU 98 HD22 LEU 98 5.241 -11.073 -10.263 789 HD23 LEU 98 HD23 LEU 98 3.515 -11.366 -10.041 790 HA PRO 99 HA PRO 99 4.549 -8.483 -16.466 791 HB2 PRO 99 HB2 PRO 99 5.532 -10.434 -17.997 792 HB3 PRO 99 HB3 PRO 99 6.601 -9.348 -17.106 793 HG2 PRO 99 HG2 PRO 99 5.878 -12.175 -16.543 794 HG3 PRO 99 HG3 PRO 99 7.394 -11.315 -16.229 795 HD2 PRO 99 HD2 PRO 99 5.309 -11.834 -14.379 796 HD3 PRO 99 HD3 PRO 99 6.727 -10.797 -14.129 797 H ASN 100 H ASN 100 2.927 -10.673 -14.786 798 HA ASN 100 HA ASN 100 1.359 -11.792 -17.008 799 HB2 ASN 100 HB2 ASN 100 0.689 -13.563 -15.458 800 HB3 ASN 100 HB3 ASN 100 2.439 -13.458 -15.563 801 HD21 ASN 100 HD21 ASN 100 0.679 -14.579 -13.495 802 HD22 ASN 100 HD22 ASN 100 1.153 -13.816 -12.017 803 H TYR 101 H TYR 101 1.257 -9.245 -15.174 804 HA TYR 101 HA TYR 101 -1.254 -9.397 -13.846 805 HB2 TYR 101 HB2 TYR 101 -0.862 -7.112 -13.204 806 HB3 TYR 101 HB3 TYR 101 0.671 -7.963 -13.106 807 HD1 TYR 101 HD1 TYR 101 1.917 -7.854 -15.619 808 HD2 TYR 101 HD2 TYR 101 -0.643 -4.934 -13.898 809 HE1 TYR 101 HE1 TYR 101 2.918 -6.149 -17.056 810 HE2 TYR 101 HE2 TYR 101 0.357 -3.208 -15.328 811 HH TYR 101 HH TYR 101 2.695 -2.966 -16.565 812 H ASP 102 H ASP 102 -3.211 -8.471 -14.379 813 HA ASP 102 HA ASP 102 -3.517 -7.541 -17.140 814 HB2 ASP 102 HB2 ASP 102 -5.075 -9.310 -16.293 815 HB3 ASP 102 HB3 ASP 102 -5.661 -8.159 -15.101 816 H ARG 103 H ARG 103 -3.994 -5.414 -17.551 817 HA ARG 103 HA ARG 103 -3.219 -3.597 -15.503 818 HB2 ARG 103 HB2 ARG 103 -3.399 -1.861 -17.209 819 HB3 ARG 103 HB3 ARG 103 -2.535 -3.265 -17.819 820 HG2 ARG 103 HG2 ARG 103 -4.504 -3.987 -19.026 821 HG3 ARG 103 HG3 ARG 103 -5.426 -2.629 -18.380 822 HD2 ARG 103 HD2 ARG 103 -3.706 -1.125 -19.455 823 HD3 ARG 103 HD3 ARG 103 -3.097 -2.557 -20.281 824 HE ARG 103 HE ARG 103 -5.930 -1.865 -20.562 825 HH11 ARG 103 HH11 ARG 103 -2.750 -2.187 -22.011 826 HH12 ARG 103 HH12 ARG 103 -3.322 -1.939 -23.630 827 HH21 ARG 103 HH21 ARG 103 -6.692 -1.574 -22.679 828 HH22 ARG 103 HH22 ARG 103 -5.578 -1.591 -24.011 829 H ASP 104 H ASP 104 -6.319 -4.700 -16.544 830 HA ASP 104 HA ASP 104 -7.773 -2.436 -15.466 831 HB2 ASP 104 HB2 ASP 104 -8.710 -3.728 -17.339 832 HB3 ASP 104 HB3 ASP 104 -8.703 -5.186 -16.354 833 H ARG 105 H ARG 105 -7.015 -5.744 -14.589 834 HA ARG 105 HA ARG 105 -8.611 -5.813 -12.228 835 HB2 ARG 105 HB2 ARG 105 -6.403 -7.655 -13.151 836 HB3 ARG 105 HB3 ARG 105 -7.559 -8.003 -11.876 837 HG2 ARG 105 HG2 ARG 105 -8.253 -7.538 -14.760 838 HG3 ARG 105 HG3 ARG 105 -8.098 -9.113 -13.986 839 HD2 ARG 105 HD2 ARG 105 -9.974 -8.698 -12.585 840 HD3 ARG 105 HD3 ARG 105 -10.024 -6.997 -13.056 841 HE ARG 105 HE ARG 105 -10.308 -8.370 -15.400 842 HH11 ARG 105 HH11 ARG 105 -12.085 -8.353 -12.366 843 HH12 ARG 105 HH12 ARG 105 -13.609 -8.688 -13.123 844 HH21 ARG 105 HH21 ARG 105 -12.295 -8.809 -16.374 845 HH22 ARG 105 HH22 ARG 105 -13.726 -8.954 -15.402 846 H VAL 106 H VAL 106 -5.191 -5.241 -12.878 847 HA VAL 106 HA VAL 106 -4.526 -5.064 -10.081 848 HB VAL 106 HB VAL 106 -2.912 -5.808 -11.938 849 HG11 VAL 106 HG11 VAL 106 -2.635 -2.839 -12.326 850 HG12 VAL 106 HG12 VAL 106 -3.215 -4.006 -13.513 851 HG13 VAL 106 HG13 VAL 106 -1.538 -4.063 -12.969 852 HG21 VAL 106 HG21 VAL 106 -2.030 -3.744 -9.943 853 HG22 VAL 106 HG22 VAL 106 -0.968 -4.860 -10.798 854 HG23 VAL 106 HG23 VAL 106 -2.177 -5.482 -9.675 855 H HIS 107 H HIS 107 -5.720 -3.055 -12.561 856 HA HIS 107 HA HIS 107 -6.653 -1.006 -12.631 857 HB2 HIS 107 HB2 HIS 107 -5.480 -0.378 -9.902 858 HB3 HIS 107 HB3 HIS 107 -6.637 0.610 -10.784 859 HD1 HIS 107 HD1 HIS 107 -6.382 -2.119 -8.384 860 HD2 HIS 107 HD2 HIS 107 -9.273 -0.656 -10.987 861 HE1 HIS 107 HE1 HIS 107 -8.558 -3.112 -7.597 862 HE2 HIS 107 HE2 HIS 107 -10.286 -2.286 -9.241 863 H ASN 108 H ASN 108 -5.928 1.343 -12.809 864 HA ASN 108 HA ASN 108 -3.001 1.568 -13.028 865 HB2 ASN 108 HB2 ASN 108 -5.021 2.741 -14.956 866 HB3 ASN 108 HB3 ASN 108 -3.336 3.231 -14.891 867 HD21 ASN 108 HD21 ASN 108 -5.580 0.897 -15.985 868 HD22 ASN 108 HD22 ASN 108 -4.456 -0.120 -16.811 869 H GLY 109 H GLY 109 -2.169 3.195 -11.918 870 HA2 GLY 109 HA2 GLY 109 -2.232 5.368 -10.883 871 HA3 GLY 109 HA3 GLY 109 -3.990 5.256 -10.847 872 H ASP 110 H ASP 110 -3.103 2.292 -10.111 873 HA ASP 110 HA ASP 110 -3.531 2.518 -7.292 874 HB2 ASP 110 HB2 ASP 110 -3.432 0.089 -7.298 875 HB3 ASP 110 HB3 ASP 110 -4.390 0.622 -8.675 876 H ILE 111 H ILE 111 -0.809 1.856 -9.416 877 HA ILE 111 HA ILE 111 1.106 1.518 -7.338 878 HB ILE 111 HB ILE 111 1.734 2.286 -10.200 879 HG12 ILE 111 HG12 ILE 111 0.236 0.326 -10.218 880 HG13 ILE 111 HG13 ILE 111 1.852 -0.066 -10.783 881 HG21 ILE 111 HG21 ILE 111 3.822 1.037 -9.806 882 HG22 ILE 111 HG22 ILE 111 3.320 0.752 -8.140 883 HG23 ILE 111 HG23 ILE 111 3.639 2.396 -8.694 884 HD11 ILE 111 HD11 ILE 111 0.682 -0.724 -8.084 885 HD12 ILE 111 HD12 ILE 111 2.344 -1.058 -8.572 886 HD13 ILE 111 HD13 ILE 111 1.005 -1.847 -9.409 887 H LYS 112 H LYS 112 -0.189 4.235 -9.114 888 HA LYS 112 HA LYS 112 1.757 6.198 -8.541 889 HB2 LYS 112 HB2 LYS 112 -1.160 6.285 -9.220 890 HB3 LYS 112 HB3 LYS 112 -0.315 7.758 -8.773 891 HG2 LYS 112 HG2 LYS 112 0.947 6.077 -10.840 892 HG3 LYS 112 HG3 LYS 112 -0.540 6.929 -11.288 893 HD2 LYS 112 HD2 LYS 112 0.524 9.015 -10.351 894 HD3 LYS 112 HD3 LYS 112 2.030 8.101 -10.241 895 HE2 LYS 112 HE2 LYS 112 2.121 7.801 -12.587 896 HE3 LYS 112 HE3 LYS 112 0.468 8.378 -12.794 897 HZ1 LYS 112 HZ1 LYS 112 1.239 10.568 -11.981 898 HZ2 LYS 112 HZ2 LYS 112 1.961 10.096 -13.439 899 HZ3 LYS 112 HZ3 LYS 112 2.831 9.986 -11.990 900 H LYS 113 H LYS 113 -1.282 5.424 -6.841 901 HA LYS 113 HA LYS 113 -0.796 7.171 -4.635 902 HB2 LYS 113 HB2 LYS 113 -2.651 5.943 -3.541 903 HB3 LYS 113 HB3 LYS 113 -3.070 6.473 -5.163 904 HG2 LYS 113 HG2 LYS 113 -2.684 4.227 -6.015 905 HG3 LYS 113 HG3 LYS 113 -2.182 3.689 -4.415 906 HD2 LYS 113 HD2 LYS 113 -4.430 2.965 -4.765 907 HD3 LYS 113 HD3 LYS 113 -4.469 4.276 -3.589 908 HE2 LYS 113 HE2 LYS 113 -5.171 5.832 -5.311 909 HE3 LYS 113 HE3 LYS 113 -5.041 4.567 -6.534 910 HZ1 LYS 113 HZ1 LYS 113 -6.783 3.340 -5.428 911 HZ2 LYS 113 HZ2 LYS 113 -7.332 4.898 -5.811 912 HZ3 LYS 113 HZ3 LYS 113 -6.898 4.518 -4.215 913 H LEU 114 H LEU 114 0.121 3.931 -5.430 914 HA LEU 114 HA LEU 114 0.812 2.986 -2.864 915 HB2 LEU 114 HB2 LEU 114 0.372 1.387 -4.514 916 HB3 LEU 114 HB3 LEU 114 1.424 2.153 -5.676 917 HG LEU 114 HG LEU 114 2.680 0.871 -3.282 918 HD11 LEU 114 HD11 LEU 114 1.652 -0.580 -5.722 919 HD12 LEU 114 HD12 LEU 114 1.006 -0.743 -4.090 920 HD13 LEU 114 HD13 LEU 114 2.649 -1.279 -4.443 921 HD21 LEU 114 HD21 LEU 114 3.401 1.030 -6.208 922 HD22 LEU 114 HD22 LEU 114 4.403 0.350 -4.924 923 HD23 LEU 114 HD23 LEU 114 4.039 2.080 -4.943 924 H ILE 115 H ILE 115 2.600 4.873 -5.280 925 HA ILE 115 HA ILE 115 5.194 4.517 -4.186 926 HB ILE 115 HB ILE 115 4.280 6.969 -5.714 927 HG12 ILE 115 HG12 ILE 115 3.783 5.036 -7.085 928 HG13 ILE 115 HG13 ILE 115 5.189 5.864 -7.736 929 HG21 ILE 115 HG21 ILE 115 6.432 7.281 -4.627 930 HG22 ILE 115 HG22 ILE 115 6.638 7.175 -6.377 931 HG23 ILE 115 HG23 ILE 115 7.036 5.791 -5.358 932 HD11 ILE 115 HD11 ILE 115 6.647 4.165 -6.750 933 HD12 ILE 115 HD12 ILE 115 5.452 3.452 -7.834 934 HD13 ILE 115 HD13 ILE 115 5.234 3.340 -6.087 935 H SER 116 H SER 116 2.587 6.718 -3.371 936 HA SER 116 HA SER 116 3.949 8.480 -1.673 937 HB2 SER 116 HB2 SER 116 1.655 8.876 -2.428 938 HB3 SER 116 HB3 SER 116 1.097 7.476 -1.518 939 HG SER 116 HG SER 116 1.144 8.604 0.267 940 H TRP 117 H TRP 117 2.375 5.346 -0.951 941 HA TRP 117 HA TRP 117 3.251 5.460 1.820 942 HB2 TRP 117 HB2 TRP 117 1.945 3.080 0.514 943 HB3 TRP 117 HB3 TRP 117 1.929 3.542 2.214 944 HD1 TRP 117 HD1 TRP 117 0.773 6.356 2.282 945 HE1 TRP 117 HE1 TRP 117 -1.571 6.921 1.377 946 HE3 TRP 117 HE3 TRP 117 0.107 2.335 -0.788 947 HZ2 TRP 117 HZ2 TRP 117 -3.444 5.803 -0.413 948 HZ3 TRP 117 HZ3 TRP 117 -1.993 2.153 -2.047 949 HH2 TRP 117 HH2 TRP 117 -3.728 3.847 -1.862 950 H TYR 118 H TYR 118 4.455 4.361 -1.105 951 HA TYR 118 HA TYR 118 6.195 2.271 -0.275 952 HB2 TYR 118 HB2 TYR 118 5.383 2.617 -2.567 953 HB3 TYR 118 HB3 TYR 118 6.200 4.161 -2.640 954 HD1 TYR 118 HD1 TYR 118 7.674 0.942 -1.437 955 HD2 TYR 118 HD2 TYR 118 7.466 3.868 -4.509 956 HE1 TYR 118 HE1 TYR 118 9.544 -0.144 -2.605 957 HE2 TYR 118 HE2 TYR 118 9.334 2.796 -5.679 958 HH TYR 118 HH TYR 118 10.417 -0.243 -5.036 959 H ASN 119 H ASN 119 6.394 5.788 -0.507 960 HA ASN 119 HA ASN 119 9.051 6.067 0.424 961 HB2 ASN 119 HB2 ASN 119 6.656 7.877 0.415 962 HB3 ASN 119 HB3 ASN 119 8.105 8.337 1.302 963 HD21 ASN 119 HD21 ASN 119 10.024 8.712 0.160 964 HD22 ASN 119 HD22 ASN 119 10.004 9.084 -1.527 965 H ILE 120 H ILE 120 5.945 5.830 2.098 966 HA ILE 120 HA ILE 120 6.950 6.552 4.675 967 HB ILE 120 HB ILE 120 4.320 5.229 3.961 968 HG12 ILE 120 HG12 ILE 120 4.898 8.168 4.382 969 HG13 ILE 120 HG13 ILE 120 4.824 7.412 2.796 970 HG21 ILE 120 HG21 ILE 120 5.080 6.835 6.407 971 HG22 ILE 120 HG22 ILE 120 4.879 5.083 6.355 972 HG23 ILE 120 HG23 ILE 120 3.492 6.136 6.064 973 HD11 ILE 120 HD11 ILE 120 2.566 7.569 4.780 974 HD12 ILE 120 HD12 ILE 120 2.489 6.825 3.183 975 HD13 ILE 120 HD13 ILE 120 2.754 8.561 3.334 976 H LEU 121 H LEU 121 6.203 3.460 3.117 977 HA LEU 121 HA LEU 121 6.433 1.815 5.413 978 HB2 LEU 121 HB2 LEU 121 6.185 1.429 2.510 979 HB3 LEU 121 HB3 LEU 121 7.041 0.143 3.334 980 HG LEU 121 HG LEU 121 5.107 -0.312 4.740 981 HD11 LEU 121 HD11 LEU 121 2.983 0.807 4.411 982 HD12 LEU 121 HD12 LEU 121 3.727 1.905 3.249 983 HD13 LEU 121 HD13 LEU 121 4.214 1.951 4.943 984 HD21 LEU 121 HD21 LEU 121 3.529 -1.041 3.036 985 HD22 LEU 121 HD22 LEU 121 5.198 -1.402 2.592 986 HD23 LEU 121 HD23 LEU 121 4.362 -0.039 1.846 987 H VAL 122 H VAL 122 8.779 2.663 2.884 988 HA VAL 122 HA VAL 122 10.895 1.127 4.020 989 HB VAL 122 HB VAL 122 11.106 3.447 2.086 990 HG11 VAL 122 HG11 VAL 122 13.020 1.179 2.623 991 HG12 VAL 122 HG12 VAL 122 13.254 2.862 3.101 992 HG13 VAL 122 HG13 VAL 122 13.210 2.427 1.391 993 HG21 VAL 122 HG21 VAL 122 9.621 1.738 1.220 994 HG22 VAL 122 HG22 VAL 122 10.826 0.496 1.554 995 HG23 VAL 122 HG23 VAL 122 11.146 1.728 0.334 996 H ASN 123 H ASN 123 9.651 4.307 4.628 997 HA ASN 123 HA ASN 123 11.932 5.664 5.518 998 HB2 ASN 123 HB2 ASN 123 9.722 6.663 4.856 999 HB3 ASN 123 HB3 ASN 123 9.088 6.160 6.416 1000 HD21 ASN 123 HD21 ASN 123 11.380 8.233 4.803 1001 HD22 ASN 123 HD22 ASN 123 11.582 9.357 6.104 1002 H ASN 124 H ASN 124 9.411 4.061 7.531 1003 HA ASN 124 HA ASN 124 11.313 4.239 9.770 1004 HB2 ASN 124 HB2 ASN 124 9.409 4.156 11.296 1005 HB3 ASN 124 HB3 ASN 124 9.258 5.495 10.172 1006 HD21 ASN 124 HD21 ASN 124 7.634 5.447 8.621 1007 HD22 ASN 124 HD22 ASN 124 6.299 4.357 8.725 1008 H GLY 125 H GLY 125 10.461 2.083 7.579 1009 HA2 GLY 125 HA2 GLY 125 10.790 -0.207 7.478 1010 HA3 GLY 125 HA3 GLY 125 11.219 -0.166 9.180 1011 H ILE 126 H ILE 126 8.253 0.502 7.324 1012 HA ILE 126 HA ILE 126 6.605 -0.966 9.166 1013 HB ILE 126 HB ILE 126 5.953 0.138 6.415 1014 HG12 ILE 126 HG12 ILE 126 5.315 1.216 9.176 1015 HG13 ILE 126 HG13 ILE 126 6.574 1.840 8.119 1016 HG21 ILE 126 HG21 ILE 126 3.603 -0.162 7.030 1017 HG22 ILE 126 HG22 ILE 126 4.091 -0.904 8.554 1018 HG23 ILE 126 HG23 ILE 126 4.459 -1.704 7.025 1019 HD11 ILE 126 HD11 ILE 126 4.864 2.502 6.498 1020 HD12 ILE 126 HD12 ILE 126 4.623 3.261 8.073 1021 HD13 ILE 126 HD13 ILE 126 3.615 1.899 7.586 1022 H THR 127 H THR 127 6.840 -3.074 9.280 1023 HA THR 127 HA THR 127 7.229 -4.627 6.824 1024 HB THR 127 HB THR 127 8.791 -6.089 8.331 1025 HG1 THR 127 HG1 THR 127 8.988 -3.544 9.619 1026 HG21 THR 127 HG21 THR 127 10.758 -4.733 7.676 1027 HG22 THR 127 HG22 THR 127 9.672 -3.408 7.250 1028 HG23 THR 127 HG23 THR 127 9.601 -4.930 6.360 1029 H GLU 128 H GLU 128 5.031 -5.208 6.937 1030 HA GLU 128 HA GLU 128 4.423 -7.225 9.008 1031 HB2 GLU 128 HB2 GLU 128 2.592 -5.341 7.538 1032 HB3 GLU 128 HB3 GLU 128 2.002 -6.755 8.393 1033 HG2 GLU 128 HG2 GLU 128 3.247 -5.749 10.419 1034 HG3 GLU 128 HG3 GLU 128 3.200 -4.254 9.483 1035 H PHE 129 H PHE 129 5.685 -7.321 6.232 1036 HA PHE 129 HA PHE 129 4.120 -9.452 5.072 1037 HB2 PHE 129 HB2 PHE 129 3.987 -8.280 2.824 1038 HB3 PHE 129 HB3 PHE 129 2.935 -7.615 4.064 1039 HD1 PHE 129 HD1 PHE 129 3.534 -5.432 5.135 1040 HD2 PHE 129 HD2 PHE 129 5.666 -6.979 1.795 1041 HE1 PHE 129 HE1 PHE 129 4.481 -3.210 4.711 1042 HE2 PHE 129 HE2 PHE 129 6.618 -4.757 1.375 1043 HZ PHE 129 HZ PHE 129 6.027 -2.876 2.832 1044 H VAL 130 H VAL 130 6.853 -7.255 4.859 1045 HA VAL 130 HA VAL 130 8.429 -9.342 3.556 1046 HB VAL 130 HB VAL 130 8.415 -7.213 2.374 1047 HG11 VAL 130 HG11 VAL 130 9.463 -5.193 3.261 1048 HG12 VAL 130 HG12 VAL 130 9.610 -5.969 4.838 1049 HG13 VAL 130 HG13 VAL 130 8.015 -5.645 4.159 1050 HG21 VAL 130 HG21 VAL 130 11.096 -7.782 3.612 1051 HG22 VAL 130 HG22 VAL 130 10.817 -6.836 2.149 1052 HG23 VAL 130 HG23 VAL 130 10.405 -8.551 2.181 1053 H GLU 131 H GLU 131 10.032 -10.339 4.606 1054 HA GLU 131 HA GLU 131 10.223 -9.924 7.451 1055 HB2 GLU 131 HB2 GLU 131 11.634 -11.932 7.447 1056 HB3 GLU 131 HB3 GLU 131 10.126 -12.193 6.587 1057 HG2 GLU 131 HG2 GLU 131 11.275 -11.973 4.458 1058 HG3 GLU 131 HG3 GLU 131 12.791 -11.640 5.296 1059 H ALA 132 H ALA 132 11.932 -8.836 4.732 1060 HA ALA 132 HA ALA 132 14.312 -8.202 6.311 1061 HB1 ALA 132 HB1 ALA 132 15.375 -7.669 4.176 1062 HB2 ALA 132 HB2 ALA 132 13.859 -7.988 3.333 1063 HB3 ALA 132 HB3 ALA 132 14.703 -9.299 4.155 1064 HA PRO 133 HA PRO 133 12.889 -3.905 6.412 1065 HB2 PRO 133 HB2 PRO 133 15.088 -2.904 7.649 1066 HB3 PRO 133 HB3 PRO 133 13.795 -3.739 8.516 1067 HG2 PRO 133 HG2 PRO 133 16.451 -4.779 7.613 1068 HG3 PRO 133 HG3 PRO 133 15.603 -5.049 9.147 1069 HD2 PRO 133 HD2 PRO 133 15.621 -6.864 7.137 1070 HD3 PRO 133 HD3 PRO 133 14.265 -6.689 8.266 1071 H ALA 134 H ALA 134 14.683 -1.818 6.177 1072 HA ALA 134 HA ALA 134 15.232 -2.034 3.308 1073 HB1 ALA 134 HB1 ALA 134 13.626 -0.366 4.076 1074 HB2 ALA 134 HB2 ALA 134 15.026 0.389 3.315 1075 HB3 ALA 134 HB3 ALA 134 14.874 0.381 5.075 1076 H LEU 135 H LEU 135 17.184 -3.044 5.237 1077 HA LEU 135 HA LEU 135 19.350 -2.967 5.899 1078 HB2 LEU 135 HB2 LEU 135 19.532 -1.293 3.395 1079 HB3 LEU 135 HB3 LEU 135 20.941 -1.587 4.387 1080 HG LEU 135 HG LEU 135 20.443 -4.099 4.009 1081 HD11 LEU 135 HD11 LEU 135 19.294 -4.632 1.926 1082 HD12 LEU 135 HD12 LEU 135 18.853 -2.936 1.726 1083 HD13 LEU 135 HD13 LEU 135 18.199 -3.865 3.077 1084 HD21 LEU 135 HD21 LEU 135 21.343 -2.347 1.731 1085 HD22 LEU 135 HD22 LEU 135 21.675 -4.071 1.901 1086 HD23 LEU 135 HD23 LEU 135 22.346 -2.923 3.063 1087 H GLU 136 H GLU 136 21.013 -0.415 5.367 1088 HA GLU 136 HA GLU 136 21.593 1.546 6.301 1089 HB2 GLU 136 HB2 GLU 136 18.612 1.969 6.507 1090 HB3 GLU 136 HB3 GLU 136 19.833 3.226 6.601 1091 HG2 GLU 136 HG2 GLU 136 19.268 1.497 4.191 1092 HG3 GLU 136 HG3 GLU 136 18.748 3.165 4.405 1093 H HIS 137 H HIS 137 21.838 -0.459 8.026 1094 HA HIS 137 HA HIS 137 22.243 -1.029 10.157 1095 HB2 HIS 137 HB2 HIS 137 21.335 1.771 10.872 1096 HB3 HIS 137 HB3 HIS 137 21.973 0.614 12.030 1097 HD1 HIS 137 HD1 HIS 137 22.991 2.970 9.341 1098 HD2 HIS 137 HD2 HIS 137 24.753 0.161 11.852 1099 HE1 HIS 137 HE1 HIS 137 25.467 3.381 9.183 1100 HE2 HIS 137 HE2 HIS 137 26.517 1.547 10.551 1101 H HIS 138 H HIS 138 21.194 -2.428 11.315 1102 HA HIS 138 HA HIS 138 18.322 -2.548 11.148 1103 HB2 HIS 138 HB2 HIS 138 20.306 -4.358 12.526 1104 HB3 HIS 138 HB3 HIS 138 18.574 -4.660 12.473 1105 HD1 HIS 138 HD1 HIS 138 21.255 -6.105 11.038 1106 HD2 HIS 138 HD2 HIS 138 17.970 -4.204 9.337 1107 HE1 HIS 138 HE1 HIS 138 21.091 -7.014 8.701 1108 HE2 HIS 138 HE2 HIS 138 18.990 -5.986 7.752 1109 H HIS 139 H HIS 139 20.551 -1.331 13.426 1110 HA HIS 139 HA HIS 139 18.268 -0.671 15.120 1111 HB2 HIS 139 HB2 HIS 139 19.738 -0.529 17.098 1112 HB3 HIS 139 HB3 HIS 139 19.678 -2.144 16.440 1113 HD1 HIS 139 HD1 HIS 139 21.937 -0.193 18.100 1114 HD2 HIS 139 HD2 HIS 139 22.218 -2.231 14.487 1115 HE1 HIS 139 HE1 HIS 139 24.393 -0.569 17.730 1116 HE2 HIS 139 HE2 HIS 139 24.528 -1.953 15.635 1117 H HIS 140 H HIS 140 17.756 1.115 14.066 1118 HA HIS 140 HA HIS 140 19.556 3.402 14.375 1119 HB2 HIS 140 HB2 HIS 140 19.852 2.509 12.059 1120 HB3 HIS 140 HB3 HIS 140 18.131 2.736 11.778 1121 HD1 HIS 140 HD1 HIS 140 21.360 4.615 12.044 1122 HD2 HIS 140 HD2 HIS 140 17.343 5.397 11.290 1123 HE1 HIS 140 HE1 HIS 140 21.277 6.982 11.191 1124 HE2 HIS 140 HE2 HIS 140 18.855 7.404 10.646 1125 H HIS 141 H HIS 141 18.248 4.136 16.010 1126 HA HIS 141 HA HIS 141 16.777 5.592 16.913 1127 HB2 HIS 141 HB2 HIS 141 17.073 6.819 14.750 1128 HB3 HIS 141 HB3 HIS 141 15.656 5.994 14.128 1129 HD1 HIS 141 HD1 HIS 141 13.494 7.155 14.459 1130 HD2 HIS 141 HD2 HIS 141 16.443 8.550 17.038 1131 HE1 HIS 141 HE1 HIS 141 12.466 9.111 15.671 1132 HE2 HIS 141 HE2 HIS 141 14.297 9.992 17.172 1133 H HIS 142 H HIS 142 15.086 5.122 18.196 1134 HA HIS 142 HA HIS 142 13.492 2.822 17.660 1135 HB2 HIS 142 HB2 HIS 142 12.473 3.124 19.792 1136 HB3 HIS 142 HB3 HIS 142 14.159 3.559 19.970 1137 HD1 HIS 142 HD1 HIS 142 10.732 4.846 20.367 1138 HD2 HIS 142 HD2 HIS 142 14.603 6.366 20.429 1139 HE1 HIS 142 HE1 HIS 142 10.546 7.120 21.414 1140 HE2 HIS 142 HE2 HIS 142 12.878 8.069 21.369 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.461 -6.935 11.842 2 H2 MET 1 H2 MET 1 -0.012 -7.070 11.025 3 H3 MET 1 H3 MET 1 0.914 -5.662 10.868 4 HA MET 1 HA MET 1 2.645 -6.861 9.746 5 HB2 MET 1 HB2 MET 1 0.825 -9.251 9.528 6 HB3 MET 1 HB3 MET 1 2.546 -9.147 9.208 7 HG2 MET 1 HG2 MET 1 2.421 -10.409 11.150 8 HG3 MET 1 HG3 MET 1 2.797 -8.791 11.732 9 HE1 MET 1 HE1 MET 1 -0.702 -9.836 10.372 10 HE2 MET 1 HE2 MET 1 -1.524 -10.424 11.820 11 HE3 MET 1 HE3 MET 1 -0.195 -11.351 11.124 12 H LEU 2 H LEU 2 -0.237 -8.547 8.643 13 HA LEU 2 HA LEU 2 -0.600 -6.489 6.592 14 HB2 LEU 2 HB2 LEU 2 -1.794 -8.197 5.262 15 HB3 LEU 2 HB3 LEU 2 -0.129 -8.614 5.575 16 HG LEU 2 HG LEU 2 -2.196 -9.792 7.371 17 HD11 LEU 2 HD11 LEU 2 -3.188 -10.040 5.154 18 HD12 LEU 2 HD12 LEU 2 -2.624 -11.591 5.775 19 HD13 LEU 2 HD13 LEU 2 -1.684 -10.738 4.552 20 HD21 LEU 2 HD21 LEU 2 -0.685 -11.714 7.279 21 HD22 LEU 2 HD22 LEU 2 0.191 -10.249 7.725 22 HD23 LEU 2 HD23 LEU 2 0.312 -10.882 6.084 23 H LYS 3 H LYS 3 -1.565 -5.357 8.470 24 HA LYS 3 HA LYS 3 -4.381 -5.284 8.376 25 HB2 LYS 3 HB2 LYS 3 -4.194 -7.349 9.763 26 HB3 LYS 3 HB3 LYS 3 -3.262 -6.443 10.952 27 HG2 LYS 3 HG2 LYS 3 -5.178 -4.981 11.337 28 HG3 LYS 3 HG3 LYS 3 -6.107 -5.890 10.146 29 HD2 LYS 3 HD2 LYS 3 -5.862 -7.906 11.529 30 HD3 LYS 3 HD3 LYS 3 -4.988 -6.954 12.733 31 HE2 LYS 3 HE2 LYS 3 -7.338 -7.206 13.351 32 HE3 LYS 3 HE3 LYS 3 -6.937 -5.520 13.029 33 HZ1 LYS 3 HZ1 LYS 3 -8.386 -7.386 11.229 34 HZ2 LYS 3 HZ2 LYS 3 -7.866 -5.842 10.763 35 HZ3 LYS 3 HZ3 LYS 3 -9.014 -6.013 11.999 36 H THR 4 H THR 4 -1.421 -4.600 10.048 37 HA THR 4 HA THR 4 -2.457 -2.768 11.948 38 HB THR 4 HB THR 4 0.049 -2.291 12.294 39 HG1 THR 4 HG1 THR 4 1.447 -3.358 11.051 40 HG21 THR 4 HG21 THR 4 0.361 -4.416 13.454 41 HG22 THR 4 HG22 THR 4 -0.967 -5.125 12.536 42 HG23 THR 4 HG23 THR 4 -1.284 -3.823 13.683 43 H ILE 5 H ILE 5 -0.899 -2.400 8.826 44 HA ILE 5 HA ILE 5 -0.721 0.458 9.109 45 HB ILE 5 HB ILE 5 -0.084 -1.373 6.799 46 HG12 ILE 5 HG12 ILE 5 1.456 -1.585 8.670 47 HG13 ILE 5 HG13 ILE 5 2.275 -0.791 7.330 48 HG21 ILE 5 HG21 ILE 5 0.336 1.606 6.955 49 HG22 ILE 5 HG22 ILE 5 -0.748 0.747 5.857 50 HG23 ILE 5 HG23 ILE 5 0.997 0.545 5.708 51 HD11 ILE 5 HD11 ILE 5 1.949 1.376 8.434 52 HD12 ILE 5 HD12 ILE 5 2.857 0.242 9.438 53 HD13 ILE 5 HD13 ILE 5 1.156 0.557 9.782 54 H LEU 6 H LEU 6 -2.356 1.664 8.926 55 HA LEU 6 HA LEU 6 -4.665 1.009 7.248 56 HB2 LEU 6 HB2 LEU 6 -5.088 1.540 9.609 57 HB3 LEU 6 HB3 LEU 6 -4.237 3.059 9.431 58 HG LEU 6 HG LEU 6 -6.043 3.632 7.679 59 HD11 LEU 6 HD11 LEU 6 -6.972 1.410 7.448 60 HD12 LEU 6 HD12 LEU 6 -8.191 2.532 8.056 61 HD13 LEU 6 HD13 LEU 6 -7.409 1.396 9.156 62 HD21 LEU 6 HD21 LEU 6 -7.535 4.463 9.424 63 HD22 LEU 6 HD22 LEU 6 -5.842 4.727 9.842 64 HD23 LEU 6 HD23 LEU 6 -6.744 3.415 10.601 65 H SER 7 H SER 7 -5.135 2.213 5.510 66 HA SER 7 HA SER 7 -3.226 4.209 4.627 67 HB2 SER 7 HB2 SER 7 -5.635 3.037 3.209 68 HB3 SER 7 HB3 SER 7 -4.359 4.008 2.473 69 HG SER 7 HG SER 7 -2.895 2.311 3.163 70 H ILE 8 H ILE 8 -3.546 6.285 4.748 71 HA ILE 8 HA ILE 8 -6.264 7.343 5.147 72 HB ILE 8 HB ILE 8 -3.636 8.329 6.300 73 HG12 ILE 8 HG12 ILE 8 -4.655 6.471 7.539 74 HG13 ILE 8 HG13 ILE 8 -4.677 7.955 8.484 75 HG21 ILE 8 HG21 ILE 8 -4.944 10.268 5.606 76 HG22 ILE 8 HG22 ILE 8 -4.855 10.159 7.363 77 HG23 ILE 8 HG23 ILE 8 -6.330 9.676 6.525 78 HD11 ILE 8 HD11 ILE 8 -7.051 8.251 7.947 79 HD12 ILE 8 HD12 ILE 8 -6.746 6.708 8.747 80 HD13 ILE 8 HD13 ILE 8 -7.019 6.759 7.005 81 H ALA 9 H ALA 9 -6.932 8.610 3.544 82 HA ALA 9 HA ALA 9 -4.950 9.455 1.547 83 HB1 ALA 9 HB1 ALA 9 -7.932 9.157 1.252 84 HB2 ALA 9 HB2 ALA 9 -6.716 7.994 0.721 85 HB3 ALA 9 HB3 ALA 9 -6.802 9.588 -0.030 86 H GLY 10 H GLY 10 -5.850 10.819 4.142 87 HA2 GLY 10 HA2 GLY 10 -6.836 13.372 3.174 88 HA3 GLY 10 HA3 GLY 10 -6.414 12.977 4.835 89 H LYS 11 H LYS 11 -4.690 14.024 5.578 90 HA LYS 11 HA LYS 11 -2.706 14.961 3.654 91 HB2 LYS 11 HB2 LYS 11 -3.623 16.671 5.154 92 HB3 LYS 11 HB3 LYS 11 -3.031 15.780 6.549 93 HG2 LYS 11 HG2 LYS 11 -0.712 16.060 5.634 94 HG3 LYS 11 HG3 LYS 11 -1.396 17.144 4.422 95 HD2 LYS 11 HD2 LYS 11 -2.151 18.661 6.118 96 HD3 LYS 11 HD3 LYS 11 -1.682 17.537 7.397 97 HE2 LYS 11 HE2 LYS 11 0.671 17.745 6.653 98 HE3 LYS 11 HE3 LYS 11 0.160 18.942 5.465 99 HZ1 LYS 11 HZ1 LYS 11 1.000 20.044 7.400 100 HZ2 LYS 11 HZ2 LYS 11 -0.042 19.180 8.415 101 HZ3 LYS 11 HZ3 LYS 11 -0.671 20.307 7.317 102 HA PRO 12 HA PRO 12 0.194 12.424 6.399 103 HB2 PRO 12 HB2 PRO 12 -1.007 11.150 8.648 104 HB3 PRO 12 HB3 PRO 12 0.113 12.511 8.648 105 HG2 PRO 12 HG2 PRO 12 -2.522 12.652 9.446 106 HG3 PRO 12 HG3 PRO 12 -1.553 14.035 8.909 107 HD2 PRO 12 HD2 PRO 12 -3.538 12.399 7.371 108 HD3 PRO 12 HD3 PRO 12 -3.296 14.164 7.381 109 H GLY 13 H GLY 13 0.496 10.910 4.975 110 HA2 GLY 13 HA2 GLY 13 -1.139 9.280 3.652 111 HA3 GLY 13 HA3 GLY 13 0.546 8.911 3.894 112 H LEU 14 H LEU 14 0.698 7.913 6.460 113 HA LEU 14 HA LEU 14 -1.339 5.813 6.475 114 HB2 LEU 14 HB2 LEU 14 1.635 5.322 6.436 115 HB3 LEU 14 HB3 LEU 14 0.445 4.099 6.840 116 HG LEU 14 HG LEU 14 0.440 5.540 4.183 117 HD11 LEU 14 HD11 LEU 14 2.554 4.372 4.463 118 HD12 LEU 14 HD12 LEU 14 1.530 3.601 3.251 119 HD13 LEU 14 HD13 LEU 14 1.679 2.894 4.861 120 HD21 LEU 14 HD21 LEU 14 -1.651 4.444 4.826 121 HD22 LEU 14 HD22 LEU 14 -0.775 2.930 5.068 122 HD23 LEU 14 HD23 LEU 14 -0.881 3.640 3.457 123 H TYR 15 H TYR 15 -1.717 4.785 8.344 124 HA TYR 15 HA TYR 15 -0.351 5.658 10.778 125 HB2 TYR 15 HB2 TYR 15 -3.260 5.997 10.145 126 HB3 TYR 15 HB3 TYR 15 -2.775 5.653 11.803 127 HD1 TYR 15 HD1 TYR 15 -0.848 7.173 12.731 128 HD2 TYR 15 HD2 TYR 15 -3.362 8.209 9.467 129 HE1 TYR 15 HE1 TYR 15 -0.328 9.541 13.098 130 HE2 TYR 15 HE2 TYR 15 -2.843 10.588 9.814 131 HH TYR 15 HH TYR 15 -0.300 11.656 11.703 132 H LYS 16 H LYS 16 -1.040 4.263 12.672 133 HA LYS 16 HA LYS 16 -1.426 1.501 11.750 134 HB2 LYS 16 HB2 LYS 16 -0.072 2.645 14.188 135 HB3 LYS 16 HB3 LYS 16 -0.449 0.935 14.030 136 HG2 LYS 16 HG2 LYS 16 1.102 0.609 12.355 137 HG3 LYS 16 HG3 LYS 16 1.119 2.310 11.890 138 HD2 LYS 16 HD2 LYS 16 3.188 1.842 12.990 139 HD3 LYS 16 HD3 LYS 16 2.212 2.805 14.098 140 HE2 LYS 16 HE2 LYS 16 1.537 0.706 15.241 141 HE3 LYS 16 HE3 LYS 16 2.634 -0.178 14.182 142 HZ1 LYS 16 HZ1 LYS 16 3.393 1.930 16.132 143 HZ2 LYS 16 HZ2 LYS 16 4.462 1.179 15.059 144 HZ3 LYS 16 HZ3 LYS 16 3.703 0.269 16.272 145 H LEU 17 H LEU 17 -3.479 0.900 11.917 146 HA LEU 17 HA LEU 17 -5.286 2.092 13.829 147 HB2 LEU 17 HB2 LEU 17 -5.557 0.788 11.379 148 HB3 LEU 17 HB3 LEU 17 -6.253 -0.326 12.537 149 HG LEU 17 HG LEU 17 -7.154 2.455 11.835 150 HD11 LEU 17 HD11 LEU 17 -8.523 -0.220 11.953 151 HD12 LEU 17 HD12 LEU 17 -8.040 0.662 10.504 152 HD13 LEU 17 HD13 LEU 17 -9.306 1.307 11.550 153 HD21 LEU 17 HD21 LEU 17 -8.771 2.376 13.657 154 HD22 LEU 17 HD22 LEU 17 -7.120 2.369 14.279 155 HD23 LEU 17 HD23 LEU 17 -8.056 0.875 14.243 156 H ILE 18 H ILE 18 -5.265 1.468 15.902 157 HA ILE 18 HA ILE 18 -4.866 -1.389 16.449 158 HB ILE 18 HB ILE 18 -3.996 -0.956 18.620 159 HG12 ILE 18 HG12 ILE 18 -5.407 1.086 19.142 160 HG13 ILE 18 HG13 ILE 18 -3.753 1.127 19.724 161 HG21 ILE 18 HG21 ILE 18 -2.378 -0.888 16.865 162 HG22 ILE 18 HG22 ILE 18 -1.929 0.269 18.119 163 HG23 ILE 18 HG23 ILE 18 -2.658 0.836 16.617 164 HD11 ILE 18 HD11 ILE 18 -3.153 2.623 17.896 165 HD12 ILE 18 HD12 ILE 18 -4.461 3.280 18.880 166 HD13 ILE 18 HD13 ILE 18 -4.815 2.569 17.305 167 H SER 19 H SER 19 -7.035 1.290 16.830 168 HA SER 19 HA SER 19 -9.031 -0.462 18.017 169 HB2 SER 19 HB2 SER 19 -8.129 2.115 19.338 170 HB3 SER 19 HB3 SER 19 -9.590 1.234 19.782 171 HG SER 19 HG SER 19 -7.513 -0.453 19.772 172 H GLN 20 H GLN 20 -10.952 -0.106 17.036 173 HA GLN 20 HA GLN 20 -11.432 2.577 15.923 174 HB2 GLN 20 HB2 GLN 20 -12.550 -0.091 15.082 175 HB3 GLN 20 HB3 GLN 20 -13.314 1.426 14.631 176 HG2 GLN 20 HG2 GLN 20 -11.121 2.111 13.630 177 HG3 GLN 20 HG3 GLN 20 -10.577 0.455 13.888 178 HE21 GLN 20 HE21 GLN 20 -12.703 2.535 12.093 179 HE22 GLN 20 HE22 GLN 20 -13.121 1.389 10.868 180 H GLY 21 H GLY 21 -13.476 3.527 16.196 181 HA2 GLY 21 HA2 GLY 21 -15.066 2.427 18.424 182 HA3 GLY 21 HA3 GLY 21 -14.589 4.118 18.395 183 H LYS 22 H LYS 22 -16.335 5.260 18.043 184 HA LYS 22 HA LYS 22 -18.394 4.352 16.224 185 HB2 LYS 22 HB2 LYS 22 -19.557 6.502 16.981 186 HB3 LYS 22 HB3 LYS 22 -19.308 5.255 18.190 187 HG2 LYS 22 HG2 LYS 22 -17.471 6.479 19.149 188 HG3 LYS 22 HG3 LYS 22 -17.540 7.677 17.853 189 HD2 LYS 22 HD2 LYS 22 -19.858 8.236 18.591 190 HD3 LYS 22 HD3 LYS 22 -19.634 7.147 19.961 191 HE2 LYS 22 HE2 LYS 22 -17.756 8.488 20.735 192 HE3 LYS 22 HE3 LYS 22 -17.937 9.559 19.347 193 HZ1 LYS 22 HZ1 LYS 22 -18.946 10.459 21.372 194 HZ2 LYS 22 HZ2 LYS 22 -20.007 9.137 21.436 195 HZ3 LYS 22 HZ3 LYS 22 -20.087 10.227 20.141 196 H ASN 23 H ASN 23 -18.537 7.624 16.016 197 HA ASN 23 HA ASN 23 -17.925 8.101 13.389 198 HB2 ASN 23 HB2 ASN 23 -17.768 9.885 15.816 199 HB3 ASN 23 HB3 ASN 23 -17.464 10.509 14.204 200 HD21 ASN 23 HD21 ASN 23 -19.213 11.889 14.231 201 HD22 ASN 23 HD22 ASN 23 -20.851 11.339 14.185 202 H MET 24 H MET 24 -15.751 8.210 16.142 203 HA MET 24 HA MET 24 -13.482 8.730 14.360 204 HB2 MET 24 HB2 MET 24 -12.297 9.508 16.348 205 HB3 MET 24 HB3 MET 24 -13.810 10.382 16.153 206 HG2 MET 24 HG2 MET 24 -14.832 8.905 17.827 207 HG3 MET 24 HG3 MET 24 -13.281 8.118 18.062 208 HE1 MET 24 HE1 MET 24 -11.109 10.954 19.573 209 HE2 MET 24 HE2 MET 24 -11.273 10.550 17.866 210 HE3 MET 24 HE3 MET 24 -11.191 9.261 19.070 211 H LEU 25 H LEU 25 -11.472 7.706 14.972 212 HA LEU 25 HA LEU 25 -11.636 5.390 16.679 213 HB2 LEU 25 HB2 LEU 25 -10.294 3.983 15.134 214 HB3 LEU 25 HB3 LEU 25 -11.943 4.241 14.651 215 HG LEU 25 HG LEU 25 -10.438 4.092 12.747 216 HD11 LEU 25 HD11 LEU 25 -11.542 6.854 13.025 217 HD12 LEU 25 HD12 LEU 25 -12.394 5.425 12.438 218 HD13 LEU 25 HD13 LEU 25 -11.040 6.084 11.518 219 HD21 LEU 25 HD21 LEU 25 -8.403 4.940 13.720 220 HD22 LEU 25 HD22 LEU 25 -9.090 6.567 13.762 221 HD23 LEU 25 HD23 LEU 25 -8.794 5.772 12.214 222 H ILE 26 H ILE 26 -9.210 4.472 16.703 223 HA ILE 26 HA ILE 26 -7.524 6.805 17.352 224 HB ILE 26 HB ILE 26 -7.847 4.240 18.914 225 HG12 ILE 26 HG12 ILE 26 -9.626 5.859 19.347 226 HG13 ILE 26 HG13 ILE 26 -8.603 5.678 20.763 227 HG21 ILE 26 HG21 ILE 26 -6.208 5.128 20.526 228 HG22 ILE 26 HG22 ILE 26 -5.910 6.493 19.451 229 HG23 ILE 26 HG23 ILE 26 -5.494 4.859 18.934 230 HD11 ILE 26 HD11 ILE 26 -7.489 7.797 20.211 231 HD12 ILE 26 HD12 ILE 26 -9.228 7.998 20.429 232 HD13 ILE 26 HD13 ILE 26 -8.541 7.973 18.805 233 H VAL 27 H VAL 27 -5.678 6.827 16.268 234 HA VAL 27 HA VAL 27 -4.514 4.271 15.382 235 HB VAL 27 HB VAL 27 -3.484 5.628 13.467 236 HG11 VAL 27 HG11 VAL 27 -5.434 5.273 12.040 237 HG12 VAL 27 HG12 VAL 27 -6.443 5.084 13.474 238 HG13 VAL 27 HG13 VAL 27 -5.166 3.916 13.135 239 HG21 VAL 27 HG21 VAL 27 -4.079 7.862 14.267 240 HG22 VAL 27 HG22 VAL 27 -5.792 7.463 14.117 241 HG23 VAL 27 HG23 VAL 27 -4.777 7.547 12.677 242 H GLU 28 H GLU 28 -2.172 4.294 15.104 243 HA GLU 28 HA GLU 28 -0.830 6.313 16.767 244 HB2 GLU 28 HB2 GLU 28 -0.191 3.399 16.264 245 HB3 GLU 28 HB3 GLU 28 0.918 4.508 17.062 246 HG2 GLU 28 HG2 GLU 28 -0.693 4.867 18.838 247 HG3 GLU 28 HG3 GLU 28 -1.849 3.820 18.019 248 H THR 29 H THR 29 0.924 7.340 15.956 249 HA THR 29 HA THR 29 1.190 7.519 13.159 250 HB THR 29 HB THR 29 3.256 8.516 15.111 251 HG1 THR 29 HG1 THR 29 1.479 10.413 14.679 252 HG21 THR 29 HG21 THR 29 3.406 10.374 13.533 253 HG22 THR 29 HG22 THR 29 2.154 9.634 12.534 254 HG23 THR 29 HG23 THR 29 3.715 8.836 12.730 255 H VAL 30 H VAL 30 2.202 6.207 11.814 256 HA VAL 30 HA VAL 30 3.956 4.153 12.379 257 HB VAL 30 HB VAL 30 3.755 5.730 9.798 258 HG11 VAL 30 HG11 VAL 30 4.498 3.681 8.696 259 HG12 VAL 30 HG12 VAL 30 4.701 2.908 10.268 260 HG13 VAL 30 HG13 VAL 30 5.714 4.282 9.823 261 HG21 VAL 30 HG21 VAL 30 1.577 4.937 10.493 262 HG22 VAL 30 HG22 VAL 30 2.216 3.311 10.730 263 HG23 VAL 30 HG23 VAL 30 2.144 4.003 9.109 264 H ASP 31 H ASP 31 4.712 7.533 11.610 265 HA ASP 31 HA ASP 31 7.530 6.931 11.367 266 HB2 ASP 31 HB2 ASP 31 7.816 9.345 10.875 267 HB3 ASP 31 HB3 ASP 31 6.681 8.542 9.802 268 H ALA 32 H ALA 32 8.652 9.268 12.504 269 HA ALA 32 HA ALA 32 9.322 8.019 14.938 270 HB1 ALA 32 HB1 ALA 32 10.938 9.783 15.207 271 HB2 ALA 32 HB2 ALA 32 10.121 10.749 13.978 272 HB3 ALA 32 HB3 ALA 32 10.903 9.232 13.533 273 H ALA 33 H ALA 33 6.893 10.432 14.392 274 HA ALA 33 HA ALA 33 6.759 11.582 16.942 275 HB1 ALA 33 HB1 ALA 33 4.451 12.124 16.386 276 HB2 ALA 33 HB2 ALA 33 4.488 10.960 15.060 277 HB3 ALA 33 HB3 ALA 33 5.506 12.398 14.996 278 H LYS 34 H LYS 34 5.331 8.632 15.630 279 HA LYS 34 HA LYS 34 3.945 7.015 16.477 280 HB2 LYS 34 HB2 LYS 34 6.262 7.076 18.393 281 HB3 LYS 34 HB3 LYS 34 5.044 5.810 18.411 282 HG2 LYS 34 HG2 LYS 34 5.607 5.245 16.104 283 HG3 LYS 34 HG3 LYS 34 6.832 6.514 16.104 284 HD2 LYS 34 HD2 LYS 34 8.003 5.356 17.932 285 HD3 LYS 34 HD3 LYS 34 6.792 4.072 17.872 286 HE2 LYS 34 HE2 LYS 34 7.405 3.675 15.502 287 HE3 LYS 34 HE3 LYS 34 8.695 4.866 15.675 288 HZ1 LYS 34 HZ1 LYS 34 8.436 2.363 17.248 289 HZ2 LYS 34 HZ2 LYS 34 9.679 3.503 17.402 290 HZ3 LYS 34 HZ3 LYS 34 9.518 2.612 15.971 291 H LYS 35 H LYS 35 2.612 9.200 17.118 292 HA LYS 35 HA LYS 35 1.950 8.987 19.966 293 HB2 LYS 35 HB2 LYS 35 0.971 11.198 19.787 294 HB3 LYS 35 HB3 LYS 35 2.597 11.230 19.119 295 HG2 LYS 35 HG2 LYS 35 1.765 11.275 16.885 296 HG3 LYS 35 HG3 LYS 35 0.113 11.012 17.440 297 HD2 LYS 35 HD2 LYS 35 1.790 13.427 18.110 298 HD3 LYS 35 HD3 LYS 35 0.580 13.369 16.829 299 HE2 LYS 35 HE2 LYS 35 -1.141 12.832 18.512 300 HE3 LYS 35 HE3 LYS 35 0.076 12.963 19.778 301 HZ1 LYS 35 HZ1 LYS 35 -0.963 15.121 18.033 302 HZ2 LYS 35 HZ2 LYS 35 0.425 15.300 18.988 303 HZ3 LYS 35 HZ3 LYS 35 -1.072 14.999 19.718 304 H ARG 36 H ARG 36 -0.368 9.093 20.547 305 HA ARG 36 HA ARG 36 -1.957 7.583 18.638 306 HB2 ARG 36 HB2 ARG 36 -2.365 8.206 21.553 307 HB3 ARG 36 HB3 ARG 36 -3.628 7.481 20.560 308 HG2 ARG 36 HG2 ARG 36 -2.030 5.662 19.983 309 HG3 ARG 36 HG3 ARG 36 -0.901 6.360 21.142 310 HD2 ARG 36 HD2 ARG 36 -2.440 5.973 22.946 311 HD3 ARG 36 HD3 ARG 36 -3.679 5.421 21.818 312 HE ARG 36 HE ARG 36 -1.829 3.664 21.259 313 HH11 ARG 36 HH11 ARG 36 -2.620 4.900 24.463 314 HH12 ARG 36 HH12 ARG 36 -2.176 3.428 25.265 315 HH21 ARG 36 HH21 ARG 36 -1.247 1.771 22.299 316 HH22 ARG 36 HH22 ARG 36 -1.393 1.633 24.026 317 H VAL 37 H VAL 37 -2.923 8.627 17.197 318 HA VAL 37 HA VAL 37 -3.825 11.380 17.618 319 HB VAL 37 HB VAL 37 -3.715 9.947 14.960 320 HG11 VAL 37 HG11 VAL 37 -4.896 12.089 15.055 321 HG12 VAL 37 HG12 VAL 37 -3.456 12.170 14.039 322 HG13 VAL 37 HG13 VAL 37 -3.428 12.860 15.663 323 HG21 VAL 37 HG21 VAL 37 -1.492 9.709 15.951 324 HG22 VAL 37 HG22 VAL 37 -1.421 11.452 16.211 325 HG23 VAL 37 HG23 VAL 37 -1.475 10.807 14.570 326 HA PRO 38 HA PRO 38 -8.110 9.833 17.324 327 HB2 PRO 38 HB2 PRO 38 -8.689 12.727 17.283 328 HB3 PRO 38 HB3 PRO 38 -9.294 11.478 18.376 329 HG2 PRO 38 HG2 PRO 38 -7.535 13.304 19.214 330 HG3 PRO 38 HG3 PRO 38 -7.454 11.622 19.773 331 HD2 PRO 38 HD2 PRO 38 -5.824 12.989 17.657 332 HD3 PRO 38 HD3 PRO 38 -5.292 11.890 18.950 333 H ALA 39 H ALA 39 -8.798 9.221 15.377 334 HA ALA 39 HA ALA 39 -8.561 11.122 13.134 335 HB1 ALA 39 HB1 ALA 39 -6.893 9.344 12.877 336 HB2 ALA 39 HB2 ALA 39 -8.132 9.251 11.624 337 HB3 ALA 39 HB3 ALA 39 -8.170 8.130 12.986 338 H TYR 40 H TYR 40 -10.244 10.859 11.502 339 HA TYR 40 HA TYR 40 -12.675 9.786 12.773 340 HB2 TYR 40 HB2 TYR 40 -12.597 12.356 11.166 341 HB3 TYR 40 HB3 TYR 40 -13.909 11.755 12.170 342 HD1 TYR 40 HD1 TYR 40 -13.464 11.604 14.712 343 HD2 TYR 40 HD2 TYR 40 -11.041 13.858 12.042 344 HE1 TYR 40 HE1 TYR 40 -12.579 12.891 16.612 345 HE2 TYR 40 HE2 TYR 40 -10.152 15.152 13.931 346 HH TYR 40 HH TYR 40 -10.835 15.773 16.225 347 H ALA 41 H ALA 41 -14.522 9.553 11.195 348 HA ALA 41 HA ALA 41 -13.665 8.435 8.683 349 HB1 ALA 41 HB1 ALA 41 -16.457 8.969 9.692 350 HB2 ALA 41 HB2 ALA 41 -15.553 7.471 9.908 351 HB3 ALA 41 HB3 ALA 41 -16.029 7.989 8.288 352 H HIS 42 H HIS 42 -12.673 10.074 7.677 353 HA HIS 42 HA HIS 42 -14.105 12.125 6.304 354 HB2 HIS 42 HB2 HIS 42 -14.063 13.206 8.500 355 HB3 HIS 42 HB3 HIS 42 -12.347 12.872 8.673 356 HD1 HIS 42 HD1 HIS 42 -14.728 15.124 6.777 357 HD2 HIS 42 HD2 HIS 42 -10.669 14.794 7.634 358 HE1 HIS 42 HE1 HIS 42 -13.676 17.251 5.927 359 HE2 HIS 42 HE2 HIS 42 -11.205 17.002 6.392 360 H ASP 43 H ASP 43 -11.169 10.652 7.446 361 HA ASP 43 HA ASP 43 -9.552 11.897 5.364 362 HB2 ASP 43 HB2 ASP 43 -8.888 10.397 7.887 363 HB3 ASP 43 HB3 ASP 43 -7.661 10.792 6.688 364 H LYS 44 H LYS 44 -11.494 9.597 5.016 365 HA LYS 44 HA LYS 44 -11.752 7.744 3.762 366 HB2 LYS 44 HB2 LYS 44 -9.867 9.309 2.434 367 HB3 LYS 44 HB3 LYS 44 -9.167 7.702 2.429 368 HG2 LYS 44 HG2 LYS 44 -11.944 8.325 1.462 369 HG3 LYS 44 HG3 LYS 44 -10.521 8.268 0.423 370 HD2 LYS 44 HD2 LYS 44 -10.165 5.915 1.171 371 HD3 LYS 44 HD3 LYS 44 -11.699 6.014 2.034 372 HE2 LYS 44 HE2 LYS 44 -11.381 6.469 -0.929 373 HE3 LYS 44 HE3 LYS 44 -11.861 4.936 -0.204 374 HZ1 LYS 44 HZ1 LYS 44 -13.344 7.497 0.051 375 HZ2 LYS 44 HZ2 LYS 44 -13.818 6.010 0.710 376 HZ3 LYS 44 HZ3 LYS 44 -13.765 6.214 -0.971 377 H VAL 45 H VAL 45 -11.651 6.573 5.742 378 HA VAL 45 HA VAL 45 -9.154 5.329 6.519 379 HB VAL 45 HB VAL 45 -11.942 5.005 7.674 380 HG11 VAL 45 HG11 VAL 45 -10.851 4.128 9.676 381 HG12 VAL 45 HG12 VAL 45 -9.283 4.233 8.874 382 HG13 VAL 45 HG13 VAL 45 -10.509 3.120 8.269 383 HG21 VAL 45 HG21 VAL 45 -11.169 7.302 7.852 384 HG22 VAL 45 HG22 VAL 45 -9.661 6.756 8.587 385 HG23 VAL 45 HG23 VAL 45 -11.190 6.534 9.440 386 H ILE 46 H ILE 46 -8.514 3.831 5.141 387 HA ILE 46 HA ILE 46 -10.155 1.411 4.739 388 HB ILE 46 HB ILE 46 -8.371 2.704 2.635 389 HG12 ILE 46 HG12 ILE 46 -10.553 3.865 2.844 390 HG13 ILE 46 HG13 ILE 46 -10.327 3.102 1.277 391 HG21 ILE 46 HG21 ILE 46 -8.233 0.298 2.510 392 HG22 ILE 46 HG22 ILE 46 -9.121 0.930 1.121 393 HG23 ILE 46 HG23 ILE 46 -9.995 0.172 2.453 394 HD11 ILE 46 HD11 ILE 46 -11.796 1.271 1.967 395 HD12 ILE 46 HD12 ILE 46 -12.603 2.836 2.071 396 HD13 ILE 46 HD13 ILE 46 -12.018 2.047 3.535 397 H SER 47 H SER 47 -8.890 -0.445 5.225 398 HA SER 47 HA SER 47 -6.248 0.028 6.261 399 HB2 SER 47 HB2 SER 47 -7.835 -1.660 7.230 400 HB3 SER 47 HB3 SER 47 -7.611 -2.632 5.777 401 HG SER 47 HG SER 47 -6.114 -2.607 7.950 402 H LEU 48 H LEU 48 -4.273 -0.648 5.398 403 HA LEU 48 HA LEU 48 -4.057 -0.905 2.552 404 HB2 LEU 48 HB2 LEU 48 -2.371 0.163 4.132 405 HB3 LEU 48 HB3 LEU 48 -1.910 -1.458 4.600 406 HG LEU 48 HG LEU 48 -1.811 -0.993 1.701 407 HD11 LEU 48 HD11 LEU 48 0.234 0.337 1.798 408 HD12 LEU 48 HD12 LEU 48 0.051 0.493 3.546 409 HD13 LEU 48 HD13 LEU 48 -1.143 1.216 2.466 410 HD21 LEU 48 HD21 LEU 48 -0.928 -3.007 2.757 411 HD22 LEU 48 HD22 LEU 48 0.181 -2.028 3.718 412 HD23 LEU 48 HD23 LEU 48 0.358 -2.096 1.965 413 H ALA 49 H ALA 49 -4.333 -3.064 5.223 414 HA ALA 49 HA ALA 49 -3.610 -5.522 4.093 415 HB1 ALA 49 HB1 ALA 49 -4.105 -5.224 6.450 416 HB2 ALA 49 HB2 ALA 49 -5.131 -6.479 5.754 417 HB3 ALA 49 HB3 ALA 49 -5.789 -4.872 6.065 418 H ASP 50 H ASP 50 -6.581 -3.648 4.030 419 HA ASP 50 HA ASP 50 -8.218 -5.612 2.783 420 HB2 ASP 50 HB2 ASP 50 -9.036 -3.797 4.300 421 HB3 ASP 50 HB3 ASP 50 -8.680 -2.631 3.034 422 H ILE 51 H ILE 51 -6.102 -3.081 1.632 423 HA ILE 51 HA ILE 51 -7.055 -2.950 -1.040 424 HB ILE 51 HB ILE 51 -4.162 -2.549 -0.267 425 HG12 ILE 51 HG12 ILE 51 -5.571 -1.167 1.240 426 HG13 ILE 51 HG13 ILE 51 -4.588 -0.198 0.152 427 HG21 ILE 51 HG21 ILE 51 -5.850 -1.388 -2.484 428 HG22 ILE 51 HG22 ILE 51 -4.606 -2.626 -2.648 429 HG23 ILE 51 HG23 ILE 51 -4.160 -0.989 -2.170 430 HD11 ILE 51 HD11 ILE 51 -6.819 0.725 0.413 431 HD12 ILE 51 HD12 ILE 51 -7.523 -0.781 -0.174 432 HD13 ILE 51 HD13 ILE 51 -6.537 0.209 -1.249 433 H ALA 52 H ALA 52 -7.104 -4.547 -2.388 434 HA ALA 52 HA ALA 52 -4.805 -6.359 -2.598 435 HB1 ALA 52 HB1 ALA 52 -6.620 -7.611 -1.508 436 HB2 ALA 52 HB2 ALA 52 -6.283 -8.239 -3.123 437 HB3 ALA 52 HB3 ALA 52 -7.695 -7.216 -2.850 438 H MET 53 H MET 53 -4.513 -7.214 -4.760 439 HA MET 53 HA MET 53 -5.966 -5.798 -6.836 440 HB2 MET 53 HB2 MET 53 -2.996 -5.582 -6.436 441 HB3 MET 53 HB3 MET 53 -3.673 -5.530 -8.058 442 HG2 MET 53 HG2 MET 53 -5.212 -3.687 -7.091 443 HG3 MET 53 HG3 MET 53 -4.008 -3.591 -5.809 444 HE1 MET 53 HE1 MET 53 -1.321 -4.246 -7.400 445 HE2 MET 53 HE2 MET 53 -1.444 -2.926 -6.235 446 HE3 MET 53 HE3 MET 53 -0.780 -2.627 -7.842 447 H TYR 54 H TYR 54 -5.351 -6.736 -9.011 448 HA TYR 54 HA TYR 54 -5.277 -9.639 -8.607 449 HB2 TYR 54 HB2 TYR 54 -6.685 -8.019 -10.740 450 HB3 TYR 54 HB3 TYR 54 -6.671 -9.775 -10.653 451 HD1 TYR 54 HD2 TYR 54 -7.979 -10.942 -8.984 452 HD2 TYR 54 HD1 TYR 54 -8.047 -6.699 -9.200 453 HE1 TYR 54 HE2 TYR 54 -9.960 -10.906 -7.540 454 HE2 TYR 54 HE1 TYR 54 -10.036 -6.649 -7.756 455 HH TYR 54 HH TYR 54 -11.123 -9.394 -6.032 456 H THR 55 H THR 55 -4.497 -10.900 -10.391 457 HA THR 55 HA THR 55 -2.984 -9.630 -12.484 458 HB THR 55 HB THR 55 -1.308 -9.705 -10.685 459 HG1 THR 55 HG1 THR 55 0.295 -10.598 -11.861 460 HG21 THR 55 HG21 THR 55 -2.194 -11.508 -9.333 461 HG22 THR 55 HG22 THR 55 -0.501 -11.807 -9.735 462 HG23 THR 55 HG23 THR 55 -1.778 -12.678 -10.587 463 H ASP 56 H ASP 56 -1.860 -11.853 -13.654 464 HA ASP 56 HA ASP 56 -4.094 -13.425 -14.491 465 HB2 ASP 56 HB2 ASP 56 -2.197 -12.910 -15.978 466 HB3 ASP 56 HB3 ASP 56 -1.129 -13.856 -14.947 467 H ALA 57 H ALA 57 -1.551 -13.824 -12.149 468 HA ALA 57 HA ALA 57 -2.354 -16.511 -11.412 469 HB1 ALA 57 HB1 ALA 57 -0.533 -16.344 -9.776 470 HB2 ALA 57 HB2 ALA 57 -0.313 -14.643 -10.190 471 HB3 ALA 57 HB3 ALA 57 0.014 -15.893 -11.390 472 H GLU 58 H GLU 58 -1.992 -16.285 -8.631 473 HA GLU 58 HA GLU 58 -4.534 -15.875 -7.659 474 HB2 GLU 58 HB2 GLU 58 -1.868 -15.998 -6.292 475 HB3 GLU 58 HB3 GLU 58 -3.365 -15.847 -5.384 476 HG2 GLU 58 HG2 GLU 58 -2.819 -18.050 -7.353 477 HG3 GLU 58 HG3 GLU 58 -2.489 -18.173 -5.625 478 H GLU 59 H GLU 59 -5.458 -14.483 -6.167 479 HA GLU 59 HA GLU 59 -5.097 -11.681 -6.648 480 HB2 GLU 59 HB2 GLU 59 -6.785 -13.040 -4.536 481 HB3 GLU 59 HB3 GLU 59 -6.965 -11.398 -5.123 482 HG2 GLU 59 HG2 GLU 59 -7.698 -12.196 -7.271 483 HG3 GLU 59 HG3 GLU 59 -7.386 -13.864 -6.786 484 H VAL 60 H VAL 60 -3.313 -10.728 -5.741 485 HA VAL 60 HA VAL 60 -2.645 -11.477 -2.983 486 HB VAL 60 HB VAL 60 -0.360 -10.466 -3.470 487 HG11 VAL 60 HG11 VAL 60 -0.686 -12.852 -3.295 488 HG12 VAL 60 HG12 VAL 60 0.437 -12.504 -4.609 489 HG13 VAL 60 HG13 VAL 60 -1.237 -12.932 -4.969 490 HG21 VAL 60 HG21 VAL 60 -1.303 -10.743 -6.327 491 HG22 VAL 60 HG22 VAL 60 0.353 -10.415 -5.809 492 HG23 VAL 60 HG23 VAL 60 -0.917 -9.232 -5.498 493 HA PRO 61 HA PRO 61 -3.711 -7.392 -1.533 494 HB2 PRO 61 HB2 PRO 61 -1.750 -7.845 0.603 495 HB3 PRO 61 HB3 PRO 61 -3.496 -7.624 0.714 496 HG2 PRO 61 HG2 PRO 61 -2.284 -9.997 1.160 497 HG3 PRO 61 HG3 PRO 61 -3.922 -9.865 0.496 498 HD2 PRO 61 HD2 PRO 61 -1.352 -10.479 -0.878 499 HD3 PRO 61 HD3 PRO 61 -2.980 -11.112 -1.187 500 H LEU 62 H LEU 62 -2.671 -5.360 -0.863 501 HA LEU 62 HA LEU 62 -0.628 -4.591 -2.652 502 HB2 LEU 62 HB2 LEU 62 -2.502 -3.202 -1.350 503 HB3 LEU 62 HB3 LEU 62 -1.145 -2.873 -0.292 504 HG LEU 62 HG LEU 62 0.138 -2.074 -2.298 505 HD11 LEU 62 HD11 LEU 62 -1.116 -1.518 -4.317 506 HD12 LEU 62 HD12 LEU 62 -2.564 -2.257 -3.632 507 HD13 LEU 62 HD13 LEU 62 -1.157 -3.254 -4.006 508 HD21 LEU 62 HD21 LEU 62 -0.858 -0.455 -0.839 509 HD22 LEU 62 HD22 LEU 62 -2.420 -0.645 -1.633 510 HD23 LEU 62 HD23 LEU 62 -1.065 0.065 -2.515 511 H SER 63 H SER 63 -0.480 -5.774 0.596 512 HA SER 63 HA SER 63 2.082 -4.810 1.283 513 HB2 SER 63 HB2 SER 63 1.973 -6.759 2.944 514 HB3 SER 63 HB3 SER 63 0.704 -5.538 3.049 515 HG SER 63 HG SER 63 0.465 -8.170 2.628 516 H GLU 64 H GLU 64 1.006 -7.724 -0.413 517 HA GLU 64 HA GLU 64 3.614 -8.903 -0.484 518 HB2 GLU 64 HB2 GLU 64 1.047 -9.563 -1.914 519 HB3 GLU 64 HB3 GLU 64 2.539 -10.468 -2.162 520 HG2 GLU 64 HG2 GLU 64 2.571 -10.840 0.326 521 HG3 GLU 64 HG3 GLU 64 0.936 -10.180 0.353 522 H VAL 65 H VAL 65 1.770 -6.811 -2.634 523 HA VAL 65 HA VAL 65 3.615 -7.212 -4.816 524 HB VAL 65 HB VAL 65 2.354 -5.629 -6.105 525 HG11 VAL 65 HG11 VAL 65 1.453 -7.870 -5.924 526 HG12 VAL 65 HG12 VAL 65 0.164 -6.680 -6.101 527 HG13 VAL 65 HG13 VAL 65 0.501 -7.386 -4.520 528 HG21 VAL 65 HG21 VAL 65 1.890 -3.914 -4.453 529 HG22 VAL 65 HG22 VAL 65 0.788 -5.001 -3.607 530 HG23 VAL 65 HG23 VAL 65 0.397 -4.440 -5.233 531 H LEU 66 H LEU 66 3.358 -5.057 -2.140 532 HA LEU 66 HA LEU 66 4.934 -2.906 -3.138 533 HB2 LEU 66 HB2 LEU 66 3.613 -3.592 -0.687 534 HB3 LEU 66 HB3 LEU 66 5.251 -3.079 -0.331 535 HG LEU 66 HG LEU 66 4.830 -0.957 -1.518 536 HD11 LEU 66 HD11 LEU 66 3.168 -1.719 -3.088 537 HD12 LEU 66 HD12 LEU 66 2.519 -0.393 -2.120 538 HD13 LEU 66 HD13 LEU 66 2.050 -2.059 -1.771 539 HD21 LEU 66 HD21 LEU 66 4.417 -1.140 0.898 540 HD22 LEU 66 HD22 LEU 66 2.738 -1.572 0.557 541 HD23 LEU 66 HD23 LEU 66 3.347 0.025 0.114 542 H GLU 67 H GLU 67 5.641 -5.892 -1.440 543 HA GLU 67 HA GLU 67 8.408 -5.373 -0.990 544 HB2 GLU 67 HB2 GLU 67 7.225 -6.976 0.357 545 HB3 GLU 67 HB3 GLU 67 6.834 -7.937 -1.056 546 HG2 GLU 67 HG2 GLU 67 8.656 -8.833 0.413 547 HG3 GLU 67 HG3 GLU 67 9.048 -8.680 -1.287 548 H ALA 68 H ALA 68 6.581 -7.013 -3.555 549 HA ALA 68 HA ALA 68 8.704 -8.322 -4.829 550 HB1 ALA 68 HB1 ALA 68 6.127 -7.338 -6.034 551 HB2 ALA 68 HB2 ALA 68 6.352 -8.869 -5.185 552 HB3 ALA 68 HB3 ALA 68 7.187 -8.576 -6.712 553 H VAL 69 H VAL 69 7.222 -5.186 -5.595 554 HA VAL 69 HA VAL 69 8.980 -4.630 -7.777 555 HB VAL 69 HB VAL 69 7.984 -2.313 -7.664 556 HG11 VAL 69 HG11 VAL 69 5.756 -3.019 -8.397 557 HG12 VAL 69 HG12 VAL 69 6.047 -4.625 -7.730 558 HG13 VAL 69 HG13 VAL 69 7.015 -4.044 -9.087 559 HG21 VAL 69 HG21 VAL 69 7.503 -2.263 -5.268 560 HG22 VAL 69 HG22 VAL 69 6.318 -3.552 -5.481 561 HG23 VAL 69 HG23 VAL 69 6.048 -1.976 -6.222 562 H LYS 70 H LYS 70 8.998 -3.873 -4.372 563 HA LYS 70 HA LYS 70 10.975 -1.845 -4.323 564 HB2 LYS 70 HB2 LYS 70 9.326 -2.449 -2.513 565 HB3 LYS 70 HB3 LYS 70 10.325 -3.852 -2.171 566 HG2 LYS 70 HG2 LYS 70 12.209 -2.040 -1.948 567 HG3 LYS 70 HG3 LYS 70 10.828 -0.987 -1.630 568 HD2 LYS 70 HD2 LYS 70 11.498 -1.771 0.475 569 HD3 LYS 70 HD3 LYS 70 10.085 -2.738 0.051 570 HE2 LYS 70 HE2 LYS 70 11.524 -4.555 -0.673 571 HE3 LYS 70 HE3 LYS 70 12.953 -3.585 -0.309 572 HZ1 LYS 70 HZ1 LYS 70 10.935 -4.579 1.616 573 HZ2 LYS 70 HZ2 LYS 70 12.187 -3.508 2.016 574 HZ3 LYS 70 HZ3 LYS 70 12.550 -5.074 1.487 575 H LYS 71 H LYS 71 11.086 -5.331 -4.291 576 HA LYS 71 HA LYS 71 13.712 -5.723 -3.318 577 HB2 LYS 71 HB2 LYS 71 11.851 -7.398 -3.340 578 HB3 LYS 71 HB3 LYS 71 12.060 -7.546 -5.078 579 HG2 LYS 71 HG2 LYS 71 14.405 -8.278 -4.651 580 HG3 LYS 71 HG3 LYS 71 14.019 -8.298 -2.930 581 HD2 LYS 71 HD2 LYS 71 12.330 -9.966 -3.270 582 HD3 LYS 71 HD3 LYS 71 12.519 -9.858 -5.021 583 HE2 LYS 71 HE2 LYS 71 14.632 -10.791 -3.079 584 HE3 LYS 71 HE3 LYS 71 13.641 -11.836 -4.098 585 HZ1 LYS 71 HZ1 LYS 71 15.803 -11.478 -5.090 586 HZ2 LYS 71 HZ2 LYS 71 15.584 -9.798 -5.057 587 HZ3 LYS 71 HZ3 LYS 71 14.606 -10.762 -6.052 588 H LYS 72 H LYS 72 12.411 -5.114 -6.515 589 HA LYS 72 HA LYS 72 14.595 -5.752 -8.149 590 HB2 LYS 72 HB2 LYS 72 12.332 -5.173 -8.972 591 HB3 LYS 72 HB3 LYS 72 12.572 -3.514 -8.470 592 HG2 LYS 72 HG2 LYS 72 14.464 -4.710 -10.442 593 HG3 LYS 72 HG3 LYS 72 12.851 -4.242 -10.969 594 HD2 LYS 72 HD2 LYS 72 13.226 -1.964 -10.314 595 HD3 LYS 72 HD3 LYS 72 14.762 -2.378 -9.551 596 HE2 LYS 72 HE2 LYS 72 15.849 -2.161 -11.474 597 HE3 LYS 72 HE3 LYS 72 14.725 -3.253 -12.285 598 HZ1 LYS 72 HZ1 LYS 72 14.356 -0.333 -11.881 599 HZ2 LYS 72 HZ2 LYS 72 13.196 -1.366 -12.564 600 HZ3 LYS 72 HZ3 LYS 72 14.678 -1.116 -13.349 601 H GLU 73 H GLU 73 13.895 -2.855 -6.261 602 HA GLU 73 HA GLU 73 16.246 -1.484 -7.321 603 HB2 GLU 73 HB2 GLU 73 13.859 -0.486 -7.046 604 HB3 GLU 73 HB3 GLU 73 14.271 -0.361 -5.344 605 HG2 GLU 73 HG2 GLU 73 14.653 1.755 -6.397 606 HG3 GLU 73 HG3 GLU 73 16.211 1.051 -5.961 607 H ASN 74 H ASN 74 17.041 -3.613 -5.852 608 HA ASN 74 HA ASN 74 18.608 -4.227 -4.350 609 HB2 ASN 74 HB2 ASN 74 19.639 -2.050 -4.986 610 HB3 ASN 74 HB3 ASN 74 18.796 -1.274 -3.664 611 HD21 ASN 74 HD21 ASN 74 19.711 -1.250 -1.703 612 HD22 ASN 74 HD22 ASN 74 21.188 -2.047 -1.294 613 H GLY 75 H GLY 75 15.630 -3.648 -3.563 614 HA2 GLY 75 HA2 GLY 75 14.344 -4.016 -1.691 615 HA3 GLY 75 HA3 GLY 75 15.820 -4.392 -0.812 616 H ALA 76 H ALA 76 15.670 -1.360 -2.441 617 HA ALA 76 HA ALA 76 15.857 -0.020 0.150 618 HB1 ALA 76 HB1 ALA 76 16.453 1.003 -2.626 619 HB2 ALA 76 HB2 ALA 76 17.638 0.368 -1.483 620 HB3 ALA 76 HB3 ALA 76 16.771 1.859 -1.118 621 H VAL 77 H VAL 77 14.945 2.260 0.211 622 HA VAL 77 HA VAL 77 12.168 2.352 -0.364 623 HB VAL 77 HB VAL 77 13.922 4.788 0.062 624 HG11 VAL 77 HG11 VAL 77 11.057 4.214 0.768 625 HG12 VAL 77 HG12 VAL 77 11.623 5.203 -0.577 626 HG13 VAL 77 HG13 VAL 77 11.918 5.720 1.084 627 HG21 VAL 77 HG21 VAL 77 14.473 3.219 1.849 628 HG22 VAL 77 HG22 VAL 77 12.760 3.025 2.220 629 HG23 VAL 77 HG23 VAL 77 13.547 4.583 2.471 630 H ALA 78 H ALA 78 11.236 2.736 -2.278 631 HA ALA 78 HA ALA 78 12.775 2.955 -4.629 632 HB1 ALA 78 HB1 ALA 78 10.670 3.025 -5.826 633 HB2 ALA 78 HB2 ALA 78 9.807 3.341 -4.320 634 HB3 ALA 78 HB3 ALA 78 10.630 1.799 -4.557 635 H SER 79 H SER 79 13.145 4.556 -6.044 636 HA SER 79 HA SER 79 12.470 7.295 -5.207 637 HB2 SER 79 HB2 SER 79 14.749 6.424 -4.364 638 HB3 SER 79 HB3 SER 79 15.261 6.504 -6.045 639 HG SER 79 HG SER 79 15.098 8.673 -6.018 640 H ILE 80 H ILE 80 11.455 5.605 -7.323 641 HA ILE 80 HA ILE 80 12.542 6.459 -9.827 642 HB ILE 80 HB ILE 80 11.442 4.329 -9.777 643 HG12 ILE 80 HG12 ILE 80 9.554 6.160 -11.280 644 HG13 ILE 80 HG13 ILE 80 11.161 5.741 -11.853 645 HG21 ILE 80 HG21 ILE 80 9.049 4.045 -9.279 646 HG22 ILE 80 HG22 ILE 80 8.961 5.747 -8.823 647 HG23 ILE 80 HG23 ILE 80 9.974 4.638 -7.898 648 HD11 ILE 80 HD11 ILE 80 8.904 3.794 -11.379 649 HD12 ILE 80 HD12 ILE 80 10.507 3.399 -12.006 650 HD13 ILE 80 HD13 ILE 80 9.419 4.423 -12.945 651 H ASN 81 H ASN 81 10.167 7.665 -7.615 652 HA ASN 81 HA ASN 81 9.020 9.580 -7.378 653 HB2 ASN 81 HB2 ASN 81 11.204 10.617 -8.228 654 HB3 ASN 81 HB3 ASN 81 10.416 10.746 -9.791 655 HD21 ASN 81 HD21 ASN 81 11.453 12.789 -7.988 656 HD22 ASN 81 HD22 ASN 81 10.137 13.871 -7.680 657 H TYR 82 H TYR 82 6.993 9.296 -7.696 658 HA TYR 82 HA TYR 82 5.931 8.233 -10.117 659 HB2 TYR 82 HB2 TYR 82 3.777 8.248 -8.968 660 HB3 TYR 82 HB3 TYR 82 5.034 7.554 -7.965 661 HD1 TYR 82 HD1 TYR 82 6.005 9.025 -6.094 662 HD2 TYR 82 HD2 TYR 82 2.424 9.976 -8.171 663 HE1 TYR 82 HE1 TYR 82 5.341 10.505 -4.250 664 HE2 TYR 82 HE2 TYR 82 1.749 11.467 -6.339 665 HH TYR 82 HH TYR 82 2.220 11.709 -3.884 666 H LYS 83 H LYS 83 6.184 11.422 -8.814 667 HA LYS 83 HA LYS 83 4.205 12.621 -10.510 668 HB2 LYS 83 HB2 LYS 83 6.404 13.767 -8.796 669 HB3 LYS 83 HB3 LYS 83 5.277 14.763 -9.712 670 HG2 LYS 83 HG2 LYS 83 3.438 14.044 -8.437 671 HG3 LYS 83 HG3 LYS 83 4.343 12.700 -7.740 672 HD2 LYS 83 HD2 LYS 83 5.060 15.584 -7.258 673 HD3 LYS 83 HD3 LYS 83 3.944 14.687 -6.226 674 HE2 LYS 83 HE2 LYS 83 5.696 13.043 -5.770 675 HE3 LYS 83 HE3 LYS 83 6.810 13.944 -6.795 676 HZ1 LYS 83 HZ1 LYS 83 6.562 15.839 -5.283 677 HZ2 LYS 83 HZ2 LYS 83 7.199 14.477 -4.502 678 HZ3 LYS 83 HZ3 LYS 83 5.576 14.905 -4.270 679 H LYS 84 H LYS 84 7.541 11.784 -10.858 680 HA LYS 84 HA LYS 84 7.744 13.349 -13.330 681 HB2 LYS 84 HB2 LYS 84 9.759 12.163 -11.473 682 HB3 LYS 84 HB3 LYS 84 10.192 12.316 -13.170 683 HG2 LYS 84 HG2 LYS 84 11.006 14.247 -12.094 684 HG3 LYS 84 HG3 LYS 84 9.584 14.753 -13.001 685 HD2 LYS 84 HD2 LYS 84 8.266 14.584 -10.900 686 HD3 LYS 84 HD3 LYS 84 9.766 14.230 -10.040 687 HE2 LYS 84 HE2 LYS 84 9.171 16.752 -11.590 688 HE3 LYS 84 HE3 LYS 84 9.151 16.590 -9.835 689 HZ1 LYS 84 HZ1 LYS 84 11.503 16.377 -11.637 690 HZ2 LYS 84 HZ2 LYS 84 11.543 15.940 -10.005 691 HZ3 LYS 84 HZ3 LYS 84 11.220 17.544 -10.440 692 H ALA 85 H ALA 85 6.547 10.497 -12.507 693 HA ALA 85 HA ALA 85 7.603 9.044 -14.825 694 HB1 ALA 85 HB1 ALA 85 5.968 8.035 -12.496 695 HB2 ALA 85 HB2 ALA 85 7.709 7.840 -12.702 696 HB3 ALA 85 HB3 ALA 85 6.595 7.051 -13.819 697 H SER 86 H SER 86 6.267 8.392 -16.463 698 HA SER 86 HA SER 86 3.866 9.984 -16.796 699 HB2 SER 86 HB2 SER 86 5.770 9.640 -18.507 700 HB3 SER 86 HB3 SER 86 5.056 8.057 -18.800 701 HG SER 86 HG SER 86 4.400 10.076 -20.101 702 H ALA 87 H ALA 87 2.331 8.478 -18.506 703 HA ALA 87 HA ALA 87 0.957 6.638 -16.791 704 HB1 ALA 87 HB1 ALA 87 -0.241 8.064 -18.369 705 HB2 ALA 87 HB2 ALA 87 -0.578 6.359 -18.663 706 HB3 ALA 87 HB3 ALA 87 0.534 7.233 -19.718 707 H ASP 88 H ASP 88 3.189 6.350 -19.476 708 HA ASP 88 HA ASP 88 3.054 3.541 -19.814 709 HB2 ASP 88 HB2 ASP 88 4.122 5.264 -21.370 710 HB3 ASP 88 HB3 ASP 88 5.492 5.262 -20.268 711 H GLU 89 H GLU 89 5.001 5.632 -17.766 712 HA GLU 89 HA GLU 89 6.558 3.538 -16.619 713 HB2 GLU 89 HB2 GLU 89 6.150 6.375 -15.674 714 HB3 GLU 89 HB3 GLU 89 7.365 5.260 -15.065 715 HG2 GLU 89 HG2 GLU 89 7.186 6.386 -17.849 716 HG3 GLU 89 HG3 GLU 89 8.380 6.790 -16.615 717 H LEU 90 H LEU 90 3.508 4.957 -15.902 718 HA LEU 90 HA LEU 90 3.101 4.207 -13.243 719 HB2 LEU 90 HB2 LEU 90 1.638 5.730 -14.265 720 HB3 LEU 90 HB3 LEU 90 1.271 4.634 -15.577 721 HG LEU 90 HG LEU 90 0.124 3.169 -13.813 722 HD11 LEU 90 HD11 LEU 90 0.304 5.739 -12.254 723 HD12 LEU 90 HD12 LEU 90 1.060 4.202 -11.831 724 HD13 LEU 90 HD13 LEU 90 -0.698 4.348 -11.837 725 HD21 LEU 90 HD21 LEU 90 -0.992 5.881 -14.493 726 HD22 LEU 90 HD22 LEU 90 -1.933 4.503 -13.926 727 HD23 LEU 90 HD23 LEU 90 -1.099 4.422 -15.478 728 H HIS 91 H HIS 91 2.659 2.289 -16.233 729 HA HIS 91 HA HIS 91 2.015 0.016 -14.534 730 HB2 HIS 91 HB2 HIS 91 1.564 -1.219 -16.619 731 HB3 HIS 91 HB3 HIS 91 0.592 0.227 -16.453 732 HD1 HIS 91 HD1 HIS 91 0.552 1.779 -18.401 733 HD2 HIS 91 HD2 HIS 91 3.681 -0.958 -18.627 734 HE1 HIS 91 HE1 HIS 91 1.514 2.035 -20.717 735 HE2 HIS 91 HE2 HIS 91 3.406 0.372 -20.838 736 H ALA 92 H ALA 92 4.764 1.449 -15.497 737 HA ALA 92 HA ALA 92 6.304 -0.854 -16.287 738 HB1 ALA 92 HB1 ALA 92 7.257 1.919 -15.611 739 HB2 ALA 92 HB2 ALA 92 6.813 1.352 -17.222 740 HB3 ALA 92 HB3 ALA 92 8.201 0.650 -16.389 741 H TYR 93 H TYR 93 5.638 0.788 -13.250 742 HA TYR 93 HA TYR 93 7.848 -0.126 -11.738 743 HB2 TYR 93 HB2 TYR 93 5.080 -0.041 -10.558 744 HB3 TYR 93 HB3 TYR 93 6.608 0.271 -9.765 745 HD1 TYR 93 HD1 TYR 93 7.806 2.489 -10.381 746 HD2 TYR 93 HD2 TYR 93 3.750 1.669 -11.301 747 HE1 TYR 93 HE1 TYR 93 7.355 4.902 -10.549 748 HE2 TYR 93 HE2 TYR 93 3.292 4.074 -11.488 749 HH TYR 93 HH TYR 93 5.773 6.404 -11.592 750 H PHE 94 H PHE 94 4.703 -1.533 -12.425 751 HA PHE 94 HA PHE 94 5.010 -3.727 -10.607 752 HB2 PHE 94 HB2 PHE 94 2.897 -2.346 -11.411 753 HB3 PHE 94 HB3 PHE 94 2.870 -3.588 -12.657 754 HD1 PHE 94 HD1 PHE 94 2.651 -2.965 -9.046 755 HD2 PHE 94 HD2 PHE 94 2.140 -5.791 -12.178 756 HE1 PHE 94 HE1 PHE 94 1.468 -4.461 -7.499 757 HE2 PHE 94 HE2 PHE 94 0.957 -7.295 -10.635 758 HZ PHE 94 HZ PHE 94 0.618 -6.629 -8.294 759 H ALA 95 H ALA 95 5.276 -3.217 -14.077 760 HA ALA 95 HA ALA 95 4.840 -5.910 -14.882 761 HB1 ALA 95 HB1 ALA 95 6.139 -3.673 -16.428 762 HB2 ALA 95 HB2 ALA 95 4.406 -3.992 -16.339 763 HB3 ALA 95 HB3 ALA 95 5.481 -5.167 -17.098 764 H GLU 96 H GLU 96 7.585 -4.393 -13.586 765 HA GLU 96 HA GLU 96 9.622 -5.809 -14.967 766 HB2 GLU 96 HB2 GLU 96 9.599 -4.312 -12.361 767 HB3 GLU 96 HB3 GLU 96 11.063 -4.981 -13.082 768 HG2 GLU 96 HG2 GLU 96 10.421 -3.623 -15.153 769 HG3 GLU 96 HG3 GLU 96 9.313 -2.766 -14.087 770 H VAL 97 H VAL 97 7.787 -6.441 -12.033 771 HA VAL 97 HA VAL 97 9.251 -8.969 -11.748 772 HB VAL 97 HB VAL 97 8.178 -9.099 -9.449 773 HG11 VAL 97 HG11 VAL 97 10.516 -8.565 -9.770 774 HG12 VAL 97 HG12 VAL 97 9.849 -7.585 -8.464 775 HG13 VAL 97 HG13 VAL 97 10.117 -6.871 -10.054 776 HG21 VAL 97 HG21 VAL 97 7.638 -6.175 -9.991 777 HG22 VAL 97 HG22 VAL 97 7.505 -6.971 -8.422 778 HG23 VAL 97 HG23 VAL 97 6.422 -7.428 -9.737 779 H LEU 98 H LEU 98 6.040 -7.580 -12.115 780 HA LEU 98 HA LEU 98 5.066 -10.271 -12.793 781 HB2 LEU 98 HB2 LEU 98 3.658 -8.057 -11.327 782 HB3 LEU 98 HB3 LEU 98 2.733 -9.201 -12.274 783 HG LEU 98 HG LEU 98 3.943 -10.999 -10.815 784 HD11 LEU 98 HD11 LEU 98 4.168 -8.582 -9.028 785 HD12 LEU 98 HD12 LEU 98 5.515 -9.494 -9.709 786 HD13 LEU 98 HD13 LEU 98 4.431 -10.258 -8.545 787 HD21 LEU 98 HD21 LEU 98 1.554 -10.576 -10.808 788 HD22 LEU 98 HD22 LEU 98 1.785 -9.211 -9.715 789 HD23 LEU 98 HD23 LEU 98 2.144 -10.849 -9.168 790 HA PRO 99 HA PRO 99 4.431 -7.814 -16.619 791 HB2 PRO 99 HB2 PRO 99 5.332 -9.627 -18.366 792 HB3 PRO 99 HB3 PRO 99 6.439 -8.620 -17.426 793 HG2 PRO 99 HG2 PRO 99 5.669 -11.476 -17.023 794 HG3 PRO 99 HG3 PRO 99 7.246 -10.696 -16.810 795 HD2 PRO 99 HD2 PRO 99 5.445 -11.294 -14.770 796 HD3 PRO 99 HD3 PRO 99 6.782 -10.134 -14.654 797 H ASN 100 H ASN 100 2.946 -10.221 -15.123 798 HA ASN 100 HA ASN 100 1.047 -10.830 -17.277 799 HB2 ASN 100 HB2 ASN 100 0.465 -12.862 -16.037 800 HB3 ASN 100 HB3 ASN 100 2.191 -12.822 -16.362 801 HD21 ASN 100 HD21 ASN 100 0.586 -14.239 -14.326 802 HD22 ASN 100 HD22 ASN 100 1.308 -13.827 -12.812 803 H TYR 101 H TYR 101 1.241 -8.484 -15.373 804 HA TYR 101 HA TYR 101 -0.665 -8.698 -13.321 805 HB2 TYR 101 HB2 TYR 101 -0.541 -6.273 -13.129 806 HB3 TYR 101 HB3 TYR 101 1.060 -6.962 -13.311 807 HD1 TYR 101 HD1 TYR 101 2.088 -6.852 -15.713 808 HD2 TYR 101 HD2 TYR 101 -1.194 -4.469 -14.423 809 HE1 TYR 101 HE1 TYR 101 2.554 -5.246 -17.510 810 HE2 TYR 101 HE2 TYR 101 -0.735 -2.856 -16.216 811 HH TYR 101 HH TYR 101 1.366 -3.570 -18.810 812 H ASP 102 H ASP 102 -2.658 -7.355 -13.141 813 HA ASP 102 HA ASP 102 -4.466 -8.677 -14.834 814 HB2 ASP 102 HB2 ASP 102 -4.793 -8.049 -12.428 815 HB3 ASP 102 HB3 ASP 102 -5.127 -6.410 -12.982 816 H ARG 103 H ARG 103 -3.903 -5.174 -14.468 817 HA ARG 103 HA ARG 103 -3.965 -3.422 -15.891 818 HB2 ARG 103 HB2 ARG 103 -3.017 -5.080 -17.528 819 HB3 ARG 103 HB3 ARG 103 -4.643 -5.337 -18.123 820 HG2 ARG 103 HG2 ARG 103 -4.754 -3.010 -18.839 821 HG3 ARG 103 HG3 ARG 103 -3.129 -2.737 -18.201 822 HD2 ARG 103 HD2 ARG 103 -3.025 -3.113 -20.595 823 HD3 ARG 103 HD3 ARG 103 -2.253 -4.446 -19.736 824 HE ARG 103 HE ARG 103 -5.028 -4.666 -20.722 825 HH11 ARG 103 HH11 ARG 103 -1.746 -5.936 -20.559 826 HH12 ARG 103 HH12 ARG 103 -2.125 -7.370 -21.456 827 HH21 ARG 103 HH21 ARG 103 -5.503 -6.561 -21.907 828 HH22 ARG 103 HH22 ARG 103 -4.253 -7.727 -22.214 829 H ASP 104 H ASP 104 -6.685 -5.529 -15.566 830 HA ASP 104 HA ASP 104 -8.545 -3.612 -16.726 831 HB2 ASP 104 HB2 ASP 104 -9.125 -6.196 -15.248 832 HB3 ASP 104 