NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575965 | 2mm3 | 19843 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -25.214 11.532 12.884 2 H2 ALA 1 H2 ALA 1 -24.583 10.087 13.340 3 H3 ALA 1 H3 ALA 1 -23.662 11.138 12.454 4 HA ALA 1 HA ALA 1 -24.695 11.740 15.138 5 HB1 ALA 1 HB1 ALA 1 -21.920 10.750 14.347 6 HB2 ALA 1 HB2 ALA 1 -23.128 9.856 15.300 7 HB3 ALA 1 HB3 ALA 1 -22.404 11.338 15.952 8 H PHE 2 H PHE 2 -25.324 13.717 14.467 9 HA PHE 2 HA PHE 2 -23.455 15.525 13.119 10 HB2 PHE 2 HB2 PHE 2 -26.381 15.665 13.876 11 HB3 PHE 2 HB3 PHE 2 -25.468 17.013 13.201 12 HD1 PHE 2 HD1 PHE 2 -24.156 16.804 11.113 13 HD2 PHE 2 HD2 PHE 2 -27.291 14.082 12.314 14 HE1 PHE 2 HE1 PHE 2 -24.589 16.250 8.762 15 HE2 PHE 2 HE2 PHE 2 -27.721 13.560 9.923 16 HZ PHE 2 HZ PHE 2 -26.382 14.671 8.150 17 H THR 3 H THR 3 -23.613 14.713 16.215 18 HA THR 3 HA THR 3 -24.180 16.905 17.754 19 HB THR 3 HB THR 3 -21.978 14.891 18.239 20 HG1 THR 3 HG1 THR 3 -23.839 13.807 19.280 21 HG21 THR 3 HG21 THR 3 -23.742 16.330 20.249 22 HG22 THR 3 HG22 THR 3 -21.993 16.527 20.036 23 HG23 THR 3 HG23 THR 3 -22.648 14.990 20.607 24 H GLY 4 H GLY 4 -23.163 18.714 18.629 25 HA2 GLY 4 HA2 GLY 4 -20.579 19.264 19.089 26 HA3 GLY 4 HA3 GLY 4 -20.683 19.653 17.341 27 H LYS 5 H LYS 5 -19.831 21.714 18.191 28 HA LYS 5 HA LYS 5 -22.166 23.533 18.611 29 HB2 LYS 5 HB2 LYS 5 -19.986 23.315 20.326 30 HB3 LYS 5 HB3 LYS 5 -19.423 24.564 19.258 31 HG2 LYS 5 HG2 LYS 5 -21.880 24.563 21.011 32 HG3 LYS 5 HG3 LYS 5 -20.418 25.487 21.268 33 HD2 LYS 5 HD2 LYS 5 -22.373 25.949 19.010 34 HD3 LYS 5 HD3 LYS 5 -22.434 26.801 20.526 35 HE2 LYS 5 HE2 LYS 5 -20.262 26.918 18.414 36 HE3 LYS 5 HE3 LYS 5 -21.556 28.082 18.612 37 HZ1 LYS 5 HZ1 LYS 5 -20.698 28.630 20.811 38 HZ2 LYS 5 HZ2 LYS 5 -19.570 28.913 19.658 39 HZ3 LYS 5 HZ3 LYS 5 -19.438 27.586 20.622 40 H PHE 6 H PHE 6 -22.494 24.843 16.886 41 HA PHE 6 HA PHE 6 -20.360 25.065 14.786 42 HB2 PHE 6 HB2 PHE 6 -23.322 24.572 14.351 43 HB3 PHE 6 HB3 PHE 6 -22.036 24.487 13.163 44 HD1 PHE 6 HD2 PHE 6 -20.402 22.695 13.230 45 HD2 PHE 6 HD1 PHE 6 -23.895 22.584 15.681 46 HE1 PHE 6 HE2 PHE 6 -20.014 20.240 13.693 47 HE2 PHE 6 HE1 PHE 6 -23.604 20.148 16.008 48 HZ PHE 6 HZ PHE 6 -21.660 18.981 15.015 49 H GLU 7 H GLU 7 -20.224 27.194 13.789 50 HA GLU 7 HA GLU 7 -22.164 29.145 14.811 51 HB2 GLU 7 HB2 GLU 7 -19.378 29.603 13.709 52 HB3 GLU 7 HB3 GLU 7 -20.780 30.863 14.018 53 HG2 GLU 7 HG2 GLU 7 -20.688 30.390 16.339 54 HG3 GLU 7 HG3 GLU 7 -19.542 28.975 16.005 55 H MET 8 H MET 8 -23.623 30.115 13.110 56 HA MET 8 HA MET 8 -23.135 29.164 10.432 57 HB2 MET 8 HB2 MET 8 -25.257 29.111 11.383 58 HB3 MET 8 HB3 MET 8 -25.375 30.845 11.719 59 HG2 MET 8 HG2 MET 8 -25.189 31.096 9.080 60 HG3 MET 8 HG3 MET 8 -25.245 29.391 9.030 61 HE1 MET 8 HE1 MET 8 -27.258 32.611 9.704 62 HE2 MET 8 HE2 MET 8 -26.978 32.018 11.327 63 HE3 MET 8 HE3 MET 8 -28.700 32.120 10.599 64 H GLU 9 H GLU 9 -22.741 30.399 8.705 65 HA GLU 9 HA GLU 9 -22.709 33.267 8.559 66 HB2 GLU 9 HB2 GLU 9 -20.471 32.739 9.534 67 HB3 GLU 9 HB3 GLU 9 -20.154 31.574 8.203 68 HG2 GLU 9 HG2 GLU 9 -20.147 33.514 6.526 69 HG3 GLU 9 HG3 GLU 9 -20.711 34.562 7.835 70 H SER 10 H SER 10 -24.432 32.298 7.211 71 HA SER 10 HA SER 10 -23.944 33.029 4.663 72 HB2 SER 10 HB2 SER 10 -22.709 30.811 4.275 73 HB3 SER 10 HB3 SER 10 -24.237 29.990 4.613 74 HG SER 10 HG SER 10 -23.446 31.568 2.458 75 H GLU 11 H GLU 11 -25.983 33.767 4.097 76 HA GLU 11 HA GLU 11 -28.178 32.040 4.495 77 HB2 GLU 11 HB2 GLU 11 -28.606 34.945 5.040 78 HB3 GLU 11 HB3 GLU 11 -29.521 33.443 5.655 79 HG2 GLU 11 HG2 GLU 11 -28.595 34.409 7.559 80 HG3 GLU 11 HG3 GLU 11 -27.516 32.974 7.148 81 H LYS 12 H LYS 12 -29.043 31.653 2.558 82 HA LYS 12 HA LYS 12 -28.933 33.836 0.501 83 HB2 LYS 12 HB2 LYS 12 -27.290 32.112 0.109 84 HB3 LYS 12 HB3 LYS 12 -28.477 30.835 0.333 85 HG2 LYS 12 HG2 LYS 12 -27.874 31.136 -2.014 86 HG3 LYS 12 HG3 LYS 12 -29.598 31.396 -1.751 87 HD2 LYS 12 HD2 LYS 12 -29.319 33.818 -1.905 88 HD3 LYS 12 HD3 LYS 12 -27.547 33.644 -1.970 89 HE2 LYS 12 HE2 LYS 12 -27.710 32.407 -4.078 90 HE3 LYS 12 HE3 LYS 12 -29.475 32.424 -3.998 91 HZ1 LYS 12 HZ1 LYS 12 -28.601 34.161 -5.468 92 HZ2 LYS 12 HZ2 LYS 12 -27.776 34.846 -4.222 93 HZ3 LYS 12 HZ3 LYS 12 -29.421 34.829 -4.211 94 H ASN 13 H ASN 13 -30.871 34.583 -0.046 95 HA ASN 13 HA ASN 13 -33.119 34.820 -0.405 96 HB2 ASN 13 HB2 ASN 13 -32.747 32.653 -1.733 97 HB3 ASN 13 HB3 ASN 13 -33.413 31.802 -0.339 98 HD21 ASN 13 HD21 ASN 13 -35.039 30.996 -1.668 99 HD22 ASN 13 HD22 ASN 13 -36.328 32.066 -2.271 100 H TYR 14 H TYR 14 -32.042 34.736 2.296 101 HA TYR 14 HA TYR 14 -33.500 33.201 4.136 102 HB2 TYR 14 HB2 TYR 14 -32.096 34.311 5.805 103 HB3 TYR 14 HB3 TYR 14 -31.060 33.972 4.350 104 HD1 TYR 14 HD2 TYR 14 -30.277 35.712 2.836 105 HD2 TYR 14 HD1 TYR 14 -32.573 36.746 6.336 106 HE1 TYR 14 HE2 TYR 14 -29.827 38.271 2.483 107 HE2 TYR 14 HE1 TYR 14 -32.054 39.076 5.926 108 HH TYR 14 HH TYR 14 -31.298 40.513 4.280 109 H ASP 15 H ASP 15 -33.873 36.684 3.545 110 HA ASP 15 HA ASP 15 -35.879 37.018 5.512 111 HB2 ASP 15 HB2 ASP 15 -35.096 38.676 3.121 112 HB3 ASP 15 HB3 ASP 15 -36.488 39.095 4.101 113 H GLU 16 H GLU 16 -36.275 36.138 2.101 114 HA GLU 16 HA GLU 16 -39.192 36.094 2.289 115 HB2 GLU 16 HB2 GLU 16 -37.271 35.102 0.151 116 HB3 GLU 16 HB3 GLU 16 -39.018 34.968 0.036 117 HG2 GLU 16 HG2 GLU 16 -37.459 37.569 0.230 118 HG3 GLU 16 HG3 GLU 16 -38.208 36.902 -1.215 119 H PHE 17 H PHE 17 -36.646 33.617 2.219 120 HA PHE 17 HA PHE 17 -38.332 31.382 2.354 121 HB2 PHE 17 HB2 PHE 17 -36.031 31.151 1.779 122 HB3 PHE 17 HB3 PHE 17 -35.511 31.840 3.306 123 HD1 PHE 17 HD2 PHE 17 -35.465 30.529 5.386 124 HD2 PHE 17 HD1 PHE 17 -36.714 28.807 1.641 125 HE1 PHE 17 HE2 PHE 17 -35.202 28.240 6.329 126 HE2 PHE 17 HE1 PHE 17 -36.428 26.533 2.586 127 HZ PHE 17 HZ PHE 17 -35.681 26.259 4.950 128 H MET 18 H MET 18 -37.091 33.325 5.152 129 HA MET 18 HA MET 18 -38.272 31.398 6.956 130 HB2 MET 18 HB2 MET 18 -37.125 34.075 7.573 131 HB3 MET 18 HB3 MET 18 -37.780 32.963 8.801 132 HG2 MET 18 HG2 MET 18 -35.591 32.228 6.905 133 HG3 MET 18 HG3 MET 18 -35.249 32.732 8.564 134 HE1 MET 18 HE1 MET 18 -33.988 30.930 8.775 135 HE2 MET 18 HE2 MET 18 -34.259 29.658 7.574 136 HE3 MET 18 HE3 MET 18 -34.450 29.307 9.368 137 H LYS 19 H LYS 19 -39.444 34.443 5.543 138 HA LYS 19 HA LYS 19 -41.729 34.721 7.182 139 HB2 LYS 19 HB2 LYS 19 -40.790 35.676 4.419 140 HB3 LYS 19 HB3 LYS 19 -42.540 35.974 4.873 141 HG2 LYS 19 HG2 LYS 19 -41.693 37.167 6.819 142 HG3 LYS 19 HG3 LYS 19 -39.975 37.079 6.261 143 HD2 LYS 19 HD2 LYS 19 -42.492 38.074 4.821 144 HD3 LYS 19 HD3 LYS 19 -41.400 39.278 5.684 145 HE2 LYS 19 HE2 LYS 19 -39.988 39.470 3.991 146 HE3 LYS 19 HE3 LYS 19 -39.886 37.645 3.755 147 HZ1 LYS 19 HZ1 LYS 19 -40.732 38.515 1.816 148 HZ2 LYS 19 HZ2 LYS 19 -41.891 39.472 2.429 149 HZ3 LYS 19 HZ3 LYS 19 -42.069 37.764 2.478 150 H LEU 20 H LEU 20 -41.272 33.082 3.951 151 HA LEU 20 HA LEU 20 -43.980 32.405 3.708 152 HB2 LEU 20 HB2 LEU 20 -41.442 30.914 2.831 153 HB3 LEU 20 HB3 LEU 20 -43.093 30.579 2.292 154 HG LEU 20 HG LEU 20 -41.879 33.344 1.763 155 HD11 LEU 20 HD11 LEU 20 -41.710 31.135 -0.257 156 HD12 LEU 20 HD12 LEU 20 -40.350 31.884 0.679 157 HD13 LEU 20 HD13 LEU 20 -41.258 32.909 -0.420 158 HD21 LEU 20 HD21 LEU 20 -43.812 33.361 -0.048 159 HD22 LEU 20 HD22 LEU 20 -44.431 33.087 1.672 160 HD23 LEU 20 HD23 LEU 20 -44.140 31.743 0.431 161 H LEU 21 H LEU 21 -41.345 30.890 5.562 162 HA LEU 21 HA LEU 21 -42.958 28.567 6.116 163 HB2 LEU 21 HB2 LEU 21 -40.342 29.808 7.115 164 HB3 LEU 21 HB3 LEU 21 -40.909 28.320 7.971 165 HG LEU 21 HG LEU 21 -40.808 28.403 5.000 166 HD11 LEU 21 HD11 LEU 21 -38.732 27.062 5.054 167 HD12 LEU 21 HD12 LEU 21 -38.600 27.360 6.769 168 HD13 LEU 21 HD13 LEU 21 -38.594 28.792 5.692 169 HD21 LEU 21 HD21 LEU 21 -42.338 26.802 5.682 170 HD22 LEU 21 HD22 LEU 21 -41.307 26.084 7.024 171 HD23 LEU 21 HD23 LEU 21 -40.849 25.834 5.283 172 H GLY 22 H GLY 22 -42.589 31.683 7.786 173 HA2 GLY 22 HA2 GLY 22 -44.628 32.337 8.714 174 HA3 GLY 22 HA3 GLY 22 -44.708 30.932 9.798 175 H ILE 23 H ILE 23 -41.749 32.805 9.096 176 HA ILE 23 HA ILE 23 -41.840 33.609 11.963 177 HB ILE 23 HB ILE 23 -39.516 33.985 10.052 178 HG12 ILE 23 HG12 ILE 23 -40.322 31.606 11.714 179 HG13 ILE 23 HG13 ILE 23 -39.771 31.635 10.055 180 HG21 ILE 23 HG21 ILE 23 -38.259 34.315 12.111 181 HG22 ILE 23 HG22 ILE 23 -39.696 33.944 13.097 182 HG23 ILE 23 HG23 ILE 23 -39.627 35.423 12.098 183 HD11 ILE 23 HD11 ILE 23 -37.454 32.266 10.980 184 HD12 ILE 23 HD12 ILE 23 -38.051 30.621 11.268 185 HD13 ILE 23 HD13 ILE 23 -38.126 31.812 12.573 186 H SER 24 H SER 24 -42.825 35.577 12.326 187 HA SER 24 HA SER 24 -43.544 37.447 10.472 188 HB2 SER 24 HB2 SER 24 -43.357 38.261 13.420 189 HB3 SER 24 HB3 SER 24 -44.162 38.913 11.998 190 HG SER 24 HG SER 24 -45.548 37.607 13.104 191 H SER 25 H SER 25 -41.146 37.985 13.002 192 HA SER 25 HA SER 25 -39.200 38.982 11.126 193 HB2 SER 25 HB2 SER 25 -40.560 41.035 11.781 194 HB3 SER 25 HB3 SER 25 -40.113 40.883 13.470 195 HG SER 25 HG SER 25 -38.828 42.099 12.897 196 H ASP 26 H ASP 26 -40.152 37.528 14.131 197 HA ASP 26 HA ASP 26 -38.118 38.339 15.713 198 HB2 ASP 26 HB2 ASP 26 -40.056 37.342 16.624 199 HB3 ASP 26 HB3 ASP 26 -39.668 35.783 15.884 200 H VAL 27 H VAL 27 -37.802 35.135 13.997 201 HA VAL 27 HA VAL 27 -35.036 35.044 14.972 202 HB VAL 27 HB VAL 27 -36.419 33.224 12.990 203 HG11 VAL 27 HG11 VAL 27 -33.851 33.161 12.605 204 HG12 VAL 27 HG12 VAL 27 -34.566 31.664 13.202 205 HG13 VAL 27 HG13 VAL 27 -33.724 32.761 14.323 206 HG21 VAL 27 HG21 VAL 27 -35.809 32.809 16.005 207 HG22 VAL 27 HG22 VAL 27 -36.584 31.636 14.937 208 HG23 VAL 27 HG23 VAL 27 -37.387 33.172 15.496 209 H ILE 28 H ILE 28 -36.482 36.003 11.960 210 HA ILE 28 HA ILE 28 -34.075 35.822 10.450 211 HB ILE 28 HB ILE 28 -35.868 37.818 9.329 212 HG12 ILE 28 HG12 ILE 28 -37.282 35.196 9.889 213 HG13 ILE 28 HG13 ILE 28 -37.628 36.722 10.714 214 HG21 ILE 28 HG21 ILE 28 -35.788 36.208 7.448 215 HG22 ILE 28 HG22 ILE 28 -34.997 35.021 8.495 216 HG23 ILE 28 HG23 ILE 28 -34.203 36.564 8.104 217 HD11 ILE 28 HD11 ILE 28 -38.003 36.226 7.743 218 HD12 ILE 28 HD12 ILE 28 -38.207 37.793 8.565 219 HD13 ILE 28 HD13 ILE 28 -39.247 36.419 8.975 220 H GLU 29 H GLU 29 -35.542 38.619 12.128 221 HA GLU 29 HA GLU 29 -33.647 40.597 11.378 222 HB2 GLU 29 HB2 GLU 29 -35.699 41.087 12.580 223 HB3 GLU 29 HB3 GLU 29 -35.187 40.086 13.943 224 HG2 GLU 29 HG2 GLU 29 -33.317 41.689 14.402 225 HG3 GLU 29 HG3 GLU 29 -33.918 42.725 13.104 226 H LYS 30 H LYS 30 -33.374 37.956 13.646 227 HA LYS 30 HA LYS 30 -30.912 38.953 14.922 228 HB2 LYS 30 HB2 LYS 30 -32.216 36.224 15.232 229 HB3 LYS 30 HB3 LYS 30 -31.174 37.025 16.382 230 HG2 LYS 30 HG2 LYS 30 -33.914 37.920 15.548 231 HG3 LYS 30 HG3 LYS 30 -33.630 36.993 16.981 232 HD2 LYS 30 HD2 LYS 30 -32.323 39.039 17.821 233 HD3 LYS 30 HD3 LYS 30 -32.919 39.901 16.392 234 HE2 LYS 30 HE2 LYS 30 -34.658 38.528 18.500 235 HE3 LYS 30 HE3 LYS 30 -34.337 40.275 18.429 236 HZ1 LYS 30 HZ1 LYS 30 -35.652 38.786 16.235 237 HZ2 LYS 30 HZ2 LYS 30 -35.549 40.442 16.434 238 HZ3 LYS 30 HZ3 LYS 30 -36.478 39.507 17.425 239 H ALA 31 H ALA 31 -31.849 36.226 12.687 240 HA ALA 31 HA ALA 31 -29.284 35.374 12.296 241 HB1 ALA 31 HB1 ALA 31 -31.695 35.421 10.245 242 HB2 ALA 31 HB2 ALA 31 -31.428 34.167 11.539 243 HB3 ALA 31 HB3 ALA 31 -30.358 34.297 10.139 244 H ARG 32 H ARG 32 -30.992 37.687 10.372 245 HA ARG 32 HA ARG 32 -29.014 38.099 8.246 246 HB2 ARG 32 HB2 ARG 32 -29.944 39.909 7.500 247 HB3 ARG 32 HB3 ARG 32 -31.283 38.872 8.120 248 HG2 ARG 32 HG2 ARG 32 -31.959 40.206 9.697 249 HG3 ARG 32 HG3 ARG 32 -30.306 41.122 9.791 250 HD2 ARG 32 HD2 ARG 32 -30.785 42.227 7.752 251 HD3 ARG 32 HD3 ARG 32 -32.306 41.297 7.473 252 HE ARG 32 HE ARG 32 -31.868 43.541 9.443 253 HH11 ARG 32 HH11 ARG 32 -34.141 41.187 8.298 254 HH12 ARG 32 HH12 ARG 32 -35.437 42.007 9.065 255 HH21 ARG 32 HH21 ARG 32 -33.483 44.216 10.752 256 HH22 ARG 32 HH22 ARG 32 -35.013 43.652 10.544 257 H ASN 33 H ASN 33 -29.205 39.751 11.544 258 HA ASN 33 HA ASN 33 -26.855 41.294 10.853 259 HB2 ASN 33 HB2 ASN 33 -28.854 41.107 13.215 260 HB3 ASN 33 HB3 ASN 33 -27.386 41.937 13.448 261 HD21 ASN 33 HD21 ASN 33 -30.622 42.457 12.447 262 HD22 ASN 33 HD22 ASN 33 -30.254 43.864 11.448 263 H PHE 34 H PHE 34 -27.664 38.935 13.414 264 HA PHE 34 HA PHE 34 -24.869 38.828 14.305 265 HB2 PHE 34 HB2 PHE 34 -26.225 39.271 16.073 266 HB3 PHE 34 HB3 PHE 34 -27.516 38.260 15.473 267 HD1 PHE 34 HD1 PHE 34 -27.396 35.745 15.658 268 HD2 PHE 34 HD2 PHE 34 -24.685 38.382 17.721 269 HE1 PHE 34 HE1 PHE 34 -26.819 33.915 17.248 270 HE2 PHE 34 HE2 PHE 34 -24.155 36.572 19.332 271 HZ PHE 34 HZ PHE 34 -25.214 34.337 19.095 272 H LYS 35 H LYS 35 -26.966 36.800 12.559 273 HA LYS 35 HA LYS 35 -27.052 34.687 11.950 274 HB2 LYS 35 HB2 LYS 35 -24.927 33.665 11.037 275 HB3 LYS 35 HB3 LYS 35 -25.721 34.997 10.256 276 HG2 LYS 35 HG2 LYS 35 -23.299 35.354 12.038 277 HG3 LYS 35 HG3 LYS 35 -23.175 34.982 10.336 278 HD2 LYS 35 HD2 LYS 35 -24.576 37.509 11.295 279 HD3 LYS 35 HD3 LYS 35 -22.858 37.391 11.023 280 HE2 LYS 35 HE2 LYS 35 -23.715 38.390 9.102 281 HE3 LYS 35 HE3 LYS 35 -23.320 36.728 8.633 282 HZ1 LYS 35 HZ1 LYS 35 -26.080 37.699 9.256 283 HZ2 LYS 35 HZ2 LYS 35 -25.639 36.180 8.697 284 HZ3 LYS 35 HZ3 LYS 35 -25.506 37.397 7.758 285 H ILE 36 H ILE 36 -27.897 33.386 13.244 286 HA ILE 36 HA ILE 36 -27.705 32.531 15.565 287 HB ILE 36 HB ILE 36 -28.415 30.592 13.410 288 HG12 ILE 36 HG12 ILE 36 -29.277 32.616 12.430 289 HG13 ILE 36 HG13 ILE 36 -30.545 31.597 13.161 290 HG21 ILE 36 HG21 ILE 36 -29.251 31.307 16.307 291 HG22 ILE 36 HG22 ILE 36 -28.844 29.733 15.570 292 HG23 ILE 36 HG23 ILE 36 -30.368 30.344 15.144 293 HD11 ILE 36 HD11 ILE 36 -30.850 34.078 13.606 294 HD12 ILE 36 HD12 ILE 36 -29.380 34.000 14.709 295 HD13 ILE 36 HD13 ILE 36 -30.743 33.125 15.181 296 H VAL 37 H VAL 37 -27.042 30.706 16.943 297 HA VAL 37 HA VAL 37 -24.736 29.287 16.012 298 HB VAL 37 HB VAL 37 -23.967 29.161 18.516 299 HG11 VAL 37 HG11 VAL 37 -24.207 31.981 17.233 300 HG12 VAL 37 HG12 VAL 37 -22.911 30.773 17.006 301 HG13 VAL 37 HG13 VAL 37 -23.127 31.545 18.652 302 HG21 VAL 37 HG21 VAL 37 -25.595 31.531 19.180 303 HG22 VAL 37 HG22 VAL 37 -25.190 30.095 20.256 304 HG23 VAL 37 HG23 VAL 37 -26.511 29.974 19.186 305 H THR 38 H THR 38 -24.610 27.109 17.040 306 HA THR 38 HA THR 38 -27.037 26.246 18.461 307 HB THR 38 HB THR 38 -27.389 25.896 15.943 308 HG1 THR 38 HG1 THR 38 -28.272 24.487 17.882 309 HG21 THR 38 HG21 THR 38 -25.074 24.978 15.582 310 HG22 THR 38 HG22 THR 38 -26.351 23.868 15.052 311 HG23 THR 38 HG23 THR 38 -25.544 23.553 16.543 312 H GLU 39 H GLU 39 -27.026 24.314 19.565 313 HA GLU 39 HA GLU 39 -24.477 22.796 19.732 314 HB2 GLU 39 HB2 GLU 39 -26.313 23.006 22.118 315 HB3 GLU 39 HB3 GLU 39 -24.615 22.580 22.024 316 HG2 GLU 39 HG2 GLU 39 -24.618 24.695 23.044 317 HG3 GLU 39 HG3 GLU 39 -24.146 25.030 21.384 318 H VAL 40 H VAL 40 -24.826 20.851 18.908 319 HA VAL 40 HA VAL 40 -27.613 19.772 18.655 320 HB VAL 40 HB VAL 40 -25.123 19.049 17.101 321 HG11 VAL 40 HG11 VAL 40 -26.682 17.185 17.030 322 HG12 VAL 40 HG12 VAL 40 -26.702 18.008 15.487 323 HG13 VAL 40 HG13 VAL 40 -28.032 18.281 16.635 324 HG21 VAL 40 HG21 VAL 40 -25.961 20.323 15.287 325 HG22 VAL 40 HG22 VAL 40 -25.920 21.398 16.661 326 HG23 VAL 40 HG23 VAL 40 -27.476 20.724 16.147 327 H GLN 41 H GLN 41 -28.044 17.574 19.180 328 HA GLN 41 HA GLN 41 -25.845 15.955 20.252 329 HB2 GLN 41 HB2 GLN 41 -27.189 17.430 22.104 330 HB3 GLN 41 HB3 GLN 41 -28.302 16.077 21.991 331 HG2 GLN 41 HG2 GLN 41 -25.370 16.094 22.797 332 HG3 GLN 41 HG3 GLN 41 -26.753 15.610 23.770 333 HE21 GLN 41 HE21 GLN 41 -27.875 13.501 23.073 334 HE22 GLN 41 HE22 GLN 41 -26.951 12.364 22.125 335 H GLN 42 H GLN 42 -26.061 13.982 19.266 336 HA GLN 42 HA GLN 42 -28.860 13.096 18.563 337 HB2 GLN 42 HB2 GLN 42 -27.765 13.835 16.502 338 HB3 GLN 42 HB3 GLN 42 -26.345 12.847 16.877 339 HG2 GLN 42 HG2 GLN 42 -27.817 10.786 16.795 340 HG3 GLN 42 HG3 GLN 42 -29.165 11.815 16.335 341 HE21 GLN 42 HE21 GLN 42 -29.019 9.980 14.684 342 HE22 GLN 42 HE22 GLN 42 -28.153 10.381 13.206 343 H ASP 43 H ASP 43 -29.441 11.045 19.524 344 HA ASP 43 HA ASP 43 -27.214 9.403 20.296 345 HB2 ASP 43 HB2 ASP 43 -28.687 10.770 22.077 346 HB3 ASP 43 HB3 ASP 43 -29.942 9.539 21.770 347 H GLY 44 H GLY 44 -27.411 8.737 18.138 348 HA2 GLY 44 HA2 GLY 44 -27.761 7.120 16.700 349 HA3 GLY 44 HA3 GLY 44 -28.925 6.294 17.704 350 H GLN 45 H GLN 45 -30.945 6.371 17.624 351 HA GLN 45 HA GLN 45 -32.190 7.617 15.353 352 HB2 GLN 45 HB2 GLN 45 -32.752 5.296 16.926 353 HB3 GLN 45 HB3 GLN 45 -33.931 6.528 17.456 354 HG2 GLN 45 HG2 GLN 45 -34.935 5.361 15.888 355 HG3 GLN 45 HG3 GLN 45 -34.739 6.992 15.151 356 HE21 GLN 45 HE21 GLN 45 -35.333 5.849 13.141 357 HE22 GLN 45 HE22 GLN 45 -34.301 4.532 12.540 358 H ASP 46 H ASP 46 -32.038 8.293 18.775 359 HA ASP 46 HA ASP 46 -33.993 10.426 18.559 360 HB2 ASP 46 HB2 ASP 46 -32.342 9.367 20.846 361 HB3 ASP 46 HB3 ASP 46 -33.267 10.866 20.948 362 H PHE 47 H PHE 47 -33.720 12.603 18.511 363 HA PHE 47 HA PHE 47 -31.024 13.636 18.047 364 HB2 PHE 47 HB2 PHE 47 -32.169 13.114 15.968 365 HB3 PHE 47 HB3 PHE 47 -33.654 13.888 16.539 366 HD1 PHE 47 HD1 PHE 47 -30.138 14.526 15.488 367 HD2 PHE 47 HD2 PHE 47 -34.015 16.214 16.243 368 HE1 PHE 47 HE1 PHE 47 -29.413 16.657 14.447 369 HE2 PHE 47 HE2 PHE 47 -33.291 18.345 15.203 370 HZ PHE 47 HZ PHE 47 -30.989 18.567 14.305 371 H THR 48 H THR 48 -30.718 15.720 18.807 372 HA THR 48 HA THR 48 -32.971 17.468 19.574 373 HB THR 48 HB THR 48 -30.614 16.652 21.323 374 HG1 THR 48 HG1 THR 48 -32.621 15.529 21.437 375 HG21 THR 48 HG21 THR 48 -30.659 19.060 21.541 376 HG22 THR 48 HG22 THR 48 -31.479 18.375 22.949 377 HG23 THR 48 HG23 THR 48 -32.438 19.074 21.621 378 H TRP 49 H TRP 49 -32.581 19.408 18.482 379 HA TRP 49 HA TRP 49 -29.754 20.312 18.719 380 HB2 TRP 49 HB2 TRP 49 -29.644 21.580 16.896 381 HB3 TRP 49 HB3 TRP 49 -30.291 20.069 16.319 382 HD1 TRP 49 HD1 TRP 49 -32.323 23.192 17.518 383 HE1 TRP 49 HE1 TRP 49 -33.292 24.357 15.484 384 HE3 TRP 49 HE3 TRP 49 -30.504 20.139 13.900 385 HZ2 TRP 49 HZ2 TRP 49 -33.280 24.053 12.622 386 HZ3 TRP 49 HZ3 TRP 49 -30.823 20.715 11.477 387 HH2 TRP 49 HH2 TRP 49 -32.202 22.663 10.837 388 H SER 50 H SER 50 -29.402 22.199 19.583 389 HA SER 50 HA SER 50 -31.713 23.833 20.545 390 HB2 SER 50 HB2 SER 50 -29.046 23.361 21.953 391 HB3 SER 50 HB3 SER 50 -30.287 24.537 22.436 392 HG SER 50 HG SER 50 -30.450 21.732 22.372 393 H GLN 51 H GLN 51 -31.672 25.792 19.586 394 HA GLN 51 HA GLN 51 -29.094 26.832 18.492 395 HB2 GLN 51 HB2 GLN 51 -31.909 27.381 17.607 396 HB3 GLN 51 HB3 GLN 51 -30.491 28.194 16.965 397 HG2 GLN 51 HG2 GLN 51 -29.725 26.310 15.809 398 HG3 GLN 51 HG3 GLN 51 -30.668 25.174 16.778 399 HE21 GLN 51 HE21 GLN 51 -30.711 25.612 13.732 400 HE22 GLN 51 HE22 GLN 51 -32.422 25.954 13.482 401 H HIS 52 H HIS 52 -28.697 29.026 18.754 402 HA HIS 52 HA HIS 52 -30.416 30.522 20.654 403 HB2 HIS 52 HB2 HIS 52 -27.409 30.289 21.054 404 HB3 HIS 52 HB3 HIS 52 -28.459 31.412 21.876 405 HD1 HIS 52 HD1 HIS 52 -27.397 27.698 21.976 406 HD2 HIS 52 HD2 HIS 52 -30.107 30.452 23.745 407 HE1 HIS 52 HE1 HIS 52 -28.413 26.526 23.977 408 H TYR 53 H TYR 53 -30.622 32.614 20.263 409 HA TYR 53 HA TYR 53 -29.042 33.809 18.052 410 HB2 TYR 53 HB2 TYR 53 -31.012 34.730 17.071 411 HB3 TYR 53 HB3 TYR 53 -31.216 32.970 17.244 412 HD1 TYR 53 HD1 TYR 53 -32.221 36.285 18.538 413 HD2 TYR 53 HD2 TYR 53 -32.762 32.038 18.882 414 HE1 TYR 53 HE1 TYR 53 -34.250 36.654 19.915 415 HE2 TYR 53 HE2 TYR 53 -34.791 32.408 20.258 416 HH TYR 53 HH TYR 53 -35.923 35.702 21.022 417 H SER 54 H SER 54 -29.340 36.184 17.907 418 HA SER 54 HA SER 54 -27.696 37.283 19.332 419 HB2 SER 54 HB2 SER 54 -30.431 38.652 18.796 420 HB3 SER 54 HB3 SER 54 -28.878 39.526 18.798 421 HG SER 54 HG SER 54 -29.314 39.142 16.760 422 H GLY 55 H GLY 55 -31.004 37.616 20.739 423 HA2 GLY 55 HA2 GLY 55 -29.842 39.058 23.045 424 HA3 GLY 55 HA3 GLY 55 -31.618 38.802 22.619 425 H GLY 56 H GLY 56 -30.393 35.962 22.256 426 HA2 GLY 56 HA2 GLY 56 -29.322 34.313 23.397 427 HA3 GLY 56 HA3 GLY 56 -29.466 35.342 24.903 428 H HIS 57 H HIS 57 -31.997 34.829 22.588 429 HA HIS 57 HA HIS 57 -33.669 33.207 24.387 430 HB2 HIS 57 HB2 HIS 57 -34.495 34.939 22.605 431 HB3 HIS 57 HB3 HIS 57 -34.133 33.685 21.422 432 HD1 HIS 57 HD1 HIS 57 -36.548 32.952 20.721 433 HD2 HIS 57 HD2 HIS 57 -36.088 33.529 24.859 434 HE1 HIS 57 HE1 HIS 57 -38.716 32.174 21.761 435 H THR 58 H THR 58 -33.864 31.063 24.286 436 HA THR 58 HA THR 58 -32.172 29.415 22.486 437 HB THR 58 HB THR 58 -33.962 28.522 24.775 438 HG1 THR 58 HG1 THR 58 -32.489 29.305 25.977 439 HG21 THR 58 HG21 THR 58 -32.441 26.518 24.750 440 HG22 THR 58 HG22 THR 58 -31.774 27.111 23.208 441 HG23 THR 58 HG23 THR 58 -33.486 26.679 23.333 442 H MET 59 H MET 59 -33.063 28.233 20.728 443 HA MET 59 HA MET 59 -35.965 27.432 21.046 444 HB2 MET 59 HB2 MET 59 -36.147 27.355 18.541 445 HB3 MET 59 HB3 MET 59 -36.224 28.916 19.422 446 HG2 MET 59 HG2 MET 59 -33.511 28.796 18.816 447 HG3 MET 59 HG3 MET 59 -34.084 27.511 17.725 448 HE1 MET 59 HE1 MET 59 -32.113 30.034 16.610 449 HE2 MET 59 HE2 MET 59 -33.028 30.490 15.164 450 HE3 MET 59 HE3 MET 59 -32.646 28.835 15.390 451 H THR 60 H THR 60 -36.140 25.198 20.969 452 HA THR 60 HA THR 60 -33.854 23.594 19.962 453 HB THR 60 HB THR 60 -33.854 22.086 21.737 454 HG1 THR 60 HG1 THR 60 -36.399 22.798 21.894 455 HG21 THR 60 HG21 THR 60 -32.964 24.369 22.468 456 HG22 THR 60 HG22 THR 60 -33.445 23.266 23.757 457 HG23 THR 60 HG23 THR 60 -34.521 24.607 23.299 458 H ASN 61 H ASN 61 -34.505 21.269 19.192 459 HA ASN 61 HA ASN 61 -37.248 20.768 19.568 460 HB2 ASN 61 HB2 ASN 61 -37.052 19.705 17.045 461 HB3 ASN 61 HB3 ASN 61 -37.483 21.441 17.262 462 HD21 ASN 61 HD21 ASN 61 -36.280 22.892 16.424 463 HD22 ASN 61 HD22 ASN 61 -34.664 22.551 15.724 464 H LYS 62 H LYS 62 -37.550 18.494 19.708 465 HA LYS 62 HA LYS 62 -35.143 16.751 19.715 466 HB2 LYS 62 HB2 LYS 62 -37.222 16.761 21.951 467 HB3 LYS 62 HB3 LYS 62 -35.854 15.679 21.755 468 HG2 LYS 62 HG2 LYS 62 -34.881 17.037 23.231 469 HG3 LYS 62 HG3 LYS 62 -34.487 17.996 21.797 470 HD2 LYS 62 HD2 LYS 62 -36.293 19.540 22.247 471 HD3 LYS 62 HD3 LYS 62 -36.915 18.497 23.555 472 HE2 LYS 62 HE2 LYS 62 -34.799 18.741 24.790 473 HE3 LYS 62 HE3 LYS 62 -34.122 19.729 23.490 474 HZ1 LYS 62 HZ1 LYS 62 -36.507 20.496 25.079 475 HZ2 LYS 62 HZ2 LYS 62 -35.744 21.413 23.939 476 HZ3 LYS 62 HZ3 LYS 62 -34.983 21.062 25.345 477 H PHE 63 H PHE 63 -35.604 15.249 18.203 478 HA PHE 63 HA PHE 63 -38.191 13.883 18.481 479 HB2 PHE 63 HB2 PHE 63 -38.681 13.831 16.143 480 HB3 PHE 63 HB3 PHE 63 -38.642 15.486 16.763 481 HD1 PHE 63 HD2 PHE 63 -36.383 16.779 16.437 482 HD2 PHE 63 