HB3 ASP 104 -10.300 -5.228 -16.129 833 H ARG 105 H ARG 105 -8.203 -5.211 -13.552 834 HA ARG 105 HA ARG 105 -9.592 -3.024 -12.229 835 HB2 ARG 105 HB2 ARG 105 -8.263 -5.483 -11.070 836 HB3 ARG 105 HB3 ARG 105 -9.154 -4.297 -10.138 837 HG2 ARG 105 HG2 ARG 105 -10.745 -5.901 -10.370 838 HG3 ARG 105 HG3 ARG 105 -11.096 -4.930 -11.800 839 HD2 ARG 105 HD2 ARG 105 -10.138 -6.484 -13.240 840 HD3 ARG 105 HD3 ARG 105 -9.177 -7.220 -11.963 841 HE ARG 105 HE ARG 105 -12.046 -7.533 -11.717 842 HH11 ARG 105 HH11 ARG 105 -9.033 -8.912 -12.919 843 HH12 ARG 105 HH12 ARG 105 -9.635 -10.543 -12.894 844 HH21 ARG 105 HH21 ARG 105 -12.817 -9.688 -11.689 845 HH22 ARG 105 HH22 ARG 105 -11.770 -10.976 -12.211 846 H VAL 106 H VAL 106 -6.362 -4.021 -12.886 847 HA VAL 106 HA VAL 106 -5.112 -2.190 -11.039 848 HB VAL 106 HB VAL 106 -3.976 -3.708 -13.416 849 HG11 VAL 106 HG11 VAL 106 -2.656 -1.680 -12.995 850 HG12 VAL 106 HG12 VAL 106 -1.757 -3.137 -12.575 851 HG13 VAL 106 HG13 VAL 106 -2.478 -2.150 -11.304 852 HG21 VAL 106 HG21 VAL 106 -2.915 -5.106 -11.695 853 HG22 VAL 106 HG22 VAL 106 -4.675 -5.149 -11.589 854 HG23 VAL 106 HG23 VAL 106 -3.747 -4.181 -10.444 855 H HIS 107 H HIS 107 -5.344 -0.087 -11.311 856 HA HIS 107 HA HIS 107 -5.343 1.058 -13.993 857 HB2 HIS 107 HB2 HIS 107 -7.390 2.463 -13.366 858 HB3 HIS 107 HB3 HIS 107 -7.668 0.781 -13.776 859 HD1 HIS 107 HD1 HIS 107 -9.812 0.444 -12.497 860 HD2 HIS 107 HD2 HIS 107 -6.769 1.972 -10.103 861 HE1 HIS 107 HE1 HIS 107 -10.689 0.341 -10.133 862 HE2 HIS 107 HE2 HIS 107 -8.756 1.079 -8.700 863 H ASN 108 H ASN 108 -5.761 3.571 -13.737 864 HA ASN 108 HA ASN 108 -3.448 4.607 -12.487 865 HB2 ASN 108 HB2 ASN 108 -4.463 5.549 -14.546 866 HB3 ASN 108 HB3 ASN 108 -5.851 6.074 -13.611 867 HD21 ASN 108 HD21 ASN 108 -5.710 7.929 -12.372 868 HD22 ASN 108 HD22 ASN 108 -4.349 8.998 -12.433 869 H GLY 109 H GLY 109 -3.137 5.572 -10.579 870 HA2 GLY 109 HA2 GLY 109 -3.984 7.065 -8.852 871 HA3 GLY 109 HA3 GLY 109 -5.503 6.186 -8.930 872 H ASP 110 H ASP 110 -4.884 3.618 -8.731 873 HA ASP 110 HA ASP 110 -4.214 3.314 -5.992 874 HB2 ASP 110 HB2 ASP 110 -4.770 1.356 -8.201 875 HB3 ASP 110 HB3 ASP 110 -4.229 0.798 -6.625 876 H ILE 111 H ILE 111 -2.424 2.811 -8.943 877 HA ILE 111 HA ILE 111 -0.133 1.698 -7.667 878 HB ILE 111 HB ILE 111 -0.121 3.093 -10.345 879 HG12 ILE 111 HG12 ILE 111 -1.987 1.430 -10.278 880 HG13 ILE 111 HG13 ILE 111 -0.735 1.034 -11.445 881 HG21 ILE 111 HG21 ILE 111 2.054 2.512 -9.475 882 HG22 ILE 111 HG22 ILE 111 1.664 1.480 -10.852 883 HG23 ILE 111 HG23 ILE 111 1.533 0.847 -9.210 884 HD11 ILE 111 HD11 ILE 111 0.162 -0.639 -9.900 885 HD12 ILE 111 HD12 ILE 111 -1.526 -0.947 -10.303 886 HD13 ILE 111 HD13 ILE 111 -1.108 -0.241 -8.739 887 H LYS 112 H LYS 112 -1.174 4.994 -8.517 888 HA LYS 112 HA LYS 112 1.401 6.154 -8.075 889 HB2 LYS 112 HB2 LYS 112 -1.327 7.336 -8.485 890 HB3 LYS 112 HB3 LYS 112 0.040 8.344 -8.034 891 HG2 LYS 112 HG2 LYS 112 -0.169 6.617 -10.492 892 HG3 LYS 112 HG3 LYS 112 -0.274 8.379 -10.431 893 HD2 LYS 112 HD2 LYS 112 2.033 8.447 -9.548 894 HD3 LYS 112 HD3 LYS 112 2.127 6.694 -9.711 895 HE2 LYS 112 HE2 LYS 112 3.206 7.583 -11.614 896 HE3 LYS 112 HE3 LYS 112 1.628 7.031 -12.171 897 HZ1 LYS 112 HZ1 LYS 112 0.830 9.277 -12.159 898 HZ2 LYS 112 HZ2 LYS 112 2.275 9.237 -13.039 899 HZ3 LYS 112 HZ3 LYS 112 2.265 9.844 -11.460 900 H LYS 113 H LYS 113 -1.412 5.638 -6.014 901 HA LYS 113 HA LYS 113 -0.370 7.183 -3.827 902 HB2 LYS 113 HB2 LYS 113 -2.183 6.241 -2.505 903 HB3 LYS 113 HB3 LYS 113 -2.794 6.756 -4.066 904 HG2 LYS 113 HG2 LYS 113 -2.740 4.416 -4.835 905 HG3 LYS 113 HG3 LYS 113 -2.182 3.924 -3.239 906 HD2 LYS 113 HD2 LYS 113 -4.505 3.509 -3.275 907 HD3 LYS 113 HD3 LYS 113 -4.292 4.975 -2.321 908 HE2 LYS 113 HE2 LYS 113 -4.939 6.334 -4.219 909 HE3 LYS 113 HE3 LYS 113 -5.060 4.897 -5.234 910 HZ1 LYS 113 HZ1 LYS 113 -6.835 4.083 -3.807 911 HZ2 LYS 113 HZ2 LYS 113 -7.234 5.595 -4.459 912 HZ3 LYS 113 HZ3 LYS 113 -6.729 5.474 -2.847 913 H LEU 114 H LEU 114 0.027 3.970 -5.000 914 HA LEU 114 HA LEU 114 1.028 2.764 -2.630 915 HB2 LEU 114 HB2 LEU 114 0.189 1.156 -3.963 916 HB3 LEU 114 HB3 LEU 114 0.493 2.057 -5.422 917 HG LEU 114 HG LEU 114 2.737 0.569 -4.067 918 HD11 LEU 114 HD11 LEU 114 0.720 -0.533 -6.017 919 HD12 LEU 114 HD12 LEU 114 0.928 -1.030 -4.336 920 HD13 LEU 114 HD13 LEU 114 2.211 -1.331 -5.510 921 HD21 LEU 114 HD21 LEU 114 2.114 1.360 -6.908 922 HD22 LEU 114 HD22 LEU 114 3.491 0.375 -6.410 923 HD23 LEU 114 HD23 LEU 114 3.361 2.049 -5.859 924 H ILE 115 H ILE 115 2.465 4.726 -5.126 925 HA ILE 115 HA ILE 115 5.202 3.998 -4.685 926 HB ILE 115 HB ILE 115 4.304 6.720 -5.640 927 HG12 ILE 115 HG12 ILE 115 3.083 5.055 -6.974 928 HG13 ILE 115 HG13 ILE 115 4.293 5.887 -7.942 929 HG21 ILE 115 HG21 ILE 115 6.681 6.481 -5.187 930 HG22 ILE 115 HG22 ILE 115 6.404 6.660 -6.920 931 HG23 ILE 115 HG23 ILE 115 6.761 5.070 -6.242 932 HD11 ILE 115 HD11 ILE 115 4.541 3.118 -6.786 933 HD12 ILE 115 HD12 ILE 115 5.766 3.946 -7.748 934 HD13 ILE 115 HD13 ILE 115 4.213 3.527 -8.471 935 H SER 116 H SER 116 3.014 6.405 -3.387 936 HA SER 116 HA SER 116 4.825 7.764 -1.690 937 HB2 SER 116 HB2 SER 116 2.598 8.633 -2.396 938 HB3 SER 116 HB3 SER 116 1.832 7.394 -1.411 939 HG SER 116 HG SER 116 1.906 8.881 0.071 940 H TRP 117 H TRP 117 2.920 4.830 -1.381 941 HA TRP 117 HA TRP 117 3.346 4.654 1.465 942 HB2 TRP 117 HB2 TRP 117 1.979 2.766 -0.453 943 HB3 TRP 117 HB3 TRP 117 2.057 2.538 1.292 944 HD1 TRP 117 HD1 TRP 117 1.552 5.959 1.512 945 HE1 TRP 117 HE1 TRP 117 -0.912 6.685 1.477 946 HE3 TRP 117 HE3 TRP 117 -0.498 1.726 -0.458 947 HZ2 TRP 117 HZ2 TRP 117 -3.403 5.599 0.718 948 HZ3 TRP 117 HZ3 TRP 117 -2.923 1.640 -0.804 949 HH2 TRP 117 HH2 TRP 117 -4.351 3.539 -0.228 950 H TYR 118 H TYR 118 5.005 3.512 -1.377 951 HA TYR 118 HA TYR 118 6.660 1.551 -0.189 952 HB2 TYR 118 HB2 TYR 118 7.530 3.743 -2.073 953 HB3 TYR 118 HB3 TYR 118 8.479 2.340 -1.657 954 HD1 TYR 118 HD1 TYR 118 6.057 0.338 -2.100 955 HD2 TYR 118 HD2 TYR 118 7.766 3.541 -4.303 956 HE1 TYR 118 HE1 TYR 118 5.380 -0.736 -4.211 957 HE2 TYR 118 HE2 TYR 118 7.093 2.495 -6.402 958 HH TYR 118 HH TYR 118 4.924 -0.066 -6.566 959 H ASN 119 H ASN 119 6.856 5.046 -0.420 960 HA ASN 119 HA ASN 119 9.398 5.307 0.792 961 HB2 ASN 119 HB2 ASN 119 8.089 6.883 -0.830 962 HB3 ASN 119 HB3 ASN 119 7.450 7.579 0.656 963 HD21 ASN 119 HD21 ASN 119 10.302 7.039 -1.270 964 HD22 ASN 119 HD22 ASN 119 11.294 8.226 -0.502 965 H ILE 120 H ILE 120 6.182 5.288 2.142 966 HA ILE 120 HA ILE 120 6.966 6.297 4.723 967 HB ILE 120 HB ILE 120 4.442 4.830 3.901 968 HG12 ILE 120 HG12 ILE 120 4.932 7.796 4.250 969 HG13 ILE 120 HG13 ILE 120 4.909 6.972 2.698 970 HG21 ILE 120 HG21 ILE 120 3.435 5.742 5.927 971 HG22 ILE 120 HG22 ILE 120 4.965 6.507 6.367 972 HG23 ILE 120 HG23 ILE 120 4.836 4.747 6.336 973 HD11 ILE 120 HD11 ILE 120 2.591 7.203 4.602 974 HD12 ILE 120 HD12 ILE 120 2.567 6.397 3.033 975 HD13 ILE 120 HD13 ILE 120 2.826 8.140 3.127 976 H LEU 121 H LEU 121 6.355 3.082 3.324 977 HA LEU 121 HA LEU 121 6.444 1.729 5.839 978 HB2 LEU 121 HB2 LEU 121 5.867 1.048 3.066 979 HB3 LEU 121 HB3 LEU 121 6.715 -0.231 3.914 980 HG LEU 121 HG LEU 121 4.958 -0.386 5.574 981 HD11 LEU 121 HD11 LEU 121 2.953 0.977 5.490 982 HD12 LEU 121 HD12 LEU 121 3.619 1.893 4.138 983 HD13 LEU 121 HD13 LEU 121 4.383 1.982 5.724 984 HD21 LEU 121 HD21 LEU 121 3.037 -1.013 4.175 985 HD22 LEU 121 HD22 LEU 121 4.562 -1.643 3.551 986 HD23 LEU 121 HD23 LEU 121 3.811 -0.237 2.792 987 H VAL 122 H VAL 122 8.729 1.837 3.096 988 HA VAL 122 HA VAL 122 10.585 0.038 4.315 989 HB VAL 122 HB VAL 122 11.279 2.007 2.133 990 HG11 VAL 122 HG11 VAL 122 13.147 0.721 3.019 991 HG12 VAL 122 HG12 VAL 122 12.783 0.248 1.360 992 HG13 VAL 122 HG13 VAL 122 12.278 -0.782 2.702 993 HG21 VAL 122 HG21 VAL 122 9.880 -0.643 1.814 994 HG22 VAL 122 HG22 VAL 122 10.523 0.342 0.499 995 HG23 VAL 122 HG23 VAL 122 9.195 0.950 1.488 996 H ASN 123 H ASN 123 10.021 3.404 4.622 997 HA ASN 123 HA ASN 123 12.603 4.317 5.389 998 HB2 ASN 123 HB2 ASN 123 10.531 5.618 4.553 999 HB3 ASN 123 HB3 ASN 123 10.007 5.572 6.225 1000 HD21 ASN 123 HD21 ASN 123 12.435 6.758 4.033 1001 HD22 ASN 123 HD22 ASN 123 13.054 7.985 5.075 1002 H ASN 124 H ASN 124 9.703 3.384 7.204 1003 HA ASN 124 HA ASN 124 11.052 3.879 9.725 1004 HB2 ASN 124 HB2 ASN 124 8.204 3.192 9.033 1005 HB3 ASN 124 HB3 ASN 124 8.784 3.230 10.697 1006 HD21 ASN 124 HD21 ASN 124 7.825 5.089 7.968 1007 HD22 ASN 124 HD22 ASN 124 7.985 6.642 8.709 1008 H GLY 125 H GLY 125 11.527 1.528 7.796 1009 HA2 GLY 125 HA2 GLY 125 12.325 -0.599 8.019 1010 HA3 GLY 125 HA3 GLY 125 12.373 -0.300 9.749 1011 H ILE 126 H ILE 126 9.518 -0.302 7.671 1012 HA ILE 126 HA ILE 126 8.232 -2.235 9.367 1013 HB ILE 126 HB ILE 126 7.225 -1.117 6.746 1014 HG12 ILE 126 HG12 ILE 126 6.874 -0.140 9.600 1015 HG13 ILE 126 HG13 ILE 126 7.678 0.715 8.284 1016 HG21 ILE 126 HG21 ILE 126 5.780 -2.467 9.035 1017 HG22 ILE 126 HG22 ILE 126 6.112 -3.182 7.458 1018 HG23 ILE 126 HG23 ILE 126 5.018 -1.802 7.587 1019 HD11 ILE 126 HD11 ILE 126 5.486 1.637 8.767 1020 HD12 ILE 126 HD12 ILE 126 4.743 0.075 8.427 1021 HD13 ILE 126 HD13 ILE 126 5.559 0.962 7.139 1022 H THR 127 H THR 127 8.822 -4.223 9.264 1023 HA THR 127 HA THR 127 9.550 -5.413 6.677 1024 HB THR 127 HB THR 127 10.792 -7.091 8.158 1025 HG1 THR 127 HG1 THR 127 10.301 -6.791 10.215 1026 HG21 THR 127 HG21 THR 127 11.970 -5.403 6.869 1027 HG22 THR 127 HG22 THR 127 12.721 -5.566 8.457 1028 HG23 THR 127 HG23 THR 127 11.659 -4.198 8.119 1029 H GLU 128 H GLU 128 6.905 -5.098 7.864 1030 HA GLU 128 HA GLU 128 6.087 -7.698 8.832 1031 HB2 GLU 128 HB2 GLU 128 4.561 -5.144 8.315 1032 HB3 GLU 128 HB3 GLU 128 3.860 -6.586 9.019 1033 HG2 GLU 128 HG2 GLU 128 5.562 -6.382 10.863 1034 HG3 GLU 128 HG3 GLU 128 5.972 -4.802 10.195 1035 H PHE 129 H PHE 129 6.685 -6.581 5.830 1036 HA PHE 129 HA PHE 129 4.686 -8.294 4.559 1037 HB2 PHE 129 HB2 PHE 129 4.112 -6.594 2.899 1038 HB3 PHE 129 HB3 PHE 129 3.783 -5.979 4.510 1039 HD1 PHE 129 HD1 PHE 129 5.674 -4.487 5.553 1040 HD2 PHE 129 HD2 PHE 129 5.274 -5.261 1.380 1041 HE1 PHE 129 HE1 PHE 129 7.010 -2.500 5.056 1042 HE2 PHE 129 HE2 PHE 129 6.633 -3.280 0.888 1043 HZ PHE 129 HZ PHE 129 7.504 -1.895 2.720 1044 H VAL 130 H VAL 130 7.847 -7.845 5.007 1045 HA VAL 130 HA VAL 130 8.609 -7.843 2.181 1046 HB VAL 130 HB VAL 130 10.689 -6.851 2.688 1047 HG11 VAL 130 HG11 VAL 130 8.620 -5.490 4.391 1048 HG12 VAL 130 HG12 VAL 130 8.900 -5.252 2.664 1049 HG13 VAL 130 HG13 VAL 130 10.129 -4.764 3.832 1050 HG21 VAL 130 HG21 VAL 130 11.321 -8.091 4.657 1051 HG22 VAL 130 HG22 VAL 130 10.136 -7.208 5.621 1052 HG23 VAL 130 HG23 VAL 130 11.513 -6.360 4.919 1053 H GLU 131 H GLU 131 10.455 -9.073 1.517 1054 HA GLU 131 HA GLU 131 11.186 -11.285 3.310 1055 HB2 GLU 131 HB2 GLU 131 11.847 -12.539 1.243 1056 HB3 GLU 131 HB3 GLU 131 10.124 -12.252 1.406 1057 HG2 GLU 131 HG2 GLU 131 10.162 -10.571 -0.267 1058 HG3 GLU 131 HG3 GLU 131 11.926 -10.550 -0.288 1059 H ALA 132 H ALA 132 12.291 -8.741 1.159 1060 HA ALA 132 HA ALA 132 15.070 -9.208 1.990 1061 HB1 ALA 132 HB1 ALA 132 14.687 -8.816 -0.406 1062 HB2 ALA 132 HB2 ALA 132 15.659 -7.527 0.305 1063 HB3 ALA 132 HB3 ALA 132 13.949 -7.258 -0.035 1064 HA PRO 133 HA PRO 133 13.904 -6.108 5.018 1065 HB2 PRO 133 HB2 PRO 133 15.784 -6.711 6.863 1066 HB3 PRO 133 HB3 PRO 133 14.327 -7.677 6.618 1067 HG2 PRO 133 HG2 PRO 133 17.124 -8.257 5.870 1068 HG3 PRO 133 HG3 PRO 133 15.791 -9.373 6.206 1069 HD2 PRO 133 HD2 PRO 133 16.779 -8.576 3.665 1070 HD3 PRO 133 HD3 PRO 133 15.348 -9.566 3.998 1071 H ALA 134 H ALA 134 14.354 -4.050 4.703 1072 HA ALA 134 HA ALA 134 17.143 -3.215 4.384 1073 HB1 ALA 134 HB1 ALA 134 15.599 -2.456 2.635 1074 HB2 ALA 134 HB2 ALA 134 16.271 -1.104 3.545 1075 HB3 ALA 134 HB3 ALA 134 14.621 -1.641 3.856 1076 H LEU 135 H LEU 135 17.895 -3.172 6.435 1077 HA LEU 135 HA LEU 135 16.394 -1.681 8.433 1078 HB2 LEU 135 HB2 LEU 135 18.955 -3.276 8.671 1079 HB3 LEU 135 HB3 LEU 135 18.285 -2.330 9.980 1080 HG LEU 135 HG LEU 135 17.627 -4.479 10.506 1081 HD11 LEU 135 HD11 LEU 135 15.705 -3.022 10.598 1082 HD12 LEU 135 HD12 LEU 135 15.222 -4.660 10.157 1083 HD13 LEU 135 HD13 LEU 135 15.311 -3.403 8.922 1084 HD21 LEU 135 HD21 LEU 135 18.364 -5.588 8.492 1085 HD22 LEU 135 HD22 LEU 135 16.964 -4.974 7.614 1086 HD23 LEU 135 HD23 LEU 135 16.743 -6.128 8.930 1087 H GLU 136 H GLU 136 16.512 0.371 7.878 1088 HA GLU 136 HA GLU 136 18.831 1.710 6.969 1089 HB2 GLU 136 HB2 GLU 136 16.307 2.800 8.235 1090 HB3 GLU 136 HB3 GLU 136 17.498 3.760 7.375 1091 HG2 GLU 136 HG2 GLU 136 15.809 1.566 6.183 1092 HG3 GLU 136 HG3 GLU 136 15.545 3.301 5.995 1093 H HIS 137 H HIS 137 20.187 3.174 8.084 1094 HA HIS 137 HA HIS 137 21.056 2.102 10.577 1095 HB2 HIS 137 HB2 HIS 137 22.471 3.037 8.659 1096 HB3 HIS 137 HB3 HIS 137 22.081 4.631 9.290 1097 HD1 HIS 137 HD1 HIS 137 23.654 5.520 11.019 1098 HD2 HIS 137 HD2 HIS 137 23.925 1.392 10.608 1099 HE1 HIS 137 HE1 HIS 137 25.634 4.826 12.411 1100 HE2 HIS 137 HE2 HIS 137 25.861 2.347 12.038 1101 H HIS 138 H HIS 138 19.697 2.446 12.222 1102 HA HIS 138 HA HIS 138 18.329 3.343 13.762 1103 HB2 HIS 138 HB2 HIS 138 20.621 4.613 14.143 1104 HB3 HIS 138 HB3 HIS 138 19.691 6.008 13.605 1105 HD1 HIS 138 HD1 HIS 138 19.578 3.326 16.289 1106 HD2 HIS 138 HD2 HIS 138 18.181 7.173 15.548 1107 HE1 HIS 138 HE1 HIS 138 18.488 4.073 18.430 1108 HE2 HIS 138 HE2 HIS 138 17.764 6.452 18.002 1109 H HIS 139 H HIS 139 17.492 3.393 11.118 1110 HA HIS 139 HA HIS 139 15.975 4.112 9.642 1111 HB2 HIS 139 HB2 HIS 139 15.035 6.023 11.791 1112 HB3 HIS 139 HB3 HIS 139 14.212 5.738 10.263 1113 HD1 HIS 139 HD1 HIS 139 13.861 4.853 13.603 1114 HD2 HIS 139 HD2 HIS 139 13.843 2.642 10.079 1115 HE1 HIS 139 HE1 HIS 139 12.616 2.732 14.142 1116 HE2 HIS 139 HE2 HIS 139 12.465 1.492 11.958 1117 H HIS 140 H HIS 140 16.884 7.143 11.257 1118 HA HIS 140 HA HIS 140 17.896 9.031 10.600 1119 HB2 HIS 140 HB2 HIS 140 19.690 7.232 10.063 1120 HB3 HIS 140 HB3 HIS 140 19.290 7.555 8.382 1121 HD1 HIS 140 HD1 HIS 140 20.793 9.187 11.418 1122 HD2 HIS 140 HD2 HIS 140 20.352 9.893 7.346 1123 HE1 HIS 140 HE1 HIS 140 22.261 11.160 10.913 1124 HE2 HIS 140 HE2 HIS 140 21.844 11.680 8.486 1125 H HIS 141 H HIS 141 15.799 9.752 9.948 1126 HA HIS 141 HA HIS 141 15.926 10.770 7.231 1127 HB2 HIS 141 HB2 HIS 141 14.506 8.717 7.106 1128 HB3 HIS 141 HB3 HIS 141 13.432 9.420 8.308 1129 HD1 HIS 141 HD1 HIS 141 11.394 10.331 7.262 1130 HD2 HIS 141 HD2 HIS 141 14.677 10.686 4.739 1131 HE1 HIS 141 HE1 HIS 141 10.513 11.391 5.156 1132 HE2 HIS 141 HE2 HIS 141 12.496 11.499 3.600 1133 H HIS 142 H HIS 142 15.884 12.883 7.528 1134 HA HIS 142 HA HIS 142 14.249 13.982 9.702 1135 HB2 HIS 142 HB2 HIS 142 15.588 16.035 9.522 1136 HB3 HIS 142 HB3 HIS 142 16.586 14.636 9.857 1137 HD1 HIS 142 HD1 HIS 142 16.031 17.334 7.360 1138 HD2 HIS 142 HD2 HIS 142 18.389 13.933 7.782 1139 HE1 HIS 142 HE1 HIS 142 17.821 17.526 5.601 1140 HE2 HIS 142 HE2 HIS 142 19.305 15.520 5.948 Start of MODEL 14 1 H1 MET 1 H1 MET 1 2.151 -7.841 9.254 2 H2 MET 1 H2 MET 1 0.575 -8.131 9.808 3 H3 MET 1 H3 MET 1 0.994 -6.599 9.214 4 HA MET 1 HA MET 1 1.405 -7.564 7.031 5 HB2 MET 1 HB2 MET 1 1.892 -9.853 7.757 6 HB3 MET 1 HB3 MET 1 0.240 -10.042 8.326 7 HG2 MET 1 HG2 MET 1 -0.537 -9.728 5.983 8 HG3 MET 1 HG3 MET 1 1.151 -9.725 5.472 9 HE1 MET 1 HE1 MET 1 -0.233 -13.189 4.250 10 HE2 MET 1 HE2 MET 1 0.518 -11.666 3.772 11 HE3 MET 1 HE3 MET 1 -1.142 -11.681 4.366 12 H LEU 2 H LEU 2 -1.336 -8.326 9.178 13 HA LEU 2 HA LEU 2 -3.100 -7.322 7.071 14 HB2 LEU 2 HB2 LEU 2 -4.866 -8.713 8.270 15 HB3 LEU 2 HB3 LEU 2 -3.652 -9.564 7.339 16 HG LEU 2 HG LEU 2 -2.560 -9.548 9.873 17 HD11 LEU 2 HD11 LEU 2 -4.593 -8.684 10.874 18 HD12 LEU 2 HD12 LEU 2 -4.324 -10.356 11.365 19 HD13 LEU 2 HD13 LEU 2 -5.530 -9.984 10.135 20 HD21 LEU 2 HD21 LEU 2 -4.301 -11.641 8.584 21 HD22 LEU 2 HD22 LEU 2 -3.149 -11.919 9.892 22 HD23 LEU 2 HD23 LEU 2 -2.576 -11.400 8.305 23 H LYS 3 H LYS 3 -3.860 -5.421 7.388 24 HA LYS 3 HA LYS 3 -5.220 -3.790 8.158 25 HB2 LYS 3 HB2 LYS 3 -5.976 -5.819 10.261 26 HB3 LYS 3 HB3 LYS 3 -6.851 -4.335 9.921 27 HG2 LYS 3 HG2 LYS 3 -7.430 -5.130 7.715 28 HG3 LYS 3 HG3 LYS 3 -6.448 -6.580 7.949 29 HD2 LYS 3 HD2 LYS 3 -7.884 -7.230 9.827 30 HD3 LYS 3 HD3 LYS 3 -8.870 -5.794 9.562 31 HE2 LYS 3 HE2 LYS 3 -8.467 -8.032 7.584 32 HE3 LYS 3 HE3 LYS 3 -9.884 -7.811 8.609 33 HZ1 LYS 3 HZ1 LYS 3 -10.372 -6.949 6.466 34 HZ2 LYS 3 HZ2 LYS 3 -8.954 -6.033 6.426 35 HZ3 LYS 3 HZ3 LYS 3 -10.195 -5.619 7.504 36 H THR 4 H THR 4 -2.449 -3.932 9.244 37 HA THR 4 HA THR 4 -2.860 -2.833 11.948 38 HB THR 4 HB THR 4 -0.289 -3.781 10.649 39 HG1 THR 4 HG1 THR 4 -1.901 -5.422 11.167 40 HG21 THR 4 HG21 THR 4 0.106 -2.080 12.381 41 HG22 THR 4 HG22 THR 4 0.674 -3.668 12.897 42 HG23 THR 4 HG23 THR 4 -0.843 -3.024 13.527 43 H ILE 5 H ILE 5 -1.131 -2.179 8.912 44 HA ILE 5 HA ILE 5 -1.049 0.641 9.597 45 HB ILE 5 HB ILE 5 0.189 -1.041 7.500 46 HG12 ILE 5 HG12 ILE 5 1.396 -0.273 9.484 47 HG13 ILE 5 HG13 ILE 5 2.137 0.294 7.998 48 HG21 ILE 5 HG21 ILE 5 -0.416 1.847 6.918 49 HG22 ILE 5 HG22 ILE 5 -0.948 0.434 5.999 50 HG23 ILE 5 HG23 ILE 5 0.763 0.866 6.047 51 HD11 ILE 5 HD11 ILE 5 0.398 1.933 9.831 52 HD12 ILE 5 HD12 ILE 5 1.172 2.506 8.353 53 HD13 ILE 5 HD13 ILE 5 2.158 2.005 9.728 54 H LEU 6 H LEU 6 -2.508 2.019 9.069 55 HA LEU 6 HA LEU 6 -4.656 1.204 7.255 56 HB2 LEU 6 HB2 LEU 6 -4.580 2.702 9.784 57 HB3 LEU 6 HB3 LEU 6 -5.593 3.420 8.549 58 HG LEU 6 HG LEU 6 -6.887 1.341 8.385 59 HD11 LEU 6 HD11 LEU 6 -6.602 -0.453 9.996 60 HD12 LEU 6 HD12 LEU 6 -5.186 0.356 10.665 61 HD13 LEU 6 HD13 LEU 6 -5.149 -0.259 9.013 62 HD21 LEU 6 HD21 LEU 6 -6.607 2.424 11.176 63 HD22 LEU 6 HD22 LEU 6 -7.969 1.477 10.578 64 HD23 LEU 6 HD23 LEU 6 -7.632 3.068 9.893 65 H SER 7 H SER 7 -5.080 2.346 5.524 66 HA SER 7 HA SER 7 -3.266 4.449 4.699 67 HB2 SER 7 HB2 SER 7 -5.631 3.235 3.235 68 HB3 SER 7 HB3 SER 7 -4.310 4.165 2.527 69 HG SER 7 HG SER 7 -2.918 2.431 3.384 70 H ILE 8 H ILE 8 -3.798 6.594 4.791 71 HA ILE 8 HA ILE 8 -6.504 7.224 5.746 72 HB ILE 8 HB ILE 8 -3.869 8.176 6.907 73 HG12 ILE 8 HG12 ILE 8 -4.533 5.964 7.725 74 HG13 ILE 8 HG13 ILE 8 -4.623 7.162 9.008 75 HG21 ILE 8 HG21 ILE 8 -6.659 9.104 7.633 76 HG22 ILE 8 HG22 ILE 8 -5.400 10.063 6.858 77 HG23 ILE 8 HG23 ILE 8 -5.188 9.511 8.519 78 HD11 ILE 8 HD11 ILE 8 -6.495 5.614 9.105 79 HD12 ILE 8 HD12 ILE 8 -6.960 6.059 7.462 80 HD13 ILE 8 HD13 ILE 8 -7.051 7.252 8.758 81 H ALA 9 H ALA 9 -7.318 8.388 4.178 82 HA ALA 9 HA ALA 9 -7.778 9.977 2.673 83 HB1 ALA 9 HB1 ALA 9 -7.373 11.428 4.596 84 HB2 ALA 9 HB2 ALA 9 -7.025 12.217 3.059 85 HB3 ALA 9 HB3 ALA 9 -5.700 11.641 4.073 86 H GLY 10 H GLY 10 -4.311 10.645 2.928 87 HA2 GLY 10 HA2 GLY 10 -3.137 9.709 0.752 88 HA3 GLY 10 HA3 GLY 10 -4.157 10.954 0.026 89 H LYS 11 H LYS 11 -4.041 12.662 2.335 90 HA LYS 11 HA LYS 11 -1.515 13.952 1.896 91 HB2 LYS 11 HB2 LYS 11 -3.589 15.278 2.022 92 HB3 LYS 11 HB3 LYS 11 -3.839 14.751 3.676 93 HG2 LYS 11 HG2 LYS 11 -1.273 16.104 3.105 94 HG3 LYS 11 HG3 LYS 11 -2.726 17.099 3.027 95 HD2 LYS 11 HD2 LYS 11 -3.249 16.700 5.282 96 HD3 LYS 11 HD3 LYS 11 -2.166 15.310 5.377 97 HE2 LYS 11 HE2 LYS 11 -1.270 18.160 4.975 98 HE3 LYS 11 HE3 LYS 11 -1.296 17.328 6.530 99 HZ1 LYS 11 HZ1 LYS 11 0.904 17.272 5.515 100 HZ2 LYS 11 HZ2 LYS 11 0.281 16.477 4.154 101 HZ3 LYS 11 HZ3 LYS 11 0.268 15.708 5.664 102 HA PRO 12 HA PRO 12 -0.630 12.910 6.491 103 HB2 PRO 12 HB2 PRO 12 -2.640 11.128 7.581 104 HB3 PRO 12 HB3 PRO 12 -2.156 12.732 8.136 105 HG2 PRO 12 HG2 PRO 12 -4.573 12.241 7.050 106 HG3 PRO 12 HG3 PRO 12 -3.738 13.796 6.863 107 HD2 PRO 12 HD2 PRO 12 -3.872 11.481 4.962 108 HD3 PRO 12 HD3 PRO 12 -4.121 13.211 4.636 109 H GLY 13 H GLY 13 -0.981 10.812 4.080 110 HA2 GLY 13 HA2 GLY 13 -0.065 8.826 3.500 111 HA3 GLY 13 HA3 GLY 13 0.969 9.022 4.899 112 H LEU 14 H LEU 14 0.764 7.690 6.529 113 HA LEU 14 HA LEU 14 -1.474 5.797 6.605 114 HB2 LEU 14 HB2 LEU 14 1.450 5.049 6.616 115 HB3 LEU 14 HB3 LEU 14 0.114 3.939 6.840 116 HG LEU 14 HG LEU 14 0.370 5.534 4.310 117 HD11 LEU 14 HD11 LEU 14 1.560 3.667 3.335 118 HD12 LEU 14 HD12 LEU 14 1.637 2.884 4.915 119 HD13 LEU 14 HD13 LEU 14 2.480 4.410 4.642 120 HD21 LEU 14 HD21 LEU 14 -0.852 2.858 4.938 121 HD22 LEU 14 HD22 LEU 14 -0.866 3.672 3.372 122 HD23 LEU 14 HD23 LEU 14 -1.733 4.373 4.738 123 H TYR 15 H TYR 15 -1.791 4.806 8.626 124 HA TYR 15 HA TYR 15 -0.120 5.724 10.857 125 HB2 TYR 15 HB2 TYR 15 -3.103 6.045 10.614 126 HB3 TYR 15 HB3 TYR 15 -2.288 6.044 12.173 127 HD1 TYR 15 HD1 TYR 15 -0.448 7.800 12.525 128 HD2 TYR 15 HD2 TYR 15 -3.304 8.020 9.393 129 HE1 TYR 15 HE1 TYR 15 -0.013 10.205 12.306 130 HE2 TYR 15 HE2 TYR 15 -2.875 10.425 9.163 131 HH TYR 15 HH TYR 15 -0.207 11.953 10.586 132 H LYS 16 H LYS 16 -0.235 4.400 12.747 133 HA LYS 16 HA LYS 16 -0.802 1.609 12.105 134 HB2 LYS 16 HB2 LYS 16 0.569 2.861 14.491 135 HB3 LYS 16 HB3 LYS 16 0.462 1.137 14.170 136 HG2 LYS 16 HG2 LYS 16 1.980 1.235 12.426 137 HG3 LYS 16 HG3 LYS 16 1.718 2.959 12.159 138 HD2 LYS 16 HD2 LYS 16 3.880 2.658 13.168 139 HD3 LYS 16 HD3 LYS 16 2.807 3.406 14.349 140 HE2 LYS 16 HE2 LYS 16 2.427 1.149 15.334 141 HE3 LYS 16 HE3 LYS 16 3.645 0.513 14.228 142 HZ1 LYS 16 HZ1 LYS 16 4.064 2.580 16.321 143 HZ2 LYS 16 HZ2 LYS 16 5.250 2.060 15.220 144 HZ3 LYS 16 HZ3 LYS 16 4.619 0.976 16.362 145 H LEU 17 H LEU 17 -2.535 0.536 12.879 146 HA LEU 17 HA LEU 17 -4.420 2.056 14.504 147 HB2 LEU 17 HB2 LEU 17 -5.168 0.892 12.437 148 HB3 LEU 17 HB3 LEU 17 -4.782 -0.640 13.199 149 HG LEU 17 HG LEU 17 -6.456 -0.093 14.989 150 HD11 LEU 17 HD11 LEU 17 -8.075 1.660 14.551 151 HD12 LEU 17 HD12 LEU 17 -7.183 2.131 13.102 152 HD13 LEU 17 HD13 LEU 17 -6.448 2.325 14.696 153 HD21 LEU 17 HD21 LEU 17 -7.510 -0.175 12.170 154 HD22 LEU 17 HD22 LEU 17 -8.421 -0.571 13.628 155 HD23 LEU 17 HD23 LEU 17 -7.046 -1.569 13.149 156 H ILE 18 H ILE 18 -4.607 1.791 16.599 157 HA ILE 18 HA ILE 18 -3.589 -0.644 17.862 158 HB ILE 18 HB ILE 18 -4.646 1.860 19.223 159 HG12 ILE 18 HG12 ILE 18 -1.930 1.748 19.705 160 HG13 ILE 18 HG13 ILE 18 -2.047 1.253 18.020 161 HG21 ILE 18 HG21 ILE 18 -4.743 -0.123 20.639 162 HG22 ILE 18 HG22 ILE 18 -3.497 0.987 21.212 163 HG23 ILE 18 HG23 ILE 18 -3.043 -0.459 20.309 164 HD11 ILE 18 HD11 ILE 18 -1.668 3.643 18.241 165 HD12 ILE 18 HD12 ILE 18 -3.158 3.799 19.174 166 HD13 ILE 18 HD13 ILE 18 -3.223 3.300 17.483 167 H SER 19 H SER 19 -6.490 1.415 17.960 168 HA SER 19 HA SER 19 -8.183 -0.950 18.272 169 HB2 SER 19 HB2 SER 19 -8.256 1.453 20.123 170 HB3 SER 19 HB3 SER 19 -9.455 0.160 20.103 171 HG SER 19 HG SER 19 -7.600 -1.279 20.515 172 H GLN 20 H GLN 20 -10.167 -0.736 17.265 173 HA GLN 20 HA GLN 20 -10.677 1.866 15.996 174 HB2 GLN 20 HB2 GLN 20 -10.295 -0.042 14.442 175 HB3 GLN 20 HB3 GLN 20 -11.701 -0.843 15.127 176 HG2 GLN 20 HG2 GLN 20 -13.130 0.979 14.359 177 HG3 GLN 20 HG3 GLN 20 -11.726 1.814 13.703 178 HE21 GLN 20 HE21 GLN 20 -10.731 1.009 11.855 179 HE22 GLN 20 HE22 GLN 20 -11.527 -0.106 10.803 180 H GLY 21 H GLY 21 -12.217 3.013 16.916 181 HA2 GLY 21 HA2 GLY 21 -14.321 1.652 18.444 182 HA3 GLY 21 HA3 GLY 21 -13.865 3.341 18.602 183 H LYS 22 H LYS 22 -16.032 3.945 18.441 184 HA LYS 22 HA LYS 22 -17.375 3.512 15.869 185 HB2 LYS 22 HB2 LYS 22 -18.354 4.809 18.421 186 HB3 LYS 22 HB3 LYS 22 -19.318 4.621 16.963 187 HG2 LYS 22 HG2 LYS 22 -19.170 2.204 17.161 188 HG3 LYS 22 HG3 LYS 22 -18.166 2.379 18.602 189 HD2 LYS 22 HD2 LYS 22 -20.008 3.531 19.735 190 HD3 LYS 22 HD3 LYS 22 -21.014 3.331 18.300 191 HE2 LYS 22 HE2 LYS 22 -21.560 1.624 19.928 192 HE3 LYS 22 HE3 LYS 22 -20.792 0.881 18.525 193 HZ1 LYS 22 HZ1 LYS 22 -19.517 1.470 21.139 194 HZ2 LYS 22 HZ2 LYS 22 -18.691 0.892 19.780 195 HZ3 LYS 22 HZ3 LYS 22 -19.885 -0.060 20.508 196 H ASN 23 H ASN 23 -17.641 5.057 14.402 197 HA ASN 23 HA ASN 23 -17.465 6.965 13.195 198 HB2 ASN 23 HB2 ASN 23 -18.449 8.120 15.251 199 HB3 ASN 23 HB3 ASN 23 -16.802 8.544 15.680 200 HD21 ASN 23 HD21 ASN 23 -19.399 9.085 13.445 201 HD22 ASN 23 HD22 ASN 23 -18.734 10.507 12.712 202 H MET 24 H MET 24 -15.067 7.022 15.758 203 HA MET 24 HA MET 24 -12.943 7.508 13.795 204 HB2 MET 24 HB2 MET 24 -11.796 8.600 15.863 205 HB3 MET 24 HB3 MET 24 -12.970 9.519 14.934 206 HG2 MET 24 HG2 MET 24 -14.568 9.406 16.582 207 HG3 MET 24 HG3 MET 24 -13.873 7.965 17.317 208 HE1 MET 24 HE1 MET 24 -12.131 7.908 19.050 209 HE2 MET 24 HE2 MET 24 -10.990 9.205 19.411 210 HE3 MET 24 HE3 MET 24 -10.972 8.429 17.825 211 H LEU 25 H LEU 25 -10.947 6.554 14.275 212 HA LEU 25 HA LEU 25 -10.991 4.615 16.459 213 HB2 LEU 25 HB2 LEU 25 -9.108 3.439 15.121 214 HB3 LEU 25 HB3 LEU 25 -10.779 3.118 14.768 215 HG LEU 25 HG LEU 25 -9.222 3.198 12.815 216 HD11 LEU 25 HD11 LEU 25 -11.563 5.055 12.803 217 HD12 LEU 25 HD12 LEU 25 -11.557 3.317 12.496 218 HD13 LEU 25 HD13 LEU 25 -10.763 4.414 11.364 219 HD21 LEU 25 HD21 LEU 25 -7.829 5.073 13.404 220 HD22 LEU 25 HD22 LEU 25 -9.213 6.163 13.304 221 HD23 LEU 25 HD23 LEU 25 -8.621 5.351 11.853 222 H ILE 26 H ILE 26 -8.407 3.940 16.644 223 HA ILE 26 HA ILE 26 -7.152 6.451 17.488 224 HB ILE 26 HB ILE 26 -7.295 3.802 18.941 225 HG12 ILE 26 HG12 ILE 26 -9.275 5.192 19.275 226 HG13 ILE 26 HG13 ILE 26 -8.349 5.081 20.766 227 HG21 ILE 26 HG21 ILE 26 -5.667 6.232 19.703 228 HG22 ILE 26 HG22 ILE 26 -5.035 4.671 19.178 229 HG23 ILE 26 HG23 ILE 26 -5.897 4.803 20.712 230 HD11 ILE 26 HD11 ILE 26 -9.205 7.329 20.431 231 HD12 ILE 26 HD12 ILE 26 -8.390 7.428 18.871 232 HD13 ILE 26 HD13 ILE 26 -7.443 7.326 20.355 233 H VAL 27 H VAL 27 -5.538 6.699 16.138 234 HA VAL 27 HA VAL 27 -3.851 4.373 15.501 235 HB VAL 27 HB VAL 27 -3.184 5.648 13.412 236 HG11 VAL 27 HG11 VAL 27 -6.047 4.738 13.638 237 HG12 VAL 27 HG12 VAL 27 -4.646 3.717 13.310 238 HG13 VAL 27 HG13 VAL 27 -5.148 4.932 12.133 239 HG21 VAL 27 HG21 VAL 27 -4.753 7.306 12.539 240 HG22 VAL 27 HG22 VAL 27 -4.022 7.852 14.049 241 HG23 VAL 27 HG23 VAL 27 -5.674 7.232 14.041 242 H GLU 28 H GLU 28 -1.555 4.805 15.307 243 HA GLU 28 HA GLU 28 -0.759 7.340 16.550 244 HB2 GLU 28 HB2 GLU 28 1.253 6.190 17.404 245 HB3 GLU 28 HB3 GLU 28 -0.229 5.498 18.046 246 HG2 GLU 28 HG2 GLU 28 -0.057 3.638 16.496 247 HG3 GLU 28 HG3 GLU 28 1.392 4.345 15.786 248 H THR 29 H THR 29 0.582 8.587 15.483 249 HA THR 29 HA THR 29 1.329 8.292 12.862 250 HB THR 29 HB THR 29 3.153 9.815 14.684 251 HG1 THR 29 HG1 THR 29 0.922 11.228 14.005 252 HG21 THR 29 HG21 THR 29 2.996 11.470 12.886 253 HG22 THR 29 HG22 THR 29 1.819 10.459 12.047 254 HG23 THR 29 HG23 THR 29 3.477 9.894 12.250 255 H VAL 30 H VAL 30 2.603 7.072 11.869 256 HA VAL 30 HA VAL 30 4.384 5.249 13.092 257 HB VAL 30 HB VAL 30 3.126 4.713 11.072 258 HG11 VAL 30 HG11 VAL 30 3.181 6.796 9.896 259 HG12 VAL 30 HG12 VAL 30 3.842 5.524 8.868 260 HG13 VAL 30 HG13 VAL 30 4.925 6.665 9.667 261 HG21 VAL 30 HG21 VAL 30 6.102 4.524 10.690 262 HG22 VAL 30 HG22 VAL 30 4.898 3.582 9.808 263 HG23 VAL 30 HG23 VAL 30 5.070 3.383 11.552 264 H ASP 31 H ASP 31 4.912 8.417 11.780 265 HA ASP 31 HA ASP 31 7.798 8.150 12.270 266 HB2 ASP 31 HB2 ASP 31 8.275 9.498 10.296 267 HB3 ASP 31 HB3 ASP 31 7.383 8.053 9.842 268 H ALA 32 H ALA 32 8.866 10.320 12.303 269 HA ALA 32 HA ALA 32 9.242 12.413 12.976 270 HB1 ALA 32 HB1 ALA 32 7.699 14.152 12.363 271 HB2 ALA 32 HB2 ALA 32 6.390 12.978 12.204 272 HB3 ALA 32 HB3 ALA 32 7.757 12.932 11.091 273 H ALA 33 H ALA 33 5.873 12.677 13.981 274 HA ALA 33 HA ALA 33 6.736 13.591 16.580 275 HB1 ALA 33 HB1 ALA 33 4.973 14.768 15.381 276 HB2 ALA 33 HB2 ALA 33 4.375 14.122 16.912 277 HB3 ALA 33 HB3 ALA 33 3.984 13.307 15.396 278 H LYS 34 H LYS 34 4.652 11.032 15.272 279 HA LYS 34 HA LYS 34 3.925 9.046 16.017 280 HB2 LYS 34 HB2 LYS 34 6.302 9.204 17.885 281 HB3 LYS 34 HB3 LYS 34 5.298 7.773 17.670 282 HG2 LYS 34 HG2 LYS 34 5.967 7.545 15.402 283 HG3 LYS 34 HG3 LYS 34 6.750 9.125 15.410 284 HD2 LYS 34 HD2 LYS 34 8.390 8.291 17.032 285 HD3 LYS 34 HD3 LYS 34 7.611 6.706 16.991 286 HE2 LYS 34 HE2 LYS 34 8.192 6.380 14.717 287 HE3 LYS 34 HE3 LYS 34 8.688 8.062 14.532 288 HZ1 LYS 34 HZ1 LYS 34 10.037 6.149 16.349 289 HZ2 LYS 34 HZ2 LYS 34 10.568 7.693 15.891 290 HZ3 LYS 34 HZ3 LYS 34 10.536 6.436 14.755 291 H LYS 35 H LYS 35 2.091 10.313 16.626 292 HA LYS 35 HA LYS 35 1.631 10.405 19.529 293 HB2 LYS 35 HB2 LYS 35 0.185 12.408 19.106 294 HB3 LYS 35 HB3 LYS 35 1.883 12.696 18.788 295 HG2 LYS 35 HG2 LYS 35 1.516 12.510 16.410 296 HG3 LYS 35 HG3 LYS 35 -0.175 12.095 16.680 297 HD2 LYS 35 HD2 LYS 35 1.080 14.694 17.537 298 HD3 LYS 35 HD3 LYS 35 0.227 14.470 16.009 299 HE2 LYS 35 HE2 LYS 35 -1.800 13.841 17.242 300 HE3 LYS 35 HE3 LYS 35 -0.939 14.069 18.765 301 HZ1 LYS 35 HZ1 LYS 35 -1.535 16.158 16.747 302 HZ2 LYS 35 HZ2 LYS 35 -0.605 16.397 18.143 303 HZ3 LYS 35 HZ3 LYS 35 -2.246 15.994 18.279 304 H ARG 36 H ARG 36 -0.696 10.274 20.098 305 HA ARG 36 HA ARG 36 -2.011 8.364 18.334 306 HB2 ARG 36 HB2 ARG 36 -2.671 9.200 21.166 307 HB3 ARG 36 HB3 ARG 36 -3.660 8.097 20.223 308 HG2 ARG 36 HG2 ARG 36 -2.379 6.665 21.514 309 HG3 ARG 36 HG3 ARG 36 -1.492 6.707 19.991 310 HD2 ARG 36 HD2 ARG 36 -0.041 8.485 20.982 311 HD3 ARG 36 HD3 ARG 36 -0.849 8.215 22.522 312 HE ARG 36 HE ARG 36 0.201 5.789 21.493 313 HH11 ARG 36 HH11 ARG 36 1.145 8.768 23.086 314 HH12 ARG 36 HH12 ARG 36 2.603 8.099 23.749 315 HH21 ARG 36 HH21 ARG 36 2.102 4.913 22.374 316 HH22 ARG 36 HH22 ARG 36 3.139 5.898 23.360 317 H VAL 37 H VAL 37 -3.183 9.117 16.813 318 HA VAL 37 HA VAL 37 -4.463 11.741 17.068 319 HB VAL 37 HB VAL 37 -4.146 10.242 14.472 320 HG11 VAL 37 HG11 VAL 37 -4.120 12.469 13.502 321 HG12 VAL 37 HG12 VAL 37 -4.199 13.180 15.114 322 HG13 VAL 37 HG13 VAL 37 -5.557 12.232 14.501 323 HG21 VAL 37 HG21 VAL 37 -1.905 10.270 15.446 324 HG22 VAL 37 HG22 VAL 37 -2.027 12.014 15.687 325 HG23 VAL 37 HG23 VAL 37 -2.009 11.347 14.053 326 HA PRO 38 HA PRO 38 -8.430 9.516 16.848 327 HB2 PRO 38 HB2 PRO 38 -9.603 12.198 16.784 328 HB3 PRO 38 HB3 PRO 38 -9.798 10.926 17.994 329 HG2 PRO 38 HG2 PRO 38 -8.429 13.190 18.513 330 HG3 PRO 38 HG3 PRO 38 -7.978 11.630 19.223 331 HD2 PRO 38 HD2 PRO 38 -6.781 13.055 16.869 332 HD3 PRO 38 HD3 PRO 38 -5.967 12.229 18.219 333 H ALA 39 H ALA 39 -8.523 8.727 14.792 334 HA ALA 39 HA ALA 39 -8.737 10.636 12.569 335 HB1 ALA 39 HB1 ALA 39 -7.947 7.727 12.490 336 HB2 ALA 39 HB2 ALA 39 -6.836 9.095 12.437 337 HB3 ALA 39 HB3 ALA 39 -7.978 8.836 11.118 338 H TYR 40 H TYR 40 -10.599 10.875 11.660 339 HA TYR 40 HA TYR 40 -12.802 9.168 12.481 340 HB2 TYR 40 HB2 TYR 40 -12.876 11.726 10.850 341 HB3 TYR 40 HB3 TYR 40 -14.241 10.934 11.634 342 HD1 TYR 40 HD1 TYR 40 -14.363 10.884 14.121 343 HD2 TYR 40 HD2 TYR 40 -11.450 13.204 12.074 344 HE1 TYR 40 HE1 TYR 40 -13.939 12.161 16.181 345 HE2 TYR 40 HE2 TYR 40 -11.013 14.481 14.127 346 HH TYR 40 HH TYR 40 -12.159 15.062 16.219 347 H ALA 41 H ALA 41 -14.202 8.145 11.016 348 HA ALA 41 HA ALA 41 -12.791 7.006 8.784 349 HB1 ALA 41 HB1 ALA 41 -14.635 5.453 8.647 350 HB2 ALA 41 HB2 ALA 41 -15.585 6.446 9.752 351 HB3 ALA 41 HB3 ALA 41 -14.119 5.648 10.322 352 H HIS 42 H HIS 42 -14.120 9.841 8.774 353 HA HIS 42 HA HIS 42 -15.503 9.639 6.195 354 HB2 HIS 42 HB2 HIS 42 -15.109 11.967 8.085 355 HB3 HIS 42 HB3 HIS 42 -15.918 12.086 6.531 356 HD1 HIS 42 HD1 HIS 42 -18.287 11.080 6.347 357 HD2 HIS 42 HD2 HIS 42 -16.607 10.830 10.141 358 HE1 HIS 42 HE1 HIS 42 -20.183 10.494 7.888 359 HE2 HIS 42 HE2 HIS 42 -19.178 10.548 10.190 360 H ASP 43 H ASP 43 -12.443 9.884 7.360 361 HA ASP 43 HA ASP 43 -11.460 11.745 5.312 362 HB2 ASP 43 HB2 ASP 43 -10.197 10.643 7.824 363 HB3 ASP 43 HB3 ASP 43 -9.310 11.590 6.635 364 H LYS 44 H LYS 44 -12.308 9.101 4.580 365 HA LYS 44 HA LYS 44 -11.726 7.222 3.467 366 HB2 LYS 44 HB2 LYS 44 -9.246 8.828 2.814 367 HB3 LYS 44 HB3 LYS 44 -9.617 7.266 2.106 368 HG2 LYS 44 HG2 LYS 44 -11.634 8.181 1.101 369 HG3 LYS 44 HG3 LYS 44 -11.294 9.755 1.830 370 HD2 LYS 44 HD2 LYS 44 -9.234 9.930 0.568 371 HD3 LYS 44 HD3 LYS 44 -9.463 8.307 -0.081 372 HE2 LYS 44 HE2 LYS 44 -11.354 10.609 -0.557 373 HE3 LYS 44 HE3 LYS 44 -10.067 10.138 -1.666 374 HZ1 LYS 44 HZ1 LYS 44 -12.136 9.179 -2.370 375 HZ2 LYS 44 HZ2 LYS 44 -12.394 8.479 -0.850 376 HZ3 LYS 44 HZ3 LYS 44 -11.120 7.936 -1.827 377 H VAL 45 H VAL 45 -11.652 6.212 5.615 378 HA VAL 45 HA VAL 45 -8.958 5.492 6.494 379 HB VAL 45 HB VAL 45 -11.634 5.059 7.850 380 HG11 VAL 45 HG11 VAL 45 -10.131 3.190 8.354 381 HG12 VAL 45 HG12 VAL 45 -10.373 4.215 9.768 382 HG13 VAL 45 HG13 VAL 45 -8.876 4.327 8.842 383 HG21 VAL 45 HG21 VAL 45 -10.827 7.349 7.924 384 HG22 VAL 45 HG22 VAL 45 -9.270 6.799 8.540 385 HG23 VAL 45 HG23 VAL 45 -10.725 6.608 9.520 386 H ILE 46 H ILE 46 -8.148 3.988 5.397 387 HA ILE 46 HA ILE 46 -9.724 1.624 4.579 388 HB ILE 46 HB ILE 46 -7.175 2.647 3.290 389 HG12 ILE 46 HG12 ILE 46 -8.843 4.418 3.018 390 HG13 ILE 46 HG13 ILE 46 -8.474 3.661 1.478 391 HG21 ILE 46 HG21 ILE 46 -9.265 0.748 2.242 392 HG22 ILE 46 HG22 ILE 46 -7.653 0.326 2.827 393 HG23 ILE 46 HG23 ILE 46 -7.834 1.293 1.364 394 HD11 ILE 46 HD11 ILE 46 -10.934 3.194 3.150 395 HD12 ILE 46 HD12 ILE 46 -10.575 2.402 1.616 396 HD13 ILE 46 HD13 ILE 46 -10.836 4.145 1.667 397 H SER 47 H SER 47 -8.664 -0.437 5.054 398 HA SER 47 HA SER 47 -6.176 -0.226 6.592 399 HB2 SER 47 HB2 SER 47 -6.419 -2.720 6.886 400 HB3 SER 47 HB3 SER 47 -7.761 -1.790 7.540 401 HG SER 47 HG SER 47 -8.744 -2.253 5.360 402 H LEU 48 H LEU 48 -4.192 -1.133 5.816 403 HA LEU 48 HA LEU 48 -3.809 -0.779 3.019 404 HB2 LEU 48 HB2 LEU 48 -2.093 -0.278 4.726 405 HB3 LEU 48 HB3 LEU 48 -1.919 -1.994 5.033 406 HG LEU 48 HG LEU 48 -1.244 -2.231 2.592 407 HD11 LEU 48 HD11 LEU 48 -2.106 -0.106 1.788 408 HD12 LEU 48 HD12 LEU 48 -0.369 -0.226 1.510 409 HD13 LEU 48 HD13 LEU 48 -0.982 0.760 2.837 410 HD21 LEU 48 HD21 LEU 48 0.341 -2.348 4.430 411 HD22 LEU 48 HD22 LEU 48 0.497 -0.591 4.414 412 HD23 LEU 48 HD23 LEU 48 1.044 -1.538 3.029 413 H ALA 49 H ALA 49 -4.358 -3.597 4.980 414 HA ALA 49 HA ALA 49 -3.442 -5.489 3.060 415 HB1 ALA 49 HB1 ALA 49 -4.374 -7.164 4.551 416 HB2 ALA 49 HB2 ALA 49 -5.202 -5.902 5.461 417 HB3 ALA 49 HB3 ALA 49 -3.439 -5.966 5.448 418 H ASP 50 H ASP 50 -6.198 -3.571 3.208 419 HA ASP 50 HA ASP 50 -8.146 -5.458 2.219 420 HB2 ASP 50 HB2 ASP 50 -8.850 -3.701 3.738 421 HB3 ASP 50 HB3 ASP 50 -8.262 -2.464 2.638 422 H ILE 51 H ILE 51 -6.052 -2.982 0.849 423 HA ILE 51 HA ILE 51 -7.315 -2.868 -1.709 424 HB ILE 51 HB ILE 51 -4.411 -2.195 -1.084 425 HG12 ILE 51 HG12 ILE 51 -5.705 0.213 -1.332 426 HG13 ILE 51 HG13 ILE 51 -6.902 -0.748 -0.472 427 HG21 ILE 51 HG21 ILE 51 -6.196 -1.267 -3.333 428 HG22 ILE 51 HG22 ILE 51 -4.856 -2.404 -3.473 429 HG23 ILE 51 HG23 ILE 51 -4.546 -0.722 -3.039 430 HD11 ILE 51 HD11 ILE 51 -5.487 0.515 1.048 431 HD12 ILE 51 HD12 ILE 51 -4.058 -0.292 0.402 432 HD13 ILE 51 HD13 ILE 51 -5.280 -1.222 1.271 433 H ALA 52 H ALA 52 -6.501 -3.837 -3.704 434 HA ALA 52 HA ALA 52 -4.985 -6.260 -3.436 435 HB1 ALA 52 HB1 ALA 52 -7.180 -7.022 -2.649 436 HB2 ALA 52 HB2 ALA 52 -6.751 -7.768 -4.191 437 HB3 ALA 52 HB3 ALA 52 -7.916 -6.442 -4.144 438 H MET 53 H MET 53 -5.145 -7.474 -5.598 439 HA MET 53 HA MET 53 -5.271 -5.703 -7.906 440 HB2 MET 53 HB2 MET 53 -2.710 -7.108 -7.074 441 HB3 MET 53 HB3 MET 53 -2.974 -6.358 -8.638 442 HG2 MET 53 HG2 MET 53 -3.019 -4.895 -6.025 443 HG3 MET 53 HG3 MET 53 -1.620 -5.014 -7.092 444 HE1 MET 53 HE1 MET 53 -2.931 -2.354 -5.996 445 HE2 MET 53 HE2 MET 53 -2.886 -1.325 -7.428 446 HE3 MET 53 HE3 MET 53 -1.507 -2.354 -7.035 447 H TYR 54 H TYR 54 -5.942 -6.845 -9.652 448 HA TYR 54 HA TYR 54 -5.834 -9.777 -9.437 449 HB2 TYR 54 HB2 TYR 54 -7.769 -8.169 -11.109 450 HB3 TYR 54 HB3 TYR 54 -7.785 -9.910 -10.855 451 HD1 TYR 54 HD2 TYR 54 -8.218 -10.753 -8.466 452 HD2 TYR 54 HD1 TYR 54 -8.954 -6.747 -9.696 453 HE1 TYR 54 HE2 TYR 54 -9.727 -10.446 -6.546 454 HE2 TYR 54 HE1 TYR 54 -10.459 -6.428 -7.782 455 HH TYR 54 HH TYR 54 -10.609 -8.574 -5.178 456 H THR 55 H THR 55 -4.666 -10.814 -10.810 457 HA THR 55 HA THR 55 -3.767 -9.564 -13.297 458 HB THR 55 HB THR 55 -2.058 -8.950 -11.737 459 HG1 THR 55 HG1 THR 55 -0.251 -9.926 -12.564 460 HG21 THR 55 HG21 THR 55 -0.897 -10.507 -10.254 461 HG22 THR 55 HG22 THR 55 -1.991 -11.791 -10.770 462 HG23 THR 55 HG23 THR 55 -2.625 -10.398 -9.897 463 H ASP 56 H ASP 56 -1.899 -11.830 -13.850 464 HA ASP 56 HA ASP 56 -3.874 -13.902 -14.496 465 HB2 ASP 56 HB2 ASP 56 -2.029 -12.857 -16.080 466 HB3 ASP 56 HB3 ASP 56 -0.987 -14.043 -15.301 467 H ALA 57 H ALA 57 -2.595 -13.222 -11.900 468 HA ALA 57 HA ALA 57 -1.652 -15.850 -11.015 469 HB1 ALA 57 HB1 ALA 57 -0.671 -14.642 -9.085 470 HB2 ALA 57 HB2 ALA 57 -1.204 -13.114 -9.790 471 HB3 ALA 57 HB3 ALA 57 0.004 -14.098 -10.620 472 H GLU 58 H GLU 58 -2.453 -14.489 -8.203 473 HA GLU 58 HA GLU 58 -5.151 -15.620 -8.439 474 HB2 GLU 58 HB2 GLU 58 -3.302 -15.607 -6.035 475 HB3 GLU 58 HB3 GLU 58 -4.952 -16.219 -6.038 476 HG2 GLU 58 HG2 GLU 58 -4.284 -17.878 -7.740 477 HG3 GLU 58 HG3 GLU 58 -2.624 -17.305 -7.600 478 H GLU 59 H GLU 59 -5.848 -14.553 -5.750 479 HA GLU 59 HA GLU 59 -6.145 -11.779 -6.506 480 HB2 GLU 59 HB2 GLU 59 -7.578 -11.624 -4.436 481 HB3 GLU 59 HB3 GLU 59 -8.175 -12.703 -5.683 482 HG2 GLU 59 HG2 GLU 59 -7.495 -14.627 -4.435 483 HG3 GLU 59 HG3 GLU 59 -6.666 -13.621 -3.248 484 H VAL 60 H VAL 60 -4.411 -10.645 -6.186 485 HA VAL 60 HA VAL 60 -2.567 -11.351 -4.056 486 HB VAL 60 HB VAL 60 -2.277 -9.349 -6.329 487 HG11 VAL 60 HG11 VAL 60 -0.214 -10.397 -4.407 488 HG12 VAL 60 HG12 VAL 60 -0.874 -8.761 -4.420 489 HG13 VAL 60 HG13 VAL 60 0.095 -9.334 -5.779 490 HG21 VAL 60 HG21 VAL 60 -2.354 -11.660 -7.109 491 HG22 VAL 60 HG22 VAL 60 -1.071 -12.078 -5.968 492 HG23 VAL 60 HG23 VAL 60 -0.742 -10.963 -7.292 493 HA PRO 61 HA PRO 61 -4.081 -7.869 -1.551 494 HB2 PRO 61 HB2 PRO 61 -1.783 -8.544 0.139 495 HB3 PRO 61 HB3 PRO 61 -3.499 -8.512 0.552 496 HG2 PRO 61 HG2 PRO 61 -2.090 -10.814 0.336 497 HG3 PRO 61 HG3 PRO 61 -3.819 -10.706 -0.041 498 HD2 PRO 61 HD2 PRO 61 -1.471 -10.804 -1.876 499 HD3 PRO 61 HD3 PRO 61 -3.080 -11.533 -2.059 500 H LEU 62 H LEU 62 -3.157 -5.795 -1.067 501 HA LEU 62 HA LEU 62 -1.270 -4.911 -2.952 502 HB2 LEU 62 HB2 LEU 62 -3.018 -3.482 -1.787 503 HB3 LEU 62 HB3 LEU 62 -1.923 -3.417 -0.418 504 HG LEU 62 HG LEU 62 -0.190 -2.422 -1.906 505 HD11 LEU 62 HD11 LEU 62 -2.442 -2.339 -3.900 506 HD12 LEU 62 HD12 LEU 62 -0.994 -3.340 -4.006 507 HD13 LEU 62 HD13 LEU 62 -0.860 -1.583 -4.090 508 HD21 LEU 62 HD21 LEU 62 -2.807 -0.943 -1.796 509 HD22 LEU 62 HD22 LEU 62 -1.234 -0.219 -2.131 510 HD23 LEU 62 HD23 LEU 62 -1.552 -0.953 -0.555 511 H SER 63 H SER 63 -0.924 -6.037 0.316 512 HA SER 63 HA SER 63 1.619 -5.209 0.994 513 HB2 SER 63 HB2 SER 63 0.283 -7.848 1.608 514 HB3 SER 63 HB3 SER 63 1.586 -7.096 2.529 515 HG SER 63 HG SER 63 0.020 -6.206 3.605 516 H GLU 64 H GLU 64 0.661 -8.061 -0.960 517 HA GLU 64 HA GLU 64 3.314 -9.090 -1.125 518 HB2 GLU 64 HB2 GLU 64 0.911 -9.608 -2.891 519 HB3 GLU 64 HB3 GLU 64 2.412 -10.515 -2.963 520 HG2 GLU 64 HG2 GLU 64 0.576 -10.359 -0.590 521 HG3 GLU 64 HG3 GLU 64 0.651 -11.687 -1.747 522 H VAL 65 H VAL 65 1.320 -7.151 -3.325 523 HA VAL 65 HA VAL 65 3.093 -6.555 -5.356 524 HB VAL 65 HB VAL 65 1.082 -4.754 -3.997 525 HG11 VAL 65 HG11 VAL 65 1.076 -3.419 -6.042 526 HG12 VAL 65 HG12 VAL 65 2.394 -4.399 -6.688 527 HG13 VAL 65 HG13 VAL 65 2.658 -3.394 -5.263 528 HG21 VAL 65 HG21 VAL 65 -0.355 -5.375 -5.877 529 HG22 VAL 65 HG22 VAL 65 0.128 -6.776 -4.919 530 HG23 VAL 65 HG23 VAL 65 0.903 -6.458 -6.471 531 H LEU 66 H LEU 66 2.794 -4.761 -2.260 532 HA LEU 66 HA LEU 66 4.813 -2.846 -2.661 533 HB2 LEU 66 HB2 LEU 66 3.972 -4.068 -0.024 534 HB3 LEU 66 HB3 LEU 66 4.801 -2.545 -0.240 535 HG LEU 66 HG LEU 66 2.060 -2.975 -1.389 536 HD11 LEU 66 HD11 LEU 66 1.933 -3.547 0.965 537 HD12 LEU 66 HD12 LEU 66 1.154 -1.995 0.654 538 HD13 LEU 66 HD13 LEU 66 2.759 -2.046 1.387 539 HD21 LEU 66 HD21 LEU 66 3.331 -1.019 -2.121 540 HD22 LEU 66 HD22 LEU 66 3.530 -0.525 -0.440 541 HD23 LEU 66 HD23 LEU 66 1.920 -0.570 -1.164 542 H GLU 67 H GLU 67 4.935 -6.126 -1.522 543 HA GLU 67 HA GLU 67 7.586 -6.042 -0.497 544 HB2 GLU 67 HB2 GLU 67 5.811 -7.627 0.278 545 HB3 GLU 67 HB3 GLU 67 5.929 -8.461 -1.263 546 HG2 GLU 67 HG2 GLU 67 7.173 -9.590 0.534 547 HG3 GLU 67 HG3 GLU 67 8.214 -9.083 -0.796 548 H ALA 68 H ALA 68 6.111 -7.078 -3.522 549 HA ALA 68 HA ALA 68 8.232 -8.649 -4.471 550 HB1 ALA 68 HB1 ALA 68 6.085 -7.266 -6.063 551 HB2 ALA 68 HB2 ALA 68 5.929 -8.833 -5.270 552 HB3 ALA 68 HB3 ALA 68 7.074 -8.625 -6.597 553 H VAL 69 H VAL 69 7.346 -5.306 -5.334 554 HA VAL 69 HA VAL 69 9.462 -4.940 -7.193 555 HB VAL 69 HB VAL 69 8.916 -2.448 -6.903 556 HG11 VAL 69 HG11 VAL 69 7.976 -3.769 -8.711 557 HG12 VAL 69 HG12 VAL 69 6.785 -2.629 -8.084 558 HG13 VAL 69 HG13 VAL 69 6.691 -4.333 -7.643 559 HG21 VAL 69 HG21 VAL 69 6.827 -1.938 -5.755 560 HG22 VAL 69 HG22 VAL 69 8.001 -2.625 -4.629 561 HG23 VAL 69 HG23 VAL 69 6.683 -3.623 -5.252 562 H LYS 70 H LYS 70 9.191 -4.239 -3.750 563 HA LYS 70 HA LYS 70 11.625 -2.800 -3.465 564 HB2 LYS 70 HB2 LYS 70 9.889 -2.568 -1.822 565 HB3 LYS 70 HB3 LYS 70 9.877 -4.300 -1.507 566 HG2 LYS 70 HG2 LYS 70 12.157 -4.112 -0.575 567 HG3 LYS 70 HG3 LYS 70 12.092 -2.370 -0.821 568 HD2 LYS 70 HD2 LYS 70 11.585 -2.755 1.458 569 HD3 LYS 70 HD3 LYS 70 10.065 -2.345 0.671 570 HE2 LYS 70 HE2 LYS 70 10.881 -5.206 1.024 571 HE3 LYS 70 HE3 LYS 70 10.133 -4.317 2.350 572 HZ1 LYS 70 HZ1 LYS 70 8.226 -3.888 0.939 573 HZ2 LYS 70 HZ2 LYS 70 8.506 -5.552 1.070 574 HZ3 LYS 70 HZ3 LYS 70 8.951 -4.723 -0.342 575 H LYS 71 H LYS 71 10.754 -6.195 -3.265 576 HA LYS 71 HA LYS 71 13.144 -7.227 -2.188 577 HB2 LYS 71 HB2 LYS 71 10.671 -8.222 -2.695 578 HB3 LYS 71 HB3 LYS 71 11.589 -8.966 -3.996 579 HG2 LYS 71 HG2 LYS 71 11.467 -10.424 -2.056 580 HG3 LYS 71 HG3 LYS 71 13.134 -9.922 -2.365 581 HD2 LYS 71 HD2 LYS 71 13.095 -8.366 -0.592 582 HD3 LYS 71 HD3 LYS 71 11.344 -8.490 -0.423 583 HE2 LYS 71 HE2 LYS 71 11.637 -10.848 0.287 584 HE3 LYS 71 HE3 LYS 71 13.386 -10.606 0.237 585 HZ1 LYS 71 HZ1 LYS 71 12.490 -10.318 2.471 586 HZ2 LYS 71 HZ2 LYS 71 11.488 -9.064 1.916 587 HZ3 LYS 71 HZ3 LYS 71 13.171 -8.879 1.888 588 H LYS 72 H LYS 72 12.315 -6.263 -5.418 589 HA LYS 72 HA LYS 72 14.087 -7.850 -6.907 590 HB2 LYS 72 HB2 LYS 72 12.222 -6.394 -7.796 591 HB3 LYS 72 HB3 LYS 72 13.288 -5.014 -7.568 592 HG2 LYS 72 HG2 LYS 72 13.367 -5.701 -9.867 593 HG3 LYS 72 HG3 LYS 72 14.918 -6.062 -9.103 594 HD2 LYS 72 HD2 LYS 72 14.169 -8.405 -8.790 595 HD3 LYS 72 HD3 LYS 72 12.685 -8.013 -9.658 596 HE2 LYS 72 HE2 LYS 72 15.477 -7.808 -10.780 597 HE3 LYS 72 HE3 LYS 72 14.338 -9.115 -11.103 598 HZ1 LYS 72 HZ1 LYS 72 12.838 -7.491 -12.104 599 HZ2 LYS 72 HZ2 LYS 72 14.341 -7.513 -12.886 600 HZ3 LYS 72 HZ3 LYS 72 13.964 -6.253 -11.816 601 H GLU 73 H GLU 73 14.593 -4.676 -5.384 602 HA GLU 73 HA GLU 73 17.457 -4.899 -6.002 603 HB2 GLU 73 HB2 GLU 73 16.012 -2.841 -6.653 604 HB3 GLU 73 HB3 GLU 73 16.127 -2.419 -4.950 605 HG2 GLU 73 HG2 GLU 73 18.518 -2.285 -5.080 606 HG3 GLU 73 HG3 GLU 73 18.499 -2.888 -6.736 607 H ASN 74 H ASN 74 15.464 -5.821 -3.680 608 HA ASN 74 HA ASN 74 15.580 -6.418 -1.503 609 HB2 ASN 74 HB2 ASN 74 18.532 -6.181 -2.067 610 HB3 ASN 74 HB3 ASN 74 17.901 -6.755 -0.536 611 HD21 ASN 74 HD21 ASN 74 19.548 -8.035 -2.579 612 HD22 ASN 74 HD22 ASN 74 18.720 -9.495 -2.998 613 H GLY 75 H GLY 75 14.531 -4.150 -1.070 614 HA2 GLY 75 HA2 GLY 75 14.510 -2.988 1.015 615 HA3 GLY 75 HA3 GLY 75 16.268 -2.929 0.956 616 H ALA 76 H ALA 76 14.067 -2.300 -1.697 617 HA ALA 76 HA ALA 76 15.241 0.349 -2.029 618 HB1 ALA 76 HB1 ALA 76 15.238 -1.253 -3.911 619 HB2 ALA 76 HB2 ALA 76 14.371 0.241 -4.281 620 HB3 ALA 76 HB3 ALA 76 13.474 -1.229 -3.895 621 H VAL 77 H VAL 77 14.008 2.229 -2.135 622 HA VAL 77 HA VAL 77 11.503 2.138 -0.652 623 HB VAL 77 HB VAL 77 12.807 4.652 -1.698 624 HG11 VAL 77 HG11 VAL 77 11.757 5.657 0.275 625 HG12 VAL 77 HG12 VAL 77 11.072 4.089 0.701 626 HG13 VAL 77 HG13 VAL 77 10.574 4.894 -0.788 627 HG21 VAL 77 HG21 VAL 77 14.545 3.414 -0.513 628 HG22 VAL 77 HG22 VAL 77 13.478 3.228 0.879 629 HG23 VAL 77 HG23 VAL 77 14.043 4.832 0.409 630 H ALA 78 H ALA 78 12.005 4.544 -3.182 631 HA ALA 78 HA ALA 78 10.152 3.182 -4.977 632 HB1 ALA 78 HB1 ALA 78 8.696 4.490 -3.510 633 HB2 ALA 78 HB2 ALA 78 8.676 5.122 -5.157 634 HB3 ALA 78 HB3 ALA 78 9.602 5.952 -3.906 635 H SER 79 H SER 79 11.516 3.064 -6.652 636 HA SER 79 HA SER 79 13.211 5.349 -7.326 637 HB2 SER 79 HB2 SER 79 13.186 2.521 -8.411 638 HB3 SER 79 HB3 SER 79 14.411 3.741 -8.738 639 HG SER 79 HG SER 79 14.323 3.702 -6.181 640 H ILE 80 H ILE 80 10.576 5.873 -7.844 641 HA ILE 80 HA ILE 80 10.493 5.992 -10.753 642 HB ILE 80 HB ILE 80 9.216 4.040 -10.461 643 HG12 ILE 80 HG12 ILE 80 7.305 6.371 -10.715 644 HG13 ILE 80 HG13 ILE 80 8.199 5.602 -12.017 645 HG21 ILE 80 HG21 ILE 80 8.862 4.097 -8.078 646 HG22 ILE 80 HG22 ILE 80 7.333 3.794 -8.904 647 HG23 ILE 80 HG23 ILE 80 7.680 5.396 -8.252 648 HD11 ILE 80 HD11 ILE 80 6.903 3.554 -11.672 649 HD12 ILE 80 HD12 ILE 80 5.885 4.943 -12.054 650 HD13 ILE 80 HD13 ILE 80 5.996 4.362 -10.392 651 H ASN 81 H ASN 81 8.821 6.940 -7.745 652 HA ASN 81 HA ASN 81 7.771 8.776 -7.001 653 HB2 ASN 81 HB2 ASN 81 9.108 10.234 -9.284 654 HB3 ASN 81 HB3 ASN 81 8.205 11.005 -7.983 655 HD21 ASN 81 HD21 ASN 81 11.129 9.427 -8.904 656 HD22 ASN 81 HD22 ASN 81 12.019 9.760 -7.459 657 H TYR 82 H TYR 82 5.806 10.046 -7.332 658 HA TYR 82 HA TYR 82 4.291 8.590 -9.377 659 HB2 TYR 82 HB2 TYR 82 2.301 8.917 -7.946 660 HB3 TYR 82 HB3 TYR 82 3.584 7.989 -7.191 661 HD1 TYR 82 HD1 TYR 82 4.783 8.876 -5.260 662 HD2 TYR 82 HD2 TYR 82 1.660 11.098 -7.097 663 HE1 TYR 82 HE1 TYR 82 4.651 10.323 -3.282 664 HE2 TYR 82 HE2 TYR 82 1.530 12.556 -5.127 665 HH TYR 82 HH TYR 82 3.897 12.551 -2.677 666 H LYS 83 H LYS 83 5.404 11.701 -9.076 667 HA LYS 83 HA LYS 83 3.043 12.679 -10.546 668 HB2 LYS 83 HB2 LYS 83 4.992 14.328 -8.930 669 HB3 LYS 83 HB3 LYS 83 3.665 14.977 -9.886 670 HG2 LYS 83 HG2 LYS 83 2.275 13.277 -8.395 671 HG3 LYS 83 HG3 LYS 83 3.622 13.550 -7.294 672 HD2 LYS 83 HD2 LYS 83 1.937 15.123 -6.734 673 HD3 LYS 83 HD3 LYS 83 3.212 16.013 -7.571 674 HE2 LYS 83 HE2 LYS 83 1.936 15.985 -9.625 675 HE3 LYS 83 HE3 LYS 83 0.693 14.986 -8.875 676 HZ1 LYS 83 HZ1 LYS 83 0.105 17.346 -9.015 677 HZ2 LYS 83 HZ2 LYS 83 1.408 17.724 -8.001 678 HZ3 LYS 83 HZ3 LYS 83 0.127 16.774 -7.419 679 H LYS 84 H LYS 84 6.498 12.322 -10.613 680 HA LYS 84 HA LYS 84 6.714 13.815 -13.098 681 HB2 LYS 84 HB2 LYS 84 9.108 13.257 -13.028 682 HB3 LYS 84 HB3 LYS 84 8.563 14.017 -11.542 683 HG2 LYS 84 HG2 LYS 84 8.559 11.901 -10.402 684 HG3 LYS 84 HG3 LYS 84 8.949 11.053 -11.899 685 HD2 LYS 84 HD2 LYS 84 10.925 11.309 -10.495 686 HD3 LYS 84 HD3 LYS 84 11.099 12.216 -11.997 687 HE2 LYS 84 HE2 LYS 84 10.513 14.281 -10.833 688 HE3 LYS 84 HE3 LYS 84 10.278 13.384 -9.335 689 HZ1 LYS 84 HZ1 LYS 84 12.594 12.818 -9.315 690 HZ2 LYS 84 HZ2 LYS 84 12.435 14.501 -9.458 691 HZ3 LYS 84 HZ3 LYS 84 12.839 13.569 -10.812 692 H ALA 85 H ALA 85 5.999 10.626 -12.186 693 HA ALA 85 HA ALA 85 6.900 9.562 -14.763 694 HB1 ALA 85 HB1 ALA 85 5.804 8.089 -12.371 695 HB2 ALA 85 HB2 ALA 85 7.508 8.230 -12.810 696 HB3 ALA 85 HB3 ALA 85 6.395 7.354 -13.860 697 H SER 86 H SER 86 5.523 8.801 -16.247 698 HA SER 86 HA SER 86 2.881 9.864 -16.311 699 HB2 SER 86 HB2 SER 86 4.494 9.609 -18.254 700 HB3 SER 86 HB3 SER 86 4.145 7.885 -18.228 701 HG SER 86 HG SER 86 2.662 9.984 -19.196 702 H ALA 87 H ALA 87 1.219 8.178 -17.372 703 HA ALA 87 HA ALA 87 0.530 6.419 -15.165 704 HB1 ALA 87 HB1 ALA 87 -0.950 6.969 -17.733 705 HB2 ALA 87 HB2 ALA 87 -1.203 7.798 -16.195 706 HB3 ALA 87 HB3 ALA 87 -1.577 6.080 -16.345 707 H ASP 88 H ASP 88 1.764 6.217 -18.410 708 HA ASP 88 HA ASP 88 1.471 3.367 -18.694 709 HB2 ASP 88 HB2 ASP 88 3.115 5.354 -20.272 710 HB3 ASP 88 HB3 ASP 88 2.843 3.674 -20.725 711 H GLU 89 H GLU 89 3.980 5.629 -17.710 712 HA GLU 89 HA GLU 89 6.133 3.752 -17.600 713 HB2 GLU 89 HB2 GLU 89 5.885 6.411 -16.182 714 HB3 GLU 89 HB3 GLU 89 7.369 5.509 -16.457 715 HG2 GLU 89 HG2 GLU 89 6.998 5.755 -18.892 716 HG3 GLU 89 HG3 GLU 89 5.626 6.803 -18.535 717 H LEU 90 H LEU 90 3.681 4.810 -15.417 718 HA LEU 90 HA LEU 90 4.541 3.758 -12.971 719 HB2 LEU 90 HB2 LEU 90 2.644 5.279 -13.318 720 HB3 LEU 90 HB3 LEU 90 1.773 3.996 -14.134 721 HG LEU 90 HG LEU 90 1.963 2.692 -11.970 722 HD11 LEU 90 HD11 LEU 90 3.718 4.028 -10.939 723 HD12 LEU 90 HD12 LEU 90 2.261 4.022 -9.946 724 HD13 LEU 90 HD13 LEU 90 2.654 5.434 -10.927 725 HD21 LEU 90 HD21 LEU 90 0.359 5.232 -12.073 726 HD22 LEU 90 HD22 LEU 90 0.024 3.841 -11.042 727 HD23 LEU 90 HD23 LEU 90 -0.085 3.686 -12.795 728 H HIS 91 H HIS 91 2.816 2.301 -15.684 729 HA HIS 91 HA HIS 91 2.447 -0.241 -14.402 730 HB2 HIS 91 HB2 HIS 91 1.855 0.884 -17.115 731 HB3 HIS 91 HB3 HIS 91 1.838 -0.860 -16.891 732 HD1 HIS 91 HD1 HIS 91 -0.564 -1.474 -16.868 733 HD2 HIS 91 HD2 HIS 91 0.171 1.892 -14.536 734 HE1 HIS 91 HE1 HIS 91 -2.742 -0.955 -15.728 735 HE2 HIS 91 HE2 HIS 91 -2.311 1.152 -14.426 736 H ALA 92 H ALA 92 4.913 1.227 -16.374 737 HA ALA 92 HA ALA 92 6.207 -1.203 -17.167 738 HB1 ALA 92 HB1 ALA 92 6.476 0.867 -18.432 739 HB2 ALA 92 HB2 ALA 92 8.032 0.236 -17.891 740 HB3 ALA 92 HB3 ALA 92 7.296 1.604 -17.055 741 H TYR 93 H TYR 93 6.422 0.923 -14.391 742 HA TYR 93 HA TYR 93 8.750 -0.271 -13.225 743 HB2 TYR 93 HB2 TYR 93 7.895 2.025 -12.693 744 HB3 TYR 93 HB3 TYR 93 6.536 1.279 -11.865 745 HD1 TYR 93 HD2 TYR 93 10.227 1.650 -11.792 746 HD2 TYR 93 HD1 TYR 93 6.737 0.563 -9.608 747 HE1 TYR 93 HE2 TYR 93 11.543 1.608 -9.715 748 HE2 TYR 93 HE1 TYR 93 8.045 0.519 -7.526 749 HH TYR 93 HH TYR 93 10.450 0.229 -6.854 750 H PHE 94 H PHE 94 5.377 -0.956 -13.294 751 HA PHE 94 HA PHE 94 5.330 -2.789 -11.064 752 HB2 PHE 94 HB2 PHE 94 3.335 -1.462 -12.060 753 HB3 PHE 94 HB3 PHE 94 3.289 -2.727 -13.285 754 HD1 PHE 94 HD1 PHE 94 2.951 -2.008 -9.711 755 HD2 PHE 94 HD2 PHE 94 2.407 -4.892 -12.785 756 HE1 PHE 94 HE1 PHE 94 1.667 -3.408 -8.167 757 HE2 PHE 94 HE2 PHE 94 1.115 -6.303 -11.234 758 HZ PHE 94 HZ PHE 94 0.757 -5.553 -8.913 759 H ALA 95 H ALA 95 5.964 -2.880 -14.464 760 HA ALA 95 HA ALA 95 5.811 -5.730 -14.770 761 HB1 ALA 95 HB1 ALA 95 5.264 -4.195 -16.597 762 HB2 ALA 95 HB2 ALA 95 6.557 -5.311 -17.040 763 HB3 ALA 95 HB3 ALA 95 6.938 -3.640 -16.623 764 H GLU 96 H GLU 96 8.006 -3.973 -13.113 765 HA GLU 96 HA GLU 96 10.467 -5.063 -14.086 766 HB2 GLU 96 HB2 GLU 96 9.647 -3.154 -12.148 767 HB3 GLU 96 HB3 GLU 96 10.615 -4.357 -11.312 768 HG2 GLU 96 HG2 GLU 96 11.495 -2.906 -13.790 769 HG3 GLU 96 HG3 GLU 96 11.897 -2.409 -12.147 770 H VAL 97 H VAL 97 8.042 -6.022 -11.755 771 HA VAL 97 HA VAL 97 9.583 -8.467 -11.218 772 HB VAL 97 HB VAL 97 8.438 -8.619 -9.020 773 HG11 VAL 97 HG11 VAL 97 10.683 -7.715 -9.166 774 HG12 VAL 97 HG12 VAL 97 9.764 -6.869 -7.920 775 HG13 VAL 97 HG13 VAL 97 10.037 -6.104 -9.487 776 HG21 VAL 97 HG21 VAL 97 6.478 -7.242 -9.514 777 HG22 VAL 97 HG22 VAL 97 7.508 -5.814 -9.636 778 HG23 VAL 97 HG23 VAL 97 7.333 -6.646 -8.089 779 H LEU 98 H LEU 98 6.498 -7.094 -12.081 780 HA LEU 98 HA LEU 98 5.436 -9.812 -12.462 781 HB2 LEU 98 HB2 LEU 98 4.125 -7.295 -11.561 782 HB3 LEU 98 HB3 LEU 98 3.197 -8.334 -12.617 783 HG LEU 98 HG LEU 98 2.515 -8.856 -10.433 784 HD11 LEU 98 HD11 LEU 98 2.836 -10.818 -11.795 785 HD12 LEU 98 HD12 LEU 98 3.184 -11.175 -10.104 786 HD13 LEU 98 HD13 LEU 98 4.508 -10.952 -11.248 787 HD21 LEU 98 HD21 LEU 98 4.298 -7.815 -9.173 788 HD22 LEU 98 HD22 LEU 98 5.408 -9.107 -9.633 789 HD23 LEU 98 HD23 LEU 98 4.016 -9.461 -8.607 790 HA PRO 99 HA PRO 99 5.683 -8.280 -16.790 791 HB2 PRO 99 HB2 PRO 99 5.961 -10.788 -17.852 792 HB3 PRO 99 HB3 PRO 99 7.321 -9.770 -17.370 793 HG2 PRO 99 HG2 PRO 99 6.061 -12.063 -15.939 794 HG3 PRO 99 HG3 PRO 99 7.769 -11.596 -16.036 795 HD2 PRO 99 HD2 PRO 99 6.182 -11.100 -13.870 796 HD3 PRO 99 HD3 PRO 99 7.578 -10.096 -14.315 797 H ASN 100 H ASN 100 3.984 -11.000 -15.295 798 HA ASN 100 HA ASN 100 1.671 -10.517 -16.973 799 HB2 ASN 100 HB2 ASN 100 0.583 -12.353 -15.711 800 HB3 ASN 100 HB3 ASN 100 2.076 -12.856 -16.480 801 HD21 ASN 100 HD21 ASN 100 0.459 -13.843 -14.151 802 HD22 ASN 100 HD22 ASN 100 1.599 -14.010 -12.864 803 H TYR 101 H TYR 101 0.508 -8.858 -16.534 804 HA TYR 101 HA TYR 101 -0.723 -8.563 -13.973 805 HB2 TYR 101 HB2 TYR 101 -0.062 -6.297 -13.481 806 HB3 TYR 101 HB3 TYR 101 1.393 -7.261 -13.660 807 HD1 TYR 101 HD1 TYR 101 2.416 -7.168 -16.169 808 HD2 TYR 101 HD2 TYR 101 -0.095 -4.234 -14.396 809 HE1 TYR 101 HE1 TYR 101 3.291 -5.485 -17.731 810 HE2 TYR 101 HE2 TYR 101 0.764 -2.549 -15.941 811 HH TYR 101 HH TYR 101 2.710 -3.384 -18.672 812 H ASP 102 H ASP 102 -2.314 -6.569 -14.139 813 HA ASP 102 HA ASP 102 -3.506 -6.861 -16.808 814 HB2 ASP 102 HB2 ASP 102 -4.649 -7.679 -14.573 815 HB3 ASP 102 HB3 ASP 102 -5.109 -5.984 -14.441 816 H ARG 103 H ARG 103 -5.003 -4.988 -17.375 817 HA ARG 103 HA ARG 103 -3.625 -2.454 -16.780 818 HB2 ARG 103 HB2 ARG 103 -4.411 -1.743 -19.057 819 HB3 ARG 103 HB3 ARG 103 -3.212 -3.028 -19.045 820 HG2 ARG 103 HG2 ARG 103 -4.976 -4.682 -19.422 821 HG3 ARG 103 HG3 ARG 103 -6.182 -3.392 -19.430 822 HD2 ARG 103 HD2 ARG 103 -5.169 -2.403 -21.376 823 HD3 ARG 103 HD3 ARG 103 -3.856 -3.578 -21.333 824 HE ARG 103 HE ARG 103 -6.055 -5.134 -21.539 825 HH11 ARG 103 HH11 ARG 103 -4.953 -2.361 -23.374 826 HH12 ARG 103 HH12 ARG 103 -5.633 -2.918 -24.867 827 HH21 ARG 103 HH21 ARG 103 -6.951 -5.858 -23.479 828 HH22 ARG 103 HH22 ARG 103 -6.767 -4.917 -24.929 829 H ASP 104 H ASP 104 -6.484 -4.099 -16.334 830 HA ASP 104 HA ASP 104 -7.939 -1.572 -15.896 831 HB2 ASP 104 HB2 ASP 104 -9.031 -4.218 -16.868 832 HB3 ASP 104 HB3 ASP 104 -10.049 -2.907 -16.278 833 H ARG 105 H ARG 105 -7.465 -4.921 -14.881 834 HA ARG 105 HA ARG 105 -8.800 -4.545 -12.357 835 HB2 ARG 105 HB2 ARG 105 -7.038 -6.774 -13.374 836 HB3 ARG 105 HB3 ARG 105 -7.911 -6.808 -11.848 837 HG2 ARG 105 HG2 ARG 105 -10.029 -6.650 -13.049 838 HG3 ARG 105 HG3 ARG 105 -9.160 -6.598 -14.582 839 HD2 ARG 105 HD2 ARG 105 -9.003 -8.866 -12.610 840 HD3 ARG 105 HD3 ARG 105 -10.084 -8.835 -14.001 841 HE ARG 105 HE ARG 105 -7.668 -8.426 -15.127 842 HH11 ARG 105 HH11 ARG 105 -8.780 -10.856 -12.841 843 HH12 ARG 105 HH12 ARG 105 -7.732 -12.091 -13.463 844 HH21 ARG 105 HH21 ARG 105 -6.309 -10.043 -15.933 845 HH22 ARG 105 HH22 ARG 105 -6.334 -11.634 -15.222 846 H VAL 106 H VAL 106 -5.458 -4.517 -13.497 847 HA VAL 106 HA VAL 106 -4.695 -3.177 -11.004 848 HB VAL 106 HB VAL 106 -3.048 -3.777 -13.492 849 HG11 VAL 106 HG11 VAL 106 -2.150 -2.670 -10.835 850 HG12 VAL 106 HG12 VAL 106 -2.251 -1.772 -12.350 851 HG13 VAL 106 HG13 VAL 106 -1.103 -3.101 -12.187 852 HG21 VAL 106 HG21 VAL 106 -1.878 -5.416 -12.093 853 HG22 VAL 106 HG22 VAL 106 -3.590 -5.804 -12.261 854 HG23 VAL 106 HG23 VAL 106 -2.992 -5.076 -10.769 855 H HIS 107 H HIS 107 -5.060 -1.002 -10.897 856 HA HIS 107 HA HIS 107 -6.719 -0.119 -13.118 857 HB2 HIS 107 HB2 HIS 107 -6.472 1.208 -10.411 858 HB3 HIS 107 HB3 HIS 107 -7.767 1.407 -11.578 859 HD1 HIS 107 HD1 HIS 107 -6.447 -0.955 -8.982 860 HD2 HIS 107 HD2 HIS 107 -9.771 -0.564 -11.439 861 HE1 HIS 107 HE1 HIS 107 -8.113 -2.607 -8.113 862 HE2 HIS 107 HE2 HIS 107 -10.003 -2.532 -9.764 863 H ASN 108 H ASN 108 -5.421 2.381 -11.080 864 HA ASN 108 HA ASN 108 -3.481 3.320 -12.989 865 HB2 ASN 108 HB2 ASN 108 -5.522 4.060 -14.113 866 HB3 ASN 108 HB3 ASN 108 -6.104 4.806 -12.629 867 HD21 ASN 108 HD21 ASN 108 -3.808 5.046 -15.252 868 HD22 ASN 108 HD22 ASN 108 -3.421 6.714 -15.011 869 H GLY 109 H GLY 109 -5.647 4.664 -10.475 870 HA2 GLY 109 HA2 GLY 109 -3.459 6.219 -9.378 871 HA3 GLY 109 HA3 GLY 109 -5.135 6.249 -8.838 872 H ASP 110 H ASP 110 -4.699 3.131 -8.867 873 HA ASP 110 HA ASP 110 -4.311 2.761 -6.104 874 HB2 ASP 110 HB2 ASP 110 -4.240 0.309 -6.659 875 HB3 ASP 110 HB3 ASP 110 -5.640 1.155 -7.292 876 H ILE 111 H ILE 111 -2.146 2.248 -8.844 877 HA ILE 111 HA ILE 111 0.100 1.513 -7.229 878 HB ILE 111 HB ILE 111 0.409 2.651 -9.992 879 HG12 ILE 111 HG12 ILE 111 -1.499 0.993 -10.064 880 HG13 ILE 111 HG13 ILE 111 -0.126 0.587 -11.085 881 HG21 ILE 111 HG21 ILE 111 2.214 0.978 -10.155 882 HG22 ILE 111 HG22 ILE 111 1.847 0.451 -8.511 883 HG23 ILE 111 HG23 ILE 111 2.433 2.089 -8.802 884 HD11 ILE 111 HD11 ILE 111 0.630 -1.005 -9.371 885 HD12 ILE 111 HD12 ILE 111 -0.964 -1.387 -10.019 886 HD13 ILE 111 HD13 ILE 111 -0.815 -0.637 -8.426 887 H LYS 112 H LYS 112 -1.187 4.553 -8.531 888 HA LYS 112 HA LYS 112 1.170 6.076 -8.144 889 HB2 LYS 112 HB2 LYS 112 -1.694 6.804 -8.587 890 HB3 LYS 112 HB3 LYS 112 -0.526 8.047 -8.163 891 HG2 LYS 112 HG2 LYS 112 -0.331 6.199 -10.531 892 HG3 LYS 112 HG3 LYS 112 -0.857 7.885 -10.580 893 HD2 LYS 112 HD2 LYS 112 1.371 8.500 -9.610 894 HD3 LYS 112 HD3 LYS 112 1.857 6.819 -9.821 895 HE2 LYS 112 HE2 LYS 112 2.693 7.948 -11.711 896 HE3 LYS 112 HE3 LYS 112 1.248 7.107 -12.272 897 HZ1 LYS 112 HZ1 LYS 112 1.395 9.403 -13.078 898 HZ2 LYS 112 HZ2 LYS 112 1.348 9.965 -11.481 899 HZ3 LYS 112 HZ3 LYS 112 0.013 9.147 -12.132 900 H LYS 113 H LYS 113 -1.632 5.553 -6.009 901 HA LYS 113 HA LYS 113 -0.654 7.324 -3.976 902 HB2 LYS 113 HB2 LYS 113 -2.391 6.347 -2.538 903 HB3 LYS 113 HB3 LYS 113 -3.028 6.838 -4.098 904 HG2 LYS 113 HG2 LYS 113 -2.956 4.482 -4.839 905 HG3 LYS 113 HG3 LYS 113 -2.394 4.018 -3.235 906 HD2 LYS 113 HD2 LYS 113 -4.648 3.606 -3.051 907 HD3 LYS 113 HD3 LYS 113 -4.556 5.252 -2.435 908 HE2 LYS 113 HE2 LYS 113 -5.289 4.514 -5.270 909 HE3 LYS 113 HE3 LYS 113 -6.453 4.860 -3.997 910 HZ1 LYS 113 HZ1 LYS 113 -5.493 7.092 -3.824 911 HZ2 LYS 113 HZ2 LYS 113 -6.128 6.787 -5.364 912 HZ3 LYS 113 HZ3 LYS 113 -4.453 6.746 -5.116 913 H LEU 114 H LEU 114 -0.091 4.038 -4.818 914 HA LEU 114 HA LEU 114 0.934 3.175 -2.306 915 HB2 LEU 114 HB2 LEU 114 0.182 1.349 -3.363 916 HB3 LEU 114 HB3 LEU 114 0.351 2.070 -4.941 917 HG LEU 114 HG LEU 114 2.755 0.921 -3.540 918 HD11 LEU 114 HD11 LEU 114 0.749 -0.563 -5.222 919 HD12 LEU 114 HD12 LEU 114 1.051 -0.808 -3.502 920 HD13 LEU 114 HD13 LEU 114 2.308 -1.184 -4.680 921 HD21 LEU 114 HD21 LEU 114 1.950 1.297 -6.417 922 HD22 LEU 114 HD22 LEU 114 3.423 0.493 -5.869 923 HD23 LEU 114 HD23 LEU 114 3.176 2.208 -5.523 924 H ILE 115 H ILE 115 2.298 4.854 -5.039 925 HA ILE 115 HA ILE 115 5.047 4.279 -4.586 926 HB ILE 115 HB ILE 115 3.951 6.875 -5.704 927 HG12 ILE 115 HG12 ILE 115 3.010 5.042 -7.011 928 HG13 ILE 115 HG13 ILE 115 4.217 5.902 -7.954 929 HG21 ILE 115 HG21 ILE 115 6.099 7.019 -6.879 930 HG22 ILE 115 HG22 ILE 115 6.621 5.531 -6.087 931 HG23 ILE 115 HG23 ILE 115 6.305 6.975 -5.126 932 HD11 ILE 115 HD11 ILE 115 4.360 3.505 -8.305 933 HD12 ILE 115 HD12 ILE 115 4.605 3.248 -6.576 934 HD13 ILE 115 HD13 ILE 115 5.822 4.106 -7.523 935 H SER 116 H SER 116 2.841 6.737 -3.376 936 HA SER 116 HA SER 116 4.669 8.162 -1.744 937 HB2 SER 116 HB2 SER 116 2.423 8.995 -2.497 938 HB3 SER 116 HB3 SER 116 1.677 7.849 -1.387 939 HG SER 116 HG SER 116 1.876 9.375 0.032 940 H TRP 117 H TRP 117 2.783 5.254 -1.314 941 HA TRP 117 HA TRP 117 3.061 5.165 1.531 942 HB2 TRP 117 HB2 TRP 117 2.064 3.136 -0.460 943 HB3 TRP 117 HB3 TRP 117 2.114 2.850 1.276 944 HD1 TRP 117 HD1 TRP 117 1.171 6.160 1.600 945 HE1 TRP 117 HE1 TRP 117 -1.364 6.567 1.487 946 HE3 TRP 117 HE3 TRP 117 -0.254 1.779 -0.609 947 HZ2 TRP 117 HZ2 TRP 117 -3.664 5.206 0.596 948 HZ3 TRP 117 HZ3 TRP 117 -2.638 1.408 -1.046 949 HH2 TRP 117 HH2 TRP 117 -4.307 3.085 -0.462 950 H TYR 118 H TYR 118 4.874 3.832 -1.196 951 HA TYR 118 HA TYR 118 6.527 1.989 0.110 952 HB2 TYR 118 HB2 TYR 118 7.197 3.935 -2.092 953 HB3 TYR 118 HB3 TYR 118 8.318 2.716 -1.516 954 HD1 TYR 118 HD1 TYR 118 6.296 0.448 -1.224 955 HD2 TYR 118 HD2 TYR 118 7.010 3.301 -4.286 956 HE1 TYR 118 HE1 TYR 118 5.427 -1.132 -2.893 957 HE2 TYR 118 HE2 TYR 118 6.142 1.743 -5.961 958 HH TYR 118 HH TYR 118 5.768 -0.636 -6.248 959 H ASN 119 H ASN 119 6.792 5.465 -0.204 960 HA ASN 119 HA ASN 119 9.316 5.830 0.977 961 HB2 ASN 119 HB2 ASN 119 6.971 7.722 0.979 962 HB3 ASN 119 HB3 ASN 119 8.650 8.153 1.261 963 HD21 ASN 119 HD21 ASN 119 9.881 6.665 -0.743 964 HD22 ASN 119 HD22 ASN 119 9.399 7.297 -2.277 965 H ILE 120 H ILE 120 6.139 5.578 2.429 966 HA ILE 120 HA ILE 120 6.967 6.277 5.097 967 HB ILE 120 HB ILE 120 4.402 5.015 4.094 968 HG12 ILE 120 HG12 ILE 120 4.902 7.914 4.776 969 HG13 ILE 120 HG13 ILE 120 5.068 7.280 3.144 970 HG21 ILE 120 HG21 ILE 120 3.397 5.810 6.170 971 HG22 ILE 120 HG22 ILE 120 4.964 6.422 6.707 972 HG23 ILE 120 HG23 ILE 120 4.717 4.688 6.500 973 HD11 ILE 120 HD11 ILE 120 2.556 7.266 4.797 974 HD12 ILE 120 HD12 ILE 120 2.719 6.632 3.158 975 HD13 ILE 120 HD13 ILE 120 2.923 8.357 3.462 976 H LEU 121 H LEU 121 6.074 3.295 3.402 977 HA LEU 121 HA LEU 121 6.080 1.633 5.718 978 HB2 LEU 121 HB2 LEU 121 5.946 1.055 2.770 979 HB3 LEU 121 HB3 LEU 121 5.845 -0.194 3.992 980 HG LEU 121 HG LEU 121 3.909 2.114 3.903 981 HD11 LEU 121 HD11 LEU 121 2.372 0.643 2.723 982 HD12 LEU 121 HD12 LEU 121 3.622 -0.596 2.615 983 HD13 LEU 121 HD13 LEU 121 3.822 0.936 1.763 984 HD21 LEU 121 HD21 LEU 121 4.024 0.869 6.000 985 HD22 LEU 121 HD22 LEU 121 3.765 -0.639 5.123 986 HD23 LEU 121 HD23 LEU 121 2.492 0.581 5.172 987 H VAL 122 H VAL 122 8.306 1.999 2.999 988 HA VAL 122 HA VAL 122 10.117 -0.057 3.843 989 HB VAL 122 HB VAL 122 10.611 2.210 1.880 990 HG11 VAL 122 HG11 VAL 122 12.397 0.823 0.961 991 HG12 VAL 122 HG12 VAL 122 12.110 -0.390 2.211 992 HG13 VAL 122 HG13 VAL 122 12.710 1.209 2.654 993 HG21 VAL 122 HG21 VAL 122 10.110 0.562 0.143 994 HG22 VAL 122 HG22 VAL 122 8.731 0.809 1.215 995 HG23 VAL 122 HG23 VAL 122 9.733 -0.633 1.384 996 H ASN 123 H ASN 123 9.751 3.314 4.572 997 HA ASN 123 HA ASN 123 12.313 4.009 5.470 998 HB2 ASN 123 HB2 ASN 123 10.453 5.595 5.025 999 HB3 ASN 123 HB3 ASN 123 9.654 5.026 6.480 1000 HD21 ASN 123 HD21 ASN 123 12.347 6.815 5.208 1001 HD22 ASN 123 HD22 ASN 123 12.740 7.643 6.679 1002 H ASN 124 H ASN 124 9.492 2.994 7.417 1003 HA ASN 124 HA ASN 124 11.174 2.715 9.752 1004 HB2 ASN 124 HB2 ASN 124 8.203 2.388 9.320 1005 HB3 ASN 124 HB3 ASN 124 8.988 2.086 10.866 1006 HD21 ASN 124 HD21 ASN 124 8.005 4.503 8.565 1007 HD22 ASN 124 HD22 ASN 124 8.274 5.868 9.587 1008 H GLY 125 H GLY 125 10.410 0.713 7.207 1009 HA2 GLY 125 HA2 GLY 125 10.706 -1.531 6.835 1010 HA3 GLY 125 HA3 GLY 125 11.424 -1.635 8.435 1011 H ILE 126 H ILE 126 8.176 -0.743 7.347 1012 HA ILE 126 HA ILE 126 6.965 -1.954 9.613 1013 HB ILE 126 HB ILE 126 5.627 -0.951 7.088 1014 HG12 ILE 126 HG12 ILE 126 6.215 0.542 9.663 1015 HG13 ILE 126 HG13 ILE 126 7.136 0.727 8.175 1016 HG21 ILE 126 HG21 ILE 126 3.674 -0.619 8.555 1017 HG22 ILE 126 HG22 ILE 126 4.563 -1.360 9.887 1018 HG23 ILE 126 HG23 ILE 126 4.153 -2.315 8.461 1019 HD11 ILE 126 HD11 ILE 126 5.150 1.589 7.057 1020 HD12 ILE 126 HD12 ILE 126 5.564 2.545 8.482 1021 HD13 ILE 126 HD13 ILE 126 4.226 1.396 8.548 1022 H THR 127 H THR 127 5.988 -3.898 9.851 1023 HA THR 127 HA THR 127 6.664 -5.892 7.858 1024 HB THR 127 HB THR 127 5.903 -7.477 9.722 1025 HG1 THR 127 HG1 THR 127 5.445 -6.615 11.661 1026 HG21 THR 127 HG21 THR 127 8.258 -7.036 9.244 1027 HG22 THR 127 HG22 THR 127 7.994 -7.169 10.983 1028 HG23 THR 127 HG23 THR 127 8.201 -5.583 10.240 1029 H GLU 128 H GLU 128 4.548 -4.300 6.979 1030 HA GLU 128 HA GLU 128 2.090 -5.798 7.400 1031 HB2 GLU 128 HB2 GLU 128 2.778 -3.294 5.893 1032 HB3 GLU 128 HB3 GLU 128 1.254 -4.120 5.612 1033 HG2 GLU 128 HG2 GLU 128 2.210 -3.115 8.269 1034 HG3 GLU 128 HG3 GLU 128 1.073 -2.284 7.215 1035 H PHE 129 H PHE 129 4.732 -5.847 5.317 1036 HA PHE 129 HA PHE 129 3.226 -7.365 3.313 1037 HB2 PHE 129 HB2 PHE 129 5.379 -6.610 1.891 1038 HB3 PHE 129 HB3 PHE 129 3.885 -5.695 1.950 1039 HD1 PHE 129 HD2 PHE 129 7.312 -5.879 3.307 1040 HD2 PHE 129 HD1 PHE 129 3.823 -3.540 2.795 1041 HE1 PHE 129 HE2 PHE 129 8.550 -3.894 4.054 1042 HE2 PHE 129 HE1 PHE 129 5.047 -1.554 3.542 1043 HZ PHE 129 HZ PHE 129 7.413 -1.723 4.172 1044 H VAL 130 H VAL 130 6.327 -7.068 4.972 1045 HA VAL 130 HA VAL 130 6.813 -9.890 4.355 1046 HB VAL 130 HB VAL 130 8.380 -8.195 3.360 1047 HG11 VAL 130 HG11 VAL 130 9.322 -7.804 6.181 1048 HG12 VAL 130 HG12 VAL 130 8.544 -6.607 5.145 1049 HG13 VAL 130 HG13 VAL 130 10.146 -7.223 4.732 1050 HG21 VAL 130 HG21 VAL 130 9.617 -10.269 5.150 1051 HG22 VAL 130 HG22 VAL 130 10.414 -9.474 3.791 1052 HG23 VAL 130 HG23 VAL 130 9.015 -10.510 3.509 1053 H GLU 131 H GLU 131 7.742 -11.179 6.015 1054 HA GLU 131 HA GLU 131 7.171 -10.280 8.737 1055 HB2 GLU 131 HB2 GLU 131 7.446 -12.703 9.290 1056 HB3 GLU 131 HB3 GLU 131 6.162 -12.372 8.135 1057 HG2 GLU 131 HG2 GLU 131 7.477 -13.159 6.320 1058 HG3 GLU 131 HG3 GLU 131 8.922 -13.249 7.326 1059 H ALA 132 H ALA 132 9.568 -9.572 7.019 1060 HA ALA 132 HA ALA 132 11.862 -10.866 8.151 1061 HB1 ALA 132 HB1 ALA 132 13.123 -9.268 6.795 1062 HB2 ALA 132 HB2 ALA 132 11.637 -8.385 6.445 1063 HB3 ALA 132 HB3 ALA 132 11.844 -10.033 5.852 1064 HA PRO 133 HA PRO 133 12.669 -7.890 11.459 1065 HB2 PRO 133 HB2 PRO 133 15.340 -8.033 11.696 1066 HB3 PRO 133 HB3 PRO 133 14.289 -9.375 12.166 1067 HG2 PRO 133 HG2 PRO 133 15.871 -8.996 9.648 1068 HG3 PRO 133 HG3 PRO 133 15.705 -10.449 10.650 1069 HD2 PRO 133 HD2 PRO 133 14.296 -10.028 8.359 1070 HD3 PRO 133 HD3 PRO 133 13.689 -11.007 9.710 1071 H ALA 134 H ALA 134 12.249 -6.658 8.947 1072 HA ALA 134 HA ALA 134 14.197 -4.653 8.414 1073 HB1 ALA 134 HB1 ALA 134 12.429 -3.571 7.123 1074 HB2 ALA 134 HB2 ALA 134 11.238 -4.669 7.818 1075 HB3 ALA 134 HB3 ALA 134 12.505 -5.296 6.762 1076 H LEU 135 H LEU 135 11.251 -4.792 10.373 1077 HA LEU 135 HA LEU 135 12.023 -2.410 11.839 1078 HB2 LEU 135 HB2 LEU 135 9.634 -2.944 11.432 1079 HB3 LEU 135 HB3 LEU 135 9.828 -4.433 12.331 1080 HG LEU 135 HG LEU 135 10.285 -3.126 14.379 1081 HD11 LEU 135 HD11 LEU 135 11.195 -1.105 13.358 1082 HD12 LEU 135 HD12 LEU 135 9.838 -0.725 14.417 1083 HD13 LEU 135 HD13 LEU 135 9.614 -0.730 12.668 1084 HD21 LEU 135 HD21 LEU 135 7.999 -2.339 14.719 1085 HD22 LEU 135 HD22 LEU 135 8.022 -3.893 13.886 1086 HD23 LEU 135 HD23 LEU 135 7.708 -2.412 12.982 1087 H GLU 136 H GLU 136 13.213 -2.466 13.640 1088 HA GLU 136 HA GLU 136 14.624 -4.815 14.356 1089 HB2 GLU 136 HB2 GLU 136 15.691 -2.662 14.554 1090 HB3 GLU 136 HB3 GLU 136 14.450 -2.087 15.649 1091 HG2 GLU 136 HG2 GLU 136 16.492 -2.547 16.849 1092 HG3 GLU 136 HG3 GLU 136 15.224 -3.659 17.355 1093 H HIS 137 H HIS 137 12.270 -2.869 16.240 1094 HA HIS 137 HA HIS 137 12.136 -5.054 18.166 1095 HB2 HIS 137 HB2 HIS 137 12.327 -2.408 18.597 1096 HB3 HIS 137 HB3 HIS 137 10.572 -2.565 18.590 1097 HD1 HIS 137 HD1 HIS 137 9.509 -4.020 20.484 1098 HD2 HIS 137 HD2 HIS 137 13.609 -3.449 20.803 1099 HE1 HIS 137 HE1 HIS 137 10.119 -4.785 22.793 1100 HE2 HIS 137 HE2 HIS 137 12.627 -4.633 22.877 1101 H HIS 138 H HIS 138 10.769 -6.610 17.524 1102 HA HIS 138 HA HIS 138 7.999 -5.825 17.158 1103 HB2 HIS 138 HB2 HIS 138 7.645 -7.357 15.221 1104 HB3 HIS 138 HB3 HIS 138 8.659 -5.977 14.856 1105 HD1 HIS 138 HD1 HIS 138 8.409 -9.446 14.207 1106 HD2 HIS 138 HD2 HIS 138 11.592 -6.888 14.966 1107 HE1 HIS 138 HE1 HIS 138 10.432 -10.577 13.241 1108 HE2 HIS 138 HE2 HIS 138 12.365 -9.119 13.909 1109 H HIS 139 H HIS 139 7.657 -6.556 19.207 1110 HA HIS 139 HA HIS 139 7.186 -9.432 19.361 1111 HB2 HIS 139 HB2 HIS 139 8.941 -7.917 21.258 1112 HB3 HIS 139 HB3 HIS 139 7.950 -9.233 21.874 1113 HD1 HIS 139 HD1 HIS 139 11.123 -8.549 20.254 1114 HD2 HIS 139 HD2 HIS 139 8.557 -11.797 20.569 1115 HE1 HIS 139 HE1 HIS 139 12.490 -10.549 19.603 1116 HE2 HIS 139 HE2 HIS 139 10.970 -12.518 19.966 1117 H HIS 140 H HIS 140 6.787 -6.303 21.017 1118 HA HIS 140 HA HIS 140 3.973 -7.042 21.453 1119 HB2 HIS 140 HB2 HIS 140 5.806 -5.670 23.433 1120 HB3 HIS 140 HB3 HIS 140 4.054 -5.649 23.574 1121 HD1 HIS 140 HD1 HIS 140 6.819 -7.344 24.915 1122 HD2 HIS 140 HD2 HIS 140 3.101 -8.569 23.524 1123 HE1 HIS 140 HE1 HIS 140 6.400 -9.577 25.987 1124 HE2 HIS 140 HE2 HIS 140 4.230 -10.375 24.995 1125 H HIS 141 H HIS 141 2.968 -4.633 22.369 1126 HA HIS 141 HA HIS 141 3.403 -2.993 20.000 1127 HB2 HIS 141 HB2 HIS 141 1.076 -3.681 20.691 1128 HB3 HIS 141 HB3 HIS 141 1.252 -2.628 22.089 1129 HD1 HIS 141 HD1 HIS 141 1.038 -2.499 18.326 1130 HD2 HIS 141 HD2 HIS 141 0.794 0.048 21.597 1131 HE1 HIS 141 HE1 HIS 141 0.336 -0.273 17.403 1132 HE2 HIS 141 HE2 HIS 141 0.441 1.291 19.359 1133 H HIS 142 H HIS 142 5.453 -2.254 20.670 1134 HA HIS 142 HA HIS 142 5.176 0.301 22.055 1135 HB2 HIS 142 HB2 HIS 142 7.249 -1.779 22.722 1136 HB3 HIS 142 HB3 HIS 142 7.601 -0.071 22.923 1137 HD1 HIS 142 HD1 HIS 142 6.205 1.207 24.773 1138 HD2 HIS 142 HD2 HIS 142 5.700 -2.916 24.694 1139 HE1 HIS 142 HE1 HIS 142 5.156 0.611 26.980 1140 HE2 HIS 142 HE2 HIS 142 4.998 -1.903 26.968 Start of MODEL 15 1 H1 MET 1 H1 MET 1 3.294 -5.991 12.555 2 H2 MET 1 H2 MET 1 1.674 -6.230 12.147 3 H3 MET 1 H3 MET 1 2.681 -5.357 11.104 4 HA MET 1 HA MET 1 4.002 -7.321 10.680 5 HB2 MET 1 HB2 MET 1 3.466 -8.328 12.950 6 HB3 MET 1 HB3 MET 1 1.917 -8.820 12.287 7 HG2 MET 1 HG2 MET 1 4.425 -9.640 10.903 8 HG3 MET 1 HG3 MET 1 3.939 -10.472 12.375 9 HE1 MET 1 HE1 MET 1 1.815 -12.010 12.592 10 HE2 MET 1 HE2 MET 1 0.538 -12.080 11.379 11 HE3 MET 1 HE3 MET 1 0.831 -10.584 12.265 12 H LEU 2 H LEU 2 0.463 -7.593 11.105 13 HA LEU 2 HA LEU 2 0.109 -6.539 8.475 14 HB2 LEU 2 HB2 LEU 2 -1.253 -8.274 7.512 15 HB3 LEU 2 HB3 LEU 2 0.298 -8.955 7.934 16 HG LEU 2 HG LEU 2 -1.125 -9.666 10.126 17 HD11 LEU 2 HD11 LEU 2 -3.212 -8.713 9.285 18 HD12 LEU 2 HD12 LEU 2 -3.319 -10.469 9.409 19 HD13 LEU 2 HD13 LEU 2 -3.089 -9.709 7.835 20 HD21 LEU 2 HD21 LEU 2 0.241 -11.137 8.757 21 HD22 LEU 2 HD22 LEU 2 -0.992 -11.136 7.495 22 HD23 LEU 2 HD23 LEU 2 -1.335 -11.867 9.062 23 H LYS 3 H LYS 3 -1.705 -5.373 8.355 24 HA LYS 3 HA LYS 3 -3.561 -4.232 8.936 25 HB2 LYS 3 HB2 LYS 3 -4.514 -6.621 9.134 26 HB3 LYS 3 HB3 LYS 3 -4.346 -6.415 10.870 27 HG2 LYS 3 HG2 LYS 3 -5.772 -4.353 10.657 28 HG3 LYS 3 HG3 LYS 3 -6.080 -4.836 8.990 29 HD2 LYS 3 HD2 LYS 3 -7.077 -6.910 9.732 30 HD3 LYS 3 HD3 LYS 3 -6.680 -6.535 11.412 31 HE2 LYS 3 HE2 LYS 3 -8.106 -4.488 11.198 32 HE3 LYS 3 HE3 LYS 3 -8.598 -5.069 9.609 33 HZ1 LYS 3 HZ1 LYS 3 -10.197 -5.645 11.336 34 HZ2 LYS 3 HZ2 LYS 3 -9.009 -6.525 12.162 35 HZ3 LYS 3 HZ3 LYS 3 -9.526 -7.034 10.631 36 H THR 4 H THR 4 -1.016 -4.094 10.409 37 HA THR 4 HA THR 4 -1.927 -2.897 12.938 38 HB THR 4 HB THR 4 0.907 -3.049 11.851 39 HG1 THR 4 HG1 THR 4 -0.663 -4.836 13.351 40 HG21 THR 4 HG21 THR 4 1.579 -2.600 14.157 41 HG22 THR 4 HG22 THR 4 -0.112 -2.494 14.641 42 HG23 THR 4 HG23 THR 4 0.568 -1.293 13.542 43 H ILE 5 H ILE 5 -0.298 -2.165 9.922 44 HA ILE 5 HA ILE 5 -0.855 0.651 10.161 45 HB ILE 5 HB ILE 5 0.547 -1.060 8.148 46 HG12 ILE 5 HG12 ILE 5 1.764 -0.198 10.071 47 HG13 ILE 5 HG13 ILE 5 2.373 0.493 8.571 48 HG21 ILE 5 HG21 ILE 5 0.879 0.844 6.651 49 HG22 ILE 5 HG22 ILE 5 -0.237 1.804 7.623 50 HG23 ILE 5 HG23 ILE 5 -0.823 0.387 6.747 51 HD11 ILE 5 HD11 ILE 5 1.132 2.542 9.006 52 HD12 ILE 5 HD12 ILE 5 2.238 2.161 10.327 53 HD13 ILE 5 HD13 ILE 5 0.512 1.848 10.506 54 H LEU 6 H LEU 6 -2.766 1.381 9.831 55 HA LEU 6 HA LEU 6 -4.297 0.308 7.589 56 HB2 LEU 6 HB2 LEU 6 -5.137 1.689 10.094 57 HB3 LEU 6 HB3 LEU 6 -6.094 1.937 8.646 58 HG LEU 6 HG LEU 6 -6.209 -0.623 8.491 59 HD11 LEU 6 HD11 LEU 6 -5.419 -0.406 11.387 60 HD12 LEU 6 HD12 LEU 6 -4.461 -1.148 10.104 61 HD13 LEU 6 HD13 LEU 6 -6.009 -1.855 10.571 62 HD21 LEU 6 HD21 LEU 6 -7.608 0.796 10.744 63 HD22 LEU 6 HD22 LEU 6 -8.113 -0.726 10.009 64 HD23 LEU 6 HD23 LEU 6 -8.115 0.757 9.054 65 H SER 7 H SER 7 -4.816 1.571 5.957 66 HA SER 7 HA SER 7 -3.029 3.792 5.508 67 HB2 SER 7 HB2 SER 7 -3.191 2.047 3.810 68 HB3 SER 7 HB3 SER 7 -4.930 2.307 3.676 69 HG SER 7 HG SER 7 -2.999 3.532 2.376 70 H ILE 8 H ILE 8 -3.577 5.794 5.211 71 HA ILE 8 HA ILE 8 -6.398 6.539 5.557 72 HB ILE 8 HB ILE 8 -3.952 8.212 6.201 73 HG12 ILE 8 HG12 ILE 8 -4.040 6.297 7.742 74 HG13 ILE 8 HG13 ILE 8 -4.388 7.799 8.582 75 HG21 ILE 8 HG21 ILE 8 -6.875 8.596 6.874 76 HG22 ILE 8 HG22 ILE 8 -5.946 9.508 5.684 77 HG23 ILE 8 HG23 ILE 8 -5.557 9.646 7.399 78 HD11 ILE 8 HD11 ILE 8 -6.775 7.241 8.572 79 HD12 ILE 8 HD12 ILE 8 -5.813 5.993 9.367 80 HD13 ILE 8 HD13 ILE 8 -6.413 5.734 7.729 81 H ALA 9 H ALA 9 -7.207 7.119 3.649 82 HA ALA 9 HA ALA 9 -5.360 7.813 1.500 83 HB1 ALA 9 HB1 ALA 9 -6.952 5.990 1.127 84 HB2 ALA 9 HB2 ALA 9 -7.185 7.312 -0.017 85 HB3 ALA 9 HB3 ALA 9 -8.288 7.120 1.346 86 H GLY 10 H GLY 10 -4.864 9.895 1.608 87 HA2 GLY 10 HA2 GLY 10 -6.135 11.841 0.356 88 HA3 GLY 10 HA3 GLY 10 -6.956 11.894 1.906 89 H LYS 11 H LYS 11 -6.037 12.934 3.570 90 HA LYS 11 HA LYS 11 -3.879 14.685 2.782 91 HB2 LYS 11 HB2 LYS 11 -6.089 15.425 3.821 92 HB3 LYS 11 HB3 LYS 11 -5.428 14.881 5.353 93 HG2 LYS 11 HG2 LYS 11 -5.064 17.208 5.227 94 HG3 LYS 11 HG3 LYS 11 -3.502 16.430 4.964 95 HD2 LYS 11 HD2 LYS 11 -3.707 16.763 2.571 96 HD3 LYS 11 HD3 LYS 11 -5.319 17.449 2.780 97 HE2 LYS 11 HE2 LYS 11 -4.338 19.272 4.117 98 HE3 LYS 11 HE3 LYS 11 -2.735 18.601 3.821 99 HZ1 LYS 11 HZ1 LYS 11 -3.249 20.417 2.308 100 HZ2 LYS 11 HZ2 LYS 11 -4.600 19.576 1.729 101 HZ3 LYS 11 HZ3 LYS 11 -3.046 18.963 1.461 102 HA PRO 12 HA PRO 12 -1.592 12.830 6.589 103 HB2 PRO 12 HB2 PRO 12 -3.111 10.535 7.587 104 HB3 PRO 12 HB3 PRO 12 -2.497 11.940 8.465 105 HG2 PRO 12 HG2 PRO 12 -5.120 11.583 8.054 106 HG3 PRO 12 HG3 PRO 12 -4.384 13.198 8.040 107 HD2 PRO 12 HD2 PRO 12 -5.083 11.428 5.711 108 HD3 PRO 12 HD3 PRO 12 -5.474 13.147 5.961 109 H GLY 13 H GLY 13 -1.417 9.900 7.289 110 HA2 GLY 13 HA2 GLY 13 -0.445 8.892 4.705 111 HA3 GLY 13 HA3 GLY 13 0.665 9.023 6.057 112 H LEU 14 H LEU 14 0.796 7.371 7.527 113 HA LEU 14 HA LEU 14 -1.291 5.308 7.339 114 HB2 LEU 14 HB2 LEU 14 1.695 4.865 7.387 115 HB3 LEU 14 HB3 LEU 14 0.489 3.599 7.510 116 HG LEU 14 HG LEU 14 0.739 5.412 5.109 117 HD11 LEU 14 HD11 LEU 14 2.773 4.136 5.390 118 HD12 LEU 14 HD12 LEU 14 1.838 3.560 4.009 119 HD13 LEU 14 HD13 LEU 14 1.833 2.649 5.520 120 HD21 LEU 14 HD21 LEU 14 -0.667 2.781 5.521 121 HD22 LEU 14 HD22 LEU 14 -0.578 3.682 4.007 122 HD23 LEU 14 HD23 LEU 14 -1.442 4.359 5.389 123 H TYR 15 H TYR 15 -2.043 4.692 9.246 124 HA TYR 15 HA TYR 15 -0.484 5.408 11.634 125 HB2 TYR 15 HB2 TYR 15 -3.427 5.837 11.142 126 HB3 TYR 15 HB3 TYR 15 -2.711 5.881 12.748 127 HD1 TYR 15 HD1 TYR 15 -0.406 7.441 12.666 128 HD2 TYR 15 HD2 TYR 15 -3.904 7.907 10.302 129 HE1 TYR 15 HE1 TYR 15 0.129 9.816 12.362 130 HE2 TYR 15 HE2 TYR 15 -3.378 10.288 9.985 131 HH TYR 15 HH TYR 15 -0.339 11.625 10.832 132 H LYS 16 H LYS 16 -0.875 4.210 13.495 133 HA LYS 16 HA LYS 16 -1.636 1.446 13.060 134 HB2 LYS 16 HB2 LYS 16 -0.616 2.945 15.477 135 HB3 LYS 16 HB3 LYS 16 -0.978 1.227 15.471 136 HG2 LYS 16 HG2 LYS 16 0.836 0.716 14.138 137 HG3 LYS 16 HG3 LYS 16 0.974 2.359 13.509 138 HD2 LYS 16 HD2 LYS 16 2.777 1.823 15.098 139 HD3 LYS 16 HD3 LYS 16 1.764 3.141 15.687 140 HE2 LYS 16 HE2 LYS 16 0.551 1.544 17.112 141 HE3 LYS 16 HE3 LYS 16 1.592 0.249 16.530 142 HZ1 LYS 16 HZ1 LYS 16 2.272 1.117 18.693 143 HZ2 LYS 16 HZ2 LYS 16 2.533 2.643 18.011 144 HZ3 LYS 16 HZ3 LYS 16 3.477 1.321 17.522 145 H LEU 17 H LEU 17 -3.801 1.129 13.012 146 HA LEU 17 HA LEU 17 -5.610 2.625 14.721 147 HB2 LEU 17 HB2 LEU 17 -6.122 1.925 12.381 148 HB3 LEU 17 HB3 LEU 17 -6.100 0.262 12.896 149 HG LEU 17 HG LEU 17 -8.352 1.522 12.530 150 HD11 LEU 17 HD11 LEU 17 -7.859 -0.232 14.913 151 HD12 LEU 17 HD12 LEU 17 -8.193 -0.752 13.260 152 HD13 LEU 17 HD13 LEU 17 -9.432 0.097 14.184 153 HD21 LEU 17 HD21 LEU 17 -9.299 2.470 14.564 154 HD22 LEU 17 HD22 LEU 17 -7.914 3.405 14.001 155 HD23 LEU 17 HD23 LEU 17 -7.738 2.310 15.373 156 H ILE 18 H ILE 18 -5.593 2.155 16.802 157 HA ILE 18 HA ILE 18 -4.957 -0.446 17.851 158 HB ILE 18 HB ILE 18 -5.939 2.078 19.231 159 HG12 ILE 18 HG12 ILE 18 -3.581 1.698 20.353 160 HG13 ILE 18 HG13 ILE 18 -3.261 0.801 18.875 161 HG21 ILE 18 HG21 ILE 18 -5.464 0.992 21.377 162 HG22 ILE 18 HG22 ILE 18 -5.129 -0.520 20.535 163 HG23 ILE 18 HG23 ILE 18 -6.754 0.167 20.500 164 HD11 ILE 18 HD11 ILE 18 -2.470 3.099 18.752 165 HD12 ILE 18 HD12 ILE 18 -4.114 3.681 19.018 166 HD13 ILE 18 HD13 ILE 18 -3.724 2.774 17.555 167 H SER 19 H SER 19 -7.850 1.615 17.767 168 HA SER 19 HA SER 19 -9.578 -0.648 17.486 169 HB2 SER 19 HB2 SER 19 -10.927 -0.045 19.552 170 HB3 SER 19 HB3 SER 19 -9.370 -0.808 19.865 171 HG SER 19 HG SER 19 -8.999 0.864 21.066 172 H GLN 20 H GLN 20 -11.367 -0.092 16.423 173 HA GLN 20 HA GLN 20 -11.803 2.687 15.756 174 HB2 GLN 20 HB2 GLN 20 -13.324 0.184 14.957 175 HB3 GLN 20 HB3 GLN 20 -13.655 1.797 14.340 176 HG2 GLN 20 HG2 GLN 20 -11.421 1.887 13.368 177 HG3 GLN 20 HG3 GLN 20 -11.089 0.271 13.986 178 HE21 GLN 20 HE21 GLN 20 -10.733 -0.583 11.970 179 HE22 GLN 20 HE22 GLN 20 -12.001 -0.841 10.823 180 H GLY 21 H GLY 21 -12.947 3.977 17.015 181 HA2 GLY 21 HA2 GLY 21 -14.690 2.730 19.026 182 HA3 GLY 21 HA3 GLY 21 -13.880 4.281 19.204 183 H LYS 22 H LYS 22 -16.091 4.857 19.875 184 HA LYS 22 HA LYS 22 -18.137 5.002 17.882 185 HB2 LYS 22 HB2 LYS 22 -19.124 6.603 19.806 186 HB3 LYS 22 HB3 LYS 22 -19.241 4.857 19.844 187 HG2 LYS 22 HG2 LYS 22 -18.575 5.381 21.992 188 HG3 LYS 22 HG3 LYS 22 -17.052 4.956 21.216 189 HD2 LYS 22 HD2 LYS 22 -16.728 6.918 22.574 190 HD3 LYS 22 HD3 LYS 22 -16.611 7.375 20.876 191 HE2 LYS 22 HE2 LYS 22 -18.948 8.167 20.952 192 HE3 LYS 22 HE3 LYS 22 -19.012 7.761 22.666 193 HZ1 LYS 22 HZ1 LYS 22 -17.271 9.353 23.093 194 HZ2 LYS 22 HZ2 LYS 22 -18.565 10.110 22.302 195 HZ3 LYS 22 HZ3 LYS 22 -17.153 9.730 21.442 196 H ASN 23 H ASN 23 -17.906 6.199 16.227 197 HA ASN 23 HA ASN 23 -17.863 7.969 14.825 198 HB2 ASN 23 HB2 ASN 23 -18.938 9.273 16.771 199 HB3 ASN 23 HB3 ASN 23 -17.332 9.906 17.072 200 HD21 ASN 23 HD21 ASN 23 -20.058 9.908 14.921 201 HD22 ASN 23 HD22 ASN 23 -19.551 11.257 13.967 202 H MET 24 H MET 24 -15.512 8.402 17.408 203 HA MET 24 HA MET 24 -13.460 9.213 15.484 204 HB2 MET 24 HB2 MET 24 -13.961 10.649 17.448 205 HB3 MET 24 HB3 MET 24 -13.523 9.321 18.508 206 HG2 MET 24 HG2 MET 24 -11.253 9.445 17.212 207 HG3 MET 24 HG3 MET 24 -11.792 11.089 16.862 208 HE1 MET 24 HE1 MET 24 -12.679 8.987 19.995 209 HE2 MET 24 HE2 MET 24 -11.355 9.382 21.102 210 HE3 MET 24 HE3 MET 24 -11.032 8.467 19.624 211 H LEU 25 H LEU 25 -11.647 8.066 15.205 212 HA LEU 25 HA LEU 25 -11.471 5.372 16.341 213 HB2 LEU 25 HB2 LEU 25 -10.588 6.709 13.862 214 HB3 LEU 25 HB3 LEU 25 -9.442 5.569 14.532 215 HG LEU 25 HG LEU 25 -11.068 3.771 14.352 216 HD11 LEU 25 HD11 LEU 25 -12.914 5.827 13.163 217 HD12 LEU 25 HD12 LEU 25 -13.115 5.037 14.728 218 HD13 LEU 25 HD13 LEU 25 -13.199 4.089 13.244 219 HD21 LEU 25 HD21 LEU 25 -9.626 4.251 12.467 220 HD22 LEU 25 HD22 LEU 25 -10.811 5.396 11.836 221 HD23 LEU 25 HD23 LEU 25 -11.202 3.678 11.919 222 H ILE 26 H ILE 26 -9.628 4.637 17.387 223 HA ILE 26 HA ILE 26 -7.775 6.711 18.324 224 HB ILE 26 HB ILE 26 -8.041 3.812 19.225 225 HG12 ILE 26 HG12 ILE 26 -9.979 5.152 19.906 226 HG13 ILE 26 HG13 ILE 26 -9.003 4.707 21.299 227 HG21 ILE 26 HG21 ILE 26 -6.351 6.023 20.392 228 HG22 ILE 26 HG22 ILE 26 -5.763 4.603 19.528 229 HG23 ILE 26 HG23 ILE 26 -6.563 4.416 21.090 230 HD11 ILE 26 HD11 ILE 26 -8.041 6.957 21.331 231 HD12 ILE 26 HD12 ILE 26 -9.798 6.991 21.474 232 HD13 ILE 26 HD13 ILE 26 -9.031 7.393 19.938 233 H VAL 27 H VAL 27 -6.213 7.040 16.830 234 HA VAL 27 HA VAL 27 -4.728 4.651 15.983 235 HB VAL 27 HB VAL 27 -3.987 5.801 13.936 236 HG11 VAL 27 HG11 VAL 27 -5.864 4.291 13.776 237 HG12 VAL 27 HG12 VAL 27 -6.062 5.641 12.658 238 HG13 VAL 27 HG13 VAL 27 -6.978 5.602 14.164 239 HG21 VAL 27 HG21 VAL 27 -5.994 7.933 14.645 240 HG22 VAL 27 HG22 VAL 27 -5.106 7.811 13.125 241 HG23 VAL 27 HG23 VAL 27 -4.241 8.119 14.632 242 H GLU 28 H GLU 28 -2.429 5.025 15.649 243 HA GLU 28 HA GLU 28 -1.369 7.408 17.005 244 HB2 GLU 28 HB2 GLU 28 -0.570 4.539 17.439 245 HB3 GLU 28 HB3 GLU 28 0.516 5.868 17.812 246 HG2 GLU 28 HG2 GLU 28 -1.122 6.750 19.393 247 HG3 GLU 28 HG3 GLU 28 -2.199 5.406 19.021 248 H THR 29 H THR 29 0.647 8.109 16.276 249 HA THR 29 HA THR 29 1.346 7.300 13.594 250 HB THR 29 HB THR 29 3.012 9.124 15.317 251 HG1 THR 29 HG1 THR 29 0.416 9.501 14.428 252 HG21 THR 29 HG21 THR 29 2.363 9.078 12.362 253 HG22 THR 29 HG22 THR 29 3.862 8.509 13.099 254 HG23 THR 29 HG23 THR 29 3.446 10.222 13.159 255 H VAL 30 H VAL 30 2.808 5.847 13.091 256 HA VAL 30 HA VAL 30 3.849 3.965 14.777 257 HB VAL 30 HB VAL 30 4.946 4.826 12.077 258 HG11 VAL 30 HG11 VAL 30 5.178 2.169 13.530 259 HG12 VAL 30 HG12 VAL 30 6.488 3.325 13.285 260 HG13 VAL 30 HG13 VAL 30 5.758 2.516 11.898 261 HG21 VAL 30 HG21 VAL 30 3.493 3.077 11.187 262 HG22 VAL 30 HG22 VAL 30 2.588 4.359 11.990 263 HG23 VAL 30 HG23 VAL 30 2.826 2.811 12.801 264 H ASP 31 H ASP 31 5.874 6.467 13.206 265 HA ASP 31 HA ASP 31 7.246 6.918 15.712 266 HB2 ASP 31 HB2 ASP 31 8.401 5.058 14.070 267 HB3 ASP 31 HB3 ASP 31 9.161 6.537 13.478 268 H ALA 32 H ALA 32 9.249 8.549 14.828 269 HA ALA 32 HA ALA 32 9.777 10.638 14.227 270 HB1 ALA 32 HB1 ALA 32 8.925 11.684 12.233 271 HB2 ALA 32 HB2 ALA 32 7.573 10.549 12.178 272 HB3 ALA 32 HB3 ALA 32 9.221 9.969 11.940 273 H ALA 33 H ALA 33 6.235 10.414 14.404 274 HA ALA 33 HA ALA 33 6.240 12.907 15.985 275 HB1 ALA 33 HB1 ALA 33 3.844 13.062 15.485 276 HB2 ALA 33 HB2 ALA 33 3.933 11.549 14.582 277 HB3 ALA 33 HB3 ALA 33 4.798 12.972 14.003 278 H LYS 34 H LYS 34 5.232 9.543 15.859 279 HA LYS 34 HA LYS 34 4.278 8.071 17.303 280 HB2 LYS 34 HB2 LYS 34 6.269 9.532 19.035 281 HB3 LYS 34 HB3 LYS 34 5.453 8.059 19.552 282 HG2 LYS 34 HG2 LYS 34 6.396 6.870 17.631 283 HG3 LYS 34 HG3 LYS 34 7.204 8.349 17.119 284 HD2 LYS 34 HD2 LYS 34 7.676 7.070 19.800 285 HD3 LYS 34 HD3 LYS 34 8.618 6.677 18.366 286 HE2 LYS 34 HE2 LYS 34 8.357 9.427 19.574 287 HE3 LYS 34 HE3 LYS 34 9.724 8.338 19.812 288 HZ1 LYS 34 HZ1 LYS 34 8.879 9.712 17.332 289 HZ2 LYS 34 HZ2 LYS 34 9.923 8.379 17.289 290 HZ3 LYS 34 HZ3 LYS 34 10.379 9.786 18.118 291 H LYS 35 H LYS 35 2.639 10.414 17.064 292 HA LYS 35 HA LYS 35 1.667 10.916 19.775 293 HB2 LYS 35 HB2 LYS 35 0.310 12.719 18.703 294 HB3 LYS 35 HB3 LYS 35 2.040 12.902 18.470 295 HG2 LYS 35 HG2 LYS 35 1.838 12.008 16.208 296 HG3 LYS 35 HG3 LYS 35 0.101 11.825 16.437 297 HD2 LYS 35 HD2 LYS 35 1.545 14.459 16.643 298 HD3 LYS 35 HD3 LYS 35 0.809 13.864 15.156 299 HE2 LYS 35 HE2 LYS 35 -1.365 13.731 16.354 300 HE3 LYS 35 HE3 LYS 35 -0.590 14.470 17.756 301 HZ1 LYS 35 HZ1 LYS 35 -1.722 16.140 16.482 302 HZ2 LYS 35 HZ2 LYS 35 -0.906 15.692 15.070 303 HZ3 LYS 35 HZ3 LYS 35 -0.053 16.397 16.353 304 H ARG 36 H ARG 36 -0.471 10.615 20.418 305 HA ARG 36 HA ARG 36 -1.958 8.590 18.976 306 HB2 ARG 36 HB2 ARG 36 -1.756 8.777 21.530 307 HB3 ARG 36 HB3 ARG 36 -2.905 10.101 21.408 308 HG2 ARG 36 HG2 ARG 36 -4.487 8.524 20.283 309 HG3 ARG 36 HG3 ARG 36 -3.356 7.222 20.655 310 HD2 ARG 36 HD2 ARG 36 -4.836 8.985 22.602 311 HD3 ARG 36 HD3 ARG 36 -5.044 7.253 22.355 312 HE ARG 36 HE ARG 36 -2.445 7.456 23.090 313 HH11 ARG 36 HH11 ARG 36 -5.450 8.550 24.545 314 HH12 ARG 36 HH12 ARG 36 -4.799 8.607 26.156 315 HH21 ARG 36 HH21 ARG 36 -1.586 7.526 25.201 316 HH22 ARG 36 HH22 ARG 36 -2.594 8.016 26.531 317 H VAL 37 H VAL 37 -2.963 9.235 17.248 318 HA VAL 37 HA VAL 37 -3.926 11.971 16.963 319 HB VAL 37 HB VAL 37 -3.869 9.800 14.847 320 HG11 VAL 37 HG11 VAL 37 -5.220 11.748 14.289 321 HG12 VAL 37 HG12 VAL 37 -3.791 11.634 13.260 322 HG13 VAL 37 HG13 VAL 37 -3.832 12.797 14.586 323 HG21 VAL 37 HG21 VAL 37 -1.615 10.031 15.726 324 HG22 VAL 37 HG22 VAL 37 -1.680 11.775 15.467 325 HG23 VAL 37 HG23 VAL 37 -1.724 10.675 14.088 326 HA PRO 38 HA PRO 38 -8.163 10.381 17.170 327 HB2 PRO 38 HB2 PRO 38 -9.429 12.759 16.836 328 HB3 PRO 38 HB3 PRO 38 -8.804 12.201 18.386 329 HG2 PRO 38 HG2 PRO 38 -7.732 14.261 16.557 330 HG3 PRO 38 HG3 PRO 38 -7.577 14.123 18.315 331 HD2 PRO 38 HD2 PRO 38 -5.626 13.447 16.411 332 HD3 PRO 38 HD3 PRO 38 -5.611 13.017 18.130 333 H ALA 39 H ALA 39 -8.351 9.234 15.329 334 HA ALA 39 HA ALA 39 -8.722 10.586 12.759 335 HB1 ALA 39 HB1 ALA 39 -8.669 7.640 13.443 336 HB2 ALA 39 HB2 ALA 39 -7.325 8.574 12.786 337 HB3 ALA 39 HB3 ALA 39 -8.774 8.319 11.815 338 H TYR 40 H TYR 40 -10.686 9.541 11.458 339 HA TYR 40 HA TYR 40 -12.933 9.118 13.292 340 HB2 TYR 40 HB2 TYR 40 -12.847 11.174 11.078 341 HB3 TYR 40 HB3 TYR 40 -14.355 10.601 11.789 342 HD1 TYR 40 HD1 TYR 40 -14.812 11.020 14.202 343 HD2 TYR 40 HD2 TYR 40 -11.471 12.756 12.224 344 HE1 TYR 40 HE1 TYR 40 -14.541 12.606 16.057 345 HE2 TYR 40 HE2 TYR 40 -11.191 14.335 14.076 346 HH TYR 40 HH TYR 40 -12.639 15.353 15.848 347 H ALA 41 H ALA 41 -14.823 8.191 12.338 348 HA ALA 41 HA ALA 41 -14.203 6.149 10.395 349 HB1 ALA 41 HB1 ALA 41 -15.562 5.664 12.376 350 HB2 ALA 41 HB2 ALA 41 -16.442 5.316 10.886 351 HB3 ALA 41 HB3 ALA 41 -16.794 6.784 11.798 352 H HIS 42 H HIS 42 -15.076 9.313 10.089 353 HA HIS 42 HA HIS 42 -16.697 8.956 7.681 354 HB2 HIS 42 HB2 HIS 42 -15.864 11.467 9.162 355 HB3 HIS 42 HB3 HIS 42 -16.829 11.457 7.693 356 HD1 HIS 42 HD1 HIS 42 -17.389 12.121 10.988 357 HD2 HIS 42 HD2 HIS 42 -19.155 9.385 8.397 358 HE1 HIS 42 HE1 HIS 42 -19.651 11.615 11.981 359 HE2 HIS 42 HE2 HIS 42 -20.750 10.068 10.323 360 H ASP 43 H ASP 43 -13.574 8.756 8.392 361 HA ASP 43 HA ASP 43 -12.590 10.097 5.966 362 HB2 ASP 43 HB2 ASP 43 -11.595 10.403 8.412 363 HB3 ASP 43 HB3 ASP 43 -10.800 8.879 8.049 364 H LYS 44 H LYS 44 -10.947 8.785 4.719 365 HA LYS 44 HA LYS 44 -11.904 6.084 4.349 366 HB2 LYS 44 HB2 LYS 44 -9.805 7.701 2.911 367 HB3 LYS 44 HB3 LYS 44 -10.180 6.035 2.503 368 HG2 LYS 44 HG2 LYS 44 -12.202 8.259 2.462 369 HG3 LYS 44 HG3 LYS 44 -11.262 7.749 1.059 370 HD2 LYS 44 HD2 LYS 44 -12.202 5.511 1.221 371 HD3 LYS 44 HD3 LYS 44 -13.116 5.980 2.655 372 HE2 LYS 44 HE2 LYS 44 -14.537 6.000 0.670 373 HE3 LYS 44 HE3 LYS 44 -14.354 7.625 1.329 374 HZ1 LYS 44 HZ1 LYS 44 -12.656 8.053 -0.370 375 HZ2 LYS 44 HZ2 LYS 44 -14.153 7.667 -1.060 376 HZ3 LYS 44 HZ3 LYS 44 -12.915 6.513 -1.023 377 H VAL 45 H VAL 45 -11.317 5.006 6.188 378 HA VAL 45 HA VAL 45 -8.436 4.578 6.603 379 HB VAL 45 HB VAL 45 -10.644 3.871 8.555 380 HG11 VAL 45 HG11 VAL 45 -7.670 4.196 8.923 381 HG12 VAL 45 HG12 VAL 45 -8.557 2.672 8.872 382 HG13 VAL 45 HG13 VAL 45 -8.831 3.808 10.194 383 HG21 VAL 45 HG21 VAL 45 -10.085 5.884 9.825 384 HG22 VAL 45 HG22 VAL 45 -10.686 6.295 8.217 385 HG23 VAL 45 HG23 VAL 45 -8.957 6.378 8.559 386 H ILE 46 H ILE 46 -7.873 2.889 5.401 387 HA ILE 46 HA ILE 46 -9.528 0.433 5.435 388 HB ILE 46 HB ILE 46 -7.847 1.502 3.138 389 HG12 ILE 46 HG12 ILE 46 -9.899 2.785 3.255 390 HG13 ILE 46 HG13 ILE 46 -9.961 1.705 1.871 391 HG21 ILE 46 HG21 ILE 46 -8.749 -0.355 1.812 392 HG22 ILE 46 HG22 ILE 46 -9.508 -1.002 3.268 393 HG23 ILE 46 HG23 ILE 46 -7.746 -0.887 3.165 394 HD11 ILE 46 HD11 ILE 46 -11.364 1.296 4.502 395 HD12 ILE 46 HD12 ILE 46 -11.422 0.194 3.125 396 HD13 ILE 46 HD13 ILE 46 -12.106 1.814 2.988 397 H SER 47 H SER 47 -8.385 -1.380 6.088 398 HA SER 47 HA SER 47 -5.791 -1.202 7.132 399 HB2 SER 47 HB2 SER 47 -7.171 -3.715 6.157 400 HB3 SER 47 HB3 SER 47 -5.887 -3.612 7.361 401 HG SER 47 HG SER 47 -8.504 -3.465 7.746 402 H LEU 48 H LEU 48 -3.757 -1.483 6.266 403 HA LEU 48 HA LEU 48 -3.496 -1.447 3.420 404 HB2 LEU 48 HB2 LEU 48 -1.984 -0.280 5.107 405 HB3 LEU 48 HB3 LEU 48 -1.246 -1.848 5.374 406 HG LEU 48 HG LEU 48 -0.613 -1.945 2.980 407 HD11 LEU 48 HD11 LEU 48 -0.806 0.064 1.607 408 HD12 LEU 48 HD12 LEU 48 -1.694 0.871 2.899 409 HD13 LEU 48 HD13 LEU 48 -2.395 -0.531 2.089 410 HD21 LEU 48 HD21 LEU 48 0.952 -1.070 4.630 411 HD22 LEU 48 HD22 LEU 48 0.291 0.549 4.394 412 HD23 LEU 48 HD23 LEU 48 1.132 -0.263 3.073 413 H ALA 49 H ALA 49 -3.325 -3.931 5.861 414 HA ALA 49 HA ALA 49 -2.209 -5.986 4.279 415 HB1 ALA 49 HB1 ALA 49 -4.144 -6.203 6.570 416 HB2 ALA 49 HB2 ALA 49 -2.389 -6.122 6.705 417 HB3 ALA 49 HB3 ALA 49 -3.148 -7.509 5.923 418 H ASP 50 H ASP 50 -5.328 -4.527 4.448 419 HA ASP 50 HA ASP 50 -6.791 -6.644 3.139 420 HB2 ASP 50 HB2 ASP 50 -7.780 -5.251 4.937 421 HB3 ASP 50 HB3 ASP 50 -7.615 -3.832 3.921 422 H ILE 51 H ILE 51 -4.968 -3.872 2.176 423 HA ILE 51 HA ILE 51 -6.255 -3.285 -0.286 424 HB ILE 51 HB ILE 51 -3.327 -2.867 0.393 425 HG12 ILE 51 HG12 ILE 51 -4.808 -1.684 1.977 426 HG13 ILE 51 HG13 ILE 51 -3.893 -0.576 0.960 427 HG21 ILE 51 HG21 ILE 51 -5.029 -1.584 -1.746 428 HG22 ILE 51 HG22 ILE 51 -3.729 -2.749 -2.002 429 HG23 ILE 51 HG23 ILE 51 -3.363 -1.148 -1.359 430 HD11 ILE 51 HD11 ILE 51 -6.791 -1.320 0.604 431 HD12 ILE 51 HD12 ILE 51 -5.874 -0.221 -0.428 432 HD13 ILE 51 HD13 ILE 51 -6.171 0.196 1.261 433 H ALA 52 H ALA 52 -6.326 -4.409 -2.087 434 HA ALA 52 HA ALA 52 -4.109 -6.142 -2.854 435 HB1 ALA 52 HB1 ALA 52 -5.655 -7.945 -3.488 436 HB2 ALA 52 HB2 ALA 52 -7.006 -7.021 -2.830 437 HB3 ALA 52 HB3 ALA 52 -5.739 -7.614 -1.756 438 H MET 53 H MET 53 -4.352 -6.812 -5.161 439 HA MET 53 HA MET 53 -5.901 -4.885 -6.748 440 HB2 MET 53 HB2 MET 53 -4.095 -4.905 -8.448 441 HB3 MET 53 HB3 MET 53 -3.566 -4.217 -6.924 442 HG2 MET 53 HG2 MET 53 -2.319 -6.175 -6.381 443 HG3 MET 53 HG3 MET 53 -3.019 -7.061 -7.733 444 HE1 MET 53 HE1 MET 53 -0.135 -3.498 -8.308 445 HE2 MET 53 HE2 MET 53 -0.690 -4.046 -6.724 446 HE3 MET 53 HE3 MET 53 -1.829 -3.313 -7.854 447 H TYR 54 H TYR 54 -6.772 -5.717 -8.671 448 HA TYR 54 HA TYR 54 -6.874 -8.640 -8.749 449 HB2 TYR 54 HB2 TYR 54 -8.533 -6.602 -10.253 450 HB3 TYR 54 HB3 TYR 54 -8.755 -8.347 -10.314 451 HD1 TYR 54 HD2 TYR 54 -9.172 -9.497 -7.977 452 HD2 TYR 54 HD1 TYR 54 -9.785 -5.370 -8.777 453 HE1 TYR 54 HE2 TYR 54 -10.698 -9.361 -6.055 454 HE2 TYR 54 HE1 TYR 54 -11.306 -5.214 -6.867 455 HH TYR 54 HH TYR 54 -11.566 -7.608 -4.494 456 H THR 55 H THR 55 -5.991 -9.786 -10.391 457 HA THR 55 HA THR 55 -4.729 -8.225 -12.537 458 HB THR 55 HB THR 55 -2.809 -9.754 -12.555 459 HG1 THR 55 HG1 THR 55 -4.059 -10.923 -10.272 460 HG21 THR 55 HG21 THR 55 -3.272 -8.569 -9.821 461 HG22 THR 55 HG22 THR 55 -2.615 -7.724 -11.224 462 HG23 THR 55 HG23 THR 55 -1.712 -9.050 -10.490 463 H ASP 56 H ASP 56 -3.888 -10.038 -14.243 464 HA ASP 56 HA ASP 56 -6.206 -11.365 -15.270 465 HB2 ASP 56 HB2 ASP 56 -4.427 -10.399 -16.701 466 HB3 ASP 56 HB3 ASP 56 -3.285 -11.577 -16.079 467 H ALA 57 H ALA 57 -3.441 -12.213 -13.381 468 HA ALA 57 HA ALA 57 -4.126 -15.011 -13.098 469 HB1 ALA 57 HB1 ALA 57 -1.776 -14.332 -13.101 470 HB2 ALA 57 HB2 ALA 57 -2.211 -15.067 -11.557 471 HB3 ALA 57 HB3 ALA 57 -2.058 -13.315 -11.687 472 H GLU 58 H GLU 58 -3.543 -15.116 -10.227 473 HA GLU 58 HA GLU 58 -6.182 -14.848 -9.272 474 HB2 GLU 58 HB2 GLU 58 -3.581 -15.508 -7.928 475 HB3 GLU 58 HB3 GLU 58 -5.101 -15.449 -7.045 476 HG2 GLU 58 HG2 GLU 58 -4.534 -17.204 -9.420 477 HG3 GLU 58 HG3 GLU 58 -4.497 -17.723 -7.734 478 H GLU 59 H GLU 59 -6.367 -13.970 -6.846 479 HA GLU 59 HA GLU 59 -6.251 -11.110 -7.108 480 HB2 GLU 59 HB2 GLU 59 -8.229 -12.173 -6.088 481 HB3 GLU 59 HB3 GLU 59 -7.218 -12.834 -4.812 482 HG2 GLU 59 HG2 GLU 59 -6.622 -10.402 -4.278 483 HG3 GLU 59 HG3 GLU 59 -7.995 -9.979 -5.300 484 H VAL 60 H VAL 60 -4.312 -10.315 -6.882 485 HA VAL 60 HA VAL 60 -2.486 -11.446 -4.939 486 HB VAL 60 HB VAL 60 -2.110 -9.608 -7.318 487 HG11 VAL 60 HG11 VAL 60 -0.062 -10.345 -5.274 488 HG12 VAL 60 HG12 VAL 60 -0.742 -8.733 -5.512 489 HG13 VAL 60 HG13 VAL 60 0.225 -9.484 -6.783 490 HG21 VAL 60 HG21 VAL 60 -2.133 -12.073 -7.621 491 HG22 VAL 60 HG22 VAL 60 -0.746 -12.151 -6.522 492 HG23 VAL 60 HG23 VAL 60 -0.608 -11.299 -8.059 493 HA PRO 61 HA PRO 61 -3.518 -7.995 -2.149 494 HB2 PRO 61 HB2 PRO 61 -1.224 -9.088 -0.665 495 HB3 PRO 61 HB3 PRO 61 -2.875 -8.802 -0.120 496 HG2 PRO 61 HG2 PRO 61 -1.903 -11.281 -0.545 497 HG3 PRO 61 HG3 PRO 61 -3.605 -10.865 -0.818 498 HD2 PRO 61 HD2 PRO 61 -1.402 -11.267 -2.778 499 HD3 PRO 61 HD3 PRO 61 -3.126 -11.665 -2.920 500 H LEU 62 H LEU 62 -2.475 -6.032 -1.822 501 HA LEU 62 HA LEU 62 -0.440 -5.371 -3.654 502 HB2 LEU 62 HB2 LEU 62 -2.123 -3.773 -2.684 503 HB3 LEU 62 HB3 LEU 62 -1.166 -3.772 -1.215 504 HG LEU 62 HG LEU 62 0.784 -2.912 -2.495 505 HD11 LEU 62 HD11 LEU 62 0.427 -2.075 -4.767 506 HD12 LEU 62 HD12 LEU 62 -1.218 -2.714 -4.753 507 HD13 LEU 62 HD13 LEU 62 0.157 -3.817 -4.684 508 HD21 LEU 62 HD21 LEU 62 -1.717 -1.261 -2.755 509 HD22 LEU 62 HD22 LEU 62 -0.064 -0.659 -2.876 510 HD23 LEU 62 HD23 LEU 62 -0.649 -1.335 -1.352 511 H SER 63 H SER 63 -0.379 -6.378 -0.344 512 HA SER 63 HA SER 63 2.086 -5.644 0.583 513 HB2 SER 63 HB2 SER 63 0.707 -8.293 1.041 514 HB3 SER 63 HB3 SER 63 1.877 -7.512 2.110 515 HG SER 63 HG SER 63 0.338 -6.292 2.867 516 H GLU 64 H GLU 64 1.380 -8.574 -1.431 517 HA GLU 64 HA GLU 64 4.111 -9.440 -1.200 518 HB2 GLU 64 HB2 GLU 64 3.477 -11.273 -2.721 519 HB3 GLU 64 HB3 GLU 64 2.468 -11.157 -1.291 520 HG2 GLU 64 HG2 GLU 64 0.662 -10.264 -2.548 521 HG3 GLU 64 HG3 GLU 64 1.678 -10.065 -3.973 522 H VAL 65 H VAL 65 2.218 -7.905 -3.836 523 HA VAL 65 HA VAL 65 4.426 -7.949 -5.636 524 HB VAL 65 HB VAL 65 3.147 -6.047 -6.820 525 HG11 VAL 65 HG11 VAL 65 3.252 -8.333 -7.597 526 HG12 VAL 65 HG12 VAL 65 1.627 -7.683 -7.816 527 HG13 VAL 65 HG13 VAL 65 1.962 -8.790 -6.484 528 HG21 VAL 65 HG21 VAL 65 1.686 -5.387 -4.971 529 HG22 VAL 65 HG22 VAL 65 0.988 -7.008 -4.936 530 HG23 VAL 65 HG23 VAL 65 0.747 -5.976 -6.343 531 H LEU 66 H LEU 66 3.365 -5.566 -3.278 532 HA LEU 66 HA LEU 66 5.157 -3.466 -3.783 533 HB2 LEU 66 HB2 LEU 66 3.313 -3.129 -2.391 534 HB3 LEU 66 HB3 LEU 66 3.675 -4.515 -1.405 535 HG LEU 66 HG LEU 66 5.623 -3.148 -0.487 536 HD11 LEU 66 HD11 LEU 66 5.674 -1.451 -2.230 537 HD12 LEU 66 HD12 LEU 66 5.333 -0.731 -0.655 538 HD13 LEU 66 HD13 LEU 66 4.028 -0.973 -1.819 539 HD21 LEU 66 HD21 LEU 66 4.111 -1.975 1.041 540 HD22 LEU 66 HD22 LEU 66 3.569 -3.624 0.725 541 HD23 LEU 66 HD23 LEU 66 2.770 -2.266 -0.070 542 H GLU 67 H GLU 67 5.566 -6.512 -2.102 543 HA GLU 67 HA GLU 67 8.120 -5.939 -0.972 544 HB2 GLU 67 HB2 GLU 67 6.422 -7.721 -0.258 545 HB3 GLU 67 HB3 GLU 67 6.999 -8.668 -1.616 546 HG2 GLU 67 HG2 GLU 67 9.020 -7.672 0.300 547 HG3 GLU 67 HG3 GLU 67 7.937 -8.949 0.844 548 H ALA 68 H ALA 68 6.999 -7.475 -3.960 549 HA ALA 68 HA ALA 68 9.534 -8.519 -4.734 550 HB1 ALA 68 HB1 ALA 68 7.058 -8.117 -6.398 551 HB2 ALA 68 HB2 ALA 68 7.415 -9.531 -5.407 552 HB3 ALA 68 HB3 ALA 68 8.434 -9.152 -6.795 553 H VAL 69 H VAL 69 7.739 -5.599 -5.650 554 HA VAL 69 HA VAL 69 9.571 -4.878 -7.736 555 HB VAL 69 HB VAL 69 8.386 -2.685 -7.785 556 HG11 VAL 69 HG11 VAL 69 6.239 -3.548 -8.551 557 HG12 VAL 69 HG12 VAL 69 6.600 -5.102 -7.798 558 HG13 VAL 69 HG13 VAL 69 7.587 -4.522 -9.139 559 HG21 VAL 69 HG21 VAL 69 6.719 -3.882 -5.572 560 HG22 VAL 69 HG22 VAL 69 6.361 -2.390 -6.441 561 HG23 VAL 69 HG23 VAL 69 7.796 -2.493 -5.421 562 H LYS 70 H LYS 70 9.267 -4.060 -4.329 563 HA LYS 70 HA LYS 70 11.361 -2.139 -4.240 564 HB2 LYS 70 HB2 LYS 70 9.939 -3.802 -2.222 565 HB3 LYS 70 HB3 LYS 70 11.425 -2.982 -1.766 566 HG2 LYS 70 HG2 LYS 70 10.495 -0.860 -2.199 567 HG3 LYS 70 HG3 LYS 70 9.080 -1.566 -2.980 568 HD2 LYS 70 HD2 LYS 70 8.643 -0.744 -0.673 569 HD3 LYS 70 HD3 LYS 70 8.291 -2.455 -0.895 570 HE2 LYS 70 HE2 LYS 70 9.398 -2.120 1.228 571 HE3 LYS 70 HE3 LYS 70 10.464 -3.004 0.140 572 HZ1 LYS 70 HZ1 LYS 70 11.642 -0.944 -0.320 573 HZ2 LYS 70 HZ2 LYS 70 11.656 -1.289 1.342 574 HZ3 LYS 70 HZ3 LYS 70 10.616 -0.104 0.729 575 H LYS 71 H LYS 71 11.249 -5.627 -4.155 576 HA LYS 71 HA LYS 71 13.789 -6.152 -3.020 577 HB2 LYS 71 HB2 LYS 71 11.589 -7.636 -3.658 578 HB3 LYS 71 HB3 LYS 71 12.706 -8.140 -4.915 579 HG2 LYS 71 HG2 LYS 71 13.435 -8.185 -2.004 580 HG3 LYS 71 HG3 LYS 71 12.627 -9.534 -2.797 581 HD2 LYS 71 HD2 LYS 71 14.466 -9.899 -4.246 582 HD3 LYS 71 HD3 LYS 71 15.218 -8.369 -3.795 583 HE2 LYS 71 HE2 LYS 71 15.443 -9.261 -1.471 584 HE3 LYS 71 HE3 LYS 71 14.876 -10.817 -2.079 585 HZ1 LYS 71 HZ1 LYS 71 17.324 -10.604 -1.946 586 HZ2 LYS 71 HZ2 LYS 71 17.254 -9.398 -3.136 587 HZ3 LYS 71 HZ3 LYS 71 16.760 -10.975 -3.500 588 H LYS 72 H LYS 72 12.772 -5.419 -6.306 589 HA LYS 72 HA LYS 72 15.050 -6.108 -7.769 590 HB2 LYS 72 HB2 LYS 72 12.852 -5.193 -8.633 591 HB3 LYS 72 HB3 LYS 72 13.379 -3.601 -8.128 592 HG2 LYS 72 HG2 LYS 72 14.926 -5.241 -10.120 593 HG3 LYS 72 HG3 LYS 72 13.588 -4.203 -10.598 594 HD2 LYS 72 HD2 LYS 72 14.802 -2.300 -9.496 595 HD3 LYS 72 HD3 LYS 72 16.185 -3.372 -9.302 596 HE2 LYS 72 HE2 LYS 72 16.671 -2.202 -11.250 597 HE3 LYS 72 HE3 LYS 72 15.997 -3.716 -11.846 598 HZ1 LYS 72 HZ1 LYS 72 13.917 -2.670 -12.272 599 HZ2 LYS 72 HZ2 LYS 72 15.120 -1.687 -12.959 600 HZ3 LYS 72 HZ3 LYS 72 14.398 -1.244 -11.496 601 H GLU 73 H GLU 73 14.387 -3.165 -5.867 602 HA GLU 73 HA GLU 73 17.145 -2.284 -6.267 603 HB2 GLU 73 HB2 GLU 73 14.740 -0.827 -5.155 604 HB3 GLU 73 HB3 GLU 73 16.357 -0.137 -5.263 605 HG2 GLU 73 HG2 GLU 73 16.246 -0.666 -7.745 606 HG3 GLU 73 HG3 GLU 73 14.530 -0.955 -7.494 607 H ASN 74 H ASN 74 16.246 -4.503 -4.458 608 HA ASN 74 HA ASN 74 17.095 -5.526 -2.639 609 HB2 ASN 74 HB2 ASN 74 19.176 -4.197 -3.496 610 HB3 ASN 74 HB3 ASN 74 18.920 -3.214 -2.063 611 HD21 ASN 74 HD21 ASN 74 20.839 -3.837 -1.120 612 HD22 ASN 74 HD22 ASN 74 21.088 -5.424 -0.473 613 H GLY 75 H GLY 75 14.778 -3.816 -2.309 614 HA2 GLY 75 HA2 GLY 75 13.391 -3.458 -0.491 615 HA3 GLY 75 HA3 GLY 75 14.753 -3.745 0.574 616 H ALA 76 H ALA 76 14.757 -1.356 -1.999 617 HA ALA 76 HA ALA 76 15.153 0.725 0.021 618 HB1 ALA 76 HB1 ALA 76 15.593 0.810 -2.964 619 HB2 ALA 76 HB2 ALA 76 16.834 0.524 -1.743 620 HB3 ALA 76 HB3 ALA 76 16.012 2.083 -1.819 621 H VAL 77 H VAL 77 14.310 2.989 -0.800 622 HA VAL 77 HA VAL 77 11.452 2.852 -1.163 623 HB VAL 77 HB VAL 77 13.111 5.376 -1.396 624 HG11 VAL 77 HG11 VAL 77 10.328 4.911 -0.341 625 HG12 VAL 77 HG12 VAL 77 10.739 5.568 -1.926 626 HG13 VAL 77 HG13 VAL 77 11.146 6.469 -0.465 627 HG21 VAL 77 HG21 VAL 77 13.860 4.265 0.645 628 HG22 VAL 77 HG22 VAL 77 12.187 4.139 1.193 629 HG23 VAL 77 HG23 VAL 77 12.938 5.725 1.004 630 H ALA 78 H ALA 78 10.367 3.884 -3.007 631 HA ALA 78 HA ALA 78 11.166 2.997 -5.506 632 HB1 ALA 78 HB1 ALA 78 9.300 5.258 -4.805 633 HB2 ALA 78 HB2 ALA 78 8.871 3.550 -4.962 634 HB3 ALA 78 HB3 ALA 78 9.397 4.462 -6.379 635 H SER 79 H SER 79 12.647 3.718 -6.886 636 HA SER 79 HA SER 79 13.668 6.432 -6.702 637 HB2 SER 79 HB2 SER 79 15.180 4.464 -7.035 638 HB3 SER 79 HB3 SER 79 14.438 4.213 -8.612 639 HG SER 79 HG SER 79 16.246 5.403 -8.967 640 H ILE 80 H ILE 80 11.223 4.740 -8.330 641 HA ILE 80 HA ILE 80 11.131 6.275 -10.735 642 HB ILE 80 HB ILE 80 10.154 4.073 -10.792 643 HG12 ILE 80 HG12 ILE 80 7.980 6.179 -10.992 644 HG13 ILE 80 HG13 ILE 80 9.138 5.770 -12.246 645 HG21 ILE 80 HG21 ILE 80 8.146 3.443 -9.521 646 HG22 ILE 80 HG22 ILE 80 8.233 4.972 -8.645 647 HG23 ILE 80 HG23 ILE 80 9.526 3.785 -8.477 648 HD11 ILE 80 HD11 ILE 80 6.987 3.956 -11.173 649 HD12 ILE 80 HD12 ILE 80 8.153 3.543 -12.430 650 HD13 ILE 80 HD13 ILE 80 6.963 4.813 -12.716 651 H ASN 81 H ASN 81 10.344 8.235 -11.058 652 HA ASN 81 HA ASN 81 8.957 9.603 -8.900 653 HB2 ASN 81 HB2 ASN 81 10.903 10.611 -10.222 654 HB3 ASN 81 HB3 ASN 81 9.761 10.793 -11.542 655 HD21 ASN 81 HD21 ASN 81 11.252 12.718 -9.849 656 HD22 ASN 81 HD22 ASN 81 10.050 13.798 -9.223 657 H TYR 82 H TYR 82 6.931 9.251 -8.781 658 HA TYR 82 HA TYR 82 5.370 8.061 -10.799 659 HB2 TYR 82 HB2 TYR 82 3.555 8.115 -9.161 660 HB3 TYR 82 HB3 TYR 82 5.053 7.564 -8.430 661 HD1 TYR 82 HD1 TYR 82 6.443 9.467 -7.192 662 HD2 TYR 82 HD2 TYR 82 2.280 9.693 -8.040 663 HE1 TYR 82 HE1 TYR 82 6.184 11.136 -5.417 664 HE2 TYR 82 HE2 TYR 82 2.006 11.370 -6.262 665 HH TYR 82 HH TYR 82 3.181 12.047 -4.163 666 H LYS 83 H LYS 83 5.750 11.430 -9.967 667 HA LYS 83 HA LYS 83 3.021 12.074 -10.742 668 HB2 LYS 83 HB2 LYS 83 3.535 14.359 -10.018 669 HB3 LYS 83 HB3 LYS 83 3.895 13.175 -8.771 670 HG2 LYS 83 HG2 LYS 83 6.281 13.314 -9.363 671 HG3 LYS 83 HG3 LYS 83 5.896 14.544 -10.566 672 HD2 LYS 83 HD2 LYS 83 6.699 15.604 -8.547 673 HD3 LYS 83 HD3 LYS 83 4.986 15.967 -8.762 674 HE2 LYS 83 HE2 LYS 83 4.427 14.192 -7.157 675 HE3 LYS 83 HE3 LYS 83 6.144 13.868 -6.935 676 HZ1 LYS 83 HZ1 LYS 83 5.211 15.282 -5.189 677 HZ2 LYS 83 HZ2 LYS 83 4.827 16.457 -6.348 678 HZ3 LYS 83 HZ3 LYS 83 6.445 16.057 -6.049 679 H LYS 84 H LYS 84 6.077 11.991 -12.224 680 HA LYS 84 HA LYS 84 5.012 13.523 -14.486 681 HB2 LYS 84 HB2 LYS 84 7.268 14.310 -14.994 682 HB3 LYS 84 HB3 LYS 84 6.778 14.807 -13.382 683 HG2 LYS 84 HG2 LYS 84 8.066 12.695 -12.617 684 HG3 LYS 84 HG3 LYS 84 8.825 12.802 -14.209 685 HD2 LYS 84 HD2 LYS 84 9.220 15.279 -13.586 686 HD3 LYS 84 HD3 LYS 84 8.912 14.738 -11.933 687 HE2 LYS 84 HE2 LYS 84 10.695 13.055 -12.197 688 HE3 LYS 84 HE3 LYS 84 11.049 13.720 -13.794 689 HZ1 LYS 84 HZ1 LYS 84 12.529 14.607 -12.090 690 HZ2 LYS 84 HZ2 LYS 84 11.203 15.221 -11.234 691 HZ3 LYS 84 HZ3 LYS 84 11.576 15.835 -12.768 692 H ALA 85 H ALA 85 5.330 10.577 -13.554 693 HA ALA 85 HA ALA 85 6.601 9.470 -15.936 694 HB1 ALA 85 HB1 ALA 85 5.275 8.067 -13.608 695 HB2 ALA 85 HB2 ALA 85 7.010 8.314 -13.807 696 HB3 ALA 85 HB3 ALA 85 6.131 7.281 -14.936 697 H SER 86 H SER 86 5.469 8.570 -17.567 698 HA SER 86 HA SER 86 2.789 9.430 -17.955 699 HB2 SER 86 HB2 SER 86 4.393 7.473 -19.616 700 HB3 SER 86 HB3 SER 86 2.991 8.406 -20.145 701 HG SER 86 HG SER 86 5.570 9.373 -19.440 702 H ALA 87 H ALA 87 1.127 7.881 -18.820 703 HA ALA 87 HA ALA 87 0.239 6.085 -16.889 704 HB1 ALA 87 HB1 ALA 87 -1.442 5.419 -18.516 705 HB2 ALA 87 HB2 ALA 87 -0.499 6.163 -19.810 706 HB3 ALA 87 HB3 ALA 87 -1.200 7.166 -18.539 707 H ASP 88 H ASP 88 2.090 5.468 -19.827 708 HA ASP 88 HA ASP 88 2.126 2.619 -19.584 709 HB2 ASP 88 HB2 ASP 88 2.407 3.769 -21.729 710 HB3 ASP 88 HB3 ASP 88 3.897 4.501 -21.156 711 H GLU 89 H GLU 89 4.162 5.227 -18.410 712 HA GLU 89 HA GLU 89 6.460 3.616 -17.861 713 HB2 GLU 89 HB2 GLU 89 5.747 6.403 -16.940 714 HB3 GLU 89 HB3 GLU 89 7.299 5.626 -16.656 715 HG2 GLU 89 HG2 GLU 89 7.542 5.411 -19.137 716 HG3 GLU 89 HG3 GLU 89 6.093 6.397 -19.299 717 H LEU 90 H LEU 90 3.666 4.629 -15.953 718 HA LEU 90 HA LEU 90 4.502 3.799 -13.396 719 HB2 LEU 90 HB2 LEU 90 1.746 3.555 -14.601 720 HB3 LEU 90 HB3 LEU 90 2.130 3.569 -12.892 721 HG LEU 90 HG LEU 90 2.656 5.905 -14.716 722 HD11 LEU 90 HD11 LEU 90 0.279 5.379 -12.943 723 HD12 LEU 90 HD12 LEU 90 0.278 5.383 -14.706 724 HD13 LEU 90 HD13 LEU 90 0.609 6.873 -13.821 725 HD21 LEU 90 HD21 LEU 90 2.784 7.152 -12.630 726 HD22 LEU 90 HD22 LEU 90 3.965 5.842 -12.642 727 HD23 LEU 90 HD23 LEU 90 2.476 5.681 -11.710 728 H HIS 91 H HIS 91 3.045 2.055 -16.090 729 HA HIS 91 HA HIS 91 2.849 -0.430 -14.672 730 HB2 HIS 91 HB2 HIS 91 2.334 0.349 -17.536 731 HB3 HIS 91 HB3 HIS 91 2.154 -1.300 -16.953 732 HD1 HIS 91 HD1 HIS 91 0.112 1.411 -17.719 733 HD2 HIS 91 HD2 HIS 91 0.358 -1.105 -14.421 734 HE1 HIS 91 HE1 HIS 91 -2.116 1.583 -16.570 735 HE2 HIS 91 HE2 HIS 91 -1.870 0.202 -14.480 736 H ALA 92 H ALA 92 5.230 1.105 -16.631 737 HA ALA 92 HA ALA 92 6.576 -1.218 -17.567 738 HB1 ALA 92 HB1 ALA 92 8.370 0.304 -18.173 739 HB2 ALA 92 HB2 ALA 92 7.633 1.580 -17.201 740 HB3 ALA 92 HB3 ALA 92 6.802 0.970 -18.633 741 H TYR 93 H TYR 93 6.681 0.588 -14.599 742 HA TYR 93 HA TYR 93 9.115 -0.512 -13.578 743 HB2 TYR 93 HB2 TYR 93 8.212 1.619 -12.755 744 HB3 TYR 93 HB3 TYR 93 6.767 0.802 -12.181 745 HD1 TYR 93 HD2 TYR 93 10.382 1.267 -11.590 746 HD2 TYR 93 HD1 TYR 93 6.746 -0.326 -10.060 747 HE1 TYR 93 HE2 TYR 93 11.442 0.945 -9.396 748 HE2 TYR 93 HE1 TYR 93 7.802 -0.643 -7.873 749 HH TYR 93 HH TYR 93 10.175 -0.967 -6.998 750 H PHE 94 H PHE 94 5.680 -1.292 -13.264 751 HA PHE 94 HA PHE 94 6.145 -3.172 -11.133 752 HB2 PHE 94 HB2 PHE 94 4.098 -1.517 -11.824 753 HB3 PHE 94 HB3 PHE 94 3.495 -3.073 -12.382 754 HD1 PHE 94 HD1 PHE 94 4.478 -1.085 -9.484 755 HD2 PHE 94 HD2 PHE 94 2.984 -4.833 -10.828 756 HE1 PHE 94 HE1 PHE 94 3.789 -1.630 -7.189 757 HE2 PHE 94 HE2 PHE 94 2.295 -5.383 -8.539 758 HZ PHE 94 HZ PHE 94 2.689 -3.781 -6.721 759 H ALA 95 H ALA 95 5.646 -3.257 -14.588 760 HA ALA 95 HA ALA 95 5.023 -6.087 -14.683 761 HB1 ALA 95 HB1 ALA 95 4.967 -5.804 -17.096 762 HB2 ALA 95 HB2 ALA 95 5.623 -4.175 -16.930 763 HB3 ALA 95 HB3 ALA 95 4.020 -4.549 -16.296 764 H GLU 96 H GLU 96 7.742 -4.812 -13.826 765 HA GLU 96 HA GLU 96 9.584 -6.107 -15.639 766 HB2 GLU 96 HB2 GLU 96 10.132 -3.960 -14.622 767 HB3 GLU 96 HB3 GLU 96 9.982 -4.660 -13.020 768 HG2 GLU 96 HG2 GLU 96 11.887 -6.109 -13.461 769 HG3 GLU 96 HG3 GLU 96 12.035 -5.419 -15.083 770 H VAL 97 H VAL 97 9.007 -6.343 -12.117 771 HA VAL 97 HA VAL 97 10.077 -9.025 -12.094 772 HB VAL 97 HB VAL 97 9.639 -8.970 -9.641 773 HG11 VAL 97 HG11 VAL 97 11.801 -8.290 -10.522 774 HG12 VAL 97 HG12 VAL 97 11.366 -7.296 -9.130 775 HG13 VAL 97 HG13 VAL 97 11.205 -6.648 -10.762 776 HG21 VAL 97 HG21 VAL 97 8.764 -6.143 -10.201 777 HG22 VAL 97 HG22 VAL 97 9.049 -6.832 -8.603 778 HG23 VAL 97 HG23 VAL 97 7.742 -7.454 -9.611 779 H LEU 98 H LEU 98 6.968 -7.567 -12.334 780 HA LEU 98 HA LEU 98 5.745 -10.240 -12.150 781 HB2 LEU 98 HB2 LEU 98 4.573 -7.487 -11.838 782 HB3 LEU 98 HB3 LEU 98 3.555 -8.816 -12.341 783 HG LEU 98 HG LEU 98 3.186 -8.596 -10.050 784 HD11 LEU 98 HD11 LEU 98 3.496 -10.901 -10.689 785 HD12 LEU 98 HD12 LEU 98 4.058 -10.633 -9.039 786 HD13 LEU 98 HD13 LEU 98 5.224 -10.784 -10.353 787 HD21 LEU 98 HD21 LEU 98 5.029 -7.120 -9.497 788 HD22 LEU 98 HD22 LEU 98 6.158 -8.475 -9.588 789 HD23 LEU 98 HD23 LEU 98 4.904 -8.450 -8.346 790 HA PRO 99 HA PRO 99 6.326 -9.585 -16.681 791 HB2 PRO 99 HB2 PRO 99 5.516 -12.438 -16.665 792 HB3 PRO 99 HB3 PRO 99 6.901 -11.666 -17.445 793 HG2 PRO 99 HG2 PRO 99 7.247 -13.154 -15.267 794 HG3 PRO 99 HG3 PRO 99 8.158 -11.647 -15.483 795 HD2 PRO 99 HD2 PRO 99 5.743 -12.174 -13.798 796 HD3 PRO 99 HD3 PRO 99 7.204 -11.243 -13.407 797 H ASN 100 H ASN 100 3.696 -11.508 -15.251 798 HA ASN 100 HA ASN 100 1.831 -9.968 -16.908 799 HB2 ASN 100 HB2 ASN 100 1.963 -12.267 -17.815 800 HB3 ASN 100 HB3 ASN 100 1.546 -12.910 -16.235 801 HD21 ASN 100 HD21 ASN 100 -0.568 -12.881 -15.550 802 HD22 ASN 100 HD22 ASN 100 -1.891 -12.438 -16.570 803 H TYR 101 H TYR 101 1.209 -8.557 -15.341 804 HA TYR 101 HA TYR 101 -0.331 -9.865 -13.237 805 HB2 TYR 101 HB2 TYR 101 -0.199 -7.873 -11.824 806 HB3 TYR 101 HB3 TYR 101 1.397 -8.474 -12.210 807 HD1 TYR 101 HD1 TYR 101 2.219 -7.199 -14.605 808 HD2 TYR 101 HD2 TYR 101 -0.250 -5.628 -11.528 809 HE1 TYR 101 HE1 TYR 101 2.840 -4.929 -15.269 810 HE2 TYR 101 HE2 TYR 101 0.366 -3.343 -12.187 811 HH TYR 101 HH TYR 101 2.039 -2.709 -15.131 812 H ASP 102 H ASP 102 -0.949 -6.502 -14.127 813 HA ASP 102 HA ASP 102 -2.812 -6.971 -16.214 814 HB2 ASP 102 HB2 ASP 102 -3.975 -7.735 -13.922 815 HB3 ASP 102 HB3 ASP 102 -4.218 -5.994 -13.757 816 H ARG 103 H ARG 103 -3.725 -4.861 -16.949 817 HA ARG 103 HA ARG 103 -2.591 -2.605 -15.446 818 HB2 ARG 103 HB2 ARG 103 -2.061 -1.397 -17.471 819 HB3 ARG 103 HB3 ARG 103 -1.244 -2.947 -17.464 820 HG2 ARG 103 HG2 ARG 103 -2.695 -3.820 -19.118 821 HG3 ARG 103 HG3 ARG 103 -3.800 -2.450 -18.957 822 HD2 ARG 103 HD2 ARG 103 -1.994 -0.951 -19.732 823 HD3 ARG 103 HD3 ARG 103 -0.968 -2.359 -19.994 824 HE ARG 103 HE ARG 103 -2.461 -3.042 -21.755 825 HH11 ARG 103 HH11 ARG 103 -3.092 0.192 -20.515 826 HH12 ARG 103 HH12 ARG 103 -3.795 0.761 -21.998 827 HH21 ARG 103 HH21 ARG 103 -3.423 -2.307 -23.682 828 HH22 ARG 103 HH22 ARG 103 -3.995 -0.667 -23.799 829 H ASP 104 H ASP 104 -5.382 -4.025 -16.333 830 HA ASP 104 HA ASP 104 -6.836 -1.494 -16.740 831 HB2 ASP 104 HB2 ASP 104 -7.098 -3.374 -18.418 832 HB3 ASP 104 HB3 ASP 104 -7.917 -4.290 -17.156 833 H ARG 105 H ARG 105 -6.972 -4.552 -14.944 834 HA ARG 105 HA ARG 105 -8.996 -3.628 -13.102 835 HB2 ARG 105 HB2 ARG 105 -7.207 -6.063 -12.983 836 HB3 ARG 105 HB3 ARG 105 -8.599 -5.764 -11.950 837 HG2 ARG 105 HG2 ARG 105 -10.093 -5.952 -13.801 838 HG3 ARG 105 HG3 ARG 105 -8.747 -6.022 -14.942 839 HD2 ARG 105 HD2 ARG 105 -8.033 -8.137 -14.059 840 HD3 ARG 105 HD3 ARG 105 -9.223 -8.045 -12.762 841 HE ARG 105 HE ARG 105 -10.584 -7.898 -15.192 842 HH11 ARG 105 HH11 ARG 105 -8.632 -10.246 -13.459 843 HH12 ARG 105 HH12 ARG 105 -9.522 -11.610 -14.061 844 HH21 ARG 105 HH21 ARG 105 -11.739 -9.684 -15.982 845 HH22 ARG 105 HH22 ARG 105 -11.285 -11.292 -15.497 846 H VAL 106 H VAL 106 -5.494 -3.886 -13.145 847 HA VAL 106 HA VAL 106 -5.164 -2.859 -10.477 848 HB VAL 106 HB VAL 106 -3.185 -2.933 -12.786 849 HG11 VAL 106 HG11 VAL 106 -2.561 -1.262 -11.099 850 HG12 VAL 106 HG12 VAL 106 -1.444 -2.626 -11.110 851 HG13 VAL 106 HG13 VAL 106 -2.662 -2.497 -9.842 852 HG21 VAL 106 HG21 VAL 106 -3.521 -4.803 -10.442 853 HG22 VAL 106 HG22 VAL 106 -2.230 -4.877 -11.642 854 HG23 VAL 106 HG23 VAL 106 -3.902 -5.162 -12.128 855 H HIS 107 H HIS 107 -5.222 -1.606 -13.759 856 HA HIS 107 HA HIS 107 -5.483 0.415 -14.706 857 HB2 HIS 107 HB2 HIS 107 -7.406 0.302 -12.835 858 HB3 HIS 107 HB3 HIS 107 -6.519 1.683 -12.209 859 HD1 HIS 107 HD1 HIS 107 -9.275 2.307 -13.037 860 HD2 HIS 107 HD2 HIS 107 -6.137 2.349 -15.767 861 HE1 HIS 107 HE1 HIS 107 -10.023 3.823 -14.901 862 HE2 HIS 107 HE2 HIS 107 -8.180 3.706 -16.610 863 H ASN 108 H ASN 108 -5.207 3.062 -13.331 864 HA ASN 108 HA ASN 108 -2.277 3.006 -13.352 865 HB2 ASN 108 HB2 ASN 108 -4.219 5.299 -13.691 866 HB3 ASN 108 HB3 ASN 108 -2.468 5.476 -13.692 867 HD21 ASN 108 HD21 ASN 108 -1.279 4.667 -15.421 868 HD22 ASN 108 HD22 ASN 108 -2.018 4.283 -16.939 869 H GLY 109 H GLY 109 -4.963 3.678 -11.288 870 HA2 GLY 109 HA2 GLY 109 -3.616 5.506 -9.553 871 HA3 GLY 109 HA3 GLY 109 -5.211 4.815 -9.318 872 H ASP 110 H ASP 110 -4.068 2.021 -9.488 873 HA ASP 110 HA ASP 110 -3.451 1.785 -6.699 874 HB2 ASP 110 HB2 ASP 110 -3.742 -0.210 -8.917 875 HB3 ASP 110 HB3 ASP 110 -3.077 -0.704 -7.362 876 H ILE 111 H ILE 111 -1.554 1.957 -9.572 877 HA ILE 111 HA ILE 111 0.908 1.192 -8.323 878 HB ILE 111 HB ILE 111 0.607 2.981 -10.753 879 HG12 ILE 111 HG12 ILE 111 -0.643 0.905 -11.158 880 HG13 ILE 111 HG13 ILE 111 0.800 0.974 -12.158 881 HG21 ILE 111 HG21 ILE 111 2.829 2.132 -11.359 882 HG22 ILE 111 HG22 ILE 111 2.872 1.211 -9.855 883 HG23 ILE 111 HG23 ILE 111 2.835 2.973 -9.806 884 HD11 ILE 111 HD11 ILE 111 0.474 -0.640 -9.634 885 HD12 ILE 111 HD12 ILE 111 1.921 -0.583 -10.643 886 HD13 ILE 111 HD13 ILE 111 0.424 -1.262 -11.285 887 H LYS 112 H LYS 112 -0.773 4.218 -9.036 888 HA LYS 112 HA LYS 112 1.187 6.037 -8.175 889 HB2 LYS 112 HB2 LYS 112 -1.802 6.245 -8.454 890 HB3 LYS 112 HB3 LYS 112 -0.796 7.615 -8.011 891 HG2 LYS 112 HG2 LYS 112 -0.036 6.121 -10.455 892 HG3 LYS 112 HG3 LYS 112 -1.508 7.097 -10.519 893 HD2 LYS 112 HD2 LYS 112 -0.081 8.985 -9.549 894 HD3 LYS 112 HD3 LYS 112 1.310 7.979 -9.972 895 HE2 LYS 112 HE2 LYS 112 0.667 7.958 -12.282 896 HE3 LYS 112 HE3 LYS 112 -0.844 8.788 -11.916 897 HZ1 LYS 112 HZ1 LYS 112 0.484 10.704 -11.181 898 HZ2 LYS 112 HZ2 LYS 112 0.712 10.332 -12.818 899 HZ3 LYS 112 HZ3 LYS 112 1.894 9.904 -11.681 900 H LYS 113 H LYS 113 -1.446 4.479 -6.369 901 HA LYS 113 HA LYS 113 -1.154 6.120 -4.041 902 HB2 LYS 113 HB2 LYS 113 -2.725 4.564 -2.971 903 HB3 LYS 113 HB3 LYS 113 -3.302 5.066 -4.552 904 HG2 LYS 113 HG2 LYS 113 -2.533 2.922 -5.493 905 HG3 LYS 113 HG3 LYS 113 -2.000 2.426 -3.890 906 HD2 LYS 113 HD2 LYS 113 -4.127 1.412 -4.355 907 HD3 LYS 113 HD3 LYS 113 -4.346 2.631 -3.101 908 HE2 LYS 113 HE2 LYS 113 -5.313 4.157 -4.659 909 HE3 LYS 113 HE3 LYS 113 -4.873 3.129 -6.024 910 HZ1 LYS 113 HZ1 LYS 113 -6.392 1.446 -5.195 911 HZ2 LYS 113 HZ2 LYS 113 -7.208 2.904 -5.473 912 HZ3 LYS 113 HZ3 LYS 113 -6.817 2.439 -3.894 913 H LEU 114 H LEU 114 0.283 3.120 -5.116 914 HA LEU 114 HA LEU 114 1.211 2.393 -2.502 915 HB2 LEU 114 HB2 LEU 114 1.081 0.398 -3.456 916 HB3 LEU 114 HB3 LEU 114 0.907 1.110 -5.044 917 HG LEU 114 HG LEU 114 3.658 0.779 -3.892 918 HD11 LEU 114 HD11 LEU 114 2.088 -1.376 -5.285 919 HD12 LEU 114 HD12 LEU 114 2.608 -1.392 -3.600 920 HD13 LEU 114 