HD1 PHE 63 -37.525 13.294 14.202 483 HE1 PHE 63 HE2 PHE 63 -34.782 17.401 14.648 484 HE2 PHE 63 HE1 PHE 63 -35.925 13.916 12.413 485 HZ PHE 63 HZ PHE 63 -34.553 15.969 12.636 486 H THR 64 H THR 64 -38.275 11.851 17.149 487 HA THR 64 HA THR 64 -35.643 10.467 17.199 488 HB THR 64 HB THR 64 -38.322 9.137 17.042 489 HG1 THR 64 HG1 THR 64 -36.985 9.251 19.485 490 HG21 THR 64 HG21 THR 64 -37.050 7.143 17.964 491 HG22 THR 64 HG22 THR 64 -35.606 8.069 18.085 492 HG23 THR 64 HG23 THR 64 -36.365 7.703 16.400 493 H VAL 65 H VAL 65 -34.726 10.096 15.226 494 HA VAL 65 HA VAL 65 -36.214 10.947 12.947 495 HB VAL 65 HB VAL 65 -33.714 10.988 13.259 496 HG11 VAL 65 HG11 VAL 65 -32.403 9.156 12.459 497 HG12 VAL 65 HG12 VAL 65 -33.838 8.207 12.009 498 HG13 VAL 65 HG13 VAL 65 -33.460 8.518 13.713 499 HG21 VAL 65 HG21 VAL 65 -33.323 10.964 10.893 500 HG22 VAL 65 HG22 VAL 65 -34.910 11.657 11.197 501 HG23 VAL 65 HG23 VAL 65 -34.777 9.987 10.592 502 H GLY 66 H GLY 66 -37.333 9.913 11.301 503 HA2 GLY 66 HA2 GLY 66 -38.550 8.199 10.357 504 HA3 GLY 66 HA3 GLY 66 -37.807 7.038 11.439 505 H LYS 67 H LYS 67 -39.043 9.489 13.346 506 HA LYS 67 HA LYS 67 -41.747 8.258 13.662 507 HB2 LYS 67 HB2 LYS 67 -39.922 7.860 15.471 508 HB3 LYS 67 HB3 LYS 67 -40.166 9.556 15.903 509 HG2 LYS 67 HG2 LYS 67 -42.504 9.097 16.515 510 HG3 LYS 67 HG3 LYS 67 -42.391 7.475 15.818 511 HD2 LYS 67 HD2 LYS 67 -42.243 7.229 18.200 512 HD3 LYS 67 HD3 LYS 67 -40.651 6.887 17.512 513 HE2 LYS 67 HE2 LYS 67 -40.059 9.334 18.027 514 HE3 LYS 67 HE3 LYS 67 -41.551 9.430 18.960 515 HZ1 LYS 67 HZ1 LYS 67 -40.647 7.783 20.480 516 HZ2 LYS 67 HZ2 LYS 67 -39.440 8.887 20.180 517 HZ3 LYS 67 HZ3 LYS 67 -39.377 7.465 19.465 518 H GLU 68 H GLU 68 -43.261 9.768 14.716 519 HA GLU 68 HA GLU 68 -43.172 12.386 13.321 520 HB2 GLU 68 HB2 GLU 68 -44.151 10.574 12.093 521 HB3 GLU 68 HB3 GLU 68 -45.243 10.156 13.300 522 HG2 GLU 68 HG2 GLU 68 -46.212 12.765 12.994 523 HG3 GLU 68 HG3 GLU 68 -45.201 12.757 11.546 524 H SER 69 H SER 69 -44.736 13.952 14.009 525 HA SER 69 HA SER 69 -45.746 15.354 15.397 526 HB2 SER 69 HB2 SER 69 -47.341 13.473 15.460 527 HB3 SER 69 HB3 SER 69 -46.587 12.905 16.969 528 HG SER 69 HG SER 69 -47.001 14.988 17.814 529 H ASN 70 H ASN 70 -42.923 14.622 16.185 530 HA ASN 70 HA ASN 70 -42.968 15.921 18.894 531 HB2 ASN 70 HB2 ASN 70 -41.130 13.773 17.754 532 HB3 ASN 70 HB3 ASN 70 -40.801 14.674 19.234 533 HD21 ASN 70 HD21 ASN 70 -43.237 12.338 17.810 534 HD22 ASN 70 HD22 ASN 70 -43.675 11.832 19.427 535 H ILE 71 H ILE 71 -42.451 16.772 15.804 536 HA ILE 71 HA ILE 71 -39.704 17.852 16.040 537 HB ILE 71 HB ILE 71 -41.361 17.762 13.513 538 HG12 ILE 71 HG12 ILE 71 -40.013 15.426 13.216 539 HG13 ILE 71 HG13 ILE 71 -40.346 15.308 14.925 540 HG21 ILE 71 HG21 ILE 71 -39.146 18.848 13.533 541 HG22 ILE 71 HG22 ILE 71 -39.217 17.412 12.495 542 HG23 ILE 71 HG23 ILE 71 -38.417 17.310 14.076 543 HD11 ILE 71 HD11 ILE 71 -42.071 14.220 13.601 544 HD12 ILE 71 HD12 ILE 71 -42.357 15.700 12.668 545 HD13 ILE 71 HD13 ILE 71 -42.804 15.633 14.379 546 H GLN 72 H GLN 72 -39.375 20.195 16.107 547 HA GLN 72 HA GLN 72 -41.678 21.865 15.307 548 HB2 GLN 72 HB2 GLN 72 -41.618 23.090 17.314 549 HB3 GLN 72 HB3 GLN 72 -41.750 21.367 17.731 550 HG2 GLN 72 HG2 GLN 72 -39.233 21.359 18.319 551 HG3 GLN 72 HG3 GLN 72 -39.312 23.196 18.053 552 HE21 GLN 72 HE21 GLN 72 -38.601 22.809 20.494 553 HE22 GLN 72 HE22 GLN 72 -40.012 23.030 21.565 554 H THR 73 H THR 73 -41.194 24.095 15.227 555 HA THR 73 HA THR 73 -39.158 24.341 13.357 556 HB THR 73 HB THR 73 -40.066 26.449 12.733 557 HG1 THR 73 HG1 THR 73 -41.491 27.532 13.932 558 HG21 THR 73 HG21 THR 73 -42.251 24.439 13.389 559 HG22 THR 73 HG22 THR 73 -41.256 24.491 11.927 560 HG23 THR 73 HG23 THR 73 -42.403 25.787 12.268 561 H MET 74 H MET 74 -37.943 26.972 13.104 562 HA MET 74 HA MET 74 -36.193 27.394 15.174 563 HB2 MET 74 HB2 MET 74 -37.332 29.383 13.142 564 HB3 MET 74 HB3 MET 74 -35.819 29.497 14.129 565 HG2 MET 74 HG2 MET 74 -36.381 27.633 11.702 566 HG3 MET 74 HG3 MET 74 -35.252 29.068 11.843 567 HE1 MET 74 HE1 MET 74 -34.386 26.279 10.724 568 HE2 MET 74 HE2 MET 74 -32.735 26.253 11.372 569 HE3 MET 74 HE3 MET 74 -33.496 27.777 10.722 570 H GLY 75 H GLY 75 -39.529 28.495 14.607 571 HA2 GLY 75 HA2 GLY 75 -39.417 30.125 16.971 572 HA3 GLY 75 HA3 GLY 75 -40.745 29.853 15.863 573 H GLY 76 H GLY 76 -39.738 26.988 16.477 574 HA2 GLY 76 HA2 GLY 76 -40.268 25.313 17.888 575 HA3 GLY 76 HA3 GLY 76 -40.761 26.600 19.144 576 H LYS 77 H LYS 77 -42.131 25.965 15.996 577 HA LYS 77 HA LYS 77 -44.732 25.431 17.400 578 HB2 LYS 77 HB2 LYS 77 -44.814 27.259 15.558 579 HB3 LYS 77 HB3 LYS 77 -44.104 26.079 14.441 580 HG2 LYS 77 HG2 LYS 77 -46.155 24.554 14.839 581 HG3 LYS 77 HG3 LYS 77 -46.828 25.843 15.755 582 HD2 LYS 77 HD2 LYS 77 -46.622 27.374 13.708 583 HD3 LYS 77 HD3 LYS 77 -45.893 26.006 12.820 584 HE2 LYS 77 HE2 LYS 77 -47.868 24.795 13.093 585 HE3 LYS 77 HE3 LYS 77 -48.930 25.958 13.901 586 HZ1 LYS 77 HZ1 LYS 77 -47.751 26.091 11.219 587 HZ2 LYS 77 HZ2 LYS 77 -48.168 27.547 12.007 588 HZ3 LYS 77 HZ3 LYS 77 -49.352 26.366 11.696 589 H THR 78 H THR 78 -45.354 23.316 17.668 590 HA THR 78 HA THR 78 -43.776 21.306 16.425 591 HB THR 78 HB THR 78 -46.351 20.447 17.590 592 HG1 THR 78 HG1 THR 78 -44.251 21.361 19.231 593 HG21 THR 78 HG21 THR 78 -43.476 19.519 17.995 594 HG22 THR 78 HG22 THR 78 -44.664 18.772 16.906 595 HG23 THR 78 HG23 THR 78 -44.941 18.755 18.651 596 H PHE 79 H PHE 79 -43.935 19.941 14.692 597 HA PHE 79 HA PHE 79 -46.579 19.830 13.340 598 HB2 PHE 79 HB2 PHE 79 -45.490 19.737 11.149 599 HB3 PHE 79 HB3 PHE 79 -45.357 21.265 11.982 600 HD1 PHE 79 HD2 PHE 79 -43.192 22.053 12.949 601 HD2 PHE 79 HD1 PHE 79 -43.509 18.416 10.643 602 HE1 PHE 79 HE2 PHE 79 -40.728 22.024 12.636 603 HE2 PHE 79 HE1 PHE 79 -41.051 18.402 10.328 604 HZ PHE 79 HZ PHE 79 -39.671 20.203 11.332 605 H LYS 80 H LYS 80 -46.755 18.063 11.707 606 HA LYS 80 HA LYS 80 -45.723 15.493 12.852 607 HB2 LYS 80 HB2 LYS 80 -48.399 15.905 11.463 608 HB3 LYS 80 HB3 LYS 80 -47.788 14.430 12.204 609 HG2 LYS 80 HG2 LYS 80 -47.837 15.649 14.443 610 HG3 LYS 80 HG3 LYS 80 -48.631 17.000 13.616 611 HD2 LYS 80 HD2 LYS 80 -50.404 15.391 12.824 612 HD3 LYS 80 HD3 LYS 80 -49.691 14.141 13.851 613 HE2 LYS 80 HE2 LYS 80 -50.719 16.859 14.811 614 HE3 LYS 80 HE3 LYS 80 -51.673 15.373 14.839 615 HZ1 LYS 80 HZ1 LYS 80 -50.080 14.413 16.375 616 HZ2 LYS 80 HZ2 LYS 80 -50.596 15.844 16.993 617 HZ3 LYS 80 HZ3 LYS 80 -49.109 15.690 16.317 618 H ALA 81 H ALA 81 -44.118 14.944 11.499 619 HA ALA 81 HA ALA 81 -45.028 13.704 9.187 620 HB1 ALA 81 HB1 ALA 81 -44.611 15.769 7.962 621 HB2 ALA 81 HB2 ALA 81 -43.439 14.593 7.481 622 HB3 ALA 81 HB3 ALA 81 -42.932 15.854 8.614 623 H THR 82 H THR 82 -42.882 12.752 8.050 624 HA THR 82 HA THR 82 -41.415 11.495 10.236 625 HB THR 82 HB THR 82 -42.280 10.462 7.511 626 HG1 THR 82 HG1 THR 82 -42.632 9.142 9.916 627 HG21 THR 82 HG21 THR 82 -40.422 9.276 9.737 628 HG22 THR 82 HG22 THR 82 -39.902 9.776 8.095 629 HG23 THR 82 HG23 THR 82 -40.967 8.330 8.292 630 H VAL 83 H VAL 83 -39.567 12.272 10.669 631 HA VAL 83 HA VAL 83 -38.024 13.468 8.485 632 HB VAL 83 HB VAL 83 -36.952 12.825 11.138 633 HG11 VAL 83 HG11 VAL 83 -35.349 13.629 9.474 634 HG12 VAL 83 HG12 VAL 83 -35.625 14.950 10.604 635 HG13 VAL 83 HG13 VAL 83 -36.411 14.978 9.036 636 HG21 VAL 83 HG21 VAL 83 -37.798 15.244 11.755 637 HG22 VAL 83 HG22 VAL 83 -38.901 13.892 11.852 638 HG23 VAL 83 HG23 VAL 83 -38.955 14.993 10.474 639 H GLN 84 H GLN 84 -36.439 12.535 7.321 640 HA GLN 84 HA GLN 84 -35.916 9.610 7.835 641 HB2 GLN 84 HB2 GLN 84 -36.087 9.218 5.441 642 HB3 GLN 84 HB3 GLN 84 -37.576 9.763 6.186 643 HG2 GLN 84 HG2 GLN 84 -36.444 12.144 5.251 644 HG3 GLN 84 HG3 GLN 84 -35.994 10.985 4.014 645 HE21 GLN 84 HE21 GLN 84 -38.969 11.963 5.948 646 HE22 GLN 84 HE22 GLN 84 -40.012 11.445 4.642 647 H MET 85 H MET 85 -33.932 8.720 7.279 648 HA MET 85 HA MET 85 -31.733 10.715 7.009 649 HB2 MET 85 HB2 MET 85 -31.639 7.856 8.033 650 HB3 MET 85 HB3 MET 85 -30.228 8.860 7.669 651 HG2 MET 85 HG2 MET 85 -31.077 10.561 9.313 652 HG3 MET 85 HG3 MET 85 -32.373 9.431 9.718 653 HE1 MET 85 HE1 MET 85 -28.512 10.104 9.800 654 HE2 MET 85 HE2 MET 85 -28.483 8.453 9.114 655 HE3 MET 85 HE3 MET 85 -27.903 8.734 10.763 656 H GLU 86 H GLU 86 -30.847 10.854 5.032 657 HA GLU 86 HA GLU 86 -30.412 8.296 3.582 658 HB2 GLU 86 HB2 GLU 86 -30.911 9.347 1.300 659 HB3 GLU 86 HB3 GLU 86 -32.342 8.867 2.233 660 HG2 GLU 86 HG2 GLU 86 -33.005 10.938 2.867 661 HG3 GLU 86 HG3 GLU 86 -31.487 11.730 2.423 662 H GLY 87 H GLY 87 -28.428 7.980 3.505 663 HA2 GLY 87 HA2 GLY 87 -26.249 8.240 3.081 664 HA3 GLY 87 HA3 GLY 87 -26.642 9.993 2.564 665 H GLY 88 H GLY 88 -27.935 9.198 5.432 666 HA2 GLY 88 HA2 GLY 88 -27.304 9.551 7.661 667 HA3 GLY 88 HA3 GLY 88 -25.726 10.140 7.140 668 H LYS 89 H LYS 89 -28.657 11.471 5.724 669 HA LYS 89 HA LYS 89 -27.970 14.162 6.849 670 HB2 LYS 89 HB2 LYS 89 -29.071 13.445 4.166 671 HB3 LYS 89 HB3 LYS 89 -28.506 15.140 4.770 672 HG2 LYS 89 HG2 LYS 89 -26.221 14.398 4.635 673 HG3 LYS 89 HG3 LYS 89 -26.610 12.787 4.203 674 HD2 LYS 89 HD2 LYS 89 -27.515 15.445 2.733 675 HD3 LYS 89 HD3 LYS 89 -26.034 14.474 2.285 676 HE2 LYS 89 HE2 LYS 89 -27.577 12.593 1.747 677 HE3 LYS 89 HE3 LYS 89 -29.005 13.710 1.837 678 HZ1 LYS 89 HZ1 LYS 89 -27.863 15.123 0.210 679 HZ2 LYS 89 HZ2 LYS 89 -28.340 13.598 -0.359 680 HZ3 LYS 89 HZ3 LYS 89 -26.666 14.088 -0.065 681 H LEU 90 H LEU 90 -29.945 15.293 7.560 682 HA LEU 90 HA LEU 90 -32.302 13.447 7.629 683 HB2 LEU 90 HB2 LEU 90 -31.414 15.655 9.459 684 HB3 LEU 90 HB3 LEU 90 -33.114 15.184 9.346 685 HG LEU 90 HG LEU 90 -32.423 12.783 9.762 686 HD11 LEU 90 HD11 LEU 90 -30.325 12.437 11.033 687 HD12 LEU 90 HD12 LEU 90 -29.858 14.119 10.695 688 HD13 LEU 90 HD13 LEU 90 -29.999 12.939 9.370 689 HD21 LEU 90 HD21 LEU 90 -31.925 14.824 11.963 690 HD22 LEU 90 HD22 LEU 90 -32.294 13.103 12.202 691 HD23 LEU 90 HD23 LEU 90 -33.502 14.159 11.470 692 H VAL 91 H VAL 91 -34.203 13.811 6.696 693 HA VAL 91 HA VAL 91 -34.751 16.499 5.485 694 HB VAL 91 HB VAL 91 -34.223 15.556 3.569 695 HG11 VAL 91 HG11 VAL 91 -32.955 13.723 4.376 696 HG12 VAL 91 HG12 VAL 91 -33.891 13.245 2.964 697 HG13 VAL 91 HG13 VAL 91 -34.416 12.742 4.570 698 HG21 VAL 91 HG21 VAL 91 -35.858 14.294 2.311 699 HG22 VAL 91 HG22 VAL 91 -36.609 15.606 3.211 700 HG23 VAL 91 HG23 VAL 91 -36.757 13.921 3.786 701 H VAL 92 H VAL 92 -36.888 17.125 5.330 702 HA VAL 92 HA VAL 92 -38.959 15.111 6.089 703 HB VAL 92 HB VAL 92 -40.458 17.051 6.752 704 HG11 VAL 92 HG11 VAL 92 -39.672 16.970 9.094 705 HG12 VAL 92 HG12 VAL 92 -38.146 16.236 8.533 706 HG13 VAL 92 HG13 VAL 92 -39.684 15.383 8.315 707 HG21 VAL 92 HG21 VAL 92 -39.447 19.048 7.725 708 HG22 VAL 92 HG22 VAL 92 -39.033 18.941 6.005 709 HG23 VAL 92 HG23 VAL 92 -37.828 18.514 7.232 710 H ASN 93 H ASN 93 -40.862 15.345 4.937 711 HA ASN 93 HA ASN 93 -40.770 16.978 2.467 712 HB2 ASN 93 HB2 ASN 93 -41.551 14.038 2.690 713 HB3 ASN 93 HB3 ASN 93 -41.808 15.048 1.267 714 HD21 ASN 93 HD21 ASN 93 -39.813 12.607 2.135 715 HD22 ASN 93 HD22 ASN 93 -38.397 13.164 1.308 716 H PHE 94 H PHE 94 -42.632 17.956 1.999 717 HA PHE 94 HA PHE 94 -45.139 17.408 3.314 718 HB2 PHE 94 HB2 PHE 94 -43.700 20.029 3.545 719 HB3 PHE 94 HB3 PHE 94 -45.428 19.790 3.833 720 HD1 PHE 94 HD1 PHE 94 -46.218 18.479 5.772 721 HD2 PHE 94 HD2 PHE 94 -42.061 19.386 5.180 722 HE1 PHE 94 HE1 PHE 94 -45.756 17.916 8.143 723 HE2 PHE 94 HE2 PHE 94 -41.601 18.822 7.549 724 HZ PHE 94 HZ PHE 94 -43.448 18.088 9.032 725 HA PRO 95 HA PRO 95 -46.558 19.076 -0.687 726 HB2 PRO 95 HB2 PRO 95 -48.438 20.845 1.215 727 HB3 PRO 95 HB3 PRO 95 -48.857 20.063 -0.318 728 HG2 PRO 95 HG2 PRO 95 -49.372 18.929 2.089 729 HG3 PRO 95 HG3 PRO 95 -48.709 17.789 0.796 730 HD2 PRO 95 HD2 PRO 95 -47.172 18.719 3.136 731 HD3 PRO 95 HD3 PRO 95 -47.105 17.309 2.018 732 H ASN 96 H ASN 96 -46.287 21.467 2.002 733 HA ASN 96 HA ASN 96 -45.443 23.529 0.027 734 HB2 ASN 96 HB2 ASN 96 -47.213 23.968 1.836 735 HB3 ASN 96 HB3 ASN 96 -45.870 23.962 2.995 736 HD21 ASN 96 HD21 ASN 96 -46.334 26.276 3.433 737 HD22 ASN 96 HD22 ASN 96 -45.986 27.457 2.180 738 H TYR 97 H TYR 97 -43.805 21.123 1.867 739 HA TYR 97 HA TYR 97 -41.400 22.834 1.825 740 HB2 TYR 97 HB2 TYR 97 -42.534 23.290 4.025 741 HB3 TYR 97 HB3 TYR 97 -42.295 21.601 4.450 742 HD1 TYR 97 HD1 TYR 97 -40.347 24.387 2.965 743 HD2 TYR 97 HD2 TYR 97 -40.370 21.211 5.853 744 HE1 TYR 97 HE1 TYR 97 -38.121 25.138 3.782 745 HE2 TYR 97 HE2 TYR 97 -38.138 21.928 6.644 746 HH TYR 97 HH TYR 97 -36.178 23.519 6.157 747 H HIS 98 H HIS 98 -39.514 21.917 2.200 748 HA HIS 98 HA HIS 98 -39.114 19.071 2.454 749 HB2 HIS 98 HB2 HIS 98 -39.385 18.869 0.081 750 HB3 HIS 98 HB3 HIS 98 -38.463 20.255 -0.366 751 HD1 HIS 98 HD1 HIS 98 -37.921 16.659 0.673 752 HD2 HIS 98 HD2 HIS 98 -35.367 19.871 -0.127 753 HE1 HIS 98 HE1 HIS 98 -35.671 15.822 0.253 754 H GLN 99 H GLN 99 -36.691 18.712 3.208 755 HA GLN 99 HA GLN 99 -34.906 20.587 2.163 756 HB2 GLN 99 HB2 GLN 99 -34.036 21.711 3.992 757 HB3 GLN 99 HB3 GLN 99 -35.776 22.076 4.115 758 HG2 GLN 99 HG2 GLN 99 -36.199 20.793 5.938 759 HG3 GLN 99 HG3 GLN 99 -34.745 19.690 5.748 760 HE21 GLN 99 HE21 GLN 99 -32.883 20.298 7.027 761 HE22 GLN 99 HE22 GLN 99 -32.707 21.888 7.605 762 H THR 100 H THR 100 -32.636 20.225 3.283 763 HA THR 100 HA THR 100 -32.278 17.422 4.209 764 HB THR 100 HB THR 100 -30.290 17.698 2.269 765 HG1 THR 100 HG1 THR 100 -31.420 19.439 1.305 766 HG21 THR 100 HG21 THR 100 -31.487 15.987 1.025 767 HG22 THR 100 HG22 THR 100 -33.010 16.410 1.828 768 HG23 THR 100 HG23 THR 100 -31.683 15.673 2.759 769 H SER 101 H SER 101 -30.238 17.187 5.312 770 HA SER 101 HA SER 101 -28.776 19.554 6.035 771 HB2 SER 101 HB2 SER 101 -31.041 18.284 7.384 772 HB3 SER 101 HB3 SER 101 -29.671 18.107 8.494 773 HG SER 101 HG SER 101 -29.572 20.500 8.420 774 H GLU 102 H GLU 102 -26.638 19.119 6.146 775 HA GLU 102 HA GLU 102 -25.917 16.436 6.783 776 HB2 GLU 102 HB2 GLU 102 -24.836 15.984 4.698 777 HB3 GLU 102 HB3 GLU 102 -26.516 16.715 4.328 778 HG2 GLU 102 HG2 GLU 102 -25.524 18.876 3.858 779 HG3 GLU 102 HG3 GLU 102 -23.887 18.087 3.991 780 H ILE 103 H ILE 103 -23.352 16.059 6.420 781 HA ILE 103 HA ILE 103 -21.926 18.519 7.349 782 HB ILE 103 HB ILE 103 -22.118 16.944 9.190 783 HG12 ILE 103 HG12 ILE 103 -20.076 18.402 8.773 784 HG13 ILE 103 HG13 ILE 103 -19.993 17.143 9.990 785 HG21 ILE 103 HG21 ILE 103 -20.640 14.867 7.550 786 HG22 ILE 103 HG22 ILE 103 -22.322 14.789 8.094 787 HG23 ILE 103 HG23 ILE 103 -21.010 14.780 9.282 788 HD11 ILE 103 HD11 ILE 103 -17.921 17.354 8.714 789 HD12 ILE 103 HD12 ILE 103 -18.758 16.937 7.215 790 HD13 ILE 103 HD13 ILE 103 -18.619 15.743 8.524 791 H VAL 104 H VAL 104 -20.342 19.166 5.855 792 HA VAL 104 HA VAL 104 -19.401 17.042 4.114 793 HB VAL 104 HB VAL 104 -19.696 20.136 3.417 794 HG11 VAL 104 HG11 VAL 104 -18.515 17.678 1.978 795 HG12 VAL 104 HG12 VAL 104 -17.702 19.153 2.252 796 HG13 VAL 104 HG13 VAL 104 -19.160 19.125 1.106 797 HG21 VAL 104 HG21 VAL 104 -21.458 19.434 1.647 798 HG22 VAL 104 HG22 VAL 104 -21.898 18.989 3.358 799 HG23 VAL 104 HG23 VAL 104 -21.233 17.790 2.123 800 H GLY 105 H GLY 105 -17.279 16.539 4.542 801 HA2 GLY 105 HA2 GLY 105 -15.081 16.977 4.930 802 HA3 GLY 105 HA3 GLY 105 -15.300 18.727 4.778 803 H ASP 106 H ASP 106 -15.040 19.825 6.636 804 HA ASP 106 HA ASP 106 -16.017 18.600 9.168 805 HB2 ASP 106 HB2 ASP 106 -14.069 20.918 8.571 806 HB3 ASP 106 HB3 ASP 106 -14.557 20.292 10.240 807 H LYS 107 H LYS 107 -17.033 20.641 6.748 808 HA LYS 107 HA LYS 107 -18.273 22.511 8.651 809 HB2 LYS 107 HB2 LYS 107 -17.906 22.368 5.640 810 HB3 LYS 107 HB3 LYS 107 -18.896 23.666 6.497 811 HG2 LYS 107 HG2 LYS 107 -16.935 24.441 7.655 812 HG3 LYS 107 HG3 LYS 107 -15.796 23.208 6.897 813 HD2 LYS 107 HD2 LYS 107 -16.432 24.285 4.687 814 HD3 LYS 107 HD3 LYS 107 -17.336 25.553 5.562 815 HE2 LYS 107 HE2 LYS 107 -14.323 25.093 5.844 816 HE3 LYS 107 HE3 LYS 107 -15.055 26.166 4.632 817 HZ1 LYS 107 HZ1 LYS 107 -14.970 26.433 7.613 818 HZ2 LYS 107 HZ2 LYS 107 -15.886 27.466 6.704 819 HZ3 LYS 107 HZ3 LYS 107 -14.272 27.372 6.318 820 H LEU 108 H LEU 108 -20.379 23.179 8.368 821 HA LEU 108 HA LEU 108 -22.145 20.779 7.956 822 HB2 LEU 108 HB2 LEU 108 -22.035 23.035 9.991 823 HB3 LEU 108 HB3 LEU 108 -23.493 22.117 9.750 824 HG LEU 108 HG LEU 108 -22.264 21.310 11.658 825 HD11 LEU 108 HD11 LEU 108 -22.133 19.240 9.460 826 HD12 LEU 108 HD12 LEU 108 -23.556 19.647 10.397 827 HD13 LEU 108 HD13 LEU 108 -22.166 18.923 11.210 828 HD21 LEU 108 HD21 LEU 108 -20.002 20.437 9.830 829 HD22 LEU 108 HD22 LEU 108 -19.932 21.830 10.930 830 HD23 LEU 108 HD23 LEU 108 -20.119 20.168 11.542 831 H VAL 109 H VAL 109 -23.852 20.925 6.531 832 HA VAL 109 HA VAL 109 -24.119 23.489 5.140 833 HB VAL 109 HB VAL 109 -23.696 20.850 3.808 834 HG11 VAL 109 HG11 VAL 109 -23.165 23.767 2.935 835 HG12 VAL 109 HG12 VAL 109 -24.788 22.881 2.534 836 HG13 VAL 109 HG13 VAL 109 -23.199 22.262 1.896 837 HG21 VAL 109 HG21 VAL 109 -21.671 22.957 4.669 838 HG22 VAL 109 HG22 VAL 109 -21.339 21.635 3.454 839 HG23 VAL 109 HG23 VAL 109 -21.578 21.211 5.031 840 H GLU 110 H GLU 110 -26.262 23.921 4.545 841 HA GLU 110 HA GLU 110 -28.178 21.610 4.634 842 HB2 GLU 110 HB2 GLU 110 -28.092 22.602 6.767 843 HB3 GLU 110 HB3 GLU 110 -28.354 24.206 6.159 844 HG2 GLU 110 HG2 GLU 110 -30.656 23.618 5.482 845 HG3 GLU 110 HG3 GLU 110 -30.395 21.953 6.025 846 H VAL 111 H VAL 111 -29.877 21.686 3.287 847 HA VAL 111 HA VAL 111 -30.127 24.060 1.587 848 HB VAL 111 HB VAL 111 -28.441 22.690 0.427 849 HG11 VAL 111 HG11 VAL 111 -29.271 20.433 0.933 850 HG12 VAL 111 HG12 VAL 111 -29.107 20.695 -0.803 851 HG13 VAL 111 HG13 VAL 111 -30.721 20.721 -0.067 852 HG21 VAL 111 HG21 VAL 111 -31.061 23.025 -1.097 853 HG22 VAL 111 HG22 VAL 111 -29.420 22.938 -1.775 854 HG23 VAL 111 HG23 VAL 111 -29.872 24.309 -0.761 855 H SER 112 H SER 112 -32.144 24.584 1.177 856 HA SER 112 HA SER 112 -34.283 22.667 2.018 857 HB2 SER 112 HB2 SER 112 -34.007 25.528 2.978 858 HB3 SER 112 HB3 SER 112 -35.218 24.343 3.476 859 HG SER 112 HG SER 112 -33.728 24.132 5.054 860 H THR 113 H THR 113 -36.554 23.315 1.393 861 HA THR 113 HA THR 113 -36.667 24.985 -0.898 862 HB THR 113 HB THR 113 -37.307 22.082 -0.778 863 HG1 THR 113 HG1 THR 113 -36.221 22.383 -2.921 864 HG21 THR 113 HG21 THR 113 -39.283 23.104 -1.775 865 HG22 THR 113 HG22 THR 113 -38.327 22.314 -3.007 866 HG23 THR 113 HG23 THR 113 -38.193 24.068 -3.024 867 H ILE 114 H ILE 114 -38.507 26.290 -0.643 868 HA ILE 114 HA ILE 114 -40.907 25.042 0.656 869 HB ILE 114 HB ILE 114 -40.626 28.023 0.654 870 HG12 ILE 114 HG12 ILE 114 -39.960 26.732 3.237 871 HG13 ILE 114 HG13 ILE 114 -38.688 26.909 2.035 872 HG21 ILE 114 HG21 ILE 114 -42.850 27.052 1.058 873 HG22 ILE 114 HG22 ILE 114 -42.278 27.950 2.453 874 HG23 ILE 114 HG23 ILE 114 -42.219 26.186 2.476 875 HD11 ILE 114 HD11 ILE 114 -40.461 29.141 3.019 876 HD12 ILE 114 HD12 ILE 114 -39.205 29.322 1.782 877 HD13 ILE 114 HD13 ILE 114 -38.781 28.906 3.453 878 H GLY 115 H GLY 115 -42.681 25.129 -0.649 879 HA2 GLY 115 HA2 GLY 115 -44.025 25.593 -2.284 880 HA3 GLY 115 HA3 GLY 115 -43.418 27.264 -2.046 881 H GLY 116 H GLY 116 -41.422 24.548 -3.001 882 HA2 GLY 116 HA2 GLY 116 -40.045 24.147 -4.801 883 HA3 GLY 116 HA3 GLY 116 -41.071 25.247 -5.814 884 H VAL 117 H VAL 117 -39.706 26.860 -3.160 885 HA VAL 117 HA VAL 117 -37.483 27.700 -4.921 886 HB VAL 117 HB VAL 117 -39.466 29.316 -4.658 887 HG11 VAL 117 HG11 VAL 117 -39.505 29.409 -2.164 888 HG12 VAL 117 HG12 VAL 117 -39.218 30.986 -2.896 889 HG13 VAL 117 HG13 VAL 117 -37.870 30.091 -2.165 890 HG21 VAL 117 HG21 VAL 117 -37.962 31.201 -4.985 891 HG22 VAL 117 HG22 VAL 117 -37.360 29.784 -5.849 892 HG23 VAL 117 HG23 VAL 117 -36.597 30.286 -4.318 893 H THR 118 H THR 118 -35.464 28.157 -4.184 894 HA THR 118 HA THR 118 -34.869 26.390 -1.991 895 HB THR 118 HB THR 118 -33.234 27.699 -4.190 896 HG1 THR 118 HG1 THR 118 -34.790 26.397 -4.967 897 HG21 THR 118 HG21 THR 118 -31.626 26.863 -2.546 898 HG22 THR 118 HG22 THR 118 -31.641 25.652 -3.729 899 HG23 THR 118 HG23 THR 118 -32.569 25.370 -2.111 900 H TYR 119 H TYR 119 -33.552 26.538 -0.401 901 HA TYR 119 HA TYR 119 -32.167 29.075 0.195 902 HB2 TYR 119 HB2 TYR 119 -34.221 28.920 1.514 903 HB3 TYR 119 HB3 TYR 119 -33.701 27.335 2.140 904 HD1 TYR 119 HD1 TYR 119 -32.825 30.957 2.003 905 HD2 TYR 119 HD2 TYR 119 -32.058 27.166 3.869 906 HE1 TYR 119 HE1 TYR 119 -31.460 32.088 3.738 907 HE2 TYR 119 HE2 TYR 119 -30.693 28.295 5.604 908 HH TYR 119 HH TYR 119 -29.345 30.540 5.711 909 H GLU 120 H GLU 120 -30.248 28.857 1.164 910 HA GLU 120 HA GLU 120 -29.350 26.195 1.895 911 HB2 GLU 120 HB2 GLU 120 -28.776 26.346 -0.510 912 HB3 GLU 120 HB3 GLU 120 -27.773 27.831 -0.166 913 HG2 GLU 120 HG2 GLU 120 -26.233 26.357 1.308 914 HG3 GLU 120 HG3 GLU 120 -27.279 24.957 0.848 915 H ARG 121 H ARG 121 -27.434 26.134 3.195 916 HA ARG 121 HA ARG 121 -26.653 28.628 4.652 917 HB2 ARG 121 HB2 ARG 121 -28.759 27.966 5.390 918 HB3 ARG 121 HB3 ARG 121 -28.346 26.220 5.705 919 HG2 ARG 121 HG2 ARG 121 -26.738 26.987 7.441 920 HG3 ARG 121 HG3 ARG 121 -27.326 28.635 7.158 921 HD2 ARG 121 HD2 ARG 121 -28.761 25.965 7.802 922 HD3 ARG 121 HD3 ARG 121 -28.247 27.203 9.140 923 HE ARG 121 HE ARG 121 -29.866 28.630 7.585 924 HH11 ARG 121 HH12 ARG 121 -30.487 25.325 8.827 925 HH12 ARG 121 HH11 ARG 121 -31.949 25.722 9.504 926 HH21 ARG 121 HH21 ARG 121 -32.261 28.840 8.123 927 HH22 ARG 121 HH22 ARG 121 -33.066 27.515 8.781 928 H VAL 122 H VAL 122 -24.906 28.456 5.899 929 HA VAL 122 HA VAL 122 -23.315 25.957 5.764 930 HB VAL 122 HB VAL 122 -22.157 28.615 4.896 931 HG11 VAL 122 HG11 VAL 122 -20.451 27.161 5.822 932 HG12 VAL 122 HG12 VAL 122 -20.283 27.195 4.070 933 HG13 VAL 122 HG13 VAL 122 -21.038 25.785 4.845 934 HG21 VAL 122 HG21 VAL 122 -23.701 27.899 3.132 935 HG22 VAL 122 HG22 VAL 122 -23.007 26.266 3.154 936 HG23 VAL 122 HG23 VAL 122 -22.042 27.653 2.607 937 H SER 123 H SER 123 -21.958 25.570 7.427 938 HA SER 123 HA SER 123 -21.412 27.676 9.414 939 HB2 SER 123 HB2 SER 123 -23.563 26.806 9.916 940 HB3 SER 123 HB3 SER 123 -22.993 25.123 9.876 941 HG SER 123 HG SER 123 -22.078 27.168 11.614 942 H LYS 124 H LYS 124 -19.939 27.140 10.972 943 HA LYS 124 HA LYS 124 -17.868 25.115 10.236 944 HB2 LYS 124 HB2 LYS 124 -16.204 26.780 11.014 945 HB3 LYS 124 HB3 LYS 124 -17.195 27.404 9.700 946 HG2 LYS 124 HG2 LYS 124 -18.633 28.436 11.738 947 HG3 LYS 124 HG3 LYS 124 -17.102 28.263 12.595 948 HD2 LYS 124 HD2 LYS 124 -15.998 29.740 10.943 949 HD3 LYS 124 HD3 LYS 124 -17.456 29.731 9.948 950 HE2 LYS 124 HE2 LYS 124 -17.536 31.808 10.985 951 HE3 LYS 124 HE3 LYS 124 -18.716 30.819 11.839 952 HZ1 LYS 124 HZ1 LYS 124 -17.407 32.101 13.389 953 HZ2 LYS 124 HZ2 LYS 124 -15.997 31.484 12.846 954 HZ3 LYS 124 