HD13 LEU 114 3.808 -1.430 -4.891 921 HD21 LEU 114 HD21 LEU 114 3.425 2.037 -5.927 922 HD22 LEU 114 HD22 LEU 114 2.502 0.724 -6.673 923 HD23 LEU 114 HD23 LEU 114 4.205 0.493 -6.266 924 H ILE 115 H ILE 115 2.401 4.391 -5.062 925 HA ILE 115 HA ILE 115 5.178 4.316 -4.472 926 HB ILE 115 HB ILE 115 3.749 6.820 -5.378 927 HG12 ILE 115 HG12 ILE 115 3.075 4.920 -6.846 928 HG13 ILE 115 HG13 ILE 115 3.992 6.156 -7.688 929 HG21 ILE 115 HG21 ILE 115 5.890 7.313 -6.484 930 HG22 ILE 115 HG22 ILE 115 6.554 5.808 -5.846 931 HG23 ILE 115 HG23 ILE 115 6.076 7.097 -4.742 932 HD11 ILE 115 HD11 ILE 115 5.975 4.735 -7.614 933 HD12 ILE 115 HD12 ILE 115 4.624 3.925 -8.407 934 HD13 ILE 115 HD13 ILE 115 5.060 3.499 -6.751 935 H SER 116 H SER 116 2.473 6.096 -3.142 936 HA SER 116 HA SER 116 3.895 7.814 -1.409 937 HB2 SER 116 HB2 SER 116 1.074 6.745 -1.167 938 HB3 SER 116 HB3 SER 116 1.718 8.157 -0.328 939 HG SER 116 HG SER 116 1.977 8.135 -3.095 940 H TRP 117 H TRP 117 2.676 4.512 -1.081 941 HA TRP 117 HA TRP 117 3.179 4.508 1.765 942 HB2 TRP 117 HB2 TRP 117 2.243 2.219 0.037 943 HB3 TRP 117 HB3 TRP 117 2.260 2.267 1.800 944 HD1 TRP 117 HD1 TRP 117 0.985 5.211 2.136 945 HE1 TRP 117 HE1 TRP 117 -1.518 5.547 1.641 946 HE3 TRP 117 HE3 TRP 117 0.186 1.098 -0.781 947 HZ2 TRP 117 HZ2 TRP 117 -3.557 4.227 0.212 948 HZ3 TRP 117 HZ3 TRP 117 -2.074 0.704 -1.656 949 HH2 TRP 117 HH2 TRP 117 -3.903 2.235 -1.171 950 H TYR 118 H TYR 118 4.880 3.427 -1.125 951 HA TYR 118 HA TYR 118 6.853 1.760 -0.088 952 HB2 TYR 118 HB2 TYR 118 7.192 4.098 -1.964 953 HB3 TYR 118 HB3 TYR 118 8.514 3.046 -1.524 954 HD1 TYR 118 HD1 TYR 118 7.451 0.348 -1.884 955 HD2 TYR 118 HD2 TYR 118 6.731 3.889 -4.099 956 HE1 TYR 118 HE1 TYR 118 7.066 -0.991 -3.907 957 HE2 TYR 118 HE2 TYR 118 6.316 2.568 -6.105 958 HH TYR 118 HH TYR 118 6.869 0.401 -7.002 959 H ASN 119 H ASN 119 6.608 5.235 -0.073 960 HA ASN 119 HA ASN 119 9.105 5.782 1.113 961 HB2 ASN 119 HB2 ASN 119 7.538 7.275 -0.304 962 HB3 ASN 119 HB3 ASN 119 6.776 7.668 1.235 963 HD21 ASN 119 HD21 ASN 119 9.693 7.859 -0.661 964 HD22 ASN 119 HD22 ASN 119 10.445 9.117 0.246 965 H ILE 120 H ILE 120 5.830 5.689 2.555 966 HA ILE 120 HA ILE 120 6.690 6.617 5.119 967 HB ILE 120 HB ILE 120 4.136 5.095 4.548 968 HG12 ILE 120 HG12 ILE 120 4.478 8.096 4.467 969 HG13 ILE 120 HG13 ILE 120 4.577 7.098 3.022 970 HG21 ILE 120 HG21 ILE 120 4.843 7.137 6.674 971 HG22 ILE 120 HG22 ILE 120 4.649 5.402 6.927 972 HG23 ILE 120 HG23 ILE 120 3.262 6.384 6.459 973 HD11 ILE 120 HD11 ILE 120 2.187 7.312 4.839 974 HD12 ILE 120 HD12 ILE 120 2.289 6.360 3.358 975 HD13 ILE 120 HD13 ILE 120 2.380 8.119 3.282 976 H LEU 121 H LEU 121 6.113 3.380 3.767 977 HA LEU 121 HA LEU 121 6.326 1.988 6.229 978 HB2 LEU 121 HB2 LEU 121 6.641 1.029 3.387 979 HB3 LEU 121 HB3 LEU 121 6.657 -0.038 4.777 980 HG LEU 121 HG LEU 121 4.312 1.747 4.102 981 HD11 LEU 121 HD11 LEU 121 4.674 0.174 2.269 982 HD12 LEU 121 HD12 LEU 121 3.222 -0.231 3.185 983 HD13 LEU 121 HD13 LEU 121 4.701 -1.162 3.420 984 HD21 LEU 121 HD21 LEU 121 4.436 1.014 6.429 985 HD22 LEU 121 HD22 LEU 121 4.559 -0.663 5.894 986 HD23 LEU 121 HD23 LEU 121 3.087 0.256 5.583 987 H VAL 122 H VAL 122 8.785 2.820 3.776 988 HA VAL 122 HA VAL 122 10.887 1.443 5.155 989 HB VAL 122 HB VAL 122 11.181 3.700 3.154 990 HG11 VAL 122 HG11 VAL 122 13.225 3.315 4.449 991 HG12 VAL 122 HG12 VAL 122 13.424 2.795 2.775 992 HG13 VAL 122 HG13 VAL 122 13.163 1.599 4.046 993 HG21 VAL 122 HG21 VAL 122 9.942 1.853 2.192 994 HG22 VAL 122 HG22 VAL 122 11.181 0.718 2.732 995 HG23 VAL 122 HG23 VAL 122 11.566 1.927 1.507 996 H ASN 123 H ASN 123 9.676 4.769 5.222 997 HA ASN 123 HA ASN 123 11.835 5.969 6.573 998 HB2 ASN 123 HB2 ASN 123 9.117 6.730 5.815 999 HB3 ASN 123 HB3 ASN 123 9.671 7.508 7.295 1000 HD21 ASN 123 HD21 ASN 123 10.133 7.175 3.877 1001 HD22 ASN 123 HD22 ASN 123 11.199 8.527 3.686 1002 H ASN 124 H ASN 124 8.867 4.534 7.856 1003 HA ASN 124 HA ASN 124 9.729 5.155 10.589 1004 HB2 ASN 124 HB2 ASN 124 7.130 4.246 9.383 1005 HB3 ASN 124 HB3 ASN 124 7.417 4.079 11.108 1006 HD21 ASN 124 HD21 ASN 124 8.777 6.823 9.417 1007 HD22 ASN 124 HD22 ASN 124 7.676 7.993 10.053 1008 H GLY 125 H GLY 125 10.311 2.827 8.415 1009 HA2 GLY 125 HA2 GLY 125 11.226 0.743 8.515 1010 HA3 GLY 125 HA3 GLY 125 11.399 1.003 10.239 1011 H ILE 126 H ILE 126 8.386 0.922 8.479 1012 HA ILE 126 HA ILE 126 7.266 -0.976 10.319 1013 HB ILE 126 HB ILE 126 6.022 0.086 7.774 1014 HG12 ILE 126 HG12 ILE 126 5.620 1.289 10.510 1015 HG13 ILE 126 HG13 ILE 126 6.918 1.845 9.461 1016 HG21 ILE 126 HG21 ILE 126 4.861 -1.075 10.304 1017 HG22 ILE 126 HG22 ILE 126 4.839 -1.792 8.688 1018 HG23 ILE 126 HG23 ILE 126 3.912 -0.326 9.018 1019 HD11 ILE 126 HD11 ILE 126 5.275 2.464 7.763 1020 HD12 ILE 126 HD12 ILE 126 4.981 3.289 9.295 1021 HD13 ILE 126 HD13 ILE 126 3.977 1.916 8.825 1022 H THR 127 H THR 127 7.035 -0.961 6.813 1023 HA THR 127 HA THR 127 6.963 -2.552 5.241 1024 HB THR 127 HB THR 127 9.043 -3.991 5.104 1025 HG1 THR 127 HG1 THR 127 9.291 -3.339 7.641 1026 HG21 THR 127 HG21 THR 127 9.325 -1.007 5.442 1027 HG22 THR 127 HG22 THR 127 8.823 -1.853 3.976 1028 HG23 THR 127 HG23 THR 127 10.463 -2.055 4.593 1029 H GLU 128 H GLU 128 5.057 -3.311 6.692 1030 HA GLU 128 HA GLU 128 5.506 -5.959 7.758 1031 HB2 GLU 128 HB2 GLU 128 3.172 -5.779 8.553 1032 HB3 GLU 128 HB3 GLU 128 4.252 -4.572 9.188 1033 HG2 GLU 128 HG2 GLU 128 3.253 -2.876 7.868 1034 HG3 GLU 128 HG3 GLU 128 2.354 -4.059 6.914 1035 H PHE 129 H PHE 129 6.016 -6.658 5.546 1036 HA PHE 129 HA PHE 129 3.842 -8.108 4.377 1037 HB2 PHE 129 HB2 PHE 129 4.210 -7.155 2.050 1038 HB3 PHE 129 HB3 PHE 129 3.353 -6.118 3.180 1039 HD1 PHE 129 HD1 PHE 129 4.355 -4.105 4.028 1040 HD2 PHE 129 HD2 PHE 129 6.420 -6.541 1.228 1041 HE1 PHE 129 HE1 PHE 129 5.917 -2.284 3.615 1042 HE2 PHE 129 HE2 PHE 129 7.998 -4.709 0.799 1043 HZ PHE 129 HZ PHE 129 7.748 -2.571 1.991 1044 H VAL 130 H VAL 130 7.162 -7.103 4.379 1045 HA VAL 130 HA VAL 130 8.067 -9.488 2.994 1046 HB VAL 130 HB VAL 130 9.140 -7.331 2.498 1047 HG11 VAL 130 HG11 VAL 130 8.904 -6.195 4.598 1048 HG12 VAL 130 HG12 VAL 130 10.596 -6.203 4.099 1049 HG13 VAL 130 HG13 VAL 130 10.044 -7.304 5.363 1050 HG21 VAL 130 HG21 VAL 130 10.498 -9.292 2.171 1051 HG22 VAL 130 HG22 VAL 130 11.026 -9.247 3.854 1052 HG23 VAL 130 HG23 VAL 130 11.499 -7.959 2.746 1053 H GLU 131 H GLU 131 7.168 -8.573 6.061 1054 HA GLU 131 HA GLU 131 7.199 -9.424 8.132 1055 HB2 GLU 131 HB2 GLU 131 8.545 -11.844 6.918 1056 HB3 GLU 131 HB3 GLU 131 7.887 -11.742 8.544 1057 HG2 GLU 131 HG2 GLU 131 5.652 -11.452 7.659 1058 HG3 GLU 131 HG3 GLU 131 6.281 -11.460 6.010 1059 H ALA 132 H ALA 132 9.691 -8.152 6.766 1060 HA ALA 132 HA ALA 132 11.460 -8.526 9.080 1061 HB1 ALA 132 HB1 ALA 132 13.400 -8.208 7.613 1062 HB2 ALA 132 HB2 ALA 132 12.330 -8.089 6.216 1063 HB3 ALA 132 HB3 ALA 132 12.450 -9.607 7.106 1064 HA PRO 133 HA PRO 133 10.303 -4.102 8.873 1065 HB2 PRO 133 HB2 PRO 133 10.516 -4.166 11.775 1066 HB3 PRO 133 HB3 PRO 133 9.103 -3.860 10.768 1067 HG2 PRO 133 HG2 PRO 133 9.355 -6.090 12.269 1068 HG3 PRO 133 HG3 PRO 133 8.479 -6.067 10.726 1069 HD2 PRO 133 HD2 PRO 133 11.283 -6.974 11.289 1070 HD3 PRO 133 HD3 PRO 133 10.020 -7.764 10.314 1071 H ALA 134 H ALA 134 11.767 -2.578 8.561 1072 HA ALA 134 HA ALA 134 14.488 -2.873 9.387 1073 HB1 ALA 134 HB1 ALA 134 14.860 -0.751 8.249 1074 HB2 ALA 134 HB2 ALA 134 13.121 -0.501 8.119 1075 HB3 ALA 134 HB3 ALA 134 13.889 -1.830 7.246 1076 H LEU 135 H LEU 135 14.904 -2.720 11.450 1077 HA LEU 135 HA LEU 135 14.826 -2.367 13.609 1078 HB2 LEU 135 HB2 LEU 135 15.137 -0.224 14.547 1079 HB3 LEU 135 HB3 LEU 135 16.031 -0.323 13.057 1080 HG LEU 135 HG LEU 135 13.682 0.943 12.312 1081 HD11 LEU 135 HD11 LEU 135 14.584 2.005 14.991 1082 HD12 LEU 135 HD12 LEU 135 13.032 1.240 14.642 1083 HD13 LEU 135 HD13 LEU 135 13.437 2.789 13.903 1084 HD21 LEU 135 HD21 LEU 135 16.340 2.135 13.102 1085 HD22 LEU 135 HD22 LEU 135 15.122 2.915 12.092 1086 HD23 LEU 135 HD23 LEU 135 15.931 1.451 11.529 1087 H GLU 136 H GLU 136 12.130 -0.181 12.573 1088 HA GLU 136 HA GLU 136 9.941 -0.113 13.113 1089 HB2 GLU 136 HB2 GLU 136 9.820 -2.394 12.429 1090 HB3 GLU 136 HB3 GLU 136 10.461 -2.954 13.955 1091 HG2 GLU 136 HG2 GLU 136 8.128 -3.466 13.811 1092 HG3 GLU 136 HG3 GLU 136 8.393 -2.262 15.063 1093 H HIS 137 H HIS 137 8.612 0.584 14.677 1094 HA HIS 137 HA HIS 137 9.768 1.242 17.220 1095 HB2 HIS 137 HB2 HIS 137 8.292 2.785 15.964 1096 HB3 HIS 137 HB3 HIS 137 6.960 1.656 16.158 1097 HD1 HIS 137 HD1 HIS 137 9.113 4.027 18.137 1098 HD2 HIS 137 HD2 HIS 137 5.579 1.873 18.520 1099 HE1 HIS 137 HE1 HIS 137 8.095 4.775 20.319 1100 HE2 HIS 137 HE2 HIS 137 6.000 3.398 20.575 1101 H HIS 138 H HIS 138 7.358 -1.036 16.027 1102 HA HIS 138 HA HIS 138 6.386 -1.943 18.554 1103 HB2 HIS 138 HB2 HIS 138 5.138 -2.197 16.426 1104 HB3 HIS 138 HB3 HIS 138 6.364 -3.308 15.840 1105 HD1 HIS 138 HD1 HIS 138 3.572 -3.094 18.382 1106 HD2 HIS 138 HD2 HIS 138 6.004 -5.932 16.566 1107 HE1 HIS 138 HE1 HIS 138 2.636 -5.325 19.068 1108 HE2 HIS 138 HE2 HIS 138 3.988 -7.012 17.774 1109 H HIS 139 H HIS 139 8.997 -2.917 16.443 1110 HA HIS 139 HA HIS 139 9.754 -5.249 17.928 1111 HB2 HIS 139 HB2 HIS 139 10.182 -4.860 15.483 1112 HB3 HIS 139 HB3 HIS 139 11.348 -3.626 15.928 1113 HD1 HIS 139 HD1 HIS 139 10.836 -7.331 15.860 1114 HD2 HIS 139 HD2 HIS 139 13.835 -4.586 16.729 1115 HE1 HIS 139 HE1 HIS 139 12.960 -8.672 15.996 1116 HE2 HIS 139 HE2 HIS 139 14.775 -6.955 16.269 1117 H HIS 140 H HIS 140 10.906 -5.294 19.737 1118 HA HIS 140 HA HIS 140 11.911 -2.736 20.726 1119 HB2 HIS 140 HB2 HIS 140 11.904 -3.944 23.015 1120 HB3 HIS 140 HB3 HIS 140 10.377 -3.441 22.310 1121 HD1 HIS 140 HD1 HIS 140 12.323 -6.482 23.303 1122 HD2 HIS 140 HD2 HIS 140 8.653 -5.537 21.585 1123 HE1 HIS 140 HE1 HIS 140 11.003 -8.624 23.298 1124 HE2 HIS 140 HE2 HIS 140 8.872 -8.069 22.087 1125 H HIS 141 H HIS 141 13.743 -3.118 19.261 1126 HA HIS 141 HA HIS 141 15.935 -4.425 20.718 1127 HB2 HIS 141 HB2 HIS 141 15.755 -4.664 18.214 1128 HB3 HIS 141 HB3 HIS 141 15.982 -2.933 18.069 1129 HD1 HIS 141 HD1 HIS 141 17.800 -6.102 18.352 1130 HD2 HIS 141 HD2 HIS 141 18.656 -2.047 18.719 1131 HE1 HIS 141 HE1 HIS 141 20.306 -5.919 18.165 1132 HE2 HIS 141 HE2 HIS 141 20.811 -3.485 18.526 1133 H HIS 142 H HIS 142 14.377 -1.441 20.070 1134 HA HIS 142 HA HIS 142 16.390 0.031 21.621 1135 HB2 HIS 142 HB2 HIS 142 15.814 2.068 20.414 1136 HB3 HIS 142 HB3 HIS 142 16.312 0.823 19.286 1137 HD1 HIS 142 HD1 HIS 142 14.197 3.482 19.205 1138 HD2 HIS 142 HD2 HIS 142 13.496 -0.556 18.516 1139 HE1 HIS 142 HE1 HIS 142 12.127 3.385 17.768 1140 HE2 HIS 142 HE2 HIS 142 11.842 0.942 17.214 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.621 -7.385 12.017 2 H2 MET 1 H2 MET 1 0.023 -7.391 11.453 3 H3 MET 1 H3 MET 1 0.824 -5.921 11.702 4 HA MET 1 HA MET 1 2.336 -6.327 9.969 5 HB2 MET 1 HB2 MET 1 1.942 -8.377 8.489 6 HB3 MET 1 HB3 MET 1 2.779 -8.610 10.010 7 HG2 MET 1 HG2 MET 1 0.732 -9.483 11.007 8 HG3 MET 1 HG3 MET 1 -0.117 -9.238 9.481 9 HE1 MET 1 HE1 MET 1 0.444 -10.559 7.250 10 HE2 MET 1 HE2 MET 1 1.705 -11.786 7.118 11 HE3 MET 1 HE3 MET 1 2.141 -10.092 7.353 12 H LEU 2 H LEU 2 -0.937 -7.679 9.404 13 HA LEU 2 HA LEU 2 -1.319 -5.535 7.424 14 HB2 LEU 2 HB2 LEU 2 -2.286 -8.388 7.330 15 HB3 LEU 2 HB3 LEU 2 -2.821 -7.137 6.226 16 HG LEU 2 HG LEU 2 0.018 -8.125 6.489 17 HD11 LEU 2 HD11 LEU 2 -2.044 -8.618 4.350 18 HD12 LEU 2 HD12 LEU 2 -1.474 -9.797 5.532 19 HD13 LEU 2 HD13 LEU 2 -0.364 -9.155 4.322 20 HD21 LEU 2 HD21 LEU 2 -0.114 -5.784 5.809 21 HD22 LEU 2 HD22 LEU 2 -1.242 -6.214 4.524 22 HD23 LEU 2 HD23 LEU 2 0.418 -6.805 4.475 23 H LYS 3 H LYS 3 -3.448 -4.806 7.148 24 HA LYS 3 HA LYS 3 -5.514 -4.092 7.687 25 HB2 LYS 3 HB2 LYS 3 -6.053 -6.485 8.173 26 HB3 LYS 3 HB3 LYS 3 -5.663 -6.183 9.858 27 HG2 LYS 3 HG2 LYS 3 -7.485 -4.679 10.096 28 HG3 LYS 3 HG3 LYS 3 -7.775 -4.667 8.355 29 HD2 LYS 3 HD2 LYS 3 -8.363 -7.037 8.440 30 HD3 LYS 3 HD3 LYS 3 -8.085 -7.041 10.184 31 HE2 LYS 3 HE2 LYS 3 -9.881 -5.479 10.522 32 HE3 LYS 3 HE3 LYS 3 -10.086 -5.278 8.783 33 HZ1 LYS 3 HZ1 LYS 3 -10.782 -7.563 8.612 34 HZ2 LYS 3 HZ2 LYS 3 -11.748 -6.760 9.749 35 HZ3 LYS 3 HZ3 LYS 3 -10.525 -7.811 10.268 36 H THR 4 H THR 4 -3.121 -4.405 10.084 37 HA THR 4 HA THR 4 -4.188 -2.487 11.953 38 HB THR 4 HB THR 4 -1.266 -3.231 11.713 39 HG1 THR 4 HG1 THR 4 -3.427 -4.880 12.296 40 HG21 THR 4 HG21 THR 4 -1.308 -2.987 14.147 41 HG22 THR 4 HG22 THR 4 -3.046 -2.688 14.100 42 HG23 THR 4 HG23 THR 4 -1.934 -1.529 13.374 43 H ILE 5 H ILE 5 -2.101 -2.510 9.152 44 HA ILE 5 HA ILE 5 -1.500 0.289 9.366 45 HB ILE 5 HB ILE 5 -0.833 -1.841 7.371 46 HG12 ILE 5 HG12 ILE 5 0.507 -1.599 9.411 47 HG13 ILE 5 HG13 ILE 5 1.452 -1.261 7.965 48 HG21 ILE 5 HG21 ILE 5 0.387 -0.204 5.993 49 HG22 ILE 5 HG22 ILE 5 -0.355 1.103 6.918 50 HG23 ILE 5 HG23 ILE 5 -1.362 0.026 5.942 51 HD11 ILE 5 HD11 ILE 5 0.274 0.798 9.823 52 HD12 ILE 5 HD12 ILE 5 1.226 1.135 8.376 53 HD13 ILE 5 HD13 ILE 5 1.967 0.308 9.747 54 H LEU 6 H LEU 6 -2.760 1.798 8.819 55 HA LEU 6 HA LEU 6 -4.989 1.336 6.968 56 HB2 LEU 6 HB2 LEU 6 -4.684 2.902 9.470 57 HB3 LEU 6 HB3 LEU 6 -5.631 3.650 8.203 58 HG LEU 6 HG LEU 6 -7.166 1.728 8.209 59 HD11 LEU 6 HD11 LEU 6 -5.619 -0.016 8.952 60 HD12 LEU 6 HD12 LEU 6 -7.063 0.050 9.964 61 HD13 LEU 6 HD13 LEU 6 -5.545 0.735 10.547 62 HD21 LEU 6 HD21 LEU 6 -8.165 2.173 10.410 63 HD22 LEU 6 HD22 LEU 6 -7.672 3.645 9.573 64 HD23 LEU 6 HD23 LEU 6 -6.687 3.007 10.890 65 H SER 7 H SER 7 -5.162 2.599 5.221 66 HA SER 7 HA SER 7 -3.093 4.606 4.778 67 HB2 SER 7 HB2 SER 7 -3.397 2.920 3.017 68 HB3 SER 7 HB3 SER 7 -5.087 3.400 2.847 69 HG SER 7 HG SER 7 -2.758 4.789 2.141 70 H ILE 8 H ILE 8 -3.589 6.722 4.481 71 HA ILE 8 HA ILE 8 -6.407 7.538 4.721 72 HB ILE 8 HB ILE 8 -4.018 9.004 5.886 73 HG12 ILE 8 HG12 ILE 8 -4.535 6.979 7.183 74 HG13 ILE 8 HG13 ILE 8 -4.876 8.437 8.101 75 HG21 ILE 8 HG21 ILE 8 -5.636 10.510 6.923 76 HG22 ILE 8 HG22 ILE 8 -6.952 9.643 6.131 77 HG23 ILE 8 HG23 ILE 8 -5.773 10.529 5.164 78 HD11 ILE 8 HD11 ILE 8 -7.269 8.148 7.640 79 HD12 ILE 8 HD12 ILE 8 -6.580 6.753 8.469 80 HD13 ILE 8 HD13 ILE 8 -6.907 6.676 6.737 81 H ALA 9 H ALA 9 -7.068 8.813 3.104 82 HA ALA 9 HA ALA 9 -5.081 9.587 1.088 83 HB1 ALA 9 HB1 ALA 9 -8.083 9.468 0.857 84 HB2 ALA 9 HB2 ALA 9 -6.955 8.219 0.333 85 HB3 ALA 9 HB3 ALA 9 -6.950 9.796 -0.456 86 H GLY 10 H GLY 10 -5.929 11.035 3.680 87 HA2 GLY 10 HA2 GLY 10 -6.806 13.599 2.590 88 HA3 GLY 10 HA3 GLY 10 -6.697 13.177 4.291 89 H LYS 11 H LYS 11 -4.920 13.721 5.415 90 HA LYS 11 HA LYS 11 -2.962 15.322 3.946 91 HB2 LYS 11 HB2 LYS 11 -4.250 16.456 5.702 92 HB3 LYS 11 HB3 LYS 11 -3.640 15.329 6.896 93 HG2 LYS 11 HG2 LYS 11 -1.328 16.190 6.338 94 HG3 LYS 11 HG3 LYS 11 -2.139 17.478 5.439 95 HD2 LYS 11 HD2 LYS 11 -3.452 17.962 7.532 96 HD3 LYS 11 HD3 LYS 11 -2.373 16.855 8.379 97 HE2 LYS 11 HE2 LYS 11 -1.581 19.086 8.726 98 HE3 LYS 11 HE3 LYS 11 -0.458 18.269 7.639 99 HZ1 LYS 11 HZ1 LYS 11 -2.643 20.055 6.711 100 HZ2 LYS 11 HZ2 LYS 11 -1.382 19.409 5.783 101 HZ3 LYS 11 HZ3 LYS 11 -1.051 20.574 6.967 102 HA PRO 12 HA PRO 12 0.104 12.512 6.168 103 HB2 PRO 12 HB2 PRO 12 -0.867 11.059 8.422 104 HB3 PRO 12 HB3 PRO 12 0.147 12.502 8.428 105 HG2 PRO 12 HG2 PRO 12 -2.427 12.424 9.393 106 HG3 PRO 12 HG3 PRO 12 -1.620 13.895 8.815 107 HD2 PRO 12 HD2 PRO 12 -3.492 12.063 7.334 108 HD3 PRO 12 HD3 PRO 12 -3.522 13.843 7.445 109 H GLY 13 H GLY 13 0.658 10.889 4.980 110 HA2 GLY 13 HA2 GLY 13 -0.608 9.071 3.563 111 HA3 GLY 13 HA3 GLY 13 0.958 8.729 4.243 112 H LEU 14 H LEU 14 0.863 7.612 6.528 113 HA LEU 14 HA LEU 14 -1.465 5.850 6.527 114 HB2 LEU 14 HB2 LEU 14 1.382 4.862 6.416 115 HB3 LEU 14 HB3 LEU 14 -0.004 3.844 6.760 116 HG LEU 14 HG LEU 14 -0.653 5.134 4.369 117 HD11 LEU 14 HD11 LEU 14 1.249 4.635 2.918 118 HD12 LEU 14 HD12 LEU 14 2.209 4.223 4.341 119 HD13 LEU 14 HD13 LEU 14 1.625 5.873 4.118 120 HD21 LEU 14 HD21 LEU 14 0.480 2.378 4.804 121 HD22 LEU 14 HD22 LEU 14 -0.415 2.917 3.383 122 HD23 LEU 14 HD23 LEU 14 -1.215 2.841 4.953 123 H TYR 15 H TYR 15 -1.800 4.594 8.344 124 HA TYR 15 HA TYR 15 -0.569 5.552 10.835 125 HB2 TYR 15 HB2 TYR 15 -3.453 5.676 10.023 126 HB3 TYR 15 HB3 TYR 15 -3.033 5.467 11.718 127 HD1 TYR 15 HD1 TYR 15 -1.558 7.172 12.795 128 HD2 TYR 15 HD2 TYR 15 -3.400 7.821 9.035 129 HE1 TYR 15 HE1 TYR 15 -1.239 9.576 13.068 130 HE2 TYR 15 HE2 TYR 15 -3.085 10.243 9.293 131 HH TYR 15 HH TYR 15 -1.076 11.574 11.688 132 H LYS 16 H LYS 16 -1.125 4.172 12.702 133 HA LYS 16 HA LYS 16 -1.889 1.433 11.911 134 HB2 LYS 16 HB2 LYS 16 -0.209 2.431 14.199 135 HB3 LYS 16 HB3 LYS 16 -0.883 0.813 14.162 136 HG2 LYS 16 HG2 LYS 16 0.405 0.283 12.188 137 HG3 LYS 16 HG3 LYS 16 1.019 1.937 12.117 138 HD2 LYS 16 HD2 LYS 16 2.667 0.463 13.143 139 HD3 LYS 16 HD3 LYS 16 2.065 1.630 14.326 140 HE2 LYS 16 HE2 LYS 16 0.365 -0.241 14.920 141 HE3 LYS 16 HE3 LYS 16 1.508 -1.305 14.102 142 HZ1 LYS 16 HZ1 LYS 16 2.105 0.454 16.417 143 HZ2 LYS 16 HZ2 LYS 16 3.232 -0.536 15.625 144 HZ3 LYS 16 HZ3 LYS 16 1.930 -1.231 16.457 145 H LEU 17 H LEU 17 -3.799 0.731 12.593 146 HA LEU 17 HA LEU 17 -5.455 2.287 14.346 147 HB2 LEU 17 HB2 LEU 17 -5.909 0.400 12.395 148 HB3 LEU 17 HB3 LEU 17 -6.239 -0.502 13.856 149 HG LEU 17 HG LEU 17 -7.612 2.062 13.023 150 HD11 LEU 17 HD11 LEU 17 -9.582 0.617 12.754 151 HD12 LEU 17 HD12 LEU 17 -8.571 -0.794 13.070 152 HD13 LEU 17 HD13 LEU 17 -8.278 0.200 11.642 153 HD21 LEU 17 HD21 LEU 17 -9.130 1.648 14.884 154 HD22 LEU 17 HD22 LEU 17 -7.475 1.880 15.452 155 HD23 LEU 17 HD23 LEU 17 -8.160 0.257 15.371 156 H ILE 18 H ILE 18 -5.272 2.290 16.466 157 HA ILE 18 HA ILE 18 -4.061 0.038 17.881 158 HB ILE 18 HB ILE 18 -4.937 2.723 18.991 159 HG12 ILE 18 HG12 ILE 18 -2.130 1.861 18.254 160 HG13 ILE 18 HG13 ILE 18 -3.146 2.848 17.211 161 HG21 ILE 18 HG21 ILE 18 -4.760 0.987 20.696 162 HG22 ILE 18 HG22 ILE 18 -3.458 2.163 20.877 163 HG23 ILE 18 HG23 ILE 18 -3.132 0.591 20.147 164 HD11 ILE 18 HD11 ILE 18 -3.210 4.587 18.917 165 HD12 ILE 18 HD12 ILE 18 -1.554 4.201 18.443 166 HD13 ILE 18 HD13 ILE 18 -2.200 3.595 19.969 167 H SER 19 H SER 19 -6.905 2.157 18.319 168 HA SER 19 HA SER 19 -8.510 -0.200 18.986 169 HB2 SER 19 HB2 SER 19 -8.427 2.346 20.624 170 HB3 SER 19 HB3 SER 19 -9.579 1.030 20.857 171 HG SER 19 HG SER 19 -7.219 -0.090 20.840 172 H GLN 20 H GLN 20 -10.401 -0.218 17.992 173 HA GLN 20 HA GLN 20 -11.172 2.129 16.435 174 HB2 GLN 20 HB2 GLN 20 -11.016 0.050 15.187 175 HB3 GLN 20 HB3 GLN 20 -12.089 -0.757 16.321 176 HG2 GLN 20 HG2 GLN 20 -13.920 0.725 15.624 177 HG3 GLN 20 HG3 GLN 20 -12.840 1.493 14.461 178 HE21 GLN 20 HE21 GLN 20 -14.234 0.899 12.772 179 HE22 GLN 20 HE22 GLN 20 -14.284 -0.723 12.176 180 H GLY 21 H GLY 21 -12.572 3.464 17.283 181 HA2 GLY 21 HA2 GLY 21 -14.562 2.459 19.196 182 HA3 GLY 21 HA3 GLY 21 -14.031 4.132 19.063 183 H LYS 22 H LYS 22 -16.718 3.160 19.014 184 HA LYS 22 HA LYS 22 -17.592 3.501 16.252 185 HB2 LYS 22 HB2 LYS 22 -19.866 3.058 17.253 186 HB3 LYS 22 HB3 LYS 22 -18.709 1.745 17.416 187 HG2 LYS 22 HG2 LYS 22 -18.283 2.441 19.745 188 HG3 LYS 22 HG3 LYS 22 -19.489 3.718 19.562 189 HD2 LYS 22 HD2 LYS 22 -21.204 2.045 19.122 190 HD3 LYS 22 HD3 LYS 22 -20.004 0.761 19.282 191 HE2 LYS 22 HE2 LYS 22 -19.605 1.441 21.604 192 HE3 LYS 22 HE3 LYS 22 -20.818 2.708 21.432 193 HZ1 LYS 22 HZ1 LYS 22 -21.300 -0.216 21.233 194 HZ2 LYS 22 HZ2 LYS 22 -22.471 0.983 20.989 195 HZ3 LYS 22 HZ3 LYS 22 -21.763 0.794 22.513 196 H ASN 23 H ASN 23 -16.379 5.661 16.985 197 HA ASN 23 HA ASN 23 -18.227 7.829 16.821 198 HB2 ASN 23 HB2 ASN 23 -16.954 7.217 19.451 199 HB3 ASN 23 HB3 ASN 23 -16.920 8.894 18.933 200 HD21 ASN 23 HD21 ASN 23 -18.288 7.614 21.159 201 HD22 ASN 23 HD22 ASN 23 -19.965 7.978 20.969 202 H MET 24 H MET 24 -14.986 6.756 17.685 203 HA MET 24 HA MET 24 -13.716 8.506 15.764 204 HB2 MET 24 HB2 MET 24 -14.157 9.882 17.839 205 HB3 MET 24 HB3 MET 24 -13.119 8.774 18.718 206 HG2 MET 24 HG2 MET 24 -11.326 9.393 17.020 207 HG3 MET 24 HG3 MET 24 -12.386 10.739 16.586 208 HE1 MET 24 HE1 MET 24 -11.726 8.979 20.023 209 HE2 MET 24 HE2 MET 24 -10.478 10.031 20.696 210 HE3 MET 24 HE3 MET 24 -10.152 9.091 19.237 211 H LEU 25 H LEU 25 -11.612 7.812 15.319 212 HA LEU 25 HA LEU 25 -10.948 5.161 16.360 213 HB2 LEU 25 HB2 LEU 25 -10.526 6.580 13.825 214 HB3 LEU 25 HB3 LEU 25 -9.147 5.648 14.367 215 HG LEU 25 HG LEU 25 -10.502 3.612 14.391 216 HD11 LEU 25 HD11 LEU 25 -12.731 5.344 13.333 217 HD12 LEU 25 HD12 LEU 25 -12.684 4.568 14.917 218 HD13 LEU 25 HD13 LEU 25 -12.753 3.584 13.455 219 HD21 LEU 25 HD21 LEU 25 -9.302 4.214 12.386 220 HD22 LEU 25 HD22 LEU 25 -10.668 5.187 11.836 221 HD23 LEU 25 HD23 LEU 25 -10.829 3.434 11.969 222 H ILE 26 H ILE 26 -9.076 4.661 17.258 223 HA ILE 26 HA ILE 26 -7.258 6.845 18.033 224 HB ILE 26 HB ILE 26 -7.473 4.036 19.187 225 HG12 ILE 26 HG12 ILE 26 -9.439 5.420 19.734 226 HG13 ILE 26 HG13 ILE 26 -8.480 5.057 21.164 227 HG21 ILE 26 HG21 ILE 26 -5.814 6.377 20.128 228 HG22 ILE 26 HG22 ILE 26 -5.212 4.889 19.396 229 HG23 ILE 26 HG23 ILE 26 -5.992 4.840 20.978 230 HD11 ILE 26 HD11 ILE 26 -8.493 7.658 19.646 231 HD12 ILE 26 HD12 ILE 26 -7.521 7.308 21.076 232 HD13 ILE 26 HD13 ILE 26 -9.280 7.346 21.194 233 H VAL 27 H VAL 27 -5.666 7.028 16.550 234 HA VAL 27 HA VAL 27 -4.349 4.557 15.647 235 HB VAL 27 HB VAL 27 -3.840 5.676 13.460 236 HG11 VAL 27 HG11 VAL 27 -5.601 4.019 13.580 237 HG12 VAL 27 HG12 VAL 27 -6.052 5.304 12.458 238 HG13 VAL 27 HG13 VAL 27 -6.762 5.253 14.072 239 HG21 VAL 27 HG21 VAL 27 -4.198 7.996 14.105 240 HG22 VAL 27 HG22 VAL 27 -5.913 7.675 14.361 241 HG23 VAL 27 HG23 VAL 27 -5.227 7.564 12.740 242 H GLU 28 H GLU 28 -2.071 4.797 15.083 243 HA GLU 28 HA GLU 28 -0.814 7.103 16.429 244 HB2 GLU 28 HB2 GLU 28 1.127 5.637 16.923 245 HB3 GLU 28 HB3 GLU 28 -0.345 5.094 17.716 246 HG2 GLU 28 HG2 GLU 28 -0.629 3.330 16.132 247 HG3 GLU 28 HG3 GLU 28 0.681 3.948 15.131 248 H THR 29 H THR 29 0.867 8.120 15.438 249 HA THR 29 HA THR 29 1.166 7.660 12.588 250 HB THR 29 HB THR 29 2.827 9.665 14.073 251 HG1 THR 29 HG1 THR 29 0.277 9.589 14.494 252 HG21 THR 29 HG21 THR 29 3.086 9.402 11.648 253 HG22 THR 29 HG22 THR 29 2.433 10.990 12.051 254 HG23 THR 29 HG23 THR 29 1.367 9.731 11.427 255 H VAL 30 H VAL 30 2.851 6.648 11.648 256 HA VAL 30 HA VAL 30 4.580 5.124 13.342 257 HB VAL 30 HB VAL 30 3.530 4.240 11.262 258 HG11 VAL 30 HG11 VAL 30 5.579 5.900 9.823 259 HG12 VAL 30 HG12 VAL 30 3.828 6.098 9.763 260 HG13 VAL 30 HG13 VAL 30 4.574 4.646 9.094 261 HG21 VAL 30 HG21 VAL 30 5.366 3.053 12.311 262 HG22 VAL 30 HG22 VAL 30 6.534 4.014 11.403 263 HG23 VAL 30 HG23 VAL 30 5.458 2.903 10.557 264 H ASP 31 H ASP 31 4.933 8.047 11.512 265 HA ASP 31 HA ASP 31 7.712 8.292 12.422 266 HB2 ASP 31 HB2 ASP 31 7.175 7.757 9.814 267 HB3 ASP 31 HB3 ASP 31 7.011 9.511 9.801 268 H ALA 32 H ALA 32 8.213 10.829 11.559 269 HA ALA 32 HA ALA 32 7.838 13.033 11.590 270 HB1 ALA 32 HB1 ALA 32 4.898 12.493 11.905 271 HB2 ALA 32 HB2 ALA 32 5.758 12.592 10.371 272 HB3 ALA 32 HB3 ALA 32 5.649 14.014 11.409 273 H ALA 33 H ALA 33 5.612 11.709 14.033 274 HA ALA 33 HA ALA 33 6.871 13.356 16.072 275 HB1 ALA 33 HB1 ALA 33 3.933 13.580 15.396 276 HB2 ALA 33 HB2 ALA 33 5.153 14.821 15.109 277 HB3 ALA 33 HB3 ALA 33 4.736 14.360 16.760 278 H LYS 34 H LYS 34 5.347 10.585 15.005 279 HA LYS 34 HA LYS 34 4.379 8.721 15.850 280 HB2 LYS 34 HB2 LYS 34 6.454 9.383 17.930 281 HB3 LYS 34 HB3 LYS 34 5.481 7.924 18.039 282 HG2 LYS 34 HG2 LYS 34 7.386 7.166 16.991 283 HG3 LYS 34 HG3 LYS 34 6.320 7.478 15.623 284 HD2 LYS 34 HD2 LYS 34 7.427 9.715 15.386 285 HD3 LYS 34 HD3 LYS 34 8.580 9.209 16.623 286 HE2 LYS 34 HE2 LYS 34 8.109 7.876 13.956 287 HE3 LYS 34 HE3 LYS 34 9.505 8.856 14.400 288 HZ1 LYS 34 HZ1 LYS 34 10.153 7.223 16.008 289 HZ2 LYS 34 HZ2 LYS 34 9.920 6.445 14.521 290 HZ3 LYS 34 HZ3 LYS 34 8.751 6.311 15.736 291 H LYS 35 H LYS 35 2.695 10.837 16.255 292 HA LYS 35 HA LYS 35 1.873 10.879 19.044 293 HB2 LYS 35 HB2 LYS 35 0.269 12.649 18.250 294 HB3 LYS 35 HB3 LYS 35 1.960 13.040 18.027 295 HG2 LYS 35 HG2 LYS 35 1.823 12.524 15.673 296 HG3 LYS 35 HG3 LYS 35 0.161 11.976 15.864 297 HD2 LYS 35 HD2 LYS 35 1.110 14.791 16.397 298 HD3 LYS 35 HD3 LYS 35 0.351 14.252 14.898 299 HE2 LYS 35 HE2 LYS 35 -1.640 13.572 16.199 300 HE3 LYS 35 HE3 LYS 35 -0.881 14.222 17.649 301 HZ1 LYS 35 HZ1 LYS 35 -2.378 15.827 16.790 302 HZ2 LYS 35 HZ2 LYS 35 -1.710 15.730 15.238 303 HZ3 LYS 35 HZ3 LYS 35 -0.807 16.399 16.510 304 H ARG 36 H ARG 36 -0.271 10.453 19.737 305 HA ARG 36 HA ARG 36 -1.787 8.632 18.071 306 HB2 ARG 36 HB2 ARG 36 -3.344 8.425 19.942 307 HB3 ARG 36 HB3 ARG 36 -1.698 8.192 20.501 308 HG2 ARG 36 HG2 ARG 36 -1.658 10.341 21.521 309 HG3 ARG 36 HG3 ARG 36 -3.188 10.789 20.774 310 HD2 ARG 36 HD2 ARG 36 -4.190 8.831 22.059 311 HD3 ARG 36 HD3 ARG 36 -2.684 8.815 22.978 312 HE ARG 36 HE ARG 36 -3.976 11.392 22.828 313 HH11 ARG 36 HH11 ARG 36 -3.675 8.431 24.706 314 HH12 ARG 36 HH12 ARG 36 -4.303 9.158 26.153 315 HH21 ARG 36 HH21 ARG 36 -4.824 12.300 24.708 316 HH22 ARG 36 HH22 ARG 36 -4.968 11.341 26.149 317 H VAL 37 H VAL 37 -3.373 9.186 16.789 318 HA VAL 37 HA VAL 37 -4.225 12.002 16.812 319 HB VAL 37 HB VAL 37 -4.048 10.218 14.369 320 HG11 VAL 37 HG11 VAL 37 -4.263 12.288 13.111 321 HG12 VAL 37 HG12 VAL 37 -4.346 13.206 14.615 322 HG13 VAL 37 HG13 VAL 37 -5.640 12.080 14.197 323 HG21 VAL 37 HG21 VAL 37 -2.109 12.337 15.281 324 HG22 VAL 37 HG22 VAL 37 -2.043 11.459 13.751 325 HG23 VAL 37 HG23 VAL 37 -1.814 10.599 15.274 326 HA PRO 38 HA PRO 38 -8.388 10.293 17.117 327 HB2 PRO 38 HB2 PRO 38 -9.653 12.693 16.896 328 HB3 PRO 38 HB3 PRO 38 -8.988 12.080 18.406 329 HG2 PRO 38 HG2 PRO 38 -7.864 14.101 16.525 330 HG3 PRO 38 HG3 PRO 38 -7.831 14.071 18.298 331 HD2 PRO 38 HD2 PRO 38 -5.707 13.360 16.751 332 HD3 PRO 38 HD3 PRO 38 -6.007 12.692 18.365 333 H ALA 39 H ALA 39 -8.592 9.194 15.204 334 HA ALA 39 HA ALA 39 -8.868 10.692 12.707 335 HB1 ALA 39 HB1 ALA 39 -8.712 7.714 13.161 336 HB2 ALA 39 HB2 ALA 39 -7.364 8.761 12.723 337 HB3 ALA 39 HB3 ALA 39 -8.701 8.531 11.597 338 H TYR 40 H TYR 40 -10.641 10.252 11.257 339 HA TYR 40 HA TYR 40 -13.053 9.232 12.579 340 HB2 TYR 40 HB2 TYR 40 -12.896 11.814 10.993 341 HB3 TYR 40 HB3 TYR 40 -14.377 11.083 11.593 342 HD1 TYR 40 HD1 TYR 40 -14.764 10.972 14.082 343 HD2 TYR 40 HD2 TYR 40 -11.555 13.187 12.377 344 HE1 TYR 40 HE1 TYR 40 -14.543 12.252 16.165 345 HE2 TYR 40 HE2 TYR 40 -11.322 14.464 14.460 346 HH TYR 40 HH TYR 40 -12.746 15.099 16.376 347 H ALA 41 H ALA 41 -14.440 8.128 11.285 348 HA ALA 41 HA ALA 41 -13.279 7.126 8.841 349 HB1 ALA 41 HB1 ALA 41 -15.833 6.314 10.209 350 HB2 ALA 41 HB2 ALA 41 -14.246 5.607 10.504 351 HB3 ALA 41 HB3 ALA 41 -15.007 5.436 8.921 352 H HIS 42 H HIS 42 -13.435 8.925 7.547 353 HA HIS 42 HA HIS 42 -15.572 8.832 5.710 354 HB2 HIS 42 HB2 HIS 42 -16.447 11.092 5.809 355 HB3 HIS 42 HB3 HIS 42 -16.694 10.330 7.365 356 HD1 HIS 42 HD1 HIS 42 -15.254 13.300 5.777 357 HD2 HIS 42 HD2 HIS 42 -14.915 11.327 9.422 358 HE1 HIS 42 HE1 HIS 42 -14.224 14.966 7.360 359 HE2 HIS 42 HE2 HIS 42 -14.150 13.794 9.583 360 H ASP 43 H ASP 43 -12.509 9.752 6.748 361 HA ASP 43 HA ASP 43 -11.905 11.548 4.529 362 HB2 ASP 43 HB2 ASP 43 -11.289 11.958 6.985 363 HB3 ASP 43 HB3 ASP 43 -10.077 10.698 6.785 364 H LYS 44 H LYS 44 -12.465 8.955 3.756 365 HA LYS 44 HA LYS 44 -11.813 7.072 2.718 366 HB2 LYS 44 HB2 LYS 44 -9.568 8.913 1.910 367 HB3 LYS 44 HB3 LYS 44 -9.729 7.280 1.276 368 HG2 LYS 44 HG2 LYS 44 -11.866 9.392 1.058 369 HG3 LYS 44 HG3 LYS 44 -10.673 9.050 -0.198 370 HD2 LYS 44 HD2 LYS 44 -11.525 6.853 -0.523 371 HD3 LYS 44 HD3 LYS 44 -12.518 6.955 0.932 372 HE2 LYS 44 HE2 LYS 44 -12.895 8.683 -1.515 373 HE3 LYS 44 HE3 LYS 44 -13.805 7.208 -1.187 374 HZ1 LYS 44 HZ1 LYS 44 -15.086 9.072 -0.466 375 HZ2 LYS 44 HZ2 LYS 44 -13.793 9.698 0.431 376 HZ3 LYS 44 HZ3 LYS 44 -14.542 8.259 0.920 377 H VAL 45 H VAL 45 -11.595 6.496 5.061 378 HA VAL 45 HA VAL 45 -8.928 5.795 5.930 379 HB VAL 45 HB VAL 45 -11.618 5.146 7.177 380 HG11 VAL 45 HG11 VAL 45 -8.848 4.954 8.353 381 HG12 VAL 45 HG12 VAL 45 -9.870 3.596 7.885 382 HG13 VAL 45 HG13 VAL 45 -10.361 4.652 9.209 383 HG21 VAL 45 HG21 VAL 45 -11.109 6.950 8.758 384 HG22 VAL 45 HG22 VAL 45 -11.213 7.549 7.102 385 HG23 VAL 45 HG23 VAL 45 -9.636 7.318 7.858 386 H ILE 46 H ILE 46 -8.015 4.233 4.902 387 HA ILE 46 HA ILE 46 -9.596 1.959 3.886 388 HB ILE 46 HB ILE 46 -7.028 3.203 2.834 389 HG12 ILE 46 HG12 ILE 46 -8.847 4.664 2.277 390 HG13 ILE 46 HG13 ILE 46 -8.396 3.775 0.826 391 HG21 ILE 46 HG21 ILE 46 -8.619 0.952 1.633 392 HG22 ILE 46 HG22 ILE 46 -7.031 0.826 2.387 393 HG23 ILE 46 HG23 ILE 46 -7.226 1.746 0.895 394 HD11 ILE 46 HD11 ILE 46 -10.804 3.991 1.005 395 HD12 ILE 46 HD12 ILE 46 -10.768 3.195 2.579 396 HD13 ILE 46 HD13 ILE 46 -10.316 2.299 1.128 397 H SER 47 H SER 47 -8.684 -0.153 4.191 398 HA SER 47 HA SER 47 -6.406 -0.255 6.039 399 HB2 SER 47 HB2 SER 47 -8.507 -1.515 6.617 400 HB3 SER 47 HB3 SER 47 -8.242 -2.514 5.191 401 HG SER 47 HG SER 47 -6.837 -2.429 7.606 402 H LEU 48 H LEU 48 -4.491 -1.279 5.453 403 HA LEU 48 HA LEU 48 -3.872 -1.544 2.681 404 HB2 LEU 48 HB2 LEU 48 -2.211 -0.879 4.391 405 HB3 LEU 48 HB3 LEU 48 -2.302 -2.484 5.085 406 HG LEU 48 HG LEU 48 -1.445 -3.389 2.895 407 HD11 LEU 48 HD11 LEU 48 -0.301 -1.845 1.391 408 HD12 LEU 48 HD12 LEU 48 -0.898 -0.478 2.332 409 HD13 LEU 48 HD13 LEU 48 -2.030 -1.514 1.464 410 HD21 LEU 48 HD21 LEU 48 0.320 -1.453 4.381 411 HD22 LEU 48 HD22 LEU 48 0.876 -2.766 3.339 412 HD23 LEU 48 HD23 LEU 48 -0.001 -3.131 4.826 413 H ALA 49 H ALA 49 -5.165 -3.695 5.025 414 HA ALA 49 HA ALA 49 -4.374 -6.151 3.880 415 HB1 ALA 49 HB1 ALA 49 -6.763 -5.538 5.595 416 HB2 ALA 49 HB2 ALA 49 -5.155 -5.984 6.165 417 HB3 ALA 49 HB3 ALA 49 -6.115 -7.145 5.250 418 H ASP 50 H ASP 50 -6.806 -3.813 3.112 419 HA ASP 50 HA ASP 50 -8.550 -5.609 1.664 420 HB2 ASP 50 HB2 ASP 50 -9.395 -3.693 3.049 421 HB3 ASP 50 HB3 ASP 50 -8.678 -2.582 1.882 422 H ILE 51 H ILE 51 -5.745 -3.839 0.961 423 HA ILE 51 HA ILE 51 -6.407 -3.173 -1.768 424 HB ILE 51 HB ILE 51 -3.596 -3.284 -0.674 425 HG12 ILE 51 HG12 ILE 51 -4.939 -1.959 0.925 426 HG13 ILE 51 HG13 ILE 51 -3.785 -0.962 0.054 427 HG21 ILE 51 HG21 ILE 51 -3.834 -2.953 -3.073 428 HG22 ILE 51 HG22 ILE 51 -3.199 -1.498 -2.306 429 HG23 ILE 51 HG23 ILE 51 -4.892 -1.568 -2.794 430 HD11 ILE 51 HD11 ILE 51 -5.586 -0.148 -1.386 431 HD12 ILE 51 HD12 ILE 51 -5.900 0.181 0.318 432 HD13 ILE 51 HD13 ILE 51 -6.740 -1.142 -0.495 433 H ALA 52 H ALA 52 -6.553 -4.677 -3.279 434 HA ALA 52 HA ALA 52 -4.617 -6.886 -3.277 435 HB1 ALA 52 HB1 ALA 52 -6.795 -7.738 -2.557 436 HB2 ALA 52 HB2 ALA 52 -6.338 -8.390 -4.130 437 HB3 ALA 52 HB3 ALA 52 -7.535 -7.098 -4.026 438 H MET 53 H MET 53 -3.990 -7.641 -5.302 439 HA MET 53 HA MET 53 -4.505 -5.820 -7.554 440 HB2 MET 53 HB2 MET 53 -1.822 -7.004 -6.771 441 HB3 MET 53 HB3 MET 53 -2.130 -6.028 -8.198 442 HG2 MET 53 HG2 MET 53 -2.319 -5.113 -5.336 443 HG3 MET 53 HG3 MET 53 -1.034 -4.728 -6.480 444 HE1 MET 53 HE1 MET 53 -1.295 -2.172 -5.979 445 HE2 MET 53 HE2 MET 53 -2.582 -2.509 -4.822 446 HE3 MET 53 HE3 MET 53 -2.822 -1.292 -6.078 447 H TYR 54 H TYR 54 -5.236 -6.905 -9.243 448 HA TYR 54 HA TYR 54 -5.262 -9.791 -9.155 449 HB2 TYR 54 HB2 TYR 54 -6.540 -7.784 -11.010 450 HB3 TYR 54 HB3 TYR 54 -6.657 -9.524 -11.259 451 HD1 TYR 54 HD1 TYR 54 -7.560 -6.769 -8.944 452 HD2 TYR 54 HD2 TYR 54 -8.164 -10.843 -10.004 453 HE1 TYR 54 HE1 TYR 54 -9.493 -6.869 -7.432 454 HE2 TYR 54 HE2 TYR 54 -10.100 -10.952 -8.499 455 HH TYR 54 HH TYR 54 -10.893 -9.767 -6.449 456 H THR 55 H THR 55 -4.021 -11.114 -10.218 457 HA THR 55 HA THR 55 -2.229 -10.044 -12.307 458 HB THR 55 HB THR 55 -0.567 -11.752 -11.595 459 HG1 THR 55 HG1 THR 55 -2.364 -12.244 -9.431 460 HG21 THR 55 HG21 THR 55 0.100 -10.762 -9.451 461 HG22 THR 55 HG22 THR 55 -1.482 -9.993 -9.321 462 HG23 THR 55 HG23 THR 55 -0.381 -9.526 -10.617 463 H ASP 56 H ASP 56 -1.284 -12.288 -13.512 464 HA ASP 56 HA ASP 56 -3.336 -13.712 -14.772 465 HB2 ASP 56 HB2 ASP 56 -1.001 -13.620 -15.595 466 HB3 ASP 56 HB3 ASP 56 -0.488 -14.626 -14.250 467 H ALA 57 H ALA 57 -1.689 -14.234 -11.794 468 HA ALA 57 HA ALA 57 -3.034 -16.749 -11.196 469 HB1 ALA 57 HB1 ALA 57 -1.732 -16.664 -9.108 470 HB2 ALA 57 HB2 ALA 57 -1.129 -15.066 -9.553 471 HB3 ALA 57 HB3 ALA 57 -0.701 -16.473 -10.527 472 H GLU 58 H GLU 58 -3.437 -16.260 -8.404 473 HA GLU 58 HA GLU 58 -5.999 -15.105 -8.402 474 HB2 GLU 58 HB2 GLU 58 -4.187 -15.768 -6.076 475 HB3 GLU 58 HB3 GLU 58 -5.909 -15.434 -5.953 476 HG2 GLU 58 HG2 GLU 58 -4.643 -17.737 -7.424 477 HG3 GLU 58 HG3 GLU 58 -5.454 -17.825 -5.864 478 H GLU 59 H GLU 59 -6.525 -13.505 -6.432 479 HA GLU 59 HA GLU 59 -5.271 -11.026 -7.190 480 HB2 GLU 59 HB2 GLU 59 -6.923 -10.000 -5.580 481 HB3 GLU 59 HB3 GLU 59 -7.605 -10.812 -6.975 482 HG2 GLU 59 HG2 GLU 59 -8.291 -12.666 -5.656 483 HG3 GLU 59 HG3 GLU 59 -7.389 -12.082 -4.261 484 H VAL 60 H VAL 60 -3.397 -10.667 -6.399 485 HA VAL 60 HA VAL 60 -2.577 -11.790 -3.869 486 HB VAL 60 HB VAL 60 -0.986 -10.080 -5.811 487 HG11 VAL 60 HG11 VAL 60 -0.038 -10.182 -3.577 488 HG12 VAL 60 HG12 VAL 60 0.943 -11.078 -4.738 489 HG13 VAL 60 HG13 VAL 60 -0.120 -11.944 -3.628 490 HG21 VAL 60 HG21 VAL 60 -1.055 -13.059 -5.533 491 HG22 VAL 60 HG22 VAL 60 0.013 -12.131 -6.584 492 HG23 VAL 60 HG23 VAL 60 -1.731 -12.140 -6.878 493 HA PRO 61 HA PRO 61 -3.492 -7.970 -1.525 494 HB2 PRO 61 HB2 PRO 61 -1.449 -8.906 0.297 495 HB3 PRO 61 HB3 PRO 61 -3.170 -8.706 0.572 496 HG2 PRO 61 HG2 PRO 61 -1.715 -11.119 0.179 497 HG3 PRO 61 HG3 PRO 61 -3.450 -10.923 0.444 498 HD2 PRO 61 HD2 PRO 61 -2.150 -11.737 -1.923 499 HD3 PRO 61 HD3 PRO 61 -3.870 -11.370 -1.721 500 H LEU 62 H LEU 62 -2.339 -6.053 -1.196 501 HA LEU 62 HA LEU 62 -0.228 -5.647 -2.999 502 HB2 LEU 62 HB2 LEU 62 -1.797 -3.846 -2.296 503 HB3 LEU 62 HB3 LEU 62 -0.965 -3.776 -0.758 504 HG LEU 62 HG LEU 62 1.107 -3.093 -1.871 505 HD11 LEU 62 HD11 LEU 62 1.142 -2.585 -4.249 506 HD12 LEU 62 HD12 LEU 62 -0.507 -3.190 -4.413 507 HD13 LEU 62 HD13 LEU 62 0.798 -4.292 -3.971 508 HD21 LEU 62 HD21 LEU 62 -0.430 -1.357 -1.193 509 HD22 LEU 62 HD22 LEU 62 -1.260 -1.468 -2.746 510 HD23 LEU 62 HD23 LEU 62 0.413 -0.912 -2.678 511 H SER 63 H SER 63 -0.165 -6.505 0.370 512 HA SER 63 HA SER 63 2.389 -5.719 1.106 513 HB2 SER 63 HB2 SER 63 2.289 -7.773 2.619 514 HB3 SER 63 HB3 SER 63 0.995 -6.585 2.781 515 HG SER 63 HG SER 63 0.796 -9.174 2.184 516 H GLU 64 H GLU 64 1.434 -8.605 -0.769 517 HA GLU 64 HA GLU 64 4.085 -9.711 -0.743 518 HB2 GLU 64 HB2 GLU 64 1.782 -10.420 -2.554 519 HB3 GLU 64 HB3 GLU 64 3.205 -11.395 -2.240 520 HG2 GLU 64 HG2 GLU 64 2.474 -11.549 0.137 521 HG3 GLU 64 HG3 GLU 64 0.978 -10.746 -0.340 522 H VAL 65 H VAL 65 2.055 -8.066 -3.201 523 HA VAL 65 HA VAL 65 4.112 -8.230 -5.196 524 HB VAL 65 HB VAL 65 2.590 -6.640 -6.506 525 HG11 VAL 65 HG11 VAL 65 1.560 -9.305 -5.547 526 HG12 VAL 65 HG12 VAL 65 2.716 -9.046 -6.854 527 HG13 VAL 65 HG13 VAL 65 1.057 -8.471 -7.017 528 HG21 VAL 65 HG21 VAL 65 1.332 -5.716 -4.632 529 HG22 VAL 65 HG22 VAL 65 0.740 -7.327 -4.224 530 HG23 VAL 65 HG23 VAL 65 0.263 -6.573 -5.744 531 H LEU 66 H LEU 66 3.241 -5.684 -2.934 532 HA LEU 66 HA LEU 66 4.767 -3.510 -3.893 533 HB2 LEU 66 HB2 LEU 66 3.092 -3.502 -2.016 534 HB3 LEU 66 HB3 LEU 66 4.263 -4.339 -1.032 535 HG LEU 66 HG LEU 66 5.742 -2.275 -1.348 536 HD11 LEU 66 HD11 LEU 66 4.507 -0.213 -1.761 537 HD12 LEU 66 HD12 LEU 66 3.066 -1.152 -2.148 538 HD13 LEU 66 HD13 LEU 66 4.497 -1.267 -3.173 539 HD21 LEU 66 HD21 LEU 66 4.559 -1.128 0.476 540 HD22 LEU 66 HD22 LEU 66 4.670 -2.870 0.733 541 HD23 LEU 66 HD23 LEU 66 3.152 -2.156 0.182 542 H GLU 67 H GLU 67 5.524 -6.228 -1.802 543 HA GLU 67 HA GLU 67 8.202 -5.611 -1.187 544 HB2 GLU 67 HB2 GLU 67 6.794 -7.292 0.018 545 HB3 GLU 67 HB3 GLU 67 6.926 -8.349 -1.380 546 HG2 GLU 67 HG2 GLU 67 9.464 -8.115 -1.045 547 HG3 GLU 67 HG3 GLU 67 9.046 -7.509 0.548 548 H ALA 68 H ALA 68 6.739 -7.703 -3.666 549 HA ALA 68 HA ALA 68 9.061 -8.950 -4.561 550 HB1 ALA 68 HB1 ALA 68 6.792 -9.755 -4.964 551 HB2 ALA 68 HB2 ALA 68 7.747 -9.694 -6.448 552 HB3 ALA 68 HB3 ALA 68 6.539 -8.450 -6.118 553 H VAL 69 H VAL 69 7.506 -6.032 -5.924 554 HA VAL 69 HA VAL 69 9.309 -5.882 -8.138 555 HB VAL 69 HB VAL 69 8.350 -3.557 -8.474 556 HG11 VAL 69 HG11 VAL 69 6.165 -4.386 -9.189 557 HG12 VAL 69 HG12 VAL 69 6.417 -5.851 -8.239 558 HG13 VAL 69 HG13 VAL 69 7.460 -5.503 -9.617 559 HG21 VAL 69 HG21 VAL 69 7.719 -3.049 -6.170 560 HG22 VAL 69 HG22 VAL 69 6.565 -4.384 -6.182 561 HG23 VAL 69 HG23 VAL 69 6.312 -2.992 -7.234 562 H LYS 70 H LYS 70 9.171 -4.265 -5.008 563 HA LYS 70 HA LYS 70 11.336 -2.484 -5.485 564 HB2 LYS 70 HB2 LYS 70 9.423 -2.230 -3.811 565 HB3 LYS 70 HB3 LYS 70 10.313 -3.345 -2.790 566 HG2 LYS 70 HG2 LYS 70 10.803 -1.178 -2.008 567 HG3 LYS 70 HG3 LYS 70 12.236 -1.730 -2.867 568 HD2 LYS 70 HD2 LYS 70 10.188 -0.085 -4.308 569 HD3 LYS 70 HD3 LYS 70 11.334 0.702 -3.225 570 HE2 LYS 70 HE2 LYS 70 13.184 -0.353 -4.511 571 HE3 LYS 70 HE3 LYS 70 11.988 -0.992 -5.634 572 HZ1 LYS 70 HZ1 LYS 70 12.473 1.877 -5.092 573 HZ2 LYS 70 HZ2 LYS 70 11.344 1.261 -6.189 574 HZ3 LYS 70 HZ3 LYS 70 13.004 1.029 -6.456 575 H LYS 71 H LYS 71 11.097 -5.726 -4.247 576 HA LYS 71 HA LYS 71 13.548 -5.810 -2.791 577 HB2 LYS 71 HB2 LYS 71 11.460 -7.247 -2.470 578 HB3 LYS 71 HB3 LYS 71 12.005 -8.171 -3.857 579 HG2 LYS 71 HG2 LYS 71 12.622 -9.306 -1.836 580 HG3 LYS 71 HG3 LYS 71 14.080 -8.720 -2.638 581 HD2 LYS 71 HD2 LYS 71 14.067 -6.760 -1.120 582 HD3 LYS 71 HD3 LYS 71 12.687 -7.466 -0.275 583 HE2 LYS 71 HE2 LYS 71 14.780 -7.933 0.897 584 HE3 LYS 71 HE3 LYS 71 14.029 -9.416 0.308 585 HZ1 LYS 71 HZ1 LYS 71 16.235 -7.982 -1.076 586 HZ2 LYS 71 HZ2 LYS 71 15.568 -9.478 -1.517 587 HZ3 LYS 71 HZ3 LYS 71 16.448 -9.333 -0.076 588 H LYS 72 H LYS 72 12.680 -6.446 -6.116 589 HA LYS 72 HA LYS 72 14.927 -7.903 -6.986 590 HB2 LYS 72 HB2 LYS 72 12.711 -7.102 -8.231 591 HB3 LYS 72 HB3 LYS 72 13.723 -5.757 -8.705 592 HG2 LYS 72 HG2 LYS 72 14.255 -8.657 -9.327 593 HG3 LYS 72 HG3 LYS 72 13.573 -7.481 -10.435 594 HD2 LYS 72 HD2 LYS 72 16.351 -7.375 -9.252 595 HD3 LYS 72 HD3 LYS 72 15.947 -7.932 -10.873 596 HE2 LYS 72 HE2 LYS 72 15.290 -5.153 -9.904 597 HE3 LYS 72 HE3 LYS 72 16.834 -5.553 -10.648 598 HZ1 LYS 72 HZ1 LYS 72 14.145 -5.746 -11.880 599 HZ2 LYS 72 HZ2 LYS 72 15.564 -6.320 -12.612 600 HZ3 LYS 72 HZ3 LYS 72 15.387 -4.666 -12.289 601 H GLU 73 H GLU 73 14.316 -4.442 -6.765 602 HA GLU 73 HA GLU 73 16.725 -3.549 -7.930 603 HB2 GLU 73 HB2 GLU 73 14.602 -2.279 -7.809 604 HB3 GLU 73 HB3 GLU 73 14.818 -2.107 -6.072 605 HG2 GLU 73 HG2 GLU 73 17.048 -0.990 -6.680 606 HG3 GLU 73 HG3 GLU 73 16.362 -0.842 -8.301 607 H ASN 74 H ASN 74 15.734 -2.922 -4.557 608 HA ASN 74 HA ASN 74 18.135 -3.927 -3.392 609 HB2 ASN 74 HB2 ASN 74 18.891 -1.785 -4.565 610 HB3 ASN 74 HB3 ASN 74 17.911 -0.904 -3.400 611 HD21 ASN 74 HD21 ASN 74 20.706 -2.983 -3.812 612 HD22 ASN 74 HD22 ASN 74 21.477 -2.551 -2.326 613 H GLY 75 H GLY 75 14.963 -2.958 -3.208 614 HA2 GLY 75 HA2 GLY 75 13.477 -2.624 -1.501 615 HA3 GLY 75 HA3 GLY 75 14.738 -3.145 -0.392 616 H ALA 76 H ALA 76 14.488 -0.395 -2.620 617 HA ALA 76 HA ALA 76 15.476 1.369 -0.530 618 HB1 ALA 76 HB1 ALA 76 15.006 1.897 -3.460 619 HB2 ALA 76 HB2 ALA 76 16.545 1.444 -2.729 620 HB3 ALA 76 HB3 ALA 76 15.796 2.991 -2.327 621 H VAL 77 H VAL 77 14.459 3.762 -1.003 622 HA VAL 77 HA VAL 77 11.763 3.415 0.051 623 HB VAL 77 HB VAL 77 13.064 6.119 -0.077 624 HG11 VAL 77 HG11 VAL 77 11.492 4.700 2.064 625 HG12 VAL 77 HG12 VAL 77 10.862 5.888 0.921 626 HG13 VAL 77 HG13 VAL 77 12.055 6.370 2.127 627 HG21 VAL 77 HG21 VAL 77 14.922 4.687 0.628 628 HG22 VAL 77 HG22 VAL 77 13.913 4.005 1.906 629 HG23 VAL 77 HG23 VAL 77 14.362 5.710 1.952 630 H ALA 78 H ALA 78 12.776 3.498 -2.895 631 HA ALA 78 HA ALA 78 12.012 3.878 -4.953 632 HB1 ALA 78 HB1 ALA 78 9.723 4.457 -5.384 633 HB2 ALA 78 HB2 ALA 78 9.507 4.995 -3.718 634 HB3 ALA 78 HB3 ALA 78 9.801 3.290 -4.064 635 H SER 79 H SER 79 10.359 6.670 -3.556 636 HA SER 79 HA SER 79 10.620 8.909 -3.719 637 HB2 SER 79 HB2 SER 79 13.535 8.265 -4.239 638 HB3 SER 79 HB3 SER 79 12.890 9.831 -3.745 639 HG SER 79 HG SER 79 12.941 7.411 -2.266 640 H ILE 80 H ILE 80 10.007 7.323 -6.127 641 HA ILE 80 HA ILE 80 11.199 8.590 -8.397 642 HB ILE 80 HB ILE 80 10.402 6.318 -8.593 643 HG12 ILE 80 HG12 ILE 80 8.622 8.109 -10.267 644 HG13 ILE 80 HG13 ILE 80 10.272 7.642 -10.661 645 HG21 ILE 80 HG21 ILE 80 7.654 7.351 -7.960 646 HG22 ILE 80 HG22 ILE 80 8.660 6.316 -6.947 647 HG23 ILE 80 HG23 ILE 80 8.035 5.709 -8.481 648 HD11 ILE 80 HD11 ILE 80 9.567 5.308 -10.859 649 HD12 ILE 80 HD12 ILE 80 8.640 6.351 -11.939 650 HD13 ILE 80 HD13 ILE 80 7.915 5.766 -10.439 651 H ASN 81 H ASN 81 8.571 9.281 -6.308 652 HA ASN 81 HA ASN 81 7.089 10.926 -6.030 653 HB2 ASN 81 HB2 ASN 81 9.190 12.320 -6.409 654 HB3 ASN 81 HB3 ASN 81 8.596 12.592 -8.040 655 HD21 ASN 81 HD21 ASN 81 9.100 14.454 -5.870 656 HD22 ASN 81 HD22 ASN 81 7.611 15.302 -5.608 657 H TYR 82 H TYR 82 5.339 10.087 -6.698 658 HA TYR 82 HA TYR 82 4.624 9.413 -9.327 659 HB2 TYR 82 HB2 TYR 82 2.422 8.874 -8.328 660 HB3 TYR 82 HB3 TYR 82 3.765 8.188 -7.432 661 HD1 TYR 82 HD1 TYR 82 4.495 9.440 -5.269 662 HD2 TYR 82 HD2 TYR 82 0.792 10.136 -7.240 663 HE1 TYR 82 HE1 TYR 82 3.582 10.403 -3.209 664 HE2 TYR 82 HE2 TYR 82 -0.125 11.103 -5.184 665 HH TYR 82 HH TYR 82 0.261 11.015 -2.791 666 H LYS 83 H LYS 83 4.155 12.323 -7.494 667 HA LYS 83 HA LYS 83 1.910 13.351 -8.894 668 HB2 LYS 83 HB2 LYS 83 3.986 14.811 -7.262 669 HB3 LYS 83 HB3 LYS 83 2.439 15.473 -7.770 670 HG2 LYS 83 HG2 LYS 83 1.269 13.832 -6.417 671 HG3 LYS 83 HG3 LYS 83 2.803 13.099 -5.949 672 HD2 LYS 83 HD2 LYS 83 1.979 15.940 -5.348 673 HD3 LYS 83 HD3 LYS 83 1.884 14.596 -4.209 674 HE2 LYS 83 HE2 LYS 83 4.294 14.314 -4.298 675 HE3 LYS 83 HE3 LYS 83 4.419 15.581 -5.518 676 HZ1 LYS 83 HZ1 LYS 83 4.984 16.419 -3.339 677 HZ2 LYS 83 HZ2 LYS 83 3.477 15.946 -2.726 678 HZ3 LYS 83 HZ3 LYS 83 3.571 17.164 -3.901 679 H LYS 84 H LYS 84 5.318 13.355 -9.644 680 HA LYS 84 HA LYS 84 4.640 15.011 -11.957 681 HB2 LYS 84 HB2 LYS 84 6.977 15.950 -11.905 682 HB3 LYS 84 HB3 LYS 84 5.895 16.498 -10.641 683 HG2 LYS 84 HG2 LYS 84 7.783 16.159 -9.423 684 HG3 LYS 84 HG3 LYS 84 7.051 14.562 -9.278 685 HD2 LYS 84 HD2 LYS 84 8.462 13.687 -10.999 686 HD3 LYS 84 HD3 LYS 84 9.084 15.292 -11.376 687 HE2 LYS 84 HE2 LYS 84 10.126 15.404 -9.175 688 HE3 LYS 84 HE3 LYS 84 9.484 13.806 -8.788 689 HZ1 LYS 84 HZ1 LYS 84 10.762 12.906 -10.641 690 HZ2 LYS 84 HZ2 LYS 84 11.770 13.651 -9.501 691 HZ3 LYS 84 HZ3 LYS 84 11.406 14.438 -10.957 692 H ALA 85 H ALA 85 5.142 11.997 -11.291 693 HA ALA 85 HA ALA 85 6.781 11.527 -13.697 694 HB1 ALA 85 HB1 ALA 85 6.116 9.595 -11.470 695 HB2 ALA 85 HB2 ALA 85 7.665 10.400 -11.724 696 HB3 ALA 85 HB3 ALA 85 7.078 9.226 -12.902 697 H SER 86 H SER 86 5.981 10.166 -15.300 698 HA SER 86 HA SER 86 3.244 10.563 -15.871 699 HB2 SER 86 HB2 SER 86 4.950 10.552 -17.611 700 HB3 SER 86 HB3 SER 86 5.347 8.875 -17.256 701 HG SER 86 HG SER 86 4.012 9.002 -19.071 702 H ALA 87 H ALA 87 1.589 9.098 -16.227 703 HA ALA 87 HA ALA 87 1.219 7.041 -14.349 704 HB1 ALA 87 HB1 ALA 87 -0.322 7.494 -16.900 705 HB2 ALA 87 HB2 ALA 87 -0.620 8.305 -15.362 706 HB3 ALA 87 HB3 ALA 87 -0.857 6.564 -15.499 707 H ASP 88 H ASP 88 2.365 6.918 -17.672 708 HA ASP 88 HA ASP 88 2.201 4.074 -17.965 709 HB2 ASP 88 HB2 ASP 88 2.260 5.653 -19.896 710 HB3 ASP 88 HB3 ASP 88 3.929 6.039 -19.496 711 H GLU 89 H GLU 89 4.602 6.334 -16.815 712 HA GLU 89 HA GLU 89 6.803 4.576 -16.591 713 HB2 GLU 89 HB2 GLU 89 6.140 7.038 -14.967 714 HB3 GLU 89 HB3 GLU 89 7.691 6.215 -14.960 715 HG2 GLU 89 HG2 GLU 89 6.420 7.595 -17.309 716 HG3 GLU 89 HG3 GLU 89 7.748 8.217 -16.330 717 H LEU 90 H LEU 90 4.198 5.457 -14.381 718 HA LEU 90 HA LEU 90 5.170 3.978 -12.156 719 HB2 LEU 90 HB2 LEU 90 2.770 5.540 -12.791 720 HB3 LEU 90 HB3 LEU 90 2.563 4.281 -11.587 721 HG LEU 90 HG LEU 90 4.446 5.266 -10.289 722 HD11 LEU 90 HD11 LEU 90 5.188 7.528 -10.765 723 HD12 LEU 90 HD12 LEU 90 4.233 7.547 -12.246 724 HD13 LEU 90 HD13 LEU 90 5.601 6.445 -12.094 725 HD21 LEU 90 HD21 LEU 90 2.176 5.745 -9.703 726 HD22 LEU 90 HD22 LEU 90 2.109 7.049 -10.890 727 HD23 LEU 90 HD23 LEU 90 3.165 7.189 -9.483 728 H HIS 91 H HIS 91 2.955 3.220 -14.804 729 HA HIS 91 HA HIS 91 1.981 0.793 -13.695 730 HB2 HIS 91 HB2 HIS 91 0.902 2.204 -15.510 731 HB3 HIS 91 HB3 HIS 91 2.119 1.587 -16.615 732 HD1 HIS 91 HD1 HIS 91 -0.980 0.572 -14.766 733 HD2 HIS 91 HD2 HIS 91 1.678 -1.012 -17.537 734 HE1 HIS 91 HE1 HIS 91 -2.083 -1.511 -15.648 735 HE2 HIS 91 HE2 HIS 91 -0.529 -2.350 -17.442 736 H ALA 92 H ALA 92 4.714 1.632 -15.772 737 HA ALA 92 HA ALA 92 5.573 -1.067 -16.226 738 HB1 ALA 92 HB1 ALA 92 7.549 -0.071 -17.225 739 HB2 ALA 92 HB2 ALA 92 7.097 1.509 -16.583 740 HB3 ALA 92 HB3 ALA 92 6.089 0.732 -17.805 741 H TYR 93 H TYR 93 6.031 1.267 -13.747 742 HA TYR 93 HA TYR 93 8.415 0.299 -12.561 743 HB2 TYR 93 HB2 TYR 93 7.136 2.535 -12.244 744 HB3 TYR 93 HB3 TYR 93 6.162 1.644 -11.087 745 HD1 TYR 93 HD2 TYR 93 9.716 2.434 -11.860 746 HD2 TYR 93 HD1 TYR 93 6.808 1.630 -8.868 747 HE1 TYR 93 HE2 TYR 93 11.368 2.973 -10.125 748 HE2 TYR 93 HE1 TYR 93 8.451 2.173 -7.123 749 HH TYR 93 HH TYR 93 11.425 3.706 -7.815 750 H PHE 94 H PHE 94 4.967 -0.388 -12.045 751 HA PHE 94 HA PHE 94 5.453 -2.437 -10.074 752 HB2 PHE 94 HB2 PHE 94 3.369 -1.022 -10.203 753 HB3 PHE 94 HB3 PHE 94 2.920 -1.940 -11.632 754 HD1 PHE 94 HD1 PHE 94 3.778 -2.354 -8.040 755 HD2 PHE 94 HD2 PHE 94 1.719 -3.904 -11.418 756 HE1 PHE 94 HE1 PHE 94 2.709 -4.045 -6.612 757 HE2 PHE 94 HE2 PHE 94 0.648 -5.594 -9.999 758 HZ PHE 94 HZ PHE 94 1.142 -5.667 -7.595 759 H ALA 95 H ALA 95 5.230 -2.264 -13.532 760 HA ALA 95 HA ALA 95 4.831 -5.103 -13.917 761 HB1 ALA 95 HB1 ALA 95 5.538 -2.965 -15.922 762 HB2 ALA 95 HB2 ALA 95 3.904 -3.471 -15.492 763 HB3 ALA 95 HB3 ALA 95 4.995 -4.605 -16.289 764 H GLU 96 H GLU 96 7.269 -3.891 -12.539 765 HA GLU 96 HA GLU 96 9.577 -4.350 -14.080 766 HB2 GLU 96 HB2 GLU 96 9.052 -3.158 -11.715 767 HB3 GLU 96 HB3 GLU 96 9.643 -4.703 -11.127 768 HG2 GLU 96 HG2 GLU 96 11.140 -2.860 -12.965 769 HG3 GLU 96 HG3 GLU 96 11.382 -2.982 -11.225 770 H VAL 97 H VAL 97 8.312 -6.305 -11.347 771 HA VAL 97 HA VAL 97 9.640 -8.638 -12.510 772 HB VAL 97 HB VAL 97 9.407 -9.761 -10.397 773 HG11 VAL 97 HG11 VAL 97 11.302 -8.284 -10.606 774 HG12 VAL 97 HG12 VAL 97 10.720 -8.306 -8.941 775 HG13 VAL 97 HG13 VAL 97 10.347 -6.936 -9.988 776 HG21 VAL 97 HG21 VAL 97 7.881 -7.355 -9.408 777 HG22 VAL 97 HG22 VAL 97 8.388 -8.732 -8.429 778 HG23 VAL 97 HG23 VAL 97 7.207 -8.956 -9.720 779 H LEU 98 H LEU 98 6.710 -7.210 -12.687 780 HA LEU 98 HA LEU 98 5.296 -9.769 -12.972 781 HB2 LEU 98 HB2 LEU 98 4.201 -7.150 -11.926 782 HB3 LEU 98 HB3 LEU 98 3.228 -8.565 -12.279 783 HG LEU 98 HG LEU 98 5.441 -8.536 -10.225 784 HD11 LEU 98 HD11 LEU 98 3.668 -8.398 -8.559 785 HD12 LEU 98 HD12 LEU 98 2.474 -8.217 -9.844 786 HD13 LEU 98 HD13 LEU 98 3.694 -6.967 -9.591 787 HD21 LEU 98 HD21 LEU 98 3.187 -10.475 -10.734 788 HD22 LEU 98 HD22 LEU 98 4.374 -10.587 -9.434 789 HD23 LEU 98 HD23 LEU 98 4.887 -10.745 -11.115 790 HA PRO 99 HA PRO 99 4.514 -7.706 -16.972 791 HB2 PRO 99 HB2 PRO 99 5.301 -9.663 -18.605 792 HB3 PRO 99 HB3 PRO 99 6.471 -8.593 -17.827 793 HG2 PRO 99 HG2 PRO 99 5.761 -11.408 -17.180 794 HG3 PRO 99 HG3 PRO 99 7.325 -10.586 -17.060 795 HD2 PRO 99 HD2 PRO 99 5.504 -11.063 -14.964 796 HD3 PRO 99 HD3 PRO 99 6.924 -10.002 -14.907 797 H ASN 100 H ASN 100 3.161 -10.057 -15.176 798 HA ASN 100 HA ASN 100 1.398 -11.117 -17.270 799 HB2 ASN 100 HB2 ASN 100 1.190 -13.147 -15.949 800 HB3 ASN 100 HB3 ASN 100 2.884 -12.798 -16.244 801 HD21 ASN 100 HD21 ASN 100 1.630 -14.446 -14.207 802 HD22 ASN 100 HD22 ASN 100 2.181 -13.834 -12.684 803 H TYR 101 H TYR 101 1.323 -8.894 -14.855 804 HA TYR 101 HA TYR 101 -1.131 -9.753 -13.595 805 HB2 TYR 101 HB2 TYR 101 -0.935 -7.929 -12.129 806 HB3 TYR 101 HB3 TYR 101 0.713 -8.446 -12.417 807 HD1 TYR 101 HD1 TYR 101 2.022 -7.064 -14.242 808 HD2 TYR 101 HD2 TYR 101 -1.482 -5.716 -12.264 809 HE1 TYR 101 HE1 TYR 101 2.644 -4.730 -14.734 810 HE2 TYR 101 HE2 TYR 101 -0.879 -3.390 -12.762 811 HH TYR 101 HH TYR 101 1.727 -2.594 -14.883 812 H ASP 102 H ASP 102 -3.037 -8.275 -13.501 813 HA ASP 102 HA ASP 102 -4.001 -7.946 -16.183 814 HB2 ASP 102 HB2 ASP 102 -5.250 -8.817 -14.085 815 HB3 ASP 102 HB3 ASP 102 -5.457 -7.124 -13.667 816 H ARG 103 H ARG 103 -5.371 -5.847 -16.668 817 HA ARG 103 HA ARG 103 -3.827 -3.506 -15.761 818 HB2 ARG 103 HB2 ARG 103 -3.980 -2.582 -18.042 819 HB3 ARG 103 HB3 ARG 103 -3.079 -4.089 -17.980 820 HG2 ARG 103 HG2 ARG 103 -5.274 -5.213 -18.673 821 HG3 ARG 103 HG3 ARG 103 -5.813 -3.587 -19.097 822 HD2 ARG 103 HD2 ARG 103 -4.907 -4.645 -21.057 823 HD3 ARG 103 HD3 ARG 103 -3.819 -3.355 -20.544 824 HE ARG 103 HE ARG 103 -3.279 -6.129 -19.732 825 HH11 ARG 103 HH11 ARG 103 -2.309 -3.287 -21.562 826 HH12 ARG 103 HH12 ARG 103 -0.696 -3.865 -21.831 827 HH21 ARG 103 HH21 ARG 103 -1.180 -6.886 -20.103 828 HH22 ARG 103 HH22 ARG 103 -0.053 -5.909 -21.003 829 H ASP 104 H ASP 104 -6.822 -4.923 -15.954 830 HA ASP 104 HA ASP 104 -8.278 -2.380 -16.097 831 HB2 ASP 104 HB2 ASP 104 -9.072 -4.127 -17.600 832 HB3 ASP 104 HB3 ASP 104 -9.223 -5.256 -16.259 833 H ARG 105 H ARG 105 -8.136 -5.360 -14.164 834 HA ARG 105 HA ARG 105 -9.868 -4.301 -12.115 835 HB2 ARG 105 HB2 ARG 105 -8.205 -6.819 -12.043 836 HB3 ARG 105 HB3 ARG 105 -9.596 -6.445 -11.039 837 HG2 ARG 105 HG2 ARG 105 -10.941 -6.377 -13.193 838 HG3 ARG 105 HG3 ARG 105 -9.535 -7.118 -13.962 839 HD2 ARG 105 HD2 ARG 105 -9.652 -8.966 -12.337 840 HD3 ARG 105 HD3 ARG 105 -11.086 -8.231 -11.627 841 HE ARG 105 HE ARG 105 -10.905 -9.680 -14.132 842 HH11 ARG 105 HH11 ARG 105 -12.877 -7.483 -12.205 843 HH12 ARG 105 HH12 ARG 105 -14.369 -8.021 -12.906 844 HH21 ARG 105 HH21 ARG 105 -12.857 -10.380 -15.011 845 HH22 ARG 105 HH22 ARG 105 -14.355 -9.666 -14.496 846 H VAL 106 H VAL 106 -6.493 -4.317 -12.663 847 HA VAL 106 HA VAL 106 -5.698 -4.061 -9.907 848 HB VAL 106 HB VAL 106 -4.315 -5.068 -11.808 849 HG11 VAL 106 HG11 VAL 106 -4.578 -3.344 -13.465 850 HG12 VAL 106 HG12 VAL 106 -2.871 -3.539 -13.066 851 HG13 VAL 106 HG13 VAL 106 -3.780 -2.171 -12.419 852 HG21 VAL 106 HG21 VAL 106 -3.026 -3.005 -10.039 853 HG22 VAL 106 HG22 VAL 106 -2.188 -4.313 -10.872 854 HG23 VAL 106 HG23 VAL 106 -3.374 -4.682 -9.620 855 H HIS 107 H HIS 107 -6.851 -2.008 -12.376 856 HA HIS 107 HA HIS 107 -7.348 0.163 -12.613 857 HB2 HIS 107 HB2 HIS 107 -6.565 0.520 -9.703 858 HB3 HIS 107 HB3 HIS 107 -7.462 1.673 -10.681 859 HD1 HIS 107 HD1 HIS 107 -8.069 -0.527 -8.094 860 HD2 HIS 107 HD2 HIS 107 -9.927 0.043 -11.771 861 HE1 HIS 107 HE1 HIS 107 -10.370 -1.518 -7.848 862 HE2 HIS 107 HE2 HIS 107 -11.369 -1.377 -10.152 863 H ASN 108 H ASN 108 -6.354 2.486 -12.412 864 HA ASN 108 HA ASN 108 -3.447 2.219 -12.775 865 HB2 ASN 108 HB2 ASN 108 -3.463 4.223 -14.112 866 HB3 ASN 108 HB3 ASN 108 -4.717 3.152 -14.710 867 HD21 ASN 108 HD21 ASN 108 -4.351 6.028 -15.002 868 HD22 ASN 108 HD22 ASN 108 -5.805 6.763 -14.422 869 H GLY 109 H GLY 109 -5.786 3.350 -10.652 870 HA2 GLY 109 HA2 GLY 109 -4.214 5.497 -9.512 871 HA3 GLY 109 HA3 GLY 109 -5.817 4.981 -9.008 872 H ASP 110 H ASP 110 -4.940 2.137 -8.762 873 HA ASP 110 HA ASP 110 -4.048 2.312 -6.047 874 HB2 ASP 110 HB2 ASP 110 -4.790 0.039 -7.844 875 HB3 ASP 110 HB3 ASP 110 -3.973 -0.284 -6.315 876 H ILE 111 H ILE 111 -2.498 1.653 -9.075 877 HA ILE 111 HA ILE 111 0.006 0.823 -7.944 878 HB ILE 111 HB ILE 111 -0.530 1.931 -10.713 879 HG12 ILE 111 HG12 ILE 111 -1.991 0.021 -10.365 880 HG13 ILE 111 HG13 ILE 111 -0.688 -0.440 -11.450 881 HG21 ILE 111 HG21 ILE 111 1.824 1.897 -10.158 882 HG22 ILE 111 HG22 ILE 111 1.460 0.681 -11.383 883 HG23 ILE 111 HG23 ILE 111 1.711 0.196 -9.706 884 HD11 ILE 111 HD11 ILE 111 0.439 -1.585 -9.605 885 HD12 ILE 111 HD12 ILE 111 -1.189 -2.212 -9.868 886 HD13 ILE 111 HD13 ILE 111 -0.872 -1.120 -8.518 887 H LYS 112 H LYS 112 -1.538 3.804 -8.785 888 HA LYS 112 HA LYS 112 0.773 5.476 -8.844 889 HB2 LYS 112 HB2 LYS 112 -1.796 5.646 -9.717 890 HB3 LYS 112 HB3 LYS 112 -1.873 6.655 -8.285 891 HG2 LYS 112 HG2 LYS 112 0.281 7.100 -10.298 892 HG3 LYS 112 HG3 LYS 112 -1.358 7.703 -10.597 893 HD2 LYS 112 HD2 LYS 112 -1.257 8.822 -8.364 894 HD3 LYS 112 HD3 LYS 112 0.444 8.362 -8.280 895 HE2 LYS 112 HE2 LYS 112 0.322 10.617 -9.064 896 HE3 LYS 112 HE3 LYS 112 0.812 9.592 -10.410 897 HZ1 LYS 112 HZ1 LYS 112 -1.440 9.645 -11.246 898 HZ2 LYS 112 HZ2 LYS 112 -0.854 11.226 -11.057 899 HZ3 LYS 112 HZ3 LYS 112 -1.941 10.583 -9.926 900 H LYS 113 H LYS 113 -1.625 4.623 -6.390 901 HA LYS 113 HA LYS 113 -0.650 6.499 -4.427 902 HB2 LYS 113 HB2 LYS 113 -2.308 5.489 -2.940 903 HB3 LYS 113 HB3 LYS 113 -3.025 5.846 -4.506 904 HG2 LYS 113 HG2 LYS 113 -2.734 3.481 -5.144 905 HG3 LYS 113 HG3 LYS 113 -2.102 3.145 -3.537 906 HD2 LYS 113 HD2 LYS 113 -4.386 2.479 -3.569 907 HD3 LYS 113 HD3 LYS 113 -4.283 3.951 -2.607 908 HE2 LYS 113 HE2 LYS 113 -5.236 5.253 -4.319 909 HE3 LYS 113 HE3 LYS 113 -4.987 3.990 -5.524 910 HZ1 LYS 113 HZ1 LYS 113 -7.296 4.111 -4.843 911 HZ2 LYS 113 HZ2 LYS 113 -6.859 3.840 -3.227 912 HZ3 LYS 113 HZ3 LYS 113 -6.613 2.626 -4.386 913 H LEU 114 H LEU 114 0.232 3.370 -5.426 914 HA LEU 114 HA LEU 114 1.172 2.291 -2.974 915 HB2 LEU 114 HB2 LEU 114 0.819 0.551 -4.336 916 HB3 LEU 114 HB3 LEU 114 0.958 1.531 -5.770 917 HG LEU 114 HG LEU 114 3.428 0.518 -4.373 918 HD11 LEU 114 HD11 LEU 114 1.977 -1.402 -4.727 919 HD12 LEU 114 HD12 LEU 114 3.356 -1.429 -5.827 920 HD13 LEU 114 HD13 LEU 114 1.766 -0.941 -6.416 921 HD21 LEU 114 HD21 LEU 114 4.301 0.588 -6.685 922 HD22 LEU 114 HD22 LEU 114 3.754 2.168 -6.118 923 HD23 LEU 114 HD23 LEU 114 2.748 1.234 -7.228 924 H ILE 115 H ILE 115 2.479 4.545 -5.205 925 HA ILE 115 HA ILE 115 5.255 4.288 -4.667 926 HB ILE 115 HB ILE 115 3.718 6.770 -5.474 927 HG12 ILE 115 HG12 ILE 115 3.315 4.947 -7.057 928 HG13 ILE 115 HG13 ILE 115 4.293 6.205 -7.793 929 HG21 ILE 115 HG21 ILE 115 6.655 6.120 -5.697 930 HG22 ILE 115 HG22 ILE 115 5.908 7.354 -4.681 931 HG23 ILE 115 HG23 ILE 115 5.870 7.519 -6.438 932 HD11 ILE 115 HD11 ILE 115 5.039 3.981 -8.434 933 HD12 ILE 115 HD12 ILE 115 5.311 3.574 -6.737 934 HD13 ILE 115 HD13 ILE 115 6.282 4.827 -7.510 935 H SER 116 H SER 116 2.667 6.206 -3.209 936 HA SER 116 HA SER 116 4.185 7.669 -1.335 937 HB2 SER 116 HB2 SER 116 1.370 6.727 -0.849 938 HB3 SER 116 HB3 SER 116 2.110 8.255 -0.374 939 HG SER 116 HG SER 116 1.700 9.054 -2.284 940 H TRP 117 H TRP 117 2.814 4.472 -1.355 941 HA TRP 117 HA TRP 117 3.250 4.063 1.468 942 HB2 TRP 117 HB2 TRP 117 2.253 2.046 -0.543 943 HB3 TRP 117 HB3 TRP 117 2.144 1.950 1.209 944 HD1 TRP 117 HD1 TRP 117 1.089 5.309 0.947 945 HE1 TRP 117 HE1 TRP 117 -1.439 5.582 0.561 946 HE3 TRP 117 HE3 TRP 117 -0.007 0.567 -0.533 947 HZ2 TRP 117 HZ2 TRP 117 -3.611 3.969 -0.232 948 HZ3 TRP 117 HZ3 TRP 117 -2.332 0.009 -1.064 949 HH2 TRP 117 HH2 TRP 117 -4.095 1.669 -0.917 950 H TYR 118 H TYR 118 5.087 3.578 -1.423 951 HA TYR 118 HA TYR 118 6.920 1.666 -0.334 952 HB2 TYR 118 HB2 TYR 118 7.323 3.898 -2.315 953 HB3 TYR 118 HB3 TYR 118 8.627 2.854 -1.799 954 HD1 TYR 118 HD1 TYR 118 7.399 0.160 -1.947 955 HD2 TYR 118 HD2 TYR 118 7.000 3.545 -4.484 956 HE1 TYR 118 HE1 TYR 118 7.004 -1.323 -3.871 957 HE2 TYR 118 HE2 TYR 118 6.589 2.092 -6.389 958 HH TYR 118 HH TYR 118 5.876 -1.167 -6.103 959 H ASN 119 H ASN 119 6.679 5.158 -0.384 960 HA ASN 119 HA ASN 119 9.242 5.642 0.725 961 HB2 ASN 119 HB2 ASN 119 7.914 7.159 -0.799 962 HB3 ASN 119 HB3 ASN 119 6.947 7.595 0.607 963 HD21 ASN 119 HD21 ASN 119 10.228 7.479 -0.620 964 HD22 ASN 119 HD22 ASN 119 10.810 8.854 0.257 965 H ILE 120 H ILE 120 6.027 5.514 2.166 966 HA ILE 120 HA ILE 120 7.064 6.232 4.757 967 HB ILE 120 HB ILE 120 4.317 5.313 3.909 968 HG12 ILE 120 HG12 ILE 120 5.380 8.023 4.747 969 HG13 ILE 120 HG13 ILE 120 5.155 7.514 3.081 970 HG21 ILE 120 HG21 ILE 120 5.202 6.360 6.607 971 HG22 ILE 120 HG22 ILE 120 4.714 4.702 6.258 972 HG23 ILE 120 HG23 ILE 120 3.540 6.012 6.123 973 HD11 ILE 120 HD11 ILE 120 2.990 7.850 5.137 974 HD12 ILE 120 HD12 ILE 120 2.754 7.326 3.471 975 HD13 ILE 120 HD13 ILE 120 3.354 8.950 3.807 976 H LEU 121 H LEU 121 6.059 3.200 3.161 977 HA LEU 121 HA LEU 121 6.106 1.716 5.604 978 HB2 LEU 121 HB2 LEU 121 5.544 1.042 2.788 979 HB3 LEU 121 HB3 LEU 121 6.111 -0.266 3.804 980 HG LEU 121 HG LEU 121 4.219 0.167 5.358 981 HD11 LEU 121 HD11 LEU 121 2.347 1.542 4.628 982 HD12 LEU 121 HD12 LEU 121 3.283 2.078 3.232 983 HD13 LEU 121 HD13 LEU 121 3.806 2.506 4.861 984 HD21 LEU 121 HD21 LEU 121 2.489 -0.773 3.919 985 HD22 LEU 121 HD22 LEU 121 4.052 -1.551 3.665 986 HD23 LEU 121 HD23 LEU 121 3.457 -0.370 2.500 987 H VAL 122 H VAL 122 8.229 1.610 2.751 988 HA VAL 122 HA VAL 122 9.953 -0.391 3.783 989 HB VAL 122 HB VAL 122 10.481 1.674 1.621 990 HG11 VAL 122 HG11 VAL 122 12.554 0.648 2.386 991 HG12 VAL 122 HG12 VAL 122 12.156 0.151 0.743 992 HG13 VAL 122 HG13 VAL 122 11.879 -0.954 2.093 993 HG21 VAL 122 HG21 VAL 122 9.424 -1.139 1.401 994 HG22 VAL 122 HG22 VAL 122 9.835 -0.088 0.043 995 HG23 VAL 122 HG23 VAL 122 8.516 0.347 1.130 996 H ASN 123 H ASN 123 9.862 3.032 4.142 997 HA ASN 123 HA ASN 123 12.494 3.714 4.693 998 HB2 ASN 123 HB2 ASN 123 10.640 5.263 4.206 999 HB3 ASN 123 HB3 ASN 123 9.973 4.929 5.798 1000 HD21 ASN 123 HD21 ASN 123 12.803 6.152 4.142 1001 HD22 ASN 123 HD22 ASN 123 13.291 7.236 5.396 1002 H ASN 124 H ASN 124 9.943 2.842 7.017 1003 HA ASN 124 HA ASN 124 12.000 2.746 9.121 1004 HB2 ASN 124 HB2 ASN 124 8.982 2.891 9.370 1005 HB3 ASN 124 HB3 ASN 124 10.100 2.788 10.726 1006 HD21 ASN 124 HD21 ASN 124 8.644 4.833 8.384 1007 HD22 ASN 124 HD22 ASN 124 9.376 6.315 8.905 1008 H GLY 125 H GLY 125 10.400 0.847 7.015 1009 HA2 GLY 125 HA2 GLY 125 10.308 -1.469 6.820 1010 HA3 GLY 125 HA3 GLY 125 10.814 -1.604 8.496 1011 H ILE 126 H ILE 126 8.488 0.448 8.938 1012 HA ILE 126 HA ILE 126 6.442 0.423 9.862 1013 HB ILE 126 HB ILE 126 6.036 -1.361 7.501 1014 HG12 ILE 126 HG12 ILE 126 6.397 1.048 7.231 1015 HG13 ILE 126 HG13 ILE 126 4.830 0.519 6.643 1016 HG21 ILE 126 HG21 ILE 126 3.601 -1.282 7.784 1017 HG22 ILE 126 HG22 ILE 126 3.816 -0.583 9.390 1018 HG23 ILE 126 HG23 ILE 126 4.384 -2.223 9.056 1019 HD11 ILE 126 HD11 ILE 126 5.352 1.958 9.231 1020 HD12 ILE 126 HD12 ILE 126 3.774 1.424 8.653 1021 HD13 ILE 126 HD13 ILE 126 4.669 2.654 7.762 1022 H THR 127 H THR 127 6.399 -3.016 9.076 1023 HA THR 127 HA THR 127 6.916 -3.826 11.793 1024 HB THR 127 HB THR 127 4.300 -4.749 10.563 1025 HG1 THR 127 HG1 THR 127 4.821 -2.389 11.907 1026 HG21 THR 127 HG21 THR 127 5.290 -6.173 12.296 1027 HG22 THR 127 HG22 THR 127 3.790 -5.440 12.864 1028 HG23 THR 127 HG23 THR 127 5.343 -4.797 13.401 1029 H GLU 128 H GLU 128 5.286 -5.012 8.861 1030 HA GLU 128 HA GLU 128 7.401 -6.404 7.757 1031 HB2 GLU 128 HB2 GLU 128 6.680 -8.745 8.162 1032 HB3 GLU 128 HB3 GLU 128 7.397 -7.953 9.550 1033 HG2 GLU 128 HG2 GLU 128 5.110 -7.549 10.428 1034 HG3 GLU 128 HG3 GLU 128 4.471 -8.481 9.076 1035 H PHE 129 H PHE 129 7.003 -6.929 5.822 1036 HA PHE 129 HA PHE 129 4.562 -7.819 4.661 1037 HB2 PHE 129 HB2 PHE 129 4.302 -5.889 3.051 1038 HB3 PHE 129 HB3 PHE 129 3.886 -5.470 4.707 1039 HD1 PHE 129 HD1 PHE 129 5.642 -4.290 6.089 1040 HD2 PHE 129 HD2 PHE 129 5.875 -4.557 1.843 1041 HE1 PHE 129 HE1 PHE 129 7.207 -2.457 6.097 1042 HE2 PHE 129 HE2 PHE 129 7.482 -2.683 1.835 1043 HZ PHE 129 HZ PHE 129 8.150 -1.627 3.953 1044 H VAL 130 H VAL 130 7.489 -8.170 5.055 1045 HA VAL 130 HA VAL 130 8.451 -8.621 2.382 1046 HB VAL 130 HB VAL 130 9.051 -6.264 2.742 1047 HG11 VAL 130 HG11 VAL 130 10.572 -5.550 4.526 1048 HG12 VAL 130 HG12 VAL 130 10.466 -7.158 5.243 1049 HG13 VAL 130 HG13 VAL 130 9.029 -6.139 5.148 1050 HG21 VAL 130 HG21 VAL 130 11.474 -6.336 2.439 1051 HG22 VAL 130 HG22 VAL 130 10.670 -7.593 1.499 1052 HG23 VAL 130 HG23 VAL 130 11.500 -8.009 2.999 1053 H GLU 131 H GLU 131 10.091 -10.234 2.379 1054 HA GLU 131 HA GLU 131 10.418 -11.666 4.873 1055 HB2 GLU 131 HB2 GLU 131 11.394 -12.259 2.077 1056 HB3 GLU 131 HB3 GLU 131 11.739 -13.282 3.465 1057 HG2 GLU 131 HG2 GLU 131 9.009 -12.625 2.379 1058 HG3 GLU 131 HG3 GLU 131 9.875 -14.147 2.182 1059 H ALA 132 H ALA 132 11.442 -9.796 5.814 1060 HA ALA 132 HA ALA 132 14.294 -10.012 5.950 1061 HB1 ALA 132 HB1 ALA 132 14.776 -7.689 5.298 1062 HB2 ALA 132 HB2 ALA 132 13.093 -7.474 4.820 1063 HB3 ALA 132 HB3 ALA 132 14.118 -8.610 3.944 1064 HA PRO 133 HA PRO 133 13.160 -8.192 9.982 1065 HB2 PRO 133 HB2 PRO 133 16.063 -7.655 10.182 1066 HB3 PRO 133 HB3 PRO 133 15.016 -8.569 11.273 1067 HG2 PRO 133 HG2 PRO 133 16.795 -9.815 9.719 1068 HG3 PRO 133 HG3 PRO 133 15.198 -10.521 10.031 1069 HD2 PRO 133 HD2 PRO 133 16.169 -9.031 7.619 1070 HD3 PRO 133 HD3 PRO 133 15.189 -10.512 7.706 1071 H ALA 134 H ALA 134 12.475 -6.173 10.227 1072 HA ALA 134 HA ALA 134 13.155 -4.268 8.179 1073 HB1 ALA 134 HB1 ALA 134 11.266 -3.001 8.985 1074 HB2 ALA 134 HB2 ALA 134 11.144 -4.035 10.409 1075 HB3 ALA 134 HB3 ALA 134 10.828 -4.700 8.806 1076 H LEU 135 H LEU 135 15.264 -3.741 8.740 1077 HA LEU 135 HA LEU 135 15.707 -2.075 11.073 1078 HB2 LEU 135 HB2 LEU 135 17.451 -3.007 8.802 1079 HB3 LEU 135 HB3 LEU 135 17.949 -1.653 9.789 1080 HG LEU 135 HG LEU 135 17.783 -3.212 11.795 1081 HD11 LEU 135 HD11 LEU 135 17.720 -5.324 9.647 1082 HD12 LEU 135 HD12 LEU 135 16.420 -4.969 10.786 1083 HD13 LEU 135 HD13 LEU 135 17.959 -5.601 11.373 1084 HD21 LEU 135 HD21 LEU 135 19.900 -2.530 10.818 1085 HD22 LEU 135 HD22 LEU 135 19.792 -3.837 9.640 1086 HD23 LEU 135 HD23 LEU 135 19.970 -4.208 11.354 1087 H GLU 136 H GLU 136 15.952 0.155 10.992 1088 HA GLU 136 HA GLU 136 14.351 1.335 8.934 1089 HB2 GLU 136 HB2 GLU 136 14.303 3.328 10.206 1090 HB3 GLU 136 HB3 GLU 136 14.169 2.004 11.342 1091 HG2 GLU 136 HG2 GLU 136 16.683 3.589 10.820 1092 HG3 GLU 136 HG3 GLU 136 15.562 3.884 12.141 1093 H HIS 137 H HIS 137 14.855 2.831 7.474 1094 HA HIS 137 HA HIS 137 17.676 2.970 6.664 1095 HB2 HIS 137 HB2 HIS 137 15.107 3.527 5.150 1096 HB3 HIS 137 HB3 HIS 137 16.707 3.786 4.476 1097 HD1 HIS 137 HD1 HIS 137 17.866 1.800 3.461 1098 HD2 HIS 137 HD2 HIS 137 14.433 0.764 5.566 1099 HE1 HIS 137 HE1 HIS 137 17.440 -0.619 2.918 1100 HE2 HIS 137 HE2 HIS 137 15.498 -1.275 4.369 1101 H HIS 138 H HIS 138 16.621 4.471 8.849 1102 HA HIS 138 HA HIS 138 16.508 6.465 9.851 1103 HB2 HIS 138 HB2 HIS 138 17.696 7.578 7.287 1104 HB3 HIS 138 HB3 HIS 138 17.467 8.504 8.769 1105 HD1 HIS 138 HD1 HIS 138 19.678 6.002 7.165 1106 HD2 HIS 138 HD2 HIS 138 19.218 7.747 10.905 1107 HE1 HIS 138 HE1 HIS 138 21.773 5.442 8.427 1108 HE2 HIS 138 HE2 HIS 138 21.393 6.350 10.743 1109 H HIS 139 H HIS 139 15.376 8.797 9.490 1110 HA HIS 139 HA HIS 139 12.719 8.023 8.675 1111 HB2 HIS 139 HB2 HIS 139 13.735 10.611 9.872 1112 HB3 HIS 139 HB3 HIS 139 12.046 10.297 9.489 1113 HD1 HIS 139 HD1 HIS 139 13.296 10.791 12.400 1114 HD2 HIS 139 HD2 HIS 139 12.156 7.137 10.782 1115 HE1 HIS 139 HE1 HIS 139 12.829 9.301 14.364 1116 HE2 HIS 139 HE2 HIS 139 12.360 7.045 13.361 1117 H HIS 140 H HIS 140 11.386 9.106 7.194 1118 HA HIS 140 HA HIS 140 12.720 9.317 4.699 1119 HB2 HIS 140 HB2 HIS 140 10.497 9.493 3.698 1120 HB3 HIS 140 HB3 HIS 140 10.533 8.220 4.899 1121 HD1 HIS 140 HD1 HIS 140 9.321 8.855 7.256 1122 HD2 HIS 140 HD2 HIS 140 8.521 11.320 4.002 1123 HE1 HIS 140 HE1 HIS 140 7.251 10.143 7.870 1124 HE2 HIS 140 HE2 HIS 140 6.666 11.446 5.800 1125 H HIS 141 H HIS 141 11.788 11.672 6.936 1126 HA HIS 141 HA HIS 141 12.923 13.842 5.514 1127 HB2 HIS 141 HB2 HIS 141 10.648 13.568 4.368 1128 HB3 HIS 141 HB3 HIS 141 9.916 14.002 5.902 1129 HD1 HIS 141 HD1 HIS 141 8.866 15.945 4.354 1130 HD2 HIS 141 HD2 HIS 141 12.936 16.227 5.156 1131 HE1 HIS 141 HE1 HIS 141 9.497 18.318 3.815 1132 HE2 HIS 141 HE2 HIS 141 11.934 18.498 4.411 1133 H HIS 142 H HIS 142 10.420 12.964 7.811 1134 HA HIS 142 HA HIS 142 11.883 13.877 10.099 1135 HB2 HIS 142 HB2 HIS 142 10.901 16.014 9.290 1136 HB3 HIS 142 HB3 HIS 142 9.301 15.290 9.310 1137 HD1 HIS 142 HD1 HIS 142 8.143 16.549 11.077 1138 HD2 HIS 142 HD2 HIS 142 11.916 15.310 12.292 1139 HE1 HIS 142 HE1 HIS 142 8.309 17.190 13.499 1140 HE2 HIS 142 HE2 HIS 142 10.517 16.253 14.257 Start of MODEL 17 1 H1 MET 1 H1 MET 1 2.543 -7.449 11.795 2 H2 MET 1 H2 MET 1 2.897 -8.937 12.516 3 H3 MET 1 H3 MET 1 1.443 -8.151 12.870 4 HA MET 1 HA MET 1 2.239 -9.289 10.255 5 HB2 MET 1 HB2 MET 1 1.494 -10.815 12.219 6 HB3 MET 1 HB3 MET 1 -0.098 -10.111 11.991 7 HG2 MET 1 HG2 MET 1 0.011 -10.900 9.607 8 HG3 MET 1 HG3 MET 1 1.482 -11.769 10.042 9 HE1 MET 1 HE1 MET 1 0.153 -13.922 9.004 10 HE2 MET 1 HE2 MET 1 -1.281 -12.922 8.773 11 HE3 MET 1 HE3 MET 1 -1.408 -14.462 9.624 12 H LEU 2 H LEU 2 -0.098 -9.505 9.036 13 HA LEU 2 HA LEU 2 -0.673 -6.961 8.097 14 HB2 LEU 2 HB2 LEU 2 -2.188 -9.550 7.803 15 HB3 LEU 2 HB3 LEU 2 -2.656 -8.084 6.973 16 HG LEU 2 HG LEU 2 -0.219 -8.156 6.023 17 HD11 LEU 2 HD11 LEU 2 -0.633 -11.057 6.734 18 HD12 LEU 2 HD12 LEU 2 0.602 -9.991 7.405 19 HD13 LEU 2 HD13 LEU 2 0.640 -10.416 5.694 20 HD21 LEU 2 HD21 LEU 2 -2.263 -8.378 4.708 21 HD22 LEU 2 HD22 LEU 2 -2.339 -10.094 5.111 22 HD23 LEU 2 HD23 LEU 2 -1.007 -9.474 4.134 23 H LYS 3 H LYS 3 -2.738 -5.902 7.917 24 HA LYS 3 HA LYS 3 -4.588 -4.826 8.643 25 HB2 LYS 3 HB2 LYS 3 -4.815 -6.932 10.801 26 HB3 LYS 3 HB3 LYS 3 -6.019 -5.704 10.448 27 HG2 LYS 3 HG2 LYS 3 -6.424 -6.672 8.270 28 HG3 LYS 3 HG3 LYS 3 -5.134 -7.852 8.524 29 HD2 LYS 3 HD2 LYS 3 -6.366 -8.720 10.477 30 HD3 LYS 3 HD3 LYS 3 -7.673 -7.593 10.122 31 HE2 LYS 3 HE2 LYS 3 -6.698 -9.736 8.236 32 HE3 LYS 3 HE3 LYS 3 -8.091 -9.899 9.304 33 HZ1 LYS 3 HZ1 LYS 3 -8.878 -9.278 7.167 34 HZ2 LYS 3 HZ2 LYS 3 -7.772 -8.000 7.046 35 HZ3 LYS 3 HZ3 LYS 3 -9.037 -7.917 8.169 36 H THR 4 H THR 4 -1.811 -4.416 9.672 37 HA THR 4 HA THR 4 -2.434 -3.029 12.199 38 HB THR 4 HB THR 4 0.271 -3.635 10.970 39 HG1 THR 4 HG1 THR 4 -0.597 -5.501 11.817 40 HG21 THR 4 HG21 THR 4 1.219 -2.888 13.105 41 HG22 THR 4 HG22 THR 4 -0.389 -2.433 13.671 42 HG23 THR 4 HG23 THR 4 0.345 -1.578 12.313 43 H ILE 5 H ILE 5 -0.847 -2.485 9.044 44 HA ILE 5 HA ILE 5 -0.940 0.357 9.495 45 HB ILE 5 HB ILE 5 0.130 -1.346 7.274 46 HG12 ILE 5 HG12 ILE 5 1.510 -0.935 9.259 47 HG13 ILE 5 HG13 ILE 5 2.221 -0.234 7.812 48 HG21 ILE 5 HG21 ILE 5 -0.953 0.478 6.089 49 HG22 ILE 5 HG22 ILE 5 0.802 0.627 6.007 50 HG23 ILE 5 HG23 ILE 5 -0.119 1.650 7.110 51 HD11 ILE 5 HD11 ILE 5 1.421 1.974 8.500 52 HD12 ILE 5 HD12 ILE 5 2.480 1.245 9.707 53 HD13 ILE 5 HD13 ILE 5 0.735 1.262 9.961 54 H LEU 6 H LEU 6 -2.431 1.610 9.066 55 HA LEU 6 HA LEU 6 -4.757 0.854 7.476 56 HB2 LEU 6 HB2 LEU 6 -4.820 1.766 9.859 57 HB3 LEU 6 HB3 LEU 6 -4.237 3.280 9.205 58 HG LEU 6 HG LEU 6 -6.308 3.415 7.827 59 HD11 LEU 6 HD11 LEU 6 -6.876 1.050 7.765 60 HD12 LEU 6 HD12 LEU 6 -8.195 1.992 8.460 61 HD13 LEU 6 HD13 LEU 6 -7.133 1.055 9.510 62 HD21 LEU 6 HD21 LEU 6 -6.070 4.613 9.934 63 HD22 LEU 6 HD22 LEU 6 -6.648 3.199 10.816 64 HD23 LEU 6 HD23 LEU 6 -7.730 4.055 9.717 65 H SER 7 H SER 7 -5.101 1.823 5.512 66 HA SER 7 HA SER 7 -2.997 3.598 4.542 67 HB2 SER 7 HB2 SER 7 -3.863 2.981 2.279 68 HB3 SER 7 HB3 SER 7 -3.292 1.605 3.220 69 HG SER 7 HG SER 7 -5.981 2.215 3.485 70 H ILE 8 H ILE 8 -3.331 5.622 4.068 71 HA ILE 8 HA ILE 8 -6.067 6.706 4.108 72 HB ILE 8 HB ILE 8 -3.703 7.469 5.773 73 HG12 ILE 8 HG12 ILE 8 -5.620 8.247 7.301 74 HG13 ILE 8 HG13 ILE 8 -6.690 7.458 6.152 75 HG21 ILE 8 HG21 ILE 8 -5.622 9.603 4.842 76 HG22 ILE 8 HG22 ILE 8 -3.903 9.505 4.456 77 HG23 ILE 8 HG23 ILE 8 -4.420 9.777 6.121 78 HD11 ILE 8 HD11 ILE 8 -6.255 6.020 8.025 79 HD12 ILE 8 HD12 ILE 8 -4.515 6.159 7.771 80 HD13 ILE 8 HD13 ILE 8 -5.521 5.340 6.574 81 H ALA 9 H ALA 9 -6.504 8.186 2.532 82 HA ALA 9 HA ALA 9 -4.309 8.728 0.649 83 HB1 ALA 9 HB1 ALA 9 -7.264 8.601 0.062 84 HB2 ALA 9 HB2 ALA 9 -6.085 7.340 -0.302 85 HB3 ALA 9 HB3 ALA 9 -5.982 8.904 -1.110 86 H GLY 10 H GLY 10 -3.671 10.735 0.406 87 HA2 GLY 10 HA2 GLY 10 -4.819 12.996 -0.180 88 HA3 GLY 10 HA3 GLY 10 -5.288 12.913 1.512 89 H LYS 11 H LYS 11 -4.084 14.203 2.702 90 HA LYS 11 HA LYS 11 -1.411 14.912 1.831 91 HB2 LYS 11 HB2 LYS 11 -3.259 16.042 3.901 92 HB3 LYS 11 HB3 LYS 11 -1.546 16.421 3.962 93 HG2 LYS 11 HG2 LYS 11 -2.588 18.194 2.819 94 HG3 LYS 11 HG3 LYS 11 -1.747 17.250 1.594 95 HD2 LYS 11 HD2 LYS 11 -3.895 17.887 0.735 96 HD3 LYS 11 HD3 LYS 11 -3.920 16.153 1.051 97 HE2 LYS 11 HE2 LYS 11 -5.992 17.095 1.821 98 HE3 LYS 11 HE3 LYS 11 -5.038 16.616 3.222 99 HZ1 LYS 11 HZ1 LYS 11 -6.076 18.777 3.533 100 HZ2 LYS 11 HZ2 LYS 11 -5.272 19.386 2.167 101 HZ3 LYS 11 HZ3 LYS 11 -4.384 18.919 3.535 102 HA PRO 12 HA PRO 12 -0.204 12.400 5.771 103 HB2 PRO 12 HB2 PRO 12 -2.640 10.879 6.435 104 HB3 PRO 12 HB3 PRO 12 -1.500 11.695 7.509 105 HG2 PRO 12 HG2 PRO 12 -3.950 12.667 7.123 106 HG3 PRO 12 HG3 PRO 12 -2.547 13.739 7.288 107 HD2 PRO 12 HD2 PRO 12 -3.953 12.851 4.788 108 HD3 PRO 12 HD3 PRO 12 -3.424 14.483 5.261 109 H GLY 13 H GLY 13 -0.821 9.630 6.118 110 HA2 GLY 13 HA2 GLY 13 -0.753 8.595 3.409 111 HA3 GLY 13 HA3 GLY 13 0.785 8.562 4.259 112 H LEU 14 H LEU 14 0.783 7.451 6.383 113 HA LEU 14 HA LEU 14 -1.165 5.265 6.423 114 HB2 LEU 14 HB2 LEU 14 1.819 4.959 6.721 115 HB3 LEU 14 HB3 LEU 14 0.646 3.685 6.987 116 HG LEU 14 HG LEU 14 1.092 5.070 4.339 117 HD11 LEU 14 HD11 LEU 14 2.015 2.387 5.325 118 HD12 LEU 14 HD12 LEU 14 3.035 3.793 5.023 119 HD13 LEU 14 HD13 LEU 14 2.199 3.006 3.684 120 HD21 LEU 14 HD21 LEU 14 -0.470 2.583 5.039 121 HD22 LEU 14 HD22 LEU 14 -0.237 3.245 3.421 122 HD23 LEU 14 HD23 LEU 14 -1.167 4.148 4.618 123 H TYR 15 H TYR 15 -1.774 4.553 8.342 124 HA TYR 15 HA TYR 15 -0.478 5.655 10.738 125 HB2 TYR 15 HB2 TYR 15 -3.427 5.356 10.145 126 HB3 TYR 15 HB3 TYR 15 -2.812 5.534 11.783 127 HD1 TYR 15 HD1 TYR 15 -1.603 7.649 12.404 128 HD2 TYR 15 HD2 TYR 15 -3.706 7.243 8.734 129 HE1 TYR 15 HE1 TYR 15 -1.654 10.091 12.171 130 HE2 TYR 15 HE2 TYR 15 -3.759 9.687 8.488 131 HH TYR 15 HH TYR 15 -3.637 11.685 9.977 132 H LYS 16 H LYS 16 -0.808 4.281 12.656 133 HA LYS 16 HA LYS 16 -1.031 1.441 11.938 134 HB2 LYS 16 HB2 LYS 16 0.309 2.787 14.290 135 HB3 LYS 16 HB3 LYS 16 0.155 1.046 14.106 136 HG2 LYS 16 HG2 LYS 16 1.649 0.972 12.334 137 HG3 LYS 16 HG3 LYS 16 1.471 2.690 11.982 138 HD2 LYS 16 HD2 LYS 16 3.616 2.357 12.987 139 HD3 LYS 16 HD3 LYS 16 2.587 3.174 14.162 140 HE2 LYS 16 HE2 LYS 16 2.145 0.974 15.223 141 HE3 LYS 16 HE3 LYS 16 3.297 0.247 14.101 142 HZ1 LYS 16 HZ1 LYS 16 3.887 2.346 16.114 143 HZ2 LYS 16 HZ2 LYS 16 5.007 1.738 14.994 144 HZ3 LYS 16 HZ3 LYS 16 4.364 0.720 16.188 145 H LEU 17 H LEU 17 -3.014 0.755 12.234 146 HA LEU 17 HA LEU 17 -4.930 1.907 13.946 147 HB2 LEU 17 HB2 LEU 17 -4.986 0.246 11.809 148 HB3 LEU 17 HB3 LEU 17 -5.264 -0.906 13.096 149 HG LEU 17 HG LEU 17 -6.964 1.543 12.576 150 HD11 LEU 17 HD11 LEU 17 -7.446 -1.363 11.943 151 HD12 LEU 17 HD12 LEU 17 -7.181 -0.062 10.781 152 HD13 LEU 17 HD13 LEU 17 -8.633 -0.069 11.782 153 HD21 LEU 17 HD21 LEU 17 -6.996 0.845 14.919 154 HD22 LEU 17 HD22 LEU 17 -7.406 -0.797 14.426 155 HD23 LEU 17 HD23 LEU 17 -8.540 0.520 14.131 156 H ILE 18 H ILE 18 -4.866 1.843 16.049 157 HA ILE 18 HA ILE 18 -3.677 -0.386 17.490 158 HB ILE 18 HB ILE 18 -4.803 2.242 18.511 159 HG12 ILE 18 HG12 ILE 18 -1.898 1.443 18.234 160 HG13 ILE 18 HG13 ILE 18 -2.762 2.343 16.995 161 HG21 ILE 18 HG21 ILE 18 -4.845 0.536 20.247 162 HG22 ILE 18 HG22 ILE 18 -3.592 1.729 20.592 163 HG23 ILE 18 HG23 ILE 18 -3.151 0.151 19.936 164 HD11 ILE 18 HD11 ILE 18 -2.290 3.248 19.825 165 HD12 ILE 18 HD12 ILE 18 -3.147 4.155 18.578 166 HD13 ILE 18 HD13 ILE 18 -1.427 3.806 18.391 167 H SER 19 H SER 19 -6.744 1.460 17.543 168 HA SER 19 HA SER 19 -8.255 -0.998 17.938 169 HB2 SER 19 HB2 SER 19 -8.399 1.321 19.887 170 HB3 SER 19 HB3 SER 19 -9.515 -0.045 19.863 171 HG SER 19 HG SER 19 -7.063 -1.033 19.931 172 H GLN 20 H GLN 20 -10.214 -0.902 16.908 173 HA GLN 20 HA GLN 20 -10.998 1.638 15.706 174 HB2 GLN 20 HB2 GLN 20 -12.081 -1.170 15.423 175 HB3 GLN 20 HB3 GLN 20 -12.886 0.224 14.718 176 HG2 GLN 20 HG2 GLN 20 -10.898 0.706 13.394 177 HG3 GLN 20 HG3 GLN 20 -10.081 -0.680 14.113 178 HE21 GLN 20 HE21 GLN 20 -10.701 -0.105 11.320 179 HE22 GLN 20 HE22 GLN 20 -11.636 -1.442 10.755 180 H GLY 21 H GLY 21 -12.289 2.997 16.741 181 HA2 GLY 21 HA2 GLY 21 -13.939 1.919 18.930 182 HA3 GLY 21 HA3 GLY 21 -13.192 3.507 18.952 183 H LYS 22 H LYS 22 -15.395 4.106 19.519 184 HA LYS 22 HA LYS 22 -17.390 4.078 17.433 185 HB2 LYS 22 HB2 LYS 22 -18.717 5.447 19.104 186 HB3 LYS 22 HB3 LYS 22 -18.242 3.847 19.653 187 HG2 LYS 22 HG2 LYS 22 -16.482 4.777 21.000 188 HG3 LYS 22 HG3 LYS 22 -16.785 6.389 20.354 189 HD2 LYS 22 HD2 LYS 22 -19.115 6.196 21.320 190 HD3 LYS 22 HD3 LYS 22 -18.547 4.750 22.164 191 HE2 LYS 22 HE2 LYS 22 -16.785 6.060 23.227 192 HE3 LYS 22 HE3 LYS 22 -17.338 7.503 22.378 193 HZ1 LYS 22 HZ1 LYS 22 -19.461 7.309 23.537 194 HZ2 LYS 22 HZ2 LYS 22 -18.172 7.458 24.629 195 HZ3 LYS 22 HZ3 LYS 22 -18.892 5.947 24.375 196 H ASN 23 H ASN 23 -17.688 5.557 15.946 197 HA ASN 23 HA ASN 23 -17.623 7.415 14.661 198 HB2 ASN 23 HB2 ASN 23 -18.236 8.707 16.719 199 HB3 ASN 23 HB3 ASN 23 -16.531 8.958 17.026 200 HD21 ASN 23 HD21 ASN 23 -15.388 10.445 15.792 201 HD22 ASN 23 HD22 ASN 23 -16.159 11.551 14.707 202 H MET 24 H MET 24 -14.766 7.669 16.762 203 HA MET 24 HA MET 24 -13.129 7.739 14.339 204 HB2 MET 24 HB2 MET 24 -11.416 8.791 16.106 205 HB3 MET 24 HB3 MET 24 -12.510 9.756 15.134 206 HG2 MET 24 HG2 MET 24 -12.467 10.543 17.412 207 HG3 MET 24 HG3 MET 24 -14.050 9.907 17.008 208 HE1 MET 24 HE1 MET 24 -10.686 9.237 18.908 209 HE2 MET 24 HE2 MET 24 -10.851 7.797 17.903 210 HE3 MET 24 HE3 MET 24 -11.004 7.670 19.655 211 H LEU 25 H LEU 25 -10.975 6.985 14.577 212 HA LEU 25 HA LEU 25 -10.825 4.447 16.024 213 HB2 LEU 25 HB2 LEU 25 -9.767 5.531 13.476 214 HB3 LEU 25 HB3 LEU 25 -8.689 4.475 14.357 215 HG LEU 25 HG LEU 25 -10.214 2.627 14.152 216 HD11 LEU 25 HD11 LEU 25 -12.330 3.842 14.390 217 HD12 LEU 25 HD12 LEU 25 -12.330 2.787 12.976 218 HD13 LEU 25 HD13 LEU 25 -12.108 4.526 12.781 219 HD21 LEU 25 HD21 LEU 25 -9.981 4.128 11.552 220 HD22 LEU 25 HD22 LEU 25 -10.250 2.390 11.731 221 HD23 LEU 25 HD23 LEU 25 -8.732 3.108 12.274 222 H ILE 26 H ILE 26 -9.124 3.999 17.330 223 HA ILE 26 HA ILE 26 -7.287 6.158 18.016 224 HB ILE 26 HB ILE 26 -7.379 3.321 19.099 225 HG12 ILE 26 HG12 ILE 26 -9.448 4.518 19.670 226 HG13 ILE 26 HG13 ILE 26 -8.462 4.250 21.100 227 HG21 ILE 26 HG21 ILE 26 -5.984 4.208 20.926 228 HG22 ILE 26 HG22 ILE 26 -5.910 5.760 20.089 229 HG23 ILE 26 HG23 ILE 26 -5.197 4.326 19.350 230 HD11 ILE 26 HD11 ILE 26 -9.469 6.453 21.126 231 HD12 ILE 26 HD12 ILE 26 -8.718 6.835 19.578 232 HD13 ILE 26 HD13 ILE 26 -7.713 6.579 21.006 233 H VAL 27 H VAL 27 -5.789 6.420 16.463 234 HA VAL 27 HA VAL 27 -4.164 4.070 15.790 235 HB VAL 27 HB VAL 27 -3.727 4.929 13.531 236 HG11 VAL 27 HG11 VAL 27 -5.516 3.309 13.761 237 HG12 VAL 27 HG12 VAL 27 -5.889 4.466 12.482 238 HG13 VAL 27 HG13 VAL 27 -6.677 4.604 14.054 239 HG21 VAL 27 HG21 VAL 27 -5.795 7.033 14.143 240 HG22 VAL 27 HG22 VAL 27 -5.075 6.727 12.559 241 HG23 VAL 27 HG23 VAL 27 -4.069 7.298 13.893 242 H GLU 28 H GLU 28 -2.016 4.898 14.816 243 HA GLU 28 HA GLU 28 -1.163 7.408 16.042 244 HB2 GLU 28 HB2 GLU 28 1.010 6.361 16.713 245 HB3 GLU 28 HB3 GLU 28 -0.370 5.777 17.627 246 HG2 GLU 28 HG2 GLU 28 -0.402 3.726 16.393 247 HG3 GLU 28 HG3 GLU 28 0.828 4.326 15.283 248 H THR 29 H THR 29 0.654 8.387 14.961 249 HA THR 29 HA THR 29 0.740 7.744 12.152 250 HB THR 29 HB THR 29 2.655 9.693 13.378 251 HG1 THR 29 HG1 THR 29 -0.167 9.988 13.184 252 HG21 THR 29 HG21 THR 29 2.153 10.943 11.327 253 HG22 THR 29 HG22 THR 29 0.946 9.736 10.882 254 HG23 THR 29 HG23 THR 29 2.651 9.292 10.949 255 H VAL 30 H VAL 30 2.207 6.538 11.168 256 HA VAL 30 HA VAL 30 3.720 4.750 12.702 257 HB VAL 30 HB VAL 30 2.727 4.101 10.612 258 HG11 VAL 30 HG11 VAL 30 2.928 6.114 9.327 259 HG12 VAL 30 HG12 VAL 30 3.626 4.755 8.445 260 HG13 VAL 30 HG13 VAL 30 4.679 5.923 9.245 261 HG21 VAL 30 HG21 VAL 30 5.723 3.845 10.530 262 HG22 VAL 30 HG22 VAL 30 4.593 2.900 9.557 263 HG23 VAL 30 HG23 VAL 30 4.576 2.755 11.315 264 H ASP 31 H ASP 31 4.782 7.552 10.791 265 HA ASP 31 HA ASP 31 6.947 7.965 12.631 266 HB2 ASP 31 HB2 ASP 31 7.753 6.416 10.612 267 HB3 ASP 31 HB3 ASP 31 7.846 7.965 9.769 268 H ALA 32 H ALA 32 8.293 9.962 11.319 269 HA ALA 32 HA ALA 32 8.318 12.126 10.748 270 HB1 ALA 32 HB1 ALA 32 5.549 11.801 9.625 271 HB2 ALA 32 HB2 ALA 32 7.046 11.461 8.759 272 HB3 ALA 32 HB3 ALA 32 6.685 13.106 9.285 273 H ALA 33 H ALA 33 5.026 11.482 11.993 274 HA ALA 33 HA ALA 33 5.242 13.957 13.550 275 HB1 ALA 33 HB1 ALA 33 3.261 13.763 12.135 276 HB2 ALA 33 HB2 ALA 33 2.810 13.758 13.842 277 HB3 ALA 33 HB3 ALA 33 2.833 12.248 12.929 278 H LYS 34 H LYS 34 4.906 10.482 13.760 279 HA LYS 34 HA LYS 34 4.226 9.041 15.410 280 HB2 LYS 34 HB2 LYS 34 6.735 10.363 16.370 281 HB3 LYS 34 HB3 LYS 34 6.031 8.981 17.205 282 HG2 LYS 34 HG2 LYS 34 6.159 7.688 15.105 283 HG3 LYS 34 HG3 LYS 34 6.940 9.067 14.335 284 HD2 LYS 34 HD2 LYS 34 8.038 7.728 16.793 285 HD3 LYS 34 HD3 LYS 34 8.463 7.227 15.158 286 HE2 LYS 34 HE2 LYS 34 8.850 10.013 16.246 287 HE3 LYS 34 HE3 LYS 34 10.107 8.777 16.210 288 HZ1 LYS 34 HZ1 LYS 34 10.391 10.151 14.311 289 HZ2 LYS 34 HZ2 LYS 34 8.752 10.043 13.900 290 HZ3 LYS 34 HZ3 LYS 34 9.746 8.681 13.750 291 H LYS 35 H LYS 35 2.413 9.201 16.447 292 HA LYS 35 HA LYS 35 1.866 10.488 18.841 293 HB2 LYS 35 HB2 LYS 35 0.596 12.500 18.145 294 HB3 LYS 35 HB3 LYS 35 2.286 12.618 17.700 295 HG2 LYS 35 HG2 LYS 35 1.784 12.126 15.403 296 HG3 LYS 35 HG3 LYS 35 0.088 11.861 15.802 297 HD2 LYS 35 HD2 LYS 35 1.514 14.471 16.266 298 HD3 LYS 35 HD3 LYS 35 0.631 14.100 14.785 299 HE2 LYS 35 HE2 LYS 35 -1.405 13.736 16.128 300 HE3 LYS 35 HE3 LYS 35 -0.507 14.180 17.578 301 HZ1 LYS 35 HZ1 LYS 35 -1.760 16.047 16.780 302 HZ2 LYS 35 HZ2 LYS 35 -1.051 15.930 15.245 303 HZ3 LYS 35 HZ3 LYS 35 -0.106 16.363 16.585 304 H ARG 36 H ARG 36 -0.271 10.077 19.523 305 HA ARG 36 HA ARG 36 -1.774 8.345 17.764 306 HB2 ARG 36 HB2 ARG 36 -2.228 9.225 20.605 307 HB3 ARG 36 HB3 ARG 36 -3.425 8.298 19.708 308 HG2 ARG 36 HG2 ARG 36 -1.720 6.536 19.350 309 HG3 ARG 36 HG3 ARG 36 -0.613 7.445 20.381 310 HD2 ARG 36 HD2 ARG 36 -2.154 7.234 22.252 311 HD3 ARG 36 HD3 ARG 36 -3.317 6.398 21.223 312 HE ARG 36 HE ARG 36 -0.711 5.147 21.383 313 HH11 ARG 36 HH11 ARG 36 -3.946 5.282 22.772 314 HH12 ARG 36 HH12 ARG 36 -3.843 3.685 23.446 315 HH21 ARG 36 HH21 ARG 36 -0.596 3.067 22.255 316 HH22 ARG 36 HH22 ARG 36 -1.936 2.426 23.164 317 H VAL 37 H VAL 37 -3.224 8.970 16.410 318 HA VAL 37 HA VAL 37 -4.388 11.673 16.650 319 HB VAL 37 HB VAL 37 -3.975 10.241 14.013 320 HG11 VAL 37 HG11 VAL 37 -4.213 13.173 14.655 321 HG12 VAL 37 HG12 VAL 37 -5.510 12.147 14.034 322 HG13 VAL 37 HG13 VAL 37 -4.080 12.458 13.048 323 HG21 VAL 37 HG21 VAL 37 -2.009 12.138 15.280 324 HG22 VAL 37 HG22 VAL 37 -1.932 11.518 13.632 325 HG23 VAL 37 HG23 VAL 37 -1.761 10.415 14.998 326 HA PRO 38 HA PRO 38 -8.298 9.367 16.229 327 HB2 PRO 38 HB2 PRO 38 -9.918 11.503 15.758 328 HB3 PRO 38 HB3 PRO 38 -9.396 11.018 17.371 329 HG2 PRO 38 HG2 PRO 38 -8.314 13.174 15.607 330 HG3 PRO 38 HG3 PRO 38 -8.618 13.205 17.353 331 HD2 PRO 38 HD2 PRO 38 -6.146 12.846 16.327 332 HD3 PRO 38 HD3 PRO 38 -6.662 12.087 17.848 333 H ALA 39 H ALA 39 -8.395 8.258 14.407 334 HA ALA 39 HA ALA 39 -8.478 9.617 11.795 335 HB1 ALA 39 HB1 ALA 39 -8.220 7.340 10.852 336 HB2 ALA 39 HB2 ALA 39 -8.201 6.682 12.489 337 HB3 ALA 39 HB3 ALA 39 -6.904 7.752 11.955 338 H TYR 40 H TYR 40 -10.323 9.046 10.333 339 HA TYR 40 HA TYR 40 -12.618 8.200 11.969 340 HB2 TYR 40 HB2 TYR 40 -12.716 10.295 9.773 341 HB3 TYR 40 HB3 TYR 40 -14.045 9.817 10.818 342 HD1 TYR 40 HD1 TYR 40 -14.018 10.461 13.223 343 HD2 TYR 40 HD2 TYR 40 -11.087 11.883 10.488 344 HE1 TYR 40 HE1 TYR 40 -13.389 12.224 14.821 345 HE2 TYR 40 HE2 TYR 40 -10.449 13.645 12.074 346 HH TYR 40 HH TYR 40 -11.359 14.848 13.959 347 H ALA 41 H ALA 41 -12.605 9.035 8.603 348 HA ALA 41 HA ALA 41 -12.630 6.529 7.371 349 HB1 ALA 41 HB1 ALA 41 -14.710 6.114 8.612 350 HB2 ALA 41 HB2 ALA 41 -15.020 6.254 6.881 351 HB3 ALA 41 HB3 ALA 41 -15.404 7.598 7.957 352 H HIS 42 H HIS 42 -13.573 9.810 7.651 353 HA HIS 42 HA HIS 42 -13.985 10.512 4.943 354 HB2 HIS 42 HB2 HIS 42 -14.580 11.739 7.162 355 HB3 HIS 42 HB3 HIS 42 -12.946 12.366 7.075 356 HD1 HIS 42 HD1 HIS 42 -16.339 12.875 5.791 357 HD2 HIS 42 HD2 HIS 42 -12.502 14.150 4.829 358 HE1 HIS 42 HE1 HIS 42 -16.649 14.886 4.314 359 HE2 HIS 42 HE2 HIS 42 -14.316 15.630 3.721 360 H ASP 43 H ASP 43 -11.162 9.794 6.738 361 HA ASP 43 HA ASP 43 -9.276 11.307 5.150 362 HB2 ASP 43 HB2 ASP 43 -8.637 9.048 7.055 363 HB3 ASP 43 HB3 ASP 43 -7.595 10.378 6.568 364 H LYS 44 H LYS 44 -11.096 9.057 4.069 365 HA LYS 44 HA LYS 44 -11.161 7.213 2.794 366 HB2 LYS 44 HB2 LYS 44 -8.385 8.119 2.012 367 HB3 LYS 44 HB3 LYS 44 -9.155 6.707 1.314 368 HG2 LYS 44 HG2 LYS 44 -9.552 8.342 -0.263 369 HG3 LYS 44 HG3 LYS 44 -11.049 8.339 0.665 370 HD2 LYS 44 HD2 LYS 44 -10.433 10.314 1.831 371 HD3 LYS 44 HD3 LYS 44 -8.777 10.233 1.229 372 HE2 LYS 44 HE2 LYS 44 -10.014 11.949 0.052 373 HE3 LYS 44 HE3 LYS 44 -9.599 10.638 -1.049 374 HZ1 LYS 44 HZ1 LYS 44 -11.863 9.786 -0.797 375 HZ2 LYS 44 HZ2 LYS 44 -11.856 11.369 -1.396 376 HZ3 LYS 44 HZ3 LYS 44 -12.245 11.085 0.227 377 H VAL 45 H VAL 45 -11.053 6.498 5.189 378 HA VAL 45 HA VAL 45 -8.659 5.100 5.959 379 HB VAL 45 HB VAL 45 -11.338 5.472 7.316 380 HG11 VAL 45 HG11 VAL 45 -8.922 4.042 8.425 381 HG12 VAL 45 HG12 VAL 45 -10.469 3.300 8.014 382 HG13 VAL 45 HG13 VAL 45 -10.377 4.472 9.329 383 HG21 VAL 45 HG21 VAL 45 -10.031 6.832 8.876 384 HG22 VAL 45 HG22 VAL 45 -9.890 7.428 7.222 385 HG23 VAL 45 HG23 VAL 45 -8.572 6.502 7.941 386 H ILE 46 H ILE 46 -8.235 3.432 4.815 387 HA ILE 46 HA ILE 46 -10.083 1.132 4.781 388 HB ILE 46 HB ILE 46 -8.129 1.875 2.558 389 HG12 ILE 46 HG12 ILE 46 -10.070 3.420 2.556 390 HG13 ILE 46 HG13 ILE 46 -10.007 2.418 1.115 391 HG21 ILE 46 HG21 ILE 46 -9.199 0.077 1.264 392 HG22 ILE 46 HG22 ILE 46 -10.165 -0.344 2.680 393 HG23 ILE 46 HG23 ILE 46 -8.407 -0.509 2.727 394 HD11 ILE 46 HD11 ILE 46 -11.831 2.014 3.480 395 HD12 ILE 46 HD12 ILE 46 -11.776 0.995 2.042 396 HD13 ILE 46 HD13 ILE 46 -12.286 2.678 1.911 397 H SER 47 H SER 47 -8.853 -0.917 5.127 398 HA SER 47 HA SER 47 -6.303 -0.539 6.401 399 HB2 SER 47 HB2 SER 47 -7.860 -2.269 7.204 400 HB3 SER 47 HB3 SER 47 -7.738 -3.102 5.658 401 HG SER 47 HG SER 47 -6.351 -4.086 7.092 402 H LEU 48 H LEU 48 -4.289 -1.091 5.647 403 HA LEU 48 HA LEU 48 -3.809 -0.914 2.838 404 HB2 LEU 48 HB2 LEU 48 -2.363 -0.041 4.711 405 HB3 LEU 48 HB3 LEU 48 -1.922 -1.685 5.079 406 HG LEU 48 HG LEU 48 -0.257 -0.207 3.808 407 HD11 LEU 48 HD11 LEU 48 0.593 -2.081 2.490 408 HD12 LEU 48 HD12 LEU 48 -0.934 -2.932 2.739 409 HD13 LEU 48 HD13 LEU 48 0.106 -2.567 4.116 410 HD21 LEU 48 HD21 LEU 48 -0.458 -0.203 1.385 411 HD22 LEU 48 HD22 LEU 48 -1.779 0.684 2.149 412 HD23 LEU 48 HD23 LEU 48 -2.054 -0.939 1.513 413 H ALA 49 H ALA 49 -3.933 -3.503 5.183 414 HA ALA 49 HA ALA 49 -2.965 -5.562 3.451 415 HB1 ALA 49 HB1 ALA 49 -3.563 -7.052 5.264 416 HB2 ALA 49 HB2 ALA 49 -4.449 -5.747 6.055 417 HB3 ALA 49 HB3 ALA 49 -2.700 -5.637 5.868 418 H ASP 50 H ASP 50 -5.926 -3.952 3.720 419 HA ASP 50 HA ASP 50 -7.646 -6.169 3.001 420 HB2 ASP 50 HB2 ASP 50 -8.432 -4.376 4.509 421 HB3 ASP 50 HB3 ASP 50 -8.244 -3.209 3.211 422 H ILE 51 H ILE 51 -5.988 -3.530 1.428 423 HA ILE 51 HA ILE 51 -7.368 -3.369 -1.016 424 HB ILE 51 HB ILE 51 -4.373 -3.041 -0.694 425 HG12 ILE 51 HG12 ILE 51 -5.524 -1.683 1.021 426 HG13 ILE 51 HG13 ILE 51 -4.703 -0.691 -0.178 427 HG21 ILE 51 HG21 ILE 51 -6.298 -1.799 -2.655 428 HG22 ILE 51 HG22 ILE 51 -5.097 -3.044 -3.000 429 HG23 ILE 51 HG23 ILE 51 -4.578 -1.424 -2.534 430 HD11 ILE 51 HD11 ILE 51 -6.865 0.235 0.436 431 HD12 ILE 51 HD12 ILE 51 -7.660 -1.252 -0.081 432 HD13 ILE 51 HD13 ILE 51 -6.834 -0.235 -1.263 433 H ALA 52 H ALA 52 -7.478 -4.734 -2.727 434 HA ALA 52 HA ALA 52 -5.340 -6.680 -3.161 435 HB1 ALA 52 HB1 ALA 52 -8.262 -7.446 -3.103 436 HB2 ALA 52 HB2 ALA 52 -7.059 -7.881 -1.890 437 HB3 ALA 52 HB3 ALA 52 -6.918 -8.504 -3.534 438 H MET 53 H MET 53 -5.275 -7.533 -5.336 439 HA MET 53 HA MET 53 -6.843 -6.174 -7.361 440 HB2 MET 53 HB2 MET 53 -3.822 -5.938 -7.253 441 HB3 MET 53 HB3 MET 53 -4.771 -5.615 -8.693 442 HG2 MET 53 HG2 MET 53 -4.634 -3.495 -7.978 443 HG3 MET 53 HG3 MET 53 -5.989 -3.962 -6.951 444 HE1 MET 53 HE1 MET 53 -2.137 -3.323 -7.170 445 HE2 MET 53 HE2 MET 53 -2.219 -5.019 -6.687 446 HE3 MET 53 HE3 MET 53 -1.597 -3.812 -5.561 447 H TYR 54 H TYR 54 -6.172 -7.151 -9.601 448 HA TYR 54 HA TYR 54 -5.838 -10.031 -9.079 449 HB2 TYR 54 HB2 TYR 54 -7.567 -8.645 -11.128 450 HB3 TYR 54 HB3 TYR 54 -7.270 -10.381 -11.114 451 HD1 TYR 54 HD1 TYR 54 -8.925 -7.600 -9.376 452 HD2 TYR 54 HD2 TYR 54 -8.283 -11.804 -9.459 453 HE1 TYR 54 HE1 TYR 54 -10.766 -7.906 -7.783 454 HE2 TYR 54 HE2 TYR 54 -10.127 -12.123 -7.866 455 HH TYR 54 HH TYR 54 -11.309 -10.832 -6.144 456 H THR 55 H THR 55 -4.402 -11.156 -10.087 457 HA THR 55 HA THR 55 -3.220 -10.249 -12.587 458 HB THR 55 HB THR 55 -1.775 -9.314 -10.823 459 HG1 THR 55 HG1 THR 55 0.048 -11.162 -11.520 460 HG21 THR 55 HG21 THR 55 -0.501 -10.726 -9.296 461 HG22 THR 55 HG22 THR 55 -1.367 -12.149 -9.879 462 HG23 THR 55 HG23 THR 55 -2.238 -10.875 -9.023 463 H ASP 56 H ASP 56 -1.270 -12.443 -12.687 464 HA ASP 56 HA ASP 56 -3.080 -14.669 -13.119 465 HB2 ASP 56 HB2 ASP 56 -1.212 -14.084 -14.709 466 HB3 ASP 56 HB3 ASP 56 -0.080 -14.671 -13.497 467 H ALA 57 H ALA 57 -3.550 -14.533 -10.847 468 HA ALA 57 HA ALA 57 -2.352 -16.543 -9.223 469 HB1 ALA 57 HB1 ALA 57 -2.047 -13.630 -8.440 470 HB2 ALA 57 HB2 ALA 57 -0.741 -14.771 -8.772 471 HB3 ALA 57 HB3 ALA 57 -1.772 -14.999 -7.358 472 H GLU 58 H GLU 58 -3.668 -16.354 -6.952 473 HA GLU 58 HA GLU 58 -6.317 -15.550 -7.097 474 HB2 GLU 58 HB2 GLU 58 -4.394 -15.609 -4.777 475 HB3 GLU 58 HB3 GLU 58 -6.108 -15.272 -4.580 476 HG2 GLU 58 HG2 GLU 58 -6.674 -17.458 -5.447 477 HG3 GLU 58 HG3 GLU 58 -4.974 -17.789 -5.782 478 H GLU 59 H GLU 59 -6.881 -13.686 -5.133 479 HA GLU 59 HA GLU 59 -6.106 -11.231 -6.462 480 HB2 GLU 59 HB2 GLU 59 -7.746 -10.139 -4.868 481 HB3 GLU 59 HB3 GLU 59 -8.427 -11.235 -6.054 482 HG2 GLU 59 HG2 GLU 59 -8.663 -12.955 -4.355 483 HG3 GLU 59 HG3 GLU 59 -7.928 -11.890 -3.156 484 H VAL 60 H VAL 60 -4.251 -10.541 -5.969 485 HA VAL 60 HA VAL 60 -2.939 -11.268 -3.527 486 HB VAL 60 HB VAL 60 -1.975 -9.537 -5.831 487 HG11 VAL 60 HG11 VAL 60 -0.435 -10.857 -3.621 488 HG12 VAL 60 HG12 VAL 60 -0.740 -9.125 -3.766 489 HG13 VAL 60 HG13 VAL 60 0.253 -9.953 -4.969 490 HG21 VAL 60 HG21 VAL 60 -1.449 -12.422 -5.189 491 HG22 VAL 60 HG22 VAL 60 -0.685 -11.497 -6.480 492 HG23 VAL 60 HG23 VAL 60 -2.422 -11.819 -6.532 493 HA PRO 61 HA PRO 61 -4.001 -7.506 -1.237 494 HB2 PRO 61 HB2 PRO 61 -1.598 -8.294 0.293 495 HB3 PRO 61 HB3 PRO 61 -3.235 -7.957 0.865 496 HG2 PRO 61 HG2 PRO 61 -2.229 -10.451 0.751 497 HG3 PRO 61 HG3 PRO 61 -3.947 -10.107 0.485 498 HD2 PRO 61 HD2 PRO 61 -1.817 -10.788 -1.470 499 HD3 PRO 61 HD3 PRO 61 -3.549 -11.167 -1.509 500 H LEU 62 H LEU 62 -3.088 -5.460 -1.052 501 HA LEU 62 HA LEU 62 -1.178 -4.664 -2.936 502 HB2 LEU 62 HB2 LEU 62 -2.901 -3.189 -1.814 503 HB3 LEU 62 HB3 LEU 62 -1.846 -3.142 -0.420 504 HG LEU 62 HG LEU 62 -0.094 -2.058 -1.777 505 HD11 LEU 62 HD11 LEU 62 -0.615 -1.252 -4.013 506 HD12 LEU 62 HD12 LEU 62 -2.179 -2.065 -3.950 507 HD13 LEU 62 HD13 LEU 62 -0.691 -3.012 -3.943 508 HD21 LEU 62 HD21 LEU 62 -1.222 0.088 -2.133 509 HD22 LEU 62 HD22 LEU 62 -1.638 -0.637 -0.576 510 HD23 LEU 62 HD23 LEU 62 -2.780 -0.711 -1.920 511 H SER 63 H SER 63 -0.899 -5.598 0.402 512 HA SER 63 HA SER 63 1.662 -4.853 1.082 513 HB2 SER 63 HB2 SER 63 0.317 -7.467 1.790 514 HB3 SER 63 HB3 SER 63 1.582 -6.644 2.704 515 HG SER 63 HG SER 63 0.081 -5.521 3.629 516 H GLU 64 H GLU 64 0.688 -7.856 -0.685 517 HA GLU 64 HA GLU 64 3.318 -8.946 -0.561 518 HB2 GLU 64 HB2 GLU 64 1.036 -9.703 -2.381 519 HB3 GLU 64 HB3 GLU 64 2.509 -10.633 -2.150 520 HG2 GLU 64 HG2 GLU 64 1.814 -10.639 0.341 521 HG3 GLU 64 HG3 GLU 64 0.219 -10.218 -0.289 522 H VAL 65 H VAL 65 1.493 -7.380 -3.205 523 HA VAL 65 HA VAL 65 3.699 -7.375 -5.003 524 HB VAL 65 HB VAL 65 2.390 -5.687 -6.312 525 HG11 VAL 65 HG11 VAL 65 0.674 -7.295 -6.981 526 HG12 VAL 65 HG12 VAL 65 0.974 -8.222 -5.510 527 HG13 VAL 65 HG13 VAL 65 2.237 -8.075 -6.734 528 HG21 VAL 65 HG21 VAL 65 0.338 -6.145 -4.148 529 HG22 VAL 65 HG22 VAL 65 0.038 -5.338 -5.686 530 HG23 VAL 65 HG23 VAL 65 1.148 -4.621 -4.518 531 H LEU 66 H LEU 66 2.927 -5.182 -2.376 532 HA LEU 66 HA LEU 66 4.445 -2.920 -3.137 533 HB2 LEU 66 HB2 LEU 66 3.884 -4.140 -0.434 534 HB3 LEU 66 HB3 LEU 66 4.904 -2.730 -0.598 535 HG LEU 66 HG LEU 66 2.039 -2.785 -1.533 536 HD11 LEU 66 HD11 LEU 66 1.499 -1.629 0.557 537 HD12 LEU 66 HD12 LEU 66 3.152 -1.885 1.118 538 HD13 LEU 66 HD13 LEU 66 2.088 -3.267 0.850 539 HD21 LEU 66 HD21 LEU 66 3.883 -0.526 -0.815 540 HD22 LEU 66 HD22 LEU 66 2.220 -0.394 -1.398 541 HD23 LEU 66 HD23 LEU 66 3.480 -1.034 -2.456 542 H GLU 67 H GLU 67 5.399 -5.819 -1.294 543 HA GLU 67 HA GLU 67 8.165 -5.129 -1.241 544 HB2 GLU 67 HB2 GLU 67 7.333 -6.540 0.515 545 HB3 GLU 67 HB3 GLU 67 6.714 -7.708 -0.637 546 HG2 GLU 67 HG2 GLU 67 8.664 -8.620 0.376 547 HG3 GLU 67 HG3 GLU 67 9.043 -8.243 -1.286 548 H ALA 68 H ALA 68 6.141 -7.070 -3.409 549 HA ALA 68 HA ALA 68 8.094 -8.633 -4.629 550 HB1 ALA 68 HB1 ALA 68 5.693 -9.023 -4.845 551 HB2 ALA 68 HB2 ALA 68 6.502 -9.002 -6.412 552 HB3 ALA 68 HB3 ALA 68 5.561 -7.606 -5.886 553 H VAL 69 H VAL 69 6.841 -5.475 -5.799 554 HA VAL 69 HA VAL 69 8.718 -5.518 -7.983 555 HB VAL 69 HB VAL 69 7.854 -3.225 -8.530 556 HG11 VAL 69 HG11 VAL 69 5.679 -4.033 -9.302 557 HG12 VAL 69 HG12 VAL 69 5.812 -5.416 -8.215 558 HG13 VAL 69 HG13 VAL 69 6.944 -5.238 -9.555 559 HG21 VAL 69 HG21 VAL 69 7.130 -2.486 -6.343 560 HG22 VAL 69 HG22 VAL 69 5.943 -3.790 -6.277 561 HG23 VAL 69 HG23 VAL 69 5.772 -2.501 -7.468 562 H LYS 70 H LYS 70 8.580 -4.021 -4.846 563 HA LYS 70 HA LYS 70 10.703 -2.160 -5.145 564 HB2 LYS 70 HB2 LYS 70 8.891 -2.125 -3.423 565 HB3 LYS 70 HB3 LYS 70 9.681 -3.480 -2.635 566 HG2 LYS 70 HG2 LYS 70 11.644 -2.092 -2.215 567 HG3 LYS 70 HG3 LYS 70 10.844 -0.732 -3.010 568 HD2 LYS 70 HD2 LYS 70 10.604 -0.536 -0.602 569 HD3 LYS 70 HD3 LYS 70 9.035 -0.842 -1.346 570 HE2 LYS 70 HE2 LYS 70 9.312 -2.162 0.693 571 HE3 LYS 70 HE3 LYS 70 9.196 -3.202 -0.725 572 HZ1 LYS 70 HZ1 LYS 70 11.660 -3.311 -0.705 573 HZ2 LYS 70 HZ2 LYS 70 10.931 -4.024 0.638 574 HZ3 LYS 70 HZ3 LYS 70 11.655 -2.497 0.778 575 H LYS 71 H LYS 71 10.608 -5.556 -4.249 576 HA LYS 71 HA LYS 71 13.183 -5.669 -2.990 577 HB2 LYS 71 HB2 LYS 71 11.136 -7.197 -2.624 578 HB3 LYS 71 HB3 LYS 71 11.665 -8.033 -4.072 579 HG2 LYS 71 HG2 LYS 71 13.783 -8.572 -3.007 580 HG3 LYS 71 HG3 LYS 71 13.284 -7.689 -1.562 581 HD2 LYS 71 HD2 LYS 71 11.397 -9.230 -1.282 582 HD3 LYS 71 HD3 LYS 71 11.925 -10.126 -2.707 583 HE2 LYS 71 HE2 LYS 71 14.028 -10.664 -1.598 584 HE3 LYS 71 HE3 LYS 71 13.528 -9.741 -0.181 585 HZ1 LYS 71 HZ1 LYS 71 12.142 -12.145 -1.240 586 HZ2 LYS 71 HZ2 LYS 71 11.702 -11.270 0.146 587 HZ3 LYS 71 HZ3 LYS 71 13.166 -12.117 0.111 588 H LYS 72 H LYS 72 11.983 -6.077 -6.224 589 HA LYS 72 HA LYS 72 14.261 -7.278 -7.404 590 HB2 LYS 72 HB2 LYS 72 12.004 -7.113 -8.460 591 HB3 LYS 72 HB3 LYS 72 12.233 -5.383 -8.632 592 HG2 LYS 72 HG2 LYS 72 14.289 -7.126 -9.853 593 HG3 LYS 72 HG3 LYS 72 12.689 -7.119 -10.598 594 HD2 LYS 72 HD2 LYS 72 12.785 -4.798 -11.012 595 HD3 LYS 72 HD3 LYS 72 14.185 -4.591 -9.958 596 HE2 LYS 72 HE2 LYS 72 15.490 -6.006 -11.522 597 HE3 LYS 72 HE3 LYS 72 14.095 -6.026 -12.599 598 HZ1 LYS 72 HZ1 LYS 72 14.227 -3.660 -12.827 599 HZ2 LYS 72 HZ2 LYS 72 15.738 -4.336 -13.203 600 HZ3 LYS 72 HZ3 LYS 72 15.500 -3.570 -11.711 601 H GLU 73 H GLU 73 13.414 -3.981 -6.555 602 HA GLU 73 HA GLU 73 15.947 -2.938 -7.570 603 HB2 GLU 73 HB2 GLU 73 13.642 -1.806 -7.871 604 HB3 GLU 73 HB3 GLU 73 13.784 -1.357 -6.178 605 HG2 GLU 73 HG2 GLU 73 15.652 0.016 -6.589 606 HG3 GLU 73 HG3 GLU 73 15.899 -0.672 -8.195 607 H ASN 74 H ASN 74 16.117 -4.824 -5.542 608 HA ASN 74 HA ASN 74 17.462 -5.305 -3.813 609 HB2 ASN 74 HB2 ASN 74 18.211 -2.393 -4.022 610 HB3 ASN 74 HB3 ASN 74 18.954 -3.489 -2.863 611 HD21 ASN 74 HD21 ASN 74 20.380 -5.020 -3.558 612 HD22 ASN 74 HD22 ASN 74 21.015 -5.060 -5.168 613 H GLY 75 H GLY 75 14.639 -3.905 -3.352 614 HA2 GLY 75 HA2 GLY 75 13.317 -3.574 -1.503 615 HA3 GLY 75 HA3 GLY 75 14.630 -4.212 -0.526 616 H ALA 76 H ALA 76 14.581 -1.368 -2.634 617 HA ALA 76 HA ALA 76 15.647 0.261 -0.467 618 HB1 ALA 76 HB1 ALA 76 15.200 0.905 -3.388 619 HB2 ALA 76 HB2 ALA 76 16.709 0.336 -2.675 620 HB3 ALA 76 HB3 ALA 76 16.065 1.917 -2.231 621 H VAL 77 H VAL 77 14.559 2.779 -1.556 622 HA VAL 77 HA VAL 77 11.939 2.725 -0.273 623 HB VAL 77 HB VAL 77 13.015 5.265 -1.448 624 HG11 VAL 77 HG11 VAL 77 10.917 5.308 -0.228 625 HG12 VAL 77 HG12 VAL 77 12.146 6.222 0.646 626 HG13 VAL 77 HG13 VAL 77 11.699 4.605 1.188 627 HG21 VAL 77 HG21 VAL 77 15.041 4.291 -0.476 628 HG22 VAL 77 HG22 VAL 77 14.199 4.055 1.055 629 HG23 VAL 77 HG23 VAL 77 14.494 5.686 0.453 630 H ALA 78 H ALA 78 10.731 4.906 -1.866 631 HA ALA 78 HA ALA 78 9.539 3.518 -3.969 632 HB1 ALA 78 HB1 ALA 78 9.779 6.512 -3.645 633 HB2 ALA 78 HB2 ALA 78 8.552 5.496 -2.886 634 HB3 ALA 78 HB3 ALA 78 8.600 5.658 -4.641 635 H SER 79 H SER 79 11.780 6.243 -4.222 636 HA SER 79 HA SER 79 13.449 6.842 -5.592 637 HB2 SER 79 HB2 SER 79 13.271 4.078 -6.819 638 HB3 SER 79 HB3 SER 79 14.581 5.237 -7.051 639 HG SER 79 HG SER 79 14.382 3.441 -5.163 640 H ILE 80 H ILE 80 10.835 5.178 -7.307 641 HA ILE 80 HA ILE 80 11.059 6.692 -9.698 642 HB ILE 80 HB ILE 80 10.028 4.599 -9.938 643 HG12 ILE 80 HG12 ILE 80 7.773 6.616 -10.012 644 HG13 ILE 80 HG13 ILE 80 8.923 6.298 -11.303 645 HG21 ILE 80 HG21 ILE 80 8.092 5.291 -7.741 646 HG22 ILE 80 HG22 ILE 80 9.446 4.165 -7.643 647 HG23 ILE 80 HG23 ILE 80 8.078 3.807 -8.698 648 HD11 ILE 80 HD11 ILE 80 6.761 5.258 -11.724 649 HD12 ILE 80 HD12 ILE 80 6.915 4.332 -10.227 650 HD13 ILE 80 HD13 ILE 80 8.040 4.054 -11.558 651 H ASN 81 H ASN 81 8.837 6.914 -6.925 652 HA ASN 81 HA ASN 81 7.659 8.545 -5.948 653 HB2 ASN 81 HB2 ASN 81 9.425 10.468 -7.471 654 HB3 ASN 81 HB3 ASN 81 8.312 10.918 -6.181 655 HD21 ASN 81 HD21 ASN 81 11.386 9.695 -6.982 656 HD22 ASN 81 HD22 ASN 81 11.973 9.469 -5.371 657 H TYR 82 H TYR 82 5.633 9.120 -6.201 658 HA TYR 82 HA TYR 82 4.475 9.137 -8.826 659 HB2 TYR 82 HB2 TYR 82 2.361 9.118 -7.769 660 HB3 TYR 82 HB3 TYR 82 3.394 8.212 -6.676 661 HD1 TYR 82 HD1 TYR 82 4.452 9.656 -4.705 662 HD2 TYR 82 HD2 TYR 82 0.987 10.760 -6.910 663 HE1 TYR 82 HE1 TYR 82 3.772 11.147 -2.877 664 HE2 TYR 82 HE2 TYR 82 0.295 12.256 -5.088 665 HH TYR 82 HH TYR 82 0.707 12.454 -2.594 666 H LYS 83 H LYS 83 3.030 10.858 -9.607 667 HA LYS 83 HA LYS 83 2.351 12.920 -10.148 668 HB2 LYS 83 HB2 LYS 83 2.204 13.443 -7.734 669 HB3 LYS 83 HB3 LYS 83 3.872 13.985 -7.760 670 HG2 LYS 83 HG2 LYS 83 2.296 15.852 -7.800 671 HG3 LYS 83 HG3 LYS 83 3.296 15.808 -9.250 672 HD2 LYS 83 HD2 LYS 83 0.969 16.345 -9.784 673 HD3 LYS 83 HD3 LYS 83 1.451 14.812 -10.506 674 HE2 LYS 83 HE2 LYS 83 -0.784 14.633 -9.589 675 HE3 LYS 83 HE3 LYS 83 0.322 13.616 -8.667 676 HZ1 LYS 83 HZ1 LYS 83 -0.669 16.298 -7.869 677 HZ2 LYS 83 HZ2 LYS 83 0.430 15.360 -6.983 678 HZ3 LYS 83 HZ3 LYS 83 -1.157 14.813 -7.210 679 H LYS 84 H LYS 84 5.785 12.754 -9.304 680 HA LYS 84 HA LYS 84 6.447 14.486 -11.537 681 HB2 LYS 84 HB2 LYS 84 8.814 14.063 -10.900 682 HB3 LYS 84 HB3 LYS 84 7.852 14.732 -9.594 683 HG2 LYS 84 HG2 LYS 84 8.325 13.019 -8.267 684 HG3 LYS 84 HG3 LYS 84 7.856 11.848 -9.499 685 HD2 LYS 84 HD2 LYS 84 10.522 13.263 -9.482 686 HD3 LYS 84 HD3 LYS 84 10.248 11.700 -8.706 687 HE2 LYS 84 HE2 LYS 84 9.631 10.711 -10.820 688 HE3 LYS 84 HE3 LYS 84 9.738 12.275 -11.623 689 HZ1 LYS 84 HZ1 LYS 84 11.697 11.000 -12.070 690 HZ2 LYS 84 HZ2 LYS 84 11.985 10.752 -10.423 691 HZ3 LYS 84 HZ3 LYS 84 12.116 12.308 -11.080 692 H ALA 85 H ALA 85 6.021 11.136 -10.886 693 HA ALA 85 HA ALA 85 7.406 10.265 -13.279 694 HB1 ALA 85 HB1 ALA 85 7.404 8.820 -11.299 695 HB2 ALA 85 HB2 ALA 85 6.647 8.030 -12.683 696 HB3 ALA 85 HB3 ALA 85 5.647 8.700 -11.394 697 H SER 86 H SER 86 6.398 9.291 -15.038 698 HA SER 86 HA SER 86 3.744 10.322 -15.622 699 HB2 SER 86 HB2 SER 86 5.711 8.854 -17.399 700 HB3 SER 86 HB3 SER 86 4.251 9.688 -17.929 701 HG SER 86 HG SER 86 5.562 11.468 -16.559 702 H ALA 87 H ALA 87 2.358 8.751 -16.997 703 HA ALA 87 HA ALA 87 1.763 6.363 -15.561 704 HB1 ALA 87 HB1 ALA 87 0.152 5.905 -17.332 705 HB2 ALA 87 HB2 ALA 87 0.880 7.160 -18.334 706 HB3 ALA 87 HB3 ALA 87 0.063 7.594 -16.833 707 H ASP 88 H ASP 88 3.715 7.086 -18.356 708 HA ASP 88 HA ASP 88 4.266 4.482 -19.307 709 HB2 ASP 88 HB2 ASP 88 6.142 6.858 -19.310 710 HB3 ASP 88 HB3 ASP 88 6.177 5.493 -20.420 711 H GLU 89 H GLU 89 5.863 6.539 -16.932 712 HA GLU 89 HA GLU 89 8.057 4.835 -16.353 713 HB2 GLU 89 HB2 GLU 89 6.833 7.062 -14.714 714 HB3 GLU 89 HB3 GLU 89 8.402 6.329 -14.415 715 HG2 GLU 89 HG2 GLU 89 7.625 7.845 -16.892 716 HG3 GLU 89 HG3 GLU 89 8.568 8.490 -15.550 717 H LEU 90 H LEU 90 4.882 5.275 -14.958 718 HA LEU 90 HA LEU 90 5.327 3.815 -12.558 719 HB2 LEU 90 HB2 LEU 90 3.585 5.611 -13.009 720 HB3 LEU 90 HB3 LEU 90 2.683 4.385 -13.879 721 HG LEU 90 HG LEU 90 2.878 3.034 -11.668 722 HD11 LEU 90 HD11 LEU 90 4.448 4.510 -10.560 723 HD12 LEU 90 HD12 LEU 90 2.921 4.468 -9.679 724 HD13 LEU 90 HD13 LEU 90 3.316 5.854 -10.697 725 HD21 LEU 90 HD21 LEU 90 0.805 4.006 -10.902 726 HD22 LEU 90 HD22 LEU 90 0.820 3.885 -12.664 727 HD23 LEU 90 HD23 LEU 90 1.095 5.443 -11.883 728 H HIS 91 H HIS 91 3.884 3.034 -15.712 729 HA HIS 91 HA HIS 91 3.070 0.407 -15.033 730 HB2 HIS 91 HB2 HIS 91 2.278 1.880 -16.988 731 HB3 HIS 91 HB3 HIS 91 3.744 1.373 -17.815 732 HD1 HIS 91 HD1 HIS 91 3.842 -1.078 -18.679 733 HD2 HIS 91 HD2 HIS 91 0.263 -0.060 -16.813 734 HE1 HIS 91 HE1 HIS 91 2.220 -2.910 -19.271 735 HE2 HIS 91 HE2 HIS 91 0.018 -2.177 -18.298 736 H ALA 92 H ALA 92 6.047 1.783 -16.370 737 HA ALA 92 HA ALA 92 7.269 -0.680 -17.086 738 HB1 ALA 92 HB1 ALA 92 7.949 1.484 -18.024 739 HB2 ALA 92 HB2 ALA 92 9.311 0.601 -17.332 740 HB3 ALA 92 HB3 ALA 92 8.592 1.953 -16.452 741 H TYR 93 H TYR 93 7.048 1.083 -14.097 742 HA TYR 93 HA TYR 93 9.171 -0.242 -12.734 743 HB2 TYR 93 HB2 TYR 93 8.209 1.994 -12.105 744 HB3 TYR 93 HB3 TYR 93 6.766 1.162 -11.544 745 HD1 TYR 93 HD2 TYR 93 10.396 1.567 -10.941 746 HD2 TYR 93 HD1 TYR 93 6.691 0.193 -9.363 747 HE1 TYR 93 HE2 TYR 93 11.444 1.296 -8.734 748 HE2 TYR 93 HE1 TYR 93 7.731 -0.078 -7.152 749 HH TYR 93 HH TYR 93 10.840 1.173 -6.404 750 H PHE 94 H PHE 94 5.624 -0.702 -12.803 751 HA PHE 94 HA PHE 94 5.797 -2.758 -10.783 752 HB2 PHE 94 HB2 PHE 94 3.957 -0.950 -11.043 753 HB3 PHE 94 HB3 PHE 94 3.293 -2.027 -12.267 754 HD1 PHE 94 HD1 PHE 94 3.962 -1.571 -8.703 755 HD2 PHE 94 HD2 PHE 94 2.290 -4.139 -11.651 756 HE1 PHE 94 HE1 PHE 94 2.833 -2.862 -6.940 757 HE2 PHE 94 HE2 PHE 94 1.163 -5.429 -9.897 758 HZ PHE 94 HZ PHE 94 1.432 -4.792 -7.540 759 H ALA 95 H ALA 95 5.278 -2.586 -14.286 760 HA ALA 95 HA ALA 95 4.334 -5.312 -14.466 761 HB1 ALA 95 HB1 ALA 95 3.508 -3.576 -16.003 762 HB2 ALA 95 HB2 ALA 95 4.192 -4.966 -16.849 763 HB3 ALA 95 HB3 ALA 95 5.119 -3.472 -16.713 764 H GLU 96 H GLU 96 7.344 -4.123 -14.029 765 HA GLU 96 HA GLU 96 8.847 -5.881 -15.719 766 HB2 GLU 96 HB2 GLU 96 9.658 -3.696 -14.859 767 HB3 GLU 96 HB3 GLU 96 9.676 -4.367 -13.238 768 HG2 GLU 96 HG2 GLU 96 11.442 -5.850 -13.774 769 HG3 GLU 96 HG3 GLU 96 11.286 -5.509 -15.500 770 H VAL 97 H VAL 97 7.555 -5.965 -12.447 771 HA VAL 97 HA VAL 97 8.684 -8.643 -12.050 772 HB VAL 97 HB VAL 97 7.201 -6.951 -10.022 773 HG11 VAL 97 HG11 VAL 97 7.147 -9.339 -9.514 774 HG12 VAL 97 HG12 VAL 97 8.172 -8.475 -8.367 775 HG13 VAL 97 HG13 VAL 97 8.903 -9.420 -9.664 776 HG21 VAL 97 HG21 VAL 97 10.171 -7.331 -10.364 777 HG22 VAL 97 HG22 VAL 97 9.379 -6.451 -9.054 778 HG23 VAL 97 HG23 VAL 97 9.267 -5.856 -10.712 779 H LEU 98 H LEU 98 5.595 -6.891 -12.144 780 HA LEU 98 HA LEU 98 4.217 -9.479 -12.450 781 HB2 LEU 98 HB2 LEU 98 3.252 -6.863 -11.314 782 HB3 LEU 98 HB3 LEU 98 2.114 -8.026 -11.952 783 HG LEU 98 HG LEU 98 2.088 -8.367 -9.648 784 HD11 LEU 98 HD11 LEU 98 2.235 -10.453 -10.861 785 HD12 LEU 98 HD12 LEU 98 3.013 -10.588 -9.284 786 HD13 LEU 98 HD13 LEU 98 3.994 -10.420 -10.741 787 HD21 LEU 98 HD21 LEU 98 5.100 -8.316 -9.634 788 HD22 LEU 98 HD22 LEU 98 4.069 -8.640 -8.240 789 HD23 LEU 98 HD23 LEU 98 4.024 -7.060 -9.020 790 HA PRO 99 HA PRO 99 3.987 -7.493 -16.579 791 HB2 PRO 99 HB2 PRO 99 4.179 -9.728 -18.064 792 HB3 PRO 99 HB3 PRO 99 5.584 -8.961 -17.319 793 HG2 PRO 99 HG2 PRO 99 4.059 -11.378 -16.452 794 HG3 PRO 99 HG3 PRO 99 5.805 -11.074 -16.410 795 HD2 PRO 99 HD2 PRO 99 4.107 -10.840 -14.243 796 HD3 PRO 99 HD3 PRO 99 5.684 -10.040 -14.385 797 H ASN 100 H ASN 100 1.925 -9.684 -15.009 798 HA ASN 100 HA ASN 100 -0.090 -9.801 -17.094 799 HB2 ASN 100 HB2 ASN 100 0.479 -11.650 -15.407 800 HB3 ASN 100 HB3 ASN 100 -0.375 -10.683 -14.221 801 HD21 ASN 100 HD21 ASN 100 -2.612 -10.511 -14.346 802 HD22 ASN 100 HD22 ASN 100 -3.555 -11.620 -15.274 803 H TYR 101 H TYR 101 0.849 -7.648 -14.671 804 HA TYR 101 HA TYR 101 -1.673 -6.586 -13.900 805 HB2 TYR 101 HB2 TYR 101 -0.291 -5.760 -12.329 806 HB3 TYR 101 HB3 TYR 101 1.124 -6.109 -13.304 807 HD1 TYR 101 HD2 TYR 101 -1.380 -3.507 -12.466 808 HD2 TYR 101 HD1 TYR 101 2.262 -4.362 -14.484 809 HE1 TYR 101 HE2 TYR 101 -0.968 -1.106 -12.723 810 HE2 TYR 101 HE1 TYR 101 2.683 -1.957 -14.742 811 HH TYR 101 HH TYR 101 0.952 0.407 -13.051 812 H ASP 102 H ASP 102 -2.970 -5.264 -14.916 813 HA ASP 102 HA ASP 102 -1.869 -3.088 -16.439 814 HB2 ASP 102 HB2 ASP 102 -2.624 -5.197 -17.966 815 HB3 ASP 102 HB3 ASP 102 -4.150 -4.319 -17.862 816 H ARG 103 H ARG 103 -3.942 -1.762 -17.264 817 HA ARG 103 HA ARG 103 -4.541 -0.392 -14.926 818 HB2 ARG 103 HB2 ARG 103 -5.959 1.021 -16.418 819 HB3 ARG 103 HB3 ARG 103 -4.332 0.722 -17.012 820 HG2 ARG 103 HG2 ARG 103 -5.342 -1.165 -18.388 821 HG3 ARG 103 HG3 ARG 103 -6.915 -0.483 -17.986 822 HD2 ARG 103 HD2 ARG 103 -4.700 1.062 -19.318 823 HD3 ARG 103 HD3 ARG 103 -5.960 0.208 -20.199 824 HE ARG 103 HE ARG 103 -6.269 2.646 -18.614 825 HH11 ARG 103 HH11 ARG 103 -7.828 0.146 -20.559 826 HH12 ARG 103 HH12 ARG 103 -9.203 1.141 -20.940 827 HH21 ARG 103 HH21 ARG 103 -8.078 3.923 -19.117 828 HH22 ARG 103 HH22 ARG 103 -9.337 3.293 -20.135 829 H ASP 104 H ASP 104 -6.491 -2.917 -16.321 830 HA ASP 104 HA ASP 104 -8.987 -1.931 -15.264 831 HB2 ASP 104 HB2 ASP 104 -8.410 -4.692 -16.344 832 HB3 ASP 104 HB3 ASP 104 -9.989 -3.935 -16.156 833 H ARG 105 H ARG 105 -6.860 -4.665 -14.501 834 HA ARG 105 HA ARG 105 -8.554 -5.374 -12.243 835 HB2 ARG 105 HB2 ARG 105 -6.140 -6.747 -13.430 836 HB3 ARG 105 HB3 ARG 105 -7.009 -7.334 -12.021 837 HG2 ARG 105 HG2 ARG 105 -7.945 -8.617 -13.657 838 HG3 ARG 105 HG3 ARG 105 -9.069 -7.261 -13.639 839 HD2 ARG 105 HD2 ARG 105 -7.898 -6.264 -15.545 840 HD3 ARG 105 HD3 ARG 105 -6.767 -7.615 -15.561 841 HE ARG 105 HE ARG 105 -9.181 -8.821 -15.785 842 HH11 ARG 105 HH11 ARG 105 -7.631 -6.246 -17.618 843 HH12 ARG 105 HH12 ARG 105 -8.441 -6.636 -19.101 844 HH21 ARG 105 HH21 ARG 105 -10.244 -9.323 -17.735 845 HH22 ARG 105 HH22 ARG 105 -9.927 -8.380 -19.165 846 H VAL 106 H VAL 106 -5.261 -4.317 -12.913 847 HA VAL 106 HA VAL 106 -5.016 -3.527 -10.081 848 HB VAL 106 HB VAL 106 -2.695 -3.820 -11.999 849 HG11 VAL 106 HG11 VAL 106 -2.813 -3.709 -8.996 850 HG12 VAL 106 HG12 VAL 106 -2.318 -2.402 -10.070 851 HG13 VAL 106 HG13 VAL 106 -1.351 -3.873 -9.967 852 HG21 VAL 106 HG21 VAL 106 -2.143 -5.959 -10.957 853 HG22 VAL 106 HG22 VAL 106 -3.702 -6.028 -11.781 854 HG23 VAL 106 HG23 VAL 106 -3.639 -5.893 -10.024 855 H HIS 107 H HIS 107 -5.650 -1.437 -10.010 856 HA HIS 107 HA HIS 107 -5.909 0.060 -12.414 857 HB2 HIS 107 HB2 HIS 107 -6.343 0.934 -9.553 858 HB3 HIS 107 HB3 HIS 107 -6.796 1.872 -10.970 859 HD1 HIS 107 HD1 HIS 107 -8.014 -0.652 -8.676 860 HD2 HIS 107 HD2 HIS 107 -8.861 0.523 -12.574 861 HE1 HIS 107 HE1 HIS 107 -10.275 -1.627 -9.201 862 HE2 HIS 107 HE2 HIS 107 -10.658 -1.084 -11.630 863 H ASN 108 H ASN 108 -5.142 2.136 -12.865 864 HA ASN 108 HA ASN 108 -2.311 2.398 -12.552 865 HB2 ASN 108 HB2 ASN 108 -3.901 3.017 -14.541 866 HB3 ASN 108 HB3 ASN 108 -4.113 4.530 -13.675 867 HD21 ASN 108 HD21 ASN 108 -2.910 3.894 -16.291 868 HD22 ASN 108 HD22 ASN 108 -1.324 4.573 -16.243 869 H GLY 109 H GLY 109 -5.135 3.809 -11.060 870 HA2 GLY 109 HA2 GLY 109 -3.726 5.801 -9.551 871 HA3 GLY 109 HA3 GLY 109 -5.383 5.269 -9.291 872 H ASP 110 H ASP 110 -4.510 2.410 -9.078 873 HA ASP 110 HA ASP 110 -4.090 2.288 -6.271 874 HB2 ASP 110 HB2 ASP 110 -4.058 0.178 -8.416 875 HB3 ASP 110 HB3 ASP 110 -3.630 -0.205 -6.756 876 H ILE 111 H ILE 111 -1.939 2.110 -9.007 877 HA ILE 111 HA ILE 111 0.297 1.276 -7.421 878 HB ILE 111 HB ILE 111 0.446 2.447 -10.201 879 HG12 ILE 111 HG12 ILE 111 -1.130 0.592 -10.263 880 HG13 ILE 111 HG13 ILE 111 0.378 0.121 -11.036 881 HG21 ILE 111 HG21 ILE 111 2.498 1.103 -10.378 882 HG22 ILE 111 HG22 ILE 111 2.285 0.571 -8.710 883 HG23 ILE 111 HG23 ILE 111 2.598 2.272 -9.059 884 HD11 ILE 111 HD11 ILE 111 -0.529 -1.675 -9.671 885 HD12 ILE 111 HD12 ILE 111 -0.486 -0.631 -8.251 886 HD13 ILE 111 HD13 ILE 111 1.019 -1.118 -9.032 887 H LYS 112 H LYS 112 -1.051 4.398 -8.420 888 HA LYS 112 HA LYS 112 1.333 5.866 -7.751 889 HB2 LYS 112 HB2 LYS 112 -1.478 6.824 -8.246 890 HB3 LYS 112 HB3 LYS 112 -0.138 7.899 -7.863 891 HG2 LYS 112 HG2 LYS 112 1.042 6.855 -9.856 892 HG3 LYS 112 HG3 LYS 112 -0.537 6.196 -10.288 893 HD2 LYS 112 HD2 LYS 112 -1.404 8.570 -10.117 894 HD3 LYS 112 HD3 LYS 112 0.289 9.069 -10.069 895 HE2 LYS 112 HE2 LYS 112 -0.488 9.202 -12.338 896 HE3 LYS 112 HE3 LYS 112 0.656 7.866 -12.200 897 HZ1 LYS 112 HZ1 LYS 112 -1.126 6.305 -12.195 898 HZ2 LYS 112 HZ2 LYS 112 -1.377 7.350 -13.506 899 HZ3 LYS 112 HZ3 LYS 112 -2.290 7.532 -12.089 900 H LYS 113 H LYS 113 -1.647 5.073 -6.034 901 HA LYS 113 HA LYS 113 -1.053 6.588 -3.698 902 HB2 LYS 113 HB2 LYS 113 -2.760 5.233 -2.581 903 HB3 LYS 113 HB3 LYS 113 -3.330 5.732 -4.167 904 HG2 LYS 113 HG2 LYS 113 -2.767 3.512 -5.054 905 HG3 LYS 113 HG3 LYS 113 -2.218 3.023 -3.456 906 HD2 LYS 113 HD2 LYS 113 -4.416 2.148 -3.796 907 HD3 LYS 113 HD3 LYS 113 -4.526 3.445 -2.607 908 HE2 LYS 113 HE2 LYS 113 -5.428 4.950 -4.224 909 HE3 LYS 113 HE3 LYS 113 -5.083 3.830 -5.542 910 HZ1 LYS 113 HZ1 LYS 113 -6.704 2.308 -4.666 911 HZ2 LYS 113 HZ2 LYS 113 -7.426 3.822 -4.900 912 HZ3 LYS 113 HZ3 LYS 113 -7.006 3.318 -3.335 913 H LEU 114 H LEU 114 -0.082 3.478 -4.897 914 HA LEU 114 HA LEU 114 1.005 2.423 -2.504 915 HB2 LEU 114 HB2 LEU 114 0.361 0.873 -4.146 916 HB3 LEU 114 HB3 LEU 114 1.092 1.783 -5.443 917 HG LEU 114 HG LEU 114 2.832 0.332 -3.459 918 HD11 LEU 114 HD11 LEU 114 1.541 -0.836 -5.922 919 HD12 LEU 114 HD12 LEU 114 1.185 -1.287 -4.254 920 HD13 LEU 114 HD13 LEU 114 2.778 -1.612 -4.934 921 HD21 LEU 114 HD21 LEU 114 3.942 1.816 -5.018 922 HD22 LEU 114 HD22 LEU 114 3.119 1.035 -6.373 923 HD23 LEU 114 HD23 LEU 114 4.298 0.132 -5.418 924 H ILE 115 H ILE 115 2.371 4.320 -5.200 925 HA ILE 115 HA ILE 115 5.066 4.265 -4.232 926 HB ILE 115 HB ILE 115 3.924 6.442 -5.996 927 HG12 ILE 115 HG12 ILE 115 3.404 4.219 -6.985 928 HG13 ILE 115 HG13 ILE 115 4.510 5.172 -7.959 929 HG21 ILE 115 HG21 ILE 115 6.707 5.320 -5.716 930 HG22 ILE 115 HG22 ILE 115 6.140 6.880 -5.118 931 HG23 ILE 115 HG23 ILE 115 6.220 6.577 -6.854 932 HD11 ILE 115 HD11 ILE 115 5.127 2.816 -7.914 933 HD12 ILE 115 HD12 ILE 115 5.284 2.882 -6.159 934 HD13 ILE 115 HD13 ILE 115 6.378 3.817 -7.179 935 H SER 116 H SER 116 2.283 6.330 -3.688 936 HA SER 116 HA SER 116 3.529 8.432 -2.290 937 HB2 SER 116 HB2 SER 116 1.212 8.549 -3.122 938 HB3 SER 116 HB3 SER 116 0.732 7.315 -1.959 939 HG SER 116 HG SER 116 1.858 9.080 -0.485 940 H TRP 117 H TRP 117 2.285 5.288 -1.222 941 HA TRP 117 HA TRP 117 2.903 5.850 1.550 942 HB2 TRP 117 HB2 TRP 117 1.906 3.293 0.272 943 HB3 TRP 117 HB3 TRP 117 2.031 3.599 2.006 944 HD1 TRP 117 HD1 TRP 117 0.814 6.597 1.894 945 HE1 TRP 117 HE1 TRP 117 -1.704 6.881 1.520 946 HE3 TRP 117 HE3 TRP 117 -0.268 2.031 -0.139 947 HZ2 TRP 117 HZ2 TRP 117 -3.870 5.407 0.539 948 HZ3 TRP 117 HZ3 TRP 117 -2.599 1.553 -0.759 949 HH2 TRP 117 HH2 TRP 117 -4.361 3.206 -0.427 950 H TYR 118 H TYR 118 4.543 4.613 -1.117 951 HA TYR 118 HA TYR 118 6.152 2.555 -0.191 952 HB2 TYR 118 HB2 TYR 118 5.995 4.285 -2.439 953 HB3 TYR 118 HB3 TYR 118 7.672 4.194 -1.934 954 HD1 TYR 118 HD1 TYR 118 6.252 1.151 -1.004 955 HD2 TYR 118 HD2 TYR 118 7.502 3.342 -4.419 956 HE1 TYR 118 HE1 TYR 118 6.521 -0.948 -2.247 957 HE2 TYR 118 HE2 TYR 118 7.779 1.268 -5.675 958 HH TYR 118 HH TYR 118 6.589 -1.723 -4.517 959 H ASN 119 H ASN 119 6.776 6.028 -0.143 960 HA ASN 119 HA ASN 119 9.413 5.856 0.935 961 HB2 ASN 119 HB2 ASN 119 7.511 8.206 1.031 962 HB3 ASN 119 HB3 ASN 119 9.253 8.270 1.253 963 HD21 ASN 119 HD21 ASN 119 10.608 8.090 -0.547 964 HD22 ASN 119 HD22 ASN 119 10.000 8.248 -2.161 965 H ILE 120 H ILE 120 6.258 5.972 2.298 966 HA ILE 120 HA ILE 120 6.971 6.620 4.996 967 HB ILE 120 HB ILE 120 4.439 5.423 3.838 968 HG12 ILE 120 HG12 ILE 120 4.948 8.314 4.546 969 HG13 ILE 120 HG13 ILE 120 5.194 7.673 2.927 970 HG21 ILE 120 HG21 ILE 120 3.333 6.278 5.852 971 HG22 ILE 120 HG22 ILE 120 4.900 6.775 6.495 972 HG23 ILE 120 HG23 ILE 120 4.555 5.061 6.230 973 HD11 ILE 120 HD11 ILE 120 2.840 7.071 2.799 974 HD12 ILE 120 HD12 ILE 120 3.047 8.790 3.138 975 HD13 ILE 120 HD13 ILE 120 2.588 7.685 4.434 976 H LEU 121 H LEU 121 6.328 3.670 3.163 977 HA LEU 121 HA LEU 121 6.074 1.821 5.261 978 HB2 LEU 121 HB2 LEU 121 7.057 1.423 2.434 979 HB3 LEU 121 HB3 LEU 121 6.651 0.119 3.530 980 HG LEU 121 HG LEU 121 4.647 2.204 2.700 981 HD11 LEU 121 HD11 LEU 121 5.497 1.135 0.700 982 HD12 LEU 121 HD12 LEU 121 3.858 0.582 1.050 983 HD13 LEU 121 HD13 LEU 121 5.237 -0.455 1.419 984 HD21 LEU 121 HD21 LEU 121 4.340 -0.597 3.773 985 HD22 LEU 121 HD22 LEU 121 3.032 0.517 3.369 986 HD23 LEU 121 HD23 LEU 121 4.125 0.885 4.705 987 H VAL 122 H VAL 122 8.868 2.508 3.207 988 HA VAL 122 HA VAL 122 10.626 0.654 4.378 989 HB VAL 122 HB VAL 122 11.374 3.144 2.808 990 HG11 VAL 122 HG11 VAL 122 12.813 0.501 3.043 991 HG12 VAL 122 HG12 VAL 122 13.318 2.020 3.781 992 HG13 VAL 122 HG13 VAL 122 13.295 1.858 2.025 993 HG21 VAL 122 HG21 VAL 122 9.649 1.892 1.644 994 HG22 VAL 122 HG22 VAL 122 10.597 0.412 1.799 995 HG23 VAL 122 HG23 VAL 122 11.196 1.743 0.807 996 H ASN 123 H ASN 123 9.768 3.822 5.459 997 HA ASN 123 HA ASN 123 11.963 4.591 7.007 998 HB2 ASN 123 HB2 ASN 123 9.022 5.105 7.152 999 HB3 ASN 123 HB3 ASN 123 10.031 5.611 8.498 1000 HD21 ASN 123 HD21 ASN 123 11.485 5.647 5.379 1001 HD22 ASN 123 HD22 ASN 123 11.397 7.350 5.117 1002 H ASN 124 H ASN 124 9.263 2.463 7.851 1003 HA ASN 124 HA ASN 124 10.729 1.664 10.286 1004 HB2 ASN 124 HB2 ASN 124 7.749 1.728 9.768 1005 HB3 ASN 124 HB3 ASN 124 8.480 0.944 11.166 1006 HD21 ASN 124 HD21 ASN 124 7.743 3.966 9.637 1007 HD22 ASN 124 HD22 ASN 124 8.083 4.972 11.000 1008 H GLY 125 H GLY 125 10.284 0.717 7.272 1009 HA2 GLY 125 HA2 GLY 125 10.688 -1.345 6.267 1010 HA3 GLY 125 HA3 GLY 125 10.504 -2.123 7.843 1011 H ILE 126 H ILE 126 8.148 -1.533 8.692 1012 HA ILE 126 HA ILE 126 6.074 -2.351 