HZ3 LYS 124 -17.100 30.592 13.699 955 H ARG 125 H ARG 125 -17.051 23.794 11.922 956 HA ARG 125 HA ARG 125 -18.494 23.978 14.507 957 HB2 ARG 125 HB2 ARG 125 -18.194 21.701 14.806 958 HB3 ARG 125 HB3 ARG 125 -18.525 21.880 13.086 959 HG2 ARG 125 HG2 ARG 125 -16.059 21.700 12.623 960 HG3 ARG 125 HG3 ARG 125 -15.810 21.394 14.355 961 HD2 ARG 125 HD2 ARG 125 -17.449 19.436 14.121 962 HD3 ARG 125 HD3 ARG 125 -17.358 19.698 12.369 963 HE ARG 125 HE ARG 125 -14.892 19.215 14.001 964 HH11 ARG 125 HH11 ARG 125 -16.850 18.118 11.289 965 HH12 ARG 125 HH12 ARG 125 -15.478 17.233 10.647 966 HH21 ARG 125 HH21 ARG 125 -13.272 18.096 13.001 967 HH22 ARG 125 HH22 ARG 125 -13.584 17.487 11.423 968 H LEU 126 H LEU 126 -17.591 23.978 16.503 969 HA LEU 126 HA LEU 126 -14.684 23.894 16.882 970 HB2 LEU 126 HB2 LEU 126 -14.700 26.082 18.177 971 HB3 LEU 126 HB3 LEU 126 -14.568 26.093 16.451 972 HG LEU 126 HG LEU 126 -15.883 27.921 17.417 973 HD11 LEU 126 HD11 LEU 126 -16.160 27.102 15.021 974 HD12 LEU 126 HD12 LEU 126 -17.430 28.113 15.696 975 HD13 LEU 126 HD13 LEU 126 -17.703 26.383 15.557 976 HD21 LEU 126 HD21 LEU 126 -18.162 27.651 18.092 977 HD22 LEU 126 HD22 LEU 126 -17.104 26.695 19.164 978 HD23 LEU 126 HD23 LEU 126 -18.067 25.879 17.905 979 H ALA 127 H ALA 127 -16.487 22.090 17.598 980 HA ALA 127 HA ALA 127 -16.962 22.076 20.482 981 HB1 ALA 127 HB1 ALA 127 -18.351 20.752 18.888 982 HB2 ALA 127 HB2 ALA 127 -17.539 19.713 20.070 983 HB3 ALA 127 HB3 ALA 127 -16.913 19.819 18.415 984 H12 GCH 201 H12 GCH 128 -27.285 17.085 11.406 985 H1 GCH 201 H1 GCH 128 -29.958 17.541 10.688 986 H10 GCH 201 H10 GCH 128 -28.474 19.646 10.161 987 H11 GCH 201 H11 GCH 128 -27.493 18.348 9.221 988 H9 GCH 201 H9 GCH 128 -25.602 18.949 10.650 989 H4 GCH 201 H4 GCH 128 -26.548 18.740 13.366 990 H5 GCH 201 H5 GCH 128 -27.519 20.031 13.837 991 H2 GCH 201 H2 GCH 128 -29.502 18.888 12.601 992 H3 GCH 201 H3 GCH 128 -28.502 17.577 13.296 993 H6 GCH 201 H6 GCH 128 -24.803 19.754 12.784 994 H7 GCH 201 H7 GCH 128 -24.611 21.126 11.830 995 H8 GCH 201 H8 GCH 128 -25.377 21.251 13.413 996 H17 GCH 201 H17 GCH 128 -26.402 19.924 8.402 997 H18 GCH 201 H18 GCH 128 -25.089 20.786 9.183 998 H16 GCH 201 H16 GCH 128 -26.342 22.571 8.556 999 H13 GCH 201 H13 GCH 128 -28.545 22.584 8.686 1000 H15 GCH 201 H15 GCH 128 -25.605 22.513 10.955 1001 H14 GCH 201 H14 GCH 128 -28.508 21.423 11.402 1002 H41 GCH 201 H41 GCH 128 -28.722 22.003 13.584 1003 H42 GCH 201 H42 GCH 128 -27.014 22.324 13.802 1004 H40 GCH 201 H40 GCH 128 -28.043 24.410 14.060 1005 H35 GCH 201 H35 GCH 128 -28.232 23.988 10.493 1006 H33 GCH 201 H33 GCH 128 -26.699 24.734 8.727 1007 H34 GCH 201 H34 GCH 128 -25.334 24.498 9.652 1008 H31 GCH 201 H31 GCH 128 -26.444 27.179 9.812 1009 H32 GCH 201 H32 GCH 128 -25.318 26.455 10.808 1010 H30 GCH 201 H30 GCH 128 -28.351 26.053 11.070 1011 H29 GCH 201 H29 GCH 128 -27.233 28.272 11.830 1012 H19 GCH 201 H19 GCH 128 -26.210 26.707 14.275 1013 H20 GCH 201 H20 GCH 128 -25.438 27.819 13.196 1014 H21 GCH 201 H21 GCH 128 -26.716 28.457 14.304 1015 H27 GCH 201 H27 GCH 128 -29.340 26.963 13.623 1016 H28 GCH 201 H28 GCH 128 -28.922 28.687 13.551 1017 H25 GCH 201 H25 GCH 128 -29.601 28.270 10.834 1018 H26 GCH 201 H26 GCH 128 -30.641 27.077 11.786 1019 H24 GCH 201 H24 GCH 128 -30.509 29.978 10.297 1020 H22 GCH 201 H22 GCH 128 -31.851 31.972 11.614 1021 H23 GCH 201 H23 GCH 128 -32.973 30.619 11.078 1022 H36 GCH 201 H36 GCH 128 -25.428 23.604 13.141 1023 H37 GCH 201 H37 GCH 128 -24.824 24.454 11.703 1024 H38 GCH 201 H38 GCH 128 -25.149 25.298 13.277 1025 H39 GCH 201 H39 GCH 128 -29.571 23.734 11.791 1026 H11 CHO 202 H11 CHO 129 -35.591 18.193 8.563 1027 H12 CHO 202 H12 CHO 129 -35.219 16.877 9.749 1028 H21 CHO 202 H21 CHO 129 -33.242 17.765 8.535 1029 H22 CHO 202 H22 CHO 129 -33.512 19.303 9.246 1030 H3 CHO 202 H3 CHO 129 -32.874 16.732 10.882 1031 HO3 CHO 202 HO3 CHO 129 -31.867 19.264 10.751 1032 H41 CHO 202 H41 CHO 129 -33.283 17.706 12.848 1033 H42 CHO 202 H42 CHO 129 -33.289 19.329 12.277 1034 H5 CHO 202 H5 CHO 129 -35.453 17.199 12.089 1035 H61 CHO 202 H61 CHO 129 -36.636 18.583 13.675 1036 H62 CHO 202 H62 CHO 129 -35.097 18.903 14.159 1037 H7 CHO 202 H7 CHO 129 -36.788 20.877 13.859 1038 HO7 CHO 202 HO7 CHO 129 -34.418 20.904 14.229 1039 H8 CHO 202 H8 CHO 129 -37.538 20.645 11.673 1040 H9 CHO 202 H9 CHO 129 -34.686 20.459 10.674 1041 H111 CHO 202 H111 CHO 129 -35.580 20.285 8.398 1042 H112 CHO 202 H112 CHO 129 -37.177 20.225 8.889 1043 H121 CHO 202 H121 CHO 129 -36.754 22.448 8.023 1044 H122 CHO 202 H122 CHO 129 -35.149 22.544 9.020 1045 H14 CHO 202 H14 CHO 129 -35.283 22.662 11.418 1046 H151 CHO 202 H151 CHO 129 -35.962 23.551 13.114 1047 H152 CHO 202 H152 CHO 129 -37.670 23.028 13.004 1048 H161 CHO 202 H161 CHO 129 -36.517 25.579 11.891 1049 H162 CHO 202 H162 CHO 129 -38.141 24.999 11.896 1050 H17 CHO 202 H17 CHO 129 -35.704 24.527 9.999 1051 H181 CHO 202 H181 CHO 129 -39.112 23.287 9.455 1052 H182 CHO 202 H182 CHO 129 -38.741 21.496 9.622 1053 H183 CHO 202 H183 CHO 129 -38.956 22.517 11.011 1054 H191 CHO 202 H191 CHO 129 -37.394 17.168 11.044 1055 H192 CHO 202 H192 CHO 129 -38.018 18.763 11.361 1056 H193 CHO 202 H193 CHO 129 -37.606 18.175 9.596 1057 H20 CHO 202 H20 CHO 129 -37.689 24.631 8.248 1058 H211 CHO 202 H211 CHO 129 -36.290 27.143 9.562 1059 H212 CHO 202 H212 CHO 129 -35.566 25.961 8.563 1060 H213 CHO 202 H213 CHO 129 -36.748 26.960 7.710 1061 H221 CHO 202 H221 CHO 129 -39.289 26.124 8.467 1062 H222 CHO 202 H222 CHO 129 -39.422 25.182 10.015 1063 H231 CHO 202 H231 CHO 129 -38.434 27.386 11.112 1064 H232 CHO 202 H232 CHO 129 -38.634 28.098 9.489 1065 HN CHO 202 HN CHO 129 -40.106 29.125 11.793 1066 H261 CHO 202 H261 CHO 129 -42.573 29.387 10.957 1067 H262 CHO 202 H262 CHO 129 -42.737 27.869 11.941 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -25.560 9.806 13.575 2 H2 ALA 1 H2 ALA 1 -24.206 10.530 12.948 3 H3 ALA 1 H3 ALA 1 -25.693 11.103 12.558 4 HA ALA 1 HA ALA 1 -26.087 11.833 14.765 5 HB1 ALA 1 HB1 ALA 1 -24.368 11.695 16.479 6 HB2 ALA 1 HB2 ALA 1 -23.316 10.765 15.388 7 HB3 ALA 1 HB3 ALA 1 -24.859 10.078 15.956 8 H PHE 2 H PHE 2 -25.784 13.958 15.046 9 HA PHE 2 HA PHE 2 -23.767 15.345 13.322 10 HB2 PHE 2 HB2 PHE 2 -26.591 16.152 14.047 11 HB3 PHE 2 HB3 PHE 2 -25.494 17.024 12.980 12 HD1 PHE 2 HD2 PHE 2 -24.813 15.985 10.781 13 HD2 PHE 2 HD1 PHE 2 -27.930 14.366 13.253 14 HE1 PHE 2 HE2 PHE 2 -25.685 14.689 8.834 15 HE2 PHE 2 HE1 PHE 2 -28.770 13.053 11.349 16 HZ PHE 2 HZ PHE 2 -27.658 13.222 9.119 17 H THR 3 H THR 3 -23.761 14.587 16.265 18 HA THR 3 HA THR 3 -24.045 16.685 17.990 19 HB THR 3 HB THR 3 -22.024 14.450 18.222 20 HG1 THR 3 HG1 THR 3 -23.992 13.590 19.407 21 HG21 THR 3 HG21 THR 3 -22.565 14.541 20.646 22 HG22 THR 3 HG22 THR 3 -23.494 16.029 20.365 23 HG23 THR 3 HG23 THR 3 -21.750 15.996 20.063 24 H GLY 4 H GLY 4 -22.989 18.461 18.593 25 HA2 GLY 4 HA2 GLY 4 -20.279 18.997 18.826 26 HA3 GLY 4 HA3 GLY 4 -20.629 19.310 17.128 27 H LYS 5 H LYS 5 -19.974 21.678 17.777 28 HA LYS 5 HA LYS 5 -22.336 23.100 18.309 29 HB2 LYS 5 HB2 LYS 5 -21.359 23.010 20.597 30 HB3 LYS 5 HB3 LYS 5 -19.762 23.657 19.950 31 HG2 LYS 5 HG2 LYS 5 -22.369 25.315 19.711 32 HG3 LYS 5 HG3 LYS 5 -21.777 24.968 21.321 33 HD2 LYS 5 HD2 LYS 5 -19.466 25.875 20.762 34 HD3 LYS 5 HD3 LYS 5 -20.096 26.313 19.106 35 HE2 LYS 5 HE2 LYS 5 -21.881 27.751 20.297 36 HE3 LYS 5 HE3 LYS 5 -21.125 27.257 21.893 37 HZ1 LYS 5 HZ1 LYS 5 -20.161 28.926 19.663 38 HZ2 LYS 5 HZ2 LYS 5 -19.088 28.484 20.906 39 HZ3 LYS 5 HZ3 LYS 5 -20.540 29.356 21.221 40 H PHE 6 H PHE 6 -22.514 24.688 17.112 41 HA PHE 6 HA PHE 6 -20.428 25.092 15.042 42 HB2 PHE 6 HB2 PHE 6 -23.413 24.589 14.696 43 HB3 PHE 6 HB3 PHE 6 -22.160 24.462 13.481 44 HD1 PHE 6 HD2 PHE 6 -20.252 22.744 14.044 45 HD2 PHE 6 HD1 PHE 6 -24.312 22.487 15.371 46 HE1 PHE 6 HE2 PHE 6 -19.988 20.272 14.314 47 HE2 PHE 6 HE1 PHE 6 -24.067 20.035 15.595 48 HZ PHE 6 HZ PHE 6 -21.918 18.928 15.072 49 H GLU 7 H GLU 7 -20.565 26.958 13.881 50 HA GLU 7 HA GLU 7 -22.382 29.168 14.781 51 HB2 GLU 7 HB2 GLU 7 -20.347 29.119 16.057 52 HB3 GLU 7 HB3 GLU 7 -19.357 29.043 14.596 53 HG2 GLU 7 HG2 GLU 7 -20.115 31.335 13.985 54 HG3 GLU 7 HG3 GLU 7 -21.049 31.409 15.484 55 H MET 8 H MET 8 -23.350 30.101 13.110 56 HA MET 8 HA MET 8 -22.557 29.458 10.322 57 HB2 MET 8 HB2 MET 8 -24.835 28.976 10.955 58 HB3 MET 8 HB3 MET 8 -25.095 30.647 11.489 59 HG2 MET 8 HG2 MET 8 -24.763 31.432 9.171 60 HG3 MET 8 HG3 MET 8 -24.454 29.772 8.660 61 HE1 MET 8 HE1 MET 8 -27.008 32.546 9.120 62 HE2 MET 8 HE2 MET 8 -27.201 31.813 10.736 63 HE3 MET 8 HE3 MET 8 -28.513 31.714 9.541 64 H GLU 9 H GLU 9 -21.800 30.971 8.932 65 HA GLU 9 HA GLU 9 -22.794 33.686 9.273 66 HB2 GLU 9 HB2 GLU 9 -20.302 33.355 9.764 67 HB3 GLU 9 HB3 GLU 9 -20.005 33.362 7.958 68 HG2 GLU 9 HG2 GLU 9 -21.458 35.511 9.783 69 HG3 GLU 9 HG3 GLU 9 -19.906 35.724 8.947 70 H SER 10 H SER 10 -24.523 33.256 7.698 71 HA SER 10 HA SER 10 -23.823 32.962 4.988 72 HB2 SER 10 HB2 SER 10 -24.982 30.448 6.368 73 HB3 SER 10 HB3 SER 10 -25.370 30.775 4.576 74 HG SER 10 HG SER 10 -22.842 30.773 5.468 75 H GLU 11 H GLU 11 -26.002 32.458 3.648 76 HA GLU 11 HA GLU 11 -28.180 34.061 4.572 77 HB2 GLU 11 HB2 GLU 11 -25.832 35.515 4.450 78 HB3 GLU 11 HB3 GLU 11 -26.332 35.883 2.830 79 HG2 GLU 11 HG2 GLU 11 -28.498 36.778 3.517 80 HG3 GLU 11 HG3 GLU 11 -28.274 36.455 5.228 81 H LYS 12 H LYS 12 -28.188 31.840 2.772 82 HA LYS 12 HA LYS 12 -28.728 33.187 0.159 83 HB2 LYS 12 HB2 LYS 12 -27.286 31.161 0.202 84 HB3 LYS 12 HB3 LYS 12 -28.638 30.252 0.857 85 HG2 LYS 12 HG2 LYS 12 -28.480 29.742 -1.420 86 HG3 LYS 12 HG3 LYS 12 -29.961 30.670 -1.196 87 HD2 LYS 12 HD2 LYS 12 -28.956 32.667 -2.134 88 HD3 LYS 12 HD3 LYS 12 -27.340 31.949 -2.112 89 HE2 LYS 12 HE2 LYS 12 -29.694 30.961 -3.782 90 HE3 LYS 12 HE3 LYS 12 -28.379 31.979 -4.382 91 HZ1 LYS 12 HZ1 LYS 12 -27.969 29.622 -4.865 92 HZ2 LYS 12 HZ2 LYS 12 -28.024 29.241 -3.269 93 HZ3 LYS 12 HZ3 LYS 12 -26.818 30.179 -3.828 94 H ASN 13 H ASN 13 -30.655 34.108 0.160 95 HA ASN 13 HA ASN 13 -32.745 34.259 -0.455 96 HB2 ASN 13 HB2 ASN 13 -32.251 31.859 -1.338 97 HB3 ASN 13 HB3 ASN 13 -33.146 31.246 0.071 98 HD21 ASN 13 HD21 ASN 13 -35.114 30.933 -0.341 99 HD22 ASN 13 HD22 ASN 13 -36.199 31.842 -1.487 100 H TYR 14 H TYR 14 -31.776 34.190 2.472 101 HA TYR 14 HA TYR 14 -33.587 33.070 4.134 102 HB2 TYR 14 HB2 TYR 14 -32.696 34.492 5.918 103 HB3 TYR 14 HB3 TYR 14 -31.271 34.144 4.878 104 HD1 TYR 14 HD2 TYR 14 -30.814 35.999 2.944 105 HD2 TYR 14 HD1 TYR 14 -33.041 36.629 6.531 106 HE1 TYR 14 HE2 TYR 14 -30.491 38.314 2.656 107 HE2 TYR 14 HE1 TYR 14 -32.845 39.209 6.141 108 HH TYR 14 HH TYR 14 -30.707 40.033 3.378 109 H ASP 15 H ASP 15 -33.821 36.458 2.991 110 HA ASP 15 HA ASP 15 -36.052 36.893 4.528 111 HB2 ASP 15 HB2 ASP 15 -34.504 38.652 3.252 112 HB3 ASP 15 HB3 ASP 15 -35.551 38.487 1.854 113 H GLU 16 H GLU 16 -36.220 35.873 1.109 114 HA GLU 16 HA GLU 16 -39.024 35.583 1.230 115 HB2 GLU 16 HB2 GLU 16 -36.949 33.879 -0.352 116 HB3 GLU 16 HB3 GLU 16 -38.732 33.671 -0.580 117 HG2 GLU 16 HG2 GLU 16 -37.261 36.235 -1.112 118 HG3 GLU 16 HG3 GLU 16 -37.561 34.934 -2.350 119 H PHE 17 H PHE 17 -36.515 33.197 2.145 120 HA PHE 17 HA PHE 17 -38.370 31.061 2.420 121 HB2 PHE 17 HB2 PHE 17 -35.826 31.071 2.032 122 HB3 PHE 17 HB3 PHE 17 -35.635 31.327 3.760 123 HD1 PHE 17 HD1 PHE 17 -36.960 29.097 1.114 124 HD2 PHE 17 HD2 PHE 17 -35.830 29.392 5.257 125 HE1 PHE 17 HE1 PHE 17 -37.115 26.664 1.337 126 HE2 PHE 17 HE2 PHE 17 -36.048 26.929 5.495 127 HZ PHE 17 HZ PHE 17 -36.774 25.561 3.550 128 H MET 18 H MET 18 -36.858 33.173 4.957 129 HA MET 18 HA MET 18 -38.153 31.760 7.133 130 HB2 MET 18 HB2 MET 18 -36.485 34.250 6.912 131 HB3 MET 18 HB3 MET 18 -37.328 33.818 8.402 132 HG2 MET 18 HG2 MET 18 -35.051 33.042 8.501 133 HG3 MET 18 HG3 MET 18 -36.214 31.728 8.593 134 HE1 MET 18 HE1 MET 18 -35.113 29.721 8.076 135 HE2 MET 18 HE2 MET 18 -33.552 30.554 8.273 136 HE3 MET 18 HE3 MET 18 -33.820 29.481 6.879 137 H LYS 19 H LYS 19 -39.181 34.398 5.201 138 HA LYS 19 HA LYS 19 -41.623 35.028 6.802 139 HB2 LYS 19 HB2 LYS 19 -40.726 35.332 3.886 140 HB3 LYS 19 HB3 LYS 19 -42.407 35.840 4.509 141 HG2 LYS 19 HG2 LYS 19 -39.544 36.963 5.149 142 HG3 LYS 19 HG3 LYS 19 -40.680 37.753 4.025 143 HD2 LYS 19 HD2 LYS 19 -40.998 37.261 6.986 144 HD3 LYS 19 HD3 LYS 19 -40.748 38.846 6.282 145 HE2 LYS 19 HE2 LYS 19 -43.295 37.185 6.088 146 HE3 LYS 19 HE3 LYS 19 -43.014 38.718 6.946 147 HZ1 LYS 19 HZ1 LYS 19 -42.810 39.743 4.634 148 HZ2 LYS 19 HZ2 LYS 19 -44.212 38.989 4.819 149 HZ3 LYS 19 HZ3 LYS 19 -42.907 38.240 3.914 150 H LEU 20 H LEU 20 -40.843 32.795 4.104 151 HA LEU 20 HA LEU 20 -43.489 31.686 3.998 152 HB2 LEU 20 HB2 LEU 20 -40.808 30.820 2.871 153 HB3 LEU 20 HB3 LEU 20 -42.300 29.956 2.542 154 HG LEU 20 HG LEU 20 -42.001 32.902 1.879 155 HD11 LEU 20 HD11 LEU 20 -41.542 30.475 0.073 156 HD12 LEU 20 HD12 LEU 20 -40.280 31.578 0.672 157 HD13 LEU 20 HD13 LEU 20 -41.520 32.189 -0.418 158 HD21 LEU 20 HD21 LEU 20 -43.834 32.432 0.319 159 HD22 LEU 20 HD22 LEU 20 -44.321 32.075 1.979 160 HD23 LEU 20 HD23 LEU 20 -43.902 30.743 0.870 161 H LEU 21 H LEU 21 -40.768 30.738 5.991 162 HA LEU 21 HA LEU 21 -41.637 28.269 7.083 163 HB2 LEU 21 HB2 LEU 21 -40.196 30.728 8.098 164 HB3 LEU 21 HB3 LEU 21 -40.804 29.631 9.292 165 HG LEU 21 HG LEU 21 -39.506 27.819 8.317 166 HD11 LEU 21 HD11 LEU 21 -39.181 28.865 6.008 167 HD12 LEU 21 HD12 LEU 21 -37.820 28.017 6.749 168 HD13 LEU 21 HD13 LEU 21 -37.864 29.770 6.743 169 HD21 LEU 21 HD21 LEU 21 -37.919 30.266 9.095 170 HD22 LEU 21 HD22 LEU 21 -37.321 28.608 9.145 171 HD23 LEU 21 HD23 LEU 21 -38.653 29.095 10.214 172 H GLY 22 H GLY 22 -42.804 31.506 7.666 173 HA2 GLY 22 HA2 GLY 22 -45.072 31.920 8.548 174 HA3 GLY 22 HA3 GLY 22 -44.862 30.623 9.628 175 H ILE 23 H ILE 23 -42.034 32.687 9.090 176 HA ILE 23 HA ILE 23 -42.409 33.970 11.722 177 HB ILE 23 HB ILE 23 -39.924 33.721 10.141 178 HG12 ILE 23 HG12 ILE 23 -40.866 32.061 12.559 179 HG13 ILE 23 HG13 ILE 23 -40.963 31.460 10.963 180 HG21 ILE 23 HG21 ILE 23 -39.770 35.720 11.651 181 HG22 ILE 23 HG22 ILE 23 -38.738 34.450 12.238 182 HG23 ILE 23 HG23 ILE 23 -40.304 34.570 13.020 183 HD11 ILE 23 HD11 ILE 23 -38.331 31.669 10.781 184 HD12 ILE 23 HD12 ILE 23 -38.986 30.589 12.035 185 HD13 ILE 23 HD13 ILE 23 -38.440 32.065 12.597 186 H SER 24 H SER 24 -42.990 36.016 11.816 187 HA SER 24 HA SER 24 -43.227 37.573 9.388 188 HB2 SER 24 HB2 SER 24 -43.604 38.411 12.280 189 HB3 SER 24 HB3 SER 24 -44.028 39.382 10.851 190 HG SER 24 HG SER 24 -45.826 38.173 11.581 191 H SER 25 H SER 25 -41.299 38.116 12.225 192 HA SER 25 HA SER 25 -38.850 39.019 10.773 193 HB2 SER 25 HB2 SER 25 -40.411 41.092 11.096 194 HB3 SER 25 HB3 SER 25 -40.004 40.983 12.801 195 HG SER 25 HG SER 25 -37.986 41.393 12.574 196 H ASP 26 H ASP 26 -40.433 38.065 13.718 197 HA ASP 26 HA ASP 26 -38.551 38.864 15.458 198 HB2 ASP 26 HB2 ASP 26 -40.610 38.049 16.363 199 HB3 ASP 26 HB3 ASP 26 -40.238 36.391 15.861 200 H VAL 27 H VAL 27 -38.319 35.475 13.985 201 HA VAL 27 HA VAL 27 -35.681 35.343 15.119 202 HB VAL 27 HB VAL 27 -36.812 33.878 12.739 203 HG11 VAL 27 HG11 VAL 27 -35.090 32.144 13.660 204 HG12 VAL 27 HG12 VAL 27 -34.338 33.429 14.523 205 HG13 VAL 27 HG13 VAL 27 -34.420 33.523 12.732 206 HG21 VAL 27 HG21 VAL 27 -38.208 33.609 14.820 207 HG22 VAL 27 HG22 VAL 27 -36.794 33.238 15.817 208 HG23 VAL 27 HG23 VAL 27 -37.347 32.097 14.439 209 H ILE 28 H ILE 28 -37.071 36.678 12.137 210 HA ILE 28 HA ILE 28 -34.873 36.053 10.473 211 HB ILE 28 HB ILE 28 -36.842 38.326 9.668 212 HG12 ILE 28 HG12 ILE 28 -37.495 35.329 9.794 213 HG13 ILE 28 HG13 ILE 28 -38.302 36.601 10.624 214 HG21 ILE 28 HG21 ILE 28 -34.749 37.527 8.250 215 HG22 ILE 28 HG22 ILE 28 -36.355 37.746 7.462 216 HG23 ILE 28 HG23 ILE 28 -35.832 36.102 7.891 217 HD11 ILE 28 HD11 ILE 28 -39.000 37.633 8.443 218 HD12 ILE 28 HD12 ILE 28 -39.509 35.875 8.626 219 HD13 ILE 28 HD13 ILE 28 -38.316 36.268 7.461 220 H GLU 29 H GLU 29 -35.822 39.061 12.162 221 HA GLU 29 HA GLU 29 -33.788 40.759 10.998 222 HB2 GLU 29 HB2 GLU 29 -34.506 42.396 12.566 223 HB3 GLU 29 HB3 GLU 29 -35.933 41.497 12.090 224 HG2 GLU 29 HG2 GLU 29 -35.433 40.042 14.238 225 HG3 GLU 29 HG3 GLU 29 -34.352 41.386 14.686 226 H LYS 30 H LYS 30 -33.799 38.546 13.678 227 HA LYS 30 HA LYS 30 -31.406 39.593 15.018 228 HB2 LYS 30 HB2 LYS 30 -32.535 36.783 15.296 229 HB3 LYS 30 HB3 LYS 30 -31.696 37.712 16.509 230 HG2 LYS 30 HG2 LYS 30 -34.506 38.269 15.505 231 HG3 LYS 30 HG3 LYS 30 -34.127 37.269 16.898 232 HD2 LYS 30 HD2 LYS 30 -33.066 39.341 17.938 233 HD3 LYS 30 HD3 LYS 30 -33.822 40.284 16.655 234 HE2 LYS 30 HE2 LYS 30 -35.305 38.457 18.618 235 HE3 LYS 30 HE3 LYS 30 -35.090 40.197 18.856 236 HZ1 LYS 30 HZ1 LYS 30 -36.466 40.621 16.924 237 HZ2 LYS 30 HZ2 LYS 30 -37.310 39.605 17.892 238 HZ3 LYS 30 HZ3 LYS 30 -36.564 39.032 16.573 239 H ALA 31 H ALA 31 -32.308 36.807 13.057 240 HA ALA 31 HA ALA 31 -29.813 35.606 12.632 241 HB1 ALA 31 HB1 ALA 31 -32.376 35.595 10.977 242 HB2 ALA 31 HB2 ALA 31 -31.952 34.478 12.290 243 HB3 ALA 31 HB3 ALA 31 -31.029 34.478 10.786 244 H ARG 32 H ARG 32 -31.557 37.977 10.443 245 HA ARG 32 HA ARG 32 -29.420 37.934 8.559 246 HB2 ARG 32 HB2 ARG 32 -30.398 39.763 7.484 247 HB3 ARG 32 HB3 ARG 32 -31.719 38.792 8.143 248 HG2 ARG 32 HG2 ARG 32 -31.814 40.442 10.080 249 HG3 ARG 32 HG3 ARG 32 -30.652 41.445 9.201 250 HD2 ARG 32 HD2 ARG 32 -32.202 41.590 7.283 251 HD3 ARG 32 HD3 ARG 32 -33.359 40.551 8.129 252 HE ARG 32 HE ARG 32 -32.482 43.228 9.157 253 HH11 ARG 32 HH11 ARG 32 -35.199 41.213 8.203 254 HH12 ARG 32 HH12 ARG 32 -36.338 42.149 9.111 255 HH21 ARG 32 HH21 ARG 32 -34.028 44.451 10.206 256 HH22 ARG 32 HH22 ARG 32 -35.696 43.953 10.169 257 H ASN 33 H ASN 33 -29.707 39.861 11.519 258 HA ASN 33 HA ASN 33 -27.431 41.579 10.799 259 HB2 ASN 33 HB2 ASN 33 -29.298 41.392 13.184 260 HB3 ASN 33 HB3 ASN 33 -27.855 42.397 13.221 261 HD21 ASN 33 HD21 ASN 33 -31.095 42.405 12.404 262 HD22 ASN 33 HD22 ASN 33 -30.980 44.071 11.794 263 H PHE 34 H PHE 34 -27.855 38.829 13.049 264 HA PHE 34 HA PHE 34 -24.913 38.865 13.384 265 HB2 PHE 34 HB2 PHE 34 -25.258 38.429 15.872 266 HB3 PHE 34 HB3 PHE 34 -25.418 40.039 15.215 267 HD1 PHE 34 HD1 PHE 34 -27.358 37.137 16.496 268 HD2 PHE 34 HD2 PHE 34 -27.459 41.286 15.356 269 HE1 PHE 34 HE1 PHE 34 -29.528 37.415 17.688 270 HE2 PHE 34 HE2 PHE 34 -29.652 41.554 16.490 271 HZ PHE 34 HZ PHE 34 -30.675 39.627 17.684 272 H LYS 35 H LYS 35 -27.415 36.858 12.751 273 HA LYS 35 HA LYS 35 -27.475 34.832 11.941 274 HB2 LYS 35 HB2 LYS 35 -24.401 34.914 11.856 275 HB3 LYS 35 HB3 LYS 35 -25.331 33.397 11.535 276 HG2 LYS 35 HG2 LYS 35 -25.162 34.183 9.546 277 HG3 LYS 35 HG3 LYS 35 -26.748 34.786 9.938 278 HD2 LYS 35 HD2 LYS 35 -25.577 37.079 10.624 279 HD3 LYS 35 HD3 LYS 35 -24.142 36.556 9.838 280 HE2 LYS 35 HE2 LYS 35 -26.952 36.830 8.596 281 HE3 LYS 35 HE3 LYS 35 -25.525 37.956 8.398 282 HZ1 LYS 35 HZ1 LYS 35 -25.844 35.293 7.215 283 HZ2 LYS 35 HZ2 LYS 35 -24.403 36.062 7.402 284 HZ3 LYS 35 HZ3 LYS 35 -25.745 36.832 6.499 285 H ILE 36 H ILE 36 -27.252 32.462 12.597 286 HA ILE 36 HA ILE 36 -27.648 32.325 15.559 287 HB ILE 36 HB ILE 36 -28.565 30.519 13.352 288 HG12 ILE 36 HG12 ILE 36 -29.724 32.953 14.638 289 HG13 ILE 36 HG13 ILE 36 -29.788 32.419 12.965 290 HG21 ILE 36 HG21 ILE 36 -29.988 29.373 14.877 291 HG22 ILE 36 HG22 ILE 36 -29.512 30.428 16.213 292 HG23 ILE 36 HG23 ILE 36 -28.359 29.276 15.493 293 HD11 ILE 36 HD11 ILE 36 -31.514 31.498 15.278 294 HD12 ILE 36 HD12 ILE 36 -31.499 30.696 13.690 295 HD13 ILE 36 HD13 ILE 36 -32.004 32.383 13.830 296 H VAL 37 H VAL 37 -26.818 30.667 16.820 297 HA VAL 37 HA VAL 37 -24.698 28.931 15.664 298 HB VAL 37 HB VAL 37 -23.242 29.166 17.476 299 HG11 VAL 37 HG11 VAL 37 -24.205 32.013 17.015 300 HG12 VAL 37 HG12 VAL 37 -23.284 31.092 15.828 301 HG13 VAL 37 HG13 VAL 37 -22.566 31.456 17.405 302 HG21 VAL 37 HG21 VAL 37 -24.745 29.215 19.384 303 HG22 VAL 37 HG22 VAL 37 -25.341 30.819 18.912 304 HG23 VAL 37 HG23 VAL 37 -23.666 30.613 19.445 305 H THR 38 H THR 38 -24.564 26.769 16.409 306 HA THR 38 HA THR 38 -26.873 25.843 18.045 307 HB THR 38 HB THR 38 -26.322 25.061 15.185 308 HG1 THR 38 HG1 THR 38 -28.529 25.928 15.006 309 HG21 THR 38 HG21 THR 38 -28.506 23.791 15.352 310 HG22 THR 38 HG22 THR 38 -28.361 23.932 17.111 311 HG23 THR 38 HG23 THR 38 -27.130 23.070 16.183 312 H GLU 39 H GLU 39 -26.650 24.083 19.026 313 HA GLU 39 HA GLU 39 -24.323 22.379 19.086 314 HB2 GLU 39 HB2 GLU 39 -26.552 22.833 21.157 315 HB3 GLU 39 HB3 GLU 39 -25.170 21.904 21.348 316 HG2 GLU 39 HG2 GLU 39 -23.790 23.757 21.141 317 HG3 GLU 39 HG3 GLU 39 -24.874 25.031 20.701 318 H VAL 40 H VAL 40 -24.782 20.150 19.036 319 HA VAL 40 HA VAL 40 -27.598 19.299 18.628 320 HB VAL 40 HB VAL 40 -25.327 18.718 16.707 321 HG11 VAL 40 HG11 VAL 40 -26.682 16.705 16.848 322 HG12 VAL 40 HG12 VAL 40 -27.057 17.551 15.351 323 HG13 VAL 40 HG13 VAL 40 -28.177 17.664 16.707 324 HG21 VAL 40 HG21 VAL 40 -26.270 20.911 16.257 325 HG22 VAL 40 HG22 VAL 40 -27.926 20.252 16.314 326 HG23 VAL 40 HG23 VAL 40 -26.790 19.778 15.050 327 H GLN 41 H GLN 41 -27.860 17.116 19.123 328 HA GLN 41 HA GLN 41 -25.539 15.479 19.823 329 HB2 GLN 41 HB2 GLN 41 -26.835 16.770 21.902 330 HB3 GLN 41 HB3 GLN 41 -27.779 15.290 21.798 331 HG2 GLN 41 HG2 GLN 41 -24.752 15.534 22.189 332 HG3 GLN 41 HG3 GLN 41 -25.929 15.113 23.423 333 HE21 GLN 41 HE21 GLN 41 -27.231 13.087 23.027 334 HE22 GLN 41 HE22 GLN 41 -26.584 11.806 22.151 335 H GLN 42 H GLN 42 -26.087 13.186 19.594 336 HA GLN 42 HA GLN 42 -28.752 12.410 18.932 337 HB2 GLN 42 HB2 GLN 42 -28.212 13.343 16.746 338 HB3 GLN 42 HB3 GLN 42 -26.721 12.406 16.664 339 HG2 GLN 42 HG2 GLN 42 -28.030 10.297 16.573 340 HG3 GLN 42 HG3 GLN 42 -29.527 11.210 16.770 341 HE21 GLN 42 HE21 GLN 42 -29.635 9.680 14.622 342 HE22 GLN 42 HE22 GLN 42 -29.354 10.622 13.163 343 H ASP 43 H ASP 43 -28.985 10.437 19.672 344 HA ASP 43 HA ASP 43 -26.661 8.661 19.895 345 HB2 ASP 43 HB2 ASP 43 -29.159 8.826 21.699 346 HB3 ASP 43 HB3 ASP 43 -27.925 7.433 21.673 347 H GLY 44 H GLY 44 -26.839 7.784 17.943 348 HA2 GLY 44 HA2 GLY 44 -27.806 6.420 16.258 349 HA3 GLY 44 HA3 GLY 44 -28.844 5.802 17.627 350 H GLN 45 H GLN 45 -30.887 6.385 17.558 351 HA GLN 45 HA GLN 45 -31.903 7.800 15.154 352 HB2 GLN 45 HB2 GLN 45 -33.233 5.788 17.021 353 HB3 GLN 45 HB3 GLN 45 -34.109 6.759 15.842 354 HG2 GLN 45 HG2 GLN 45 -32.471 5.837 14.064 355 HG3 GLN 45 HG3 GLN 45 -31.987 4.661 15.290 356 HE21 GLN 45 HE21 GLN 45 -35.147 5.976 13.898 357 HE22 GLN 45 HE22 GLN 45 -35.866 4.384 13.991 358 H ASP 46 H ASP 46 -31.273 8.437 18.439 359 HA ASP 46 HA ASP 46 -33.605 10.286 18.627 360 HB2 ASP 46 HB2 ASP 46 -31.744 9.213 20.816 361 HB3 ASP 46 HB3 ASP 46 -33.095 10.323 21.091 362 H PHE 47 H PHE 47 -33.387 12.271 18.091 363 HA PHE 47 HA PHE 47 -30.626 13.346 18.130 364 HB2 PHE 47 HB2 PHE 47 -31.347 12.799 15.940 365 HB3 PHE 47 HB3 PHE 47 -32.949 13.512 16.195 366 HD1 PHE 47 HD2 PHE 47 -33.140 15.884 16.511 367 HD2 PHE 47 HD1 PHE 47 -29.474 14.282 15.129 368 HE1 PHE 47 HE2 PHE 47 -32.627 18.109 15.285 369 HE2 PHE 47 HE1 PHE 47 -28.782 16.386 14.333 370 HZ PHE 47 HZ PHE 47 -30.531 18.351 14.228 371 H THR 48 H THR 48 -30.303 15.336 18.735 372 HA THR 48 HA THR 48 -32.540 17.083 19.702 373 HB THR 48 HB THR 48 -29.865 16.400 21.084 374 HG1 THR 48 HG1 THR 48 -31.188 15.171 22.280 375 HG21 THR 48 HG21 THR 48 -30.546 17.986 22.800 376 HG22 THR 48 HG22 THR 48 -32.059 18.366 21.943 377 HG23 THR 48 HG23 THR 48 -30.553 18.892 21.256 378 H TRP 49 H TRP 49 -32.505 18.897 18.819 379 HA TRP 49 HA TRP 49 -29.912 20.129 18.032 380 HB2 TRP 49 HB2 TRP 49 -30.799 19.752 16.033 381 HB3 TRP 49 HB3 TRP 49 -32.455 19.766 16.616 382 HD1 TRP 49 HD1 TRP 49 -33.265 22.442 17.308 383 HE1 TRP 49 HE1 TRP 49 -33.994 23.782 15.324 384 HE3 TRP 49 HE3 TRP 49 -30.120 20.528 13.785 385 HZ2 TRP 49 HZ2 TRP 49 -33.232 24.206 12.580 386 HZ3 TRP 49 HZ3 TRP 49 -30.321 21.288 11.415 387 HH2 TRP 49 HH2 TRP 49 -31.970 22.979 10.794 388 H SER 50 H SER 50 -29.372 21.868 18.947 389 HA SER 50 HA SER 50 -31.354 23.633 20.299 390 HB2 SER 50 HB2 SER 50 -28.589 22.668 21.276 391 HB3 SER 50 HB3 SER 50 -29.505 23.943 22.100 392 HG SER 50 HG SER 50 -29.660 21.434 22.434 393 H GLN 51 H GLN 51 -31.387 25.458 19.302 394 HA GLN 51 HA GLN 51 -28.880 26.561 18.117 395 HB2 GLN 51 HB2 GLN 51 -31.712 27.379 17.450 396 HB3 GLN 51 HB3 GLN 51 -30.236 27.594 16.507 397 HG2 GLN 51 HG2 GLN 51 -30.381 24.843 16.626 398 HG3 GLN 51 HG3 GLN 51 -32.081 25.268 16.755 399 HE21 GLN 51 HE21 GLN 51 -32.806 26.926 14.994 400 HE22 GLN 51 HE22 GLN 51 -31.862 26.983 13.506 401 H HIS 52 H HIS 52 -28.620 28.906 18.223 402 HA HIS 52 HA HIS 52 -30.388 30.370 20.065 403 HB2 HIS 52 HB2 HIS 52 -27.377 30.633 20.331 404 HB3 HIS 52 HB3 HIS 52 -28.608 31.262 21.406 405 HD1 HIS 52 HD1 HIS 52 -29.543 29.453 23.286 406 HD2 HIS 52 HD2 HIS 52 -26.549 28.149 20.600 407 HE1 HIS 52 HE1 HIS 52 -28.467 27.346 24.325 408 H TYR 53 H TYR 53 -31.027 32.264 19.105 409 HA TYR 53 HA TYR 53 -29.233 33.451 17.111 410 HB2 TYR 53 HB2 TYR 53 -30.844 35.384 17.063 411 HB3 TYR 53 HB3 TYR 53 -31.173 33.883 16.253 412 HD1 TYR 53 HD1 TYR 53 -32.935 32.354 16.949 413 HD2 TYR 53 HD2 TYR 53 -32.344 36.175 18.842 414 HE1 TYR 53 HE1 TYR 53 -35.285 32.308 17.749 415 HE2 TYR 53 HE2 TYR 53 -34.732 36.167 19.588 416 HH TYR 53 HH TYR 53 -36.978 34.976 18.889 417 H SER 54 H SER 54 -27.420 34.224 17.635 418 HA SER 54 HA SER 54 -25.665 34.546 18.950 419 HB2 SER 54 HB2 SER 54 -25.325 36.506 20.139 420 HB3 SER 54 HB3 SER 54 -25.938 36.824 18.432 421 HG SER 54 HG SER 54 -27.177 38.099 19.676 422 H GLY 55 H GLY 55 -26.413 36.146 21.671 423 HA2 GLY 55 HA2 GLY 55 -26.902 33.729 23.383 424 HA3 GLY 55 HA3 GLY 55 -26.236 35.264 23.957 425 H GLY 56 H GLY 56 -28.498 35.761 21.729 426 HA2 GLY 56 HA2 GLY 56 -30.346 37.201 23.417 427 HA3 GLY 56 HA3 GLY 56 -30.512 36.867 21.604 428 H HIS 57 H HIS 57 -30.883 34.220 21.644 429 HA HIS 57 HA HIS 57 -32.861 33.417 23.692 430 HB2 HIS 57 HB2 HIS 57 -33.939 35.016 21.912 431 HB3 HIS 57 HB3 HIS 57 -33.781 33.647 20.818 432 HD1 HIS 57 HD1 HIS 57 -36.400 33.371 20.523 433 HD2 HIS 57 HD2 HIS 57 -35.053 33.382 24.517 434 HE1 HIS 57 HE1 HIS 57 -38.372 32.562 21.934 435 H THR 58 H THR 58 -33.288 31.208 23.703 436 HA THR 58 HA THR 58 -31.705 29.390 21.961 437 HB THR 58 HB THR 58 -33.050 28.671 24.673 438 HG1 THR 58 HG1 THR 58 -31.458 29.336 25.429 439 HG21 THR 58 HG21 THR 58 -31.229 26.919 24.543 440 HG22 THR 58 HG22 THR 58 -31.189 27.272 22.718 441 HG23 THR 58 HG23 THR 58 -32.665 26.748 23.484 442 H MET 59 H MET 59 -32.589 27.965 20.581 443 HA MET 59 HA MET 59 -35.527 27.389 20.825 444 HB2 MET 59 HB2 MET 59 -34.085 27.164 18.188 445 HB3 MET 59 HB3 MET 59 -35.805 27.302 18.533 446 HG2 MET 59 HG2 MET 59 -35.457 29.438 17.797 447 HG3 MET 59 HG3 MET 59 -35.047 29.713 19.476 448 HE1 MET 59 HE1 MET 59 -33.972 30.108 15.799 449 HE2 MET 59 HE2 MET 59 -33.691 28.391 16.129 450 HE3 MET 59 HE3 MET 59 -32.319 29.454 15.775 451 H THR 60 H THR 60 -36.021 25.190 20.979 452 HA THR 60 HA THR 60 -33.886 23.312 20.306 453 HB THR 60 HB THR 60 -33.582 22.151 22.143 454 HG1 THR 60 HG1 THR 60 -36.133 22.980 22.927 455 HG21 THR 60 HG21 THR 60 -32.783 24.412 22.685 456 HG22 THR 60 HG22 THR 60 -33.328 23.542 24.126 457 HG23 THR 60 HG23 THR 60 -34.361 24.807 23.418 458 H ASN 61 H ASN 61 -34.316 21.469 19.403 459 HA ASN 61 HA ASN 61 -37.186 20.756 18.959 460 HB2 ASN 61 HB2 ASN 61 -35.039 20.853 16.799 461 HB3 ASN 61 HB3 ASN 61 -36.728 20.437 16.592 462 HD21 ASN 61 HD21 ASN 61 -37.397 23.022 18.430 463 HD22 ASN 61 HD22 ASN 61 -37.315 24.216 17.126 464 H LYS 62 H LYS 62 -37.488 18.591 19.608 465 HA LYS 62 HA LYS 62 -35.116 16.850 19.912 466 HB2 LYS 62 HB2 LYS 62 -37.555 17.250 21.728 467 HB3 LYS 62 HB3 LYS 62 -36.304 16.143 22.087 468 HG2 LYS 62 HG2 LYS 62 -34.687 18.112 22.499 469 HG3 LYS 62 HG3 LYS 62 -36.149 19.184 22.216 470 HD2 LYS 62 HD2 LYS 62 -37.331 17.742 24.074 471 HD3 LYS 62 HD3 LYS 62 -35.839 16.911 24.276 472 HE2 LYS 62 HE2 LYS 62 -36.234 20.027 24.740 473 HE3 LYS 62 HE3 LYS 62 -36.463 18.737 26.033 474 HZ1 LYS 62 HZ1 LYS 62 -34.312 19.220 26.385 475 HZ2 LYS 62 HZ2 LYS 62 -34.005 19.687 24.742 476 HZ3 LYS 62 HZ3 LYS 62 -34.114 18.070 25.214 477 H PHE 63 H PHE 63 -35.493 14.939 18.657 478 HA PHE 63 HA PHE 63 -38.174 13.748 18.911 479 HB2 PHE 63 HB2 PHE 63 -38.882 13.953 16.633 480 HB3 PHE 63 HB3 PHE 63 -38.490 15.584 17.143 481 HD1 PHE 63 HD1 PHE 63 -36.219 16.572 16.453 482 HD2 PHE 63 HD2 PHE 63 -37.762 12.904 14.814 483 HE1 PHE 63 HE1 PHE 63 -34.447 16.568 14.740 484 HE2 PHE 63 HE2 PHE 63 -35.907 12.853 13.174 485 HZ PHE 63 HZ PHE 63 -34.230 14.693 13.137 486 H THR 64 H THR 64 -38.368 11.728 17.640 487 HA THR 64 HA THR 64 -35.707 10.443 17.264 488 HB THR 64 HB THR 64 -38.279 8.957 17.477 489 HG1 THR 64 HG1 THR 64 -36.517 9.153 19.639 490 HG21 THR 64 HG21 THR 64 -35.416 8.076 17.945 491 HG22 THR 64 HG22 THR 64 -36.427 7.652 16.545 492 HG23 THR 64 HG23 THR 64 -36.858 7.082 18.169 493 H VAL 65 H VAL 65 -34.985 9.768 15.337 494 HA VAL 65 HA VAL 65 -36.425 10.666 13.013 495 HB VAL 65 HB VAL 65 -33.915 10.626 13.324 496 HG11 VAL 65 HG11 VAL 65 -33.735 8.177 13.860 497 HG12 VAL 65 HG12 VAL 65 -32.681 8.709 12.536 498 HG13 VAL 65 HG13 VAL 65 -34.168 7.806 12.180 499 HG21 VAL 65 HG21 VAL 65 -35.044 9.576 10.700 500 HG22 VAL 65 HG22 VAL 65 -33.539 10.476 10.971 501 HG23 VAL 65 HG23 VAL 65 -35.077 11.274 11.244 502 H GLY 66 H GLY 66 -37.488 9.623 11.346 503 HA2 GLY 66 HA2 GLY 66 -38.860 8.015 10.455 504 HA3 GLY 66 HA3 GLY 66 -38.159 6.797 11.526 505 H LYS 67 H LYS 67 -39.156 9.367 13.455 506 HA LYS 67 HA LYS 67 -41.840 8.162 13.931 507 HB2 LYS 67 HB2 LYS 67 -39.814 8.061 15.671 508 HB3 LYS 67 HB3 LYS 67 -40.329 9.708 16.046 509 HG2 LYS 67 HG2 LYS 67 -42.558 8.902 16.676 510 HG3 LYS 67 HG3 LYS 67 -42.179 7.279 16.058 511 HD2 LYS 67 HD2 LYS 67 -40.331 7.095 17.736 512 HD3 LYS 67 HD3 LYS 67 -40.819 8.665 18.412 513 HE2 LYS 67 HE2 LYS 67 -43.059 7.746 18.937 514 HE3 LYS 67 HE3 LYS 67 -42.611 6.202 18.193 515 HZ1 LYS 67 HZ1 LYS 67 -42.316 6.125 20.604 516 HZ2 LYS 67 HZ2 LYS 67 -41.263 7.387 20.556 517 HZ3 LYS 67 HZ3 LYS 67 -40.861 5.967 19.861 518 H GLU 68 H GLU 68 -43.443 9.689 14.719 519 HA GLU 68 HA GLU 68 -43.291 12.362 13.421 520 HB2 GLU 68 HB2 GLU 68 -44.341 10.468 12.101 521 HB3 GLU 68 HB3 GLU 68 -45.502 10.294 13.438 522 HG2 GLU 68 HG2 GLU 68 -45.334 13.129 12.141 523 HG3 GLU 68 HG3 GLU 68 -45.576 11.726 10.973 524 H SER 69 H SER 69 -45.136 13.530 14.036 525 HA SER 69 HA SER 69 -45.826 15.110 15.652 526 HB2 SER 69 HB2 SER 69 -46.883 12.439 16.889 527 HB3 SER 69 HB3 SER 69 -46.997 14.038 17.748 528 HG SER 69 HG SER 69 -47.780 13.386 15.116 529 H ASN 70 H ASN 70 -43.093 14.969 15.896 530 HA ASN 70 HA ASN 70 -43.089 16.242 18.572 531 HB2 ASN 70 HB2 ASN 70 -42.345 13.732 18.690 532 HB3 ASN 70 HB3 ASN 70 -40.836 14.307 17.980 533 HD21 ASN 70 HD21 ASN 70 -40.198 13.272 20.181 534 HD22 ASN 70 HD22 ASN 70 -40.253 14.382 21.548 535 H ILE 71 H ILE 71 -42.468 16.746 15.482 536 HA ILE 71 HA ILE 71 -39.765 17.871 15.526 537 HB ILE 71 HB ILE 71 -41.936 17.729 13.393 538 HG12 ILE 71 HG12 ILE 71 -40.232 16.314 12.204 539 HG13 ILE 71 HG13 ILE 71 -39.270 16.269 13.680 540 HG21 ILE 71 HG21 ILE 71 -40.107 18.566 11.843 541 HG22 ILE 71 HG22 ILE 71 -39.194 19.024 13.303 542 HG23 ILE 71 HG23 ILE 71 -40.759 19.757 12.962 543 HD11 ILE 71 HD11 ILE 71 -40.952 14.928 14.792 544 HD12 ILE 71 HD12 ILE 71 -40.762 14.247 13.184 545 HD13 ILE 71 HD13 ILE 71 -42.158 15.279 13.524 546 H GLN 72 H GLN 72 -39.368 19.857 16.198 547 HA GLN 72 HA GLN 72 -41.584 21.875 16.228 548 HB2 GLN 72 HB2 GLN 72 -39.143 21.518 17.986 549 HB3 GLN 72 HB3 GLN 72 -39.725 23.203 17.725 550 HG2 GLN 72 HG2 GLN 72 -41.986 22.559 18.557 551 HG3 GLN 72 HG3 GLN 72 -41.388 20.949 18.884 552 HE21 GLN 72 HE21 GLN 72 -39.415 20.927 20.630 553 HE22 GLN 72 HE22 GLN 72 -39.738 22.006 21.944 554 H THR 73 H THR 73 -41.010 24.112 15.574 555 HA THR 73 HA THR 73 -38.837 24.162 13.574 556 HB THR 73 HB THR 73 -39.915 26.072 12.677 557 HG1 THR 73 HG1 THR 73 -41.203 27.247 13.675 558 HG21 THR 73 HG21 THR 73 -41.885 23.827 13.258 559 HG22 THR 73 HG22 THR 73 -40.870 24.032 11.850 560 HG23 THR 73 HG23 THR 73 -42.202 25.155 12.149 561 H MET 74 H MET 74 -38.266 26.680 13.188 562 HA MET 74 HA MET 74 -36.320 27.483 15.170 563 HB2 MET 74 HB2 MET 74 -37.505 28.863 12.730 564 HB3 MET 74 HB3 MET 74 -36.256 29.587 13.747 565 HG2 MET 74 HG2 MET 74 -34.696 27.818 13.262 566 HG3 MET 74 HG3 MET 74 -35.951 26.862 12.466 567 HE1 MET 74 HE1 MET 74 -34.635 26.489 10.161 568 HE2 MET 74 HE2 MET 74 -33.280 27.217 11.045 569 HE3 MET 74 HE3 MET 74 -33.698 27.816 9.424 570 H GLY 75 H GLY 75 -39.684 28.846 14.398 571 HA2 GLY 75 HA2 GLY 75 -39.567 30.501 16.689 572 HA3 GLY 75 HA3 GLY 75 -40.952 30.117 15.585 573 H GLY 76 H GLY 76 -40.603 27.056 15.919 574 HA2 GLY 76 HA2 GLY 76 -40.460 25.632 18.005 575 HA3 GLY 76 HA3 GLY 76 -41.175 26.980 18.810 576 H LYS 77 H LYS 77 -42.474 26.404 15.707 577 HA LYS 77 HA LYS 77 -45.052 25.765 16.423 578 HB2 LYS 77 HB2 LYS 77 -44.501 26.994 14.611 579 HB3 LYS 77 HB3 LYS 77 -43.552 25.772 13.845 580 HG2 LYS 77 HG2 LYS 77 -45.510 24.298 13.506 581 HG3 LYS 77 HG3 LYS 77 -46.528 25.370 14.370 582 HD2 LYS 77 HD2 LYS 77 -47.041 26.185 12.239 583 HD3 LYS 77 HD3 LYS 77 -45.661 27.262 12.396 584 HE2 LYS 77 HE2 LYS 77 -44.092 25.606 11.391 585 HE3 LYS 77 HE3 LYS 77 -45.519 24.586 10.985 586 HZ1 LYS 77 HZ1 LYS 77 -45.025 27.440 9.920 587 HZ2 LYS 77 HZ2 LYS 77 -46.424 26.374 9.662 588 HZ3 LYS 77 HZ3 LYS 77 -44.806 25.971 9.265 589 H THR 78 H THR 78 -45.483 23.593 17.247 590 HA THR 78 HA THR 78 -43.806 21.285 16.512 591 HB THR 78 HB THR 78 -46.389 21.404 18.083 592 HG1 THR 78 HG1 THR 78 -44.574 22.301 19.129 593 HG21 THR 78 HG21 THR 78 -45.748 19.091 18.781 594 HG22 THR 78 HG22 THR 78 -44.444 19.103 17.578 595 HG23 THR 78 HG23 THR 78 -46.147 19.176 17.061 596 H PHE 79 H PHE 79 -44.111 20.172 14.655 597 HA PHE 79 HA PHE 79 -46.840 19.851 13.742 598 HB2 PHE 79 HB2 PHE 79 -46.422 20.306 11.346 599 HB3 PHE 79 HB3 PHE 79 -46.508 21.663 12.435 600 HD1 PHE 79 HD1 PHE 79 -43.171 20.319 12.741 601 HD2 PHE 79 HD2 PHE 79 -45.766 22.542 10.100 602 HE1 PHE 79 HE1 PHE 79 -41.216 21.184 11.519 603 HE2 PHE 79 HE2 PHE 79 -43.774 23.387 8.871 604 HZ PHE 79 HZ PHE 79 -41.507 22.688 9.569 605 H LYS 80 H LYS 80 -47.223 18.313 11.996 606 HA LYS 80 HA LYS 80 -45.831 15.829 12.870 607 HB2 LYS 80 HB2 LYS 80 -48.531 16.214 11.521 608 HB3 LYS 80 HB3 LYS 80 -47.808 14.688 11.994 609 HG2 LYS 80 HG2 LYS 80 -48.942 14.924 13.889 610 HG3 LYS 80 HG3 LYS 80 -47.616 15.967 14.378 611 HD2 LYS 80 HD2 LYS 80 -49.720 16.997 14.958 612 HD3 LYS 80 HD3 LYS 80 -48.949 17.962 13.705 613 HE2 LYS 80 HE2 LYS 80 -51.397 17.674 13.336 614 HE3 LYS 80 HE3 LYS 80 -50.425 17.053 11.997 615 HZ1 LYS 80 HZ1 LYS 80 -52.167 15.471 12.609 616 HZ2 LYS 80 HZ2 LYS 80 -51.578 15.367 14.148 617 HZ3 LYS 80 HZ3 LYS 80 -50.688 14.815 12.900 618 H ALA 81 H ALA 81 -44.150 15.384 11.596 619 HA ALA 81 HA ALA 81 -44.888 14.399 8.985 620 HB1 ALA 81 HB1 ALA 81 -42.892 15.408 7.827 621 HB2 ALA 81 HB2 ALA 81 -42.685 16.494 9.218 622 HB3 ALA 81 HB3 ALA 81 -44.165 16.562 8.222 623 H THR 82 H THR 82 -43.511 12.843 8.254 624 HA THR 82 HA THR 82 -41.718 11.423 10.042 625 HB THR 82 HB THR 82 -42.109 11.144 7.046 626 HG1 THR 82 HG1 THR 82 -43.461 9.449 7.697 627 HG21 THR 82 HG21 THR 82 -40.051 10.017 7.694 628 HG22 THR 82 HG22 THR 82 -41.310 8.804 7.448 629 HG23 THR 82 HG23 THR 82 -40.857 9.272 9.104 630 H VAL 83 H VAL 83 -39.491 11.621 10.257 631 HA VAL 83 HA VAL 83 -38.074 13.452 8.537 632 HB VAL 83 HB VAL 83 -37.108 12.314 11.224 633 HG11 VAL 83 HG11 VAL 83 -35.588 13.519 9.507 634 HG12 VAL 83 HG12 VAL 83 -35.610 14.090 11.170 635 HG13 VAL 83 HG13 VAL 83 -36.576 14.922 9.735 636 HG21 VAL 83 HG21 VAL 83 -39.155 14.539 10.783 637 HG22 VAL 83 HG22 VAL 83 -37.847 14.860 11.885 638 HG23 VAL 83 HG23 VAL 83 -38.858 13.338 12.203 639 H GLN 84 H GLN 84 -36.463 12.337 7.357 640 HA GLN 84 HA GLN 84 -35.889 9.507 8.020 641 HB2 GLN 84 HB2 GLN 84 -36.212 8.786 5.758 642 HB3 GLN 84 HB3 GLN 84 -37.710 9.347 6.462 643 HG2 GLN 84 HG2 GLN 84 -36.153 11.218 4.666 644 HG3 GLN 84 HG3 GLN 84 -37.001 9.874 3.967 645 HE21 GLN 84 HE21 GLN 84 -37.702 12.859 5.987 646 HE22 GLN 84 HE22 GLN 84 -39.428 12.641 5.774 647 H MET 85 H MET 85 -34.057 8.665 6.695 648 HA MET 85 HA MET 85 -32.019 10.755 6.260 649 HB2 MET 85 HB2 MET 85 -31.511 8.224 7.893 650 HB3 MET 85 HB3 MET 85 -30.309 9.413 7.381 651 HG2 MET 85 HG2 MET 85 -31.643 11.137 8.692 652 HG3 MET 85 HG3 MET 85 -32.597 9.782 9.297 653 HE1 MET 85 HE1 MET 85 -28.605 9.996 8.723 654 HE2 MET 85 HE2 MET 85 -28.170 10.698 10.293 655 HE3 MET 85 HE3 MET 85 -29.220 11.604 9.178 656 H GLU 86 H GLU 86 -31.244 10.522 4.244 657 HA GLU 86 HA GLU 86 -30.821 7.796 3.271 658 HB2 GLU 86 HB2 GLU 86 -30.949 10.377 1.884 659 HB3 GLU 86 HB3 GLU 86 -30.351 8.903 1.069 660 HG2 GLU 86 HG2 GLU 86 -32.716 9.052 0.424 661 HG3 GLU 86 HG3 GLU 86 -32.857 8.060 2.006 662 H GLY 87 H GLY 87 -28.620 7.067 3.708 663 HA2 GLY 87 HA2 GLY 87 -26.601 6.948 3.847 664 HA3 GLY 87 HA3 GLY 87 -26.348 8.502 2.960 665 H GLY 88 H GLY 88 -27.079 10.498 4.457 666 HA2 GLY 88 HA2 GLY 88 -26.057 10.411 7.175 667 HA3 GLY 88 HA3 GLY 88 -24.910 11.088 5.982 668 H LYS 89 H LYS 89 -28.446 11.475 6.161 669 HA LYS 89 HA LYS 89 -28.186 14.319 6.684 670 HB2 LYS 89 HB2 LYS 89 -28.947 15.272 4.608 671 HB3 LYS 89 HB3 LYS 89 -27.823 13.973 4.121 672 HG2 LYS 89 HG2 LYS 89 -29.873 12.410 3.789 673 HG3 LYS 89 HG3 LYS 89 -30.896 13.844 4.099 674 HD2 LYS 89 HD2 LYS 89 -29.341 14.996 2.140 675 HD3 LYS 89 HD3 LYS 89 -28.806 13.466 1.775 676 HE2 LYS 89 HE2 LYS 89 -31.884 14.048 1.896 677 HE3 LYS 89 HE3 LYS 89 -30.929 14.702 0.547 678 HZ1 LYS 89 HZ1 LYS 89 -31.401 12.555 -0.362 679 HZ2 LYS 89 HZ2 LYS 89 -31.752 11.984 1.157 680 HZ3 LYS 89 HZ3 LYS 89 -30.165 11.980 0.642 681 H LEU 90 H LEU 90 -30.103 15.512 7.153 682 HA LEU 90 HA LEU 90 -32.380 13.628 7.801 683 HB2 LEU 90 HB2 LEU 90 -31.362 16.001 9.348 684 HB3 LEU 90 HB3 LEU 90 -32.969 15.335 9.588 685 HG LEU 90 HG LEU 90 -30.552 13.543 9.860 686 HD11 LEU 90 HD11 LEU 90 -31.820 15.266 12.041 687 HD12 LEU 90 HD12 LEU 90 -30.161 15.390 11.429 688 HD13 LEU 90 HD13 LEU 90 -30.662 13.949 12.316 689 HD21 LEU 90 HD21 LEU 90 -32.899 12.589 9.739 690 HD22 LEU 90 HD22 LEU 90 -33.295 13.513 11.194 691 HD23 LEU 90 HD23 LEU 90 -32.051 12.254 11.263 692 H VAL 91 H VAL 91 -34.427 14.129 7.135 693 HA VAL 91 HA VAL 91 -34.833 16.726 5.704 694 HB VAL 91 HB VAL 91 -34.030 15.542 3.888 695 HG11 VAL 91 HG11 VAL 91 -33.390 13.450 4.864 696 HG12 VAL 91 HG12 VAL 91 -34.360 13.090 3.441 697 HG13 VAL 91 HG13 VAL 91 -35.088 12.981 5.055 698 HG21 VAL 91 HG21 VAL 91 -35.762 14.698 2.449 699 HG22 VAL 91 HG22 VAL 91 -36.455 16.041 3.375 700 HG23 VAL 91 HG23 VAL 91 -36.837 14.365 3.815 701 H VAL 92 H VAL 92 -36.922 17.377 5.657 702 HA VAL 92 HA VAL 92 -39.022 15.362 6.293 703 HB VAL 92 HB VAL 92 -40.509 17.067 7.183 704 HG11 VAL 92 HG11 VAL 92 -39.247 15.645 8.694 705 HG12 VAL 92 HG12 VAL 92 -39.489 17.253 9.399 706 HG13 VAL 92 HG13 VAL 92 -37.906 16.803 8.700 707 HG21 VAL 92 HG21 VAL 92 -39.595 19.090 6.204 708 HG22 VAL 92 HG22 VAL 92 -38.089 18.908 7.125 709 HG23 VAL 92 HG23 VAL 92 -39.613 19.242 7.968 710 H ASN 93 H ASN 93 -40.979 15.748 5.235 711 HA ASN 93 HA ASN 93 -41.015 17.345 2.745 712 HB2 ASN 93 HB2 ASN 93 -42.246 15.201 1.795 713 HB3 ASN 93 HB3 ASN 93 -40.396 15.265 1.940 714 HD21 ASN 93 HD21 ASN 93 -39.994 13.194 2.022 715 HD22 ASN 93 HD22 ASN 93 -40.239 12.109 3.309 716 H PHE 94 H PHE 94 -42.708 18.457 2.580 717 HA PHE 94 HA PHE 94 -45.304 17.481 3.613 718 HB2 PHE 94 HB2 PHE 94 -44.218 20.307 3.905 719 HB3 PHE 94 HB3 PHE 94 -45.872 19.862 4.194 720 HD1 PHE 94 HD1 PHE 94 -42.423 19.517 5.477 721 HD2 PHE 94 HD2 PHE 94 -46.609 18.981 6.298 722 HE1 PHE 94 HE1 PHE 94 -41.942 19.483 7.928 723 HE2 PHE 94 HE2 PHE 94 -46.125 18.892 8.726 724 HZ PHE 94 HZ PHE 94 -43.795 19.192 9.547 725 HA PRO 95 HA PRO 95 -46.573 18.814 -0.443 726 HB2 PRO 95 HB2 PRO 95 -48.780 20.524 0.729 727 HB3 PRO 95 HB3 PRO 95 -48.867 19.324 -0.596 728 HG2 PRO 95 HG2 PRO 95 -49.733 18.642 1.867 729 HG3 PRO 95 HG3 PRO 95 -48.701 17.497 0.942 730 HD2 PRO 95 HD2 PRO 95 -47.869 19.391 3.156 731 HD3 PRO 95 HD3 PRO 95 -47.449 17.668 2.917 732 H ASN 96 H ASN 96 -45.973 21.254 1.896 733 HA ASN 96 HA ASN 96 -45.275 23.270 -0.188 734 HB2 ASN 96 HB2 ASN 96 -47.062 24.263 0.931 735 HB3 ASN 96 HB3 ASN 96 -46.632 23.564 2.490 736 HD21 ASN 96 HD21 ASN 96 -46.064 26.322 0.365 737 HD22 ASN 96 HD22 ASN 96 -45.114 27.160 1.584 738 H TYR 97 H TYR 97 -44.338 22.271 3.153 739 HA TYR 97 HA TYR 97 -41.762 23.512 2.752 740 HB2 TYR 97 HB2 TYR 97 -43.067 23.776 4.801 741 HB3 TYR 97 HB3 TYR 97 -42.807 22.052 5.162 742 HD1 TYR 97 HD1 TYR 97 -41.104 25.321 4.638 743 HD2 TYR 97 HD2 TYR 97 -40.689 21.251 5.953 744 HE1 TYR 97 HE1 TYR 97 -38.874 25.853 5.584 745 HE2 TYR 97 HE2 TYR 97 -38.458 21.785 6.900 746 HH TYR 97 HH TYR 97 -36.623 23.665 6.338 747 H HIS 98 H HIS 98 -39.677 22.604 2.718 748 HA HIS 98 HA HIS 98 -39.350 19.693 3.236 749 HB2 HIS 98 HB2 HIS 98 -39.703 20.303 0.703 750 HB3 HIS 98 HB3 HIS 98 -38.099 21.011 0.813 751 HD1 HIS 98 HD1 HIS 98 -39.851 17.682 0.626 752 HD2 HIS 98 HD2 HIS 98 -35.980 19.273 1.166 753 HE1 HIS 98 HE1 HIS 98 -38.191 15.704 0.351 754 H GLN 99 H GLN 99 -37.181 19.107 3.882 755 HA GLN 99 HA GLN 99 -35.093 21.221 3.868 756 HB2 GLN 99 HB2 GLN 99 -36.336 20.808 6.258 757 HB3 GLN 99 HB3 GLN 99 -35.159 19.515 6.336 758 HG2 GLN 99 HG2 GLN 99 -33.663 21.752 5.438 759 HG3 GLN 99 HG3 GLN 99 -34.815 22.439 6.575 760 HE21 GLN 99 HE21 GLN 99 -32.383 19.827 6.325 761 HE22 GLN 99 HE22 GLN 99 -32.040 19.858 8.044 762 H THR 100 H THR 100 -32.721 20.195 4.026 763 HA THR 100 HA THR 100 -32.393 17.492 4.252 764 HB THR 100 HB THR 100 -30.871 17.938 1.990 765 HG1 THR 100 HG1 THR 100 -31.818 20.101 1.713 766 HG21 THR 100 HG21 THR 100 -33.785 17.119 1.631 767 HG22 THR 100 HG22 THR 100 -32.349 16.035 2.205 768 HG23 THR 100 HG23 THR 100 -32.346 16.855 0.637 769 H SER 101 H SER 101 -29.970 17.101 4.557 770 HA SER 101 HA SER 101 -28.518 19.529 5.348 771 HB2 SER 101 HB2 SER 101 -30.657 18.434 7.033 772 HB3 SER 101 HB3 SER 101 -29.131 18.313 7.841 773 HG SER 101 HG SER 101 -30.043 20.671 6.588 774 H GLU 102 H GLU 102 -26.392 19.038 5.435 775 HA GLU 102 HA GLU 102 -25.574 16.557 6.796 776 HB2 GLU 102 HB2 GLU 102 -24.315 15.710 4.789 777 HB3 GLU 102 HB3 GLU 102 -26.039 15.513 4.841 778 HG2 GLU 102 HG2 GLU 102 -25.583 17.959 3.408 779 HG3 GLU 102 HG3 GLU 102 -24.430 16.779 2.810 780 H ILE 103 H ILE 103 -23.247 16.098 6.674 781 HA ILE 103 HA ILE 103 -21.721 18.592 7.305 782 HB ILE 103 HB ILE 103 -21.229 15.713 8.184 783 HG12 ILE 103 HG12 ILE 103 -22.169 18.203 9.616 784 HG13 ILE 103 HG13 ILE 103 -23.101 16.755 9.322 785 HG21 ILE 103 HG21 ILE 103 -19.625 18.249 8.781 786 HG22 ILE 103 HG22 ILE 103 -19.078 16.864 7.825 787 HG23 ILE 103 HG23 ILE 103 -19.353 16.664 9.536 788 HD11 ILE 103 HD11 ILE 103 -22.477 16.808 11.640 789 HD12 ILE 103 HD12 ILE 103 -20.765 17.007 11.251 790 HD13 ILE 103 HD13 ILE 103 -21.596 15.480 10.856 791 H VAL 104 H VAL 104 -19.938 19.070 5.993 792 HA VAL 104 HA VAL 104 -18.803 16.808 4.399 793 HB VAL 104 HB VAL 104 -19.094 19.721 3.515 794 HG11 VAL 104 HG11 VAL 104 -18.636 18.163 1.204 795 HG12 VAL 104 HG12 VAL 104 -17.633 17.288 2.460 796 HG13 VAL 104 HG13 VAL 104 -17.281 18.917 2.127 797 HG21 VAL 104 HG21 VAL 104 -20.641 18.888 1.741 798 HG22 VAL 104 HG22 VAL 104 -21.275 19.093 3.483 799 HG23 VAL 104 HG23 VAL 104 -20.934 17.486 2.867 800 H GLY 105 H GLY 105 -17.202 16.388 5.643 801 HA2 GLY 105 HA2 GLY 105 -15.176 16.397 6.731 802 HA3 GLY 105 HA3 GLY 105 -14.873 17.959 5.820 803 H ASP 106 H ASP 106 -14.547 19.591 7.216 804 HA ASP 106 HA ASP 106 -15.604 19.519 9.963 805 HB2 ASP 106 HB2 ASP 106 -13.339 20.923 8.687 806 HB3 ASP 106 HB3 ASP 106 -14.158 21.813 9.947 807 H LYS 107 H LYS 107 -17.045 20.542 7.211 808 HA LYS 107 HA LYS 107 -18.216 23.037 8.421 809 HB2 LYS 107 HB2 LYS 107 -17.973 22.457 5.453 810 HB3 LYS 107 HB3 LYS 107 -18.403 23.980 6.230 811 HG2 LYS 107 HG2 LYS 107 -15.673 22.634 6.161 812 HG3 LYS 107 HG3 LYS 107 -16.146 24.098 5.310 813 HD2 LYS 107 HD2 LYS 107 -16.232 25.385 7.342 814 HD3 LYS 107 HD3 LYS 107 -16.160 23.936 8.349 815 HE2 LYS 107 HE2 LYS 107 -13.904 23.444 7.154 816 HE3 LYS 107 HE3 LYS 107 -13.946 25.146 6.678 817 HZ1 LYS 107 HZ1 LYS 107 -14.102 25.701 9.057 818 HZ2 LYS 107 HZ2 LYS 107 -12.754 24.801 8.779 819 HZ3 LYS 107 HZ3 LYS 107 -14.073 24.105 9.461 820 H LEU 108 H LEU 108 -20.557 23.394 8.043 821 HA LEU 108 HA LEU 108 -21.899 20.786 7.574 822 HB2 LEU 108 HB2 LEU 108 -22.221 22.826 9.846 823 HB3 LEU 108 HB3 LEU 108 -23.217 21.364 9.665 824 HG LEU 108 HG LEU 108 -20.673 20.136 9.705 825 HD11 LEU 108 HD11 LEU 108 -19.517 22.266 10.304 826 HD12 LEU 108 HD12 LEU 108 -19.319 20.845 11.426 827 HD13 LEU 108 HD13 LEU 108 -20.532 22.163 11.866 828 HD21 LEU 108 HD21 LEU 108 -21.332 19.489 11.981 829 HD22 LEU 108 HD22 LEU 108 -22.384 20.953 12.203 830 HD23 LEU 108 HD23 LEU 108 -22.835 19.682 10.973 831 H VAL 109 H VAL 109 -23.589 20.955 6.196 832 HA VAL 109 HA VAL 109 -24.429 23.694 5.459 833 HB VAL 109 HB VAL 109 -24.243 21.253 3.564 834 HG11 VAL 109 HG11 VAL 109 -24.371 22.891 1.744 835 HG12 VAL 109 HG12 VAL 109 -24.327 24.260 2.958 836 HG13 VAL 109 HG13 VAL 109 -25.798 23.218 2.804 837 HG21 VAL 109 HG21 VAL 109 -21.958 22.422 2.765 838 HG22 VAL 109 HG22 VAL 109 -21.940 21.904 4.420 839 HG23 VAL 