8.795 1013 HB ILE 126 HB ILE 126 5.789 -1.784 5.836 1014 HG12 ILE 126 HG12 ILE 126 6.510 0.248 6.948 1015 HG13 ILE 126 HG13 ILE 126 4.815 0.379 6.508 1016 HG21 ILE 126 HG21 ILE 126 4.028 -3.214 6.730 1017 HG22 ILE 126 HG22 ILE 126 3.392 -1.612 6.350 1018 HG23 ILE 126 HG23 ILE 126 3.724 -2.055 8.024 1019 HD11 ILE 126 HD11 ILE 126 5.223 1.343 8.677 1020 HD12 ILE 126 HD12 ILE 126 5.904 -0.179 9.256 1021 HD13 ILE 126 HD13 ILE 126 4.195 -0.082 8.828 1022 H THR 127 H THR 127 6.478 -4.339 9.382 1023 HA THR 127 HA THR 127 7.602 -6.274 7.549 1024 HB THR 127 HB THR 127 8.540 -5.940 9.800 1025 HG1 THR 127 HG1 THR 127 7.547 -8.478 9.069 1026 HG21 THR 127 HG21 THR 127 5.954 -7.123 10.827 1027 HG22 THR 127 HG22 THR 127 6.504 -5.465 11.063 1028 HG23 THR 127 HG23 THR 127 7.393 -6.799 11.797 1029 H GLU 128 H GLU 128 4.749 -5.436 7.324 1030 HA GLU 128 HA GLU 128 3.243 -7.865 7.800 1031 HB2 GLU 128 HB2 GLU 128 2.518 -5.274 6.404 1032 HB3 GLU 128 HB3 GLU 128 1.399 -6.609 6.684 1033 HG2 GLU 128 HG2 GLU 128 1.617 -6.360 9.057 1034 HG3 GLU 128 HG3 GLU 128 2.867 -5.138 8.850 1035 H PHE 129 H PHE 129 5.380 -6.746 5.486 1036 HA PHE 129 HA PHE 129 4.566 -8.792 3.612 1037 HB2 PHE 129 HB2 PHE 129 4.721 -7.235 1.674 1038 HB3 PHE 129 HB3 PHE 129 3.332 -6.984 2.713 1039 HD1 PHE 129 HD1 PHE 129 3.358 -5.015 4.302 1040 HD2 PHE 129 HD2 PHE 129 6.203 -5.512 1.184 1041 HE1 PHE 129 HE1 PHE 129 3.902 -2.630 4.410 1042 HE2 PHE 129 HE2 PHE 129 6.760 -3.128 1.308 1043 HZ PHE 129 HZ PHE 129 5.607 -1.687 2.920 1044 H VAL 130 H VAL 130 6.981 -6.288 4.380 1045 HA VAL 130 HA VAL 130 8.996 -7.686 2.849 1046 HB VAL 130 HB VAL 130 10.606 -6.025 3.724 1047 HG11 VAL 130 HG11 VAL 130 8.081 -4.731 2.733 1048 HG12 VAL 130 HG12 VAL 130 9.341 -5.447 1.726 1049 HG13 VAL 130 HG13 VAL 130 9.695 -4.022 2.705 1050 HG21 VAL 130 HG21 VAL 130 8.254 -4.926 5.210 1051 HG22 VAL 130 HG22 VAL 130 9.824 -4.140 5.044 1052 HG23 VAL 130 HG23 VAL 130 9.689 -5.670 5.915 1053 H GLU 131 H GLU 131 10.998 -8.425 3.824 1054 HA GLU 131 HA GLU 131 10.572 -9.839 6.321 1055 HB2 GLU 131 HB2 GLU 131 12.832 -9.831 4.322 1056 HB3 GLU 131 HB3 GLU 131 12.889 -10.739 5.827 1057 HG2 GLU 131 HG2 GLU 131 10.966 -12.041 5.150 1058 HG3 GLU 131 HG3 GLU 131 10.808 -11.084 3.678 1059 H ALA 132 H ALA 132 12.069 -6.932 5.243 1060 HA ALA 132 HA ALA 132 13.829 -6.783 7.585 1061 HB1 ALA 132 HB1 ALA 132 14.958 -4.973 6.425 1062 HB2 ALA 132 HB2 ALA 132 13.756 -5.025 5.136 1063 HB3 ALA 132 HB3 ALA 132 14.843 -6.391 5.383 1064 HA PRO 133 HA PRO 133 10.734 -3.841 9.138 1065 HB2 PRO 133 HB2 PRO 133 11.064 -4.377 11.737 1066 HB3 PRO 133 HB3 PRO 133 10.270 -5.531 10.663 1067 HG2 PRO 133 HG2 PRO 133 12.996 -5.604 11.836 1068 HG3 PRO 133 HG3 PRO 133 11.919 -6.943 11.407 1069 HD2 PRO 133 HD2 PRO 133 14.084 -5.910 9.881 1070 HD3 PRO 133 HD3 PRO 133 12.909 -7.144 9.387 1071 H ALA 134 H ALA 134 12.913 -2.662 8.160 1072 HA ALA 134 HA ALA 134 14.409 -0.999 8.206 1073 HB1 ALA 134 HB1 ALA 134 14.170 0.844 9.727 1074 HB2 ALA 134 HB2 ALA 134 13.205 -0.132 10.832 1075 HB3 ALA 134 HB3 ALA 134 12.567 0.289 9.242 1076 H LEU 135 H LEU 135 14.471 -1.159 11.728 1077 HA LEU 135 HA LEU 135 16.793 -2.856 11.779 1078 HB2 LEU 135 HB2 LEU 135 17.744 -0.605 11.250 1079 HB3 LEU 135 HB3 LEU 135 17.047 0.006 12.737 1080 HG LEU 135 HG LEU 135 18.476 -1.563 14.023 1081 HD11 LEU 135 HD11 LEU 135 18.767 -3.289 12.332 1082 HD12 LEU 135 HD12 LEU 135 20.330 -2.691 12.892 1083 HD13 LEU 135 HD13 LEU 135 19.694 -2.169 11.332 1084 HD21 LEU 135 HD21 LEU 135 19.975 0.238 12.126 1085 HD22 LEU 135 HD22 LEU 135 20.571 -0.364 13.673 1086 HD23 LEU 135 HD23 LEU 135 19.195 0.738 13.625 1087 H GLU 136 H GLU 136 15.824 -4.206 13.182 1088 HA GLU 136 HA GLU 136 15.551 -3.170 15.901 1089 HB2 GLU 136 HB2 GLU 136 13.283 -3.666 14.514 1090 HB3 GLU 136 HB3 GLU 136 13.595 -5.277 15.138 1091 HG2 GLU 136 HG2 GLU 136 13.344 -2.791 16.819 1092 HG3 GLU 136 HG3 GLU 136 12.069 -3.976 16.558 1093 H HIS 137 H HIS 137 17.598 -4.049 16.177 1094 HA HIS 137 HA HIS 137 17.633 -6.940 16.609 1095 HB2 HIS 137 HB2 HIS 137 19.502 -5.433 14.800 1096 HB3 HIS 137 HB3 HIS 137 20.090 -6.833 15.682 1097 HD1 HIS 137 HD1 HIS 137 19.469 -6.295 12.474 1098 HD2 HIS 137 HD2 HIS 137 17.568 -8.857 15.136 1099 HE1 HIS 137 HE1 HIS 137 18.427 -8.086 11.055 1100 HE2 HIS 137 HE2 HIS 137 17.397 -9.697 12.696 1101 H HIS 138 H HIS 138 17.558 -6.460 18.826 1102 HA HIS 138 HA HIS 138 20.118 -5.441 19.874 1103 HB2 HIS 138 HB2 HIS 138 17.346 -5.025 20.999 1104 HB3 HIS 138 HB3 HIS 138 18.797 -4.823 21.974 1105 HD1 HIS 138 HD1 HIS 138 16.615 -2.606 20.991 1106 HD2 HIS 138 HD2 HIS 138 20.524 -3.115 19.690 1107 HE1 HIS 138 HE1 HIS 138 17.316 -0.369 20.085 1108 HE2 HIS 138 HE2 HIS 138 19.709 -0.688 19.344 1109 H HIS 139 H HIS 139 17.294 -7.366 20.963 1110 HA HIS 139 HA HIS 139 18.893 -9.682 21.406 1111 HB2 HIS 139 HB2 HIS 139 18.529 -9.926 23.843 1112 HB3 HIS 139 HB3 HIS 139 19.591 -8.593 23.449 1113 HD1 HIS 139 HD1 HIS 139 17.122 -9.398 25.772 1114 HD2 HIS 139 HD2 HIS 139 17.849 -6.020 23.462 1115 HE1 HIS 139 HE1 HIS 139 15.995 -7.502 26.977 1116 HE2 HIS 139 HE2 HIS 139 16.662 -5.442 25.692 1117 H HIS 140 H HIS 140 17.676 -11.523 22.091 1118 HA HIS 140 HA HIS 140 16.025 -13.000 21.736 1119 HB2 HIS 140 HB2 HIS 140 14.279 -10.645 22.354 1120 HB3 HIS 140 HB3 HIS 140 13.573 -12.143 21.763 1121 HD1 HIS 140 HD1 HIS 140 13.234 -13.994 23.420 1122 HD2 HIS 140 HD2 HIS 140 15.550 -10.885 24.918 1123 HE1 HIS 140 HE1 HIS 140 13.473 -14.455 25.882 1124 HE2 HIS 140 HE2 HIS 140 14.699 -12.455 26.793 1125 H HIS 141 H HIS 141 16.314 -13.748 19.781 1126 HA HIS 141 HA HIS 141 14.652 -12.663 17.660 1127 HB2 HIS 141 HB2 HIS 141 16.382 -12.424 16.017 1128 HB3 HIS 141 HB3 HIS 141 16.886 -11.519 17.425 1129 HD1 HIS 141 HD1 HIS 141 18.835 -12.713 18.912 1130 HD2 HIS 141 HD2 HIS 141 18.206 -14.224 15.085 1131 HE1 HIS 141 HE1 HIS 141 20.887 -14.064 18.369 1132 HE2 HIS 141 HE2 HIS 141 20.475 -15.000 16.067 1133 H HIS 142 H HIS 142 13.837 -14.207 16.351 1134 HA HIS 142 HA HIS 142 14.805 -16.958 16.740 1135 HB2 HIS 142 HB2 HIS 142 12.381 -16.482 17.199 1136 HB3 HIS 142 HB3 HIS 142 12.186 -16.036 15.509 1137 HD1 HIS 142 HD1 HIS 142 11.861 -17.911 13.833 1138 HD2 HIS 142 HD2 HIS 142 12.829 -19.285 17.639 1139 HE1 HIS 142 HE1 HIS 142 11.531 -20.406 13.757 1140 HE2 HIS 142 HE2 HIS 142 12.052 -21.211 16.093 Start of MODEL 18 1 H1 MET 1 H1 MET 1 2.239 -8.571 10.513 2 H2 MET 1 H2 MET 1 3.258 -8.837 9.181 3 H3 MET 1 H3 MET 1 3.455 -9.748 10.589 4 HA MET 1 HA MET 1 2.334 -10.913 8.713 5 HB2 MET 1 HB2 MET 1 1.932 -10.999 11.467 6 HB3 MET 1 HB3 MET 1 0.306 -10.991 10.808 7 HG2 MET 1 HG2 MET 1 2.421 -12.921 9.900 8 HG3 MET 1 HG3 MET 1 1.357 -13.250 11.257 9 HE1 MET 1 HE1 MET 1 1.910 -13.697 7.521 10 HE2 MET 1 HE2 MET 1 1.174 -12.098 7.415 11 HE3 MET 1 HE3 MET 1 0.316 -13.506 6.786 12 H LEU 2 H LEU 2 1.800 -8.125 8.168 13 HA LEU 2 HA LEU 2 0.394 -6.785 7.038 14 HB2 LEU 2 HB2 LEU 2 -1.009 -9.398 6.606 15 HB3 LEU 2 HB3 LEU 2 -1.770 -7.910 6.094 16 HG LEU 2 HG LEU 2 0.276 -7.471 4.669 17 HD11 LEU 2 HD11 LEU 2 1.659 -9.382 4.044 18 HD12 LEU 2 HD12 LEU 2 0.860 -10.366 5.271 19 HD13 LEU 2 HD13 LEU 2 1.849 -8.988 5.754 20 HD21 LEU 2 HD21 LEU 2 -0.465 -9.011 2.909 21 HD22 LEU 2 HD22 LEU 2 -1.820 -8.246 3.739 22 HD23 LEU 2 HD23 LEU 2 -1.390 -9.916 4.107 23 H LYS 3 H LYS 3 -2.030 -6.056 6.923 24 HA LYS 3 HA LYS 3 -4.045 -5.459 7.755 25 HB2 LYS 3 HB2 LYS 3 -4.215 -7.783 8.648 26 HB3 LYS 3 HB3 LYS 3 -3.517 -7.216 10.155 27 HG2 LYS 3 HG2 LYS 3 -5.824 -7.298 10.540 28 HG3 LYS 3 HG3 LYS 3 -5.467 -5.591 10.276 29 HD2 LYS 3 HD2 LYS 3 -7.425 -6.024 9.030 30 HD3 LYS 3 HD3 LYS 3 -6.114 -5.984 7.847 31 HE2 LYS 3 HE2 LYS 3 -6.003 -8.436 7.914 32 HE3 LYS 3 HE3 LYS 3 -7.341 -8.459 9.057 33 HZ1 LYS 3 HZ1 LYS 3 -7.388 -7.612 6.224 34 HZ2 LYS 3 HZ2 LYS 3 -8.647 -7.271 7.301 35 HZ3 LYS 3 HZ3 LYS 3 -8.247 -8.878 6.951 36 H THR 4 H THR 4 -1.206 -5.055 9.587 37 HA THR 4 HA THR 4 -2.383 -3.544 11.753 38 HB THR 4 HB THR 4 0.567 -3.790 11.142 39 HG1 THR 4 HG1 THR 4 0.393 -5.854 11.564 40 HG21 THR 4 HG21 THR 4 0.801 -3.626 13.578 41 HG22 THR 4 HG22 THR 4 -0.949 -3.503 13.745 42 HG23 THR 4 HG23 THR 4 -0.050 -2.221 12.933 43 H ILE 5 H ILE 5 -0.721 -2.875 8.771 44 HA ILE 5 HA ILE 5 -0.592 -0.039 9.257 45 HB ILE 5 HB ILE 5 -0.033 -1.674 6.770 46 HG12 ILE 5 HG12 ILE 5 1.596 -1.923 8.594 47 HG13 ILE 5 HG13 ILE 5 2.303 -1.101 7.209 48 HG21 ILE 5 HG21 ILE 5 0.903 0.348 5.763 49 HG22 ILE 5 HG22 ILE 5 0.371 1.292 7.154 50 HG23 ILE 5 HG23 ILE 5 -0.820 0.537 6.092 51 HD11 ILE 5 HD11 ILE 5 2.048 1.044 8.347 52 HD12 ILE 5 HD12 ILE 5 3.018 -0.085 9.297 53 HD13 ILE 5 HD13 ILE 5 1.337 0.223 9.740 54 H LEU 6 H LEU 6 -2.266 1.178 9.154 55 HA LEU 6 HA LEU 6 -4.488 0.502 7.367 56 HB2 LEU 6 HB2 LEU 6 -4.257 2.106 9.892 57 HB3 LEU 6 HB3 LEU 6 -5.510 2.520 8.747 58 HG LEU 6 HG LEU 6 -6.355 1.127 10.562 59 HD11 LEU 6 HD11 LEU 6 -7.465 1.010 8.443 60 HD12 LEU 6 HD12 LEU 6 -7.482 -0.570 9.226 61 HD13 LEU 6 HD13 LEU 6 -6.361 -0.253 7.902 62 HD21 LEU 6 HD21 LEU 6 -5.759 -1.233 10.762 63 HD22 LEU 6 HD22 LEU 6 -4.384 -0.183 11.098 64 HD23 LEU 6 HD23 LEU 6 -4.497 -1.017 9.549 65 H SER 7 H SER 7 -5.060 1.868 5.783 66 HA SER 7 HA SER 7 -3.185 3.933 5.008 67 HB2 SER 7 HB2 SER 7 -5.743 3.006 3.651 68 HB3 SER 7 HB3 SER 7 -4.486 4.019 2.936 69 HG SER 7 HG SER 7 -3.310 2.302 2.577 70 H ILE 8 H ILE 8 -3.523 5.987 5.177 71 HA ILE 8 HA ILE 8 -6.019 6.991 6.373 72 HB ILE 8 HB ILE 8 -3.133 7.701 6.953 73 HG12 ILE 8 HG12 ILE 8 -4.000 5.704 8.112 74 HG13 ILE 8 HG13 ILE 8 -3.635 7.000 9.239 75 HG21 ILE 8 HG21 ILE 8 -5.561 9.132 8.002 76 HG22 ILE 8 HG22 ILE 8 -4.360 9.791 6.891 77 HG23 ILE 8 HG23 ILE 8 -3.903 9.387 8.548 78 HD11 ILE 8 HD11 ILE 8 -5.685 5.840 9.843 79 HD12 ILE 8 HD12 ILE 8 -6.385 6.239 8.273 80 HD13 ILE 8 HD13 ILE 8 -6.010 7.523 9.423 81 H ALA 9 H ALA 9 -6.788 8.966 5.522 82 HA ALA 9 HA ALA 9 -6.675 9.626 2.923 83 HB1 ALA 9 HB1 ALA 9 -6.808 11.688 5.106 84 HB2 ALA 9 HB2 ALA 9 -8.157 10.697 4.548 85 HB3 ALA 9 HB3 ALA 9 -7.408 11.863 3.455 86 H GLY 10 H GLY 10 -5.594 10.999 1.508 87 HA2 GLY 10 HA2 GLY 10 -2.774 10.665 1.803 88 HA3 GLY 10 HA3 GLY 10 -3.611 11.311 0.407 89 H LYS 11 H LYS 11 -2.426 12.101 3.593 90 HA LYS 11 HA LYS 11 -1.401 14.615 2.619 91 HB2 LYS 11 HB2 LYS 11 -3.568 15.266 3.511 92 HB3 LYS 11 HB3 LYS 11 -3.242 14.435 5.021 93 HG2 LYS 11 HG2 LYS 11 -1.428 16.023 5.481 94 HG3 LYS 11 HG3 LYS 11 -1.817 16.875 3.986 95 HD2 LYS 11 HD2 LYS 11 -4.015 17.410 4.805 96 HD3 LYS 11 HD3 LYS 11 -3.754 16.441 6.256 97 HE2 LYS 11 HE2 LYS 11 -3.483 18.797 6.759 98 HE3 LYS 11 HE3 LYS 11 -1.942 17.961 6.924 99 HZ1 LYS 11 HZ1 LYS 11 -1.679 20.073 5.794 100 HZ2 LYS 11 HZ2 LYS 11 -2.774 19.605 4.588 101 HZ3 LYS 11 HZ3 LYS 11 -1.293 18.795 4.752 102 HA PRO 12 HA PRO 12 1.298 12.792 6.117 103 HB2 PRO 12 HB2 PRO 12 -0.117 10.789 7.663 104 HB3 PRO 12 HB3 PRO 12 0.645 12.281 8.221 105 HG2 PRO 12 HG2 PRO 12 -2.034 11.902 8.252 106 HG3 PRO 12 HG3 PRO 12 -1.289 13.495 8.027 107 HD2 PRO 12 HD2 PRO 12 -2.368 11.606 5.958 108 HD3 PRO 12 HD3 PRO 12 -2.646 13.354 6.131 109 H GLY 13 H GLY 13 -0.911 9.964 5.920 110 HA2 GLY 13 HA2 GLY 13 -0.394 8.753 3.661 111 HA3 GLY 13 HA3 GLY 13 1.147 8.502 4.465 112 H LEU 14 H LEU 14 1.130 7.294 6.521 113 HA LEU 14 HA LEU 14 -1.120 5.404 6.643 114 HB2 LEU 14 HB2 LEU 14 1.816 4.693 6.645 115 HB3 LEU 14 HB3 LEU 14 0.509 3.565 6.943 116 HG LEU 14 HG LEU 14 0.767 5.082 4.352 117 HD11 LEU 14 HD11 LEU 14 1.825 2.345 5.025 118 HD12 LEU 14 HD12 LEU 14 2.789 3.782 4.680 119 HD13 LEU 14 HD13 LEU 14 1.782 3.072 3.418 120 HD21 LEU 14 HD21 LEU 14 -0.710 2.565 5.111 121 HD22 LEU 14 HD22 LEU 14 -0.654 3.285 3.502 122 HD23 LEU 14 HD23 LEU 14 -1.434 4.148 4.828 123 H TYR 15 H TYR 15 -1.739 4.819 8.612 124 HA TYR 15 HA TYR 15 0.038 5.286 10.905 125 HB2 TYR 15 HB2 TYR 15 -2.870 6.071 10.689 126 HB3 TYR 15 HB3 TYR 15 -2.068 5.853 12.236 127 HD1 TYR 15 HD1 TYR 15 0.243 7.245 12.391 128 HD2 TYR 15 HD2 TYR 15 -3.060 8.220 9.914 129 HE1 TYR 15 HE1 TYR 15 0.963 9.587 12.366 130 HE2 TYR 15 HE2 TYR 15 -2.344 10.570 9.874 131 HH TYR 15 HH TYR 15 0.722 11.574 10.933 132 H LYS 16 H LYS 16 -0.577 3.932 12.784 133 HA LYS 16 HA LYS 16 -1.775 1.400 11.891 134 HB2 LYS 16 HB2 LYS 16 0.001 2.055 14.237 135 HB3 LYS 16 HB3 LYS 16 -0.748 0.487 13.994 136 HG2 LYS 16 HG2 LYS 16 0.563 0.029 12.108 137 HG3 LYS 16 HG3 LYS 16 1.047 1.719 11.935 138 HD2 LYS 16 HD2 LYS 16 2.859 0.349 12.856 139 HD3 LYS 16 HD3 LYS 16 2.333 1.582 14.001 140 HE2 LYS 16 HE2 LYS 16 0.862 -0.227 15.027 141 HE3 LYS 16 HE3 LYS 16 1.775 -1.373 14.046 142 HZ1 LYS 16 HZ1 LYS 16 2.665 -1.155 16.291 143 HZ2 LYS 16 HZ2 LYS 16 2.951 0.497 16.029 144 HZ3 LYS 16 HZ3 LYS 16 3.793 -0.665 15.124 145 H LEU 17 H LEU 17 -3.881 1.356 12.282 146 HA LEU 17 HA LEU 17 -5.187 2.797 14.365 147 HB2 LEU 17 HB2 LEU 17 -6.281 2.338 12.277 148 HB3 LEU 17 HB3 LEU 17 -6.063 0.625 12.469 149 HG LEU 17 HG LEU 17 -8.402 1.687 12.727 150 HD11 LEU 17 HD11 LEU 17 -7.904 -0.645 13.059 151 HD12 LEU 17 HD12 LEU 17 -9.061 -0.075 14.263 152 HD13 LEU 17 HD13 LEU 17 -7.371 -0.321 14.709 153 HD21 LEU 17 HD21 LEU 17 -7.855 3.395 14.351 154 HD22 LEU 17 HD22 LEU 17 -7.319 2.164 15.497 155 HD23 LEU 17 HD23 LEU 17 -9.018 2.249 15.024 156 H ILE 18 H ILE 18 -5.304 2.331 16.396 157 HA ILE 18 HA ILE 18 -4.505 -0.291 17.405 158 HB ILE 18 HB ILE 18 -5.152 2.130 19.091 159 HG12 ILE 18 HG12 ILE 18 -2.370 1.461 18.114 160 HG13 ILE 18 HG13 ILE 18 -3.394 2.634 17.295 161 HG21 ILE 18 HG21 ILE 18 -4.967 0.006 20.253 162 HG22 ILE 18 HG22 ILE 18 -3.605 1.043 20.678 163 HG23 ILE 18 HG23 ILE 18 -3.383 -0.279 19.530 164 HD11 ILE 18 HD11 ILE 18 -2.477 2.807 20.158 165 HD12 ILE 18 HD12 ILE 18 -3.482 3.987 19.316 166 HD13 ILE 18 HD13 ILE 18 -1.817 3.716 18.798 167 H SER 19 H SER 19 -7.107 2.117 17.909 168 HA SER 19 HA SER 19 -8.909 -0.051 18.712 169 HB2 SER 19 HB2 SER 19 -8.465 2.504 20.280 170 HB3 SER 19 HB3 SER 19 -9.714 1.308 20.624 171 HG SER 19 HG SER 19 -8.116 -0.191 21.108 172 H GLN 20 H GLN 20 -10.855 0.103 17.791 173 HA GLN 20 HA GLN 20 -11.565 2.595 16.424 174 HB2 GLN 20 HB2 GLN 20 -12.584 -0.232 16.167 175 HB3 GLN 20 HB3 GLN 20 -13.409 1.130 15.425 176 HG2 GLN 20 HG2 GLN 20 -11.451 1.629 14.095 177 HG3 GLN 20 HG3 GLN 20 -10.560 0.326 14.878 178 HE21 GLN 20 HE21 GLN 20 -11.206 0.769 12.063 179 HE22 GLN 20 HE22 GLN 20 -12.061 -0.639 11.542 180 H GLY 21 H GLY 21 -13.063 3.906 17.194 181 HA2 GLY 21 HA2 GLY 21 -14.914 2.868 19.253 182 HA3 GLY 21 HA3 GLY 21 -14.280 4.506 19.249 183 H LYS 22 H LYS 22 -16.952 4.226 19.413 184 HA LYS 22 HA LYS 22 -18.135 4.326 16.758 185 HB2 LYS 22 HB2 LYS 22 -20.285 4.567 18.050 186 HB3 LYS 22 HB3 LYS 22 -19.385 3.093 18.370 187 HG2 LYS 22 HG2 LYS 22 -18.550 4.047 20.462 188 HG3 LYS 22 HG3 LYS 22 -19.426 5.544 20.137 189 HD2 LYS 22 HD2 LYS 22 -21.538 4.289 20.176 190 HD3 LYS 22 HD3 LYS 22 -20.643 2.814 20.538 191 HE2 LYS 22 HE2 LYS 22 -20.582 5.278 22.270 192 HE3 LYS 22 HE3 LYS 22 -21.696 3.938 22.521 193 HZ1 LYS 22 HZ1 LYS 22 -18.731 3.731 22.568 194 HZ2 LYS 22 HZ2 LYS 22 -19.823 2.471 22.868 195 HZ3 LYS 22 HZ3 LYS 22 -19.733 3.787 23.933 196 H ASN 23 H ASN 23 -16.513 6.297 16.680 197 HA ASN 23 HA ASN 23 -17.893 8.745 16.440 198 HB2 ASN 23 HB2 ASN 23 -17.680 8.593 18.985 199 HB3 ASN 23 HB3 ASN 23 -15.947 8.657 18.764 200 HD21 ASN 23 HD21 ASN 23 -15.716 10.531 19.898 201 HD22 ASN 23 HD22 ASN 23 -16.246 12.068 19.301 202 H MET 24 H MET 24 -14.830 7.222 17.259 203 HA MET 24 HA MET 24 -13.394 8.578 15.151 204 HB2 MET 24 HB2 MET 24 -11.743 9.542 16.760 205 HB3 MET 24 HB3 MET 24 -13.329 10.295 16.831 206 HG2 MET 24 HG2 MET 24 -13.865 9.076 18.833 207 HG3 MET 24 HG3 MET 24 -12.353 8.184 18.741 208 HE1 MET 24 HE1 MET 24 -10.327 10.344 17.846 209 HE2 MET 24 HE2 MET 24 -10.023 9.194 19.148 210 HE3 MET 24 HE3 MET 24 -9.708 10.914 19.396 211 H LEU 25 H LEU 25 -11.218 7.826 14.950 212 HA LEU 25 HA LEU 25 -10.812 5.171 16.136 213 HB2 LEU 25 HB2 LEU 25 -10.270 6.353 13.489 214 HB3 LEU 25 HB3 LEU 25 -9.006 5.319 14.112 215 HG LEU 25 HG LEU 25 -10.425 3.407 14.102 216 HD11 LEU 25 HD11 LEU 25 -12.484 4.424 14.951 217 HD12 LEU 25 HD12 LEU 25 -12.776 3.447 13.512 218 HD13 LEU 25 HD13 LEU 25 -12.733 5.206 13.390 219 HD21 LEU 25 HD21 LEU 25 -9.519 4.022 11.951 220 HD22 LEU 25 HD22 LEU 25 -10.911 5.065 11.638 221 HD23 LEU 25 HD23 LEU 25 -11.123 3.314 11.754 222 H ILE 26 H ILE 26 -9.070 4.767 17.303 223 HA ILE 26 HA ILE 26 -7.160 6.930 17.810 224 HB ILE 26 HB ILE 26 -7.399 4.236 19.190 225 HG12 ILE 26 HG12 ILE 26 -9.380 5.674 19.592 226 HG13 ILE 26 HG13 ILE 26 -8.449 5.388 21.055 227 HG21 ILE 26 HG21 ILE 26 -5.945 5.202 20.914 228 HG22 ILE 26 HG22 ILE 26 -5.781 6.667 19.946 229 HG23 ILE 26 HG23 ILE 26 -5.151 5.135 19.340 230 HD11 ILE 26 HD11 ILE 26 -7.464 7.626 20.844 231 HD12 ILE 26 HD12 ILE 26 -9.224 7.680 20.952 232 HD13 ILE 26 HD13 ILE 26 -8.428 7.903 19.392 233 H VAL 27 H VAL 27 -5.590 6.976 16.285 234 HA VAL 27 HA VAL 27 -4.339 4.406 15.572 235 HB VAL 27 HB VAL 27 -3.457 5.458 13.531 236 HG11 VAL 27 HG11 VAL 27 -5.552 5.643 12.273 237 HG12 VAL 27 HG12 VAL 27 -6.446 5.715 13.792 238 HG13 VAL 27 HG13 VAL 27 -5.546 4.258 13.366 239 HG21 VAL 27 HG21 VAL 27 -5.099 7.870 14.301 240 HG22 VAL 27 HG22 VAL 27 -4.286 7.633 12.754 241 HG23 VAL 27 HG23 VAL 27 -3.340 7.780 14.235 242 H GLU 28 H GLU 28 -2.005 4.455 15.285 243 HA GLU 28 HA GLU 28 -0.700 6.583 16.849 244 HB2 GLU 28 HB2 GLU 28 1.085 4.971 17.399 245 HB3 GLU 28 HB3 GLU 28 -0.473 4.433 18.003 246 HG2 GLU 28 HG2 GLU 28 -0.658 2.768 16.358 247 HG3 GLU 28 HG3 GLU 28 0.628 3.474 15.386 248 H THR 29 H THR 29 1.318 7.315 16.085 249 HA THR 29 HA THR 29 1.662 7.105 13.224 250 HB THR 29 HB THR 29 3.607 8.448 15.085 251 HG1 THR 29 HG1 THR 29 0.950 9.081 14.648 252 HG21 THR 29 HG21 THR 29 3.854 9.980 13.181 253 HG22 THR 29 HG22 THR 29 2.620 9.078 12.298 254 HG23 THR 29 HG23 THR 29 4.156 8.310 12.696 255 H VAL 30 H VAL 30 2.692 5.492 12.364 256 HA VAL 30 HA VAL 30 3.869 3.366 13.533 257 HB VAL 30 HB VAL 30 4.845 4.407 10.870 258 HG11 VAL 30 HG11 VAL 30 4.977 2.020 10.315 259 HG12 VAL 30 HG12 VAL 30 4.435 1.617 11.946 260 HG13 VAL 30 HG13 VAL 30 5.981 2.430 11.705 261 HG21 VAL 30 HG21 VAL 30 2.926 3.269 9.834 262 HG22 VAL 30 HG22 VAL 30 2.419 4.592 10.885 263 HG23 VAL 30 HG23 VAL 30 2.275 2.925 11.439 264 H ASP 31 H ASP 31 5.681 6.220 12.405 265 HA ASP 31 HA ASP 31 7.548 5.958 14.550 266 HB2 ASP 31 HB2 ASP 31 8.379 4.391 12.625 267 HB3 ASP 31 HB3 ASP 31 8.797 5.887 11.799 268 H ALA 32 H ALA 32 9.335 7.787 14.064 269 HA ALA 32 HA ALA 32 9.917 9.930 13.719 270 HB1 ALA 32 HB1 ALA 32 7.501 10.291 11.954 271 HB2 ALA 32 HB2 ALA 32 9.103 9.786 11.417 272 HB3 ALA 32 HB3 ALA 32 8.875 11.391 12.110 273 H ALA 33 H ALA 33 6.473 9.526 14.419 274 HA ALA 33 HA ALA 33 6.716 11.807 16.267 275 HB1 ALA 33 HB1 ALA 33 5.142 12.241 14.445 276 HB2 ALA 33 HB2 ALA 33 4.323 12.187 16.008 277 HB3 ALA 33 HB3 ALA 33 4.219 10.814 14.906 278 H LYS 34 H LYS 34 5.444 8.540 15.809 279 HA LYS 34 HA LYS 34 4.581 6.942 17.182 280 HB2 LYS 34 HB2 LYS 34 6.541 8.206 19.090 281 HB3 LYS 34 HB3 LYS 34 5.723 6.690 19.390 282 HG2 LYS 34 HG2 LYS 34 6.850 5.752 17.388 283 HG3 LYS 34 HG3 LYS 34 7.747 7.274 17.245 284 HD2 LYS 34 HD2 LYS 34 8.576 6.975 19.543 285 HD3 LYS 34 HD3 LYS 34 7.725 5.438 19.637 286 HE2 LYS 34 HE2 LYS 34 10.066 5.059 19.205 287 HE3 LYS 34 HE3 LYS 34 9.114 4.577 17.804 288 HZ1 LYS 34 HZ1 LYS 34 10.260 7.273 17.918 289 HZ2 LYS 34 HZ2 LYS 34 9.883 6.319 16.563 290 HZ3 LYS 34 HZ3 LYS 34 11.248 5.967 17.501 291 H LYS 35 H LYS 35 2.804 9.109 17.122 292 HA LYS 35 HA LYS 35 1.952 9.349 19.936 293 HB2 LYS 35 HB2 LYS 35 0.957 11.533 19.321 294 HB3 LYS 35 HB3 LYS 35 2.700 11.492 19.108 295 HG2 LYS 35 HG2 LYS 35 2.463 11.255 16.728 296 HG3 LYS 35 HG3 LYS 35 0.711 11.130 16.883 297 HD2 LYS 35 HD2 LYS 35 2.288 13.533 17.763 298 HD3 LYS 35 HD3 LYS 35 1.572 13.372 16.157 299 HE2 LYS 35 HE2 LYS 35 -0.640 13.118 17.176 300 HE3 LYS 35 HE3 LYS 35 0.079 13.282 18.778 301 HZ1 LYS 35 HZ1 LYS 35 0.135 15.358 16.654 302 HZ2 LYS 35 HZ2 LYS 35 0.779 15.511 18.215 303 HZ3 LYS 35 HZ3 LYS 35 -0.894 15.351 18.000 304 H ARG 36 H ARG 36 -0.358 9.501 20.346 305 HA ARG 36 HA ARG 36 -1.902 7.994 18.411 306 HB2 ARG 36 HB2 ARG 36 -3.723 8.026 20.112 307 HB3 ARG 36 HB3 ARG 36 -2.244 7.253 20.645 308 HG2 ARG 36 HG2 ARG 36 -1.673 9.292 21.917 309 HG3 ARG 36 HG3 ARG 36 -3.211 10.001 21.417 310 HD2 ARG 36 HD2 ARG 36 -3.394 9.055 23.649 311 HD3 ARG 36 HD3 ARG 36 -4.408 8.168 22.511 312 HE ARG 36 HE ARG 36 -1.819 6.986 22.810 313 HH11 ARG 36 HH11 ARG 36 -4.998 7.168 24.297 314 HH12 ARG 36 HH12 ARG 36 -4.843 5.626 25.084 315 HH21 ARG 36 HH21 ARG 36 -1.624 4.980 23.847 316 HH22 ARG 36 HH22 ARG 36 -2.932 4.384 24.821 317 H VAL 37 H VAL 37 -2.910 8.873 16.873 318 HA VAL 37 HA VAL 37 -3.681 11.708 17.021 319 HB VAL 37 HB VAL 37 -3.590 10.207 14.418 320 HG11 VAL 37 HG11 VAL 37 -4.423 12.489 14.446 321 HG12 VAL 37 HG12 VAL 37 -2.924 12.376 13.525 322 HG13 VAL 37 HG13 VAL 37 -2.907 13.044 15.158 323 HG21 VAL 37 HG21 VAL 37 -1.230 10.721 14.075 324 HG22 VAL 37 HG22 VAL 37 -1.448 9.620 15.436 325 HG23 VAL 37 HG23 VAL 37 -1.113 11.327 15.728 326 HA PRO 38 HA PRO 38 -7.981 10.257 16.709 327 HB2 PRO 38 HB2 PRO 38 -9.039 12.708 16.045 328 HB3 PRO 38 HB3 PRO 38 -8.753 12.161 17.695 329 HG2 PRO 38 HG2 PRO 38 -7.155 14.006 16.001 330 HG3 PRO 38 HG3 PRO 38 -7.444 14.045 17.749 331 HD2 PRO 38 HD2 PRO 38 -5.118 13.172 16.637 332 HD3 PRO 38 HD3 PRO 38 -5.740 12.585 18.191 333 H ALA 39 H ALA 39 -8.735 9.225 14.968 334 HA ALA 39 HA ALA 39 -8.231 10.400 12.313 335 HB1 ALA 39 HB1 ALA 39 -7.906 8.165 11.414 336 HB2 ALA 39 HB2 ALA 39 -8.199 7.463 13.005 337 HB3 ALA 39 HB3 ALA 39 -6.773 8.466 12.733 338 H TYR 40 H TYR 40 -10.178 11.273 11.915 339 HA TYR 40 HA TYR 40 -12.306 9.599 11.091 340 HB2 TYR 40 HB2 TYR 40 -14.047 10.320 12.652 341 HB3 TYR 40 HB3 TYR 40 -12.763 9.508 13.531 342 HD1 TYR 40 HD1 TYR 40 -10.965 11.133 14.607 343 HD2 TYR 40 HD2 TYR 40 -14.887 12.305 13.465 344 HE1 TYR 40 HE1 TYR 40 -10.851 13.005 16.187 345 HE2 TYR 40 HE2 TYR 40 -14.782 14.189 15.032 346 HH TYR 40 HH TYR 40 -11.892 15.204 16.502 347 H ALA 41 H ALA 41 -14.201 10.972 10.374 348 HA ALA 41 HA ALA 41 -15.175 12.640 9.236 349 HB1 ALA 41 HB1 ALA 41 -14.954 13.837 11.366 350 HB2 ALA 41 HB2 ALA 41 -14.903 14.917 9.973 351 HB3 ALA 41 HB3 ALA 41 -13.414 14.502 10.819 352 H HIS 42 H HIS 42 -14.698 12.324 7.181 353 HA HIS 42 HA HIS 42 -14.011 12.805 5.086 354 HB2 HIS 42 HB2 HIS 42 -13.952 15.165 5.674 355 HB3 HIS 42 HB3 HIS 42 -12.364 14.989 6.393 356 HD1 HIS 42 HD1 HIS 42 -14.059 15.058 2.998 357 HD2 HIS 42 HD2 HIS 42 -10.264 15.383 4.665 358 HE1 HIS 42 HE1 HIS 42 -12.546 15.748 1.109 359 HE2 HIS 42 HE2 HIS 42 -10.264 15.990 2.146 360 H ASP 43 H ASP 43 -12.036 11.554 7.448 361 HA ASP 43 HA ASP 43 -9.631 11.320 5.878 362 HB2 ASP 43 HB2 ASP 43 -9.789 11.479 8.455 363 HB3 ASP 43 HB3 ASP 43 -10.186 9.764 8.387 364 H LYS 44 H LYS 44 -8.969 9.628 4.734 365 HA LYS 44 HA LYS 44 -10.934 7.588 4.102 366 HB2 LYS 44 HB2 LYS 44 -9.763 8.887 2.309 367 HB3 LYS 44 HB3 LYS 44 -8.248 8.172 2.828 368 HG2 LYS 44 HG2 LYS 44 -8.833 6.917 0.972 369 HG3 LYS 44 HG3 LYS 44 -9.349 5.914 2.323 370 HD2 LYS 44 HD2 LYS 44 -11.270 7.790 0.993 371 HD3 LYS 44 HD3 LYS 44 -10.924 6.215 0.283 372 HE2 LYS 44 HE2 LYS 44 -11.627 5.144 2.394 373 HE3 LYS 44 HE3 LYS 44 -12.015 6.731 3.053 374 HZ1 LYS 44 HZ1 LYS 44 -13.978 5.618 2.200 375 HZ2 LYS 44 HZ2 LYS 44 -13.266 5.500 0.668 376 HZ3 LYS 44 HZ3 LYS 44 -13.648 7.023 1.306 377 H VAL 45 H VAL 45 -10.807 6.259 5.944 378 HA VAL 45 HA VAL 45 -8.211 5.006 6.452 379 HB VAL 45 HB VAL 45 -10.655 4.591 8.169 380 HG11 VAL 45 HG11 VAL 45 -8.980 4.076 9.889 381 HG12 VAL 45 HG12 VAL 45 -7.696 4.370 8.713 382 HG13 VAL 45 HG13 VAL 45 -8.821 3.032 8.476 383 HG21 VAL 45 HG21 VAL 45 -9.875 6.354 9.670 384 HG22 VAL 45 HG22 VAL 45 -10.280 7.008 8.082 385 HG23 VAL 45 HG23 VAL 45 -8.592 6.767 8.533 386 H ILE 46 H ILE 46 -7.936 3.407 5.119 387 HA ILE 46 HA ILE 46 -9.919 1.219 4.988 388 HB ILE 46 HB ILE 46 -8.052 2.146 2.758 389 HG12 ILE 46 HG12 ILE 46 -9.962 3.658 2.951 390 HG13 ILE 46 HG13 ILE 46 -10.068 2.717 1.471 391 HG21 ILE 46 HG21 ILE 46 -10.054 -0.104 2.710 392 HG22 ILE 46 HG22 ILE 46 -8.297 -0.258 2.684 393 HG23 ILE 46 HG23 ILE 46 -9.137 0.484 1.322 394 HD11 ILE 46 HD11 ILE 46 -11.742 1.267 2.521 395 HD12 ILE 46 HD12 ILE 46 -12.245 2.959 2.522 396 HD13 ILE 46 HD13 ILE 46 -11.629 2.220 4.002 397 H SER 47 H SER 47 -8.864 -0.930 5.135 398 HA SER 47 HA SER 47 -6.301 -0.903 6.410 399 HB2 SER 47 HB2 SER 47 -7.831 -3.255 5.273 400 HB3 SER 47 HB3 SER 47 -6.478 -3.343 6.405 401 HG SER 47 HG SER 47 -7.988 -1.834 7.684 402 H LEU 48 H LEU 48 -4.293 -1.181 5.556 403 HA LEU 48 HA LEU 48 -3.853 -0.897 2.757 404 HB2 LEU 48 HB2 LEU 48 -2.381 -0.151 4.725 405 HB3 LEU 48 HB3 LEU 48 -1.840 -1.804 4.822 406 HG LEU 48 HG LEU 48 -0.360 -0.040 3.649 407 HD11 LEU 48 HD11 LEU 48 -0.917 -2.668 2.299 408 HD12 LEU 48 HD12 LEU 48 0.188 -2.392 3.645 409 HD13 LEU 48 HD13 LEU 48 0.526 -1.679 2.067 410 HD21 LEU 48 HD21 LEU 48 -2.282 -0.659 1.426 411 HD22 LEU 48 HD22 LEU 48 -0.751 0.202 1.258 412 HD23 LEU 48 HD23 LEU 48 -2.058 0.901 2.215 413 H ALA 49 H ALA 49 -3.947 -3.618 4.946 414 HA ALA 49 HA ALA 49 -2.926 -5.604 3.213 415 HB1 ALA 49 HB1 ALA 49 -4.785 -5.872 5.546 416 HB2 ALA 49 HB2 ALA 49 -3.024 -5.874 5.610 417 HB3 ALA 49 HB3 ALA 49 -3.877 -7.179 4.785 418 H ASP 50 H ASP 50 -5.942 -3.962 3.380 419 HA ASP 50 HA ASP 50 -7.632 -6.095 2.471 420 HB2 ASP 50 HB2 ASP 50 -8.430 -4.349 4.032 421 HB3 ASP 50 HB3 ASP 50 -8.223 -3.145 2.772 422 H ILE 51 H ILE 51 -6.146 -3.198 1.018 423 HA ILE 51 HA ILE 51 -7.452 -3.212 -1.458 424 HB ILE 51 HB ILE 51 -4.578 -2.368 -0.907 425 HG12 ILE 51 HG12 ILE 51 -5.953 -0.092 -1.525 426 HG13 ILE 51 HG13 ILE 51 -7.175 -1.006 -0.641 427 HG21 ILE 51 HG21 ILE 51 -6.252 -1.843 -3.365 428 HG22 ILE 51 HG22 ILE 51 -4.807 -2.851 -3.271 429 HG23 ILE 51 HG23 ILE 51 -4.683 -1.111 -3.016 430 HD11 ILE 51 HD11 ILE 51 -4.433 -0.275 0.355 431 HD12 ILE 51 HD12 ILE 51 -5.645 -1.196 1.248 432 HD13 ILE 51 HD13 ILE 51 -5.956 0.486 0.818 433 H ALA 52 H ALA 52 -7.364 -4.452 -3.187 434 HA ALA 52 HA ALA 52 -5.347 -6.582 -3.282 435 HB1 ALA 52 HB1 ALA 52 -7.442 -7.516 -2.427 436 HB2 ALA 52 HB2 ALA 52 -7.036 -8.179 -4.009 437 HB3 ALA 52 HB3 ALA 52 -8.286 -6.943 -3.867 438 H MET 53 H MET 53 -5.099 -7.542 -5.413 439 HA MET 53 HA MET 53 -5.681 -5.701 -7.614 440 HB2 MET 53 HB2 MET 53 -3.452 -5.170 -6.558 441 HB3 MET 53 HB3 MET 53 -2.923 -6.789 -6.986 442 HG2 MET 53 HG2 MET 53 -3.155 -6.293 -9.322 443 HG3 MET 53 HG3 MET 53 -3.826 -4.708 -8.954 444 HE1 MET 53 HE1 MET 53 -0.782 -2.795 -7.509 445 HE2 MET 53 HE2 MET 53 -2.068 -3.625 -6.632 446 HE3 MET 53 HE3 MET 53 -2.450 -2.676 -8.068 447 H TYR 54 H TYR 54 -5.388 -6.721 -9.722 448 HA TYR 54 HA TYR 54 -5.785 -9.622 -9.580 449 HB2 TYR 54 HB2 TYR 54 -6.505 -7.747 -11.845 450 HB3 TYR 54 HB3 TYR 54 -6.955 -9.442 -11.697 451 HD1 TYR 54 HD2 TYR 54 -8.226 -9.961 -9.367 452 HD2 TYR 54 HD1 TYR 54 -8.136 -6.204 -11.357 453 HE1 TYR 54 HE2 TYR 54 -10.274 -9.304 -8.185 454 HE2 TYR 54 HE1 TYR 54 -10.187 -5.524 -10.179 455 HH TYR 54 HH TYR 54 -11.367 -7.124 -7.485 456 H THR 55 H THR 55 -4.609 -10.982 -10.794 457 HA THR 55 HA THR 55 -2.809 -9.957 -12.837 458 HB THR 55 HB THR 55 -1.411 -10.043 -10.817 459 HG1 THR 55 HG1 THR 55 0.236 -10.988 -11.797 460 HG21 THR 55 HG21 THR 55 -2.645 -11.679 -9.511 461 HG22 THR 55 HG22 THR 55 -0.944 -12.131 -9.631 462 HG23 THR 55 HG23 THR 55 -2.149 -12.958 -10.619 463 H ASP 56 H ASP 56 -1.811 -12.168 -13.953 464 HA ASP 56 HA ASP 56 -3.896 -13.772 -14.914 465 HB2 ASP 56 HB2 ASP 56 -1.671 -13.450 -16.002 466 HB3 ASP 56 HB3 ASP 56 -0.964 -14.508 -14.789 467 H ALA 57 H ALA 57 -1.875 -14.168 -12.124 468 HA ALA 57 HA ALA 57 -2.877 -16.805 -11.431 469 HB1 ALA 57 HB1 ALA 57 -1.512 -16.541 -9.406 470 HB2 ALA 57 HB2 ALA 57 -1.176 -14.866 -9.850 471 HB3 ALA 57 HB3 ALA 57 -0.579 -16.183 -10.859 472 H GLU 58 H GLU 58 -3.411 -16.642 -8.760 473 HA GLU 58 HA GLU 58 -6.033 -15.741 -8.553 474 HB2 GLU 58 HB2 GLU 58 -4.011 -16.449 -6.433 475 HB3 GLU 58 HB3 GLU 58 -5.660 -16.006 -6.037 476 HG2 GLU 58 HG2 GLU 58 -5.525 -18.372 -6.009 477 HG3 GLU 58 HG3 GLU 58 -6.438 -17.921 -7.444 478 H GLU 59 H GLU 59 -6.855 -14.276 -6.764 479 HA GLU 59 HA GLU 59 -6.013 -11.616 -7.279 480 HB2 GLU 59 HB2 GLU 59 -7.703 -11.088 -5.408 481 HB3 GLU 59 HB3 GLU 59 -8.298 -11.806 -6.894 482 HG2 GLU 59 HG2 GLU 59 -8.371 -13.999 -5.802 483 HG3 GLU 59 HG3 GLU 59 -7.783 -13.272 -4.307 484 H VAL 60 H VAL 60 -4.477 -10.529 -6.426 485 HA VAL 60 HA VAL 60 -3.030 -11.702 -4.160 486 HB VAL 60 HB VAL 60 -1.867 -11.730 -6.308 487 HG11 VAL 60 HG11 VAL 60 -1.088 -9.711 -7.422 488 HG12 VAL 60 HG12 VAL 60 -2.026 -8.729 -6.295 489 HG13 VAL 60 HG13 VAL 60 -2.849 -9.814 -7.416 490 HG21 VAL 60 HG21 VAL 60 0.214 -10.649 -5.661 491 HG22 VAL 60 HG22 VAL 60 -0.516 -11.575 -4.348 492 HG23 VAL 60 HG23 VAL 60 -0.643 -9.814 -4.365 493 HA PRO 61 HA PRO 61 -3.940 -8.015 -1.683 494 HB2 PRO 61 HB2 PRO 61 -1.802 -8.502 0.046 495 HB3 PRO 61 HB3 PRO 61 -3.466 -9.022 0.275 496 HG2 PRO 61 HG2 PRO 61 -1.120 -10.547 -0.691 497 HG3 PRO 61 HG3 PRO 61 -2.535 -11.107 0.216 498 HD2 PRO 61 HD2 PRO 61 -2.180 -11.602 -2.423 499 HD3 PRO 61 HD3 PRO 61 -3.782 -11.421 -1.683 500 H LEU 62 H LEU 62 -3.038 -6.013 -1.425 501 HA LEU 62 HA LEU 62 -1.184 -5.146 -3.352 502 HB2 LEU 62 HB2 LEU 62 -2.995 -3.767 -2.263 503 HB3 LEU 62 HB3 LEU 62 -1.962 -3.645 -0.851 504 HG LEU 62 HG LEU 62 -0.218 -2.557 -2.336 505 HD11 LEU 62 HD11 LEU 62 -2.537 -2.425 -4.257 506 HD12 LEU 62 HD12 LEU 62 -1.073 -3.384 -4.470 507 HD13 LEU 62 HD13 LEU 62 -0.979 -1.623 -4.452 508 HD21 LEU 62 HD21 LEU 62 -1.337 -0.387 -2.386 509 HD22 LEU 62 HD22 LEU 62 -1.586 -1.232 -0.856 510 HD23 LEU 62 HD23 LEU 62 -2.878 -1.181 -2.058 511 H SER 63 H SER 63 -0.819 -5.855 0.077 512 HA SER 63 HA SER 63 1.626 -4.720 0.615 513 HB2 SER 63 HB2 SER 63 0.574 -7.303 1.761 514 HB3 SER 63 HB3 SER 63 1.721 -6.197 2.517 515 HG SER 63 HG SER 63 -0.125 -5.545 3.389 516 H GLU 64 H GLU 64 1.061 -8.036 -0.689 517 HA GLU 64 HA GLU 64 3.861 -8.630 -0.494 518 HB2 GLU 64 HB2 GLU 64 3.370 -10.795 -1.470 519 HB3 GLU 64 HB3 GLU 64 2.279 -10.431 -0.150 520 HG2 GLU 64 HG2 GLU 64 0.471 -10.088 -1.616 521 HG3 GLU 64 HG3 GLU 64 1.536 -10.053 -3.025 522 H VAL 65 H VAL 65 1.774 -7.517 -3.141 523 HA VAL 65 HA VAL 65 3.903 -7.932 -5.064 524 HB VAL 65 HB VAL 65 2.446 -6.485 -6.604 525 HG11 VAL 65 HG11 VAL 65 1.463 -9.137 -5.580 526 HG12 VAL 65 HG12 VAL 65 2.702 -8.878 -6.808 527 HG13 VAL 65 HG13 VAL 65 1.033 -8.407 -7.128 528 HG21 VAL 65 HG21 VAL 65 0.989 -5.474 -4.930 529 HG22 VAL 65 HG22 VAL 65 0.406 -7.069 -4.453 530 HG23 VAL 65 HG23 VAL 65 0.055 -6.447 -6.066 531 H LEU 66 H LEU 66 2.783 -5.285 -3.113 532 HA LEU 66 HA LEU 66 4.388 -3.231 -4.255 533 HB2 LEU 66 HB2 LEU 66 2.850 -2.206 -3.001 534 HB3 LEU 66 HB3 LEU 66 2.560 -3.635 -2.046 535 HG LEU 66 HG LEU 66 4.815 -2.795 -0.867 536 HD11 LEU 66 HD11 LEU 66 5.058 -0.856 -2.316 537 HD12 LEU 66 HD12 LEU 66 4.730 -0.365 -0.653 538 HD13 LEU 66 HD13 LEU 66 3.446 -0.305 -1.860 539 HD21 LEU 66 HD21 LEU 66 2.663 -3.305 0.187 540 HD22 LEU 66 HD22 LEU 66 2.042 -1.738 -0.336 541 HD23 LEU 66 HD23 LEU 66 3.365 -1.818 0.828 542 H GLU 67 H GLU 67 4.916 -5.732 -1.861 543 HA GLU 67 HA GLU 67 7.466 -4.872 -0.960 544 HB2 GLU 67 HB2 GLU 67 5.780 -6.801 -0.152 545 HB3 GLU 67 HB3 GLU 67 6.862 -7.780 -1.128 546 HG2 GLU 67 HG2 GLU 67 7.702 -6.004 1.135 547 HG3 GLU 67 HG3 GLU 67 7.433 -7.738 1.262 548 H ALA 68 H ALA 68 6.405 -7.147 -3.491 549 HA ALA 68 HA ALA 68 8.908 -8.222 -4.091 550 HB1 ALA 68 HB1 ALA 68 7.870 -9.134 -6.068 551 HB2 ALA 68 HB2 ALA 68 6.528 -7.998 -5.910 552 HB3 ALA 68 HB3 ALA 68 6.776 -9.245 -4.687 553 H VAL 69 H VAL 69 7.310 -5.403 -5.541 554 HA VAL 69 HA VAL 69 9.339 -5.078 -7.558 555 HB VAL 69 HB VAL 69 8.231 -2.835 -7.980 556 HG11 VAL 69 HG11 VAL 69 7.712 -4.819 -9.286 557 HG12 VAL 69 HG12 VAL 69 6.267 -3.837 -9.036 558 HG13 VAL 69 HG13 VAL 69 6.511 -5.304 -8.088 559 HG21 VAL 69 HG21 VAL 69 6.227 -3.900 -5.985 560 HG22 VAL 69 HG22 VAL 69 5.992 -2.504 -7.035 561 HG23 VAL 69 HG23 VAL 69 7.233 -2.463 -5.783 562 H LYS 70 H LYS 70 8.753 -3.738 -4.376 563 HA LYS 70 HA LYS 70 10.785 -1.733 -4.422 564 HB2 LYS 70 HB2 LYS 70 8.792 -1.849 -2.897 565 HB3 LYS 70 HB3 LYS 70 9.568 -3.189 -2.072 566 HG2 LYS 70 HG2 LYS 70 11.485 -1.205 -2.017 567 HG3 LYS 70 HG3 LYS 70 9.964 -0.339 -1.771 568 HD2 LYS 70 HD2 LYS 70 10.743 -0.985 0.383 569 HD3 LYS 70 HD3 LYS 70 9.397 -2.058 -0.017 570 HE2 LYS 70 HE2 LYS 70 11.080 -3.715 -0.835 571 HE3 LYS 70 HE3 LYS 70 12.340 -2.665 -0.192 572 HZ1 LYS 70 HZ1 LYS 70 11.270 -2.901 1.999 573 HZ2 LYS 70 HZ2 LYS 70 11.863 -4.356 1.372 574 HZ3 LYS 70 HZ3 LYS 70 10.206 -4.034 1.326 575 H LYS 71 H LYS 71 10.625 -5.097 -3.509 576 HA LYS 71 HA LYS 71 13.039 -5.554 -2.235 577 HB2 LYS 71 HB2 LYS 71 10.824 -6.979 -2.694 578 HB3 LYS 71 HB3 LYS 71 11.849 -7.695 -3.924 579 HG2 LYS 71 HG2 LYS 71 12.851 -7.492 -1.128 580 HG3 LYS 71 HG3 LYS 71 11.680 -8.741 -1.545 581 HD2 LYS 71 HD2 LYS 71 13.175 -9.586 -3.267 582 HD3 LYS 71 HD3 LYS 71 14.333 -8.304 -2.911 583 HE2 LYS 71 HE2 LYS 71 14.565 -9.185 -0.627 584 HE3 LYS 71 HE3 LYS 71 13.457 -10.494 -1.045 585 HZ1 LYS 71 HZ1 LYS 71 16.079 -9.961 -2.323 586 HZ2 LYS 71 HZ2 LYS 71 15.004 -11.196 -2.762 587 HZ3 LYS 71 HZ3 LYS 71 15.735 -11.212 -1.231 588 H LYS 72 H LYS 72 12.414 -5.185 -5.658 589 HA LYS 72 HA LYS 72 14.693 -6.243 -6.832 590 HB2 LYS 72 HB2 LYS 72 12.900 -5.199 -8.117 591 HB3 LYS 72 HB3 LYS 72 13.292 -3.630 -7.430 592 HG2 LYS 72 HG2 LYS 72 15.558 -3.857 -8.496 593 HG3 LYS 72 HG3 LYS 72 14.914 -5.255 -9.356 594 HD2 LYS 72 HD2 LYS 72 13.300 -3.924 -10.480 595 HD3 LYS 72 HD3 LYS 72 13.652 -2.526 -9.455 596 HE2 LYS 72 HE2 LYS 72 15.938 -2.466 -10.366 597 HE3 LYS 72 HE3 LYS 72 15.537 -3.816 -11.426 598 HZ1 LYS 72 HZ1 LYS 72 15.391 -1.680 -12.549 599 HZ2 LYS 72 HZ2 LYS 72 14.200 -1.169 -11.456 600 HZ3 LYS 72 HZ3 LYS 72 13.890 -2.465 -12.510 601 H GLU 73 H GLU 73 14.334 -3.244 -5.008 602 HA GLU 73 HA GLU 73 17.214 -2.696 -5.212 603 HB2 GLU 73 HB2 GLU 73 14.997 -0.932 -4.120 604 HB3 GLU 73 HB3 GLU 73 16.656 -0.446 -4.420 605 HG2 GLU 73 HG2 GLU 73 14.696 -1.303 -6.544 606 HG3 GLU 73 HG3 GLU 73 15.063 0.370 -6.122 607 H ASN 74 H ASN 74 16.059 -4.823 -3.597 608 HA ASN 74 HA ASN 74 16.185 -5.868 -1.629 609 HB2 ASN 74 HB2 ASN 74 18.141 -3.678 -0.945 610 HB3 ASN 74 HB3 ASN 74 17.759 -4.985 0.161 611 HD21 ASN 74 HD21 ASN 74 18.488 -7.041 -0.271 612 HD22 ASN 74 HD22 ASN 74 19.709 -7.362 -1.458 613 H GLY 75 H GLY 75 16.631 -3.028 0.325 614 HA2 GLY 75 HA2 GLY 75 13.735 -2.821 0.758 615 HA3 GLY 75 HA3 GLY 75 14.847 -2.956 2.111 616 H ALA 76 H ALA 76 15.254 -1.145 -0.875 617 HA ALA 76 HA ALA 76 15.833 1.255 0.685 618 HB1 ALA 76 HB1 ALA 76 17.467 0.538 -0.991 619 HB2 ALA 76 HB2 ALA 76 16.794 2.119 -1.391 620 HB3 ALA 76 HB3 ALA 76 16.241 0.680 -2.251 621 H VAL 77 H VAL 77 15.096 3.357 -0.196 622 HA VAL 77 HA VAL 77 12.305 3.525 -0.601 623 HB VAL 77 HB VAL 77 14.461 5.626 -1.063 624 HG11 VAL 77 HG11 VAL 77 12.686 7.287 -0.872 625 HG12 VAL 77 HG12 VAL 77 11.488 5.997 -0.752 626 HG13 VAL 77 HG13 VAL 77 12.408 6.210 -2.242 627 HG21 VAL 77 HG21 VAL 77 13.817 6.500 1.125 628 HG22 VAL 77 HG22 VAL 77 14.391 4.837 1.247 629 HG23 VAL 77 HG23 VAL 77 12.663 5.180 1.318 630 H ALA 78 H ALA 78 11.149 3.468 -2.410 631 HA ALA 78 HA ALA 78 12.217 2.476 -4.807 632 HB1 ALA 78 HB1 ALA 78 9.532 3.745 -4.345 633 HB2 ALA 78 HB2 ALA 78 9.935 2.052 -4.056 634 HB3 ALA 78 HB3 ALA 78 9.979 2.702 -5.696 635 H SER 79 H SER 79 12.779 3.355 -6.668 636 HA SER 79 HA SER 79 13.294 6.223 -6.637 637 HB2 SER 79 HB2 SER 79 14.823 5.475 -8.617 638 HB3 SER 79 HB3 SER 79 15.286 5.069 -6.963 639 HG SER 79 HG SER 79 14.599 3.430 -9.041 640 H ILE 80 H ILE 80 10.680 5.653 -7.151 641 HA ILE 80 HA ILE 80 10.482 6.581 -9.926 642 HB ILE 80 HB ILE 80 9.403 4.437 -9.884 643 HG12 ILE 80 HG12 ILE 80 7.216 6.531 -9.718 644 HG13 ILE 80 HG13 ILE 80 8.249 6.284 -11.118 645 HG21 ILE 80 HG21 ILE 80 9.091 4.153 -7.501 646 HG22 ILE 80 HG22 ILE 80 7.574 3.855 -8.351 647 HG23 ILE 80 HG23 ILE 80 7.820 5.377 -7.493 648 HD11 ILE 80 HD11 ILE 80 6.094 5.258 -11.463 649 HD12 ILE 80 HD12 ILE 80 6.276 4.316 -9.983 650 HD13 ILE 80 HD13 ILE 80 7.340 4.012 -11.357 651 H ASN 81 H ASN 81 9.806 8.596 -10.116 652 HA ASN 81 HA ASN 81 8.285 9.800 -7.912 653 HB2 ASN 81 HB2 ASN 81 9.851 11.062 -10.170 654 HB3 ASN 81 HB3 ASN 81 8.789 11.979 -9.110 655 HD21 ASN 81 HD21 ASN 81 9.485 10.416 -6.746 656 HD22 ASN 81 HD22 ASN 81 11.073 10.925 -6.292 657 H TYR 82 H TYR 82 6.159 9.933 -8.186 658 HA TYR 82 HA TYR 82 5.036 8.809 -10.548 659 HB2 TYR 82 HB2 TYR 82 2.872 9.002 -9.398 660 HB3 TYR 82 HB3 TYR 82 4.096 8.260 -8.385 661 HD1 TYR 82 HD1 TYR 82 5.047 9.545 -6.464 662 HD2 TYR 82 HD2 TYR 82 1.782 11.031 -8.752 663 HE1 TYR 82 HE1 TYR 82 4.518 11.131 -4.668 664 HE2 TYR 82 HE2 TYR 82 1.250 12.627 -6.961 665 HH TYR 82 HH TYR 82 1.613 12.985 -4.634 666 H LYS 83 H LYS 83 5.490 12.092 -9.516 667 HA LYS 83 HA LYS 83 3.582 13.192 -11.385 668 HB2 LYS 83 HB2 LYS 83 5.774 14.509 -9.781 669 HB3 LYS 83 HB3 LYS 83 4.638 15.378 -10.802 670 HG2 LYS 83 HG2 LYS 83 2.792 14.445 -9.425 671 HG3 LYS 83 HG3 LYS 83 4.012 13.770 -8.343 672 HD2 LYS 83 HD2 LYS 83 4.883 16.016 -7.926 673 HD3 LYS 83 HD3 LYS 83 3.664 16.688 -9.013 674 HE2 LYS 83 HE2 LYS 83 1.908 15.740 -7.547 675 HE3 LYS 83 HE3 LYS 83 3.169 15.216 -6.431 676 HZ1 LYS 83 HZ1 LYS 83 2.466 18.001 -7.174 677 HZ2 LYS 83 HZ2 LYS 83 3.852 17.591 -6.293 678 HZ3 LYS 83 HZ3 LYS 83 2.319 17.269 -5.651 679 H LYS 84 H LYS 84 6.991 12.432 -11.398 680 HA LYS 84 HA LYS 84 7.541 13.854 -13.853 681 HB2 LYS 84 HB2 LYS 84 9.171 11.857 -12.273 682 HB3 LYS 84 HB3 LYS 84 9.746 12.669 -13.721 683 HG2 LYS 84 HG2 LYS 84 9.592 14.814 -12.622 684 HG3 LYS 84 HG3 LYS 84 8.907 14.050 -11.184 685 HD2 LYS 84 HD2 LYS 84 10.979 12.750 -10.912 686 HD3 LYS 84 HD3 LYS 84 11.660 13.566 -12.322 687 HE2 LYS 84 HE2 LYS 84 11.555 15.693 -11.197 688 HE3 LYS 84 HE3 LYS 84 10.721 14.967 -9.824 689 HZ1 LYS 84 HZ1 LYS 84 13.477 14.285 -10.693 690 HZ2 LYS 84 HZ2 LYS 84 12.673 13.674 -9.333 691 HZ3 LYS 84 HZ3 LYS 84 13.088 15.314 -9.403 692 H ALA 85 H ALA 85 6.553 10.696 -12.873 693 HA ALA 85 HA ALA 85 7.191 9.451 -15.409 694 HB1 ALA 85 HB1 ALA 85 5.824 8.339 -12.957 695 HB2 ALA 85 HB2 ALA 85 7.547 8.219 -13.319 696 HB3 ALA 85 HB3 ALA 85 6.368 7.409 -14.352 697 H SER 86 H SER 86 5.727 8.718 -16.870 698 HA SER 86 HA SER 86 3.080 9.865 -16.879 699 HB2 SER 86 HB2 SER 86 4.562 9.660 -18.919 700 HB3 SER 86 HB3 SER 86 4.346 7.914 -18.832 701 HG SER 86 HG SER 86 2.633 8.248 -19.983 702 H ALA 87 H ALA 87 1.214 8.313 -17.456 703 HA ALA 87 HA ALA 87 0.783 6.350 -15.489 704 HB1 ALA 87 HB1 ALA 87 -1.015 7.480 -16.715 705 HB2 ALA 87 HB2 ALA 87 -1.195 5.727 -16.747 706 HB3 ALA 87 HB3 ALA 87 -0.578 6.577 -18.165 707 H ASP 88 H ASP 88 2.158 6.109 -18.689 708 HA ASP 88 HA ASP 88 2.347 3.361 -19.124 709 HB2 ASP 88 HB2 ASP 88 4.441 5.454 -19.736 710 HB3 ASP 88 HB3 ASP 88 4.271 3.896 -20.532 711 H GLU 89 H GLU 89 4.540 5.538 -17.412 712 HA GLU 89 HA GLU 89 6.523 3.583 -16.826 713 HB2 GLU 89 HB2 GLU 89 6.098 6.294 -15.556 714 HB3 GLU 89 HB3 GLU 89 7.570 5.337 -15.495 715 HG2 GLU 89 HG2 GLU 89 6.353 6.518 -17.976 716 HG3 GLU 89 HG3 GLU 89 7.716 7.190 -17.086 717 H LEU 90 H LEU 90 3.698 4.750 -15.166 718 HA LEU 90 HA LEU 90 4.259 3.884 -12.553 719 HB2 LEU 90 HB2 LEU 90 1.855 4.671 -14.063 720 HB3 LEU 90 HB3 LEU 90 1.562 3.624 -12.691 721 HG LEU 90 HG LEU 90 1.286 5.997 -12.113 722 HD11 LEU 90 HD11 LEU 90 2.670 6.019 -10.118 723 HD12 LEU 90 HD12 LEU 90 3.657 4.716 -10.780 724 HD13 LEU 90 HD13 LEU 90 1.959 4.428 -10.391 725 HD21 LEU 90 HD21 LEU 90 4.230 6.259 -12.713 726 HD22 LEU 90 HD22 LEU 90 3.206 7.489 -11.972 727 HD23 LEU 90 HD23 LEU 90 2.917 6.986 -13.639 728 H HIS 91 H HIS 91 2.492 2.184 -15.194 729 HA HIS 91 HA HIS 91 2.387 -0.208 -13.601 730 HB2 HIS 91 HB2 HIS 91 1.308 -1.278 -15.544 731 HB3 HIS 91 HB3 HIS 91 0.508 0.199 -15.049 732 HD1 HIS 91 HD1 HIS 91 -0.081 1.737 -16.900 733 HD2 HIS 91 HD2 HIS 91 2.953 -0.879 -17.998 734 HE1 HIS 91 HE1 HIS 91 0.275 2.114 -19.357 735 HE2 HIS 91 HE2 HIS 91 1.965 0.375 -20.036 736 H ALA 92 H ALA 92 4.706 1.138 -15.709 737 HA ALA 92 HA ALA 92 5.936 -1.335 -16.508 738 HB1 ALA 92 HB1 ALA 92 6.150 0.681 -17.873 739 HB2 ALA 92 HB2 ALA 92 7.725 0.047 -17.395 740 HB3 ALA 92 HB3 ALA 92 7.058 1.462 -16.578 741 H TYR 93 H TYR 93 6.262 0.869 -13.809 742 HA TYR 93 HA TYR 93 8.700 -0.190 -12.772 743 HB2 TYR 93 HB2 TYR 93 7.602 2.046 -12.170 744 HB3 TYR 93 HB3 TYR 93 6.506 1.119 -11.154 745 HD1 TYR 93 HD2 TYR 93 9.982 2.198 -11.616 746 HD2 TYR 93 HD1 TYR 93 7.253 0.213 -9.024 747 HE1 TYR 93 HE2 TYR 93 11.639 2.290 -9.808 748 HE2 TYR 93 HE1 TYR 93 8.908 0.300 -7.209 749 HH TYR 93 HH TYR 93 11.369 0.472 -6.981 750 H PHE 94 H PHE 94 5.309 -1.004 -12.487 751 HA PHE 94 HA PHE 94 5.643 -2.942 -10.410 752 HB2 PHE 94 HB2 PHE 94 3.544 -1.612 -10.915 753 HB3 PHE 94 HB3 PHE 94 3.328 -2.655 -12.318 754 HD1 PHE 94 HD1 PHE 94 3.774 -2.776 -8.641 755 HD2 PHE 94 HD2 PHE 94 2.179 -4.648 -12.111 756 HE1 PHE 94 HE1 PHE 94 2.676 -4.455 -7.225 757 HE2 PHE 94 HE2 PHE 94 1.078 -6.327 -10.700 758 HZ PHE 94 HZ PHE 94 1.328 -6.229 -8.259 759 H ALA 95 H ALA 95 5.898 -2.922 -13.863 760 HA ALA 95 HA ALA 95 5.454 -5.732 -14.283 761 HB1 ALA 95 HB1 ALA 95 4.887 -4.058 -15.985 762 HB2 ALA 95 HB2 ALA 95 6.020 -5.263 -16.600 763 HB3 ALA 95 HB3 ALA 95 6.597 -3.659 -16.149 764 H GLU 96 H GLU 96 7.958 -4.228 -12.837 765 HA GLU 96 HA GLU 96 10.258 -5.247 -14.071 766 HB2 GLU 96 HB2 GLU 96 9.655 -4.320 -11.287 767 HB3 GLU 96 HB3 GLU 96 11.236 -4.977 -11.693 768 HG2 GLU 96 HG2 GLU 96 9.904 -2.574 -12.913 769 HG3 GLU 96 HG3 GLU 96 11.295 -2.577 -11.827 770 H VAL 97 H VAL 97 8.581 -6.506 -11.171 771 HA VAL 97 HA VAL 97 9.927 -9.065 -11.653 772 HB VAL 97 HB VAL 97 9.336 -9.685 -9.346 773 HG11 VAL 97 HG11 VAL 97 11.486 -8.663 -9.780 774 HG12 VAL 97 HG12 VAL 97 10.872 -8.162 -8.204 775 HG13 VAL 97 HG13 VAL 97 10.787 -7.056 -9.576 776 HG21 VAL 97 HG21 VAL 97 8.242 -6.881 -9.141 777 HG22 VAL 97 HG22 VAL 97 8.477 -7.992 -7.792 778 HG23 VAL 97 HG23 VAL 97 7.311 -8.379 -9.057 779 H LEU 98 H LEU 98 6.861 -7.555 -11.879 780 HA LEU 98 HA LEU 98 5.626 -10.195 -12.252 781 HB2 LEU 98 HB2 LEU 98 4.960 -8.861 -10.119 782 HB3 LEU 98 HB3 LEU 98 4.060 -7.845 -11.229 783 HG LEU 98 HG LEU 98 2.919 -9.998 -12.017 784 HD11 LEU 98 HD11 LEU 98 4.486 -11.574 -11.048 785 HD12 LEU 98 HD12 LEU 98 2.874 -11.816 -10.374 786 HD13 LEU 98 HD13 LEU 98 4.110 -10.984 -9.429 787 HD21 LEU 98 HD21 LEU 98 2.462 -9.012 -9.205 788 HD22 LEU 98 HD22 LEU 98 1.314 -9.943 -10.169 789 HD23 LEU 98 HD23 LEU 98 1.781 -8.320 -10.678 790 HA PRO 99 HA PRO 99 4.841 -7.781 -16.051 791 HB2 PRO 99 HB2 PRO 99 5.598 -9.628 -17.841 792 HB3 PRO 99 HB3 PRO 99 6.768 -8.642 -16.960 793 HG2 PRO 99 HG2 PRO 99 6.020 -11.489 -16.576 794 HG3 PRO 99 HG3 PRO 99 7.577 -10.689 -16.313 795 HD2 PRO 99 HD2 PRO 99 5.659 -11.347 -14.350 796 HD3 PRO 99 HD3 PRO 99 7.088 -10.320 -14.133 797 H ASN 100 H ASN 100 3.434 -10.587 -14.759 798 HA ASN 100 HA ASN 100 1.560 -10.938 -16.985 799 HB2 ASN 100 HB2 ASN 100 0.903 -13.043 -15.954 800 HB3 ASN 100 HB3 ASN 100 2.648 -12.980 -16.135 801 HD21 ASN 100 HD21 ASN 100 0.895 -14.554 -14.352 802 HD22 ASN 100 HD22 ASN 100 1.485 -14.258 -12.754 803 H TYR 101 H TYR 101 1.630 -8.851 -14.677 804 HA TYR 101 HA TYR 101 -0.720 -9.117 -13.159 805 HB2 TYR 101 HB2 TYR 101 -0.448 -6.778 -12.611 806 HB3 TYR 101 HB3 TYR 101 1.144 -7.521 -12.652 807 HD1 TYR 101 HD1 TYR 101 2.457 -7.246 -14.908 808 HD2 TYR 101 HD2 TYR 101 -0.800 -4.772 -13.754 809 HE1 TYR 101 HE1 TYR 101 3.223 -5.528 -16.470 810 HE2 TYR 101 HE2 TYR 101 -0.040 -3.041 -15.325 811 HH TYR 101 HH TYR 101 2.560 -3.658 -17.598 812 H ASP 102 H ASP 102 -2.748 -8.166 -13.403 813 HA ASP 102 HA ASP 102 -3.715 -7.992 -16.088 814 HB2 ASP 102 HB2 ASP 102 -5.158 -8.954 -14.424 815 HB3 ASP 102 HB3 ASP 102 -5.028 -7.531 -13.404 816 H ARG 103 H ARG 103 -4.151 -6.246 -17.254 817 HA ARG 103 HA ARG 103 -3.385 -3.637 -16.127 818 HB2 ARG 103 HB2 ARG 103 -2.596 -3.143 -18.525 819 HB3 ARG 103 HB3 ARG 103 -1.604 -4.226 -17.556 820 HG2 ARG 103 HG2 ARG 103 -2.237 -6.098 -18.759 821 HG3 ARG 103 HG3 ARG 103 -3.696 -5.331 -19.386 822 HD2 ARG 103 HD2 ARG 103 -0.883 -4.552 -20.133 823 HD3 ARG 103 HD3 ARG 103 -1.912 -5.627 -21.079 824 HE ARG 103 HE ARG 103 -2.499 -2.779 -20.560 825 HH11 ARG 103 HH11 ARG 103 -2.664 -5.612 -22.638 826 HH12 ARG 103 HH12 ARG 103 -3.530 -4.780 -23.898 827 HH21 ARG 103 HH21 ARG 103 -3.642 -1.706 -22.210 828 HH22 ARG 103 HH22 ARG 103 -4.084 -2.567 -23.651 829 H ASP 104 H ASP 104 -6.043 -4.969 -16.509 830 HA ASP 104 HA ASP 104 -7.249 -3.066 -18.409 831 HB2 ASP 104 HB2 ASP 104 -7.334 -5.428 -19.188 832 HB3 ASP 104 HB3 ASP 104 -8.227 -5.851 -17.728 833 H ARG 105 H ARG 105 -7.906 -5.005 -15.500 834 HA ARG 105 HA ARG 105 -9.957 -3.071 -14.689 835 HB2 ARG 105 HB2 ARG 105 -9.195 -5.706 -13.406 836 HB3 ARG 105 HB3 ARG 105 -10.521 -4.668 -12.912 837 HG2 ARG 105 HG2 ARG 105 -11.721 -6.094 -14.166 838 HG3 ARG 105 HG3 ARG 105 -11.190 -5.041 -15.480 839 HD2 ARG 105 HD2 ARG 105 -9.272 -6.552 -15.871 840 HD3 ARG 105 HD3 ARG 105 -9.890 -7.627 -14.618 841 HE ARG 105 HE ARG 105 -11.929 -7.248 -16.470 842 HH11 ARG 105 HH11 ARG 105 -8.719 -8.651 -16.399 843 HH12 ARG 105 HH12 ARG 105 -9.070 -9.834 -17.624 844 HH21 ARG 105 HH21 ARG 105 -12.369 -8.764 -18.117 845 HH22 ARG 105 HH22 ARG 105 -11.132 -9.873 -18.621 846 H VAL 106 H VAL 106 -6.730 -4.094 -13.989 847 HA VAL 106 HA VAL 106 -6.573 -2.529 -11.558 848 HB VAL 106 HB VAL 106 -4.302 -3.767 -13.141 849 HG11 VAL 106 HG11 VAL 106 -3.532 -1.973 -11.680 850 HG12 VAL 106 HG12 VAL 106 -2.995 -3.543 -11.076 851 HG13 VAL 106 HG13 VAL 106 -4.356 -2.720 -10.310 852 HG21 VAL 106 HG21 VAL 106 -4.334 -5.559 -11.486 853 HG22 VAL 106 HG22 VAL 106 -5.866 -5.461 -12.357 854 HG23 VAL 106 HG23 VAL 106 -5.742 -4.824 -10.716 855 H HIS 107 H HIS 107 -7.295 -0.572 -12.313 856 HA HIS 107 HA HIS 107 -5.099 1.070 -13.333 857 HB2 HIS 107 HB2 HIS 107 -7.998 1.244 -14.204 858 HB3 HIS 107 HB3 HIS 107 -6.901 2.607 -14.350 859 HD1 HIS 107 HD1 HIS 107 -8.299 0.184 -16.395 860 HD2 HIS 107 HD2 HIS 107 -4.402 1.515 -15.860 861 HE1 HIS 107 HE1 HIS 107 -7.086 -0.432 -18.509 862 HE2 HIS 107 HE2 HIS 107 -4.694 0.230 -18.083 863 H ASN 108 H ASN 108 -7.902 2.861 -12.780 864 HA ASN 108 HA ASN 108 -8.997 3.868 -11.107 865 HB2 ASN 108 HB2 ASN 108 -9.110 1.623 -10.118 866 HB3 ASN 108 HB3 ASN 108 -7.602 1.925 -9.271 867 HD21 ASN 108 HD21 ASN 108 -8.501 1.602 -7.284 868 HD22 ASN 108 HD22 ASN 108 -9.621 2.716 -6.558 869 H GLY 109 H GLY 109 -5.797 3.194 -9.764 870 HA2 GLY 109 HA2 GLY 109 -4.435 5.454 -9.743 871 HA3 GLY 109 HA3 GLY 109 -5.679 5.867 -8.560 872 H ASP 110 H ASP 110 -4.844 2.556 -8.765 873 HA ASP 110 HA ASP 110 -4.178 2.455 -6.021 874 HB2 ASP 110 HB2 ASP 110 -4.218 0.401 -8.206 875 HB3 ASP 110 HB3 ASP 110 -3.684 -0.003 -6.578 876 H ILE 111 H ILE 111 -2.226 2.317 -8.935 877 HA ILE 111 HA ILE 111 0.179 1.616 -7.545 878 HB ILE 111 HB ILE 111 0.144 2.954 -10.251 879 HG12 ILE 111 HG12 ILE 111 -1.515 1.099 -10.303 880 HG13 ILE 111 HG13 ILE 111 -0.133 0.808 -11.348 881 HG21 ILE 111 HG21 ILE 111 2.322 2.609 -9.219 882 HG22 ILE 111 HG22 ILE 111 2.137 1.573 -10.635 883 HG23 ILE 111 HG23 ILE 111 1.970 0.892 -9.017 884 HD11 ILE 111 HD11 ILE 111 0.792 -0.733 -9.682 885 HD12 ILE 111 HD12 ILE 111 -0.821 -1.220 -10.202 886 HD13 ILE 111 HD13 ILE 111 -0.600 -0.435 -8.639 887 H LYS 112 H LYS 112 -1.381 4.608 -8.541 888 HA LYS 112 HA LYS 112 0.823 6.354 -8.220 889 HB2 LYS 112 HB2 LYS 112 -2.128 6.707 -8.457 890 HB3 LYS 112 HB3 LYS 112 -1.148 8.070 -7.940 891 HG2 LYS 112 HG2 LYS 112 -0.610 6.520 -10.456 892 HG3 LYS 112 HG3 LYS 112 -1.637 7.960 -10.392 893 HD2 LYS 112 HD2 LYS 112 0.351 9.119 -9.301 894 HD3 LYS 112 HD3 LYS 112 1.304 7.725 -9.812 895 HE2 LYS 112 HE2 LYS 112 1.594 9.308 -11.520 896 HE3 LYS 112 HE3 LYS 112 0.402 8.172 -12.149 897 HZ1 LYS 112 HZ1 LYS 112 -1.336 9.767 -11.387 898 HZ2 LYS 112 HZ2 LYS 112 -0.346 10.343 -12.637 899 HZ3 LYS 112 HZ3 LYS 112 -0.097 10.877 -11.049 900 H LYS 113 H LYS 113 -1.795 5.462 -5.988 901 HA LYS 113 HA LYS 113 -0.922 7.220 -3.897 902 HB2 LYS 113 HB2 LYS 113 -2.585 6.055 -2.514 903 HB3 LYS 113 HB3 LYS 113 -3.261 6.518 -4.067 904 HG2 LYS 113 HG2 LYS 113 -2.791 4.153 -4.833 905 HG3 LYS 113 HG3 LYS 113 -2.437 3.777 -3.148 906 HD2 LYS 113 HD2 LYS 113 -4.718 4.569 -2.550 907 HD3 LYS 113 HD3 LYS 113 -5.051 4.780 -4.272 908 HE2 LYS 113 HE2 LYS 113 -4.512 2.378 -4.607 909 HE3 LYS 113 HE3 LYS 113 -4.355 2.211 -2.860 910 HZ1 LYS 113 HZ1 LYS 113 -6.644 2.761 -2.589 911 HZ2 LYS 113 HZ2 LYS 113 -6.533 1.525 -3.744 912 HZ3 LYS 113 HZ3 LYS 113 -6.815 3.121 -4.237 913 H LEU 114 H LEU 114 -0.089 4.070 -4.937 914 HA LEU 114 HA LEU 114 1.070 3.145 -2.495 915 HB2 LEU 114 HB2 LEU 114 0.201 1.425 -3.725 916 HB3 LEU 114 HB3 LEU 114 0.629 2.156 -5.253 917 HG LEU 114 HG LEU 114 2.822 0.985 -3.592 918 HD11 LEU 114 HD11 LEU 114 0.892 -0.573 -5.306 919 HD12 LEU 114 HD12 LEU 114 1.068 -0.707 -3.557 920 HD13 LEU 114 HD13 LEU 114 2.390 -1.198 -4.616 921 HD21 LEU 114 HD21 LEU 114 2.231 1.173 -6.545 922 HD22 LEU 114 HD22 LEU 114 3.658 0.411 -5.840 923 HD23 LEU 114 HD23 LEU 114 3.394 2.144 -5.634 924 H ILE 115 H ILE 115 2.170 5.077 -5.169 925 HA ILE 115 HA ILE 115 4.977 4.689 -4.852 926 HB ILE 115 HB ILE 115 3.672 7.270 -5.756 927 HG12 ILE 115 HG12 ILE 115 2.771 5.461 -7.119 928 HG13 ILE 115 HG13 ILE 115 3.876 6.448 -8.068 929 HG21 ILE 115 HG21 ILE 115 6.049 7.470 -5.296 930 HG22 ILE 115 HG22 ILE 115 5.749 7.597 -7.030 931 HG23 ILE 115 HG23 ILE 115 6.389 6.100 -6.352 932 HD11 ILE 115 HD11 ILE 115 5.605 4.736 -7.814 933 HD12 ILE 115 HD12 ILE 115 4.145 4.088 -8.564 934 HD13 ILE 115 HD13 ILE 115 4.489 3.751 -6.866 935 H SER 116 H SER 116 2.633 6.871 -3.408 936 HA SER 116 HA SER 116 4.438 8.303 -1.760 937 HB2 SER 116 HB2 SER 116 2.171 9.123 -2.334 938 HB3 SER 116 HB3 SER 116 1.475 7.820 -1.374 939 HG SER 116 HG SER 116 2.987 8.851 0.327 940 H TRP 117 H TRP 117 2.576 5.324 -1.352 941 HA TRP 117 HA TRP 117 3.089 5.074 1.437 942 HB2 TRP 117 HB2 TRP 117 2.077 3.059 -0.567 943 HB3 TRP 117 HB3 TRP 117 2.240 2.736 1.159 944 HD1 TRP 117 HD1 TRP 117 1.123 5.829 1.859 945 HE1 TRP 117 HE1 TRP 117 -1.429 6.133 1.849 946 HE3 TRP 117 HE3 TRP 117 -0.169 1.756 -0.978 947 HZ2 TRP 117 HZ2 TRP 117 -3.686 4.824 0.792 948 HZ3 TRP 117 HZ3 TRP 117 -2.551 1.370 -1.432 949 HH2 TRP 117 HH2 TRP 117 -4.269 2.869 -0.568 950 H TYR 118 H TYR 118 4.763 3.926 -1.452 951 HA TYR 118 HA TYR 118 6.578 2.070 -0.535 952 HB2 TYR 118 HB2 TYR 118 6.935 4.383 -2.402 953 HB3 TYR 118 HB3 TYR 118 8.305 3.385 -1.973 954 HD1 TYR 118 HD1 TYR 118 7.153 0.651 -2.133 955 HD2 TYR 118 HD2 TYR 118 6.570 4.072 -4.584 956 HE1 TYR 118 HE1 TYR 118 6.727 -0.807 -4.071 957 HE2 TYR 118 HE2 TYR 118 6.123 2.636 -6.506 958 HH TYR 118 HH TYR 118 5.529 -0.652 -6.255 959 H ASN 119 H ASN 119 6.849 5.567 -0.389 960 HA ASN 119 HA ASN 119 9.402 5.708 0.806 961 HB2 ASN 119 HB2 ASN 119 7.165 7.675 0.466 962 HB3 ASN 119 HB3 ASN 119 8.580 8.102 1.412 963 HD21 ASN 119 HD21 ASN 119 8.769 6.026 -1.429 964 HD22 ASN 119 HD22 ASN 119 9.602 7.168 -2.421 965 H ILE 120 H ILE 120 6.164 5.822 2.215 966 HA ILE 120 HA ILE 120 6.902 6.454 4.876 967 HB ILE 120 HB ILE 120 4.454 4.936 3.934 968 HG12 ILE 120 HG12 ILE 120 4.642 7.909 4.388 969 HG13 ILE 120 HG13 ILE 120 4.984 7.191 2.819 970 HG21 ILE 120 HG21 ILE 120 3.376 5.835 5.939 971 HG22 ILE 120 HG22 ILE 120 4.883 6.626 6.406 972 HG23 ILE 120 HG23 ILE 120 4.787 4.864 6.367 973 HD11 ILE 120 HD11 ILE 120 2.394 6.967 4.325 974 HD12 ILE 120 HD12 ILE 120 2.738 6.278 2.737 975 HD13 ILE 120 HD13 ILE 120 2.712 8.029 2.953 976 H LEU 121 H LEU 121 6.241 3.359 3.270 977 HA LEU 121 HA LEU 121 6.448 1.709 5.546 978 HB2 LEU 121 HB2 LEU 121 6.748 1.110 2.611 979 HB3 LEU 121 HB3 LEU 121 6.672 -0.121 3.857 980 HG LEU 121 HG LEU 121 4.451 1.876 3.470 981 HD11 LEU 121 HD11 LEU 121 4.802 0.712 1.359 982 HD12 LEU 121 HD12 LEU 121 3.301 0.208 2.137 983 HD13 LEU 121 HD13 LEU 121 4.719 -0.837 2.200 984 HD21 LEU 121 HD21 LEU 121 3.117 0.173 4.581 985 HD22 LEU 121 HD22 LEU 121 4.490 0.642 5.585 986 HD23 LEU 121 HD23 LEU 121 4.527 -0.879 4.692 987 H VAL 122 H VAL 122 8.820 2.520 3.042 988 HA VAL 122 HA VAL 122 10.937 0.977 4.104 989 HB VAL 122 HB VAL 122 11.087 3.409 2.317 990 HG11 VAL 122 HG11 VAL 122 13.317 2.595 1.700 991 HG12 VAL 122 HG12 VAL 122 13.188 1.326 2.919 992 HG13 VAL 122 HG13 VAL 122 13.231 3.020 3.411 993 HG21 VAL 122 HG21 VAL 122 9.824 1.566 1.350 994 HG22 VAL 122 HG22 VAL 122 11.161 0.464 1.683 995 HG23 VAL 122 HG23 VAL 122 11.368 1.774 0.520 996 H ASN 123 H ASN 123 10.083 4.399 4.576 997 HA ASN 123 HA ASN 123 12.417 5.131 5.990 998 HB2 ASN 123 HB2 ASN 123 9.712 6.372 5.701 999 HB3 ASN 123 HB3 ASN 123 10.856 7.027 6.864 1000 HD21 ASN 123 HD21 ASN 123 9.809 8.355 4.589 1001 HD22 ASN 123 HD22 ASN 123 11.124 8.711 3.531 1002 H ASN 124 H ASN 124 9.258 4.008 7.141 1003 HA ASN 124 HA ASN 124 10.015 4.501 9.898 1004 HB2 ASN 124 HB2 ASN 124 7.508 3.241 8.767 1005 HB3 ASN 124 HB3 ASN 124 7.767 3.633 10.458 1006 HD21 ASN 124 HD21 ASN 124 9.149 6.189 9.706 1007 HD22 ASN 124 HD22 ASN 124 7.863 7.254 9.255 1008 H GLY 125 H GLY 125 10.762 2.091 7.787 1009 HA2 GLY 125 HA2 GLY 125 11.680 0.001 8.040 1010 HA3 GLY 125 HA3 GLY 125 11.789 0.351 9.759 1011 H ILE 126 H ILE 126 9.010 0.019 7.597 1012 HA ILE 126 HA ILE 126 7.572 -1.366 9.672 1013 HB ILE 126 HB ILE 126 6.651 -0.700 6.870 1014 HG12 ILE 126 HG12 ILE 126 6.341 0.887 9.439 1015 HG13 ILE 126 HG13 ILE 126 7.416 1.313 8.115 1016 HG21 ILE 126 HG21 ILE 126 4.407 -0.893 7.840 1017 HG22 ILE 126 HG22 ILE 126 5.120 -1.337 9.391 1018 HG23 ILE 126 HG23 ILE 126 5.311 -2.401 7.997 1019 HD11 ILE 126 HD11 ILE 126 4.406 1.241 8.013 1020 HD12 ILE 126 HD12 ILE 126 5.472 1.644 6.666 1021 HD13 ILE 126 HD13 ILE 126 5.425 2.680 8.093 1022 H THR 127 H THR 127 7.646 -3.468 9.943 1023 HA THR 127 HA THR 127 8.612 -5.198 7.793 1024 HB THR 127 HB THR 127 8.834 -6.870 9.675 1025 HG1 THR 127 HG1 THR 127 8.888 -5.453 11.781 1026 HG21 THR 127 HG21 THR 127 10.800 -5.765 10.674 1027 HG22 THR 127 HG22 THR 127 10.280 -4.233 9.970 1028 HG23 THR 127 HG23 THR 127 10.754 -5.571 8.923 1029 H GLU 128 H GLU 128 5.742 -4.183 8.091 1030 HA GLU 128 HA GLU 128 4.251 -6.580 8.787 1031 HB2 GLU 128 HB2 GLU 128 3.474 -3.750 8.174 1032 HB3 GLU 128 HB3 GLU 128 2.266 -5.024 8.223 1033 HG2 GLU 128 HG2 GLU 128 4.072 -4.131 10.457 1034 HG3 GLU 128 HG3 GLU 128 2.324 -3.923 10.349 1035 H PHE 129 H PHE 129 5.848 -6.006 6.173 1036 HA PHE 129 HA PHE 129 4.108 -7.583 4.515 1037 HB2 PHE 129 HB2 PHE 129 4.052 -6.111 2.593 1038 HB3 PHE 129 HB3 PHE 129 3.411 -5.228 3.969 1039 HD1 PHE 129 HD1 PHE 129 5.270 -3.776 5.253 1040 HD2 PHE 129 HD2 PHE 129 5.496 -5.036 1.199 1041 HE1 PHE 129 HE1 PHE 129 6.872 -1.990 4.794 1042 HE2 PHE 129 HE2 PHE 129 7.111 -3.248 0.729 1043 HZ PHE 129 HZ PHE 129 7.805 -1.723 2.528 1044 H VAL 130 H VAL 130 7.168 -6.047 5.181 1045 HA VAL 130 HA VAL 130 8.510 -7.678 3.168 1046 HB VAL 130 HB VAL 130 9.003 -5.302 3.011 1047 HG11 VAL 130 HG11 VAL 130 10.228 -4.076 4.702 1048 HG12 VAL 130 HG12 VAL 130 10.110 -5.451 5.800 1049 HG13 VAL 130 HG13 VAL 130 8.651 -4.597 5.295 1050 HG21 VAL 130 HG21 VAL 130 10.783 -6.809 2.377 1051 HG22 VAL 130 HG22 VAL 130 11.393 -6.815 4.034 1052 HG23 VAL 130 HG23 VAL 130 11.437 -5.331 3.081 1053 H GLU 131 H GLU 131 9.960 -9.190 3.644 1054 HA GLU 131 HA GLU 131 10.088 -10.183 6.359 1055 HB2 GLU 131 HB2 GLU 131 11.241 -11.237 3.775 1056 HB3 GLU 131 HB3 