109 HG23 VAL 109 -22.302 23.641 4.005 840 H GLU 110 H GLU 110 -26.722 24.132 5.303 841 HA GLU 110 HA GLU 110 -28.580 21.862 5.203 842 HB2 GLU 110 HB2 GLU 110 -28.792 22.857 7.501 843 HB3 GLU 110 HB3 GLU 110 -28.993 24.450 6.691 844 HG2 GLU 110 HG2 GLU 110 -30.937 22.186 5.919 845 HG3 GLU 110 HG3 GLU 110 -30.963 22.883 7.557 846 H VAL 111 H VAL 111 -29.937 21.800 3.478 847 HA VAL 111 HA VAL 111 -30.353 24.275 2.086 848 HB VAL 111 HB VAL 111 -28.645 23.005 0.981 849 HG11 VAL 111 HG11 VAL 111 -30.454 20.759 0.068 850 HG12 VAL 111 HG12 VAL 111 -29.961 20.668 1.821 851 HG13 VAL 111 HG13 VAL 111 -28.663 20.590 0.602 852 HG21 VAL 111 HG21 VAL 111 -31.268 23.110 -0.544 853 HG22 VAL 111 HG22 VAL 111 -29.596 23.073 -1.349 854 HG23 VAL 111 HG23 VAL 111 -30.104 24.392 -0.409 855 H SER 112 H SER 112 -32.405 24.533 1.404 856 HA SER 112 HA SER 112 -34.498 22.802 2.670 857 HB2 SER 112 HB2 SER 112 -32.979 24.739 3.904 858 HB3 SER 112 HB3 SER 112 -34.295 25.721 3.317 859 HG SER 112 HG SER 112 -34.133 24.211 5.434 860 H THR 113 H THR 113 -36.694 23.211 1.787 861 HA THR 113 HA THR 113 -36.705 25.156 -0.387 862 HB THR 113 HB THR 113 -37.958 22.537 -0.690 863 HG1 THR 113 HG1 THR 113 -35.604 22.494 -0.346 864 HG21 THR 113 HG21 THR 113 -37.503 23.051 -3.268 865 HG22 THR 113 HG22 THR 113 -36.660 24.538 -2.649 866 HG23 THR 113 HG23 THR 113 -38.540 24.311 -2.495 867 H ILE 114 H ILE 114 -38.639 26.348 -0.498 868 HA ILE 114 HA ILE 114 -41.051 25.024 0.696 869 HB ILE 114 HB ILE 114 -40.333 27.930 1.188 870 HG12 ILE 114 HG12 ILE 114 -40.861 25.599 3.069 871 HG13 ILE 114 HG13 ILE 114 -39.249 26.125 2.637 872 HG21 ILE 114 HG21 ILE 114 -42.729 27.781 0.744 873 HG22 ILE 114 HG22 ILE 114 -42.582 27.780 2.495 874 HG23 ILE 114 HG23 ILE 114 -42.851 26.258 1.665 875 HD11 ILE 114 HD11 ILE 114 -41.265 27.716 4.237 876 HD12 ILE 114 HD12 ILE 114 -39.788 28.427 3.531 877 HD13 ILE 114 HD13 ILE 114 -39.681 27.115 4.716 878 H GLY 115 H GLY 115 -42.486 24.666 -0.818 879 HA2 GLY 115 HA2 GLY 115 -43.799 25.053 -2.693 880 HA3 GLY 115 HA3 GLY 115 -43.556 26.785 -2.397 881 H GLY 116 H GLY 116 -40.814 24.654 -3.066 882 HA2 GLY 116 HA2 GLY 116 -39.600 24.347 -4.942 883 HA3 GLY 116 HA3 GLY 116 -40.675 25.516 -5.839 884 H VAL 117 H VAL 117 -39.500 27.064 -3.091 885 HA VAL 117 HA VAL 117 -37.233 28.189 -4.661 886 HB VAL 117 HB VAL 117 -39.132 29.743 -4.075 887 HG11 VAL 117 HG11 VAL 117 -39.398 30.528 -1.824 888 HG12 VAL 117 HG12 VAL 117 -37.793 29.792 -1.347 889 HG13 VAL 117 HG13 VAL 117 -39.269 28.758 -1.649 890 HG21 VAL 117 HG21 VAL 117 -36.147 30.145 -3.118 891 HG22 VAL 117 HG22 VAL 117 -37.373 31.365 -3.529 892 HG23 VAL 117 HG23 VAL 117 -36.741 30.282 -4.822 893 H THR 118 H THR 118 -35.295 27.741 -4.038 894 HA THR 118 HA THR 118 -34.806 26.222 -1.660 895 HB THR 118 HB THR 118 -32.527 27.142 -3.322 896 HG1 THR 118 HG1 THR 118 -33.118 25.317 -4.717 897 HG21 THR 118 HG21 THR 118 -31.819 24.768 -3.012 898 HG22 THR 118 HG22 THR 118 -33.259 24.481 -2.014 899 HG23 THR 118 HG23 THR 118 -32.006 25.630 -1.494 900 H TYR 119 H TYR 119 -33.456 26.519 0.055 901 HA TYR 119 HA TYR 119 -32.102 29.101 0.440 902 HB2 TYR 119 HB2 TYR 119 -34.011 29.479 1.703 903 HB3 TYR 119 HB3 TYR 119 -34.039 27.841 2.325 904 HD1 TYR 119 HD2 TYR 119 -32.078 27.070 3.878 905 HD2 TYR 119 HD1 TYR 119 -33.199 31.162 3.154 906 HE1 TYR 119 HE2 TYR 119 -31.017 27.730 5.959 907 HE2 TYR 119 HE1 TYR 119 -32.151 31.819 5.339 908 HH TYR 119 HH TYR 119 -31.287 30.964 7.397 909 H GLU 120 H GLU 120 -30.134 28.987 1.657 910 HA GLU 120 HA GLU 120 -29.147 26.290 2.166 911 HB2 GLU 120 HB2 GLU 120 -28.789 26.897 -0.230 912 HB3 GLU 120 HB3 GLU 120 -27.654 28.198 0.335 913 HG2 GLU 120 HG2 GLU 120 -26.316 26.436 1.382 914 HG3 GLU 120 HG3 GLU 120 -27.302 25.124 0.783 915 H ARG 121 H ARG 121 -27.535 26.266 3.728 916 HA ARG 121 HA ARG 121 -26.151 28.730 4.529 917 HB2 ARG 121 HB2 ARG 121 -26.882 28.574 6.882 918 HB3 ARG 121 HB3 ARG 121 -28.216 28.974 5.798 919 HG2 ARG 121 HG2 ARG 121 -29.003 26.637 5.852 920 HG3 ARG 121 HG3 ARG 121 -27.622 26.176 6.857 921 HD2 ARG 121 HD2 ARG 121 -28.373 27.919 8.500 922 HD3 ARG 121 HD3 ARG 121 -29.885 28.056 7.649 923 HE ARG 121 HE ARG 121 -28.853 25.682 9.129 924 HH11 ARG 121 HH11 ARG 121 -31.483 26.578 7.230 925 HH12 ARG 121 HH12 ARG 121 -32.643 25.847 8.158 926 HH21 ARG 121 HH21 ARG 121 -30.403 24.745 10.464 927 HH22 ARG 121 HH22 ARG 121 -32.082 24.901 10.034 928 H VAL 122 H VAL 122 -24.539 28.443 5.968 929 HA VAL 122 HA VAL 122 -23.372 25.677 6.279 930 HB VAL 122 HB VAL 122 -21.986 28.181 5.316 931 HG11 VAL 122 HG11 VAL 122 -20.474 26.203 6.516 932 HG12 VAL 122 HG12 VAL 122 -20.095 26.806 4.864 933 HG13 VAL 122 HG13 VAL 122 -20.961 25.283 5.010 934 HG21 VAL 122 HG21 VAL 122 -23.515 27.384 3.664 935 HG22 VAL 122 HG22 VAL 122 -22.709 25.705 3.586 936 HG23 VAL 122 HG23 VAL 122 -21.869 27.175 3.047 937 H SER 123 H SER 123 -22.263 25.316 8.070 938 HA SER 123 HA SER 123 -21.418 27.627 9.758 939 HB2 SER 123 HB2 SER 123 -23.407 26.875 10.738 940 HB3 SER 123 HB3 SER 123 -22.946 25.157 10.580 941 HG SER 123 HG SER 123 -21.750 27.142 12.193 942 H LYS 124 H LYS 124 -19.801 27.277 11.271 943 HA LYS 124 HA LYS 124 -17.893 25.044 10.739 944 HB2 LYS 124 HB2 LYS 124 -16.175 26.430 11.830 945 HB3 LYS 124 HB3 LYS 124 -16.751 27.111 10.319 946 HG2 LYS 124 HG2 LYS 124 -17.926 28.114 12.930 947 HG3 LYS 124 HG3 LYS 124 -16.309 28.605 12.466 948 HD2 LYS 124 HD2 LYS 124 -17.070 29.742 10.496 949 HD3 LYS 124 HD3 LYS 124 -18.664 28.995 10.587 950 HE2 LYS 124 HE2 LYS 124 -18.914 31.254 11.363 951 HE3 LYS 124 HE3 LYS 124 -19.123 30.148 12.713 952 HZ1 LYS 124 HZ1 LYS 124 -17.787 31.877 13.495 953 HZ2 LYS 124 HZ2 LYS 124 -16.743 31.843 12.220 954 HZ3 LYS 124 HZ3 LYS 124 -16.816 30.647 13.384 955 H ARG 125 H ARG 125 -17.538 23.613 12.254 956 HA ARG 125 HA ARG 125 -18.760 23.686 14.905 957 HB2 ARG 125 HB2 ARG 125 -17.972 21.511 15.216 958 HB3 ARG 125 HB3 ARG 125 -18.447 21.609 13.517 959 HG2 ARG 125 HG2 ARG 125 -16.126 21.651 12.794 960 HG3 ARG 125 HG3 ARG 125 -15.581 21.573 14.485 961 HD2 ARG 125 HD2 ARG 125 -16.790 19.455 14.814 962 HD3 ARG 125 HD3 ARG 125 -17.440 19.538 13.159 963 HE ARG 125 HE ARG 125 -14.665 19.612 12.874 964 HH11 ARG 125 HH11 ARG 125 -16.873 17.257 14.216 965 HH12 ARG 125 HH12 ARG 125 -15.893 15.919 13.654 966 HH21 ARG 125 HH21 ARG 125 -13.666 17.908 12.010 967 HH22 ARG 125 HH22 ARG 125 -14.119 16.280 12.394 968 H LEU 126 H LEU 126 -17.902 23.951 16.879 969 HA LEU 126 HA LEU 126 -14.994 24.111 17.118 970 HB2 LEU 126 HB2 LEU 126 -14.869 26.252 18.189 971 HB3 LEU 126 HB3 LEU 126 -15.379 26.369 16.535 972 HG LEU 126 HG LEU 126 -16.388 28.037 17.931 973 HD11 LEU 126 HD11 LEU 126 -17.659 27.190 15.954 974 HD12 LEU 126 HD12 LEU 126 -18.632 27.961 17.204 975 HD13 LEU 126 HD13 LEU 126 -18.628 26.191 17.057 976 HD21 LEU 126 HD21 LEU 126 -16.535 26.808 20.052 977 HD22 LEU 126 HD22 LEU 126 -17.885 25.855 19.397 978 HD23 LEU 126 HD23 LEU 126 -18.042 27.624 19.604 979 H ALA 127 H ALA 127 -17.207 22.273 18.103 980 HA ALA 127 HA ALA 127 -16.901 22.377 21.018 981 HB1 ALA 127 HB1 ALA 127 -17.576 19.908 19.408 982 HB2 ALA 127 HB2 ALA 127 -18.829 21.291 19.748 983 HB3 ALA 127 HB3 ALA 127 -18.094 20.360 21.106 984 H12 GCH 201 H12 GCH 128 -27.857 16.909 11.044 985 H1 GCH 201 H1 GCH 128 -30.008 18.424 10.164 986 H10 GCH 201 H10 GCH 128 -28.259 19.455 9.510 987 H11 GCH 201 H11 GCH 128 -27.273 17.972 8.963 988 H9 GCH 201 H9 GCH 128 -25.559 18.513 10.768 989 H4 GCH 201 H4 GCH 128 -26.957 18.661 13.172 990 H5 GCH 201 H5 GCH 128 -27.982 20.065 13.345 991 H2 GCH 201 H2 GCH 128 -29.619 19.300 11.702 992 H3 GCH 201 H3 GCH 128 -29.040 17.888 12.708 993 H6 GCH 201 H6 GCH 128 -24.500 20.967 12.173 994 H7 GCH 201 H7 GCH 128 -25.529 20.542 13.543 995 H8 GCH 201 H8 GCH 128 -24.725 19.271 12.595 996 H17 GCH 201 H17 GCH 128 -25.969 19.397 8.312 997 H18 GCH 201 H18 GCH 128 -24.557 19.892 9.257 998 H16 GCH 201 H16 GCH 128 -25.073 22.104 8.560 999 H13 GCH 201 H13 GCH 128 -27.461 20.826 8.384 1000 H15 GCH 201 H15 GCH 128 -25.055 22.356 10.945 1001 H14 GCH 201 H14 GCH 128 -27.935 21.716 10.803 1002 H41 GCH 201 H41 GCH 128 -28.043 22.161 13.386 1003 H42 GCH 201 H42 GCH 128 -26.352 22.494 13.403 1004 H40 GCH 201 H40 GCH 128 -27.732 24.585 13.389 1005 H35 GCH 201 H35 GCH 128 -27.592 23.773 9.818 1006 H33 GCH 201 H33 GCH 128 -25.908 24.277 8.123 1007 H34 GCH 201 H34 GCH 128 -24.636 24.312 9.418 1008 H31 GCH 201 H31 GCH 128 -26.591 26.520 8.826 1009 H32 GCH 201 H32 GCH 128 -25.212 26.635 9.952 1010 H30 GCH 201 H30 GCH 128 -28.002 25.893 10.524 1011 H29 GCH 201 H29 GCH 128 -26.830 28.063 11.133 1012 H19 GCH 201 H19 GCH 128 -26.105 26.554 13.654 1013 H20 GCH 201 H20 GCH 128 -24.991 27.506 12.649 1014 H21 GCH 201 H21 GCH 128 -26.315 28.358 13.457 1015 H27 GCH 201 H27 GCH 128 -29.127 26.616 12.046 1016 H28 GCH 201 H28 GCH 128 -28.446 27.774 13.293 1017 H25 GCH 201 H25 GCH 128 -28.639 29.631 11.566 1018 H26 GCH 201 H26 GCH 128 -28.903 28.509 10.252 1019 H24 GCH 201 H24 GCH 128 -30.386 30.531 10.345 1020 H22 GCH 201 H22 GCH 128 -32.777 30.728 11.886 1021 H23 GCH 201 H23 GCH 128 -32.910 29.921 10.211 1022 H36 GCH 201 H36 GCH 128 -24.465 23.885 12.011 1023 H37 GCH 201 H37 GCH 128 -24.667 25.580 12.118 1024 H38 GCH 201 H38 GCH 128 -25.477 24.572 13.333 1025 H39 GCH 201 H39 GCH 128 -29.619 23.790 12.425 1026 H11 CHO 202 H11 CHO 129 -35.559 17.305 9.367 1027 H12 CHO 202 H12 CHO 129 -34.715 16.379 10.598 1028 H21 CHO 202 H21 CHO 129 -33.213 17.525 8.937 1029 H22 CHO 202 H22 CHO 129 -33.968 19.066 9.242 1030 H3 CHO 202 H3 CHO 129 -32.133 17.476 11.188 1031 HO3 CHO 202 HO3 CHO 129 -32.304 20.127 10.341 1032 H41 CHO 202 H41 CHO 129 -32.678 18.617 12.980 1033 H42 CHO 202 H42 CHO 129 -33.441 20.002 11.960 1034 H5 CHO 202 H5 CHO 129 -34.444 17.210 12.658 1035 H61 CHO 202 H61 CHO 129 -36.176 18.282 14.080 1036 H62 CHO 202 H62 CHO 129 -34.587 18.891 14.489 1037 H7 CHO 202 H7 CHO 129 -36.788 20.578 14.127 1038 HO7 CHO 202 HO7 CHO 129 -35.153 21.930 14.106 1039 H8 CHO 202 H8 CHO 129 -37.451 20.248 12.161 1040 H9 CHO 202 H9 CHO 129 -34.959 20.119 10.471 1041 H111 CHO 202 H111 CHO 129 -36.558 19.330 8.817 1042 H112 CHO 202 H112 CHO 129 -37.894 19.503 9.918 1043 H121 CHO 202 H121 CHO 129 -37.984 21.351 8.580 1044 H122 CHO 202 H122 CHO 129 -36.316 21.728 8.565 1045 H14 CHO 202 H14 CHO 129 -35.171 22.127 10.948 1046 H151 CHO 202 H151 CHO 129 -36.947 22.952 13.248 1047 H152 CHO 202 H152 CHO 129 -35.287 23.585 12.883 1048 H161 CHO 202 H161 CHO 129 -37.396 24.905 12.032 1049 H162 CHO 202 H162 CHO 129 -35.706 24.988 11.496 1050 H17 CHO 202 H17 CHO 129 -35.883 23.752 9.655 1051 H181 CHO 202 H181 CHO 129 -38.856 22.700 12.021 1052 H182 CHO 202 H182 CHO 129 -39.452 22.591 10.252 1053 H183 CHO 202 H183 CHO 129 -38.932 21.173 11.280 1054 H191 CHO 202 H191 CHO 129 -36.674 16.403 12.042 1055 H192 CHO 202 H192 CHO 129 -37.638 17.803 12.461 1056 H193 CHO 202 H193 CHO 129 -37.606 17.300 10.797 1057 H20 CHO 202 H20 CHO 129 -38.290 23.882 8.584 1058 H211 CHO 202 H211 CHO 129 -36.559 26.463 9.071 1059 H212 CHO 202 H212 CHO 129 -36.082 25.033 8.060 1060 H213 CHO 202 H213 CHO 129 -37.494 25.949 7.592 1061 H221 CHO 202 H221 CHO 129 -38.354 26.600 10.245 1062 H222 CHO 202 H222 CHO 129 -39.127 25.189 11.012 1063 H231 CHO 202 H231 CHO 129 -39.980 25.802 8.210 1064 H232 CHO 202 H232 CHO 129 -40.497 24.496 9.157 1065 HN CHO 202 HN CHO 129 -40.142 27.512 11.178 1066 H261 CHO 202 H261 CHO 129 -42.400 28.990 10.731 1067 H262 CHO 202 H262 CHO 129 -43.063 27.627 11.713 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -25.809 11.760 13.123 2 H2 ALA 1 H2 ALA 1 -24.896 10.492 12.557 3 H3 ALA 1 H3 ALA 1 -24.899 11.946 11.727 4 HA ALA 1 HA ALA 1 -23.818 11.470 14.506 5 HB1 ALA 1 HB1 ALA 1 -22.470 10.066 13.107 6 HB2 ALA 1 HB2 ALA 1 -21.446 11.433 13.474 7 HB3 ALA 1 HB3 ALA 1 -22.261 11.385 11.859 8 H PHE 2 H PHE 2 -24.974 13.738 14.644 9 HA PHE 2 HA PHE 2 -23.680 16.003 13.114 10 HB2 PHE 2 HB2 PHE 2 -26.513 15.428 14.041 11 HB3 PHE 2 HB3 PHE 2 -26.050 17.076 13.625 12 HD1 PHE 2 HD2 PHE 2 -24.458 17.025 11.263 13 HD2 PHE 2 HD1 PHE 2 -27.593 14.417 12.496 14 HE1 PHE 2 HE2 PHE 2 -25.137 16.672 8.867 15 HE2 PHE 2 HE1 PHE 2 -28.113 13.877 10.153 16 HZ PHE 2 HZ PHE 2 -27.085 15.073 8.332 17 H THR 3 H THR 3 -23.768 14.728 16.104 18 HA THR 3 HA THR 3 -24.345 16.810 17.919 19 HB THR 3 HB THR 3 -22.267 14.504 18.066 20 HG1 THR 3 HG1 THR 3 -24.231 13.721 18.130 21 HG21 THR 3 HG21 THR 3 -21.483 15.865 19.853 22 HG22 THR 3 HG22 THR 3 -22.560 14.742 20.695 23 HG23 THR 3 HG23 THR 3 -23.189 16.398 20.369 24 H GLY 4 H GLY 4 -23.376 18.627 18.843 25 HA2 GLY 4 HA2 GLY 4 -20.858 18.994 19.571 26 HA3 GLY 4 HA3 GLY 4 -20.672 19.411 17.831 27 H LYS 5 H LYS 5 -20.202 21.410 18.056 28 HA LYS 5 HA LYS 5 -22.457 23.203 18.468 29 HB2 LYS 5 HB2 LYS 5 -20.964 23.186 20.547 30 HB3 LYS 5 HB3 LYS 5 -19.735 23.991 19.584 31 HG2 LYS 5 HG2 LYS 5 -22.560 25.081 19.896 32 HG3 LYS 5 HG3 LYS 5 -21.354 25.354 21.128 33 HD2 LYS 5 HD2 LYS 5 -21.029 26.300 18.257 34 HD3 LYS 5 HD3 LYS 5 -21.763 27.260 19.511 35 HE2 LYS 5 HE2 LYS 5 -18.944 26.132 19.732 36 HE3 LYS 5 HE3 LYS 5 -19.314 27.665 18.946 37 HZ1 LYS 5 HZ1 LYS 5 -20.203 28.514 20.955 38 HZ2 LYS 5 HZ2 LYS 5 -18.669 28.037 21.176 39 HZ3 LYS 5 HZ3 LYS 5 -19.900 27.104 21.780 40 H PHE 6 H PHE 6 -22.515 24.857 16.989 41 HA PHE 6 HA PHE 6 -20.573 24.952 14.732 42 HB2 PHE 6 HB2 PHE 6 -23.597 24.662 14.532 43 HB3 PHE 6 HB3 PHE 6 -22.410 24.488 13.238 44 HD1 PHE 6 HD2 PHE 6 -20.855 22.562 13.226 45 HD2 PHE 6 HD1 PHE 6 -24.027 22.807 16.075 46 HE1 PHE 6 HE2 PHE 6 -20.524 20.144 13.830 47 HE2 PHE 6 HE1 PHE 6 -23.752 20.408 16.616 48 HZ PHE 6 HZ PHE 6 -21.968 19.088 15.520 49 H GLU 7 H GLU 7 -20.398 27.021 13.838 50 HA GLU 7 HA GLU 7 -22.235 29.189 14.806 51 HB2 GLU 7 HB2 GLU 7 -19.251 29.264 14.395 52 HB3 GLU 7 HB3 GLU 7 -20.245 30.663 14.804 53 HG2 GLU 7 HG2 GLU 7 -20.795 29.705 16.977 54 HG3 GLU 7 HG3 GLU 7 -20.011 28.177 16.568 55 H MET 8 H MET 8 -23.065 30.396 13.279 56 HA MET 8 HA MET 8 -22.492 29.723 10.417 57 HB2 MET 8 HB2 MET 8 -24.596 28.817 11.126 58 HB3 MET 8 HB3 MET 8 -25.139 30.389 11.719 59 HG2 MET 8 HG2 MET 8 -24.298 30.134 8.840 60 HG3 MET 8 HG3 MET 8 -25.837 29.461 9.308 61 HE1 MET 8 HE1 MET 8 -27.974 32.590 10.351 62 HE2 MET 8 HE2 MET 8 -27.215 31.380 11.401 63 HE3 MET 8 HE3 MET 8 -28.038 30.878 9.899 64 H GLU 9 H GLU 9 -22.334 31.152 8.957 65 HA GLU 9 HA GLU 9 -22.707 34.052 9.362 66 HB2 GLU 9 HB2 GLU 9 -20.122 32.704 8.438 67 HB3 GLU 9 HB3 GLU 9 -20.384 34.436 8.532 68 HG2 GLU 9 HG2 GLU 9 -19.800 34.519 10.729 69 HG3 GLU 9 HG3 GLU 9 -20.707 33.116 11.174 70 H SER 10 H SER 10 -24.639 33.603 7.606 71 HA SER 10 HA SER 10 -23.995 32.704 5.065 72 HB2 SER 10 HB2 SER 10 -23.262 30.545 6.460 73 HB3 SER 10 HB3 SER 10 -25.011 30.248 6.537 74 HG SER 10 HG SER 10 -23.399 30.631 4.256 75 H GLU 11 H GLU 11 -25.589 34.333 4.591 76 HA GLU 11 HA GLU 11 -28.241 33.047 4.792 77 HB2 GLU 11 HB2 GLU 11 -27.925 35.948 5.123 78 HB3 GLU 11 HB3 GLU 11 -29.357 34.936 5.679 79 HG2 GLU 11 HG2 GLU 11 -28.418 35.548 7.727 80 HG3 GLU 11 HG3 GLU 11 -27.523 34.004 7.548 81 H LYS 12 H LYS 12 -29.238 32.676 2.730 82 HA LYS 12 HA LYS 12 -28.972 34.691 0.657 83 HB2 LYS 12 HB2 LYS 12 -27.035 33.359 0.009 84 HB3 LYS 12 HB3 LYS 12 -27.869 31.838 0.599 85 HG2 LYS 12 HG2 LYS 12 -27.502 31.923 -1.744 86 HG3 LYS 12 HG3 LYS 12 -29.228 32.326 -1.720 87 HD2 LYS 12 HD2 LYS 12 -28.746 34.703 -1.724 88 HD3 LYS 12 HD3 LYS 12 -26.906 34.312 -1.851 89 HE2 LYS 12 HE2 LYS 12 -27.215 33.187 -4.058 90 HE3 LYS 12 HE3 LYS 12 -28.946 33.629 -3.987 91 HZ1 LYS 12 HZ1 LYS 12 -26.953 35.746 -3.739 92 HZ2 LYS 12 HZ2 LYS 12 -28.606 35.759 -4.114 93 HZ3 LYS 12 HZ3 LYS 12 -27.481 35.042 -5.226 94 H ASN 13 H ASN 13 -30.938 34.909 -0.155 95 HA ASN 13 HA ASN 13 -33.160 34.712 -0.411 96 HB2 ASN 13 HB2 ASN 13 -32.197 32.851 -1.902 97 HB3 ASN 13 HB3 ASN 13 -32.751 31.727 -0.651 98 HD21 ASN 13 HD21 ASN 13 -34.585 30.821 -1.479 99 HD22 ASN 13 HD22 ASN 13 -35.905 31.772 -2.198 100 H TYR 14 H TYR 14 -32.112 34.356 2.396 101 HA TYR 14 HA TYR 14 -33.653 32.645 3.906 102 HB2 TYR 14 HB2 TYR 14 -32.872 33.897 5.936 103 HB3 TYR 14 HB3 TYR 14 -31.488 33.730 4.757 104 HD1 TYR 14 HD2 TYR 14 -30.591 35.755 3.547 105 HD2 TYR 14 HD1 TYR 14 -33.705 35.995 6.502 106 HE1 TYR 14 HE2 TYR 14 -30.388 38.311 3.640 107 HE2 TYR 14 HE1 TYR 14 -33.610 38.466 6.335 108 HH TYR 14 HH TYR 14 -32.613 40.191 5.080 109 H ASP 15 H ASP 15 -34.276 35.986 2.871 110 HA ASP 15 HA ASP 15 -36.181 36.398 4.917 111 HB2 ASP 15 HB2 ASP 15 -34.926 37.930 2.892 112 HB3 ASP 15 HB3 ASP 15 -36.643 38.099 2.578 113 H GLU 16 H GLU 16 -36.754 35.431 1.549 114 HA GLU 16 HA GLU 16 -39.610 35.131 1.967 115 HB2 GLU 16 HB2 GLU 16 -37.869 34.143 -0.361 116 HB3 GLU 16 HB3 GLU 16 -39.639 34.098 -0.425 117 HG2 GLU 16 HG2 GLU 16 -38.019 36.692 -0.047 118 HG3 GLU 16 HG3 GLU 16 -38.761 36.135 -1.653 119 H PHE 17 H PHE 17 -36.846 32.946 1.902 120 HA PHE 17 HA PHE 17 -38.390 30.619 2.290 121 HB2 PHE 17 HB2 PHE 17 -36.149 30.482 1.614 122 HB3 PHE 17 HB3 PHE 17 -35.590 31.418 3.004 123 HD1 PHE 17 HD1 PHE 17 -37.032 28.200 1.954 124 HD2 PHE 17 HD2 PHE 17 -35.280 30.476 5.161 125 HE1 PHE 17 HE1 PHE 17 -36.578 26.121 3.185 126 HE2 PHE 17 HE2 PHE 17 -34.819 28.372 6.402 127 HZ PHE 17 HZ PHE 17 -35.334 26.207 5.367 128 H MET 18 H MET 18 -36.999 32.784 4.819 129 HA MET 18 HA MET 18 -38.067 31.174 6.965 130 HB2 MET 18 HB2 MET 18 -37.060 34.036 6.930 131 HB3 MET 18 HB3 MET 18 -37.534 33.120 8.379 132 HG2 MET 18 HG2 MET 18 -35.351 32.212 6.504 133 HG3 MET 18 HG3 MET 18 -35.077 33.154 7.972 134 HE1 MET 18 HE1 MET 18 -33.925 29.332 8.346 135 HE2 MET 18 HE2 MET 18 -33.330 31.007 8.464 136 HE3 MET 18 HE3 MET 18 -33.986 30.382 6.925 137 H LYS 19 H LYS 19 -39.429 34.190 5.337 138 HA LYS 19 HA LYS 19 -41.662 34.532 6.853 139 HB2 LYS 19 HB2 LYS 19 -40.821 34.806 3.998 140 HB3 LYS 19 HB3 LYS 19 -42.539 35.084 4.278 141 HG2 LYS 19 HG2 LYS 19 -40.304 36.695 5.761 142 HG3 LYS 19 HG3 LYS 19 -40.932 37.110 4.226 143 HD2 LYS 19 HD2 LYS 19 -43.207 36.605 5.913 144 HD3 LYS 19 HD3 LYS 19 -42.089 37.553 6.998 145 HE2 LYS 19 HE2 LYS 19 -43.268 38.123 4.239 146 HE3 LYS 19 HE3 LYS 19 -43.693 39.074 5.696 147 HZ1 LYS 19 HZ1 LYS 19 -41.666 40.196 5.707 148 HZ2 LYS 19 HZ2 LYS 19 -41.715 39.916 4.019 149 HZ3 LYS 19 HZ3 LYS 19 -40.823 38.923 5.099 150 H LEU 20 H LEU 20 -41.377 32.650 3.774 151 HA LEU 20 HA LEU 20 -43.888 31.514 3.957 152 HB2 LEU 20 HB2 LEU 20 -41.298 30.631 2.478 153 HB3 LEU 20 HB3 LEU 20 -42.888 29.844 2.263 154 HG LEU 20 HG LEU 20 -42.480 32.811 1.833 155 HD11 LEU 20 HD11 LEU 20 -42.424 32.167 -0.658 156 HD12 LEU 20 HD12 LEU 20 -42.048 30.439 -0.211 157 HD13 LEU 20 HD13 LEU 20 -40.995 31.937 0.322 158 HD21 LEU 20 HD21 LEU 20 -44.479 30.821 0.660 159 HD22 LEU 20 HD22 LEU 20 -44.280 32.615 0.293 160 HD23 LEU 20 HD23 LEU 20 -44.808 32.014 2.015 161 H LEU 21 H LEU 21 -40.953 30.427 5.583 162 HA LEU 21 HA LEU 21 -42.019 27.965 6.580 163 HB2 LEU 21 HB2 LEU 21 -39.752 29.789 7.186 164 HB3 LEU 21 HB3 LEU 21 -40.333 28.974 8.576 165 HG LEU 21 HG LEU 21 -38.573 27.692 7.811 166 HD11 LEU 21 HD11 LEU 21 -40.669 26.400 8.393 167 HD12 LEU 21 HD12 LEU 21 -39.412 25.558 7.483 168 HD13 LEU 21 HD13 LEU 21 -40.858 26.140 6.635 169 HD21 LEU 21 HD21 LEU 21 -39.752 27.801 5.051 170 HD22 LEU 21 HD22 LEU 21 -38.210 27.050 5.581 171 HD23 LEU 21 HD23 LEU 21 -38.375 28.737 5.681 172 H GLY 22 H GLY 22 -42.553 31.393 7.810 173 HA2 GLY 22 HA2 GLY 22 -44.890 31.556 8.431 174 HA3 GLY 22 HA3 GLY 22 -44.625 30.275 9.606 175 H ILE 23 H ILE 23 -41.819 31.940 9.423 176 HA ILE 23 HA ILE 23 -42.258 33.422 11.881 177 HB ILE 23 HB ILE 23 -39.989 33.760 9.874 178 HG12 ILE 23 HG12 ILE 23 -39.767 32.024 12.337 179 HG13 ILE 23 HG13 ILE 23 -40.251 31.364 10.770 180 HG21 ILE 23 HG21 ILE 23 -38.717 34.584 11.868 181 HG22 ILE 23 HG22 ILE 23 -40.183 34.425 12.849 182 HG23 ILE 23 HG23 ILE 23 -40.091 35.595 11.505 183 HD11 ILE 23 HD11 ILE 23 -38.227 31.522 9.842 184 HD12 ILE 23 HD12 ILE 23 -37.710 31.418 11.541 185 HD13 ILE 23 HD13 ILE 23 -37.750 32.982 10.728 186 H SER 24 H SER 24 -42.682 35.850 12.031 187 HA SER 24 HA SER 24 -43.451 37.004 9.381 188 HB2 SER 24 HB2 SER 24 -43.832 37.935 12.319 189 HB3 SER 24 HB3 SER 24 -44.404 38.825 10.745 190 HG SER 24 HG SER 24 -45.728 37.319 12.013 191 H SER 25 H SER 25 -41.525 37.983 12.229 192 HA SER 25 HA SER 25 -39.328 38.781 10.463 193 HB2 SER 25 HB2 SER 25 -40.560 40.853 12.314 194 HB3 SER 25 HB3 SER 25 -39.022 41.011 11.440 195 HG SER 25 HG SER 25 -40.710 40.200 9.651 196 H ASP 26 H ASP 26 -40.470 38.261 13.777 197 HA ASP 26 HA ASP 26 -38.327 38.773 15.102 198 HB2 ASP 26 HB2 ASP 26 -40.269 38.031 16.269 199 HB3 ASP 26 HB3 ASP 26 -40.034 36.372 15.713 200 H VAL 27 H VAL 27 -38.420 35.248 14.134 201 HA VAL 27 HA VAL 27 -35.633 35.025 14.756 202 HB VAL 27 HB VAL 27 -37.307 33.191 13.044 203 HG11 VAL 27 HG11 VAL 27 -35.642 31.458 13.696 204 HG12 VAL 27 HG12 VAL 27 -34.643 32.726 14.450 205 HG13 VAL 27 HG13 VAL 27 -34.931 32.727 12.703 206 HG21 VAL 27 HG21 VAL 27 -36.695 33.127 16.021 207 HG22 VAL 27 HG22 VAL 27 -37.523 31.844 15.113 208 HG23 VAL 27 HG23 VAL 27 -38.278 33.428 15.287 209 H ILE 28 H ILE 28 -37.201 36.105 11.791 210 HA ILE 28 HA ILE 28 -35.033 35.627 10.099 211 HB ILE 28 HB ILE 28 -36.948 37.972 9.783 212 HG12 ILE 28 HG12 ILE 28 -37.481 35.091 9.067 213 HG13 ILE 28 HG13 ILE 28 -38.393 36.404 10.096 214 HG21 ILE 28 HG21 ILE 28 -34.948 38.105 8.313 215 HG22 ILE 28 HG22 ILE 28 -36.418 37.924 7.356 216 HG23 ILE 28 HG23 ILE 28 -35.499 36.435 7.735 217 HD11 ILE 28 HD11 ILE 28 -38.637 37.747 8.054 218 HD12 ILE 28 HD12 ILE 28 -39.559 36.225 7.830 219 HD13 ILE 28 HD13 ILE 28 -37.940 36.350 7.090 220 H GLU 29 H GLU 29 -35.862 38.372 12.007 221 HA GLU 29 HA GLU 29 -33.800 40.226 11.436 222 HB2 GLU 29 HB2 GLU 29 -35.558 39.689 13.856 223 HB3 GLU 29 HB3 GLU 29 -34.373 40.983 13.932 224 HG2 GLU 29 HG2 GLU 29 -35.433 42.163 12.117 225 HG3 GLU 29 HG3 GLU 29 -36.675 40.892 11.894 226 H LYS 30 H LYS 30 -33.823 37.669 13.914 227 HA LYS 30 HA LYS 30 -31.226 38.143 15.205 228 HB2 LYS 30 HB2 LYS 30 -32.404 35.496 14.690 229 HB3 LYS 30 HB3 LYS 30 -31.329 36.065 16.078 230 HG2 LYS 30 HG2 LYS 30 -34.275 36.746 15.501 231 HG3 LYS 30 HG3 LYS 30 -33.606 35.735 16.808 232 HD2 LYS 30 HD2 LYS 30 -32.563 38.042 17.684 233 HD3 LYS 30 HD3 LYS 30 -33.358 38.814 16.287 234 HE2 LYS 30 HE2 LYS 30 -34.958 37.032 18.289 235 HE3 LYS 30 HE3 LYS 30 -34.523 38.747 18.725 236 HZ1 LYS 30 HZ1 LYS 30 -35.591 39.594 16.951 237 HZ2 LYS 30 HZ2 LYS 30 -36.694 38.489 17.587 238 HZ3 LYS 30 HZ3 LYS 30 -35.833 38.151 16.219 239 H ALA 31 H ALA 31 -32.262 36.004 12.445 240 HA ALA 31 HA ALA 31 -29.807 35.063 11.682 241 HB1 ALA 31 HB1 ALA 31 -30.854 34.259 9.734 242 HB2 ALA 31 HB2 ALA 31 -31.975 35.629 9.626 243 HB3 ALA 31 HB3 