GLU 131 11.302 -12.079 5.318 1057 HG2 GLU 131 HG2 GLU 131 8.871 -12.183 5.369 1058 HG3 GLU 131 HG3 GLU 131 8.795 -11.308 3.839 1059 H ALA 132 H ALA 132 12.198 -8.692 3.995 1060 HA ALA 132 HA ALA 132 14.600 -8.910 5.528 1061 HB1 ALA 132 HB1 ALA 132 13.895 -7.038 3.266 1062 HB2 ALA 132 HB2 ALA 132 14.640 -8.627 3.095 1063 HB3 ALA 132 HB3 ALA 132 15.516 -7.326 3.902 1064 HA PRO 133 HA PRO 133 13.715 -5.565 8.377 1065 HB2 PRO 133 HB2 PRO 133 16.615 -5.417 8.818 1066 HB3 PRO 133 HB3 PRO 133 15.325 -5.825 9.952 1067 HG2 PRO 133 HG2 PRO 133 17.058 -7.668 9.047 1068 HG3 PRO 133 HG3 PRO 133 15.367 -8.056 9.410 1069 HD2 PRO 133 HD2 PRO 133 16.669 -7.570 6.757 1070 HD3 PRO 133 HD3 PRO 133 15.459 -8.790 7.214 1071 H ALA 134 H ALA 134 13.130 -3.762 7.280 1072 HA ALA 134 HA ALA 134 14.857 -2.275 5.562 1073 HB1 ALA 134 HB1 ALA 134 13.109 -0.563 5.593 1074 HB2 ALA 134 HB2 ALA 134 12.303 -1.399 6.921 1075 HB3 ALA 134 HB3 ALA 134 12.422 -2.168 5.336 1076 H LEU 135 H LEU 135 13.926 -2.039 8.945 1077 HA LEU 135 HA LEU 135 15.826 0.053 9.500 1078 HB2 LEU 135 HB2 LEU 135 15.191 -0.126 11.797 1079 HB3 LEU 135 HB3 LEU 135 13.728 -0.224 10.850 1080 HG LEU 135 HG LEU 135 15.082 -2.655 12.047 1081 HD11 LEU 135 HD11 LEU 135 13.394 -2.541 13.802 1082 HD12 LEU 135 HD12 LEU 135 12.812 -1.011 13.146 1083 HD13 LEU 135 HD13 LEU 135 14.439 -1.120 13.817 1084 HD21 LEU 135 HD21 LEU 135 13.533 -3.139 10.196 1085 HD22 LEU 135 HD22 LEU 135 12.263 -2.251 11.038 1086 HD23 LEU 135 HD23 LEU 135 12.918 -3.730 11.740 1087 H GLU 136 H GLU 136 17.894 -0.209 10.094 1088 HA GLU 136 HA GLU 136 19.201 -2.631 9.427 1089 HB2 GLU 136 HB2 GLU 136 20.268 -0.176 10.817 1090 HB3 GLU 136 HB3 GLU 136 21.262 -1.484 10.190 1091 HG2 GLU 136 HG2 GLU 136 20.493 -1.015 7.933 1092 HG3 GLU 136 HG3 GLU 136 19.443 0.262 8.544 1093 H HIS 137 H HIS 137 18.586 -1.068 12.553 1094 HA HIS 137 HA HIS 137 19.777 -3.190 14.072 1095 HB2 HIS 137 HB2 HIS 137 18.217 -0.740 14.767 1096 HB3 HIS 137 HB3 HIS 137 18.328 -2.025 15.960 1097 HD1 HIS 137 HD1 HIS 137 21.101 -2.847 16.110 1098 HD2 HIS 137 HD2 HIS 137 20.104 1.102 15.276 1099 HE1 HIS 137 HE1 HIS 137 23.111 -1.490 16.773 1100 HE2 HIS 137 HE2 HIS 137 22.409 0.902 16.446 1101 H HIS 138 H HIS 138 18.818 -5.042 13.338 1102 HA HIS 138 HA HIS 138 16.399 -5.676 14.800 1103 HB2 HIS 138 HB2 HIS 138 15.945 -5.065 12.257 1104 HB3 HIS 138 HB3 HIS 138 16.553 -6.694 11.981 1105 HD1 HIS 138 HD1 HIS 138 14.861 -8.523 12.155 1106 HD2 HIS 138 HD2 HIS 138 13.635 -5.044 14.075 1107 HE1 HIS 138 HE1 HIS 138 12.478 -8.934 12.841 1108 HE2 HIS 138 HE2 HIS 138 11.699 -6.744 13.809 1109 H HIS 139 H HIS 139 18.128 -6.533 16.045 1110 HA HIS 139 HA HIS 139 19.884 -8.550 14.985 1111 HB2 HIS 139 HB2 HIS 139 20.243 -6.791 16.896 1112 HB3 HIS 139 HB3 HIS 139 19.481 -8.003 17.913 1113 HD1 HIS 139 HD1 HIS 139 21.617 -8.384 19.281 1114 HD2 HIS 139 HD2 HIS 139 22.101 -9.105 15.217 1115 HE1 HIS 139 HE1 HIS 139 23.864 -9.488 19.055 1116 HE2 HIS 139 HE2 HIS 139 24.176 -9.833 16.578 1117 H HIS 140 H HIS 140 16.835 -8.463 16.636 1118 HA HIS 140 HA HIS 140 16.904 -11.270 17.338 1119 HB2 HIS 140 HB2 HIS 140 14.733 -9.188 17.616 1120 HB3 HIS 140 HB3 HIS 140 14.537 -10.871 18.087 1121 HD1 HIS 140 HD1 HIS 140 15.750 -7.654 19.311 1122 HD2 HIS 140 HD2 HIS 140 16.334 -11.660 20.238 1123 HE1 HIS 140 HE1 HIS 140 16.784 -7.664 21.602 1124 HE2 HIS 140 HE2 HIS 140 17.087 -10.105 22.166 1125 H HIS 141 H HIS 141 16.873 -12.561 15.675 1126 HA HIS 141 HA HIS 141 14.861 -12.143 13.571 1127 HB2 HIS 141 HB2 HIS 141 17.275 -12.222 12.882 1128 HB3 HIS 141 HB3 HIS 141 17.359 -13.863 13.502 1129 HD1 HIS 141 HD1 HIS 141 15.353 -11.939 10.902 1130 HD2 HIS 141 HD2 HIS 141 16.908 -15.723 11.600 1131 HE1 HIS 141 HE1 HIS 141 14.849 -13.261 8.826 1132 HE2 HIS 141 HE2 HIS 141 15.948 -15.505 9.207 1133 H HIS 142 H HIS 142 16.430 -14.647 15.536 1134 HA HIS 142 HA HIS 142 15.788 -16.619 16.415 1135 HB2 HIS 142 HB2 HIS 142 14.054 -15.144 17.488 1136 HB3 HIS 142 HB3 HIS 142 12.943 -15.594 16.205 1137 HD1 HIS 142 HD1 HIS 142 11.545 -17.634 16.615 1138 HD2 HIS 142 HD2 HIS 142 14.854 -17.453 19.133 1139 HE1 HIS 142 HE1 HIS 142 11.251 -19.520 18.255 1140 HE2 HIS 142 HE2 HIS 142 13.340 -19.495 19.653 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.682 -5.897 10.764 2 H2 MET 1 H2 MET 1 0.111 -5.273 10.651 3 H3 MET 1 H3 MET 1 1.355 -4.600 9.729 4 HA MET 1 HA MET 1 1.582 -6.565 8.434 5 HB2 MET 1 HB2 MET 1 -0.623 -7.648 10.202 6 HB3 MET 1 HB3 MET 1 0.009 -8.452 8.775 7 HG2 MET 1 HG2 MET 1 1.540 -7.833 11.287 8 HG3 MET 1 HG3 MET 1 0.897 -9.406 10.820 9 HE1 MET 1 HE1 MET 1 3.088 -10.268 7.671 10 HE2 MET 1 HE2 MET 1 1.517 -9.465 7.676 11 HE3 MET 1 HE3 MET 1 1.813 -10.832 8.753 12 H LEU 2 H LEU 2 -0.926 -7.700 7.513 13 HA LEU 2 HA LEU 2 -1.804 -5.370 6.048 14 HB2 LEU 2 HB2 LEU 2 -2.920 -6.973 4.526 15 HB3 LEU 2 HB3 LEU 2 -1.197 -7.205 4.668 16 HG LEU 2 HG LEU 2 -3.133 -8.956 6.192 17 HD11 LEU 2 HD11 LEU 2 -3.760 -9.028 3.836 18 HD12 LEU 2 HD12 LEU 2 -3.021 -10.544 4.351 19 HD13 LEU 2 HD13 LEU 2 -2.091 -9.388 3.398 20 HD21 LEU 2 HD21 LEU 2 -0.755 -9.075 6.828 21 HD22 LEU 2 HD22 LEU 2 -0.336 -9.453 5.158 22 HD23 LEU 2 HD23 LEU 2 -1.316 -10.580 6.097 23 H LYS 3 H LYS 3 -2.831 -4.516 7.936 24 HA LYS 3 HA LYS 3 -5.565 -4.280 7.732 25 HB2 LYS 3 HB2 LYS 3 -5.744 -6.566 8.711 26 HB3 LYS 3 HB3 LYS 3 -4.840 -6.019 10.115 27 HG2 LYS 3 HG2 LYS 3 -6.645 -4.413 10.616 28 HG3 LYS 3 HG3 LYS 3 -7.562 -5.048 9.250 29 HD2 LYS 3 HD2 LYS 3 -6.632 -6.703 11.595 30 HD3 LYS 3 HD3 LYS 3 -8.238 -5.985 11.459 31 HE2 LYS 3 HE2 LYS 3 -8.673 -7.265 9.453 32 HE3 LYS 3 HE3 LYS 3 -7.043 -7.936 9.496 33 HZ1 LYS 3 HZ1 LYS 3 -9.119 -8.342 11.580 34 HZ2 LYS 3 HZ2 LYS 3 -7.564 -9.014 11.573 35 HZ3 LYS 3 HZ3 LYS 3 -8.686 -9.469 10.391 36 H THR 4 H THR 4 -2.909 -4.450 10.012 37 HA THR 4 HA THR 4 -3.871 -2.332 11.684 38 HB THR 4 HB THR 4 -1.324 -2.507 12.464 39 HG1 THR 4 HG1 THR 4 -1.470 -5.168 12.004 40 HG21 THR 4 HG21 THR 4 -2.052 -4.242 14.052 41 HG22 THR 4 HG22 THR 4 -3.492 -4.512 13.073 42 HG23 THR 4 HG23 THR 4 -3.250 -2.955 13.861 43 H ILE 5 H ILE 5 -1.641 -2.536 8.987 44 HA ILE 5 HA ILE 5 -0.870 0.215 9.304 45 HB ILE 5 HB ILE 5 -0.372 -1.821 7.152 46 HG12 ILE 5 HG12 ILE 5 0.974 -2.111 9.130 47 HG13 ILE 5 HG13 ILE 5 1.991 -1.525 7.821 48 HG21 ILE 5 HG21 ILE 5 1.110 -0.191 6.032 49 HG22 ILE 5 HG22 ILE 5 0.450 1.071 7.074 50 HG23 ILE 5 HG23 ILE 5 -0.604 0.218 5.938 51 HD11 ILE 5 HD11 ILE 5 1.889 0.738 8.782 52 HD12 ILE 5 HD12 ILE 5 2.579 -0.444 9.899 53 HD13 ILE 5 HD13 ILE 5 0.916 0.104 10.114 54 H LEU 6 H LEU 6 -2.085 1.835 8.780 55 HA LEU 6 HA LEU 6 -4.349 1.433 6.966 56 HB2 LEU 6 HB2 LEU 6 -3.891 3.147 9.344 57 HB3 LEU 6 HB3 LEU 6 -4.866 3.829 8.059 58 HG LEU 6 HG LEU 6 -6.343 1.802 8.217 59 HD11 LEU 6 HD11 LEU 6 -4.775 1.331 10.741 60 HD12 LEU 6 HD12 LEU 6 -4.777 0.301 9.308 61 HD13 LEU 6 HD13 LEU 6 -6.249 0.491 10.261 62 HD21 LEU 6 HD21 LEU 6 -6.978 3.924 9.193 63 HD22 LEU 6 HD22 LEU 6 -6.071 3.541 10.658 64 HD23 LEU 6 HD23 LEU 6 -7.491 2.590 10.226 65 H SER 7 H SER 7 -4.561 2.529 5.201 66 HA SER 7 HA SER 7 -2.279 4.076 4.271 67 HB2 SER 7 HB2 SER 7 -4.564 2.679 2.877 68 HB3 SER 7 HB3 SER 7 -3.311 3.599 2.038 69 HG SER 7 HG SER 7 -1.774 2.174 2.963 70 H ILE 8 H ILE 8 -2.450 6.215 4.321 71 HA ILE 8 HA ILE 8 -5.158 7.363 4.354 72 HB ILE 8 HB ILE 8 -2.644 8.652 5.443 73 HG12 ILE 8 HG12 ILE 8 -3.146 6.651 6.760 74 HG13 ILE 8 HG13 ILE 8 -3.474 8.101 7.694 75 HG21 ILE 8 HG21 ILE 8 -4.185 10.191 6.567 76 HG22 ILE 8 HG22 ILE 8 -5.559 9.368 5.832 77 HG23 ILE 8 HG23 ILE 8 -4.407 10.238 4.817 78 HD11 ILE 8 HD11 ILE 8 -5.530 6.348 6.358 79 HD12 ILE 8 HD12 ILE 8 -5.875 7.808 7.287 80 HD13 ILE 8 HD13 ILE 8 -5.164 6.402 8.082 81 H ALA 9 H ALA 9 -5.751 8.462 2.660 82 HA ALA 9 HA ALA 9 -3.733 9.268 0.681 83 HB1 ALA 9 HB1 ALA 9 -5.448 7.708 -0.090 84 HB2 ALA 9 HB2 ALA 9 -5.575 9.254 -0.929 85 HB3 ALA 9 HB3 ALA 9 -6.705 8.859 0.366 86 H GLY 10 H GLY 10 -4.326 10.823 3.080 87 HA2 GLY 10 HA2 GLY 10 -5.474 13.257 1.866 88 HA3 GLY 10 HA3 GLY 10 -5.515 12.898 3.589 89 H LYS 11 H LYS 11 -4.297 14.367 4.554 90 HA LYS 11 HA LYS 11 -1.818 15.258 3.366 91 HB2 LYS 11 HB2 LYS 11 -3.427 16.804 4.546 92 HB3 LYS 11 HB3 LYS 11 -2.926 16.067 6.059 93 HG2 LYS 11 HG2 LYS 11 -0.718 16.878 5.831 94 HG3 LYS 11 HG3 LYS 11 -0.999 17.358 4.158 95 HD2 LYS 11 HD2 LYS 11 -2.668 19.009 4.962 96 HD3 LYS 11 HD3 LYS 11 -2.240 18.580 6.622 97 HE2 LYS 11 HE2 LYS 11 0.048 19.298 6.242 98 HE3 LYS 11 HE3 LYS 11 -0.319 19.644 4.553 99 HZ1 LYS 11 HZ1 LYS 11 -0.325 21.657 5.879 100 HZ2 LYS 11 HZ2 LYS 11 -1.512 21.014 6.901 101 HZ3 LYS 11 HZ3 LYS 11 -1.881 21.340 5.280 102 HA PRO 12 HA PRO 12 0.141 12.696 6.954 103 HB2 PRO 12 HB2 PRO 12 -1.379 10.816 8.206 104 HB3 PRO 12 HB3 PRO 12 -1.119 12.444 8.839 105 HG2 PRO 12 HG2 PRO 12 -3.461 11.333 7.364 106 HG3 PRO 12 HG3 PRO 12 -3.424 12.448 8.741 107 HD2 PRO 12 HD2 PRO 12 -3.835 13.246 6.179 108 HD3 PRO 12 HD3 PRO 12 -3.079 14.270 7.413 109 H GLY 13 H GLY 13 -0.235 9.765 7.335 110 HA2 GLY 13 HA2 GLY 13 0.180 9.053 4.520 111 HA3 GLY 13 HA3 GLY 13 1.549 8.937 5.605 112 H LEU 14 H LEU 14 1.364 7.408 7.418 113 HA LEU 14 HA LEU 14 -0.554 5.252 6.915 114 HB2 LEU 14 HB2 LEU 14 2.435 4.921 7.175 115 HB3 LEU 14 HB3 LEU 14 1.301 3.594 7.318 116 HG LEU 14 HG LEU 14 1.417 5.283 4.828 117 HD11 LEU 14 HD11 LEU 14 2.880 3.595 3.866 118 HD12 LEU 14 HD12 LEU 14 2.991 2.799 5.437 119 HD13 LEU 14 HD13 LEU 14 3.647 4.422 5.221 120 HD21 LEU 14 HD21 LEU 14 0.508 2.460 5.330 121 HD22 LEU 14 HD22 LEU 14 0.468 3.309 3.784 122 HD23 LEU 14 HD23 LEU 14 -0.545 3.859 5.119 123 H TYR 15 H TYR 15 -1.243 4.164 8.679 124 HA TYR 15 HA TYR 15 -0.223 5.032 11.289 125 HB2 TYR 15 HB2 TYR 15 -3.052 5.113 10.288 126 HB3 TYR 15 HB3 TYR 15 -2.715 4.960 12.008 127 HD1 TYR 15 HD1 TYR 15 -1.270 6.751 13.098 128 HD2 TYR 15 HD2 TYR 15 -3.009 7.227 9.254 129 HE1 TYR 15 HE1 TYR 15 -0.995 9.181 13.285 130 HE2 TYR 15 HE2 TYR 15 -2.736 9.662 9.427 131 HH TYR 15 HH TYR 15 -0.829 11.128 11.839 132 H LYS 16 H LYS 16 -1.001 3.678 13.090 133 HA LYS 16 HA LYS 16 -1.325 0.846 12.326 134 HB2 LYS 16 HB2 LYS 16 0.182 2.196 14.537 135 HB3 LYS 16 HB3 LYS 16 -0.339 0.527 14.707 136 HG2 LYS 16 HG2 LYS 16 0.996 -0.180 12.902 137 HG3 LYS 16 HG3 LYS 16 1.316 1.479 12.385 138 HD2 LYS 16 HD2 LYS 16 2.593 1.893 14.387 139 HD3 LYS 16 HD3 LYS 16 2.160 0.310 15.034 140 HE2 LYS 16 HE2 LYS 16 3.763 0.781 12.524 141 HE3 LYS 16 HE3 LYS 16 4.443 0.372 14.101 142 HZ1 LYS 16 HZ1 LYS 16 2.519 -1.326 12.609 143 HZ2 LYS 16 HZ2 LYS 16 3.314 -1.730 14.048 144 HZ3 LYS 16 HZ3 LYS 16 4.193 -1.549 12.610 145 H LEU 17 H LEU 17 -3.295 0.058 12.775 146 HA LEU 17 HA LEU 17 -5.139 1.498 14.428 147 HB2 LEU 17 HB2 LEU 17 -5.343 -0.391 12.384 148 HB3 LEU 17 HB3 LEU 17 -6.020 -1.173 13.800 149 HG LEU 17 HG LEU 17 -6.904 1.505 12.710 150 HD11 LEU 17 HD11 LEU 17 -8.160 -1.222 12.514 151 HD12 LEU 17 HD12 LEU 17 -7.528 -0.237 11.191 152 HD13 LEU 17 HD13 LEU 17 -8.957 0.290 12.081 153 HD21 LEU 17 HD21 LEU 17 -7.223 1.325 15.127 154 HD22 LEU 17 HD22 LEU 17 -8.087 -0.197 14.904 155 HD23 LEU 17 HD23 LEU 17 -8.767 1.304 14.273 156 H ILE 18 H ILE 18 -5.076 1.477 16.494 157 HA ILE 18 HA ILE 18 -4.103 -0.776 18.037 158 HB ILE 18 HB ILE 18 -5.211 1.886 18.992 159 HG12 ILE 18 HG12 ILE 18 -2.305 1.092 18.708 160 HG13 ILE 18 HG13 ILE 18 -3.171 2.034 17.502 161 HG21 ILE 18 HG21 ILE 18 -4.020 1.376 21.088 162 HG22 ILE 18 HG22 ILE 18 -3.560 -0.196 20.436 163 HG23 ILE 18 HG23 ILE 18 -5.259 0.175 20.728 164 HD11 ILE 18 HD11 ILE 18 -2.666 2.849 20.355 165 HD12 ILE 18 HD12 ILE 18 -3.547 3.794 19.155 166 HD13 ILE 18 HD13 ILE 18 -1.829 3.460 18.927 167 H SER 19 H SER 19 -7.057 1.231 17.972 168 HA SER 19 HA SER 19 -8.724 -1.090 18.483 169 HB2 SER 19 HB2 SER 19 -8.658 1.286 20.368 170 HB3 SER 19 HB3 SER 19 -9.833 -0.026 20.432 171 HG SER 19 HG SER 19 -7.218 -0.866 20.434 172 H GLN 20 H GLN 20 -10.589 -0.883 17.333 173 HA GLN 20 HA GLN 20 -11.176 1.663 16.074 174 HB2 GLN 20 HB2 GLN 20 -12.633 -0.982 15.928 175 HB3 GLN 20 HB3 GLN 20 -13.077 0.454 15.017 176 HG2 GLN 20 HG2 GLN 20 -10.856 0.400 13.936 177 HG3 GLN 20 HG3 GLN 20 -10.521 -1.107 14.784 178 HE21 GLN 20 HE21 GLN 20 -10.660 -0.563 11.926 179 HE22 GLN 20 HE22 GLN 20 -11.860 -1.638 11.291 180 H GLY 21 H GLY 21 -12.980 2.931 16.434 181 HA2 GLY 21 HA2 GLY 21 -14.686 2.181 18.720 182 HA3 GLY 21 HA3 GLY 21 -13.974 3.785 18.608 183 H LYS 22 H LYS 22 -16.238 4.452 18.755 184 HA LYS 22 HA LYS 22 -17.709 4.211 16.240 185 HB2 LYS 22 HB2 LYS 22 -18.887 3.956 18.457 186 HB3 LYS 22 HB3 LYS 22 -18.530 5.645 18.781 187 HG2 LYS 22 HG2 LYS 22 -19.841 6.282 16.808 188 HG3 LYS 22 HG3 LYS 22 -20.221 4.582 16.533 189 HD2 LYS 22 HD2 LYS 22 -21.347 4.475 18.696 190 HD3 LYS 22 HD3 LYS 22 -20.936 6.166 18.997 191 HE2 LYS 22 HE2 LYS 22 -22.255 6.829 17.044 192 HE3 LYS 22 HE3 LYS 22 -22.669 5.141 16.748 193 HZ1 LYS 22 HZ1 LYS 22 -23.697 5.122 18.986 194 HZ2 LYS 22 HZ2 LYS 22 -24.461 6.154 17.886 195 HZ3 LYS 22 HZ3 LYS 22 -23.449 6.795 19.082 196 H ASN 23 H ASN 23 -17.703 5.745 14.766 197 HA ASN 23 HA ASN 23 -17.245 7.583 13.560 198 HB2 ASN 23 HB2 ASN 23 -18.339 8.862 15.451 199 HB3 ASN 23 HB3 ASN 23 -16.734 9.137 16.104 200 HD21 ASN 23 HD21 ASN 23 -15.362 10.607 15.105 201 HD22 ASN 23 HD22 ASN 23 -15.905 11.698 13.880 202 H MET 24 H MET 24 -14.999 7.905 16.314 203 HA MET 24 HA MET 24 -12.781 8.143 14.429 204 HB2 MET 24 HB2 MET 24 -11.488 8.607 16.630 205 HB3 MET 24 HB3 MET 24 -12.558 9.838 15.980 206 HG2 MET 24 HG2 MET 24 -13.768 9.868 17.824 207 HG3 MET 24 HG3 MET 24 -13.990 8.122 17.793 208 HE1 MET 24 HE1 MET 24 -11.629 6.560 18.477 209 HE2 MET 24 HE2 MET 24 -13.076 6.579 19.485 210 HE3 MET 24 HE3 MET 24 -11.485 6.730 20.229 211 H LEU 25 H LEU 25 -10.998 6.881 14.451 212 HA LEU 25 HA LEU 25 -11.080 4.375 15.988 213 HB2 LEU 25 HB2 LEU 25 -9.211 5.089 13.705 214 HB3 LEU 25 HB3 LEU 25 -9.327 3.542 14.497 215 HG LEU 25 HG LEU 25 -10.433 3.005 12.619 216 HD11 LEU 25 HD11 LEU 25 -12.687 4.408 14.007 217 HD12 LEU 25 HD12 LEU 25 -12.130 2.758 14.320 218 HD13 LEU 25 HD13 LEU 25 -12.838 3.169 12.756 219 HD21 LEU 25 HD21 LEU 25 -11.650 4.549 11.173 220 HD22 LEU 25 HD22 LEU 25 -9.997 5.075 11.484 221 HD23 LEU 25 HD23 LEU 25 -11.341 5.854 12.320 222 H ILE 26 H ILE 26 -9.139 3.765 17.113 223 HA ILE 26 HA ILE 26 -7.359 6.016 17.735 224 HB ILE 26 HB ILE 26 -7.745 3.380 19.190 225 HG12 ILE 26 HG12 ILE 26 -9.552 4.984 19.565 226 HG13 ILE 26 HG13 ILE 26 -8.593 4.781 21.026 227 HG21 ILE 26 HG21 ILE 26 -5.401 4.028 19.324 228 HG22 ILE 26 HG22 ILE 26 -6.193 4.223 20.888 229 HG23 ILE 26 HG23 ILE 26 -5.864 5.636 19.886 230 HD11 ILE 26 HD11 ILE 26 -9.207 7.112 20.672 231 HD12 ILE 26 HD12 ILE 26 -8.407 7.096 19.100 232 HD13 ILE 26 HD13 ILE 26 -7.458 6.904 20.575 233 H VAL 27 H VAL 27 -5.744 6.120 16.346 234 HA VAL 27 HA VAL 27 -4.332 3.637 15.650 235 HB VAL 27 HB VAL 27 -3.653 4.729 13.492 236 HG11 VAL 27 HG11 VAL 27 -5.767 4.309 12.334 237 HG12 VAL 27 HG12 VAL 27 -6.613 4.322 13.882 238 HG13 VAL 27 HG13 VAL 27 -5.423 3.066 13.538 239 HG21 VAL 27 HG21 VAL 27 -5.808 6.722 14.198 240 HG22 VAL 27 HG22 VAL 27 -4.996 6.595 12.637 241 HG23 VAL 27 HG23 VAL 27 -4.082 7.057 14.073 242 H GLU 28 H GLU 28 -2.015 3.934 15.223 243 HA GLU 28 HA GLU 28 -0.895 6.210 16.713 244 HB2 GLU 28 HB2 GLU 28 -0.629 4.029 17.827 245 HB3 GLU 28 HB3 GLU 28 0.163 3.389 16.394 246 HG2 GLU 28 HG2 GLU 28 1.956 5.097 16.718 247 HG3 GLU 28 HG3 GLU 28 1.187 5.534 18.244 248 H THR 29 H THR 29 0.727 7.390 15.747 249 HA THR 29 HA THR 29 1.286 7.026 12.964 250 HB THR 29 HB THR 29 3.010 8.666 14.812 251 HG1 THR 29 HG1 THR 29 0.377 8.907 14.616 252 HG21 THR 29 HG21 THR 29 3.169 10.134 12.858 253 HG22 THR 29 HG22 THR 29 2.062 9.087 11.970 254 HG23 THR 29 HG23 THR 29 3.651 8.488 12.444 255 H VAL 30 H VAL 30 2.642 5.619 12.135 256 HA VAL 30 HA VAL 30 4.016 3.691 13.511 257 HB VAL 30 HB VAL 30 4.697 4.645 10.727 258 HG11 VAL 30 HG11 VAL 30 5.359 2.336 10.323 259 HG12 VAL 30 HG12 VAL 30 4.984 1.930 11.999 260 HG13 VAL 30 HG13 VAL 30 6.299 3.048 11.635 261 HG21 VAL 30 HG21 VAL 30 2.587 2.674 11.591 262 HG22 VAL 30 HG22 VAL 30 3.051 3.020 9.924 263 HG23 VAL 30 HG23 VAL 30 2.301 4.275 10.911 264 H ASP 31 H ASP 31 5.353 6.779 12.325 265 HA ASP 31 HA ASP 31 7.638 6.348 14.130 266 HB2 ASP 31 HB2 ASP 31 8.088 6.101 11.546 267 HB3 ASP 31 HB3 ASP 31 7.985 7.857 11.554 268 H ALA 32 H ALA 32 8.703 8.994 13.389 269 HA ALA 32 HA ALA 32 8.588 11.202 13.740 270 HB1 ALA 32 HB1 ALA 32 5.587 11.014 13.912 271 HB2 ALA 32 HB2 ALA 32 6.510 11.205 12.421 272 HB3 ALA 32 HB3 ALA 32 6.561 12.463 13.653 273 H ALA 33 H ALA 33 6.856 9.191 15.974 274 HA ALA 33 HA ALA 33 7.856 10.362 18.326 275 HB1 ALA 33 HB1 ALA 33 5.836 11.386 19.231 276 HB2 ALA 33 HB2 ALA 33 4.983 11.088 17.717 277 HB3 ALA 33 HB3 ALA 33 6.335 12.223 17.760 278 H LYS 34 H LYS 34 5.752 8.341 16.549 279 HA LYS 34 HA LYS 34 4.368 6.618 16.920 280 HB2 LYS 34 HB2 LYS 34 6.282 6.126 19.197 281 HB3 LYS 34 HB3 LYS 34 4.913 5.073 18.899 282 HG2 LYS 34 HG2 LYS 34 6.584 3.958 17.819 283 HG3 LYS 34 HG3 LYS 34 5.917 4.918 16.499 284 HD2 LYS 34 HD2 LYS 34 7.691 6.587 16.836 285 HD3 LYS 34 HD3 LYS 34 8.365 5.595 18.133 286 HE2 LYS 34 HE2 LYS 34 8.687 3.757 16.524 287 HE3 LYS 34 HE3 LYS 34 8.076 4.795 15.238 288 HZ1 LYS 34 HZ1 LYS 34 9.947 6.359 15.986 289 HZ2 LYS 34 HZ2 LYS 34 10.338 5.011 15.045 290 HZ3 LYS 34 HZ3 LYS 34 10.608 4.981 16.717 291 H LYS 35 H LYS 35 2.964 8.560 17.331 292 HA LYS 35 HA LYS 35 1.926 8.573 20.075 293 HB2 LYS 35 HB2 LYS 35 0.936 10.771 19.517 294 HB3 LYS 35 HB3 LYS 35 2.681 10.762 19.420 295 HG2 LYS 35 HG2 LYS 35 2.632 10.752 17.034 296 HG3 LYS 35 HG3 LYS 35 0.888 10.489 17.024 297 HD2 LYS 35 HD2 LYS 35 2.235 12.925 18.182 298 HD3 LYS 35 HD3 LYS 35 1.553 12.843 16.556 299 HE2 LYS 35 HE2 LYS 35 -0.649 12.502 17.416 300 HE3 LYS 35 HE3 LYS 35 -0.037 12.283 19.055 301 HZ1 LYS 35 HZ1 LYS 35 0.168 14.808 17.505 302 HZ2 LYS 35 HZ2 LYS 35 0.599 14.576 19.128 303 HZ3 LYS 35 HZ3 LYS 35 -1.026 14.482 18.663 304 H ARG 36 H ARG 36 -0.211 8.306 20.499 305 HA ARG 36 HA ARG 36 -1.821 7.125 18.415 306 HB2 ARG 36 HB2 ARG 36 -3.582 7.146 20.372 307 HB3 ARG 36 HB3 ARG 36 -2.279 5.968 20.328 308 HG2 ARG 36 HG2 ARG 36 -1.141 6.971 22.068 309 HG3 ARG 36 HG3 ARG 36 -1.925 8.532 21.815 310 HD2 ARG 36 HD2 ARG 36 -3.436 6.094 22.702 311 HD3 ARG 36 HD3 ARG 36 -2.668 7.198 23.845 312 HE ARG 36 HE ARG 36 -4.081 8.956 22.628 313 HH11 ARG 36 HH11 ARG 36 -5.140 5.639 23.141 314 HH12 ARG 36 HH12 ARG 36 -6.827 6.061 23.180 315 HH21 ARG 36 HH21 ARG 36 -6.277 9.487 22.648 316 HH22 ARG 36 HH22 ARG 36 -7.469 8.253 22.910 317 H VAL 37 H VAL 37 -2.895 8.224 17.061 318 HA VAL 37 HA VAL 37 -3.979 10.882 17.739 319 HB VAL 37 HB VAL 37 -3.609 9.947 14.895 320 HG11 VAL 37 HG11 VAL 37 -4.830 12.014 15.334 321 HG12 VAL 37 HG12 VAL 37 -3.342 12.309 14.434 322 HG13 VAL 37 HG13 VAL 37 -3.414 12.671 16.160 323 HG21 VAL 37 HG21 VAL 37 -1.394 11.207 16.505 324 HG22 VAL 37 HG22 VAL 37 -1.379 10.911 14.766 325 HG23 VAL 37 HG23 VAL 37 -1.419 9.554 15.892 326 HA PRO 38 HA PRO 38 -7.917 8.785 16.921 327 HB2 PRO 38 HB2 PRO 38 -9.193 11.402 16.961 328 HB3 PRO 38 HB3 PRO 38 -9.365 10.058 18.094 329 HG2 PRO 38 HG2 PRO 38 -8.122 12.377 18.751 330 HG3 PRO 38 HG3 PRO 38 -7.669 10.810 19.447 331 HD2 PRO 38 HD2 PRO 38 -6.362 12.348 17.232 332 HD3 PRO 38 HD3 PRO 38 -5.618 11.473 18.588 333 H ALA 39 H ALA 39 -8.380 8.113 14.966 334 HA ALA 39 HA ALA 39 -8.299 9.914 12.657 335 HB1 ALA 39 HB1 ALA 39 -8.524 6.912 12.751 336 HB2 ALA 39 HB2 ALA 39 -7.036 7.821 12.488 337 HB3 ALA 39 HB3 ALA 39 -8.338 7.898 11.299 338 H TYR 40 H TYR 40 -10.190 10.939 12.402 339 HA TYR 40 HA TYR 40 -12.551 9.956 13.671 340 HB2 TYR 40 HB2 TYR 40 -12.128 12.452 12.029 341 HB3 TYR 40 HB3 TYR 40 -13.539 12.111 13.024 342 HD1 TYR 40 HD1 TYR 40 -12.973 11.541 15.554 343 HD2 TYR 40 HD2 TYR 40 -10.434 13.744 12.950 344 HE1 TYR 40 HE1 TYR 40 -11.839 12.520 17.501 345 HE2 TYR 40 HE2 TYR 40 -9.294 14.734 14.894 346 HH TYR 40 HH TYR 40 -9.660 15.164 17.242 347 H ALA 41 H ALA 41 -11.341 9.321 10.673 348 HA ALA 41 HA ALA 41 -12.045 8.110 8.932 349 HB1 ALA 41 HB1 ALA 41 -14.653 7.735 10.385 350 HB2 ALA 41 HB2 ALA 41 -13.198 6.769 10.633 351 HB3 ALA 41 HB3 ALA 41 -14.009 6.752 9.067 352 H HIS 42 H HIS 42 -13.297 11.052 9.568 353 HA HIS 42 HA HIS 42 -14.921 11.197 7.149 354 HB2 HIS 42 HB2 HIS 42 -14.428 13.006 9.476 355 HB3 HIS 42 HB3 HIS 42 -14.891 13.734 7.941 356 HD1 HIS 42 HD1 HIS 42 -17.281 14.207 7.928 357 HD2 HIS 42 HD2 HIS 42 -16.449 10.673 9.954 358 HE1 HIS 42 HE1 HIS 42 -19.516 13.294 8.635 359 HE2 HIS 42 HE2 HIS 42 -18.996 11.070 9.688 360 H ASP 43 H ASP 43 -11.748 11.303 7.996 361 HA ASP 43 HA ASP 43 -10.842 13.064 5.870 362 HB2 ASP 43 HB2 ASP 43 -9.725 12.492 8.229 363 HB3 ASP 43 HB3 ASP 43 -9.057 11.136 7.341 364 H LYS 44 H LYS 44 -8.691 11.394 4.945 365 HA LYS 44 HA LYS 44 -10.204 9.473 3.333 366 HB2 LYS 44 HB2 LYS 44 -7.449 10.675 2.947 367 HB3 LYS 44 HB3 LYS 44 -8.116 9.424 1.915 368 HG2 LYS 44 HG2 LYS 44 -8.491 11.364 0.710 369 HG3 LYS 44 HG3 LYS 44 -10.043 11.085 1.496 370 HD2 LYS 44 HD2 LYS 44 -9.350 12.704 3.274 371 HD3 LYS 44 HD3 LYS 44 -7.907 13.056 2.321 372 HE2 LYS 44 HE2 LYS 44 -9.243 13.871 0.502 373 HE3 LYS 44 HE3 LYS 44 -10.727 13.373 1.313 374 HZ1 LYS 44 HZ1 LYS 44 -8.843 15.434 2.321 375 HZ2 LYS 44 HZ2 LYS 44 -10.321 14.991 3.029 376 HZ3 LYS 44 HZ3 LYS 44 -10.298 15.749 1.516 377 H VAL 45 H VAL 45 -10.213 8.392 5.566 378 HA VAL 45 HA VAL 45 -7.756 7.018 6.271 379 HB VAL 45 HB VAL 45 -10.465 6.920 7.638 380 HG11 VAL 45 HG11 VAL 45 -9.217 6.049 9.573 381 HG12 VAL 45 HG12 VAL 45 -7.756 5.999 8.585 382 HG13 VAL 45 HG13 VAL 45 -9.131 4.972 8.177 383 HG21 VAL 45 HG21 VAL 45 -9.479 8.436 9.307 384 HG22 VAL 45 HG22 VAL 45 -9.550 9.177 7.707 385 HG23 VAL 45 HG23 VAL 45 -8.021 8.553 8.323 386 H ILE 46 H ILE 46 -7.323 5.427 4.983 387 HA ILE 46 HA ILE 46 -9.332 3.335 4.433 388 HB ILE 46 HB ILE 46 -6.865 4.117 2.818 389 HG12 ILE 46 HG12 ILE 46 -8.618 5.790 2.568 390 HG13 ILE 46 HG13 ILE 46 -8.402 4.895 1.070 391 HG21 ILE 46 HG21 ILE 46 -8.934 2.038 2.146 392 HG22 ILE 46 HG22 ILE 46 -7.240 1.751 2.561 393 HG23 ILE 46 HG23 ILE 46 -7.654 2.595 1.067 394 HD11 ILE 46 HD11 ILE 46 -10.408 3.575 1.588 395 HD12 ILE 46 HD12 ILE 46 -10.751 5.304 1.508 396 HD13 ILE 46 HD13 ILE 46 -10.618 4.504 3.073 397 H SER 47 H SER 47 -8.377 1.099 4.554 398 HA SER 47 HA SER 47 -5.911 0.970 6.160 399 HB2 SER 47 HB2 SER 47 -7.873 -0.212 7.098 400 HB3 SER 47 HB3 SER 47 -8.003 -1.174 5.626 401 HG SER 47 HG SER 47 -6.196 -1.364 7.736 402 H LEU 48 H LEU 48 -4.182 -0.386 5.452 403 HA LEU 48 HA LEU 48 -3.809 -0.623 2.629 404 HB2 LEU 48 HB2 LEU 48 -1.970 -0.196 4.233 405 HB3 LEU 48 HB3 LEU 48 -2.211 -1.796 4.912 406 HG LEU 48 HG LEU 48 -1.628 -2.711 2.601 407 HD11 LEU 48 HD11 LEU 48 -1.931 -0.670 1.329 408 HD12 LEU 48 HD12 LEU 48 -0.270 -1.244 1.193 409 HD13 LEU 48 HD13 LEU 48 -0.649 0.115 2.251 410 HD21 LEU 48 HD21 LEU 48 -0.116 -2.820 4.487 411 HD22 LEU 48 HD22 LEU 48 0.440 -1.180 4.150 412 HD23 LEU 48 HD23 LEU 48 0.765 -2.475 2.998 413 H ALA 49 H ALA 49 -5.238 -2.605 5.009 414 HA ALA 49 HA ALA 49 -4.950 -5.169 3.895 415 HB1 ALA 49 HB1 ALA 49 -7.200 -4.057 5.557 416 HB2 ALA 49 HB2 ALA 49 -5.717 -4.790 6.168 417 HB3 ALA 49 HB3 ALA 49 -6.874 -5.769 5.266 418 H ASP 50 H ASP 50 -6.970 -2.465 3.125 419 HA ASP 50 HA ASP 50 -9.203 -3.831 2.012 420 HB2 ASP 50 HB2 ASP 50 -9.797 -1.760 2.819 421 HB3 ASP 50 HB3 ASP 50 -8.294 -1.009 2.320 422 H ILE 51 H ILE 51 -6.275 -2.424 0.637 423 HA ILE 51 HA ILE 51 -7.299 -2.491 -2.050 424 HB ILE 51 HB ILE 51 -4.402 -2.099 -1.249 425 HG12 ILE 51 HG12 ILE 51 -5.295 0.399 -1.869 426 HG13 ILE 51 HG13 ILE 51 -6.715 -0.262 -1.069 427 HG21 ILE 51 HG21 ILE 51 -4.244 -0.927 -3.398 428 HG22 ILE 51 HG22 ILE 51 -5.940 -1.286 -3.722 429 HG23 ILE 51 HG23 ILE 51 -4.767 -2.599 -3.614 430 HD11 ILE 51 HD11 ILE 51 -3.948 -0.127 0.111 431 HD12 ILE 51 HD12 ILE 51 -5.399 -0.732 0.915 432 HD13 ILE 51 HD13 ILE 51 -5.280 0.971 0.468 433 H ALA 52 H ALA 52 -7.484 -4.224 -3.183 434 HA ALA 52 HA ALA 52 -5.456 -6.348 -2.988 435 HB1 ALA 52 HB1 ALA 52 -7.636 -7.103 -2.161 436 HB2 ALA 52 HB2 ALA 52 -7.212 -7.924 -3.665 437 HB3 ALA 52 HB3 ALA 52 -8.388 -6.607 -3.678 438 H MET 53 H MET 53 -4.847 -7.308 -4.997 439 HA MET 53 HA MET 53 -5.549 -5.681 -7.343 440 HB2 MET 53 HB2 MET 53 -2.872 -6.800 -6.541 441 HB3 MET 53 HB3 MET 53 -3.236 -6.380 -8.208 442 HG2 MET 53 HG2 MET 53 -3.751 -4.070 -7.437 443 HG3 MET 53 HG3 MET 53 -3.171 -4.537 -5.836 444 HE1 MET 53 HE1 MET 53 -2.028 -2.101 -7.628 445 HE2 MET 53 HE2 MET 53 -0.301 -2.272 -7.317 446 HE3 MET 53 HE3 MET 53 -1.457 -2.466 -6.000 447 H TYR 54 H TYR 54 -6.314 -6.739 -9.010 448 HA TYR 54 HA TYR 54 -6.239 -9.671 -8.963 449 HB2 TYR 54 HB2 TYR 54 -7.934 -7.878 -10.719 450 HB3 TYR 54 HB3 TYR 54 -8.126 -9.609 -10.470 451 HD1 TYR 54 HD2 TYR 54 -8.407 -10.215 -7.822 452 HD2 TYR 54 HD1 TYR 54 -9.449 -6.527 -9.668 453 HE1 TYR 54 HE2 TYR 54 -9.982 -9.755 -5.995 454 HE2 TYR 54 HE1 TYR 54 -11.027 -6.053 -7.851 455 HH TYR 54 HH TYR 54 -11.041 -7.681 -4.939 456 H THR 55 H THR 55 -5.350 -10.807 -10.692 457 HA THR 55 HA THR 55 -4.206 -9.341 -12.907 458 HB THR 55 HB THR 55 -2.574 -9.010 -11.068 459 HG1 THR 55 HG1 THR 55 -1.137 -9.023 -12.578 460 HG21 THR 55 HG21 THR 55 -2.907 -11.039 -9.791 461 HG22 THR 55 HG22 THR 55 -1.211 -10.875 -10.246 462 HG23 THR 55 HG23 THR 55 -2.250 -12.007 -11.112 463 H ASP 56 H ASP 56 -2.521 -11.298 -13.932 464 HA ASP 56 HA ASP 56 -4.319 -13.261 -14.941 465 HB2 ASP 56 HB2 ASP 56 -2.360 -12.291 -16.159 466 HB3 ASP 56 HB3 ASP 56 -1.300 -13.216 -15.108 467 H ALA 57 H ALA 57 -2.048 -13.211 -12.321 468 HA ALA 57 HA ALA 57 -2.435 -16.040 -11.718 469 HB1 ALA 57 HB1 ALA 57 -0.168 -15.153 -11.541 470 HB2 ALA 57 HB2 ALA 57 -0.759 -15.663 -9.958 471 HB3 ALA 57 HB3 ALA 57 -0.715 -13.949 -10.374 472 H GLU 58 H GLU 58 -2.307 -15.834 -8.906 473 HA GLU 58 HA GLU 58 -4.982 -15.530 -8.150 474 HB2 GLU 58 HB2 GLU 58 -2.535 -15.511 -6.377 475 HB3 GLU 58 HB3 GLU 58 -4.178 -15.857 -5.861 476 HG2 GLU 58 HG2 GLU 58 -2.706 -17.495 -7.898 477 HG3 GLU 58 HG3 GLU 58 -2.666 -17.840 -6.171 478 H GLU 59 H GLU 59 -5.782 -14.166 -6.312 479 HA GLU 59 HA GLU 59 -5.384 -11.376 -6.714 480 HB2 GLU 59 HB2 GLU 59 -7.530 -12.356 -5.967 481 HB3 GLU 59 HB3 GLU 59 -6.775 -12.855 -4.467 482 HG2 GLU 59 HG2 GLU 59 -6.705 -9.962 -5.130 483 HG3 GLU 59 HG3 GLU 59 -8.259 -10.661 -4.675 484 H VAL 60 H VAL 60 -3.996 -10.042 -5.766 485 HA VAL 60 HA VAL 60 -2.356 -11.110 -3.584 486 HB VAL 60 HB VAL 60 -1.086 -11.302 -5.627 487 HG11 VAL 60 HG11 VAL 60 -1.477 -8.352 -6.077 488 HG12 VAL 60 HG12 VAL 60 -2.174 -9.660 -7.032 489 HG13 VAL 60 HG13 VAL 60 -0.428 -9.411 -7.022 490 HG21 VAL 60 HG21 VAL 60 0.908 -9.996 -5.092 491 HG22 VAL 60 HG22 VAL 60 0.190 -10.746 -3.665 492 HG23 VAL 60 HG23 VAL 60 -0.044 -9.024 -3.969 493 HA PRO 61 HA PRO 61 -3.900 -7.364 -1.585 494 HB2 PRO 61 HB2 PRO 61 -2.604 -7.792 0.787 495 HB3 PRO 61 HB3 PRO 61 -4.134 -8.559 0.346 496 HG2 PRO 61 HG2 PRO 61 -1.356 -9.649 0.213 497 HG3 PRO 61 HG3 PRO 61 -2.851 -10.449 0.730 498 HD2 PRO 61 HD2 PRO 61 -1.761 -10.852 -1.706 499 HD3 PRO 61 HD3 PRO 61 -3.515 -10.880 -1.435 500 H LEU 62 H LEU 62 -3.033 -5.374 -0.825 501 HA LEU 62 HA LEU 62 -0.879 -4.555 -2.439 502 HB2 LEU 62 HB2 LEU 62 -2.885 -3.177 -1.549 503 HB3 LEU 62 HB3 LEU 62 -1.848 -2.856 -0.174 504 HG LEU 62 HG LEU 62 -0.130 -1.930 -1.752 505 HD11 LEU 62 HD11 LEU 62 -0.824 -1.409 -4.029 506 HD12 LEU 62 HD12 LEU 62 -2.365 -2.224 -3.756 507 HD13 LEU 62 HD13 LEU 62 -0.865 -3.150 -3.741 508 HD21 LEU 62 HD21 LEU 62 -2.832 -0.620 -1.886 509 HD22 LEU 62 HD22 LEU 62 -1.280 0.150 -2.222 510 HD23 LEU 62 HD23 LEU 62 -1.643 -0.430 -0.597 511 H SER 63 H SER 63 -0.878 -5.586 0.889 512 HA SER 63 HA SER 63 1.476 -4.327 1.759 513 HB2 SER 63 HB2 SER 63 1.526 -6.267 3.412 514 HB3 SER 63 HB3 SER 63 0.057 -5.288 3.389 515 HG SER 63 HG SER 63 0.384 -7.932 2.825 516 H GLU 64 H GLU 64 1.052 -7.615 0.375 517 HA GLU 64 HA GLU 64 3.892 -7.991 0.287 518 HB2 GLU 64 HB2 GLU 64 3.420 -10.113 -0.845 519 HB3 GLU 64 HB3 GLU 64 2.583 -9.939 0.685 520 HG2 GLU 64 HG2 GLU 64 0.517 -9.453 -0.486 521 HG3 GLU 64 HG3 GLU 64 1.356 -9.564 -2.036 522 H VAL 65 H VAL 65 1.459 -6.845 -1.931 523 HA VAL 65 HA VAL 65 2.875 -6.773 -4.335 524 HB VAL 65 HB VAL 65 0.807 -4.893 -3.182 525 HG11 VAL 65 HG11 VAL 65 0.558 -3.893 -5.398 526 HG12 VAL 65 HG12 VAL 65 1.963 -4.797 -5.964 527 HG13 VAL 65 HG13 VAL 65 2.149 -3.565 -4.715 528 HG21 VAL 65 HG21 VAL 65 0.717 -6.924 -5.397 529 HG22 VAL 65 HG22 VAL 65 -0.617 -5.877 -4.911 530 HG23 VAL 65 HG23 VAL 65 0.009 -7.085 -3.788 531 H LEU 66 H LEU 66 2.974 -4.496 -1.582 532 HA LEU 66 HA LEU 66 4.677 -2.515 -2.547 533 HB2 LEU 66 HB2 LEU 66 4.726 -3.683 0.239 534 HB3 LEU 66 HB3 LEU 66 5.388 -2.136 -0.232 535 HG LEU 66 HG LEU 66 2.449 -2.755 -0.418 536 HD11 LEU 66 HD11 LEU 66 2.224 -1.600 1.720 537 HD12 LEU 66 HD12 LEU 66 3.981 -1.518 1.855 538 HD13 LEU 66 HD13 LEU 66 3.166 -3.083 1.876 539 HD21 LEU 66 HD21 LEU 66 3.953 -0.151 -0.224 540 HD22 LEU 66 HD22 LEU 66 2.207 -0.360 -0.399 541 HD23 LEU 66 HD23 LEU 66 3.287 -0.834 -1.710 542 H GLU 67 H GLU 67 5.507 -5.571 -0.944 543 HA GLU 67 HA GLU 67 8.308 -5.036 -0.987 544 HB2 GLU 67 HB2 GLU 67 7.108 -6.388 0.766 545 HB3 GLU 67 HB3 GLU 67 6.968 -7.682 -0.416 546 HG2 GLU 67 HG2 GLU 67 8.864 -7.895 1.226 547 HG3 GLU 67 HG3 GLU 67 9.308 -8.007 -0.476 548 H ALA 68 H ALA 68 6.130 -6.776 -3.109 549 HA ALA 68 HA ALA 68 7.956 -8.501 -4.350 550 HB1 ALA 68 HB1 ALA 68 6.339 -8.652 -6.165 551 HB2 ALA 68 HB2 ALA 68 5.501 -7.225 -5.557 552 HB3 ALA 68 HB3 ALA 68 5.531 -8.707 -4.598 553 H VAL 69 H VAL 69 6.903 -5.254 -5.384 554 HA VAL 69 HA VAL 69 8.805 -5.187 -7.534 555 HB VAL 69 HB VAL 69 8.046 -2.701 -7.667 556 HG11 VAL 69 HG11 VAL 69 6.151 -4.990 -8.161 557 HG12 VAL 69 HG12 VAL 69 7.411 -4.419 -9.254 558 HG13 VAL 69 HG13 VAL 69 6.029 -3.387 -8.887 559 HG21 VAL 69 HG21 VAL 69 5.865 -3.848 -5.916 560 HG22 VAL 69 HG22 VAL 69 5.799 -2.304 -6.767 561 HG23 VAL 69 HG23 VAL 69 6.975 -2.548 -5.474 562 H LYS 70 H LYS 70 8.743 -4.045 -4.268 563 HA LYS 70 HA LYS 70 10.895 -2.202 -4.333 564 HB2 LYS 70 HB2 LYS 70 9.225 -2.226 -2.582 565 HB3 LYS 70 HB3 LYS 70 9.676 -3.853 -2.121 566 HG2 LYS 70 HG2 LYS 70 11.791 -3.055 -1.274 567 HG3 LYS 70 HG3 LYS 70 11.403 -1.418 -1.817 568 HD2 LYS 70 HD2 LYS 70 9.732 -1.146 -0.229 569 HD3 LYS 70 HD3 LYS 70 9.535 -2.884 -0.001 570 HE2 LYS 70 HE2 LYS 70 11.987 -1.341 0.829 571 HE3 LYS 70 HE3 LYS 70 10.636 -1.701 1.904 572 HZ1 LYS 70 HZ1 LYS 70 12.396 -3.322 2.170 573 HZ2 LYS 70 HZ2 LYS 70 12.338 -3.701 0.521 574 HZ3 LYS 70 HZ3 LYS 70 11.016 -4.064 1.513 575 H LYS 71 H LYS 71 10.748 -5.681 -3.986 576 HA LYS 71 HA LYS 71 13.266 -6.123 -2.742 577 HB2 LYS 71 HB2 LYS 71 11.321 -7.671 -2.663 578 HB3 LYS 71 HB3 LYS 71 11.542 -8.010 -4.369 579 HG2 LYS 71 HG2 LYS 71 13.795 -8.923 -3.828 580 HG3 LYS 71 HG3 LYS 71 13.406 -8.713 -2.117 581 HD2 LYS 71 HD2 LYS 71 11.559 -10.228 -2.285 582 HD3 LYS 71 HD3 LYS 71 11.734 -10.323 -4.039 583 HE2 LYS 71 HE2 LYS 71 13.938 -11.356 -3.750 584 HE3 LYS 71 HE3 LYS 71 13.741 -11.279 -1.997 585 HZ1 LYS 71 HZ1 LYS 71 12.001 -12.796 -3.869 586 HZ2 LYS 71 HZ2 LYS 71 11.817 -12.726 -2.184 587 HZ3 LYS 71 HZ3 LYS 71 13.184 -13.468 -2.859 588 H LYS 72 H LYS 72 12.265 -5.693 -6.039 589 HA LYS 72 HA LYS 72 14.295 -7.020 -7.440 590 HB2 LYS 72 HB2 LYS 72 12.141 -6.076 -8.379 591 HB3 LYS 72 HB3 LYS 72 12.884 -4.489 -8.314 592 HG2 LYS 72 HG2 LYS 72 14.293 -6.643 -9.810 593 HG3 LYS 72 HG3 LYS 72 12.855 -5.917 -10.523 594 HD2 LYS 72 HD2 LYS 72 13.839 -3.782 -10.597 595 HD3 LYS 72 HD3 LYS 72 15.139 -4.247 -9.500 596 HE2 LYS 72 HE2 LYS 72 15.993 -4.089 -11.751 597 HE3 LYS 72 HE3 LYS 72 16.013 -5.774 -11.231 598 HZ1 LYS 72 HZ1 LYS 72 13.949 -4.526 -12.977 599 HZ2 LYS 72 HZ2 LYS 72 13.996 -6.155 -12.493 600 HZ3 LYS 72 HZ3 LYS 72 15.210 -5.538 -13.498 601 H GLU 73 H GLU 73 14.172 -3.638 -6.273 602 HA GLU 73 HA GLU 73 17.029 -3.423 -6.948 603 HB2 GLU 73 HB2 GLU 73 15.269 -1.820 -7.974 604 HB3 GLU 73 HB3 GLU 73 15.269 -1.052 -6.392 605 HG2 GLU 73 HG2 GLU 73 17.669 -0.626 -6.588 606 HG3 GLU 73 HG3 GLU 73 17.683 -1.413 -8.164 607 H ASN 74 H ASN 74 16.381 -4.821 -4.707 608 HA ASN 74 HA ASN 74 17.387 -5.195 -2.708 609 HB2 ASN 74 HB2 ASN 74 19.104 -3.497 -3.969 610 HB3 ASN 74 HB3 ASN 74 18.779 -2.595 -2.498 611 HD21 ASN 74 HD21 ASN 74 18.434 -5.006 -0.867 612 HD22 ASN 74 HD22 ASN 74 20.022 -5.652 -0.643 613 H GLY 75 H GLY 75 14.864 -3.326 -2.917 614 HA2 GLY 75 HA2 GLY 75 13.435 -2.411 -1.365 615 HA3 GLY 75 HA3 GLY 75 14.571 -2.889 -0.116 616 H ALA 76 H ALA 76 14.930 -0.648 -2.862 617 HA ALA 76 HA ALA 76 16.153 1.257 -1.015 618 HB1 ALA 76 HB1 ALA 76 17.123 2.280 -2.975 619 HB2 ALA 76 HB2 ALA 76 16.177 1.228 -4.027 620 HB3 ALA 76 HB3 ALA 76 17.427 0.542 -2.986 621 H VAL 77 H VAL 77 13.665 1.425 -0.417 622 HA VAL 77 HA VAL 77 12.072 2.922 0.114 623 HB VAL 77 HB VAL 77 13.420 4.993 -1.631 624 HG11 VAL 77 HG11 VAL 77 11.586 5.237 0.759 625 HG12 VAL 77 HG12 VAL 77 11.154 5.567 -0.919 626 HG13 VAL 77 HG13 VAL 77 12.342 6.581 -0.098 627 HG21 VAL 77 HG21 VAL 77 15.052 4.110 -0.043 628 HG22 VAL 77 HG22 VAL 77 13.916 4.366 1.283 629 HG23 VAL 77 HG23 VAL 77 14.569 5.748 0.401 630 H ALA 78 H ALA 78 12.737 3.708 -3.324 631 HA ALA 78 HA ALA 78 10.348 2.797 -4.413 632 HB1 ALA 78 HB1 ALA 78 9.159 4.900 -4.843 633 HB2 ALA 78 HB2 ALA 78 10.322 5.775 -3.845 634 HB3 ALA 78 HB3 ALA 78 9.248 4.583 -3.109 635 H SER 79 H SER 79 11.530 2.207 -6.135 636 HA SER 79 HA SER 79 13.697 3.733 -7.188 637 HB2 SER 79 HB2 SER 79 12.237 1.416 -8.474 638 HB3 SER 79 HB3 SER 79 13.884 1.953 -8.808 639 HG SER 79 HG SER 79 14.570 0.943 -7.089 640 H ILE 80 H ILE 80 10.331 3.493 -7.866 641 HA ILE 80 HA ILE 80 10.435 4.818 -10.432 642 HB ILE 80 HB ILE 80 8.817 3.039 -10.099 643 HG12 ILE 80 HG12 ILE 80 7.415 5.730 -10.243 644 HG13 ILE 80 HG13 ILE 80 8.104 4.854 -11.601 645 HG21 ILE 80 HG21 ILE 80 7.762 4.703 -7.825 646 HG22 ILE 80 HG22 ILE 80 8.577 3.141 -7.719 647 HG23 ILE 80 HG23 ILE 80 6.984 3.254 -8.466 648 HD11 ILE 80 HD11 ILE 80 5.779 3.930 -9.922 649 HD12 ILE 80 HD12 ILE 80 6.443 3.101 -11.332 650 HD13 ILE 80 HD13 ILE 80 5.671 4.677 -11.518 651 H ASN 81 H ASN 81 9.972 6.918 -10.810 652 HA ASN 81 HA ASN 81 9.060 8.595 -8.606 653 HB2 ASN 81 HB2 ASN 81 9.578 10.473 -10.375 654 HB3 ASN 81 HB3 ASN 81 10.868 9.750 -9.437 655 HD21 ASN 81 HD21 ASN 81 9.298 8.369 -12.343 656 HD22 ASN 81 HD22 ASN 81 10.731 8.407 -13.315 657 H TYR 82 H TYR 82 6.931 8.921 -8.459 658 HA TYR 82 HA TYR 82 5.301 7.829 -10.613 659 HB2 TYR 82 HB2 TYR 82 3.575 7.508 -9.077 660 HB3 TYR 82 HB3 TYR 82 5.038 7.165 -8.175 661 HD1 TYR 82 HD1 TYR 82 5.959 9.601 -7.022 662 HD2 TYR 82 HD2 TYR 82 1.946 8.462 -7.847 663 HE1 TYR 82 HE1 TYR 82 5.180 11.074 -5.225 664 HE2 TYR 82 HE2 TYR 82 1.152 9.953 -6.066 665 HH TYR 82 HH TYR 82 3.127 12.299 -4.616 666 H LYS 83 H LYS 83 5.930 10.903 -9.215 667 HA LYS 83 HA LYS 83 3.687 12.265 -10.361 668 HB2 LYS 83 HB2 LYS 83 4.852 13.046 -8.333 669 HB3 LYS 83 HB3 LYS 83 6.321 13.277 -9.261 670 HG2 LYS 83 HG2 LYS 83 5.385 15.393 -8.946 671 HG3 LYS 83 HG3 LYS 83 5.066 14.963 -10.623 672 HD2 LYS 83 HD2 LYS 83 3.086 15.976 -9.728 673 HD3 LYS 83 HD3 LYS 83 2.770 14.250 -9.920 674 HE2 LYS 83 HE2 LYS 83 3.110 13.872 -7.570 675 HE3 LYS 83 HE3 LYS 83 3.632 15.538 -7.335 676 HZ1 LYS 83 HZ1 LYS 83 0.917 14.683 -8.169 677 HZ2 LYS 83 HZ2 LYS 83 1.421 16.282 -7.921 678 HZ3 LYS 83 HZ3 LYS 83 1.355 15.202 -6.616 679 H LYS 84 H LYS 84 6.851 11.321 -11.298 680 HA LYS 84 HA LYS 84 6.807 12.803 -13.807 681 HB2 LYS 84 HB2 LYS 84 8.852 12.624 -12.398 682 HB3 LYS 84 HB3 LYS 84 8.843 10.889 -12.646 683 HG2 LYS 84 HG2 LYS 84 9.193 11.237 -15.043 684 HG3 LYS 84 HG3 LYS 84 9.233 12.982 -14.771 685 HD2 LYS 84 HD2 LYS 84 11.067 11.081 -13.343 686 HD3 LYS 84 HD3 LYS 84 11.475 11.780 -14.916 687 HE2 LYS 84 HE2 LYS 84 10.835 13.350 -12.411 688 HE3 LYS 84 HE3 LYS 84 12.457 13.038 -13.024 689 HZ1 LYS 84 HZ1 LYS 84 11.883 14.250 -15.041 690 HZ2 LYS 84 HZ2 LYS 84 11.687 15.226 -13.673 691 HZ3 LYS 84 HZ3 LYS 84 10.331 14.561 -14.437 692 H ALA 85 H ALA 85 5.392 10.018 -12.706 693 HA ALA 85 HA ALA 85 6.065 8.358 -15.019 694 HB1 ALA 85 HB1 ALA 85 4.909 6.542 -13.860 695 HB2 ALA 85 HB2 ALA 85 4.453 7.646 -12.560 696 HB3 ALA 85 HB3 ALA 85 6.152 7.253 -12.828 697 H SER 86 H SER 86 4.779 8.216 -16.664 698 HA SER 86 HA SER 86 2.134 9.391 -16.654 699 HB2 SER 86 HB2 SER 86 2.239 8.776 -19.089 700 HB3 SER 86 HB3 SER 86 3.564 9.810 -18.553 701 HG SER 86 HG SER 86 4.475 8.193 -19.737 702 H ALA 87 H ALA 87 0.859 7.663 -18.508 703 HA ALA 87 HA ALA 87 -0.021 5.481 -16.920 704 HB1 ALA 87 HB1 ALA 87 -1.408 6.486 -18.668 705 HB2 ALA 87 HB2 ALA 87 -1.233 4.748 -18.893 706 HB3 ALA 87 HB3 ALA 87 -0.308 5.864 -19.899 707 H ASP 88 H ASP 88 2.317 5.773 -19.535 708 HA ASP 88 HA ASP 88 2.857 2.978 -19.750 709 HB2 ASP 88 HB2 ASP 88 3.165 4.554 -21.624 710 HB3 ASP 88 HB3 ASP 88 4.483 5.319 -20.742 711 H GLU 89 H GLU 89 4.579 5.693 -18.236 712 HA GLU 89 HA GLU 89 6.850 4.209 -17.428 713 HB2 GLU 89 HB2 GLU 89 5.717 6.797 -16.379 714 HB3 GLU 89 HB3 GLU 89 7.263 6.130 -15.880 715 HG2 GLU 89 HG2 GLU 89 6.557 6.851 -18.707 716 HG3 GLU 89 HG3 GLU 89 7.413 7.915 -17.591 717 H LEU 90 H LEU 90 3.716 4.632 -15.983 718 HA LEU 90 HA LEU 90 4.363 3.892 -13.324 719 HB2 LEU 90 HB2 LEU 90 2.290 5.103 -14.084 720 HB3 LEU 90 HB3 LEU 90 1.707 3.571 -14.709 721 HG LEU 90 HG LEU 90 1.937 2.657 -12.369 722 HD11 LEU 90 HD11 LEU 90 3.467 4.325 -11.509 723 HD12 LEU 90 HD12 LEU 90 1.984 4.298 -10.553 724 HD13 LEU 90 HD13 LEU 90 2.253 5.586 -11.730 725 HD21 LEU 90 HD21 LEU 90 -0.176 3.652 -11.629 726 HD22 LEU 90 HD22 LEU 90 -0.214 3.241 -13.342 727 HD23 LEU 90 HD23 LEU 90 -0.005 4.919 -12.844 728 H HIS 91 H HIS 91 3.070 2.043 -16.106 729 HA HIS 91 HA HIS 91 2.851 -0.324 -14.512 730 HB2 HIS 91 HB2 HIS 91 2.062 -1.472 -16.513 731 HB3 HIS 91 HB3 HIS 91 1.190 0.015 -16.220 732 HD1 HIS 91 HD1 HIS 91 0.601 1.108 -18.309 733 HD2 HIS 91 HD2 HIS 91 4.237 -0.879 -18.645 734 HE1 HIS 91 HE1 HIS 91 1.293 1.364 -20.713 735 HE2 HIS 91 HE2 HIS 91 3.585 0.341 -20.836 736 H ALA 92 H ALA 92 5.424 1.076 -16.162 737 HA ALA 92 HA ALA 92 6.853 -1.245 -16.960 738 HB1 ALA 92 HB1 ALA 92 7.890 1.496 -16.250 739 HB2 ALA 92 HB2 ALA 92 7.347 0.978 -17.846 740 HB3 ALA 92 HB3 ALA 92 8.778 0.245 -17.122 741 H TYR 93 H TYR 93 6.575 0.513 -13.934 742 HA TYR 93 HA TYR 93 8.797 -0.758 -12.652 743 HB2 TYR 93 HB2 TYR 93 8.011 1.486 -12.004 744 HB3 TYR 93 HB3 TYR 93 6.500 0.785 -11.443 745 HD1 TYR 93 HD2 TYR 93 10.182 0.449 -10.898 746 HD2 TYR 93 HD1 TYR 93 6.290 0.292 -9.177 747 HE1 TYR 93 HE2 TYR 93 11.182 0.129 -8.676 748 HE2 TYR 93 HE1 TYR 93 7.285 -0.028 -6.951 749 HH TYR 93 HH TYR 93 9.355 -0.788 -5.936 750 H PHE 94 H PHE 94 5.333 -1.449 -12.877 751 HA PHE 94 HA PHE 94 5.472 -3.364 -10.716 752 HB2 PHE 94 HB2 PHE 94 3.420 -1.932 -11.322 753 HB3 PHE 94 HB3 PHE 94 3.169 -3.095 -12.622 754 HD1 PHE 94 HD1 PHE 94 3.711 -2.941 -8.946 755 HD2 PHE 94 HD2 PHE 94 1.943 -5.009 -12.207 756 HE1 PHE 94 HE1 PHE 94 2.608 -4.471 -7.377 757 HE2 PHE 94 HE2 PHE 94 0.835 -6.541 -10.643 758 HZ PHE 94 HZ PHE 94 1.168 -6.276 -8.224 759 H ALA 95 H ALA 95 5.822 -3.309 -14.148 760 HA ALA 95 HA ALA 95 5.327 -6.093 -14.599 761 HB1 ALA 95 HB1 ALA 95 4.925 -4.401 -16.334 762 HB2 ALA 95 HB2 ALA 95 6.036 -5.660 -16.879 763 HB3 ALA 95 HB3 ALA 95 6.658 -4.081 -16.402 764 H GLU 96 H GLU 96 7.881 -4.500 -13.178 765 HA GLU 96 HA GLU 96 10.178 -5.790 -14.114 766 HB2 GLU 96 HB2 GLU 96 9.478 -4.761 -11.362 767 HB3 GLU 96 HB3 GLU 96 11.086 -5.310 -11.811 768 HG2 GLU 96 HG2 GLU 96 9.622 -3.061 -13.162 769 HG3 GLU 96 HG3 GLU 96 10.750 -2.841 -11.830 770 H VAL 97 H VAL 97 8.003 -6.703 -11.431 771 HA VAL 97 HA VAL 97 9.302 -9.338 -11.410 772 HB VAL 97 HB VAL 97 8.335 -9.652 -9.137 773 HG11 VAL 97 HG11 VAL 97 10.145 -7.272 -9.516 774 HG12 VAL 97 HG12 VAL 97 10.634 -8.965 -9.410 775 HG13 VAL 97 HG13 VAL 97 9.926 -8.161 -8.008 776 HG21 VAL 97 HG21 VAL 97 7.633 -6.724 -9.372 777 HG22 VAL 97 HG22 VAL 97 7.522 -7.699 -7.905 778 HG23 VAL 97 HG23 VAL 97 6.485 -8.061 -9.285 779 H LEU 98 H LEU 98 6.319 -7.736 -12.085 780 HA LEU 98 HA LEU 98 5.104 -10.384 -12.482 781 HB2 LEU 98 HB2 LEU 98 3.897 -7.838 -11.537 782 HB3 LEU 98 HB3 LEU 98 2.925 -8.827 -12.605 783 HG LEU 98 HG LEU 98 3.492 -10.732 -10.892 784 HD11 LEU 98 HD11 LEU 98 3.686 -9.933 -8.601 785 HD12 LEU 98 HD12 LEU 98 3.828 -8.275 -9.182 786 HD13 LEU 98 HD13 LEU 98 5.084 -9.454 -9.564 787 HD21 LEU 98 HD21 LEU 98 1.262 -9.908 -11.374 788 HD22 LEU 98 HD22 LEU 98 1.522 -8.528 -10.307 789 HD23 LEU 98 HD23 LEU 98 1.468 -10.159 -9.640 790 HA PRO 99 HA PRO 99 5.301 -8.808 -16.763 791 HB2 PRO 99 HB2 PRO 99 5.981 -11.477 -17.581 792 HB3 PRO 99 HB3 PRO 99 6.989 -10.031 -17.633 793 HG2 PRO 99 HG2 PRO 99 7.469 -12.185 -15.992 794 HG3 PRO 99 HG3 PRO 99 8.029 -10.536 -15.664 795 HD2 PRO 99 HD2 PRO 99 5.658 -11.989 -14.559 796 HD3 PRO 99 HD3 PRO 99 6.811 -10.917 -13.732 797 H ASN 100 H ASN 100 3.612 -11.179 -15.040 798 HA ASN 100 HA ASN 100 1.721 -11.877 -17.127 799 HB2 ASN 100 HB2 ASN 100 0.660 -13.244 -15.396 800 HB3 ASN 100 HB3 ASN 100 2.396 -13.525 -15.394 801 HD21 ASN 100 HD21 ASN 100 -0.309 -12.412 -13.613 802 HD22 ASN 100 HD22 ASN 100 0.515 -12.096 -12.126 803 H TYR 101 H TYR 101 2.225 -9.239 -15.218 804 HA TYR 101 HA TYR 101 -0.409 -8.612 -14.372 805 HB2 TYR 101 HB2 TYR 101 1.071 -7.499 -13.059 806 HB3 TYR 101 HB3 TYR 101 2.262 -7.356 -14.337 807 HD1 TYR 101 HD2 TYR 101 -0.945 -5.888 -13.128 808 HD2 TYR 101 HD1 TYR 101 2.617 -5.313 -15.379 809 HE1 TYR 101 HE2 TYR 101 -1.495 -3.511 -13.385 810 HE2 TYR 101 HE1 TYR 101 2.076 -2.939 -15.637 811 HH TYR 101 HH TYR 101 -0.482 -1.428 -13.871 812 H ASP 102 H ASP 102 -2.030 -7.800 -15.466 813 HA ASP 102 HA ASP 102 -1.446 -6.237 -17.881 814 HB2 ASP 102 HB2 ASP 102 -2.787 -8.323 -18.267 815 HB3 ASP 102 HB3 ASP 102 -4.033 -7.663 -17.217 816 H ARG 103 H ARG 103 -2.567 -4.273 -18.121 817 HA ARG 103 HA ARG 103 -2.926 -2.949 -15.567 818 HB2 ARG 103 HB2 ARG 103 -2.898 -0.848 -16.959 819 HB3 ARG 103 HB3 ARG 103 -1.450 -1.833 -17.063 820 HG2 ARG 103 HG2 ARG 103 -3.543 -2.243 -19.129 821 HG3 ARG 103 HG3 ARG 103 -2.606 -0.750 -19.186 822 HD2 ARG 103 HD2 ARG 103 -0.595 -1.883 -19.528 823 HD3 ARG 103 HD3 ARG 103 -1.244 -3.410 -18.938 824 HE ARG 103 HE ARG 103 -2.560 -2.473 -21.314 825 HH11 ARG 103 HH11 ARG 103 0.257 -4.228 -20.154 826 HH12 ARG 103 HH12 ARG 103 0.433 -5.156 -21.609 827 HH21 ARG 103 HH21 ARG 103 -2.337 -3.730 -23.206 828 HH22 ARG 103 HH22 ARG 103 -1.038 -4.873 -23.332 829 H ASP 104 H ASP 104 -5.075 -4.688 -16.721 830 HA ASP 104 HA ASP 104 -7.269 -2.764 -17.006 831 HB2 ASP 104 HB2 ASP 104 -7.099 -4.568 -18.682 832 HB3 ASP 104 HB3 ASP 104 -7.220 -5.765 -17.404 833 H ARG 105 H ARG 105 -6.293 -5.602 -15.126 834 HA ARG 105 HA ARG 105 -8.597 -5.314 -13.368 835 HB2 ARG 105 HB2 ARG 105 -6.422 -7.408 -13.314 836 HB3 ARG 105 HB3 ARG 105 -7.972 -7.467 -12.483 837 HG2 ARG 105 HG2 ARG 105 -9.151 -7.634 -14.552 838 HG3 ARG 105 HG3 ARG 105 -7.668 -7.377 -15.472 839 HD2 ARG 105 HD2 ARG 105 -6.767 -9.471 -14.460 840 HD3 ARG 105 HD3 ARG 105 -8.350 -9.736 -13.728 841 HE ARG 105 HE ARG 105 -8.359 -9.352 -16.599 842 HH11 ARG 105 HH11 ARG 105 -8.290 -11.704 -13.987 843 HH12 ARG 105 HH12 ARG 105 -8.814 -13.021 -14.993 844 HH21 ARG 105 HH21 ARG 105 -9.058 -11.054 -17.897 845 HH22 ARG 105 HH22 ARG 105 -9.256 -12.645 -17.229 846 H VAL 106 H VAL 106 -5.235 -4.606 -13.388 847 HA VAL 106 HA VAL 106 -5.280 -3.769 -10.580 848 HB VAL 106 HB VAL 106 -3.054 -3.670 -12.658 849 HG11 VAL 106 HG11 VAL 106 -1.541 -3.184 -10.817 850 HG12 VAL 106 HG12 VAL 106 -2.908 -3.114 -9.705 851 HG13 VAL 106 HG13 VAL 106 -2.758 -1.919 -10.994 852 HG21 VAL 106 HG21 VAL 106 -3.426 -5.506 -10.299 853 HG22 VAL 106 HG22 VAL 106 -2.032 -5.477 -11.379 854 HG23 VAL 106 HG23 VAL 106 -3.616 -5.944 -11.997 855 H HIS 107 H HIS 107 -6.119 -1.728 -10.180 856 HA HIS 107 HA HIS 107 -6.105 0.298 -12.255 857 HB2 HIS 107 HB2 HIS 107 -8.510 0.313 -12.668 858 HB3 HIS 107 HB3 HIS 107 -7.843 -1.251 -13.085 859 HD1 HIS 107 HD1 HIS 107 -8.332 -3.210 -11.230 860 HD2 HIS 107 HD2 HIS 107 -10.655 0.230 -10.975 861 HE1 HIS 107 HE1 HIS 107 -10.317 -3.840 -9.820 862 HE2 HIS 107 HE2 HIS 107 -11.777 -1.787 -9.797 863 H ASN 108 H ASN 108 -7.720 2.107 -11.700 864 HA ASN 108 HA ASN 108 -8.663 3.685 -10.394 865 HB2 ASN 108 HB2 ASN 108 -9.375 1.487 -8.991 866 HB3 ASN 108 HB3 ASN 108 -8.374 2.291 -7.790 867 HD21 ASN 108 HD21 ASN 108 -11.177 1.807 -7.633 868 HD22 ASN 108 HD22 ASN 108 -11.969 3.341 -7.555 869 H GLY 109 H GLY 109 -5.709 3.215 -10.726 870 HA2 GLY 109 HA2 GLY 109 -3.855 4.509 -10.255 871 HA3 GLY 109 HA3 GLY 109 -4.848 5.451 -9.158 872 H ASP 110 H ASP 110 -4.386 1.968 -8.982 873 HA ASP 110 HA ASP 110 -3.795 2.179 -6.190 874 HB2 ASP 110 HB2 ASP 110 -3.776 -0.300 -6.192 875 HB3 ASP 110 HB3 ASP 110 -5.250 0.398 -6.827 876 H ILE 111 H ILE 111 -1.849 1.808 -9.023 877 HA ILE 111 HA ILE 111 0.495 0.963 -7.597 878 HB ILE 111 HB ILE 111 0.507 2.490 -10.209 879 HG12 ILE 111 HG12 ILE 111 -0.990 0.500 -10.395 880 HG13 ILE 111 HG13 ILE 111 0.426 0.407 -11.432 881 HG21 ILE 111 HG21 ILE 111 2.630 1.297 -10.596 882 HG22 ILE 111 HG22 ILE 111 2.476 0.535 -9.013 883 HG23 ILE 111 HG23 ILE 111 2.680 2.282 -9.132 884 HD11 ILE 111 HD11 ILE 111 1.483 -1.124 -9.854 885 HD12 ILE 111 HD12 ILE 111 -0.075 -1.738 -10.411 886 HD13 ILE 111 HD13 ILE 111 0.067 -1.020 -8.806 887 H LYS 112 H LYS 112 -0.851 4.104 -8.626 888 HA LYS 112 HA LYS 112 1.461 5.630 -7.952 889 HB2 LYS 112 HB2 LYS 112 -1.390 6.485 -8.411 890 HB3 LYS 112 HB3 LYS 112 -0.056 7.603 -8.168 891 HG2 LYS 112 HG2 LYS 112 1.044 6.610 -10.159 892 HG3 LYS 112 HG3 LYS 112 -0.423 5.665 -10.428 893 HD2 LYS 112 HD2 LYS 112 -1.704 7.770 -10.535 894 HD3 LYS 112 HD3 LYS 112 -0.184 8.661 -10.378 895 HE2 LYS 112 HE2 LYS 112 0.626 7.783 -12.437 896 HE3 LYS 112 HE3 LYS 112 -0.728 6.659 -12.557 897 HZ1 LYS 112 HZ1 LYS 112 -2.217 8.557 -12.761 898 HZ2 LYS 112 HZ2 LYS 112 -1.057 8.547 -13.995 899 HZ3 LYS 112 HZ3 LYS 112 -0.898 9.617 -12.690 900 H LYS 113 H LYS 113 -1.549 4.938 -6.203 901 HA LYS 113 HA LYS 113 -0.968 6.690 -4.036 902 HB2 LYS 113 HB2 LYS 113 -2.758 5.537 -2.841 903 HB3 LYS 113 HB3 LYS 113 -3.250 5.939 -4.477 904 HG2 LYS 113 HG2 LYS 113 -2.800 3.600 -5.146 905 HG3 LYS 113 HG3 LYS 113 -2.412 3.226 -3.465 906 HD2 LYS 113 HD2 LYS 113 -4.694 3.980 -2.820 907 HD3 LYS 113 HD3 LYS 113 -5.066 4.214 -4.530 908 HE2 LYS 113 HE2 LYS 113 -4.531 1.810 -4.901 909 HE3 LYS 113 HE3 LYS 113 -4.361 1.627 -3.157 910 HZ1 LYS 113 HZ1 LYS 113 -6.560 0.976 -4.019 911 HZ2 LYS 113 HZ2 LYS 113 -6.831 2.581 -4.496 912 HZ3 LYS 113 HZ3 LYS 113 -6.639 2.203 -2.855 913 H LEU 114 H LEU 114 -0.126 3.407 -4.802 914 HA LEU 114 HA LEU 114 0.927 2.640 -2.302 915 HB2 LEU 114 HB2 LEU 114 0.350 0.916 -3.780 916 HB3 LEU 114 HB3 LEU 114 1.148 1.672 -5.134 917 HG LEU 114 HG LEU 114 2.885 0.648 -2.934 918 HD11 LEU 114 HD11 LEU 114 1.536 -1.099 -4.982 919 HD12 LEU 114 HD12 LEU 114 1.228 -1.124 -3.246 920 HD13 LEU 114 HD13 LEU 114 2.810 -1.595 -3.867 921 HD21 LEU 114 HD21 LEU 114 3.857 1.736 -4.876 922 HD22 LEU 114 HD22 LEU 114 3.019 0.606 -5.940 923 HD23 LEU 114 HD23 LEU 114 4.276 0.022 -4.848 924 H ILE 115 H ILE 115 2.281 4.403 -5.060 925 HA ILE 115 HA ILE 115 5.001 4.365 -4.143 926 HB ILE 115 HB ILE 115 3.932 6.564 -5.900 927 HG12 ILE 115 HG12 ILE 115 3.048 4.535 -6.921 928 HG13 ILE 115 HG13 ILE 115 4.349 5.198 -7.900 929 HG21 ILE 115 HG21 ILE 115 6.158 6.464 -6.907 930 HG22 ILE 115 HG22 ILE 115 6.587 5.135 -5.830 931 HG23 ILE 115 HG23 ILE 115 6.243 6.732 -5.164 932 HD11 ILE 115 HD11 ILE 115 4.458 2.786 -7.817 933 HD12 ILE 115 HD12 ILE 115 4.539 2.827 -6.055 934 HD13 ILE 115 HD13 ILE 115 5.862 3.490 -7.016 935 H SER 116 H SER 116 2.236 6.437 -3.627 936 HA SER 116 HA SER 116 3.572 8.609 -2.402 937 HB2 SER 116 HB2 SER 116 1.268 8.724 -3.320 938 HB3 SER 116 HB3 SER 116 0.715 7.678 -2.016 939 HG SER 116 HG SER 116 2.048 9.698 -0.926 940 H TRP 117 H TRP 117 2.193 5.586 -1.133 941 HA TRP 117 HA TRP 117 2.893 6.286 1.597 942 HB2 TRP 117 HB2 TRP 117 1.912 3.604 0.596 943 HB3 TRP 117 HB3 TRP 117 1.930 4.177 2.263 944 HD1 TRP 117 HD1 TRP 117 0.603 7.016 1.846 945 HE1 TRP 117 HE1 TRP 117 -1.876 7.205 1.183 946 HE3 TRP 117 HE3 TRP 117 -0.098 2.297 -0.040 947 HZ2 TRP 117 HZ2 TRP 117 -3.868 5.574 0.029 948 HZ3 TRP 117 HZ3 TRP 117 -2.319 1.699 -0.877 949 HH2 TRP 117 HH2 TRP 117 -4.163 3.298 -0.850 950 H TYR 118 H TYR 118 4.386 4.827 -1.058 951 HA TYR 118 HA TYR 118 6.023 2.800 -0.052 952 HB2 TYR 118 HB2 TYR 118 5.625 4.142 -2.459 953 HB3 TYR 118 HB3 TYR 118 7.306 4.447 -2.071 954 HD1 TYR 118 HD1 TYR 118 6.832 1.388 -0.627 955 HD2 TYR 118 HD2 TYR 118 6.933 3.213 -4.460 956 HE1 TYR 118 HE1 TYR 118 7.447 -0.770 -1.626 957 HE2 TYR 118 HE2 TYR 118 7.548 1.076 -5.479 958 HH TYR 118 HH TYR 118 7.390 -1.885 -3.772 959 H ASN 119 H ASN 119 6.542 6.242 -0.346 960 HA ASN 119 HA ASN 119 9.261 6.241 0.489 961 HB2 ASN 119 HB2 ASN 119 7.195 8.441 0.344 962 HB3 ASN 119 HB3 ASN 119 8.896 8.713 0.706 963 HD21 ASN 119 HD21 ASN 119 9.945 6.796 -1.107 964 HD22 ASN 119 HD22 ASN 119 9.684 7.395 -2.705 965 H ILE 120 H ILE 120 6.186 6.505 2.092 966 HA ILE 120 HA ILE 120 7.151 7.419 4.621 967 HB ILE 120 HB ILE 120 4.509 6.121 3.916 968 HG12 ILE 120 HG12 ILE 120 5.093 9.071 4.170 969 HG13 ILE 120 HG13 ILE 120 5.186 8.220 2.632 970 HG21 ILE 120 HG21 ILE 120 3.654 7.255 5.925 971 HG22 ILE 120 HG22 ILE 120 5.281 7.830 6.289 972 HG23 ILE 120 HG23 ILE 120 4.930 6.100 6.321 973 HD11 ILE 120 HD11 ILE 120 2.828 7.635 2.815 974 HD12 ILE 120 HD12 ILE 120 3.074 9.380 2.886 975 HD13 ILE 120 HD13 ILE 120 2.739 8.477 4.363 976 H LEU 121 H LEU 121 6.258 4.207 3.297 977 HA LEU 121 HA LEU 121 6.459 2.971 5.842 978 HB2 LEU 121 HB2 LEU 121 6.474 0.791 4.478 979 HB3 LEU 121 HB3 LEU 121 5.033 1.775 4.540 980 HG LEU 121 HG LEU 121 6.112 2.711 2.261 981 HD11 LEU 121 HD11 LEU 121 6.960 0.851 0.952 982 HD12 LEU 121 HD12 LEU 121 6.922 -0.183 2.381 983 HD13 LEU 121 HD13 LEU 121 8.019 1.198 2.321 984 HD21 LEU 121 HD21 LEU 121 3.848 1.913 2.574 985 HD22 LEU 121 HD22 LEU 121 4.417 0.244 2.585 986 HD23 LEU 121 HD23 LEU 121 4.553 1.212 1.118 987 H VAL 122 H VAL 122 8.776 3.138 3.137 988 HA VAL 122 HA VAL 122 10.740 1.608 4.546 989 HB VAL 122 HB VAL 122 11.277 3.564 2.289 990 HG11 VAL 122 HG11 VAL 122 13.294 2.794 3.431 991 HG12 VAL 122 HG12 VAL 122 13.194 2.129 1.800 992 HG13 VAL 122 HG13 VAL 122 12.798 1.117 3.189 993 HG21 VAL 122 HG21 VAL 122 11.035 1.680 0.762 994 HG22 VAL 122 HG22 VAL 122 9.534 1.983 1.637 995 HG23 VAL 122 HG23 VAL 122 10.573 0.639 2.109 996 H ASN 123 H ASN 123 9.829 4.985 4.578 997 HA ASN 123 HA ASN 123 12.081 6.100 5.863 998 HB2 ASN 123 HB2 ASN 123 9.431 6.953 5.216 999 HB3 ASN 123 HB3 ASN 123 9.769 7.363 6.893 1000 HD21 ASN 123 HD21 ASN 123 10.565 7.964 3.589 1001 HD22 ASN 123 HD22 ASN 123 11.574 9.345 3.868 1002 H ASN 124 H ASN 124 9.324 4.349 7.077 1003 HA ASN 124 HA ASN 124 10.183 4.765 9.847 1004 HB2 ASN 124 HB2 ASN 124 7.703 3.318 8.896 1005 HB3 ASN 124 HB3 ASN 124 8.019 3.961 10.500 1006 HD21 ASN 124 HD21 ASN 124 5.776 4.417 8.768 1007 HD22 ASN 124 HD22 ASN 124 5.707 6.114 8.465 1008 H GLY 125 H GLY 125 11.014 2.751 7.478 1009 HA2 GLY 125 HA2 GLY 125 12.157 0.711 7.580 1010 HA3 GLY 125 HA3 GLY 125 11.572 0.494 9.225 1011 H ILE 126 H ILE 126 9.382 -0.052 9.521 1012 HA ILE 126 HA ILE 126 7.711 -1.528 9.406 1013 HB ILE 126 HB ILE 126 7.271 -0.326 6.662 1014 HG12 ILE 126 HG12 ILE 126 6.327 0.512 9.422 1015 HG13 ILE 126 HG13 ILE 126 7.437 1.398 8.382 1016 HG21 ILE 126 HG21 ILE 126 5.974 -2.379 7.018 1017 HG22 ILE 126 HG22 ILE 126 4.920 -0.963 7.023 1018 HG23 ILE 126 HG23 ILE 126 5.360 -1.741 8.544 1019 HD11 ILE 126 HD11 ILE 126 4.521 0.891 7.810 1020 HD12 ILE 126 HD12 ILE 126 5.636 1.804 6.791 1021 HD13 ILE 126 HD13 ILE 126 5.221 2.399 8.399 1022 H THR 127 H THR 127 8.486 -3.474 9.591 1023 HA THR 127 HA THR 127 9.252 -4.948 7.167 1024 HB THR 127 HB THR 127 10.261 -6.609 8.736 1025 HG1 THR 127 HG1 THR 127 9.563 -4.627 10.678 1026 HG21 THR 127 HG21 THR 127 11.635 -4.885 7.718 1027 HG22 THR 127 HG22 THR 127 12.174 -5.198 9.368 1028 HG23 THR 127 HG23 THR 127 11.212 -3.761 9.015 1029 H GLU 128 H GLU 128 6.530 -4.361 7.948 1030 HA GLU 128 HA GLU 128 5.409 -6.833 9.002 1031 HB2 GLU 128 HB2 GLU 128 4.147 -4.180 8.299 1032 HB3 GLU 128 HB3 GLU 128 3.296 -5.534 9.033 1033 HG2 GLU 128 HG2 GLU 128 4.463 -5.340 11.038 1034 HG3 GLU 128 HG3 GLU 128 5.727 -4.348 10.318 1035 H PHE 129 H PHE 129 6.491 -6.164 6.151 1036 HA PHE 129 HA PHE 129 4.629 -7.925 4.803 1037 HB2 PHE 129 HB2 PHE 129 4.460 -6.478 2.814 1038 HB3 PHE 129 HB3 PHE 129 3.733 -5.737 4.229 1039 HD1 PHE 129 HD1 PHE 129 4.768 -3.760 5.262 1040 HD2 PHE 129 HD2 PHE 129 6.389 -5.521 1.751 1041 HE1 PHE 129 HE1 PHE 129 6.092 -1.734 4.853 1042 HE2 PHE 129 HE2 PHE 129 7.721 -3.503 1.350 1043 HZ PHE 129 HZ PHE 129 7.573 -1.609 2.900 1044 H VAL 130 H VAL 130 7.700 -7.003 5.558 1045 HA VAL 130 HA VAL 130 8.975 -7.771 3.056 1046 HB VAL 130 HB VAL 130 10.454 -7.019 5.580 1047 HG11 VAL 130 HG11 VAL 130 12.136 -6.174 4.005 1048 HG12 VAL 130 HG12 VAL 130 11.115 -6.674 2.657 1049 HG13 VAL 130 HG13 VAL 130 11.791 -7.886 3.747 1050 HG21 VAL 130 HG21 VAL 130 9.314 -5.070 3.582 1051 HG22 VAL 130 HG22 VAL 130 10.452 -4.671 4.869 1052 HG23 VAL 130 HG23 VAL 130 8.831 -5.242 5.271 1053 H GLU 131 H GLU 131 9.929 -9.701 2.741 1054 HA GLU 131 HA GLU 131 9.482 -11.848 4.543 1055 HB2 GLU 131 HB2 GLU 131 10.822 -13.185 2.901 1056 HB3 GLU 131 HB3 GLU 131 9.464 -12.323 2.199 1057 HG2 GLU 131 HG2 GLU 131 10.971 -10.619 1.336 1058 HG3 GLU 131 HG3 GLU 131 12.342 -11.437 2.086 1059 H ALA 132 H ALA 132 12.244 -9.801 3.921 1060 HA ALA 132 HA ALA 132 13.825 -11.286 5.910 1061 HB1 ALA 132 HB1 ALA 132 15.774 -10.121 4.952 1062 HB2 ALA 132 HB2 ALA 132 14.712 -9.286 3.817 1063 HB3 ALA 132 HB3 ALA 132 14.904 -11.036 3.719 1064 HA PRO 133 HA PRO 133 13.431 -7.698 8.650 1065 HB2 PRO 133 HB2 PRO 133 16.214 -8.206 9.493 1066 HB3 PRO 133 HB3 PRO 133 14.734 -8.188 10.455 1067 HG2 PRO 133 HG2 PRO 133 15.995 -10.477 9.909 1068 HG3 PRO 133 HG3 PRO 133 14.223 -10.392 9.950 1069 HD2 PRO 133 HD2 PRO 133 16.067 -10.392 7.587 1070 HD3 PRO 133 HD3 PRO 133 14.541 -11.274 7.822 1071 H ALA 134 H ALA 134 13.639 -5.637 8.069 1072 HA ALA 134 HA ALA 134 15.821 -4.858 6.281 1073 HB1 ALA 134 HB1 ALA 134 14.430 -2.925 5.716 1074 HB2 ALA 134 HB2 ALA 134 13.236 -3.435 6.907 1075 HB3 ALA 134 HB3 ALA 134 13.547 -4.437 5.489 1076 H LEU 135 H LEU 135 15.996 -2.212 6.587 1077 HA LEU 135 HA LEU 135 17.221 -0.628 7.589 1078 HB2 LEU 135 HB2 LEU 135 16.071 -1.662 10.183 1079 HB3 LEU 135 HB3 LEU 135 16.912 -0.140 9.972 1080 HG LEU 135 HG LEU 135 14.273 -0.857 8.681 1081 HD11 LEU 135 HD11 LEU 135 14.069 -0.599 11.089 1082 HD12 LEU 135 HD12 LEU 135 13.319 0.755 10.245 1083 HD13 LEU 135 HD13 LEU 135 14.898 0.956 11.006 1084 HD21 LEU 135 HD21 LEU 135 14.180 1.489 8.038 1085 HD22 LEU 135 HD22 LEU 135 15.612 0.721 7.350 1086 HD23 LEU 135 HD23 LEU 135 15.764 1.769 8.760 1087 H GLU 136 H GLU 136 17.846 -2.169 10.601 1088 HA GLU 136 HA GLU 136 19.892 -3.857 9.474 1089 HB2 GLU 136 HB2 GLU 136 21.632 -3.138 11.086 1090 HB3 GLU 136 HB3 GLU 136 21.235 -1.919 9.894 1091 HG2 GLU 136 HG2 GLU 136 21.216 -0.520 11.633 1092 HG3 GLU 136 HG3 GLU 136 19.634 -1.208 11.996 1093 H HIS 137 H HIS 137 19.419 -5.734 10.112 1094 HA HIS 137 HA HIS 137 19.089 -6.230 12.964 1095 HB2 HIS 137 HB2 HIS 137 16.796 -6.113 11.841 1096 HB3 HIS 137 HB3 HIS 137 17.264 -7.551 10.944 1097 HD1 HIS 137 HD1 HIS 137 16.656 -6.414 14.510 1098 HD2 HIS 137 HD2 HIS 137 16.846 -9.916 12.271 1099 