ALA 31 -32.182 34.425 10.897 244 H ARG 32 H ARG 32 -31.393 37.915 10.227 245 HA ARG 32 HA ARG 32 -29.249 38.268 8.344 246 HB2 ARG 32 HB2 ARG 32 -30.490 40.132 7.475 247 HB3 ARG 32 HB3 ARG 32 -31.605 38.876 7.911 248 HG2 ARG 32 HG2 ARG 32 -32.134 39.873 10.098 249 HG3 ARG 32 HG3 ARG 32 -31.152 41.298 9.767 250 HD2 ARG 32 HD2 ARG 32 -33.357 40.419 7.766 251 HD3 ARG 32 HD3 ARG 32 -33.709 41.544 9.138 252 HE ARG 32 HE ARG 32 -31.299 42.409 7.538 253 HH11 ARG 32 HH11 ARG 32 -34.753 42.432 7.573 254 HH12 ARG 32 HH12 ARG 32 -34.794 43.728 6.388 255 HH21 ARG 32 HH21 ARG 32 -31.489 43.692 5.801 256 HH22 ARG 32 HH22 ARG 32 -32.979 44.317 5.372 257 H ASN 33 H ASN 33 -29.347 39.156 11.499 258 HA ASN 33 HA ASN 33 -27.271 41.157 11.137 259 HB2 ASN 33 HB2 ASN 33 -29.094 40.954 13.572 260 HB3 ASN 33 HB3 ASN 33 -27.653 42.021 13.596 261 HD21 ASN 33 HD21 ASN 33 -30.829 42.098 13.200 262 HD22 ASN 33 HD22 ASN 33 -30.894 43.629 12.233 263 H PHE 34 H PHE 34 -27.969 39.093 13.959 264 HA PHE 34 HA PHE 34 -25.079 38.668 14.098 265 HB2 PHE 34 HB2 PHE 34 -25.571 38.246 16.553 266 HB3 PHE 34 HB3 PHE 34 -25.627 39.854 15.880 267 HD1 PHE 34 HD1 PHE 34 -27.851 36.995 16.838 268 HD2 PHE 34 HD2 PHE 34 -27.527 41.235 16.128 269 HE1 PHE 34 HE1 PHE 34 -30.090 37.338 17.845 270 HE2 PHE 34 HE2 PHE 34 -29.786 41.573 17.098 271 HZ PHE 34 HZ PHE 34 -31.060 39.636 17.978 272 H LYS 35 H LYS 35 -27.643 36.679 13.376 273 HA LYS 35 HA LYS 35 -27.632 34.608 12.528 274 HB2 LYS 35 HB2 LYS 35 -24.604 34.686 12.701 275 HB3 LYS 35 HB3 LYS 35 -25.642 33.436 11.946 276 HG2 LYS 35 HG2 LYS 35 -25.171 34.527 10.126 277 HG3 LYS 35 HG3 LYS 35 -26.466 35.666 10.525 278 HD2 LYS 35 HD2 LYS 35 -24.873 37.182 11.768 279 HD3 LYS 35 HD3 LYS 35 -23.492 36.258 11.169 280 HE2 LYS 35 HE2 LYS 35 -23.769 38.187 9.832 281 HE3 LYS 35 HE3 LYS 35 -23.999 36.765 8.809 282 HZ1 LYS 35 HZ1 LYS 35 -26.233 37.328 8.497 283 HZ2 LYS 35 HZ2 LYS 35 -25.785 38.847 8.822 284 HZ3 LYS 35 HZ3 LYS 35 -26.498 37.804 10.001 285 H ILE 36 H ILE 36 -28.351 32.869 13.615 286 HA ILE 36 HA ILE 36 -27.713 32.047 16.179 287 HB ILE 36 HB ILE 36 -28.891 30.497 13.944 288 HG12 ILE 36 HG12 ILE 36 -29.980 31.480 16.673 289 HG13 ILE 36 HG13 ILE 36 -29.966 32.494 15.142 290 HG21 ILE 36 HG21 ILE 36 -28.642 29.337 16.871 291 HG22 ILE 36 HG22 ILE 36 -27.607 28.786 15.471 292 HG23 ILE 36 HG23 ILE 36 -29.423 28.691 15.446 293 HD11 ILE 36 HD11 ILE 36 -32.115 31.548 15.101 294 HD12 ILE 36 HD12 ILE 36 -31.585 30.149 16.118 295 HD13 ILE 36 HD13 ILE 36 -31.246 30.143 14.333 296 H VAL 37 H VAL 37 -26.480 30.709 17.281 297 HA VAL 37 HA VAL 37 -24.395 29.119 15.880 298 HB VAL 37 HB VAL 37 -22.871 29.296 17.676 299 HG11 VAL 37 HG11 VAL 37 -22.857 31.126 15.942 300 HG12 VAL 37 HG12 VAL 37 -22.185 31.635 17.501 301 HG13 VAL 37 HG13 VAL 37 -23.820 32.132 17.025 302 HG21 VAL 37 HG21 VAL 37 -24.322 29.502 19.633 303 HG22 VAL 37 HG22 VAL 37 -24.820 31.131 19.113 304 HG23 VAL 37 HG23 VAL 37 -23.145 30.817 19.593 305 H THR 38 H THR 38 -24.412 26.863 16.347 306 HA THR 38 HA THR 38 -26.919 26.137 17.921 307 HB THR 38 HB THR 38 -25.812 25.364 15.240 308 HG1 THR 38 HG1 THR 38 -27.785 25.887 14.654 309 HG21 THR 38 HG21 THR 38 -26.064 23.208 16.274 310 HG22 THR 38 HG22 THR 38 -27.449 23.454 15.236 311 HG23 THR 38 HG23 THR 38 -27.603 23.654 16.993 312 H GLU 39 H GLU 39 -26.837 24.323 19.148 313 HA GLU 39 HA GLU 39 -24.370 22.786 19.316 314 HB2 GLU 39 HB2 GLU 39 -26.386 23.395 21.541 315 HB3 GLU 39 HB3 GLU 39 -25.197 22.067 21.679 316 HG2 GLU 39 HG2 GLU 39 -23.324 23.506 21.591 317 HG3 GLU 39 HG3 GLU 39 -24.397 24.979 21.422 318 H VAL 40 H VAL 40 -24.751 20.475 19.309 319 HA VAL 40 HA VAL 40 -27.569 19.578 18.791 320 HB VAL 40 HB VAL 40 -25.157 18.812 17.157 321 HG11 VAL 40 HG11 VAL 40 -26.733 16.914 17.279 322 HG12 VAL 40 HG12 VAL 40 -26.740 17.635 15.676 323 HG13 VAL 40 HG13 VAL 40 -28.065 17.988 16.768 324 HG21 VAL 40 HG21 VAL 40 -26.197 19.901 15.271 325 HG22 VAL 40 HG22 VAL 40 -25.952 21.060 16.563 326 HG23 VAL 40 HG23 VAL 40 -27.583 20.417 16.272 327 H GLN 41 H GLN 41 -27.992 17.475 19.472 328 HA GLN 41 HA GLN 41 -25.711 15.785 20.307 329 HB2 GLN 41 HB2 GLN 41 -26.894 17.200 22.289 330 HB3 GLN 41 HB3 GLN 41 -28.050 15.880 22.217 331 HG2 GLN 41 HG2 GLN 41 -25.049 15.749 22.758 332 HG3 GLN 41 HG3 GLN 41 -26.351 15.433 23.897 333 HE21 GLN 41 HE21 GLN 41 -27.762 13.449 23.379 334 HE22 GLN 41 HE22 GLN 41 -27.055 12.165 22.502 335 H GLN 42 H GLN 42 -26.071 14.006 18.878 336 HA GLN 42 HA GLN 42 -28.871 13.180 18.438 337 HB2 GLN 42 HB2 GLN 42 -27.971 14.251 16.410 338 HB3 GLN 42 HB3 GLN 42 -26.524 13.192 16.691 339 HG2 GLN 42 HG2 GLN 42 -28.191 11.134 16.314 340 HG3 GLN 42 HG3 GLN 42 -29.405 12.420 16.152 341 HE21 GLN 42 HE21 GLN 42 -29.930 11.680 13.819 342 HE22 GLN 42 HE22 GLN 42 -28.684 11.766 12.679 343 H ASP 43 H ASP 43 -29.206 11.030 18.959 344 HA ASP 43 HA ASP 43 -26.895 9.202 19.418 345 HB2 ASP 43 HB2 ASP 43 -29.265 9.721 21.211 346 HB3 ASP 43 HB3 ASP 43 -28.400 8.186 21.233 347 H GLY 44 H GLY 44 -27.011 7.828 17.496 348 HA2 GLY 44 HA2 GLY 44 -27.957 6.726 15.947 349 HA3 GLY 44 HA3 GLY 44 -29.002 6.025 17.264 350 H GLN 45 H GLN 45 -31.018 6.234 17.137 351 HA GLN 45 HA GLN 45 -32.367 7.624 15.020 352 HB2 GLN 45 HB2 GLN 45 -33.227 5.987 17.362 353 HB3 GLN 45 HB3 GLN 45 -34.381 6.623 16.126 354 HG2 GLN 45 HG2 GLN 45 -33.241 5.506 14.296 355 HG3 GLN 45 HG3 GLN 45 -32.264 4.528 15.347 356 HE21 GLN 45 HE21 GLN 45 -33.434 2.685 14.225 357 HE22 GLN 45 HE22 GLN 45 -35.044 2.286 14.669 358 H ASP 46 H ASP 46 -31.698 8.238 18.403 359 HA ASP 46 HA ASP 46 -33.705 10.358 18.537 360 HB2 ASP 46 HB2 ASP 46 -31.901 9.120 20.591 361 HB3 ASP 46 HB3 ASP 46 -32.590 10.716 20.869 362 H PHE 47 H PHE 47 -33.507 12.493 18.981 363 HA PHE 47 HA PHE 47 -30.906 13.703 18.305 364 HB2 PHE 47 HB2 PHE 47 -31.794 13.044 16.198 365 HB3 PHE 47 HB3 PHE 47 -33.361 13.728 16.569 366 HD1 PHE 47 HD2 PHE 47 -33.607 16.253 16.856 367 HD2 PHE 47 HD1 PHE 47 -30.168 14.342 15.101 368 HE1 PHE 47 HE2 PHE 47 -33.020 18.364 15.697 369 HE2 PHE 47 HE1 PHE 47 -29.575 16.457 13.950 370 HZ PHE 47 HZ PHE 47 -31.032 18.436 14.216 371 H THR 48 H THR 48 -30.484 15.866 18.796 372 HA THR 48 HA THR 48 -32.550 17.628 19.681 373 HB THR 48 HB THR 48 -29.981 16.936 21.185 374 HG1 THR 48 HG1 THR 48 -31.613 15.589 21.753 375 HG21 THR 48 HG21 THR 48 -30.921 18.856 22.714 376 HG22 THR 48 HG22 THR 48 -32.181 19.129 21.440 377 HG23 THR 48 HG23 THR 48 -30.352 19.491 21.130 378 H TRP 49 H TRP 49 -32.526 19.340 18.369 379 HA TRP 49 HA TRP 49 -29.794 20.436 17.791 380 HB2 TRP 49 HB2 TRP 49 -30.501 19.809 15.738 381 HB3 TRP 49 HB3 TRP 49 -32.154 20.396 15.971 382 HD1 TRP 49 HD1 TRP 49 -29.867 23.196 16.815 383 HE1 TRP 49 HE1 TRP 49 -29.706 24.813 14.856 384 HE3 TRP 49 HE3 TRP 49 -31.652 20.177 13.087 385 HZ2 TRP 49 HZ2 TRP 49 -30.558 24.901 12.083 386 HZ3 TRP 49 HZ3 TRP 49 -31.874 21.034 10.773 387 HH2 TRP 49 HH2 TRP 49 -31.378 23.413 10.272 388 H SER 50 H SER 50 -29.383 22.000 19.124 389 HA SER 50 HA SER 50 -31.583 23.671 20.378 390 HB2 SER 50 HB2 SER 50 -30.564 22.188 21.985 391 HB3 SER 50 HB3 SER 50 -28.917 22.645 21.420 392 HG SER 50 HG SER 50 -29.383 23.755 23.208 393 H GLN 51 H GLN 51 -31.617 25.728 19.902 394 HA GLN 51 HA GLN 51 -29.460 26.761 18.258 395 HB2 GLN 51 HB2 GLN 51 -32.463 27.581 18.317 396 HB3 GLN 51 HB3 GLN 51 -31.181 28.334 17.377 397 HG2 GLN 51 HG2 GLN 51 -31.738 26.926 15.730 398 HG3 GLN 51 HG3 GLN 51 -30.674 25.773 16.698 399 HE21 GLN 51 HE21 GLN 51 -32.138 24.196 15.470 400 HE22 GLN 51 HE22 GLN 51 -33.736 23.896 16.296 401 H HIS 52 H HIS 52 -28.330 28.423 19.195 402 HA HIS 52 HA HIS 52 -29.716 30.148 21.100 403 HB2 HIS 52 HB2 HIS 52 -26.664 29.919 20.903 404 HB3 HIS 52 HB3 HIS 52 -27.730 30.413 22.299 405 HD1 HIS 52 HD1 HIS 52 -29.324 28.349 23.245 406 HD2 HIS 52 HD2 HIS 52 -25.729 27.680 21.314 407 HE1 HIS 52 HE1 HIS 52 -28.778 25.858 23.591 408 H TYR 53 H TYR 53 -30.358 32.029 19.954 409 HA TYR 53 HA TYR 53 -28.682 33.013 17.799 410 HB2 TYR 53 HB2 TYR 53 -30.212 35.045 17.882 411 HB3 TYR 53 HB3 TYR 53 -30.689 33.552 17.168 412 HD1 TYR 53 HD1 TYR 53 -32.406 32.132 18.069 413 HD2 TYR 53 HD2 TYR 53 -31.359 35.888 19.908 414 HE1 TYR 53 HE1 TYR 53 -34.607 32.177 19.230 415 HE2 TYR 53 HE2 TYR 53 -33.597 35.955 21.031 416 HH TYR 53 HH TYR 53 -36.164 34.069 20.238 417 H SER 54 H SER 54 -26.809 33.786 17.943 418 HA SER 54 HA SER 54 -24.886 34.454 18.768 419 HB2 SER 54 HB2 SER 54 -24.686 36.815 19.358 420 HB3 SER 54 HB3 SER 54 -25.651 36.512 17.912 421 HG SER 54 HG SER 54 -26.593 38.064 19.333 422 H GLY 55 H GLY 55 -26.219 32.731 20.709 423 HA2 GLY 55 HA2 GLY 55 -25.957 32.241 23.088 424 HA3 GLY 55 HA3 GLY 55 -24.842 33.561 23.144 425 H GLY 56 H GLY 56 -27.645 34.890 22.050 426 HA2 GLY 56 HA2 GLY 56 -28.161 36.046 24.638 427 HA3 GLY 56 HA3 GLY 56 -28.933 36.442 23.108 428 H HIS 57 H HIS 57 -29.928 33.551 22.785 429 HA HIS 57 HA HIS 57 -31.524 32.901 25.144 430 HB2 HIS 57 HB2 HIS 57 -32.982 34.758 24.096 431 HB3 HIS 57 HB3 HIS 57 -32.729 33.994 22.487 432 HD1 HIS 57 HD1 HIS 57 -35.164 33.005 22.277 433 HD2 HIS 57 HD2 HIS 57 -33.807 33.010 26.166 434 HE1 HIS 57 HE1 HIS 57 -36.972 31.932 23.575 435 H THR 58 H THR 58 -32.820 30.880 24.693 436 HA THR 58 HA THR 58 -31.640 29.420 22.469 437 HB THR 58 HB THR 58 -31.924 28.702 25.428 438 HG1 THR 58 HG1 THR 58 -29.931 29.197 25.592 439 HG21 THR 58 HG21 THR 58 -30.463 26.581 24.353 440 HG22 THR 58 HG22 THR 58 -31.313 27.129 22.864 441 HG23 THR 58 HG23 THR 58 -32.195 26.445 24.237 442 H MET 59 H MET 59 -32.864 28.143 21.398 443 HA MET 59 HA MET 59 -35.330 27.156 22.628 444 HB2 MET 59 HB2 MET 59 -36.653 27.291 20.588 445 HB3 MET 59 HB3 MET 59 -36.209 28.885 21.190 446 HG2 MET 59 HG2 MET 59 -34.142 28.355 19.424 447 HG3 MET 59 HG3 MET 59 -35.508 27.554 18.640 448 HE1 MET 59 HE1 MET 59 -34.873 29.177 16.694 449 HE2 MET 59 HE2 MET 59 -33.702 30.165 17.586 450 HE3 MET 59 HE3 MET 59 -35.048 30.947 16.718 451 H THR 60 H THR 60 -35.985 25.093 21.196 452 HA THR 60 HA THR 60 -33.506 23.610 20.710 453 HB THR 60 HB THR 60 -34.179 21.842 22.287 454 HG1 THR 60 HG1 THR 60 -35.798 23.890 23.369 455 HG21 THR 60 HG21 THR 60 -32.414 23.594 22.930 456 HG22 THR 60 HG22 THR 60 -33.257 22.746 24.315 457 HG23 THR 60 HG23 THR 60 -33.699 24.416 23.932 458 H ASN 61 H ASN 61 -34.010 21.898 19.479 459 HA ASN 61 HA ASN 61 -36.826 21.034 19.085 460 HB2 ASN 61 HB2 ASN 61 -34.551 21.075 16.972 461 HB3 ASN 61 HB3 ASN 61 -36.177 20.378 16.648 462 HD21 ASN 61 HD21 ASN 61 -37.288 22.905 18.104 463 HD22 ASN 61 HD22 ASN 61 -37.234 24.000 16.698 464 H LYS 62 H LYS 62 -37.083 19.141 20.037 465 HA LYS 62 HA LYS 62 -34.964 17.156 19.605 466 HB2 LYS 62 HB2 LYS 62 -36.895 17.451 21.994 467 HB3 LYS 62 HB3 LYS 62 -35.664 16.132 21.712 468 HG2 LYS 62 HG2 LYS 62 -33.889 17.813 22.054 469 HG3 LYS 62 HG3 LYS 62 -35.093 19.108 21.889 470 HD2 LYS 62 HD2 LYS 62 -35.918 18.439 24.198 471 HD3 LYS 62 HD3 LYS 62 -34.955 16.888 24.116 472 HE2 LYS 62 HE2 LYS 62 -32.731 18.237 24.207 473 HE3 LYS 62 HE3 LYS 62 -33.754 19.737 23.989 474 HZ1 LYS 62 HZ1 LYS 62 -33.916 17.930 26.284 475 HZ2 LYS 62 HZ2 LYS 62 -34.643 19.374 26.154 476 HZ3 LYS 62 HZ3 LYS 62 -32.934 19.356 26.156 477 H PHE 63 H PHE 63 -35.589 15.135 18.690 478 HA PHE 63 HA PHE 63 -38.198 14.210 18.606 479 HB2 PHE 63 HB2 PHE 63 -38.704 14.191 16.239 480 HB3 PHE 63 HB3 PHE 63 -38.421 15.858 16.783 481 HD1 PHE 63 HD1 PHE 63 -36.212 16.956 16.155 482 HD2 PHE 63 HD2 PHE 63 -37.397 13.171 14.678 483 HE1 PHE 63 HE1 PHE 63 -34.452 17.003 14.217 484 HE2 PHE 63 HE2 PHE 63 -35.806 13.205 12.898 485 HZ PHE 63 HZ PHE 63 -34.281 15.294 12.721 486 H THR 64 H THR 64 -38.363 12.057 17.399 487 HA THR 64 HA THR 64 -35.728 10.678 17.203 488 HB THR 64 HB THR 64 -38.400 9.322 17.397 489 HG1 THR 64 HG1 THR 64 -36.560 9.464 19.506 490 HG21 THR 64 HG21 THR 64 -35.565 8.283 17.677 491 HG22 THR 64 HG22 THR 64 -36.754 7.858 16.430 492 HG23 THR 64 HG23 THR 64 -37.018 7.367 18.108 493 H VAL 65 H VAL 65 -35.026 10.130 15.117 494 HA VAL 65 HA VAL 65 -36.563 10.921 12.917 495 HB VAL 65 HB VAL 65 -34.078 10.834 13.250 496 HG11 VAL 65 HG11 VAL 65 -34.365 8.105 11.718 497 HG12 VAL 65 HG12 VAL 65 -34.039 8.129 13.475 498 HG13 VAL 65 HG13 VAL 65 -32.840 8.747 12.401 499 HG21 VAL 65 HG21 VAL 65 -35.577 9.985 10.649 500 HG22 VAL 65 HG22 VAL 65 -33.933 10.690 10.535 501 HG23 VAL 65 HG23 VAL 65 -35.176 11.664 11.225 502 H GLY 66 H GLY 66 -37.619 9.669 11.378 503 HA2 GLY 66 HA2 GLY 66 -38.883 7.886 10.600 504 HA3 GLY 66 HA3 GLY 66 -38.241 6.832 11.865 505 H LYS 67 H LYS 67 -39.379 9.751 13.265 506 HA LYS 67 HA LYS 67 -42.009 8.493 13.911 507 HB2 LYS 67 HB2 LYS 67 -40.166 8.501 15.664 508 HB3 LYS 67 HB3 LYS 67 -40.329 10.265 15.707 509 HG2 LYS 67 HG2 LYS 67 -42.664 10.062 16.436 510 HG3 LYS 67 HG3 LYS 67 -42.540 8.289 16.367 511 HD2 LYS 67 HD2 LYS 67 -40.774 8.325 18.079 512 HD3 LYS 67 HD3 LYS 67 -40.790 10.091 18.122 513 HE2 LYS 67 HE2 LYS 67 -43.138 8.281 18.826 514 HE3 LYS 67 HE3 LYS 67 -42.040 9.010 20.007 515 HZ1 LYS 67 HZ1 LYS 67 -43.716 10.613 18.130 516 HZ2 LYS 67 HZ2 LYS 67 -42.824 11.197 19.385 517 HZ3 LYS 67 HZ3 LYS 67 -44.129 10.287 19.684 518 H GLU 68 H GLU 68 -43.660 9.724 14.353 519 HA GLU 68 HA GLU 68 -43.792 12.381 12.973 520 HB2 GLU 68 HB2 GLU 68 -45.110 10.547 11.961 521 HB3 GLU 68 HB3 GLU 68 -46.084 10.463 13.401 522 HG2 GLU 68 HG2 GLU 68 -46.461 13.175 12.778 523 HG3 GLU 68 HG3 GLU 68 -45.615 12.625 11.317 524 H SER 69 H SER 69 -44.859 14.006 13.723 525 HA SER 69 HA SER 69 -45.526 15.640 15.181 526 HB2 SER 69 HB2 SER 69 -47.571 14.105 14.881 527 HB3 SER 69 HB3 SER 69 -47.344 13.542 16.562 528 HG SER 69 HG SER 69 -48.693 15.423 16.219 529 H ASN 70 H ASN 70 -43.130 14.885 15.865 530 HA ASN 70 HA ASN 70 -43.086 15.367 18.818 531 HB2 ASN 70 HB2 ASN 70 -42.082 13.155 17.480 532 HB3 ASN 70 HB3 ASN 70 -40.679 14.221 17.456 533 HD21 ASN 70 HD21 ASN 70 -40.187 15.279 19.726 534 HD22 ASN 70 HD22 ASN 70 -40.327 14.111 21.039 535 H ILE 71 H ILE 71 -42.619 16.816 15.831 536 HA ILE 71 HA ILE 71 -39.917 17.873 16.351 537 HB ILE 71 HB ILE 71 -41.384 17.889 13.701 538 HG12 ILE 71 HG12 ILE 71 -39.842 15.650 13.438 539 HG13 ILE 71 HG13 ILE 71 -40.365 15.442 15.093 540 HG21 ILE 71 HG21 ILE 71 -39.285 19.137 13.833 541 HG22 ILE 71 HG22 ILE 71 -39.148 17.728 12.779 542 HG23 ILE 71 HG23 ILE 71 -38.439 17.674 14.402 543 HD11 ILE 71 HD11 ILE 71 -42.766 15.743 14.266 544 HD12 ILE 71 HD12 ILE 71 -41.924 14.348 13.562 545 HD13 ILE 71 HD13 ILE 71 -42.114 15.849 12.628 546 H GLN 72 H GLN 72 -39.466 20.089 16.454 547 HA GLN 72 HA GLN 72 -41.637 21.944 15.901 548 HB2 GLN 72 HB2 GLN 72 -39.351 22.394 17.780 549 HB3 GLN 72 HB3 GLN 72 -40.616 23.507 17.440 550 HG2 GLN 72 HG2 GLN 72 -41.021 22.572 19.484 551 HG3 GLN 72 HG3 GLN 72 -42.340 21.968 18.587 552 HE21 GLN 72 HE21 GLN 72 -42.874 19.962 19.241 553 HE22 GLN 72 HE22 GLN 72 -41.822 18.564 19.104 554 H THR 73 H THR 73 -41.119 24.001 15.061 555 HA THR 73 HA THR 73 -38.889 24.298 13.181 556 HB THR 73 HB THR 73 -39.995 26.464 12.782 557 HG1 THR 73 HG1 THR 73 -41.768 27.053 13.803 558 HG21 THR 73 HG21 THR 73 -41.956 24.125 12.770 559 HG22 THR 73 HG22 THR 73 -40.839 24.579 11.466 560 HG23 THR 73 HG23 THR 73 -42.178 25.651 11.905 561 H MET 74 H MET 74 -37.760 26.543 13.248 562 HA MET 74 HA MET 74 -36.694 27.169 15.920 563 HB2 MET 74 HB2 MET 74 -36.110 28.168 13.143 564 HB3 MET 74 HB3 MET 74 -35.716 29.182 14.514 565 HG2 MET 74 HG2 MET 74 -34.426 27.469 15.571 566 HG3 MET 74 HG3 MET 74 -34.752 26.310 14.306 567 HE1 MET 74 HE1 MET 74 -32.869 25.685 12.953 568 HE2 MET 74 HE2 MET 74 -33.582 26.694 11.666 569 HE3 MET 74 HE3 MET 74 -31.855 26.803 12.006 570 H GLY 75 H GLY 75 -39.518 28.371 13.947 571 HA2 GLY 75 HA2 GLY 75 -39.769 30.635 15.660 572 HA3 GLY 75 HA3 GLY 75 -40.883 29.998 14.546 573 H GLY 76 H GLY 76 -39.893 27.311 16.275 574 HA2 GLY 76 HA2 GLY 76 -40.478 26.253 18.244 575 HA3 GLY 76 HA3 GLY 76 -41.364 27.765 18.717 576 H LYS 77 H LYS 77 -42.398 26.524 15.761 577 HA LYS 77 HA LYS 77 -45.098 25.547 16.687 578 HB2 LYS 77 HB2 LYS 77 -44.976 27.044 15.101 579 HB3 LYS 77 HB3 LYS 77 -44.023 25.926 14.075 580 HG2 LYS 77 HG2 LYS 77 -45.841 24.218 14.006 581 HG3 LYS 77 HG3 LYS 77 -46.855 25.014 15.189 582 HD2 LYS 77 HD2 LYS 77 -45.837 26.161 12.492 583 HD3 LYS 77 HD3 LYS 77 -47.431 25.343 12.756 584 HE2 LYS 77 HE2 LYS 77 -48.383 27.157 14.143 585 HE3 LYS 77 HE3 LYS 77 -46.721 27.901 14.077 586 HZ1 LYS 77 HZ1 LYS 77 -47.013 28.284 11.762 587 HZ2 LYS 77 HZ2 LYS 77 -48.541 28.681 12.412 588 HZ3 LYS 77 HZ3 LYS 77 -48.344 27.245 11.648 589 H THR 78 H THR 78 -45.562 23.566 17.166 590 HA THR 78 HA THR 78 -43.848 21.344 16.211 591 HB THR 78 HB THR 78 -46.457 21.164 17.729 592 HG1 THR 78 HG1 THR 78 -44.753 22.094 18.921 593 HG21 THR 78 HG21 THR 78 -44.329 19.071 17.112 594 HG22 THR 78 HG22 THR 78 -46.015 19.067 16.539 595 HG23 THR 78 HG23 THR 78 -45.663 18.858 18.262 596 H PHE 79 H PHE 79 -44.299 20.105 14.315 597 HA PHE 79 HA PHE 79 -46.916 20.106 13.345 598 HB2 PHE 79 HB2 PHE 79 -46.204 20.653 10.966 599 HB3 PHE 79 HB3 PHE 79 -46.039 21.999 12.060 600 HD1 PHE 79 HD1 PHE 79 -43.130 19.789 12.724 601 HD2 PHE 79 HD2 PHE 79 -44.640 22.624 9.824 602 HE1 PHE 79 HE1 PHE 79 -40.852 20.439 12.063 603 HE2 PHE 79 HE2 PHE 79 -42.447 23.197 9.177 604 HZ PHE 79 HZ PHE 79 -40.401 22.107 10.383 605 H LYS 80 H LYS 80 -47.176 18.473 11.311 606 HA LYS 80 HA LYS 80 -46.145 16.049 12.570 607 HB2 LYS 80 HB2 LYS 80 -48.616 16.754 10.959 608 HB3 LYS 80 HB3 LYS 80 -48.312 15.074 11.587 609 HG2 LYS 80 HG2 LYS 80 -49.386 15.680 13.281 610 HG3 LYS 80 HG3 LYS 80 -47.989 16.672 13.858 611 HD2 LYS 80 HD2 LYS 80 -49.051 18.713 12.835 612 HD3 LYS 80 HD3 LYS 80 -50.402 17.745 12.239 613 HE2 LYS 80 HE2 LYS 80 -49.620 18.188 15.221 614 HE3 LYS 80 HE3 LYS 80 -50.943 18.942 14.353 615 HZ1 LYS 80 HZ1 LYS 80 -50.914 16.048 14.843 616 HZ2 LYS 80 HZ2 LYS 80 -52.112 16.859 13.922 617 HZ3 LYS 80 HZ3 LYS 80 -51.898 17.246 15.543 618 H ALA 81 H ALA 81 -44.351 15.679 11.262 619 HA ALA 81 HA ALA 81 -45.110 14.393 8.796 620 HB1 ALA 81 HB1 ALA 81 -42.778 16.368 8.815 621 HB2 ALA 81 HB2 ALA 81 -44.290 16.537 7.891 622 HB3 ALA 81 HB3 ALA 81 -43.166 15.230 7.504 623 H THR 82 H THR 82 -43.331 12.840 8.204 624 HA THR 82 HA THR 82 -41.932 11.774 10.636 625 HB THR 82 HB THR 82 -42.762 10.468 8.014 626 HG1 THR 82 HG1 THR 82 -44.420 10.388 9.396 627 HG21 THR 82 HG21 THR 82 -41.126 9.352 10.333 628 HG22 THR 82 HG22 THR 82 -40.597 9.491 8.635 629 HG23 THR 82 HG23 THR 82 -41.889 8.371 9.071 630 H VAL 83 H VAL 83 -39.956 12.580 10.767 631 HA VAL 83 HA VAL 83 -38.341 13.428 8.501 632 HB VAL 83 HB VAL 83 -37.249 12.860 11.245 633 HG11 VAL 83 HG11 VAL 83 -36.559 14.990 9.183 634 HG12 VAL 83 HG12 VAL 83 -35.605 13.528 9.516 635 HG13 VAL 83 HG13 VAL 83 -35.767 14.780 10.745 636 HG21 VAL 83 HG21 VAL 83 -38.862 15.309 10.478 637 HG22 VAL 83 HG22 VAL 83 -37.776 15.235 11.872 638 HG23 VAL 83 HG23 VAL 83 -39.172 14.163 11.797 639 H GLN 84 H GLN 84 -36.492 12.374 7.590 640 HA GLN 84 HA GLN 84 -36.053 9.513 8.410 641 HB2 GLN 84 HB2 GLN 84 -35.848 10.577 5.587 642 HB3 GLN 84 HB3 GLN 84 -35.663 8.919 6.104 643 HG2 GLN 84 HG2 GLN 84 -37.997 8.639 6.452 644 HG3 GLN 84 HG3 GLN 84 -38.309 10.372 6.504 645 HE21 GLN 84 HE21 GLN 84 -36.823 8.039 4.161 646 HE22 GLN 84 HE22 GLN 84 -37.346 8.973 2.791 647 H MET 85 H MET 85 -33.887 8.660 7.964 648 HA MET 85 HA MET 85 -31.771 10.703 7.545 649 HB2 MET 85 HB2 MET 85 -31.532 8.084 9.032 650 HB3 MET 85 HB3 MET 85 -30.153 8.907 8.294 651 HG2 MET 85 HG2 MET 85 -30.855 11.010 9.553 652 HG3 MET 85 HG3 MET 85 -31.980 9.989 10.447 653 HE1 MET 85 HE1 MET 85 -27.375 9.887 10.781 654 HE2 MET 85 HE2 MET 85 -28.322 11.032 9.802 655 HE3 MET 85 HE3 MET 85 -28.196 9.323 9.310 656 H GLU 86 H GLU 86 -30.708 10.682 5.671 657 HA GLU 86 HA GLU 86 -31.133 8.521 3.755 658 HB2 GLU 86 HB2 GLU 86 -31.217 11.536 3.466 659 HB3 GLU 86 HB3 GLU 86 -31.029 10.524 2.041 660 HG2 GLU 86 HG2 GLU 86 -33.381 10.129 3.950 661 HG3 GLU 86 HG3 GLU 86 -33.507 11.206 2.530 662 H GLY 87 H GLY 87 -28.825 7.878 4.954 663 HA2 GLY 87 HA2 GLY 87 -26.726 7.481 4.001 664 HA3 GLY 87 HA3 GLY 87 -26.838 9.034 3.164 665 H GLY 88 H GLY 88 -27.901 9.560 6.128 666 HA2 GLY 88 HA2 GLY 88 -26.414 10.144 8.154 667 HA3 GLY 88 HA3 GLY 88 -25.248 10.652 6.924 668 H LYS 89 H LYS 89 -27.721 11.604 5.101 669 HA LYS 89 HA LYS 89 -27.989 14.278 6.365 670 HB2 LYS 89 HB2 LYS 89 -29.581 13.168 3.949 671 HB3 LYS 89 HB3 LYS 89 -29.327 14.845 4.473 672 HG2 LYS 89 HG2 LYS 89 -27.164 14.937 3.613 673 HG3 LYS 89 HG3 LYS 89 -27.025 13.110 3.542 674 HD2 LYS 89 HD2 LYS 89 -28.569 12.830 1.805 675 HD3 LYS 89 HD3 LYS 89 -29.116 14.489 2.029 676 HE2 LYS 89 HE2 LYS 89 -27.705 14.192 -0.086 677 HE3 LYS 89 HE3 LYS 89 -27.062 15.461 1.105 678 HZ1 LYS 89 HZ1 LYS 89 -25.344 13.836 0.326 679 HZ2 LYS 89 HZ2 LYS 89 -26.327 12.589 1.003 680 HZ3 LYS 89 HZ3 LYS 89 -25.532 13.795 1.953 681 H LEU 90 H LEU 90 -30.052 15.358 7.077 682 HA LEU 90 HA LEU 90 -32.058 13.363 7.778 683 HB2 LEU 90 HB2 LEU 90 -30.815 15.929 9.167 684 HB3 LEU 90 HB3 LEU 90 -32.511 15.321 9.509 685 HG LEU 90 HG LEU 90 -30.273 13.394 9.981 686 HD11 LEU 90 HD11 LEU 90 -29.765 15.597 11.231 687 HD12 LEU 90 HD12 LEU 90 -30.130 14.151 12.189 688 HD13 LEU 90 HD13 LEU 90 -31.408 15.419 11.927 689 HD21 LEU 90 HD21 LEU 90 -33.038 13.921 11.086 690 HD22 LEU 90 HD22 LEU 90 -31.971 12.501 11.488 691 HD23 LEU 90 HD23 LEU 90 -32.642 12.638 9.842 692 H VAL 91 H VAL 91 -34.265 13.869 7.220 693 HA VAL 91 HA VAL 91 -34.564 16.214 5.552 694 HB VAL 91 HB VAL 91 -33.823 14.791 3.913 695 HG11 VAL 91 HG11 VAL 91 -34.857 12.203 3.933 696 HG12 VAL 91 HG12 VAL 91 -35.483 12.717 5.532 697 HG13 VAL 91 HG13 VAL 91 -33.667 12.640 5.178 698 HG21 VAL 91 HG21 VAL 91 -35.725 14.000 2.479 699 HG22 VAL 91 HG22 VAL 91 -36.060 15.673 3.127 700 HG23 VAL 91 HG23 VAL 91 -36.853 14.221 3.875 701 H VAL 92 H VAL 92 -36.645 17.151 5.091 702 HA VAL 92 HA VAL 92 -38.889 15.401 6.017 703 HB VAL 92 HB VAL 92 -40.163 17.441 6.797 704 HG11 VAL 92 HG11 VAL 92 -39.094 17.655 8.952 705 HG12 VAL 92 HG12 VAL 92 -37.553 16.982 8.367 706 HG13 VAL 92 HG13 VAL 92 -39.035 15.974 8.321 707 HG21 VAL 92 HG21 VAL 92 -38.735 19.549 7.374 708 HG22 VAL 92 HG22 VAL 92 -38.703 19.304 5.559 709 HG23 VAL 92 HG23 VAL 92 -37.333 18.860 6.534 710 H ASN 93 H ASN 93 -40.776 15.710 4.989 711 HA ASN 93 HA ASN 93 -40.835 17.161 2.406 712 HB2 ASN 93 HB2 ASN 93 -41.406 14.193 2.866 713 HB3 ASN 93 HB3 ASN 93 -41.679 15.066 1.360 714 HD21 ASN 93 HD21 ASN 93 -39.614 12.810 2.472 715 HD22 ASN 93 HD22 ASN 93 -38.186 13.371 1.649 716 H PHE 94 H PHE 94 -42.343 18.512 2.974 717 HA PHE 94 HA PHE 94 -44.891 17.674 4.126 718 HB2 PHE 94 HB2 PHE 94 -43.601 20.520 4.048 719 HB3 PHE 94 HB3 PHE 94 -45.222 20.154 4.510 720 HD1 PHE 94 HD1 PHE 94 -41.678 19.268 5.530 721 HD2 PHE 94 HD2 PHE 94 -45.890 19.532 6.601 722 HE1 PHE 94 HE1 PHE 94 -41.108 19.095 7.911 723 HE2 PHE 94 HE2 PHE 94 -45.272 19.412 9.041 724 HZ PHE 94 HZ PHE 94 -42.837 19.063 9.631 725 HA PRO 95 HA PRO 95 -46.694 18.617 0.353 726 HB2 PRO 95 HB2 PRO 95 -48.656 20.784 1.279 727 HB3 PRO 95 HB3 PRO 95 -49.011 19.116 0.545 728 HG2 PRO 95 HG2 PRO 95 -49.347 19.604 3.398 729 HG3 PRO 95 HG3 PRO 95 -48.813 17.976 2.720 730 HD2 PRO 95 HD2 PRO 95 -47.084 19.924 4.051 731 HD3 PRO 95 HD3 PRO 95 -46.953 18.083 3.868 732 H ASN 96 H ASN 96 -45.993 22.015 1.713 733 HA ASN 96 HA ASN 96 -44.869 22.367 -1.001 734 HB2 ASN 96 HB2 ASN 96 -46.249 24.491 0.776 735 HB3 ASN 96 HB3 ASN 96 -45.216 24.913 -0.555 736 HD21 ASN 96 HD21 ASN 96 -48.416 23.936 0.115 737 HD22 ASN 96 HD22 ASN 96 -48.848 23.899 -1.615 738 H TYR 97 H TYR 97 -43.749 21.210 1.653 739 HA TYR 97 HA TYR 97 -41.535 23.072 1.739 740 HB2 TYR 97 HB2 TYR 97 -42.952 23.964 3.452 741 HB3 TYR 97 HB3 TYR 97 -42.788 22.439 4.360 742 HD1 TYR 97 HD1 TYR 97 -40.829 25.225 2.808 743 HD2 TYR 97 HD2 TYR 97 -40.836 21.987 5.630 744 HE1 TYR 97 HE1 TYR 97 -38.631 25.978 3.676 745 HE2 TYR 97 HE2 TYR 97 -38.639 22.739 6.499 746 HH TYR 97 HH TYR 97 -37.008 24.236 6.330 747 H HIS 98 H HIS 98 -39.522 22.315 2.083 748 HA HIS 98 HA HIS 98 -39.196 19.537 2.989 749 HB2 HIS 98 HB2 HIS 98 -39.620 19.119 0.682 750 HB3 HIS 98 HB3 HIS 98 -38.780 20.575 0.172 751 HD1 HIS 98 HD1 HIS 98 -37.668 17.319 1.964 752 HD2 HIS 98 HD2 HIS 98 -36.580 20.075 -1.040 753 HE1 HIS 98 HE1 HIS 98 -35.435 16.463 0.962 754 H GLN 99 H GLN 99 -37.064 19.095 3.664 755 HA GLN 99 HA GLN 99 -35.052 20.660 2.481 756 HB2 GLN 99 HB2 GLN 99 -33.889 21.665 4.202 757 HB3 GLN 99 HB3 GLN 99 -35.553 22.123 4.549 758 HG2 GLN 99 HG2 GLN 99 -35.584 20.464 6.359 759 HG3 GLN 99 HG3 GLN 99 -33.945 19.923 5.959 760 HE21 GLN 99 HE21 GLN 99 -32.359 20.864 7.269 761 HE22 GLN 99 HE22 GLN 99 -32.482 22.549 7.767 762 H THR 100 H THR 100 -32.877 20.020 3.134 763 HA THR 100 HA THR 100 -32.632 17.265 4.191 764 HB THR 100 HB THR 100 -31.378 18.338 1.628 765 HG1 THR 100 HG1 THR 100 -32.476 16.565 0.704 766 HG21 THR 100 HG21 THR 100 -31.174 15.587 2.893 767 HG22 THR 100 HG22 THR 100 -29.861 16.789 2.765 768 HG23 THR 100 HG23 THR 100 -30.537 16.070 1.298 769 H SER 101 H SER 101 -30.816 17.179 5.601 770 HA SER 101 HA SER 101 -29.022 19.611 5.647 771 HB2 SER 101 HB2 SER 101 -30.205 17.968 7.906 772 HB3 SER 101 HB3 SER 101 -28.952 19.217 8.055 773 HG SER 101 HG SER 101 -30.288 20.734 7.746 774 H GLU 102 H GLU 102 -26.761 19.339 5.984 775 HA GLU 102 HA GLU 102 -25.759 16.576 6.181 776 HB2 GLU 102 HB2 GLU 102 -26.451 17.101 3.776 777 HB3 GLU 102 HB3 GLU 102 -25.231 18.502 3.904 778 HG2 GLU 102 HG2 GLU 102 -24.368 16.647 2.577 779 HG3 GLU 102 HG3 GLU 102 -23.365 17.005 4.159 780 H ILE 103 H ILE 103 -23.434 16.304 6.287 781 HA ILE 103 HA ILE 103 -22.006 18.634 7.340 782 HB ILE 103 HB ILE 103 -22.531 17.326 9.426 783 HG12 ILE 103 HG12 ILE 103 -19.635 16.622 8.795 784 HG13 ILE 103 HG13 ILE 103 -20.212 18.218 9.003 785 HG21 ILE 103 HG21 ILE 103 -23.178 15.256 8.108 786 HG22 ILE 103 HG22 ILE 103 -22.144 14.960 9.506 787 HG23 ILE 103 HG23 ILE 103 -21.463 14.800 7.878 788 HD11 ILE 103 HD11 ILE 103 -20.551 15.965 11.159 789 HD12 ILE 103 HD12 ILE 103 -21.123 17.646 11.393 790 HD13 ILE 103 HD13 ILE 103 -19.408 17.380 11.121 791 H VAL 104 H VAL 104 -20.234 19.272 6.202 792 HA VAL 104 HA VAL 104 -19.102 17.101 4.461 793 HB VAL 104 HB VAL 104 -19.893 19.938 3.848 794 HG11 VAL 104 HG11 VAL 104 -18.635 17.878 2.009 795 HG12 VAL 104 HG12 VAL 104 -17.756 19.289 2.613 796 HG13 VAL 104 HG13 VAL 104 -19.079 19.405 1.472 797 HG21 VAL 104 HG21 VAL 104 -21.376 18.895 2.089 798 HG22 VAL 104 HG22 VAL 104 -21.888 18.625 3.794 799 HG23 VAL 104 HG23 VAL 104 -21.185 17.287 2.921 800 H GLY 105 H GLY 105 -17.127 16.837 5.009 801 HA2 GLY 105 HA2 GLY 105 -15.029 17.238 5.664 802 HA3 GLY 105 HA3 GLY 105 -15.289 18.971 5.334 803 H ASP 106 H ASP 106 -15.276 20.262 7.026 804 HA ASP 106 HA ASP 106 -16.110 19.474 9.794 805 HB2 ASP 106 HB2 ASP 106 -14.247 21.733 8.754 806 HB3 ASP 106 HB3 ASP 106 -14.693 21.519 10.455 807 H LYS 107 H LYS 107 -17.264 20.967 7.276 808 HA LYS 107 HA LYS 107 -18.535 23.221 8.741 809 HB2 LYS 107 HB2 LYS 107 -18.277 22.854 5.729 810 HB3 LYS 107 HB3 LYS 107 -18.844 24.288 6.581 811 HG2 LYS 107 HG2 LYS 107 -16.001 23.196 6.489 812 HG3 LYS 107 HG3 LYS 107 -16.611 24.658 5.717 813 HD2 LYS 107 HD2 LYS 107 -17.012 25.688 7.936 814 HD3 LYS 107 HD3 LYS 107 -16.409 24.213 8.733 815 HE2 LYS 107 HE2 LYS 107 -14.245 24.449 7.529 816 HE3 LYS 107 HE3 LYS 107 -14.822 25.954 6.797 817 HZ1 LYS 107 HZ1 LYS 107 -13.459 26.372 8.750 818 HZ2 LYS 107 HZ2 LYS 107 -14.451 25.482 9.703 819 HZ3 LYS 107 HZ3 LYS 107 -14.991 26.894 9.032 820 H LEU 108 H LEU 108 -20.674 23.633 8.226 821 HA LEU 108 HA LEU 108 -22.270 21.104 8.023 822 HB2 LEU 108 HB2 LEU 108 -21.897 23.262 10.131 823 HB3 LEU 108 HB3 LEU 108 -23.491 22.647 9.883 824 HG LEU 108 HG LEU 108 -22.521 21.447 11.683 825 HD11 LEU 108 HD11 LEU 108 -22.817 19.193 11.061 826 HD12 LEU 108 HD12 LEU 108 -22.254 19.504 9.403 827 HD13 LEU 108 HD13 LEU 108 -23.817 20.103 9.912 828 HD21 LEU 108 HD21 LEU 108 -20.233 20.517 9.910 829 HD22 LEU 108 HD22 LEU 108 -20.460 20.188 11.614 830 HD23 LEU 108 HD23 LEU 108 -20.100 21.847 11.067 831 H VAL 109 H VAL 109 -23.697 21.245 6.386 832 HA VAL 109 HA VAL 109 -24.499 23.840 5.469 833 HB VAL 109 HB VAL 109 -22.492 22.623 4.533 834 HG11 VAL 109 HG11 VAL 109 -23.175 20.336 4.384 835 HG12 VAL 109 HG12 VAL 109 -23.173 20.898 2.748 836 HG13 VAL 109 HG13 VAL 109 -24.771 20.798 3.527 837 HG21 VAL 109 HG21 VAL 109 -23.267 23.263 2.221 838 HG22 VAL 109 HG22 VAL 109 -23.617 24.483 3.471 839 HG23 VAL 109 HG23 VAL 109 -24.922 23.337 2.904 840 H GLU 110 H GLU 110 -26.591 23.985 4.575 841 HA GLU 110 HA GLU 110 -28.229 21.488 4.438 842 HB2 GLU 110 HB2 GLU 110 -29.184 22.109 6.306 843 HB3 GLU 110 HB3 GLU 110 -28.503 23.722 6.245 844 HG2 GLU 110 HG2 GLU 110 -31.049 22.877 4.847 845 HG3 GLU 110 HG3 GLU 110 -30.946 23.674 6.409 846 H VAL 111 H VAL 111 -30.150 21.647 3.179 847 HA VAL 111 HA VAL 111 -30.285 23.847 1.287 848 HB VAL 111 HB VAL 111 -28.760 22.373 0.113 849 HG11 VAL 111 HG11 VAL 111 -30.929 20.259 -0.063 850 HG12 VAL 111 HG12 VAL 111 -29.511 20.160 1.008 851 HG13 VAL 111 HG13 VAL 111 -29.297 20.225 -0.749 852 HG21 VAL 111 HG21 VAL 111 -31.521 22.442 -1.165 853 HG22 VAL 111 HG22 VAL 111 -29.957 22.293 -2.006 854 HG23 VAL 111 HG23 VAL 111 -30.344 23.776 -1.124 855 H SER 112 H SER 112 -32.219 24.500 1.980 856 HA SER 112 HA SER 112 -34.284 22.479 2.280 857 HB2 SER 112 HB2 SER 112 -34.382 25.583 3.093 858 HB3 SER 112 HB3 SER 112 -35.564 24.396 3.562 859 HG SER 112 HG SER 112 -32.667 24.492 4.164 860 H THR 113 H THR 113 -36.520 23.361 1.649 861 HA THR 113 HA THR 113 -36.593 25.129 -0.651 862 HB THR 113 HB THR 113 -37.768 22.376 -0.940 863 HG1 THR 113 HG1 THR 113 -35.162 23.197 -1.351 864 HG21 THR 113 HG21 THR 113 -38.653 24.046 -2.470 865 HG22 THR 113 HG22 THR 113 -37.654 22.912 -3.355 866 HG23 THR 113 HG23 THR 113 -37.033 24.542 -2.955 867 H ILE 114 H ILE 114 -38.505 26.341 -0.610 868 HA ILE 114 HA ILE 114 -40.931 25.135 0.671 869 HB ILE 114 HB ILE 114 -39.906 26.899 2.176 870 HG12 ILE 114 HG12 ILE 114 -42.326 26.422 2.411 871 HG13 ILE 114 HG13 ILE 114 -41.922 28.058 2.726 872 HG21 ILE 114 HG21 ILE 114 -38.932 28.352 0.559 873 HG22 ILE 114 HG22 ILE 114 -39.900 29.156 1.778 874 HG23 ILE 114 HG23 ILE 114 -40.539 28.963 0.134 875 HD11 ILE 114 HD11 ILE 114 -43.983 28.087 1.580 876 HD12 ILE 114 HD12 ILE 114 -43.543 26.789 0.515 877 HD13 ILE 114 HD13 ILE 114 -42.859 28.409 0.238 878 H GLY 115 H GLY 115 -42.627 25.099 -0.871 879 HA2 GLY 115 HA2 GLY 115 -43.721 25.769 -2.726 880 HA3 GLY 115 HA3 GLY 115 -43.107 27.400 -2.342 881 H GLY 116 H GLY 116 -40.710 24.898 -3.263 882 HA2 GLY 116 HA2 GLY 116 -39.519 24.534 -5.006 883 HA3 GLY 116 HA3 GLY 116 -40.560 25.612 -6.021 884 H VAL 117 H VAL 117 -39.238 26.935 -3.032 885 HA VAL 117 HA VAL 117 -37.112 28.143 -4.642 886 HB VAL 117 HB VAL 117 -39.142 29.794 -4.080 887 HG11 VAL 117 HG11 VAL 117 -38.870 30.924 -2.016 888 HG12 VAL 117 HG12 VAL 117 -37.325 30.127 -1.517 889 HG13 VAL 117 HG13 VAL 117 -38.951 29.297 -1.479 890 HG21 VAL 117 HG21 VAL 117 -37.644 31.598 -4.216 891 HG22 VAL 117 HG22 VAL 117 -37.043 30.216 -5.247 892 HG23 VAL 117 HG23 VAL 117 -36.233 30.624 -3.715 893 H THR 118 H THR 118 -35.104 28.024 -3.988 894 HA THR 118 HA THR 118 -34.514 26.356 -1.755 895 HB THR 118 HB THR 118 -32.284 27.587 -3.281 896 HG1 THR 118 HG1 THR 118 -32.692 26.003 -4.902 897 HG21 THR 118 HG21 THR 118 -31.826 25.806 -1.615 898 HG22 THR 118 HG22 THR 118 -31.424 25.287 -3.250 899 HG23 THR 118 HG23 THR 118 -32.924 24.714 -2.484 900 H TYR 119 H TYR 119 -33.303 26.586 -0.023 901 HA TYR 119 HA TYR 119 -31.947 29.121 0.655 902 HB2 TYR 119 HB2 TYR 119 -34.021 29.311 1.821 903 HB3 TYR 119 HB3 TYR 119 -33.960 27.646 2.351 904 HD1 TYR 119 HD1 TYR 119 -32.676 31.026 2.953 905 HD2 TYR 119 HD2 TYR 119 -32.769 26.955 4.297 906 HE1 TYR 119 HE1 TYR 119 -31.667 31.701 5.153 907 HE2 TYR 119 HE2 TYR 119 -31.820 27.617 6.479 908 HH TYR 119 HH TYR 119 -30.927 29.375 7.692 909 H GLU 120 H GLU 120 -29.784 28.622 1.686 910 HA GLU 120 HA GLU 120 -29.179 25.713 1.899 911 HB2 GLU 120 HB2 GLU 120 -29.428 26.138 -0.547 912 HB3 GLU 120 HB3 GLU 120 -28.263 27.442 -0.407 913 HG2 GLU 120 HG2 GLU 120 -26.637 25.485 0.431 914 HG3 GLU 120 HG3 GLU 120 -27.829 24.448 -0.328 915 H ARG 121 H ARG 121 -28.329 26.485 4.060 916 HA ARG 121 HA ARG 121 -26.106 28.495 3.815 917 HB2 ARG 121 HB2 ARG 121 -28.024 28.025 6.103 918 HB3 ARG 121 HB3 ARG 121 -26.882 29.339 5.939 919 HG2 ARG 121 HG2 ARG 121 -29.464 28.851 4.487 920 HG3 ARG 121 HG3 ARG 121 -28.941 30.285 5.358 921 HD2 ARG 121 HD2 ARG 121 -28.218 29.425 2.536 922 HD3 ARG 121 HD3 ARG 121 -29.116 30.811 3.052 923 HE ARG 121 HE ARG 121 -26.866 31.428 4.233 924 HH11 ARG 121 HH11 ARG 121 -26.487 29.390 1.466 925 HH12 ARG 121 HH12 ARG 121 -25.186 30.280 0.825 926 HH21 ARG 121 HH21 ARG 121 -25.416 32.823 3.128 927 HH22 ARG 121 HH22 ARG 121 -24.601 32.211 1.720 928 H VAL 122 H VAL 122 -24.439 28.688 5.533 929 HA VAL 122 HA VAL 122 -23.196 26.001 6.017 930 HB VAL 122 HB VAL 122 -21.659 28.587 5.495 931 HG11 VAL 122 HG11 VAL 122 -20.285 26.508 6.293 932 HG12 VAL 122 HG12 VAL 122 -20.024 26.830 4.435 933 HG13 VAL 122 HG13 VAL 122 -21.061 25.578 4.919 934 HG21 VAL 122 HG21 VAL 122 -22.925 28.715 3.562 935 HG22 VAL 122 HG22 VAL 122 -23.265 27.032 3.448 936 HG23 VAL 122 HG23 VAL 122 -21.660 27.642 3.018 937 H SER 123 H SER 123 -22.109 25.652 7.810 938 HA SER 123 HA SER 123 -21.351 27.938 9.556 939 HB2 SER 123 HB2 SER 123 -23.555 27.260 10.119 940 HB3 SER 123 HB3 SER 123 -23.079 25.537 10.193 941 HG SER 123 HG SER 123 -22.288 27.623 11.920 942 H LYS 124 H LYS 124 -20.226 27.225 11.441 943 HA LYS 124 HA LYS 124 -18.296 25.108 10.589 944 HB2 LYS 124 HB2 LYS 124 -16.453 26.504 11.190 945 HB3 LYS 124 HB3 LYS 124 -17.458 27.241 9.962 946 HG2 LYS 124 HG2 LYS 124 -16.837 29.040 11.143 947 HG3 LYS 124 HG3 LYS 124 -18.398 28.742 11.860 948 HD2 LYS 124 HD2 LYS 124 -17.432 28.065 13.931 949 HD3 LYS 124 HD3 LYS 124 -15.911 27.632 13.178 950 HE2 LYS 124 HE2 LYS 124 -15.600 29.631 14.476 951 HE3 LYS 124 HE3 LYS 124 -15.406 30.021 12.753 952 HZ1 LYS 124 HZ1 LYS 124 -17.706 30.616 14.497 953 HZ2 LYS 124 HZ2 LYS 124 -17.741 30.953 12.858 954 HZ3 LYS 124 HZ3 LYS 124 -16.706 31.705 13.833 955 H ARG 125 H ARG 125 -17.912 23.584 11.868 956 HA ARG 125 HA ARG 125 -18.899 23.496 14.577 957 HB2 ARG 125 HB2 ARG 125 -18.387 21.263 14.593 958 HB3 ARG 125 HB3 ARG 125 -18.654 21.528 12.875 959 HG2 ARG 125 HG2 ARG 125 -16.090 21.756 12.663 960 HG3 ARG 125 HG3 ARG 125 -15.999 21.172 14.325 961 HD2 ARG 125 HD2 ARG 125 -17.220 19.690 11.969 962 HD3 ARG 125 HD3 ARG 125 -15.653 19.359 12.715 963 HE ARG 125 HE ARG 125 -17.586 19.197 14.773 964 HH11 ARG 125 HH11 ARG 125 -16.570 17.354 11.985 965 HH12 ARG 125 HH12 ARG 125 -17.383 15.910 12.496 966 HH21 ARG 125 HH21 ARG 125 -18.721 17.305 15.357 967 HH22 ARG 125 HH22 ARG 125 -18.547 15.896 14.366 968 H LEU 126 H LEU 126 -17.764 23.403 16.462 969 HA LEU 126 HA LEU 126 -14.853 23.234 16.480 970 HB2 LEU 126 HB2 LEU 126 -14.347 25.255 17.644 971 HB3 LEU 126 HB3 LEU 126 -15.074 25.595 16.109 972 HG LEU 126 HG LEU 126 -15.801 27.226 17.570 973 HD11 LEU 126 HD11 LEU 126 -18.207 25.387 17.487 974 HD12 LEU 126 HD12 LEU 126 -17.571 26.273 16.072 975 HD13 LEU 126 HD13 LEU 126 -18.138 27.158 17.466 976 HD21 LEU 126 HD21 LEU 126 -15.346 26.036 19.711 977 HD22 LEU 126 HD22 LEU 126 -16.916 25.222 19.556 978 HD23 LEU 126 HD23 LEU 126 -16.817 27.006 19.683 979 H ALA 127 H ALA 127 -17.245 21.765 17.567 980 HA ALA 127 HA ALA 127 -16.255 21.603 20.387 981 HB1 ALA 127 HB1 ALA 127 -18.243 19.875 20.664 982 HB2 ALA 127 HB2 ALA 127 -18.750 20.387 19.065 983 HB3 ALA 127 HB3 ALA 127 -18.685 21.633 20.462 984 H12 GCH 201 H12 GCH 128 -28.020 17.457 11.718 985 H1 GCH 201 H1 GCH 128 -30.277 18.522 11.412 986 H10 GCH 201 H10 GCH 128 -29.128 19.846 10.291 987 H11 GCH 201 H11 GCH 128 -28.163 18.433 9.755 988 H9 GCH 201 H9 GCH 128 -26.117 19.457 10.336 989 H4 GCH 201 H4 GCH 128 -27.077 21.128 13.610 990 H5 GCH 201 H5 GCH 128 -28.581 21.105 12.745 991 H2 GCH 201 H2 GCH 128 -26.529 18.771 12.859 992 H3 GCH 201 H3 GCH 128 -27.952 18.925 13.941 993 H6 GCH 201 H6 GCH 128 -24.853 21.802 11.094 994 H7 GCH 201 H7 GCH 128 -25.096 20.133 11.972 995 H8 GCH 201 H8 GCH 128 -25.056 21.577 12.895 996 H17 GCH 201 H17 GCH 128 -26.996 20.098 8.109 997 H18 GCH 201 H18 GCH 128 -25.764 21.043 8.907 998 H16 GCH 201 H16 GCH 128 -27.417 22.489 7.798 999 H13 GCH 201 H13 GCH 128 -29.138 21.477 9.855 1000 H15 GCH 201 H15 GCH 128 -26.072 23.285 9.586 1001 H14 GCH 201 H14 GCH 128 -28.423 22.575 11.513 1002 H41 GCH 201 H41 GCH 128 -26.664 23.200 13.284 1003 H42 GCH 201 H42 GCH 128 -25.551 23.818 12.071 1004 H40 GCH 201 H40 GCH 128 -26.265 25.692 12.665 1005 H35 GCH 201 H35 GCH 128 -28.914 24.182 10.317 1006 H33 GCH 201 H33 GCH 128 -28.948 24.517 8.090 1007 H34 GCH 201 H34 GCH 128 -27.220 25.228 7.942 1008 H31 GCH 201 H31 GCH 128 -29.603 26.692 8.752 1009 H32 GCH 201 H32 GCH 128 -27.944 27.266 8.414 1010 H30 GCH 201 H30 GCH 128 -29.259 26.203 10.912 1011 H29 GCH 201 H29 GCH 128 -27.477 28.489 10.215 1012 H19 GCH 201 H19 GCH 128 -27.611 27.573 13.177 1013 H20 GCH 201 H20 GCH 128 -26.263 27.772 12.237 1014 H21 GCH 201 H21 GCH 128 -27.195 29.272 12.619 1015 H27 GCH 201 H27 GCH 128 -29.942 28.322 12.161 1016 H28 GCH 201 H28 GCH 128 -29.220 29.826 11.700 1017 H25 GCH 201 H25 GCH 128 -30.275 29.506 9.299 1018 H26 GCH 201 H26 GCH 128 -30.921 27.931 9.891 1019 H24 GCH 201 H24 GCH 128 -30.506 31.100 11.355 1020 H22 GCH 201 H22 GCH 128 -33.038 31.243 12.626 1021 H23 GCH 201 H23 GCH 128 -32.817 32.434 11.323 1022 H36 GCH 201 H36 GCH 128 -25.466 25.389 9.332 1023 H37 GCH 201 H37 GCH 128 -25.877 27.132 9.897 1024 H38 GCH 201 H38 GCH 128 -25.008 26.100 10.934 1025 H39 GCH 201 H39 GCH 128 -28.761 24.465 12.923 1026 H11 CHO 202 H11 CHO 129 -36.053 18.690 8.575 1027 H12 CHO 202 H12 CHO 129 -35.726 17.282 9.720 1028 H21 CHO 202 H21 CHO 129 -33.720 17.691 8.446 1029 H22 CHO 202 H22 CHO 129 -33.776 19.411 9.095 1030 H3 CHO 202 H3 CHO 129 -33.503 16.747 10.665 1031 HO3 CHO 202 HO3 CHO 129 -31.848 18.182 9.338 1032 H41 CHO 202 H41 CHO 129 -33.138 18.153 12.634 1033 H42 CHO 202 H42 CHO 129 -33.437 19.646 11.836 1034 H5 CHO 202 H5 CHO 129 -35.749 17.636 12.048 1035 H61 CHO 202 H61 CHO 129 -36.625 19.159 13.634 1036 H62 CHO 202 H62 CHO 129 -34.966 19.093 14.080 1037 H7 CHO 202 H7 CHO 129 -36.405 21.218 13.883 1038 HO7 CHO 202 HO7 CHO 129 -34.505 21.955 14.320 1039 H8 CHO 202 H8 CHO 129 -37.290 21.396 11.817 1040 H9 CHO 202 H9 CHO 129 -34.557 20.836 10.546 1041 H111 CHO 202 H111 CHO 129 -35.573 20.814 8.406 1042 H112 CHO 202 H112 CHO 129 -37.238 21.025 9.087 1043 H121 CHO 202 H121 CHO 129 -36.386 23.279 8.197 1044 H122 CHO 202 H122 CHO 129 -34.833 22.850 9.117 1045 H14 CHO 202 H14 CHO 129 -34.591 22.919 11.327 1046 H151 CHO 202 H151 CHO 129 -36.840 23.638 13.314 1047 H152 CHO 202 H152 CHO 129 -35.099 23.913 13.353 1048 H161 CHO 202 H161 CHO 129 -37.231 25.600 11.923 1049 H162 CHO 202 H162 CHO 129 -35.561 26.030 12.362 1050 H17 CHO 202 H17 CHO 129 -34.696 24.850 10.391 1051 H181 CHO 202 H181 CHO 129 -38.451 23.087 9.388 1052 H182 CHO 202 H182 CHO 129 -38.347 23.041 11.224 1053 H183 CHO 202 H183 CHO 129 -38.222 24.577 10.223 1054 H191 CHO 202 H191 CHO 129 -37.722 17.798 10.790 1055 H192 CHO 202 H192 CHO 129 -37.889 19.322 11.788 1056 H193 CHO 202 H193 CHO 129 -38.185 19.414 10.066 1057 H20 CHO 202 H20 CHO 129 -37.260 26.006 9.141 1058 H211 CHO 202 H211 CHO 129 -35.218 25.116 7.867 1059 H212 CHO 202 H212 CHO 129 -35.727 26.820 7.610 1060 H213 CHO 202 H213 CHO 129 -34.316 26.454 8.707 1061 H221 CHO 202 H221 CHO 129 -35.502 28.194 9.537 1062 H222 CHO 202 H222 CHO 129 -35.650 27.620 11.176 1063 H231 CHO 202 H231 CHO 129 -37.246 29.442 10.854 1064 H232 CHO 202 H232 CHO 129 -37.687 28.865 9.271 1065 HN CHO 202 HN CHO 129 -39.319 29.761 11.430 1066 H261 CHO 202 H261 CHO 129 -41.249 29.018 10.279 1067 H262 CHO 202 H262 CHO 129 -41.216 27.412 11.104 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -23.622 11.240 12.520 2 H2 ALA 1 H2 ALA 1 -23.770 9.925 13.669 3 H3 ALA 1 H3 ALA 1 -22.340 10.805 13.466 4 HA ALA 1 HA ALA 1 -24.934 11.892 14.490 5 HB1 ALA 1 HB1 ALA 1 -22.330 11.110 15.988 6 HB2 ALA 1 HB2 ALA 1 -23.728 10.261 16.131 7 HB3 ALA 1 HB3 ALA 1 -23.724 11.914 16.827 8 H PHE 2 H PHE 2 -25.154 13.984 14.601 9 HA PHE 2 HA PHE 2 -22.949 15.642 13.522 10 HB2 PHE 2 HB2 PHE 2 -25.888 16.230 13.877 11 HB3 PHE 2 HB3 PHE 2 -24.671 17.256 13.149 12 HD1 PHE 2 HD1 PHE 2 -26.087 13.786 12.510 13 HD2 PHE 2 HD2 PHE 2 -24.800 17.593 10.980 14 HE1 PHE 2 HE1 PHE 2 -26.854 13.148 10.238 15 HE2 PHE 2 HE2 PHE 2 -25.675 17.007 8.752 16 HZ PHE 2 HZ PHE 2 -26.675 14.786 8.374 17 H THR 3 H THR 3 -23.901 14.839 16.596 18 HA THR 3 HA THR 3 -24.122 16.642 18.235 19 HB THR 3 HB THR 3 -21.703 14.736 18.523 20 HG1 THR 3 HG1 THR 3 -23.178 13.584 19.471 21 HG21 THR 3 HG21 THR 3 -21.466 16.519 20.203 22 HG22 THR 3 HG22 THR 3 -22.181 15.105 20.924 23 HG23 THR 3 HG23 THR 3 -23.218 16.516 20.607 24 H GLY 4 H GLY 4 -22.992 18.340 19.338 25 HA2 GLY 4 HA2 GLY 4 -20.784 19.407 19.873 26 HA3 GLY 4 HA3 GLY 4 -20.645 19.463 18.051 27 H LYS 5 H LYS 5 -20.087 21.632 18.494 28 HA LYS 5 HA LYS 5 -22.402 23.453 18.959 29 HB2 LYS 5 HB2 LYS 5 -20.218 23.298 20.612 30 HB3 LYS 5 HB3 LYS 5 -19.588 24.430 19.437 31 HG2 LYS 5 HG2 LYS 5 -21.944 24.701 21.305 32 HG3 LYS 5 HG3 LYS 5 -20.484 25.653 21.283 33 HD2 LYS 5 HD2 LYS 5 -22.692 25.781 19.187 34 HD3 LYS 5 HD3 LYS 5 -22.537 26.863 20.547 35 HE2 LYS 5 HE2 LYS 5 -20.404 26.588 18.383 36 HE3 LYS 5 HE3 LYS 5 -21.721 27.755 18.326 37 HZ1 LYS 5 HZ1 LYS 5 -19.782 28.799 19.226 38 HZ2 LYS 5 HZ2 LYS 5 -19.601 27.676 20.402 39 HZ3 LYS 5 HZ3 LYS 5 -20.884 28.717 20.410 40 H PHE 6 H PHE 6 -22.844 24.689 17.283 41 HA PHE 6 HA PHE 6 -20.930 24.994 15.028 42 HB2 PHE 6 HB2 PHE 6 -23.946 24.527 14.964 43 HB3 PHE 6 HB3 PHE 6 -22.884 24.668 13.568 44 HD1 PHE 6 HD1 PHE 6 -23.922 22.504 16.391 45 HD2 PHE 6 HD2 PHE 6 -21.381 22.834 12.927 46 HE1 PHE 6 HE1 PHE 6 -23.255 20.133 16.641 47 HE2 PHE 6 HE2 PHE 6 -20.811 20.408 13.171 48 HZ PHE 6 HZ PHE 6 -21.634 19.121 15.071 49 H GLU 7 H GLU 7 -21.018 26.902 13.855 50 HA GLU 7 HA GLU 7 -22.793 29.076 14.860 51 HB2 GLU 7 HB2 GLU 7 -19.822 29.297 14.287 52 HB3 GLU 7 HB3 GLU 7 -20.904 30.667 14.589 53 HG2 GLU 7 HG2 GLU 7 -21.430 29.838 16.832 54 HG3 GLU 7 HG3 GLU 7 -20.476 28.386 16.558 55 H MET 8 H MET 8 -24.072 29.765 13.284 56 HA MET 8 HA MET 8 -23.581 28.995 10.510 57 HB2 MET 8 HB2 MET 8 -25.877 29.003 11.481 58 HB3 MET 8 HB3 MET 8 -25.734 30.750 11.728 59 HG2 MET 8 HG2 MET 8 -27.028 30.348 9.790 60 HG3 MET 8 HG3 MET 8 -25.527 31.146 9.326 61 HE1 MET 8 HE1 MET 8 -27.196 29.985 7.010 62 HE2 MET 8 HE2 MET 8 -28.037 29.032 8.236 63 HE3 MET 8 HE3 MET 8 -27.282 28.212 6.857 64 H GLU 9 H GLU 9 -22.493 30.219 9.098 65 HA GLU 9 HA GLU 9 -21.919 33.055 9.882 66 HB2 GLU 9 HB2 GLU 9 -20.179 30.867 8.728 67 HB3 GLU 9 HB3 GLU 9 -19.797 32.555 8.416 68 HG2 GLU 9 HG2 GLU 9 -19.986 32.929 10.963 69 HG3 GLU 9 HG3 GLU 9 -19.812 31.173 11.081 70 H SER 10 H SER 10 -24.071 31.825 7.787 71 HA SER 10 HA SER 10 -23.388 33.761 5.642 72 HB2 SER 10 HB2 SER 10 -22.020 31.622 5.354 73 HB3 SER 10 HB3 SER 10 -23.544 30.802 5.007 74 HG SER 10 HG SER 10 -22.390 33.026 3.674 75 H GLU 11 H GLU 11 -25.039 34.568 4.561 76 HA GLU 11 HA GLU 11 -27.766 33.480 4.820 77 HB2 GLU 11 HB2 GLU 11 -26.654 36.035 3.614 78 HB3 GLU 11 HB3 GLU 11 -28.369 35.631 3.719 79 HG2 GLU 11 HG2 GLU 11 -28.208 35.639 6.194 80 HG3 GLU 11 HG3 GLU 11 -26.501 36.086 6.084 81 H LYS 12 H LYS 12 -28.922 32.482 3.015 82 HA LYS 12 HA LYS 12 -28.823 33.975 0.587 83 HB2 LYS 12 HB2 LYS 12 -26.975 31.921 0.403 84 HB3 LYS 12 HB3 LYS 12 -28.409 30.939 0.365 85 HG2 LYS 12 HG2 LYS 12 -27.704 31.341 -1.912 86 HG3 LYS 12 HG3 LYS 12 -29.193 32.159 -1.668 87 HD2 LYS 12 HD2 LYS 12 -28.219 34.322 -1.896 88 HD3 LYS 12 HD3 LYS 12 -26.747 33.849 -0.961 89 HE2 LYS 12 HE2 LYS 12 -26.249 34.526 -3.195 90 HE3 LYS 12 HE3 LYS 12 -25.710 32.837 -2.882 91 HZ1 LYS 12 HZ1 LYS 12 -27.568 33.895 -4.715 92 HZ2 LYS 12 HZ2 LYS 12 -28.199 32.477 -4.026 93 HZ3 LYS 12 HZ3 LYS 12 -26.635 32.424 -4.731 94 H ASN 13 H ASN 13 -30.679 34.404 0.027 95 HA ASN 13 HA ASN 13 -32.868 34.468 -0.372 96 HB2 ASN 13 HB2 ASN 13 -32.421 32.160 -1.392 97 HB3 ASN 13 HB3 ASN 13 -33.056 31.476 0.110 98 HD21 ASN 13 HD21 ASN 13 -34.656 30.479 -1.275 99 HD22 ASN 13 HD22 ASN 13 -35.974 31.482 -1.904 100 H TYR 14 H TYR 14 -31.681 34.072 2.628 101 HA TYR 14 HA TYR 14 -33.518 32.772 4.195 102 HB2 TYR 14 HB2 TYR 14 -32.432 33.760 6.048 103 HB3 TYR 14 HB3 TYR 14 -31.202 33.698 4.799 104 HD1 TYR 14 HD1 TYR 14 -30.594 35.840 3.537 105 HD2 TYR 14 HD2 TYR 14 -33.250 35.838 6.937 106 HE1 TYR 14 HE1 TYR 14 -30.292 38.279 3.763 107 HE2 TYR 14 HE2 TYR 14 -33.022 38.309 7.095 108 HH TYR 14 HH TYR 14 -30.546 39.987 5.188 109 H ASP 15 H ASP 15 -33.774 36.126 3.125 110 HA ASP 15 HA ASP 15 -35.513 37.109 5.035 111 HB2 ASP 15 HB2 ASP 15 -35.753 39.060 3.667 112 HB3 ASP 15 HB3 ASP 15 -34.058 38.426 3.906 113 H GLU 16 H GLU 16 -36.349 36.386 1.558 114 HA GLU 16 HA GLU 16 -38.983 36.074 2.166 115 HB2 GLU 16 HB2 GLU 16 -37.094 35.201 -0.142 116 HB3 GLU 16 HB3 GLU 16 -38.716 34.774 -0.204 117 HG2 GLU 16 HG2 GLU 16 -37.895 37.733 -0.204 118 HG3 GLU 16 HG3 GLU 16 -38.490 36.818 -1.562 119 H PHE 17 H PHE 17 -36.434 33.756 2.315 120 HA PHE 17 HA PHE 17 -38.111 31.471 2.303 121 HB2 PHE 17 HB2 PHE 17 -35.663 31.603 1.803 122 HB3 PHE 17 HB3 PHE 17 -35.347 31.799 3.527 123 HD1 PHE 17 HD1 