HE1 HIS 137 HE1 HIS 137 15.845 -8.239 16.037 1100 HE2 HIS 137 HE2 HIS 137 15.754 -10.299 14.592 1101 H HIS 138 H HIS 138 21.118 -7.005 12.991 1102 HA HIS 138 HA HIS 138 21.604 -9.471 11.485 1103 HB2 HIS 138 HB2 HIS 138 24.021 -8.734 11.229 1104 HB3 HIS 138 HB3 HIS 138 22.853 -7.920 10.204 1105 HD1 HIS 138 HD1 HIS 138 22.634 -5.406 10.444 1106 HD2 HIS 138 HD2 HIS 138 25.202 -7.084 13.253 1107 HE1 HIS 138 HE1 HIS 138 23.804 -3.467 11.533 1108 HE2 HIS 138 HE2 HIS 138 25.251 -4.492 13.321 1109 H HIS 139 H HIS 139 22.669 -11.040 12.506 1110 HA HIS 139 HA HIS 139 23.560 -10.528 15.268 1111 HB2 HIS 139 HB2 HIS 139 21.626 -12.628 14.313 1112 HB3 HIS 139 HB3 HIS 139 22.593 -12.899 15.754 1113 HD1 HIS 139 HD1 HIS 139 21.809 -11.844 17.883 1114 HD2 HIS 139 HD2 HIS 139 19.731 -10.460 14.558 1115 HE1 HIS 139 HE1 HIS 139 19.899 -10.489 18.795 1116 HE2 HIS 139 HE2 HIS 139 18.837 -9.446 16.769 1117 H HIS 140 H HIS 140 23.697 -12.614 12.413 1118 HA HIS 140 HA HIS 140 24.970 -14.334 11.738 1119 HB2 HIS 140 HB2 HIS 140 27.011 -12.902 13.392 1120 HB3 HIS 140 HB3 HIS 140 27.372 -14.506 12.768 1121 HD1 HIS 140 HD1 HIS 140 28.285 -11.339 11.967 1122 HD2 HIS 140 HD2 HIS 140 26.383 -14.278 9.724 1123 HE1 HIS 140 HE1 HIS 140 28.778 -10.775 9.565 1124 HE2 HIS 140 HE2 HIS 140 27.616 -12.561 8.219 1125 H HIS 141 H HIS 141 24.299 -16.235 12.210 1126 HA HIS 141 HA HIS 141 23.604 -16.973 14.883 1127 HB2 HIS 141 HB2 HIS 141 22.510 -17.610 12.552 1128 HB3 HIS 141 HB3 HIS 141 23.614 -18.977 12.661 1129 HD1 HIS 141 HD1 HIS 141 22.890 -20.909 14.107 1130 HD2 HIS 141 HD2 HIS 141 20.617 -17.487 14.753 1131 HE1 HIS 141 HE1 HIS 141 20.999 -21.625 15.602 1132 HE2 HIS 141 HE2 HIS 141 19.531 -19.595 15.805 1133 H HIS 142 H HIS 142 26.077 -18.066 12.563 1134 HA HIS 142 HA HIS 142 27.856 -18.681 14.746 1135 HB2 HIS 142 HB2 HIS 142 26.450 -20.802 14.345 1136 HB3 HIS 142 HB3 HIS 142 27.313 -20.941 12.817 1137 HD1 HIS 142 HD1 HIS 142 29.235 -22.473 12.974 1138 HD2 HIS 142 HD2 HIS 142 28.515 -20.532 16.579 1139 HE1 HIS 142 HE1 HIS 142 30.959 -23.368 14.576 1140 HE2 HIS 142 HE2 HIS 142 30.597 -22.068 16.705 Start of MODEL 20 1 H1 MET 1 H1 MET 1 1.720 -8.614 10.796 2 H2 MET 1 H2 MET 1 0.142 -9.227 10.872 3 H3 MET 1 H3 MET 1 0.399 -7.557 10.820 4 HA MET 1 HA MET 1 1.256 -7.689 8.598 5 HB2 MET 1 HB2 MET 1 1.998 -10.187 9.222 6 HB3 MET 1 HB3 MET 1 0.483 -10.570 8.422 7 HG2 MET 1 HG2 MET 1 2.658 -8.927 7.166 8 HG3 MET 1 HG3 MET 1 2.530 -10.672 6.993 9 HE1 MET 1 HE1 MET 1 0.757 -11.900 5.553 10 HE2 MET 1 HE2 MET 1 -0.693 -11.131 4.906 11 HE3 MET 1 HE3 MET 1 -0.476 -11.279 6.651 12 H LEU 2 H LEU 2 -0.271 -6.823 7.382 13 HA LEU 2 HA LEU 2 -2.225 -6.150 6.509 14 HB2 LEU 2 HB2 LEU 2 -3.190 -8.905 7.243 15 HB3 LEU 2 HB3 LEU 2 -4.190 -7.726 6.418 16 HG LEU 2 HG LEU 2 -1.609 -8.878 5.346 17 HD11 LEU 2 HD11 LEU 2 -3.407 -10.531 5.428 18 HD12 LEU 2 HD12 LEU 2 -3.047 -10.061 3.767 19 HD13 LEU 2 HD13 LEU 2 -4.476 -9.417 4.576 20 HD21 LEU 2 HD21 LEU 2 -3.654 -7.068 4.072 21 HD22 LEU 2 HD22 LEU 2 -2.267 -7.791 3.254 22 HD23 LEU 2 HD23 LEU 2 -2.017 -6.618 4.548 23 H LYS 3 H LYS 3 -4.338 -5.394 6.988 24 HA LYS 3 HA LYS 3 -6.069 -4.558 8.152 25 HB2 LYS 3 HB2 LYS 3 -5.120 -6.357 10.365 26 HB3 LYS 3 HB3 LYS 3 -6.514 -5.299 10.526 27 HG2 LYS 3 HG2 LYS 3 -7.565 -6.454 8.617 28 HG3 LYS 3 HG3 LYS 3 -6.180 -7.550 8.557 29 HD2 LYS 3 HD2 LYS 3 -6.659 -8.346 10.784 30 HD3 LYS 3 HD3 LYS 3 -7.963 -7.172 10.963 31 HE2 LYS 3 HE2 LYS 3 -9.161 -8.237 9.118 32 HE3 LYS 3 HE3 LYS 3 -7.866 -9.423 8.964 33 HZ1 LYS 3 HZ1 LYS 3 -9.780 -10.242 10.230 34 HZ2 LYS 3 HZ2 LYS 3 -9.526 -9.034 11.391 35 HZ3 LYS 3 HZ3 LYS 3 -8.356 -10.238 11.150 36 H THR 4 H THR 4 -2.926 -4.333 9.581 37 HA THR 4 HA THR 4 -3.741 -2.489 11.652 38 HB THR 4 HB THR 4 -0.892 -3.229 10.958 39 HG1 THR 4 HG1 THR 4 -2.944 -4.804 11.911 40 HG21 THR 4 HG21 THR 4 -1.196 -1.441 12.616 41 HG22 THR 4 HG22 THR 4 -0.542 -2.897 13.371 42 HG23 THR 4 HG23 THR 4 -2.249 -2.488 13.561 43 H ILE 5 H ILE 5 -1.915 -2.303 8.618 44 HA ILE 5 HA ILE 5 -1.382 0.503 9.022 45 HB ILE 5 HB ILE 5 -0.807 -1.369 6.730 46 HG12 ILE 5 HG12 ILE 5 0.663 -1.562 8.655 47 HG13 ILE 5 HG13 ILE 5 1.539 -0.878 7.293 48 HG21 ILE 5 HG21 ILE 5 0.404 0.443 5.600 49 HG22 ILE 5 HG22 ILE 5 -0.224 1.591 6.783 50 HG23 ILE 5 HG23 ILE 5 -1.331 0.753 5.693 51 HD11 ILE 5 HD11 ILE 5 1.318 1.352 8.282 52 HD12 ILE 5 HD12 ILE 5 2.146 0.225 9.358 53 HD13 ILE 5 HD13 ILE 5 0.459 0.648 9.654 54 H LEU 6 H LEU 6 -2.728 2.037 8.615 55 HA LEU 6 HA LEU 6 -5.009 1.575 6.836 56 HB2 LEU 6 HB2 LEU 6 -4.532 3.754 8.873 57 HB3 LEU 6 HB3 LEU 6 -5.949 3.626 7.857 58 HG LEU 6 HG LEU 6 -5.149 1.825 10.135 59 HD11 LEU 6 HD11 LEU 6 -7.285 2.567 11.045 60 HD12 LEU 6 HD12 LEU 6 -7.555 3.561 9.613 61 HD13 LEU 6 HD13 LEU 6 -6.223 3.934 10.708 62 HD21 LEU 6 HD21 LEU 6 -7.447 1.466 8.209 63 HD22 LEU 6 HD22 LEU 6 -7.157 0.519 9.668 64 HD23 LEU 6 HD23 LEU 6 -6.025 0.430 8.318 65 H SER 7 H SER 7 -5.209 2.644 5.024 66 HA SER 7 HA SER 7 -3.177 4.518 4.147 67 HB2 SER 7 HB2 SER 7 -5.643 3.435 2.736 68 HB3 SER 7 HB3 SER 7 -4.315 4.318 1.981 69 HG SER 7 HG SER 7 -2.992 2.606 2.270 70 H ILE 8 H ILE 8 -3.422 6.490 4.877 71 HA ILE 8 HA ILE 8 -6.112 7.589 5.367 72 HB ILE 8 HB ILE 8 -3.447 8.146 6.706 73 HG12 ILE 8 HG12 ILE 8 -4.541 6.028 7.364 74 HG13 ILE 8 HG13 ILE 8 -4.428 7.164 8.699 75 HG21 ILE 8 HG21 ILE 8 -6.117 9.431 7.320 76 HG22 ILE 8 HG22 ILE 8 -4.723 10.228 6.591 77 HG23 ILE 8 HG23 ILE 8 -4.632 9.642 8.253 78 HD11 ILE 8 HD11 ILE 8 -6.793 7.724 8.407 79 HD12 ILE 8 HD12 ILE 8 -6.548 6.006 8.725 80 HD13 ILE 8 HD13 ILE 8 -6.897 6.560 7.085 81 H ALA 9 H ALA 9 -6.666 9.513 4.412 82 HA ALA 9 HA ALA 9 -4.622 10.799 2.743 83 HB1 ALA 9 HB1 ALA 9 -7.617 11.126 2.634 84 HB2 ALA 9 HB2 ALA 9 -6.655 10.102 1.566 85 HB3 ALA 9 HB3 ALA 9 -6.445 11.853 1.534 86 H GLY 10 H GLY 10 -3.553 12.119 4.035 87 HA2 GLY 10 HA2 GLY 10 -4.867 14.512 4.965 88 HA3 GLY 10 HA3 GLY 10 -4.234 13.501 6.259 89 H LYS 11 H LYS 11 -2.202 13.838 6.864 90 HA LYS 11 HA LYS 11 -0.434 15.222 4.968 91 HB2 LYS 11 HB2 LYS 11 -0.662 15.572 7.937 92 HB3 LYS 11 HB3 LYS 11 0.789 16.051 7.069 93 HG2 LYS 11 HG2 LYS 11 -0.437 17.614 5.747 94 HG3 LYS 11 HG3 LYS 11 -1.970 17.033 6.401 95 HD2 LYS 11 HD2 LYS 11 -1.408 17.859 8.586 96 HD3 LYS 11 HD3 LYS 11 0.213 18.303 8.046 97 HE2 LYS 11 HE2 LYS 11 -1.283 20.248 8.163 98 HE3 LYS 11 HE3 LYS 11 -0.713 19.947 6.524 99 HZ1 LYS 11 HZ1 LYS 11 -3.061 20.471 6.556 100 HZ2 LYS 11 HZ2 LYS 11 -3.369 19.177 7.603 101 HZ3 LYS 11 HZ3 LYS 11 -2.824 18.879 6.026 102 HA PRO 12 HA PRO 12 2.515 11.985 7.162 103 HB2 PRO 12 HB2 PRO 12 0.503 10.170 8.402 104 HB3 PRO 12 HB3 PRO 12 2.108 10.640 8.982 105 HG2 PRO 12 HG2 PRO 12 -0.025 11.675 10.122 106 HG3 PRO 12 HG3 PRO 12 1.355 12.725 9.740 107 HD2 PRO 12 HD2 PRO 12 -1.210 12.352 8.235 108 HD3 PRO 12 HD3 PRO 12 -0.390 13.863 8.691 109 H GLY 13 H GLY 13 -0.532 10.159 6.745 110 HA2 GLY 13 HA2 GLY 13 -1.049 9.535 4.369 111 HA3 GLY 13 HA3 GLY 13 0.629 9.024 4.285 112 H LEU 14 H LEU 14 0.841 7.708 6.768 113 HA LEU 14 HA LEU 14 -1.203 5.609 6.560 114 HB2 LEU 14 HB2 LEU 14 1.775 5.171 6.811 115 HB3 LEU 14 HB3 LEU 14 0.565 3.914 6.972 116 HG LEU 14 HG LEU 14 0.992 5.522 4.452 117 HD11 LEU 14 HD11 LEU 14 2.092 3.529 3.596 118 HD12 LEU 14 HD12 LEU 14 1.956 2.776 5.185 119 HD13 LEU 14 HD13 LEU 14 2.956 4.213 4.972 120 HD21 LEU 14 HD21 LEU 14 -0.549 2.983 4.969 121 HD22 LEU 14 HD22 LEU 14 -0.326 3.763 3.402 122 HD23 LEU 14 HD23 LEU 14 -1.250 4.573 4.667 123 H TYR 15 H TYR 15 -1.730 4.555 8.417 124 HA TYR 15 HA TYR 15 -0.514 5.437 10.939 125 HB2 TYR 15 HB2 TYR 15 -3.422 5.601 10.165 126 HB3 TYR 15 HB3 TYR 15 -2.960 5.401 11.848 127 HD1 TYR 15 HD2 TYR 15 -2.565 7.684 8.924 128 HD2 TYR 15 HD1 TYR 15 -2.351 7.255 13.140 129 HE1 TYR 15 HE2 TYR 15 -2.337 10.115 9.151 130 HE2 TYR 15 HE1 TYR 15 -2.130 9.685 13.378 131 HH TYR 15 HH TYR 15 -1.425 11.606 12.071 132 H LYS 16 H LYS 16 -1.089 3.970 12.755 133 HA LYS 16 HA LYS 16 -1.705 1.242 11.816 134 HB2 LYS 16 HB2 LYS 16 0.035 2.246 14.055 135 HB3 LYS 16 HB3 LYS 16 -0.622 0.615 14.091 136 HG2 LYS 16 HG2 LYS 16 0.484 0.091 12.003 137 HG3 LYS 16 HG3 LYS 16 1.089 1.743 11.886 138 HD2 LYS 16 HD2 LYS 16 2.851 0.325 12.701 139 HD3 LYS 16 HD3 LYS 16 2.327 1.383 14.013 140 HE2 LYS 16 HE2 LYS 16 0.968 -0.437 14.930 141 HE3 LYS 16 HE3 LYS 16 1.492 -1.489 13.615 142 HZ1 LYS 16 HZ1 LYS 16 2.739 -1.860 15.664 143 HZ2 LYS 16 HZ2 LYS 16 3.287 -0.259 15.632 144 HZ3 LYS 16 HZ3 LYS 16 3.748 -1.335 14.410 145 H LEU 17 H LEU 17 -3.597 0.475 12.360 146 HA LEU 17 HA LEU 17 -5.322 1.879 14.201 147 HB2 LEU 17 HB2 LEU 17 -5.753 0.303 11.990 148 HB3 LEU 17 HB3 LEU 17 -6.170 -0.786 13.294 149 HG LEU 17 HG LEU 17 -7.440 1.906 12.746 150 HD11 LEU 17 HD11 LEU 17 -8.099 0.204 11.155 151 HD12 LEU 17 HD12 LEU 17 -9.433 0.583 12.243 152 HD13 LEU 17 HD13 LEU 17 -8.506 -0.898 12.472 153 HD21 LEU 17 HD21 LEU 17 -8.124 -0.115 14.877 154 HD22 LEU 17 HD22 LEU 17 -9.031 1.352 14.508 155 HD23 LEU 17 HD23 LEU 17 -7.391 1.465 15.148 156 H ILE 18 H ILE 18 -5.073 1.642 16.282 157 HA ILE 18 HA ILE 18 -3.922 -0.783 17.415 158 HB ILE 18 HB ILE 18 -4.744 1.762 18.850 159 HG12 ILE 18 HG12 ILE 18 -1.960 1.019 17.913 160 HG13 ILE 18 HG13 ILE 18 -3.019 2.110 17.027 161 HG21 ILE 18 HG21 ILE 18 -3.193 0.984 20.595 162 HG22 ILE 18 HG22 ILE 18 -2.889 -0.483 19.664 163 HG23 ILE 18 HG23 ILE 18 -4.497 -0.171 20.318 164 HD11 ILE 18 HD11 ILE 18 -1.991 2.545 19.823 165 HD12 ILE 18 HD12 ILE 18 -3.029 3.647 18.916 166 HD13 ILE 18 HD13 ILE 18 -1.387 3.322 18.360 167 H SER 19 H SER 19 -6.723 1.309 18.099 168 HA SER 19 HA SER 19 -8.389 -1.017 18.655 169 HB2 SER 19 HB2 SER 19 -7.990 1.235 20.658 170 HB3 SER 19 HB3 SER 19 -9.164 -0.069 20.813 171 HG SER 19 HG SER 19 -6.841 -1.221 20.399 172 H GLN 20 H GLN 20 -10.720 -0.331 18.848 173 HA GLN 20 HA GLN 20 -11.191 2.221 17.453 174 HB2 GLN 20 HB2 GLN 20 -11.514 0.351 15.897 175 HB3 GLN 20 HB3 GLN 20 -12.659 -0.390 17.002 176 HG2 GLN 20 HG2 GLN 20 -14.175 1.493 16.709 177 HG3 GLN 20 HG3 GLN 20 -13.017 2.264 15.631 178 HE21 GLN 20 HE21 GLN 20 -12.754 1.499 13.573 179 HE22 GLN 20 HE22 GLN 20 -13.865 0.398 12.834 180 H GLY 21 H GLY 21 -12.624 3.545 18.351 181 HA2 GLY 21 HA2 GLY 21 -14.272 2.490 20.564 182 HA3 GLY 21 HA3 GLY 21 -13.721 4.152 20.437 183 H LYS 22 H LYS 22 -15.980 4.685 20.770 184 HA LYS 22 HA LYS 22 -17.874 4.081 18.674 185 HB2 LYS 22 HB2 LYS 22 -18.035 6.016 21.002 186 HB3 LYS 22 HB3 LYS 22 -19.370 5.627 19.926 187 HG2 LYS 22 HG2 LYS 22 -19.273 3.302 20.643 188 HG3 LYS 22 HG3 LYS 22 -17.942 3.691 21.733 189 HD2 LYS 22 HD2 LYS 22 -19.389 5.208 22.972 190 HD3 LYS 22 HD3 LYS 22 -20.721 4.858 21.865 191 HE2 LYS 22 HE2 LYS 22 -20.661 2.509 22.534 192 HE3 LYS 22 HE3 LYS 22 -19.316 2.851 23.622 193 HZ1 LYS 22 HZ1 LYS 22 -20.751 4.291 24.905 194 HZ2 LYS 22 HZ2 LYS 22 -21.431 2.744 24.787 195 HZ3 LYS 22 HZ3 LYS 22 -22.038 4.011 23.841 196 H ASN 23 H ASN 23 -17.741 4.987 16.770 197 HA ASN 23 HA ASN 23 -17.723 6.482 15.063 198 HB2 ASN 23 HB2 ASN 23 -18.892 8.079 16.642 199 HB3 ASN 23 HB3 ASN 23 -17.319 8.731 17.044 200 HD21 ASN 23 HD21 ASN 23 -17.643 10.742 16.280 201 HD22 ASN 23 HD22 ASN 23 -17.854 11.113 14.603 202 H MET 24 H MET 24 -15.459 7.700 17.469 203 HA MET 24 HA MET 24 -13.333 8.055 15.524 204 HB2 MET 24 HB2 MET 24 -13.724 9.792 17.165 205 HB3 MET 24 HB3 MET 24 -13.649 8.632 18.480 206 HG2 MET 24 HG2 MET 24 -11.206 8.339 17.278 207 HG3 MET 24 HG3 MET 24 -11.518 10.069 17.116 208 HE1 MET 24 HE1 MET 24 -12.707 7.563 19.881 209 HE2 MET 24 HE2 MET 24 -11.464 7.787 21.117 210 HE3 MET 24 HE3 MET 24 -11.039 7.064 19.563 211 H LEU 25 H LEU 25 -11.518 6.768 15.433 212 HA LEU 25 HA LEU 25 -11.311 4.678 17.458 213 HB2 LEU 25 HB2 LEU 25 -9.915 3.374 15.787 214 HB3 LEU 25 HB3 LEU 25 -11.639 3.394 15.570 215 HG LEU 25 HG LEU 25 -10.335 3.393 13.464 216 HD11 LEU 25 HD11 LEU 25 -12.045 5.820 13.866 217 HD12 LEU 25 HD12 LEU 25 -12.589 4.201 13.431 218 HD13 LEU 25 HD13 LEU 25 -11.594 5.127 12.306 219 HD21 LEU 25 HD21 LEU 25 -9.256 5.443 12.681 220 HD22 LEU 25 HD22 LEU 25 -8.444 4.737 14.079 221 HD23 LEU 25 HD23 LEU 25 -9.477 6.151 14.283 222 H ILE 26 H ILE 26 -8.897 3.797 17.287 223 HA ILE 26 HA ILE 26 -7.252 6.121 18.045 224 HB ILE 26 HB ILE 26 -7.465 3.385 19.306 225 HG12 ILE 26 HG12 ILE 26 -9.211 4.910 20.020 226 HG13 ILE 26 HG13 ILE 26 -8.093 4.632 21.349 227 HG21 ILE 26 HG21 ILE 26 -5.110 3.993 19.280 228 HG22 ILE 26 HG22 ILE 26 -5.741 4.080 20.925 229 HG23 ILE 26 HG23 ILE 26 -5.484 5.560 20.001 230 HD11 ILE 26 HD11 ILE 26 -8.761 6.958 21.254 231 HD12 ILE 26 HD12 ILE 26 -8.197 7.076 19.587 232 HD13 ILE 26 HD13 ILE 26 -7.041 6.807 20.893 233 H VAL 27 H VAL 27 -5.629 6.363 16.661 234 HA VAL 27 HA VAL 27 -4.268 3.965 15.642 235 HB VAL 27 HB VAL 27 -3.750 5.321 13.540 236 HG11 VAL 27 HG11 VAL 27 -5.283 3.437 13.539 237 HG12 VAL 27 HG12 VAL 27 -5.855 4.712 12.462 238 HG13 VAL 27 HG13 VAL 27 -6.599 4.497 14.047 239 HG21 VAL 27 HG21 VAL 27 -4.447 7.509 14.354 240 HG22 VAL 27 HG22 VAL 27 -6.102 6.928 14.522 241 HG23 VAL 27 HG23 VAL 27 -5.368 7.048 12.922 242 H GLU 28 H GLU 28 -2.021 4.263 15.124 243 HA GLU 28 HA GLU 28 -0.793 6.614 16.414 244 HB2 GLU 28 HB2 GLU 28 -0.308 4.468 17.540 245 HB3 GLU 28 HB3 GLU 28 0.333 3.825 16.035 246 HG2 GLU 28 HG2 GLU 28 2.117 5.514 16.088 247 HG3 GLU 28 HG3 GLU 28 1.478 6.132 17.614 248 H THR 29 H THR 29 0.490 7.856 15.177 249 HA THR 29 HA THR 29 0.606 7.524 12.370 250 HB THR 29 HB THR 29 2.492 9.305 13.904 251 HG1 THR 29 HG1 THR 29 0.285 9.550 14.706 252 HG21 THR 29 HG21 THR 29 2.160 10.771 11.979 253 HG22 THR 29 HG22 THR 29 1.024 9.612 11.285 254 HG23 THR 29 HG23 THR 29 2.724 9.179 11.474 255 H VAL 30 H VAL 30 2.003 6.384 11.175 256 HA VAL 30 HA VAL 30 4.122 4.936 12.446 257 HB VAL 30 HB VAL 30 4.530 3.918 10.272 258 HG11 VAL 30 HG11 VAL 30 1.595 4.147 10.898 259 HG12 VAL 30 HG12 VAL 30 2.737 3.017 11.627 260 HG13 VAL 30 HG13 VAL 30 2.342 2.889 9.913 261 HG21 VAL 30 HG21 VAL 30 3.208 4.477 8.306 262 HG22 VAL 30 HG22 VAL 30 4.190 5.848 8.822 263 HG23 VAL 30 HG23 VAL 30 2.462 5.819 9.180 264 H ASP 31 H ASP 31 3.841 7.889 10.762 265 HA ASP 31 HA ASP 31 6.759 8.184 10.477 266 HB2 ASP 31 HB2 ASP 31 4.985 8.280 8.449 267 HB3 ASP 31 HB3 ASP 31 4.822 9.938 9.019 268 H ALA 32 H ALA 32 6.673 10.989 10.151 269 HA ALA 32 HA ALA 32 6.410 13.019 11.035 270 HB1 ALA 32 HB1 ALA 32 4.336 13.669 12.084 271 HB2 ALA 32 HB2 ALA 32 3.928 11.979 12.377 272 HB3 ALA 32 HB3 ALA 32 4.011 12.589 10.724 273 H ALA 33 H ALA 33 5.044 11.404 13.910 274 HA ALA 33 HA ALA 33 7.409 12.175 15.452 275 HB1 ALA 33 HB1 ALA 33 4.558 12.938 16.123 276 HB2 ALA 33 HB2 ALA 33 5.812 14.036 15.544 277 HB3 ALA 33 HB3 ALA 33 5.983 13.257 17.115 278 H LYS 34 H LYS 34 5.751 9.712 14.498 279 HA LYS 34 HA LYS 34 4.613 7.849 15.198 280 HB2 LYS 34 HB2 LYS 34 6.967 8.082 17.023 281 HB3 LYS 34 HB3 LYS 34 5.807 6.797 17.298 282 HG2 LYS 34 HG2 LYS 34 7.549 5.876 16.008 283 HG3 LYS 34 HG3 LYS 34 6.185 6.086 14.915 284 HD2 LYS 34 HD2 LYS 34 7.192 8.105 14.015 285 HD3 LYS 34 HD3 LYS 34 8.527 7.967 15.162 286 HE2 LYS 34 HE2 LYS 34 7.854 5.888 13.082 287 HE3 LYS 34 HE3 LYS 34 9.071 7.149 12.874 288 HZ1 LYS 34 HZ1 LYS 34 10.254 6.268 14.785 289 HZ2 LYS 34 HZ2 LYS 34 10.080 5.085 13.587 290 HZ3 LYS 34 HZ3 LYS 34 9.098 5.042 14.969 291 H LYS 35 H LYS 35 3.163 9.995 15.970 292 HA LYS 35 HA LYS 35 2.601 9.825 18.813 293 HB2 LYS 35 HB2 LYS 35 1.140 11.825 18.330 294 HB3 LYS 35 HB3 LYS 35 2.850 12.048 18.038 295 HG2 LYS 35 HG2 LYS 35 2.516 11.797 15.654 296 HG3 LYS 35 HG3 LYS 35 0.800 11.481 15.912 297 HD2 LYS 35 HD2 LYS 35 2.231 14.036 16.637 298 HD3 LYS 35 HD3 LYS 35 1.236 13.798 15.199 299 HE2 LYS 35 HE2 LYS 35 -0.690 13.285 16.672 300 HE3 LYS 35 HE3 LYS 35 0.321 13.647 18.071 301 HZ1 LYS 35 HZ1 LYS 35 -0.382 15.545 15.899 302 HZ2 LYS 35 HZ2 LYS 35 0.608 15.892 17.229 303 HZ3 LYS 35 HZ3 LYS 35 -1.032 15.541 17.465 304 H ARG 36 H ARG 36 0.663 9.267 19.705 305 HA ARG 36 HA ARG 36 -1.125 7.695 18.064 306 HB2 ARG 36 HB2 ARG 36 -0.416 7.050 20.387 307 HB3 ARG 36 HB3 ARG 36 -1.373 8.390 20.997 308 HG2 ARG 36 HG2 ARG 36 -3.393 7.385 20.065 309 HG3 ARG 36 HG3 ARG 36 -2.436 6.037 19.443 310 HD2 ARG 36 HD2 ARG 36 -3.515 5.397 21.510 311 HD3 ARG 36 HD3 ARG 36 -1.773 5.480 21.750 312 HE ARG 36 HE ARG 36 -2.793 7.957 22.467 313 HH11 ARG 36 HH11 ARG 36 -3.145 4.642 23.587 314 HH12 ARG 36 HH12 ARG 36 -3.470 5.107 25.230 315 HH21 ARG 36 HH21 ARG 36 -3.203 8.557 24.606 316 HH22 ARG 36 HH22 ARG 36 -3.502 7.337 25.806 317 H VAL 37 H VAL 37 -2.707 8.596 16.968 318 HA VAL 37 HA VAL 37 -3.764 11.206 17.832 319 HB VAL 37 HB VAL 37 -3.766 10.165 14.981 320 HG11 VAL 37 HG11 VAL 37 -5.375 11.943 15.488 321 HG12 VAL 37 HG12 VAL 37 -4.120 12.484 14.371 322 HG13 VAL 37 HG13 VAL 37 -4.054 12.961 16.068 323 HG21 VAL 37 HG21 VAL 37 -1.444 10.360 15.700 324 HG22 VAL 37 HG22 VAL 37 -1.741 12.018 16.228 325 HG23 VAL 37 HG23 VAL 37 -1.857 11.601 14.518 326 HA PRO 38 HA PRO 38 -7.820 9.111 17.851 327 HB2 PRO 38 HB2 PRO 38 -9.209 11.438 18.336 328 HB3 PRO 38 HB3 PRO 38 -8.525 10.400 19.591 329 HG2 PRO 38 HG2 PRO 38 -7.479 12.944 18.458 330 HG3 PRO 38 HG3 PRO 38 -7.414 12.341 20.123 331 HD2 PRO 38 HD2 PRO 38 -5.293 12.272 18.432 332 HD3 PRO 38 HD3 PRO 38 -5.542 11.085 19.725 333 H ALA 39 H ALA 39 -8.470 8.594 15.848 334 HA ALA 39 HA ALA 39 -8.797 10.746 13.856 335 HB1 ALA 39 HB1 ALA 39 -8.201 7.832 13.378 336 HB2 ALA 39 HB2 ALA 39 -7.036 9.154 13.277 337 HB3 ALA 39 HB3 ALA 39 -8.382 9.075 12.139 338 H TYR 40 H TYR 40 -10.647 10.810 12.621 339 HA TYR 40 HA TYR 40 -12.883 9.283 13.773 340 HB2 TYR 40 HB2 TYR 40 -13.145 11.746 12.049 341 HB3 TYR 40 HB3 TYR 40 -14.316 11.075 13.177 342 HD1 TYR 40 HD1 TYR 40 -13.409 10.985 15.714 343 HD2 TYR 40 HD2 TYR 40 -12.016 13.631 12.687 344 HE1 TYR 40 HE1 TYR 40 -12.572 12.519 17.444 345 HE2 TYR 40 HE2 TYR 40 -11.189 15.172 14.408 346 HH TYR 40 HH TYR 40 -11.767 15.686 16.819 347 H ALA 41 H ALA 41 -14.750 9.045 12.097 348 HA ALA 41 HA ALA 41 -13.743 7.560 9.829 349 HB1 ALA 41 HB1 ALA 41 -15.582 6.702 11.190 350 HB2 ALA 41 HB2 ALA 41 -16.077 6.911 9.511 351 HB3 ALA 41 HB3 ALA 41 -16.577 8.083 10.732 352 H HIS 42 H HIS 42 -13.418 10.472 9.844 353 HA HIS 42 HA HIS 42 -15.083 11.380 7.606 354 HB2 HIS 42 HB2 HIS 42 -15.231 12.881 9.441 355 HB3 HIS 42 HB3 HIS 42 -13.516 12.770 9.787 356 HD1 HIS 42 HD1 HIS 42 -12.020 14.512 8.781 357 HD2 HIS 42 HD2 HIS 42 -15.846 14.571 7.148 358 HE1 HIS 42 HE1 HIS 42 -12.107 16.571 7.339 359 HE2 HIS 42 HE2 HIS 42 -14.362 16.477 6.219 360 H ASP 43 H ASP 43 -11.802 10.669 8.579 361 HA ASP 43 HA ASP 43 -10.684 12.223 6.368 362 HB2 ASP 43 HB2 ASP 43 -9.358 11.002 8.801 363 HB3 ASP 43 HB3 ASP 43 -8.553 12.013 7.604 364 H LYS 44 H LYS 44 -11.934 9.735 5.813 365 HA LYS 44 HA LYS 44 -11.763 7.857 4.621 366 HB2 LYS 44 HB2 LYS 44 -9.127 9.088 3.884 367 HB3 LYS 44 HB3 LYS 44 -9.565 7.486 3.309 368 HG2 LYS 44 HG2 LYS 44 -11.511 8.385 2.191 369 HG3 LYS 44 HG3 LYS 44 -11.156 9.998 2.823 370 HD2 LYS 44 HD2 LYS 44 -9.077 10.069 1.593 371 HD3 LYS 44 HD3 LYS 44 -9.291 8.399 1.070 372 HE2 LYS 44 HE2 LYS 44 -11.179 10.637 0.376 373 HE3 LYS 44 HE3 LYS 44 -9.849 10.116 -0.658 374 HZ1 LYS 44 HZ1 LYS 44 -11.968 9.108 -1.283 375 HZ2 LYS 44 HZ2 LYS 44 -12.085 8.383 0.244 376 HZ3 LYS 44 HZ3 LYS 44 -10.836 7.940 -0.808 377 H VAL 45 H VAL 45 -11.922 6.652 6.594 378 HA VAL 45 HA VAL 45 -9.479 5.372 7.486 379 HB VAL 45 HB VAL 45 -12.332 4.585 8.156 380 HG11 VAL 45 HG11 VAL 45 -10.722 2.799 8.559 381 HG12 VAL 45 HG12 VAL 45 -11.337 3.440 10.084 382 HG13 VAL 45 HG13 VAL 45 -9.728 3.895 9.519 383 HG21 VAL 45 HG21 VAL 45 -12.025 5.789 10.259 384 HG22 VAL 45 HG22 VAL 45 -11.893 6.875 8.876 385 HG23 VAL 45 HG23 VAL 45 -10.439 6.338 9.716 386 H ILE 46 H ILE 46 -8.604 4.289 5.917 387 HA ILE 46 HA ILE 46 -10.109 2.122 4.597 388 HB ILE 46 HB ILE 46 -7.923 3.848 3.357 389 HG12 ILE 46 HG12 ILE 46 -10.021 5.101 3.440 390 HG13 ILE 46 HG13 ILE 46 -9.616 4.680 1.782 391 HG21 ILE 46 HG21 ILE 46 -9.503 1.615 2.095 392 HG22 ILE 46 HG22 ILE 46 -7.797 1.570 2.544 393 HG23 ILE 46 HG23 ILE 46 -8.346 2.657 1.266 394 HD11 ILE 46 HD11 ILE 46 -11.266 2.863 1.858 395 HD12 ILE 46 HD12 ILE 46 -11.993 4.438 2.182 396 HD13 ILE 46 HD13 ILE 46 -11.675 3.323 3.511 397 H SER 47 H SER 47 -9.014 0.147 4.770 398 HA SER 47 HA SER 47 -6.436 0.227 6.130 399 HB2 SER 47 HB2 SER 47 -8.270 -1.396 6.814 400 HB3 SER 47 HB3 SER 47 -8.002 -2.232 5.287 401 HG SER 47 HG SER 47 -6.408 -2.118 7.572 402 H LEU 48 H LEU 48 -4.521 -0.495 5.183 403 HA LEU 48 HA LEU 48 -4.306 -0.488 2.333 404 HB2 LEU 48 HB2 LEU 48 -2.535 0.258 3.993 405 HB3 LEU 48 HB3 LEU 48 -2.231 -1.435 4.318 406 HG LEU 48 HG LEU 48 -2.061 -0.749 1.467 407 HD11 LEU 48 HD11 LEU 48 0.078 0.408 1.666 408 HD12 LEU 48 HD12 LEU 48 -0.099 0.442 3.420 409 HD13 LEU 48 HD13 LEU 48 -1.225 1.342 2.403 410 HD21 LEU 48 HD21 LEU 48 -0.173 -2.086 3.411 411 HD22 LEU 48 HD22 LEU 48 0.021 -2.034 1.659 412 HD23 LEU 48 HD23 LEU 48 -1.339 -2.903 2.369 413 H ALA 49 H ALA 49 -5.005 -2.857 4.684 414 HA ALA 49 HA ALA 49 -4.383 -5.234 3.305 415 HB1 ALA 49 HB1 ALA 49 -4.894 -5.160 5.677 416 HB2 ALA 49 HB2 ALA 49 -5.960 -6.284 4.832 417 HB3 ALA 49 HB3 ALA 49 -6.555 -4.693 5.316 418 H ASP 50 H ASP 50 -6.944 -2.909 3.031 419 HA ASP 50 HA ASP 50 -8.917 -4.585 1.821 420 HB2 ASP 50 HB2 ASP 50 -9.566 -2.644 3.146 421 HB3 ASP 50 HB3 ASP 50 -8.710 -1.568 2.050 422 H ILE 51 H ILE 51 -6.347 -2.507 0.603 423 HA ILE 51 HA ILE 51 -7.294 -2.504 -2.099 424 HB ILE 51 HB ILE 51 -4.466 -1.941 -1.121 425 HG12 ILE 51 HG12 ILE 51 -5.290 0.460 -1.926 426 HG13 ILE 51 HG13 ILE 51 -6.863 -0.195 -1.494 427 HG21 ILE 51 HG21 ILE 51 -4.480 -2.586 -3.467 428 HG22 ILE 51 HG22 ILE 51 -4.129 -0.865 -3.303 429 HG23 ILE 51 HG23 ILE 51 -5.735 -1.396 -3.806 430 HD11 ILE 51 HD11 ILE 51 -5.914 1.093 0.317 431 HD12 ILE 51 HD12 ILE 51 -4.489 0.054 0.337 432 HD13 ILE 51 HD13 ILE 51 -6.068 -0.602 0.774 433 H ALA 52 H ALA 52 -7.550 -4.342 -3.105 434 HA ALA 52 HA ALA 52 -5.357 -6.307 -3.112 435 HB1 ALA 52 HB1 ALA 52 -7.008 -7.907 -4.031 436 HB2 ALA 52 HB2 ALA 52 -8.253 -6.662 -3.925 437 HB3 ALA 52 HB3 ALA 52 -7.501 -7.284 -2.455 438 H MET 53 H MET 53 -4.650 -7.088 -5.127 439 HA MET 53 HA MET 53 -5.321 -5.396 -7.425 440 HB2 MET 53 HB2 MET 53 -3.170 -4.642 -6.535 441 HB3 MET 53 HB3 MET 53 -2.558 -6.290 -6.552 442 HG2 MET 53 HG2 MET 53 -2.668 -6.334 -8.951 443 HG3 MET 53 HG3 MET 53 -3.389 -4.728 -8.969 444 HE1 MET 53 HE1 MET 53 -1.813 -3.139 -6.838 445 HE2 MET 53 HE2 MET 53 -2.123 -2.520 -8.460 446 HE3 MET 53 HE3 MET 53 -0.494 -2.454 -7.788 447 H TYR 54 H TYR 54 -6.077 -6.617 -9.018 448 HA TYR 54 HA TYR 54 -5.853 -9.494 -8.699 449 HB2 TYR 54 HB2 TYR 54 -7.945 -7.845 -9.329 450 HB3 TYR 54 HB3 TYR 54 -7.475 -8.458 -10.913 451 HD1 TYR 54 HD1 TYR 54 -8.506 -9.446 -7.525 452 HD2 TYR 54 HD2 TYR 54 -8.008 -10.677 -11.562 453 HE1 TYR 54 HE1 TYR 54 -9.703 -11.516 -7.016 454 HE2 TYR 54 HE2 TYR 54 -9.211 -12.768 -11.076 455 HH TYR 54 HH TYR 54 -9.746 -14.178 -9.188 456 H THR 55 H THR 55 -4.454 -10.626 -9.790 457 HA THR 55 HA THR 55 -3.193 -9.441 -12.177 458 HB THR 55 HB THR 55 -1.246 -10.864 -11.659 459 HG1 THR 55 HG1 THR 55 -2.602 -11.598 -9.258 460 HG21 THR 55 HG21 THR 55 -2.175 -9.296 -9.252 461 HG22 THR 55 HG22 THR 55 -1.305 -8.641 -10.642 462 HG23 THR 55 HG23 THR 55 -0.514 -9.801 -9.574 463 H ASP 56 H ASP 56 -2.079 -11.636 -13.359 464 HA ASP 56 HA ASP 56 -4.246 -13.208 -14.363 465 HB2 ASP 56 HB2 ASP 56 -2.308 -12.777 -15.772 466 HB3 ASP 56 HB3 ASP 56 -1.242 -13.562 -14.618 467 H ALA 57 H ALA 57 -1.910 -13.557 -11.829 468 HA ALA 57 HA ALA 57 -2.709 -16.233 -11.074 469 HB1 ALA 57 HB1 ALA 57 -0.402 -15.463 -10.731 470 HB2 ALA 57 HB2 ALA 57 -1.164 -15.897 -9.200 471 HB3 ALA 57 HB3 ALA 57 -0.981 -14.198 -9.644 472 H GLU 58 H GLU 58 -2.788 -15.828 -8.267 473 HA GLU 58 HA GLU 58 -5.486 -15.286 -7.814 474 HB2 GLU 58 HB2 GLU 58 -3.202 -15.494 -5.847 475 HB3 GLU 58 HB3 GLU 58 -4.894 -15.434 -5.384 476 HG2 GLU 58 HG2 GLU 58 -4.677 -17.670 -5.370 477 HG3 GLU 58 HG3 GLU 58 -4.973 -17.498 -7.098 478 H GLU 59 H GLU 59 -6.061 -13.888 -5.783 479 HA GLU 59 HA GLU 59 -5.685 -11.160 -6.587 480 HB2 GLU 59 HB2 GLU 59 -7.224 -10.698 -4.615 481 HB3 GLU 59 HB3 GLU 59 -7.901 -11.636 -5.935 482 HG2 GLU 59 HG2 GLU 59 -7.653 -13.676 -4.668 483 HG3 GLU 59 HG3 GLU 59 -6.839 -12.802 -3.370 484 H VAL 60 H VAL 60 -3.827 -10.327 -6.132 485 HA VAL 60 HA VAL 60 -2.466 -11.068 -3.669 486 HB VAL 60 HB VAL 60 -1.405 -9.405 -5.986 487 HG11 VAL 60 HG11 VAL 60 -0.228 -9.068 -3.888 488 HG12 VAL 60 HG12 VAL 60 0.771 -9.950 -5.047 489 HG13 VAL 60 HG13 VAL 60 -0.022 -10.811 -3.726 490 HG21 VAL 60 HG21 VAL 60 -0.961 -12.306 -5.377 491 HG22 VAL 60 HG22 VAL 60 -0.195 -11.379 -6.669 492 HG23 VAL 60 HG23 VAL 60 -1.936 -11.680 -6.708 493 HA PRO 61 HA PRO 61 -3.995 -7.142 -1.955 494 HB2 PRO 61 HB2 PRO 61 -2.542 -7.390 0.381 495 HB3 PRO 61 HB3 PRO 61 -4.158 -8.052 0.135 496 HG2 PRO 61 HG2 PRO 61 -1.512 -9.410 0.004 497 HG3 PRO 61 HG3 PRO 61 -3.056 -10.021 0.623 498 HD2 PRO 61 HD2 PRO 61 -2.059 -10.733 -1.787 499 HD3 PRO 61 HD3 PRO 61 -3.801 -10.613 -1.479 500 H LEU 62 H LEU 62 -2.940 -5.145 -1.422 501 HA LEU 62 HA LEU 62 -0.795 -4.600 -3.140 502 HB2 LEU 62 HB2 LEU 62 -2.630 -3.036 -2.223 503 HB3 LEU 62 HB3 LEU 62 -1.533 -2.772 -0.876 504 HG LEU 62 HG LEU 62 0.198 -2.037 -2.556 505 HD11 LEU 62 HD11 LEU 62 -0.607 -1.428 -4.787 506 HD12 LEU 62 HD12 LEU 62 -2.186 -2.121 -4.411 507 HD13 LEU 62 HD13 LEU 62 -0.764 -3.161 -4.502 508 HD21 LEU 62 HD21 LEU 62 -2.382 -0.490 -2.479 509 HD22 LEU 62 HD22 LEU 62 -0.811 0.150 -2.965 510 HD23 LEU 62 HD23 LEU 62 -1.067 -0.400 -1.307 511 H SER 63 H SER 63 -0.838 -5.516 0.175 512 HA SER 63 HA SER 63 1.666 -4.786 1.115 513 HB2 SER 63 HB2 SER 63 0.116 -7.322 1.640 514 HB3 SER 63 HB3 SER 63 1.385 -6.650 2.671 515 HG SER 63 HG SER 63 -0.082 -4.672 2.557 516 H GLU 64 H GLU 64 0.792 -7.820 -0.654 517 HA GLU 64 HA GLU 64 3.515 -8.760 -0.689 518 HB2 GLU 64 HB2 GLU 64 1.216 -9.676 -2.413 519 HB3 GLU 64 HB3 GLU 64 2.722 -10.533 -2.135 520 HG2 GLU 64 HG2 GLU 64 2.071 -10.705 0.275 521 HG3 GLU 64 HG3 GLU 64 0.497 -10.047 -0.179 522 H VAL 65 H VAL 65 1.330 -7.234 -2.981 523 HA VAL 65 HA VAL 65 2.820 -6.927 -5.260 524 HB VAL 65 HB VAL 65 0.885 -5.063 -3.891 525 HG11 VAL 65 HG11 VAL 65 2.260 -3.677 -5.333 526 HG12 VAL 65 HG12 VAL 65 0.636 -3.860 -6.001 527 HG13 VAL 65 HG13 VAL 65 1.981 -4.780 -6.679 528 HG21 VAL 65 HG21 VAL 65 0.635 -6.903 -6.260 529 HG22 VAL 65 HG22 VAL 65 -0.638 -5.843 -5.651 530 HG23 VAL 65 HG23 VAL 65 -0.034 -7.165 -4.650 531 H LEU 66 H LEU 66 3.012 -4.812 -2.371 532 HA LEU 66 HA LEU 66 4.935 -2.982 -3.287 533 HB2 LEU 66 HB2 LEU 66 4.525 -3.993 -0.471 534 HB3 LEU 66 HB3 LEU 66 5.440 -2.568 -0.910 535 HG LEU 66 HG LEU 66 2.519 -2.810 -1.550 536 HD11 LEU 66 HD11 LEU 66 2.095 -1.582 0.512 537 HD12 LEU 66 HD12 LEU 66 3.795 -1.766 0.951 538 HD13 LEU 66 HD13 LEU 66 2.756 -3.188 0.815 539 HD21 LEU 66 HD21 LEU 66 3.812 -1.038 -2.650 540 HD22 LEU 66 HD22 LEU 66 4.282 -0.427 -1.061 541 HD23 LEU 66 HD23 LEU 66 2.583 -0.422 -1.547 542 H GLU 67 H GLU 67 5.271 -6.015 -1.532 543 HA GLU 67 HA GLU 67 8.055 -5.886 -1.131 544 HB2 GLU 67 HB2 GLU 67 5.987 -8.021 -0.926 545 HB3 GLU 67 HB3 GLU 67 7.690 -8.456 -0.835 546 HG2 GLU 67 HG2 GLU 67 6.363 -6.407 0.900 547 HG3 GLU 67 HG3 GLU 67 6.618 -8.090 1.361 548 H ALA 68 H ALA 68 6.155 -7.134 -3.803 549 HA ALA 68 HA ALA 68 8.143 -8.739 -4.987 550 HB1 ALA 68 HB1 ALA 68 5.779 -8.893 -5.565 551 HB2 ALA 68 HB2 ALA 68 6.771 -8.615 -6.998 552 HB3 ALA 68 HB3 ALA 68 5.844 -7.289 -6.292 553 H VAL 69 H VAL 69 7.193 -5.346 -5.619 554 HA VAL 69 HA VAL 69 9.308 -4.991 -7.529 555 HB VAL 69 HB VAL 69 8.633 -2.585 -7.578 556 HG11 VAL 69 HG11 VAL 69 6.420 -4.588 -7.943 557 HG12 VAL 69 HG12 VAL 69 7.664 -4.169 -9.121 558 HG13 VAL 69 HG13 VAL 69 6.464 -2.968 -8.639 559 HG21 VAL 69 HG21 VAL 69 6.491 -3.459 -5.629 560 HG22 VAL 69 HG22 VAL 69 6.534 -1.915 -6.481 561 HG23 VAL 69 HG23 VAL 69 7.788 -2.308 -5.304 562 H LYS 70 H LYS 70 8.901 -4.339 -4.120 563 HA LYS 70 HA LYS 70 11.135 -2.597 -3.849 564 HB2 LYS 70 HB2 LYS 70 9.248 -2.549 -2.319 565 HB3 LYS 70 HB3 LYS 70 9.652 -4.167 -1.749 566 HG2 LYS 70 HG2 LYS 70 11.677 -3.371 -0.772 567 HG3 LYS 70 HG3 LYS 70 11.454 -1.781 -1.505 568 HD2 LYS 70 HD2 LYS 70 10.817 -1.675 0.801 569 HD3 LYS 70 HD3 LYS 70 9.378 -1.517 -0.203 570 HE2 LYS 70 HE2 LYS 70 8.882 -2.958 1.648 571 HE3 LYS 70 HE3 LYS 70 8.916 -3.920 0.171 572 HZ1 LYS 70 HZ1 LYS 70 11.144 -4.652 0.736 573 HZ2 LYS 70 HZ2 LYS 70 10.050 -5.029 1.972 574 HZ3 LYS 70 HZ3 LYS 70 11.117 -3.722 2.155 575 H LYS 71 H LYS 71 10.765 -6.093 -3.643 576 HA LYS 71 HA LYS 71 13.194 -6.801 -2.440 577 HB2 LYS 71 HB2 LYS 71 11.218 -8.279 -2.985 578 HB3 LYS 71 HB3 LYS 71 11.777 -8.306 -4.645 579 HG2 LYS 71 HG2 LYS 71 13.721 -9.125 -2.577 580 HG3 LYS 71 HG3 LYS 71 12.354 -10.199 -2.865 581 HD2 LYS 71 HD2 LYS 71 12.932 -10.178 -5.289 582 HD3 LYS 71 HD3 LYS 71 14.379 -9.251 -4.890 583 HE2 LYS 71 HE2 LYS 71 14.950 -11.590 -5.090 584 HE3 LYS 71 HE3 LYS 71 15.102 -11.088 -3.405 585 HZ1 LYS 71 HZ1 LYS 71 12.853 -12.611 -4.604 586 HZ2 LYS 71 HZ2 LYS 71 12.869 -12.029 -3.014 587 HZ3 LYS 71 HZ3 LYS 71 13.998 -13.193 -3.497 588 H LYS 72 H LYS 72 12.455 -5.980 -5.784 589 HA LYS 72 HA LYS 72 14.853 -6.640 -7.059 590 HB2 LYS 72 HB2 LYS 72 12.770 -6.009 -8.209 591 HB3 LYS 72 HB3 LYS 72 12.926 -4.370 -7.608 592 HG2 LYS 72 HG2 LYS 72 13.575 -4.401 -9.896 593 HG3 LYS 72 HG3 LYS 72 15.023 -4.149 -8.919 594 HD2 LYS 72 HD2 LYS 72 15.580 -6.527 -9.147 595 HD3 LYS 72 HD3 LYS 72 14.136 -6.766 -10.136 596 HE2 LYS 72 HE2 LYS 72 15.003 -5.190 -11.785 597 HE3 LYS 72 HE3 LYS 72 16.439 -4.937 -10.795 598 HZ1 LYS 72 HZ1 LYS 72 16.972 -7.289 -11.074 599 HZ2 LYS 72 HZ2 LYS 72 16.890 -6.486 -12.561 600 HZ3 LYS 72 HZ3 LYS 72 15.614 -7.483 -12.068 601 H GLU 73 H GLU 73 13.917 -3.738 -5.290 602 HA GLU 73 HA GLU 73 16.504 -2.497 -5.828 603 HB2 GLU 73 HB2 GLU 73 13.996 -1.383 -4.562 604 HB3 GLU 73 HB3 GLU 73 15.464 -0.462 -4.861 605 HG2 GLU 73 HG2 GLU 73 13.682 -1.728 -6.934 606 HG3 GLU 73 HG3 GLU 73 13.829 -0.006 -6.582 607 H ASN 74 H ASN 74 15.402 -4.584 -3.621 608 HA ASN 74 HA ASN 74 16.034 -5.340 -1.599 609 HB2 ASN 74 HB2 ASN 74 18.389 -3.533 -2.124 610 HB3 ASN 74 HB3 ASN 74 18.281 -4.561 -0.701 611 HD21 ASN 74 HD21 ASN 74 18.482 -6.767 -0.920 612 HD22 ASN 74 HD22 ASN 74 19.056 -7.513 -2.373 613 H GLY 75 H GLY 75 14.269 -2.999 -1.720 614 HA2 GLY 75 HA2 GLY 75 13.099 -1.878 -0.056 615 HA3 GLY 75 HA3 GLY 75 14.356 -2.319 1.088 616 H ALA 76 H ALA 76 14.188 -0.376 -1.902 617 HA ALA 76 HA ALA 76 16.075 1.512 -0.732 618 HB1 ALA 76 HB1 ALA 76 15.001 1.362 -3.542 619 HB2 ALA 76 HB2 ALA 76 16.497 0.619 -2.979 620 HB3 ALA 76 HB3 ALA 76 16.333 2.375 -2.980 621 H VAL 77 H VAL 77 13.234 1.423 0.074 622 HA VAL 77 HA VAL 77 11.774 2.817 0.991 623 HB VAL 77 HB VAL 77 13.343 5.179 -0.078 624 HG11 VAL 77 HG11 VAL 77 11.092 5.735 0.687 625 HG12 VAL 77 HG12 VAL 77 12.306 6.367 1.800 626 HG13 VAL 77 HG13 VAL 77 11.398 4.912 2.218 627 HG21 VAL 77 HG21 VAL 77 13.608 3.731 2.568 628 HG22 VAL 77 HG22 VAL 77 14.429 5.228 2.127 629 HG23 VAL 77 HG23 VAL 77 14.797 3.734 1.266 630 H ALA 78 H ALA 78 12.589 4.387 -2.135 631 HA ALA 78 HA ALA 78 10.434 3.908 -3.664 632 HB1 ALA 78 HB1 ALA 78 8.918 5.810 -3.442 633 HB2 ALA 78 HB2 ALA 78 9.789 6.369 -2.013 634 HB3 ALA 78 HB3 ALA 78 8.912 4.834 -1.974 635 H SER 79 H SER 79 12.279 4.140 -4.998 636 HA SER 79 HA SER 79 13.693 6.665 -5.110 637 HB2 SER 79 HB2 SER 79 14.036 4.238 -6.877 638 HB3 SER 79 HB3 SER 79 15.195 5.543 -6.615 639 HG SER 79 HG SER 79 15.563 3.570 -5.381 640 H ILE 80 H ILE 80 11.042 5.281 -6.685 641 HA ILE 80 HA ILE 80 11.456 6.285 -9.318 642 HB ILE 80 HB ILE 80 10.273 4.286 -9.224 643 HG12 ILE 80 HG12 ILE 80 8.180 6.434 -9.666 644 HG13 ILE 80 HG13 ILE 80 9.282 5.795 -10.878 645 HG21 ILE 80 HG21 ILE 80 8.253 3.892 -7.880 646 HG22 ILE 80 HG22 ILE 80 8.422 5.506 -7.186 647 HG23 ILE 80 HG23 ILE 80 9.665 4.288 -6.899 648 HD11 ILE 80 HD11 ILE 80 7.043 4.898 -11.135 649 HD12 ILE 80 HD12 ILE 80 7.098 4.259 -9.490 650 HD13 ILE 80 HD13 ILE 80 8.190 3.621 -10.720 651 H ASN 81 H ASN 81 9.508 7.378 -6.557 652 HA ASN 81 HA ASN 81 8.445 9.304 -6.037 653 HB2 ASN 81 HB2 ASN 81 9.968 10.358 -8.407 654 HB3 ASN 81 HB3 ASN 81 8.821 11.361 -7.527 655 HD21 ASN 81 HD21 ASN 81 11.866 9.669 -7.372 656 HD22 ASN 81 HD22 ASN 81 12.447 10.456 -5.947 657 H TYR 82 H TYR 82 6.375 9.854 -6.172 658 HA TYR 82 HA TYR 82 4.913 8.519 -8.282 659 HB2 TYR 82 HB2 TYR 82 2.904 8.955 -6.885 660 HB3 TYR 82 HB3 TYR 82 4.166 8.067 -6.050 661 HD1 TYR 82 HD2 TYR 82 2.353 11.249 -6.252 662 HD2 TYR 82 HD1 TYR 82 5.301 9.034 -4.137 663 HE1 TYR 82 HE2 TYR 82 2.253 12.878 -4.420 664 HE2 TYR 82 HE1 TYR 82 5.200 10.656 -2.292 665 HH TYR 82 HH TYR 82 4.568 13.091 -2.027 666 H LYS 83 H LYS 83 5.850 11.754 -7.720 667 HA LYS 83 HA LYS 83 3.669 12.724 -9.452 668 HB2 LYS 83 HB2 LYS 83 5.503 14.217 -7.580 669 HB3 LYS 83 HB3 LYS 83 4.567 15.036 -8.818 670 HG2 LYS 83 HG2 LYS 83 3.420 13.343 -6.626 671 HG3 LYS 83 HG3 LYS 83 3.509 15.108 -6.619 672 HD2 LYS 83 HD2 LYS 83 2.101 15.214 -8.587 673 HD3 LYS 83 HD3 LYS 83 2.069 13.453 -8.690 674 HE2 LYS 83 HE2 LYS 83 0.038 14.091 -7.682 675 HE3 LYS 83 HE3 LYS 83 1.061 13.455 -6.399 676 HZ1 LYS 83 HZ1 LYS 83 -0.099 15.473 -5.726 677 HZ2 LYS 83 HZ2 LYS 83 0.647 16.335 -6.981 678 HZ3 LYS 83 HZ3 LYS 83 1.581 15.701 -5.719 679 H LYS 84 H LYS 84 6.909 11.858 -9.398 680 HA LYS 84 HA LYS 84 7.574 13.375 -11.794 681 HB2 LYS 84 HB2 LYS 84 9.203 11.602 -9.981 682 HB3 LYS 84 HB3 LYS 84 9.831 12.299 -11.468 683 HG2 LYS 84 HG2 LYS 84 9.524 14.529 -10.621 684 HG3 LYS 84 HG3 LYS 84 8.719 13.911 -9.180 685 HD2 LYS 84 HD2 LYS 84 11.031 14.544 -8.710 686 HD3 LYS 84 HD3 LYS 84 10.784 12.814 -8.481 687 HE2 LYS 84 HE2 LYS 84 12.883 13.199 -9.613 688 HE3 LYS 84 HE3 LYS 84 11.749 12.408 -10.706 689 HZ1 LYS 84 HZ1 LYS 84 12.347 15.319 -10.681 690 HZ2 LYS 84 HZ2 LYS 84 11.311 14.523 -11.759 691 HZ3 LYS 84 HZ3 LYS 84 12.972 14.200 -11.790 692 H ALA 85 H ALA 85 5.821 10.753 -11.323 693 HA ALA 85 HA ALA 85 6.766 9.513 -13.815 694 HB1 ALA 85 HB1 ALA 85 6.005 7.349 -13.053 695 HB2 ALA 85 HB2 ALA 85 5.443 8.046 -11.531 696 HB3 ALA 85 HB3 ALA 85 7.168 8.009 -11.902 697 H SER 86 H SER 86 5.095 8.433 -15.027 698 HA SER 86 HA SER 86 2.552 9.903 -14.970 699 HB2 SER 86 HB2 SER 86 4.170 10.057 -16.971 700 HB3 SER 86 HB3 SER 86 3.747 8.379 -17.297 701 HG SER 86 HG SER 86 2.114 9.171 -18.343 702 H ALA 87 H ALA 87 0.999 8.210 -16.505 703 HA ALA 87 HA ALA 87 0.615 5.860 -14.877 704 HB1 ALA 87 HB1 ALA 87 -0.800 6.658 -17.411 705 HB2 ALA 87 HB2 ALA 87 -1.288 7.101 -15.775 706 HB3 ALA 87 HB3 ALA 87 -1.306 5.409 -16.269 707 H ASP 88 H ASP 88 1.922 6.510 -18.084 708 HA ASP 88 HA ASP 88 1.583 3.890 -19.114 709 HB2 ASP 88 HB2 ASP 88 3.332 6.153 -20.088 710 HB3 ASP 88 HB3 ASP 88 2.917 4.721 -21.022 711 H GLU 89 H GLU 89 4.536 5.609 -18.120 712 HA GLU 89 HA GLU 89 6.184 3.303 -18.546 713 HB2 GLU 89 HB2 GLU 89 7.853 4.937 -17.212 714 HB3 GLU 89 HB3 GLU 89 7.560 5.036 -18.937 715 HG2 GLU 89 HG2 GLU 89 7.441 7.246 -18.183 716 HG3 GLU 89 HG3 GLU 89 5.766 6.752 -18.369 717 H LEU 90 H LEU 90 4.476 4.634 -15.898 718 HA LEU 90 HA LEU 90 5.502 3.359 -13.665 719 HB2 LEU 90 HB2 LEU 90 3.687 5.055 -13.807 720 HB3 LEU 90 HB3 LEU 90 2.616 3.809 -14.407 721 HG LEU 90 HG LEU 90 3.056 2.606 -12.194 722 HD11 LEU 90 HD11 LEU 90 4.997 3.904 -11.501 723 HD12 LEU 90 HD12 LEU 90 3.687 4.057 -10.332 724 HD13 LEU 90 HD13 LEU 90 4.018 5.372 -11.461 725 HD21 LEU 90 HD21 LEU 90 1.313 3.903 -11.096 726 HD22 LEU 90 HD22 LEU 90 0.957 3.693 -12.811 727 HD23 LEU 90 HD23 LEU 90 1.579 5.235 -12.222 728 H HIS 91 H HIS 91 3.450 2.053 -16.258 729 HA HIS 91 HA HIS 91 2.901 -0.463 -15.120 730 HB2 HIS 91 HB2 HIS 91 3.010 0.548 -17.950 731 HB3 HIS 91 HB3 HIS 91 2.774 -1.164 -17.625 732 HD1 HIS 91 HD1 HIS 91 0.517 -1.858 -16.513 733 HD2 HIS 91 HD2 HIS 91 0.792 2.160 -17.551 734 HE1 HIS 91 HE1 HIS 91 -1.831 -0.961 -16.378 735 HE2 HIS 91 HE2 HIS 91 -1.618 1.498 -16.870 736 H ALA 92 H ALA 92 5.635 0.694 -17.072 737 HA ALA 92 HA ALA 92 6.854 -1.843 -17.450 738 HB1 ALA 92 HB1 ALA 92 7.261 0.059 -18.912 739 HB2 ALA 92 HB2 ALA 92 8.766 -0.583 -18.252 740 HB3 ALA 92 HB3 ALA 92 8.072 0.902 -17.594 741 H TYR 93 H TYR 93 7.117 0.603 -14.946 742 HA TYR 93 HA TYR 93 9.412 -0.386 -13.621 743 HB2 TYR 93 HB2 TYR 93 8.516 1.859 -13.207 744 HB3 TYR 93 HB3 TYR 93 7.043 1.170 -12.544 745 HD1 TYR 93 HD2 TYR 93 10.688 1.537 -11.952 746 HD2 TYR 93 HD1 TYR 93 6.908 0.565 -10.246 747 HE1 TYR 93 HE2 TYR 93 11.692 1.581 -9.706 748 HE2 TYR 93 HE1 TYR 93 7.904 0.609 -8.000 749 HH TYR 93 HH TYR 93 10.176 0.328 -6.979 750 H PHE 94 H PHE 94 5.976 -1.175 -13.371 751 HA PHE 94 HA PHE 94 6.311 -2.901 -11.100 752 HB2 PHE 94 HB2 PHE 94 4.200 -1.613 -11.684 753 HB3 PHE 94 HB3 PHE 94 3.941 -2.794 -12.967 754 HD1 PHE 94 HD1 PHE 94 4.236 -2.356 -9.335 755 HD2 PHE 94 HD2 PHE 94 3.063 -4.940 -12.491 756 HE1 PHE 94 HE1 PHE 94 3.189 -3.863 -7.713 757 HE2 PHE 94 HE2 PHE 94 2.007 -6.449 -10.871 758 HZ PHE 94 HZ PHE 94 2.073 -5.913 -8.477 759 H ALA 95 H ALA 95 6.174 -3.239 -14.582 760 HA ALA 95 HA ALA 95 5.875 -6.093 -14.595 761 HB1 ALA 95 HB1 ALA 95 6.045 -5.912 -17.004 762 HB2 ALA 95 HB2 ALA 95 6.593 -4.241 -16.861 763 HB3 ALA 95 HB3 ALA 95 4.956 -4.677 -16.373 764 H GLU 96 H GLU 96 8.454 -4.328 -13.715 765 HA GLU 96 HA GLU 96 10.595 -5.593 -15.087 766 HB2 GLU 96 HB2 GLU 96 10.741 -3.422 -13.827 767 HB3 GLU 96 HB3 GLU 96 10.615 -4.339 -12.332 768 HG2 GLU 96 HG2 GLU 96 12.912 -3.799 -12.743 769 HG3 GLU 96 HG3 GLU 96 12.685 -5.536 -12.939 770 H VAL 97 H VAL 97 8.966 -6.185 -11.989 771 HA VAL 97 HA VAL 97 10.394 -8.733 -11.760 772 HB VAL 97 HB VAL 97 9.455 -8.814 -9.424 773 HG11 VAL 97 HG11 VAL 97 11.216 -6.475 -10.132 774 HG12 VAL 97 HG12 VAL 97 11.744 -8.137 -9.866 775 HG13 VAL 97 HG13 VAL 97 11.066 -7.201 -8.532 776 HG21 VAL 97 HG21 VAL 97 7.591 -7.271 -9.707 777 HG22 VAL 97 HG22 VAL 97 8.715 -5.951 -10.036 778 HG23 VAL 97 HG23 VAL 97 8.680 -6.703 -8.439 779 H LEU 98 H LEU 98 7.154 -7.363 -11.996 780 HA LEU 98 HA LEU 98 6.099 -10.098 -12.245 781 HB2 LEU 98 HB2 LEU 98 4.690 -7.628 -11.220 782 HB3 LEU 98 HB3 LEU 98 3.899 -9.156 -11.538 783 HG LEU 98 HG LEU 98 6.019 -8.684 -9.435 784 HD11 LEU 98 HD11 LEU 98 3.048 -9.135 -9.204 785 HD12 LEU 98 HD12 LEU 98 3.890 -7.612 -8.917 786 HD13 LEU 98 HD13 LEU 98 4.181 -8.994 -7.859 787 HD21 LEU 98 HD21 LEU 98 6.081 -10.968 -10.317 788 HD22 LEU 98 HD22 LEU 98 4.347 -11.127 -10.024 789 HD23 LEU 98 HD23 LEU 98 5.458 -10.936 -8.667 790 HA PRO 99 HA PRO 99 4.915 -8.233 -16.229 791 HB2 PRO 99 HB2 PRO 99 5.832 -10.174 -17.844 792 HB3 PRO 99 HB3 PRO 99 6.890 -8.915 -17.202 793 HG2 PRO 99 HG2 PRO 99 6.667 -11.768 -16.431 794 HG3 PRO 99 HG3 PRO 99 8.067 -10.687 -16.363 795 HD2 PRO 99 HD2 PRO 99 6.346 -11.413 -14.228 796 HD3 PRO 99 HD3 PRO 99 7.640 -10.199 -14.199 797 H ASN 100 H ASN 100 3.883 -10.573 -14.275 798 HA ASN 100 HA ASN 100 2.015 -11.879 -16.127 799 HB2 ASN 100 HB2 ASN 100 1.808 -13.641 -14.413 800 HB3 ASN 100 HB3 ASN 100 3.476 -13.428 -14.919 801 HD21 ASN 100 HD21 ASN 100 2.313 -14.586 -12.472 802 HD22 ASN 100 HD22 ASN 100 3.037 -13.723 -11.159 803 H TYR 101 H TYR 101 1.764 -9.187 -14.805 804 HA TYR 101 HA TYR 101 -0.661 -9.636 -13.228 805 HB2 TYR 101 HB2 TYR 101 -0.450 -7.431 -12.386 806 HB3 TYR 101 HB3 TYR 101 1.167 -8.105 -12.372 807 HD1 TYR 101 HD1 TYR 101 2.369 -7.582 -14.871 808 HD2 TYR 101 HD2 TYR 101 -0.502 -5.222 -12.818 809 HE1 TYR 101 HE1 TYR 101 3.181 -5.584 -16.040 810 HE2 TYR 101 HE2 TYR 101 0.292 -3.221 -13.985 811 HH TYR 101 HH TYR 101 2.583 -2.552 -15.069 812 H ASP 102 H ASP 102 -2.390 -7.775 -13.695 813 HA ASP 102 HA ASP 102 -2.992 -8.105 -16.547 814 HB2 ASP 102 HB2 ASP 102 -4.492 -8.906 -14.537 815 HB3 ASP 102 HB3 ASP 102 -5.009 -7.225 -14.507 816 H ARG 103 H ARG 103 -4.630 -6.171 -17.240 817 HA ARG 103 HA ARG 103 -3.321 -3.635 -16.501 818 HB2 ARG 103 HB2 ARG 103 -2.669 -4.509 -18.746 819 HB3 ARG 103 HB3 ARG 103 -4.351 -4.417 -19.238 820 HG2 ARG 103 HG2 ARG 103 -4.340 -2.039 -19.082 821 HG3 ARG 103 HG3 ARG 103 -2.753 -2.046 -18.315 822 HD2 ARG 103 HD2 ARG 103 -2.622 -1.407 -20.672 823 HD3 ARG 103 HD3 ARG 103 -1.746 -2.900 -20.347 824 HE ARG 103 HE ARG 103 -4.438 -3.360 -21.230 825 HH11 ARG 103 HH11 ARG 103 -1.164 -2.731 -22.324 826 HH12 ARG 103 HH12 ARG 103 -1.422 -3.431 -23.894 827 HH21 ARG 103 HH21 ARG 103 -4.770 -4.299 -23.258 828 HH22 ARG 103 HH22 ARG 103 -3.481 -4.331 -24.420 829 H ASP 104 H ASP 104 -6.257 -5.369 -17.032 830 HA ASP 104 HA ASP 104 -7.863 -2.947 -16.625 831 HB2 ASP 104 HB2 ASP 104 -8.598 -4.449 -18.431 832 HB3 ASP 104 HB3 ASP 104 -8.722 -5.781 -17.287 833 H ARG 105 H ARG 105 -7.381 -6.198 -15.307 834 HA ARG 105 HA ARG 105 -8.948 -5.805 -12.964 835 HB2 ARG 105 HB2 ARG 105 -7.000 -7.901 -13.871 836 HB3 ARG 105 HB3 ARG 105 -7.638 -7.924 -12.231 837 HG2 ARG 105 HG2 ARG 105 -9.578 -8.770 -12.898 838 HG3 ARG 105 HG3 ARG 105 -9.734 -7.586 -14.196 839 HD2 ARG 105 HD2 ARG 105 -9.692 -9.806 -15.128 840 HD3 ARG 105 HD3 ARG 105 -8.229 -8.943 -15.585 841 HE ARG 105 HE ARG 105 -7.647 -10.433 -13.292 842 HH11 ARG 105 HH11 ARG 105 -8.480 -10.978 -16.659 843 HH12 ARG 105 HH12 ARG 105 -7.705 -12.532 -16.733 844 HH21 ARG 105 HH21 ARG 105 -6.618 -12.495 -13.409 845 HH22 ARG 105 HH22 ARG 105 -6.668 -13.394 -14.894 846 H VAL 106 H VAL 106 -5.450 -5.527 -13.603 847 HA VAL 106 HA VAL 106 -5.057 -4.231 -11.032 848 HB VAL 106 HB VAL 106 -3.222 -4.289 -13.449 849 HG11 VAL 106 HG11 VAL 106 -1.472 -3.483 -11.958 850 HG12 VAL 106 HG12 VAL 106 -2.636 -3.388 -10.637 851 HG13 VAL 106 HG13 VAL 106 -2.810 -2.335 -12.040 852 HG21 VAL 106 HG21 VAL 106 -3.107 -5.876 -10.902 853 HG22 VAL 106 HG22 VAL 106 -1.883 -5.880 -12.173 854 HG23 VAL 106 HG23 VAL 106 -3.502 -6.499 -12.505 855 H HIS 107 H HIS 107 -5.788 -2.230 -10.722 856 HA HIS 107 HA HIS 107 -6.926 -0.806 -12.955 857 HB2 HIS 107 HB2 HIS 107 -6.917 -0.143 -9.998 858 HB3 HIS 107 HB3 HIS 107 -7.790 0.769 -11.228 859 HD1 HIS 107 HD1 HIS 107 -9.879 -0.392 -12.299 860 HD2 HIS 107 HD2 HIS 107 -8.100 -2.526 -9.207 861 HE1 HIS 107 HE1 HIS 107 -11.525 -2.186 -11.683 862 HE2 HIS 107 HE2 HIS 107 -10.342 -3.584 -9.956 863 H ASN 108 H ASN 108 -6.374 1.236 -13.689 864 HA ASN 108 HA ASN 108 -3.532 1.641 -13.648 865 HB2 ASN 108 HB2 ASN 108 -5.063 1.823 -15.683 866 HB3 ASN 108 HB3 ASN 108 -5.554 3.390 -15.044 867 HD21 ASN 108 HD21 ASN 108 -4.719 4.354 -16.928 868 HD22 ASN 108 HD22 ASN 108 -3.018 4.596 -17.134 869 H GLY 109 H GLY 109 -2.397 3.074 -12.570 870 HA2 GLY 109 HA2 GLY 109 -2.008 5.167 -11.505 871 HA3 GLY 109 HA3 GLY 109 -3.738 5.325 -11.252 872 H ASP 110 H ASP 110 -3.212 2.240 -10.471 873 HA ASP 110 HA ASP 110 -3.466 2.697 -7.664 874 HB2 ASP 110 HB2 ASP 110 -4.355 0.749 -9.197 875 HB3 ASP 110 HB3 ASP 110 -2.821 -0.002 -8.776 876 H ILE 111 H ILE 111 -0.799 2.082 -9.753 877 HA ILE 111 HA ILE 111 1.020 1.289 -7.696 878 HB ILE 111 HB ILE 111 1.871 2.453 -10.349 879 HG12 ILE 111 HG12 ILE 111 0.221 0.716 -10.862 880 HG13 ILE 111 HG13 ILE 111 1.836 0.182 -11.304 881 HG21 ILE 111 HG21 ILE 111 3.158 0.431 -8.506 882 HG22 ILE 111 HG22 ILE 111 3.657 2.106 -8.741 883 HG23 ILE 111 HG23 ILE 111 3.806 0.949 -10.063 884 HD11 ILE 111 HD11 ILE 111 1.926 -1.189 -9.276 885 HD12 ILE 111 HD12 ILE 111 0.554 -1.617 -10.300 886 HD13 ILE 111 HD13 ILE 111 0.303 -0.648 -8.848 887 H LYS 112 H LYS 112 -0.050 4.401 -9.018 888 HA LYS 112 HA LYS 112 2.141 5.862 -7.844 889 HB2 LYS 112 HB2 LYS 112 -0.351 6.661 -9.270 890 HB3 LYS 112 HB3 LYS 112 0.512 7.859 -8.315 891 HG2 LYS 112 HG2 LYS 112 2.527 7.475 -9.615 892 HG3 LYS 112 HG3 LYS 112 1.701 6.229 -10.551 893 HD2 LYS 112 HD2 LYS 112 0.899 9.138 -10.428 894 HD3 LYS 112 HD3 LYS 112 1.817 8.390 -11.739 895 HE2 LYS 112 HE2 LYS 112 -0.046 6.919 -12.243 896 HE3 LYS 112 HE3 LYS 112 -0.955 7.563 -10.877 897 HZ1 LYS 112 HZ1 LYS 112 -1.733 8.592 -12.850 898 HZ2 LYS 112 HZ2 LYS 112 -0.167 9.011 -13.340 899 HZ3 LYS 112 HZ3 LYS 112 -0.853 9.754 -11.987 900 H LYS 113 H LYS 113 -1.181 5.111 -6.805 901 HA LYS 113 HA LYS 113 -1.020 6.656 -4.407 902 HB2 LYS 113 HB2 LYS 113 -2.893 5.346 -3.565 903 HB3 LYS 113 HB3 LYS 113 -3.200 5.813 -5.227 904 HG2 LYS 113 HG2 LYS 113 -2.875 3.642 -6.024 905 HG3 LYS 113 HG3 LYS 113 -2.054 3.123 -4.557 906 HD2 LYS 113 HD2 LYS 113 -4.155 2.110 -4.428 907 HD3 LYS 113 HD3 LYS 113 -4.307 3.520 -3.387 908 HE2 LYS 113 HE2 LYS 113 -5.183 3.551 -6.264 909 HE3 LYS 113 HE3 LYS 113 -6.244 2.996 -4.972 910 HZ1 LYS 113 HZ1 LYS 113 -5.951 5.178 -3.909 911 HZ2 LYS 113 HZ2 LYS 113 -6.675 5.290 -5.439 912 HZ3 LYS 113 HZ3 LYS 113 -5.042 5.695 -5.243 913 H LEU 114 H LEU 114 0.034 3.521 -5.403 914 HA LEU 114 HA LEU 114 0.749 2.455 -2.909 915 HB2 LEU 114 HB2 LEU 114 0.390 0.975 -4.702 916 HB3 LEU 114 HB3 LEU 114 1.425 1.870 -5.782 917 HG LEU 114 HG LEU 114 2.626 0.373 -3.465 918 HD11 LEU 114 HD11 LEU 114 1.869 -0.752 -6.151 919 HD12 LEU 114 HD12 LEU 114 1.141 -1.190 -4.606 920 HD13 LEU 114 HD13 LEU 114 2.835 -1.567 -4.921 921 HD21 LEU 114 HD21 LEU 114 3.586 0.980 -6.259 922 HD22 LEU 114 HD22 LEU 114 4.496 0.133 -5.006 923 HD23 LEU 114 HD23 LEU 114 4.077 1.835 -4.797 924 H ILE 115 H ILE 115 2.582 4.388 -5.327 925 HA ILE 115 HA ILE 115 5.108 4.193 -4.027 926 HB ILE 115 HB ILE 115 4.220 6.490 -5.808 927 HG12 ILE 115 HG12 ILE 115 3.922 4.432 -7.048 928 HG13 ILE 115 HG13 ILE 115 5.329 5.286 -7.664 929 HG21 ILE 115 HG21 ILE 115 6.264 6.980 -4.577 930 HG22 ILE 115 HG22 ILE 115 6.608 6.777 -6.296 931 HG23 ILE 115 HG23 ILE 115 6.994 5.483 -5.160 932 HD11 ILE 115 HD11 ILE 115 5.367 2.892 -5.834 933 HD12 ILE 115 HD12 ILE 115 6.787 3.744 -6.447 934 HD13 ILE 115 HD13 ILE 115 5.716 2.895 -7.563 935 H SER 116 H SER 116 2.393 6.367 -3.624 936 HA SER 116 HA SER 116 3.557 8.297 -1.967 937 HB2 SER 116 HB2 SER 116 0.723 7.236 -1.954 938 HB3 SER 116 HB3 SER 116 1.252 8.737 -1.197 939 HG SER 116 HG SER 116 1.165 8.091 -3.957 940 H TRP 117 H TRP 117 2.061 5.162 -1.184 941 HA TRP 117 HA TRP 117 2.513 5.509 1.662 942 HB2 TRP 117 HB2 TRP 117 1.515 3.064 0.192 943 HB3 TRP 117 HB3 TRP 117 1.405 3.368 1.922 944 HD1 TRP 117 HD1 TRP 117 0.335 6.421 1.637 945 HE1 TRP 117 HE1 TRP 117 -2.103 6.790 0.915 946 HE3 TRP 117 HE3 TRP 117 -0.597 1.872 -0.511 947 HZ2 TRP 117 HZ2 TRP 117 -4.153 5.361 -0.358 948 HZ3 TRP 117 HZ3 TRP 117 -2.833 1.460 -1.433 949 HH2 TRP 117 HH2 TRP 117 -4.569 3.164 -1.363 950 H TYR 118 H TYR 118 4.063 4.115 -1.009 951 HA TYR 118 HA TYR 118 5.611 2.012 -0.034 952 HB2 TYR 118 HB2 TYR 118 5.099 2.936 -2.396 953 HB3 TYR 118 HB3 TYR 118 6.450 4.012 -2.123 954 HD1 TYR 118 HD1 TYR 118 6.286 0.399 -1.217 955 HD2 TYR 118 HD2 TYR 118 7.831 3.385 -3.816 956 HE1 TYR 118 HE1 TYR 118 7.726 -1.282 -2.283 957 HE2 TYR 118 HE2 TYR 118 9.280 1.738 -4.892 958 HH TYR 118 HH TYR 118 8.917 -1.581 -4.466 959 H ASN 119 H ASN 119 6.296 5.468 -0.325 960 HA ASN 119 HA ASN 119 8.960 5.385 0.612 961 HB2 ASN 119 HB2 ASN 119 7.907 7.237 -0.740 962 HB3 ASN 119 HB3 ASN 119 7.071 7.744 0.725 963 HD21 ASN 119 HD21 ASN 119 10.158 7.452 -0.861 964 HD22 ASN 119 HD22 ASN 119 11.020 8.522 0.184 965 H ILE 120 H ILE 120 5.873 6.067 2.188 966 HA ILE 120 HA ILE 120 6.825 6.799 4.746 967 HB ILE 120 HB ILE 120 4.162 5.511 4.082 968 HG12 ILE 120 HG12 ILE 120 4.757 8.472 4.080 969 HG13 ILE 120 HG13 ILE 120 4.790 7.491 2.617 970 HG21 ILE 120 HG21 ILE 120 4.880 7.468 6.264 971 HG22 ILE 120 HG22 ILE 120 4.642 5.735 6.483 972 HG23 ILE 120 HG23 ILE 120 3.290 6.750 5.975 973 HD11 ILE 120 HD11 ILE 120 2.412 7.895 4.416 974 HD12 ILE 120 HD12 ILE 120 2.444 6.919 2.947 975 HD13 ILE 120 HD13 ILE 120 2.678 8.665 2.851 976 H LEU 121 H LEU 121 5.992 3.709 3.320 977 HA LEU 121 HA LEU 121 5.774 2.215 5.730 978 HB2 LEU 121 HB2 LEU 121 4.865 1.900 3.256 979 HB3 LEU 121 HB3 LEU 121 6.318 0.937 3.099 980 HG LEU 121 HG LEU 121 5.556 -0.559 4.867 981 HD11 LEU 121 HD11 LEU 121 3.087 1.179 4.949 982 HD12 LEU 121 HD12 LEU 121 4.297 1.047 6.227 983 HD13 LEU 121 HD13 LEU 121 3.308 -0.350 5.799 984 HD21 LEU 121 HD21 LEU 121 3.637 -1.496 3.692 985 HD22 LEU 121 HD22 LEU 121 4.908 -0.998 2.576 986 HD23 LEU 121 HD23 LEU 121 3.469 0.001 2.777 987 H VAL 122 H VAL 122 8.274 2.346 3.183 988 HA VAL 122 HA VAL 122 10.049 0.573 4.542 989 HB VAL 122 HB VAL 122 10.834 2.541 2.395 990 HG11 VAL 122 HG11 VAL 122 11.986 -0.135 3.184 991 HG12 VAL 122 HG12 VAL 122 12.709 1.446 3.490 992 HG13 VAL 122 HG13 VAL 122 12.530 0.862 1.835 993 HG21 VAL 122 HG21 VAL 122 9.682 -0.218 2.067 994 HG22 VAL 122 HG22 VAL 122 10.347 0.783 0.775 995 HG23 VAL 122 HG23 VAL 122 8.896 1.301 1.638 996 H ASN 123 H ASN 123 9.576 4.024 4.560 997 HA ASN 123 HA ASN 123 12.025 5.045 5.359 998 HB2 ASN 123 HB2 ASN 123 9.678 6.151 4.783 999 HB3 ASN 123 HB3 ASN 123 9.526 6.184 6.533 1000 HD21 ASN 123 HD21 ASN 123 9.794 8.253 4.449 1001 HD22 ASN 123 HD22 ASN 123 11.090 9.267 4.982 1002 H ASN 124 H ASN 124 9.411 3.768 7.380 1003 HA ASN 124 HA ASN 124 11.045 4.316 9.753 1004 HB2 ASN 124 HB2 ASN 124 8.073 3.783 9.566 1005 HB3 ASN 124 HB3 ASN 124 8.959 4.217 11.027 1006 HD21 ASN 124 HD21 ASN 124 7.527 5.337 8.119 1007 HD22 ASN 124 HD22 ASN 124 7.793 7.029 8.380 1008 H GLY 125 H GLY 125 10.978 1.921 7.817 1009 HA2 GLY 125 HA2 GLY 125 11.254 -0.357 7.876 1010 HA3 GLY 125 HA3 GLY 125 11.748 -0.109 9.541 1011 H ILE 126 H ILE 126 8.654 0.092 7.803 1012 HA ILE 126 HA ILE 126 7.276 -1.130 10.029 1013 HB ILE 126 HB ILE 126 6.219 -0.213 7.338 1014 HG12 ILE 126 HG12 ILE 126 6.093 1.206 10.011 1015 HG13 ILE 126 HG13 ILE 126 7.327 1.531 8.801 1016 HG21 ILE 126 HG21 ILE 126 4.018 -0.200 8.409 1017 HG22 ILE 126 HG22 ILE 126 4.728 -0.841 9.890 1018 HG23 ILE 126 HG23 ILE 126 4.718 -1.819 8.423 1019 HD11 ILE 126 HD11 ILE 126 5.576 3.189 8.722 1020 HD12 ILE 126 HD12 ILE 126 4.367 1.930 8.469 1021 HD13 ILE 126 HD13 ILE 126 5.591 2.238 7.236 1022 H THR 127 H THR 127 6.303 -3.148 10.035 1023 HA THR 127 HA THR 127 7.207 -4.977 7.912 1024 HB THR 127 HB THR 127 8.509 -5.128 10.055 1025 HG1 THR 127 HG1 THR 127 7.020 -7.322 9.064 1026 HG21 THR 127 HG21 THR 127 6.690 -4.653 11.628 1027 HG22 THR 127 HG22 THR 127 7.450 -6.202 11.998 1028 HG23 THR 127 HG23 THR 127 5.894 -6.160 11.171 1029 H GLU 128 H GLU 128 4.547 -3.568 8.681 1030 HA GLU 128 HA GLU 128 2.780 -5.668 9.553 1031 HB2 GLU 128 HB2 GLU 128 2.601 -2.776 8.985 1032 HB3 GLU 128 HB3 GLU 128 1.118 -3.692 8.811 1033 HG2 GLU 128 HG2 GLU 128 1.263 -2.703 11.008 1034 HG3 GLU 128 HG3 GLU 128 1.321 -4.457 11.125 1035 H PHE 129 H PHE 129 4.125 -5.918 6.869 1036 HA PHE 129 HA PHE 129 1.798 -6.660 5.321 1037 HB2 PHE 129 HB2 PHE 129 2.437 -5.405 3.352 1038 HB3 PHE 129 HB3 PHE 129 2.244 -4.303 4.703 1039 HD1 PHE 129 HD1 PHE 129 4.546 -3.800 5.994 1040 HD2 PHE 129 HD2 PHE 129 4.210 -5.102 1.962 1041 HE1 PHE 129 HE1 PHE 129 6.738 -2.841 5.508 1042 HE2 PHE 129 HE2 PHE 129 6.415 -4.140 1.466 1043 HZ PHE 129 HZ PHE 129 7.688 -3.011 3.244 1044 H VAL 130 H VAL 130 4.683 -7.522 6.548 1045 HA VAL 130 HA VAL 130 5.162 -9.606 4.622 1046 HB VAL 130 HB VAL 130 6.302 -7.640 3.611 1047 HG11 VAL 130 HG11 VAL 130 6.938 -6.427 5.597 1048 HG12 VAL 130 HG12 VAL 130 8.352 -6.745 4.590 1049 HG13 VAL 130 HG13 VAL 130 8.073 -7.701 6.048 1050 HG21 VAL 130 HG21 VAL 130 8.421 -8.719 3.104 1051 HG22 VAL 130 HG22 VAL 130 7.101 -9.890 3.112 1052 HG23 VAL 130 HG23 VAL 130 8.212 -9.807 4.480 1053 H GLU 131 H GLU 131 6.680 -11.214 5.398 1054 HA GLU 131 HA GLU 131 7.046 -11.247 8.291 1055 HB2 GLU 131 HB2 GLU 131 7.710 -13.629 7.906 1056 HB3 GLU 131 HB3 GLU 131 6.083 -13.242 7.366 1057 HG2 GLU 131 HG2 GLU 131 6.761 -13.239 5.081 1058 HG3 GLU 131 HG3 GLU 131 8.465 -13.335 5.529 1059 H ALA 132 H ALA 132 8.728 -9.637 6.310 1060 HA ALA 132 HA ALA 132 11.385 -10.737 6.461 1061 HB1 ALA 132 HB1 ALA 132 12.075 -8.601 5.465 1062 HB2 ALA 132 HB2 ALA 132 10.452 -7.955 5.711 1063 HB3 ALA 132 HB3 ALA 132 10.707 -9.294 4.592 1064 HA PRO 133 HA PRO 133 12.483 -8.976 10.446 1065 HB2 PRO 133 HB2 PRO 133 15.264 -8.644 9.705 1066 HB3 PRO 133 HB3 PRO 133 14.535 -9.885 10.723 1067 HG2 PRO 133 HG2 PRO 133 15.614 -10.405 8.276 1068 HG3 PRO 133 HG3 PRO 133 14.300 -11.354 8.992 1069 HD2 PRO 133 HD2 PRO 133 14.157 -9.174 6.940 1070 HD3 PRO 133 HD3 PRO 133 13.299 -10.730 6.987 1071 H ALA 134 H ALA 134 11.452 -6.976 8.758 1072 HA ALA 134 HA ALA 134 13.194 -4.682 8.724 1073 HB1 ALA 134 HB1 ALA 134 11.430 -4.940 7.051 1074 HB2 ALA 134 HB2 ALA 134 11.204 -3.461 7.985 1075 HB3 ALA 134 HB3 ALA 134 10.205 -4.877 8.319 1076 H LEU 135 H LEU 135 10.937 -6.126 10.921 1077 HA LEU 135 HA LEU 135 10.723 -3.844 12.639 1078 HB2 LEU 135 HB2 LEU 135 9.520 -5.224 14.180 1079 HB3 LEU 135 HB3 LEU 135 8.918 -5.522 12.569 1080 HG LEU 135 HG LEU 135 10.879 -7.402 13.888 1081 HD11 LEU 135 HD11 LEU 135 8.971 -7.156 15.374 1082 HD12 LEU 135 HD12 LEU 135 8.962 -8.740 14.599 1083 HD13 LEU 135 HD13 LEU 135 7.870 -7.474 14.034 1084 HD21 LEU 135 HD21 LEU 135 10.573 -7.690 11.478 1085 HD22 LEU 135 HD22 LEU 135 8.827 -7.796 11.704 1086 HD23 LEU 135 HD23 LEU 135 9.881 -9.046 12.368 1087 H GLU 136 H GLU 136 12.228 -3.145 13.838 1088 HA GLU 136 HA GLU 136 14.063 -5.036 15.159 1089 HB2 GLU 136 HB2 GLU 136 14.447 -2.114 14.464 1090 HB3 GLU 136 HB3 GLU 136 15.588 -3.082 15.389 1091 HG2 GLU 136 HG2 GLU 136 16.002 -4.508 13.489 1092 HG3 GLU 136 HG3 GLU 136 14.744 -3.691 12.561 1093 H HIS 137 H HIS 137 12.187 -2.081 15.439 1094 HA HIS 137 HA HIS 137 12.051 -2.236 18.325 1095 HB2 HIS 137 HB2 HIS 137 12.074 -0.026 17.259 1096 HB3 HIS 137 HB3 HIS 137 10.650 -0.435 16.317 1097 HD1 HIS 137 HD1 HIS 137 11.705 0.478 19.820 1098 HD2 HIS 137 HD2 HIS 137 8.222 -0.045 17.610 1099 HE1 HIS 137 HE1 HIS 137 9.845 1.347 21.267 1100 HE2 HIS 137 HE2 HIS 137 7.799 1.256 19.802 1101 H HIS 138 H HIS 138 10.732 -3.562 19.307 1102 HA HIS 138 HA HIS 138 8.136 -4.094 18.064 1103 HB2 HIS 138 HB2 HIS 138 8.186 -6.250 19.591 1104 HB3 HIS 138 HB3 HIS 138 8.911 -6.249 17.997 1105 HD1 HIS 138 HD1 HIS 138 9.760 -6.519 21.637 1106 HD2 HIS 138 HD2 HIS 138 11.705 -6.541 17.958 1107 HE1 HIS 138 HE1 HIS 138 12.089 -7.322 22.106 1108 HE2 HIS 138 HE2 HIS 138 13.260 -7.313 19.881 1109 H HIS 139 H HIS 139 9.730 -4.163 21.260 1110 HA HIS 139 HA HIS 139 9.059 -3.628 23.354 1111 HB2 HIS 139 HB2 HIS 139 9.153 -1.366 22.105 1112 HB3 HIS 139 HB3 HIS 139 7.397 -1.429 22.123 1113 HD1 HIS 139 HD1 HIS 139 6.346 -0.317 24.061 1114 HD2 HIS 139 HD2 HIS 139 10.228 -1.552 24.896 1115 HE1 HIS 139 HE1 HIS 139 6.838 0.526 26.378 1116 HE2 HIS 139 HE2 HIS 139 9.134 -0.351 26.920 1117 H HIS 140 H HIS 140 7.607 -5.711 22.314 1118 HA HIS 140 HA HIS 140 4.778 -5.122 22.718 1119 HB2 HIS 140 HB2 HIS 140 5.729 -6.272 20.619 1120 HB3 HIS 140 HB3 HIS 140 5.942 -7.689 21.638 1121 HD1 HIS 140 HD1 HIS 140 4.039 -9.252 21.643 1122 HD2 HIS 140 HD2 HIS 140 2.873 -5.407 20.587 1123 HE1 HIS 140 HE1 HIS 140 1.617 -9.439 20.994 1124 HE2 HIS 140 HE2 HIS 140 0.993 -7.135 20.180 1125 H HIS 141 H HIS 141 4.643 -5.068 24.907 1126 HA HIS 141 HA HIS 141 5.748 -7.159 26.558 1127 HB2 HIS 141 HB2 HIS 141 5.602 -4.717 27.208 1128 HB3 HIS 141 HB3 HIS 141 3.865 -4.926 27.352 1129 HD1 HIS 141 HD1 HIS 141 3.069 -5.468 29.628 1130 HD2 HIS 141 HD2 HIS 141 7.042 -6.553 29.077 1131 HE1 HIS 141 HE1 HIS 141 3.873 -6.260 31.878 1132 HE2 HIS 141 HE2 HIS 141 6.313 -6.790 31.551 1133 H HIS 142 H HIS 142 2.568 -6.159 25.390 1134 HA HIS 142 HA HIS 142 1.567 -8.841 25.934 1135 HB2 HIS 142 HB2 HIS 142 0.912 -7.339 27.859 1136 HB3 HIS 142 HB3 HIS 142 -0.015 -6.378 26.714 1137 HD1 HIS 142 HD1 HIS 142 -2.386 -7.030 26.479 1138 HD2 HIS 142 HD2 HIS 142 -0.044 -10.146 27.918 1139 HE1 HIS 142 HE1 HIS 142 -3.984 -8.909 26.967 1140 HE2 HIS 142 HE2 HIS 142 -2.566 -10.722 27.988
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