PHE 17 -36.539 29.574 0.846 124 HD2 PHE 17 HD2 PHE 17 -35.421 29.826 5.008 125 HE1 PHE 17 HE1 PHE 17 -36.549 27.098 0.996 126 HE2 PHE 17 HE2 PHE 17 -35.438 27.341 5.154 127 HZ PHE 17 HZ PHE 17 -36.080 25.998 3.162 128 H MET 18 H MET 18 -36.598 33.060 5.326 129 HA MET 18 HA MET 18 -38.063 31.322 7.063 130 HB2 MET 18 HB2 MET 18 -37.269 34.196 7.523 131 HB3 MET 18 HB3 MET 18 -37.706 33.083 8.743 132 HG2 MET 18 HG2 MET 18 -35.733 31.676 7.358 133 HG3 MET 18 HG3 MET 18 -35.016 33.437 7.572 134 HE1 MET 18 HE1 MET 18 -35.177 30.109 9.339 135 HE2 MET 18 HE2 MET 18 -36.626 30.754 10.317 136 HE3 MET 18 HE3 MET 18 -35.022 30.574 11.101 137 H LYS 19 H LYS 19 -39.258 34.547 5.708 138 HA LYS 19 HA LYS 19 -41.833 34.419 6.957 139 HB2 LYS 19 HB2 LYS 19 -40.784 35.555 4.264 140 HB3 LYS 19 HB3 LYS 19 -42.532 35.763 4.867 141 HG2 LYS 19 HG2 LYS 19 -41.237 36.651 7.152 142 HG3 LYS 19 HG3 LYS 19 -39.891 36.820 5.993 143 HD2 LYS 19 HD2 LYS 19 -42.599 38.068 5.561 144 HD3 LYS 19 HD3 LYS 19 -41.288 38.935 6.495 145 HE2 LYS 19 HE2 LYS 19 -41.465 38.109 3.509 146 HE3 LYS 19 HE3 LYS 19 -41.438 39.760 4.016 147 HZ1 LYS 19 HZ1 LYS 19 -39.418 39.173 3.239 148 HZ2 LYS 19 HZ2 LYS 19 -39.105 37.910 4.313 149 HZ3 LYS 19 HZ3 LYS 19 -39.176 39.453 4.915 150 H LEU 20 H LEU 20 -40.861 32.862 3.939 151 HA LEU 20 HA LEU 20 -43.441 31.616 3.560 152 HB2 LEU 20 HB2 LEU 20 -40.649 31.321 2.436 153 HB3 LEU 20 HB3 LEU 20 -41.820 30.066 2.103 154 HG LEU 20 HG LEU 20 -42.401 32.965 1.449 155 HD11 LEU 20 HD11 LEU 20 -41.215 30.762 -0.313 156 HD12 LEU 20 HD12 LEU 20 -40.391 32.250 0.222 157 HD13 LEU 20 HD13 LEU 20 -41.771 32.358 -0.872 158 HD21 LEU 20 HD21 LEU 20 -44.035 31.921 -0.100 159 HD22 LEU 20 HD22 LEU 20 -44.371 31.440 1.566 160 HD23 LEU 20 HD23 LEU 20 -43.558 30.307 0.462 161 H LEU 21 H LEU 21 -40.646 30.694 5.527 162 HA LEU 21 HA LEU 21 -41.556 28.010 6.073 163 HB2 LEU 21 HB2 LEU 21 -39.812 29.896 7.720 164 HB3 LEU 21 HB3 LEU 21 -40.161 28.248 8.175 165 HG LEU 21 HG LEU 21 -38.660 29.054 5.671 166 HD11 LEU 21 HD11 LEU 21 -37.123 29.491 7.336 167 HD12 LEU 21 HD12 LEU 21 -36.792 27.805 7.022 168 HD13 LEU 21 HD13 LEU 21 -37.765 28.278 8.429 169 HD21 LEU 21 HD21 LEU 21 -39.841 26.955 5.331 170 HD22 LEU 21 HD22 LEU 21 -39.241 26.310 6.837 171 HD23 LEU 21 HD23 LEU 21 -38.120 26.648 5.497 172 H GLY 22 H GLY 22 -42.229 31.123 7.855 173 HA2 GLY 22 HA2 GLY 22 -44.673 30.967 8.794 174 HA3 GLY 22 HA3 GLY 22 -44.029 29.553 9.677 175 H ILE 23 H ILE 23 -41.508 31.953 9.364 176 HA ILE 23 HA ILE 23 -42.313 33.117 12.008 177 HB ILE 23 HB ILE 23 -39.498 33.270 11.152 178 HG12 ILE 23 HG12 ILE 23 -39.257 31.563 12.814 179 HG13 ILE 23 HG13 ILE 23 -40.894 30.950 12.469 180 HG21 ILE 23 HG21 ILE 23 -41.158 33.089 13.763 181 HG22 ILE 23 HG22 ILE 23 -40.859 34.635 13.047 182 HG23 ILE 23 HG23 ILE 23 -39.366 33.658 13.397 183 HD11 ILE 23 HD11 ILE 23 -39.079 29.702 10.835 184 HD12 ILE 23 HD12 ILE 23 -38.627 31.471 10.563 185 HD13 ILE 23 HD13 ILE 23 -40.236 30.792 9.980 186 H SER 24 H SER 24 -43.146 35.026 11.913 187 HA SER 24 HA SER 24 -43.030 36.631 9.548 188 HB2 SER 24 HB2 SER 24 -43.965 37.511 12.300 189 HB3 SER 24 HB3 SER 24 -44.458 38.167 10.730 190 HG SER 24 HG SER 24 -45.428 36.124 10.298 191 H SER 25 H SER 25 -41.764 37.358 12.810 192 HA SER 25 HA SER 25 -39.494 38.661 11.445 193 HB2 SER 25 HB2 SER 25 -41.343 39.819 13.663 194 HB3 SER 25 HB3 SER 25 -39.786 40.698 12.959 195 HG SER 25 HG SER 25 -41.977 41.285 12.317 196 H ASP 26 H ASP 26 -40.564 37.384 14.591 197 HA ASP 26 HA ASP 26 -38.379 38.315 15.908 198 HB2 ASP 26 HB2 ASP 26 -40.114 37.535 17.236 199 HB3 ASP 26 HB3 ASP 26 -39.989 35.892 16.594 200 H VAL 27 H VAL 27 -38.126 35.141 14.128 201 HA VAL 27 HA VAL 27 -35.321 35.106 15.006 202 HB VAL 27 HB VAL 27 -36.722 33.038 14.603 203 HG11 VAL 27 HG11 VAL 27 -36.836 32.203 12.325 204 HG12 VAL 27 HG12 VAL 27 -35.969 33.649 11.742 205 HG13 VAL 27 HG13 VAL 27 -37.583 33.817 12.345 206 HG21 VAL 27 HG21 VAL 27 -34.045 33.186 13.148 207 HG22 VAL 27 HG22 VAL 27 -34.835 31.739 13.805 208 HG23 VAL 27 HG23 VAL 27 -34.247 33.002 14.904 209 H ILE 28 H ILE 28 -37.058 36.657 12.439 210 HA ILE 28 HA ILE 28 -34.958 36.437 10.403 211 HB ILE 28 HB ILE 28 -37.378 38.281 10.487 212 HG12 ILE 28 HG12 ILE 28 -36.867 35.492 9.400 213 HG13 ILE 28 HG13 ILE 28 -38.132 36.006 10.514 214 HG21 ILE 28 HG21 ILE 28 -35.537 37.523 8.167 215 HG22 ILE 28 HG22 ILE 28 -35.567 39.110 8.965 216 HG23 ILE 28 HG23 ILE 28 -36.970 38.574 8.072 217 HD11 ILE 28 HD11 ILE 28 -39.173 37.324 8.635 218 HD12 ILE 28 HD12 ILE 28 -39.129 35.568 8.385 219 HD13 ILE 28 HD13 ILE 28 -37.981 36.588 7.535 220 H GLU 29 H GLU 29 -36.053 38.986 12.510 221 HA GLU 29 HA GLU 29 -34.271 40.947 11.853 222 HB2 GLU 29 HB2 GLU 29 -34.830 42.143 13.810 223 HB3 GLU 29 HB3 GLU 29 -36.200 41.499 13.019 224 HG2 GLU 29 HG2 GLU 29 -36.291 39.650 15.014 225 HG3 GLU 29 HG3 GLU 29 -34.774 40.352 15.483 226 H LYS 30 H LYS 30 -33.943 38.143 13.901 227 HA LYS 30 HA LYS 30 -31.379 38.939 15.118 228 HB2 LYS 30 HB2 LYS 30 -32.847 36.279 15.157 229 HB3 LYS 30 HB3 LYS 30 -31.585 36.765 16.249 230 HG2 LYS 30 HG2 LYS 30 -34.289 38.076 15.986 231 HG3 LYS 30 HG3 LYS 30 -33.902 36.858 17.175 232 HD2 LYS 30 HD2 LYS 30 -32.263 38.589 18.134 233 HD3 LYS 30 HD3 LYS 30 -33.010 39.760 17.029 234 HE2 LYS 30 HE2 LYS 30 -34.391 38.111 19.205 235 HE3 LYS 30 HE3 LYS 30 -34.102 39.857 19.246 236 HZ1 LYS 30 HZ1 LYS 30 -36.431 38.992 18.565 237 HZ2 LYS 30 HZ2 LYS 30 -35.800 38.612 17.155 238 HZ3 LYS 30 HZ3 LYS 30 -35.753 40.212 17.658 239 H ALA 31 H ALA 31 -32.417 36.489 12.717 240 HA ALA 31 HA ALA 31 -29.850 35.537 12.125 241 HB1 ALA 31 HB1 ALA 31 -32.597 35.567 10.733 242 HB2 ALA 31 HB2 ALA 31 -31.764 34.242 11.437 243 HB3 ALA 31 HB3 ALA 31 -31.132 34.983 9.849 244 H ARG 32 H ARG 32 -31.587 38.149 10.615 245 HA ARG 32 HA ARG 32 -29.546 38.759 8.669 246 HB2 ARG 32 HB2 ARG 32 -30.823 40.566 8.032 247 HB3 ARG 32 HB3 ARG 32 -31.995 39.380 8.598 248 HG2 ARG 32 HG2 ARG 32 -32.023 40.626 10.812 249 HG3 ARG 32 HG3 ARG 32 -31.119 41.918 10.015 250 HD2 ARG 32 HD2 ARG 32 -33.846 40.835 9.196 251 HD3 ARG 32 HD3 ARG 32 -33.544 42.356 10.061 252 HE ARG 32 HE ARG 32 -32.035 42.338 7.638 253 HH11 ARG 32 HH11 ARG 32 -35.388 42.529 8.577 254 HH12 ARG 32 HH12 ARG 32 -35.845 43.453 7.174 255 HH21 ARG 32 HH21 ARG 32 -32.673 43.515 5.846 256 HH22 ARG 32 HH22 ARG 32 -34.332 43.972 5.649 257 H ASN 33 H ASN 33 -30.029 39.932 12.038 258 HA ASN 33 HA ASN 33 -27.883 41.897 11.678 259 HB2 ASN 33 HB2 ASN 33 -29.618 41.095 14.017 260 HB3 ASN 33 HB3 ASN 33 -28.174 42.085 14.239 261 HD21 ASN 33 HD21 ASN 33 -31.463 42.253 13.435 262 HD22 ASN 33 HD22 ASN 33 -31.388 43.980 13.010 263 H PHE 34 H PHE 34 -27.959 38.683 13.398 264 HA PHE 34 HA PHE 34 -24.957 38.912 13.349 265 HB2 PHE 34 HB2 PHE 34 -24.909 38.223 15.706 266 HB3 PHE 34 HB3 PHE 34 -25.690 39.778 15.442 267 HD1 PHE 34 HD1 PHE 34 -26.390 36.180 15.792 268 HD2 PHE 34 HD2 PHE 34 -27.923 40.140 16.410 269 HE1 PHE 34 HE1 PHE 34 -28.408 35.198 16.771 270 HE2 PHE 34 HE2 PHE 34 -29.896 39.169 17.578 271 HZ PHE 34 HZ PHE 34 -30.129 36.704 17.791 272 H LYS 35 H LYS 35 -27.415 36.809 12.606 273 HA LYS 35 HA LYS 35 -27.579 34.705 11.994 274 HB2 LYS 35 HB2 LYS 35 -24.558 34.556 11.920 275 HB3 LYS 35 HB3 LYS 35 -25.693 33.373 11.284 276 HG2 LYS 35 HG2 LYS 35 -25.224 34.493 9.368 277 HG3 LYS 35 HG3 LYS 35 -26.665 35.345 9.879 278 HD2 LYS 35 HD2 LYS 35 -25.022 37.120 10.891 279 HD3 LYS 35 HD3 LYS 35 -23.789 36.270 9.963 280 HE2 LYS 35 HE2 LYS 35 -24.554 38.071 8.571 281 HE3 LYS 35 HE3 LYS 35 -25.263 36.590 7.913 282 HZ1 LYS 35 HZ1 LYS 35 -27.024 38.129 7.988 283 HZ2 LYS 35 HZ2 LYS 35 -26.655 38.707 9.460 284 HZ3 LYS 35 HZ3 LYS 35 -27.298 37.202 9.293 285 H ILE 36 H ILE 36 -27.980 32.658 12.659 286 HA ILE 36 HA ILE 36 -28.076 32.563 15.617 287 HB ILE 36 HB ILE 36 -29.360 30.734 13.587 288 HG12 ILE 36 HG12 ILE 36 -30.238 32.912 13.168 289 HG13 ILE 36 HG13 ILE 36 -31.440 31.931 13.956 290 HG21 ILE 36 HG21 ILE 36 -29.276 29.629 15.734 291 HG22 ILE 36 HG22 ILE 36 -30.919 30.198 15.462 292 HG23 ILE 36 HG23 ILE 36 -29.853 31.094 16.568 293 HD11 ILE 36 HD11 ILE 36 -31.071 33.124 16.086 294 HD12 ILE 36 HD12 ILE 36 -31.469 34.235 14.773 295 HD13 ILE 36 HD13 ILE 36 -29.793 34.106 15.325 296 H VAL 37 H VAL 37 -27.395 30.739 16.927 297 HA VAL 37 HA VAL 37 -25.337 28.998 15.675 298 HB VAL 37 HB VAL 37 -23.750 29.251 17.331 299 HG11 VAL 37 HG11 VAL 37 -23.098 31.585 17.240 300 HG12 VAL 37 HG12 VAL 37 -24.752 32.088 16.849 301 HG13 VAL 37 HG13 VAL 37 -23.818 31.134 15.687 302 HG21 VAL 37 HG21 VAL 37 -25.119 29.326 19.351 303 HG22 VAL 37 HG22 VAL 37 -25.639 30.980 18.941 304 HG23 VAL 37 HG23 VAL 37 -23.943 30.647 19.327 305 H THR 38 H THR 38 -25.009 26.956 16.589 306 HA THR 38 HA THR 38 -27.334 26.004 18.181 307 HB THR 38 HB THR 38 -26.538 25.137 15.406 308 HG1 THR 38 HG1 THR 38 -28.837 25.502 15.139 309 HG21 THR 38 HG21 THR 38 -28.689 23.922 17.283 310 HG22 THR 38 HG22 THR 38 -27.156 23.053 16.706 311 HG23 THR 38 HG23 THR 38 -28.605 23.495 15.628 312 H GLU 39 H GLU 39 -27.250 24.186 19.346 313 HA GLU 39 HA GLU 39 -24.747 22.698 19.665 314 HB2 GLU 39 HB2 GLU 39 -26.830 23.699 21.627 315 HB3 GLU 39 HB3 GLU 39 -26.046 22.299 22.014 316 HG2 GLU 39 HG2 GLU 39 -23.764 23.377 21.565 317 HG3 GLU 39 HG3 GLU 39 -24.400 24.931 21.292 318 H VAL 40 H VAL 40 -24.816 20.643 19.492 319 HA VAL 40 HA VAL 40 -27.478 19.374 18.963 320 HB VAL 40 HB VAL 40 -24.796 18.822 17.664 321 HG11 VAL 40 HG11 VAL 40 -27.591 17.844 16.974 322 HG12 VAL 40 HG12 VAL 40 -26.283 16.866 17.682 323 HG13 VAL 40 HG13 VAL 40 -26.102 17.500 16.063 324 HG21 VAL 40 HG21 VAL 40 -25.541 19.929 15.728 325 HG22 VAL 40 HG22 VAL 40 -25.669 21.078 17.027 326 HG23 VAL 40 HG23 VAL 40 -27.147 20.293 16.451 327 H GLN 41 H GLN 41 -27.818 17.437 19.968 328 HA GLN 41 HA GLN 41 -25.383 15.808 20.570 329 HB2 GLN 41 HB2 GLN 41 -26.034 16.953 22.675 330 HB3 GLN 41 HB3 GLN 41 -27.648 16.310 22.714 331 HG2 GLN 41 HG2 GLN 41 -26.420 15.124 24.157 332 HG3 GLN 41 HG3 GLN 41 -26.725 13.936 22.876 333 HE21 GLN 41 HE21 GLN 41 -24.253 15.771 24.269 334 HE22 GLN 41 HE22 GLN 41 -22.878 15.120 23.385 335 H GLN 42 H GLN 42 -25.698 13.712 19.976 336 HA GLN 42 HA GLN 42 -28.469 12.827 19.341 337 HB2 GLN 42 HB2 GLN 42 -26.200 13.036 17.331 338 HB3 GLN 42 HB3 GLN 42 -27.673 12.096 17.066 339 HG2 GLN 42 HG2 GLN 42 -29.044 14.098 17.139 340 HG3 GLN 42 HG3 GLN 42 -27.667 15.095 17.581 341 HE21 GLN 42 HE21 GLN 42 -28.664 16.235 15.568 342 HE22 GLN 42 HE22 GLN 42 -27.924 15.793 14.054 343 H ASP 43 H ASP 43 -28.772 10.700 19.589 344 HA ASP 43 HA ASP 43 -26.452 8.897 19.364 345 HB2 ASP 43 HB2 ASP 43 -26.538 9.290 21.760 346 HB3 ASP 43 HB3 ASP 43 -28.242 8.795 21.797 347 H GLY 44 H GLY 44 -26.908 7.211 18.180 348 HA2 GLY 44 HA2 GLY 44 -28.067 6.054 16.501 349 HA3 GLY 44 HA3 GLY 44 -29.087 5.680 17.893 350 H GLN 45 H GLN 45 -31.094 6.071 17.641 351 HA GLN 45 HA GLN 45 -32.262 7.612 15.365 352 HB2 GLN 45 HB2 GLN 45 -32.834 5.014 16.265 353 HB3 GLN 45 HB3 GLN 45 -33.801 5.895 17.386 354 HG2 GLN 45 HG2 GLN 45 -35.025 7.009 15.307 355 HG3 GLN 45 HG3 GLN 45 -34.083 5.908 14.357 356 HE21 GLN 45 HE21 GLN 45 -36.835 5.842 14.283 357 HE22 GLN 45 HE22 GLN 45 -37.298 4.203 14.849 358 H ASP 46 H ASP 46 -31.369 8.398 18.565 359 HA ASP 46 HA ASP 46 -33.695 10.196 18.868 360 HB2 ASP 46 HB2 ASP 46 -31.958 8.968 20.962 361 HB3 ASP 46 HB3 ASP 46 -32.798 10.486 21.244 362 H PHE 47 H PHE 47 -33.591 12.297 18.947 363 HA PHE 47 HA PHE 47 -30.978 13.575 18.462 364 HB2 PHE 47 HB2 PHE 47 -33.559 13.925 16.848 365 HB3 PHE 47 HB3 PHE 47 -32.214 15.115 16.802 366 HD1 PHE 47 HD2 PHE 47 -32.786 11.410 16.505 367 HD2 PHE 47 HD1 PHE 47 -30.544 14.732 15.132 368 HE1 PHE 47 HE2 PHE 47 -31.323 9.899 14.804 369 HE2 PHE 47 HE1 PHE 47 -29.217 13.236 13.609 370 HZ PHE 47 HZ PHE 47 -29.601 10.990 13.483 371 H THR 48 H THR 48 -30.573 15.586 18.812 372 HA THR 48 HA THR 48 -32.738 17.270 19.751 373 HB THR 48 HB THR 48 -30.092 17.121 21.287 374 HG1 THR 48 HG1 THR 48 -31.041 15.663 22.219 375 HG21 THR 48 HG21 THR 48 -31.286 18.592 22.895 376 HG22 THR 48 HG22 THR 48 -32.783 18.687 21.923 377 HG23 THR 48 HG23 THR 48 -31.196 19.534 21.432 378 H TRP 49 H TRP 49 -32.527 19.119 18.709 379 HA TRP 49 HA TRP 49 -29.806 20.202 18.085 380 HB2 TRP 49 HB2 TRP 49 -30.668 19.564 16.013 381 HB3 TRP 49 HB3 TRP 49 -32.311 19.955 16.440 382 HD1 TRP 49 HD1 TRP 49 -31.969 23.054 17.121 383 HE1 TRP 49 HE1 TRP 49 -32.194 24.532 15.105 384 HE3 TRP 49 HE3 TRP 49 -30.676 19.754 13.425 385 HZ2 TRP 49 HZ2 TRP 49 -31.870 24.447 12.332 386 HZ3 TRP 49 HZ3 TRP 49 -30.896 20.468 11.051 387 HH2 TRP 49 HH2 TRP 49 -31.503 22.791 10.477 388 H SER 50 H SER 50 -29.451 22.168 19.253 389 HA SER 50 HA SER 50 -31.890 23.596 20.068 390 HB2 SER 50 HB2 SER 50 -29.292 23.155 21.818 391 HB3 SER 50 HB3 SER 50 -30.486 24.326 22.273 392 HG SER 50 HG SER 50 -30.584 22.223 23.226 393 H GLN 51 H GLN 51 -31.960 25.385 19.244 394 HA GLN 51 HA GLN 51 -29.588 26.770 18.363 395 HB2 GLN 51 HB2 GLN 51 -32.471 27.925 18.150 396 HB3 GLN 51 HB3 GLN 51 -31.013 28.512 17.371 397 HG2 GLN 51 HG2 GLN 51 -32.089 27.450 15.722 398 HG3 GLN 51 HG3 GLN 51 -30.986 26.124 16.230 399 HE21 GLN 51 HE21 GLN 51 -33.913 26.195 14.840 400 HE22 GLN 51 HE22 GLN 51 -34.646 24.910 15.705 401 H HIS 52 H HIS 52 -28.955 28.739 18.787 402 HA HIS 52 HA HIS 52 -30.113 30.157 21.139 403 HB2 HIS 52 HB2 HIS 52 -27.144 29.715 20.640 404 HB3 HIS 52 HB3 HIS 52 -27.863 30.541 22.013 405 HD1 HIS 52 HD1 HIS 52 -29.632 28.575 23.475 406 HD2 HIS 52 HD2 HIS 52 -26.095 27.513 21.416 407 HE1 HIS 52 HE1 HIS 52 -28.717 26.433 24.593 408 H TYR 53 H TYR 53 -30.727 32.079 20.412 409 HA TYR 53 HA TYR 53 -29.939 33.394 18.034 410 HB2 TYR 53 HB2 TYR 53 -31.330 34.294 20.558 411 HB3 TYR 53 HB3 TYR 53 -31.052 35.371 19.224 412 HD1 TYR 53 HD1 TYR 53 -32.054 31.978 18.151 413 HD2 TYR 53 HD2 TYR 53 -33.395 35.884 19.423 414 HE1 TYR 53 HE1 TYR 53 -34.339 31.520 17.265 415 HE2 TYR 53 HE2 TYR 53 -35.664 35.393 18.549 416 HH TYR 53 HH TYR 53 -37.033 33.870 17.623 417 H SER 54 H SER 54 -27.458 33.234 18.304 418 HA SER 54 HA SER 54 -25.391 33.862 18.907 419 HB2 SER 54 HB2 SER 54 -24.740 36.105 19.398 420 HB3 SER 54 HB3 SER 54 -25.897 36.113 18.086 421 HG SER 54 HG SER 54 -27.509 36.549 19.807 422 H GLY 55 H GLY 55 -27.430 32.974 20.961 423 HA2 GLY 55 HA2 GLY 55 -26.949 32.317 23.420 424 HA3 GLY 55 HA3 GLY 55 -25.871 33.721 23.405 425 H GLY 56 H GLY 56 -28.722 34.947 21.995 426 HA2 GLY 56 HA2 GLY 56 -29.168 36.165 24.533 427 HA3 GLY 56 HA3 GLY 56 -29.950 36.603 22.894 428 H HIS 57 H HIS 57 -30.589 33.558 22.710 429 HA HIS 57 HA HIS 57 -32.912 33.372 24.478 430 HB2 HIS 57 HB2 HIS 57 -33.611 35.183 22.721 431 HB3 HIS 57 HB3 HIS 57 -33.492 34.076 21.449 432 HD1 HIS 57 HD1 HIS 57 -35.101 31.624 22.463 433 HD2 HIS 57 HD2 HIS 57 -36.187 35.449 23.657 434 HE1 HIS 57 HE1 HIS 57 -37.441 31.465 23.238 435 H THR 58 H THR 58 -33.210 31.176 24.613 436 HA THR 58 HA THR 58 -31.899 29.466 22.557 437 HB THR 58 HB THR 58 -33.004 28.941 25.320 438 HG1 THR 58 HG1 THR 58 -30.935 28.918 25.806 439 HG21 THR 58 HG21 THR 58 -31.962 26.677 25.153 440 HG22 THR 58 HG22 THR 58 -31.764 26.920 23.403 441 HG23 THR 58 HG23 THR 58 -33.384 26.849 24.123 442 H MET 59 H MET 59 -32.932 27.799 21.512 443 HA MET 59 HA MET 59 -35.807 27.400 21.658 444 HB2 MET 59 HB2 MET 59 -34.365 27.832 19.012 445 HB3 MET 59 HB3 MET 59 -35.958 27.185 19.199 446 HG2 MET 59 HG2 MET 59 -36.392 29.297 20.728 447 HG3 MET 59 HG3 MET 59 -35.045 29.990 19.822 448 HE1 MET 59 HE1 MET 59 -36.041 29.955 16.232 449 HE2 MET 59 HE2 MET 59 -36.162 28.140 16.535 450 HE3 MET 59 HE3 MET 59 -34.845 29.171 17.304 451 H THR 60 H THR 60 -36.244 25.164 20.705 452 HA THR 60 HA THR 60 -33.999 23.352 20.948 453 HB THR 60 HB THR 60 -35.093 22.021 22.703 454 HG1 THR 60 HG1 THR 60 -37.127 22.959 22.849 455 HG21 THR 60 HG21 THR 60 -34.281 23.196 24.578 456 HG22 THR 60 HG22 THR 60 -34.234 24.695 23.698 457 HG23 THR 60 HG23 THR 60 -33.238 23.210 23.066 458 H ASN 61 H ASN 61 -34.162 21.969 19.409 459 HA ASN 61 HA ASN 61 -36.840 21.045 18.466 460 HB2 ASN 61 HB2 ASN 61 -34.308 21.597 16.882 461 HB3 ASN 61 HB3 ASN 61 -35.756 20.842 16.244 462 HD21 ASN 61 HD21 ASN 61 -37.049 23.225 18.237 463 HD22 ASN 61 HD22 ASN 61 -37.133 24.446 16.960 464 H LYS 62 H LYS 62 -36.889 19.295 19.944 465 HA LYS 62 HA LYS 62 -34.860 17.144 19.362 466 HB2 LYS 62 HB2 LYS 62 -35.533 16.160 21.584 467 HB3 LYS 62 HB3 LYS 62 -34.419 17.489 21.542 468 HG2 LYS 62 HG2 LYS 62 -36.242 19.076 22.187 469 HG3 LYS 62 HG3 LYS 62 -37.366 17.699 22.280 470 HD2 LYS 62 HD2 LYS 62 -35.918 16.654 24.003 471 HD3 LYS 62 HD3 LYS 62 -34.763 17.994 23.855 472 HE2 LYS 62 HE2 LYS 62 -36.527 19.591 24.568 473 HE3 LYS 62 HE3 LYS 62 -37.666 18.250 24.754 474 HZ1 LYS 62 HZ1 LYS 62 -35.125 18.554 26.260 475 HZ2 LYS 62 HZ2 LYS 62 -36.174 17.310 26.432 476 HZ3 LYS 62 HZ3 LYS 62 -36.627 18.824 26.874 477 H PHE 63 H PHE 63 -35.481 15.114 18.848 478 HA PHE 63 HA PHE 63 -38.299 14.430 18.486 479 HB2 PHE 63 HB2 PHE 63 -38.343 14.705 16.092 480 HB3 PHE 63 HB3 PHE 63 -37.807 16.245 16.728 481 HD1 PHE 63 HD1 PHE 63 -35.318 16.856 16.607 482 HD2 PHE 63 HD2 PHE 63 -36.984 13.424 14.614 483 HE1 PHE 63 HE1 PHE 63 -33.233 16.585 15.298 484 HE2 PHE 63 HE2 PHE 63 -34.868 13.110 13.359 485 HZ PHE 63 HZ PHE 63 -32.985 14.679 13.716 486 H THR 64 H THR 64 -38.353 12.402 17.031 487 HA THR 64 HA THR 64 -35.912 10.838 17.175 488 HB THR 64 HB THR 64 -38.792 9.982 17.189 489 HG1 THR 64 HG1 THR 64 -38.388 10.540 19.182 490 HG21 THR 64 HG21 THR 64 -36.165 8.478 17.748 491 HG22 THR 64 HG22 THR 64 -37.155 8.217 16.092 492 HG23 THR 64 HG23 THR 64 -37.629 7.647 17.746 493 H VAL 65 H VAL 65 -35.139 10.009 15.324 494 HA VAL 65 HA VAL 65 -36.267 11.035 12.831 495 HB VAL 65 HB VAL 65 -33.853 10.901 13.039 496 HG11 VAL 65 HG11 VAL 65 -33.670 8.831 14.369 497 HG12 VAL 65 HG12 VAL 65 -32.636 8.796 12.934 498 HG13 VAL 65 HG13 VAL 65 -34.151 7.869 12.955 499 HG21 VAL 65 HG21 VAL 65 -34.883 8.993 10.891 500 HG22 VAL 65 HG22 VAL 65 -33.372 9.900 10.871 501 HG23 VAL 65 HG23 VAL 65 -34.916 10.763 10.794 502 H GLY 66 H GLY 66 -37.360 9.762 11.156 503 HA2 GLY 66 HA2 GLY 66 -38.618 8.029 10.339 504 HA3 GLY 66 HA3 GLY 66 -37.839 6.945 11.488 505 H LYS 67 H LYS 67 -39.360 9.521 12.935 506 HA LYS 67 HA LYS 67 -41.976 8.238 13.517 507 HB2 LYS 67 HB2 LYS 67 -40.261 8.007 15.375 508 HB3 LYS 67 HB3 LYS 67 -40.367 9.808 15.504 509 HG2 LYS 67 HG2 LYS 67 -42.648 9.756 16.218 510 HG3 LYS 67 HG3 LYS 67 -42.718 7.952 16.006 511 HD2 LYS 67 HD2 LYS 67 -41.003 9.641 17.880 512 HD3 LYS 67 HD3 LYS 67 -42.541 8.793 18.350 513 HE2 LYS 67 HE2 LYS 67 -39.897 7.473 17.682 514 HE3 LYS 67 HE3 LYS 67 -40.656 7.625 19.291 515 HZ1 LYS 67 HZ1 LYS 67 -42.390 6.188 18.540 516 HZ2 LYS 67 HZ2 LYS 67 -40.925 5.487 18.337 517 HZ3 LYS 67 HZ3 LYS 67 -41.613 6.043 16.945 518 H GLU 68 H GLU 68 -43.574 9.881 14.244 519 HA GLU 68 HA GLU 68 -43.388 12.421 12.699 520 HB2 GLU 68 HB2 GLU 68 -45.061 11.169 11.671 521 HB3 GLU 68 HB3 GLU 68 -45.679 10.526 13.184 522 HG2 GLU 68 HG2 GLU 68 -46.730 12.584 13.757 523 HG3 GLU 68 HG3 GLU 68 -45.953 13.433 12.393 524 H SER 69 H SER 69 -44.595 14.301 13.596 525 HA SER 69 HA SER 69 -45.466 15.666 15.004 526 HB2 SER 69 HB2 SER 69 -47.244 14.972 16.618 527 HB3 SER 69 HB3 SER 69 -47.201 14.117 15.041 528 HG SER 69 HG SER 69 -47.613 12.812 16.790 529 H ASN 70 H ASN 70 -42.714 14.542 15.783 530 HA ASN 70 HA ASN 70 -42.594 15.789 18.497 531 HB2 ASN 70 HB2 ASN 70 -41.944 13.256 17.844 532 HB3 ASN 70 HB3 ASN 70 -40.419 14.016 17.387 533 HD21 ASN 70 HD21 ASN 70 -39.985 15.899 19.440 534 HD22 ASN 70 HD22 ASN 70 -39.965 14.992 20.949 535 H ILE 71 H ILE 71 -42.276 16.870 15.474 536 HA ILE 71 HA ILE 71 -39.490 17.903 15.550 537 HB ILE 71 HB ILE 71 -41.660 18.259 13.457 538 HG12 ILE 71 HG12 ILE 71 -39.200 16.493 13.172 539 HG13 ILE 71 HG13 ILE 71 -40.751 15.858 13.715 540 HG21 ILE 71 HG21 ILE 71 -38.717 19.039 13.539 541 HG22 ILE 71 HG22 ILE 71 -40.111 20.119 13.364 542 HG23 ILE 71 HG23 ILE 71 -39.685 19.037 12.053 543 HD11 ILE 71 HD11 ILE 71 -40.543 15.515 11.332 544 HD12 ILE 71 HD12 ILE 71 -40.309 17.234 11.044 545 HD13 ILE 71 HD13 ILE 71 -41.863 16.648 11.667 546 H GLN 72 H GLN 72 -39.061 19.964 16.167 547 HA GLN 72 HA GLN 72 -41.304 21.875 16.354 548 HB2 GLN 72 HB2 GLN 72 -38.717 21.652 17.959 549 HB3 GLN 72 HB3 GLN 72 -39.768 23.145 18.102 550 HG2 GLN 72 HG2 GLN 72 -41.816 21.419 18.717 551 HG3 GLN 72 HG3 GLN 72 -40.356 20.352 18.983 552 HE21 GLN 72 HE21 GLN 72 -41.735 23.548 19.832 553 HE22 GLN 72 HE22 GLN 72 -41.203 23.419 21.519 554 H THR 73 H THR 73 -40.535 24.130 15.549 555 HA THR 73 HA THR 73 -38.491 23.738 13.507 556 HB THR 73 HB THR 73 -39.625 25.772 12.606 557 HG1 THR 73 HG1 THR 73 -41.206 26.627 13.679 558 HG21 THR 73 HG21 THR 73 -40.221 23.640 11.723 559 HG22 THR 73 HG22 THR 73 -41.751 24.449 12.066 560 HG23 THR 73 HG23 THR 73 -41.171 23.191 13.143 561 H MET 74 H MET 74 -37.519 25.745 12.580 562 HA MET 74 HA MET 74 -35.769 27.242 14.295 563 HB2 MET 74 HB2 MET 74 -36.604 27.436 11.394 564 HB3 MET 74 HB3 MET 74 -35.520 28.617 12.115 565 HG2 MET 74 HG2 MET 74 -33.791 27.064 12.488 566 HG3 MET 74 HG3 MET 74 -34.846 25.674 12.209 567 HE1 MET 74 HE1 MET 74 -32.842 25.218 8.917 568 HE2 MET 74 HE2 MET 74 -33.491 24.455 10.379 569 HE3 MET 74 HE3 MET 74 -32.137 25.606 10.493 570 H GLY 75 H GLY 75 -39.084 27.600 14.197 571 HA2 GLY 75 HA2 GLY 75 -38.652 30.263 15.402 572 HA3 GLY 75 HA3 GLY 75 -40.130 29.686 14.508 573 H GLY 76 H GLY 76 -39.180 26.916 16.209 574 HA2 GLY 76 HA2 GLY 76 -39.819 26.037 17.969 575 HA3 GLY 76 HA3 GLY 76 -40.347 27.490 18.708 576 H LYS 77 H LYS 77 -41.926 26.647 15.623 577 HA LYS 77 HA LYS 77 -44.342 25.938 17.086 578 HB2 LYS 77 HB2 LYS 77 -43.646 26.219 14.158 579 HB3 LYS 77 HB3 LYS 77 -45.120 25.386 14.727 580 HG2 LYS 77 HG2 LYS 77 -46.017 27.283 15.802 581 HG3 LYS 77 HG3 LYS 77 -44.534 28.236 15.272 582 HD2 LYS 77 HD2 LYS 77 -45.379 27.520 12.880 583 HD3 LYS 77 HD3 LYS 77 -46.796 26.817 13.542 584 HE2 LYS 77 HE2 LYS 77 -47.286 28.951 12.616 585 HE3 LYS 77 HE3 LYS 77 -47.493 29.217 14.404 586 HZ1 LYS 77 HZ1 LYS 77 -44.838 29.810 13.111 587 HZ2 LYS 77 HZ2 LYS 77 -45.528 30.377 14.480 588 HZ3 LYS 77 HZ3 LYS 77 -46.040 30.843 12.887 589 H THR 78 H THR 78 -45.135 23.949 17.268 590 HA THR 78 HA THR 78 -43.346 21.710 16.509 591 HB THR 78 HB THR 78 -45.892 21.481 18.102 592 HG1 THR 78 HG1 THR 78 -44.910 22.559 19.545 593 HG21 THR 78 HG21 THR 78 -44.991 19.337 17.329 594 HG22 THR 78 HG22 THR 78 -44.740 19.513 19.071 595 HG23 THR 78 HG23 THR 78 -43.382 19.757 17.956 596 H PHE 79 H PHE 79 -43.777 20.306 14.735 597 HA PHE 79 HA PHE 79 -46.582 20.105 13.921 598 HB2 PHE 79 HB2 PHE 79 -46.249 20.587 11.536 599 HB3 PHE 79 HB3 PHE 79 -46.170 21.941 12.629 600 HD1 PHE 79 HD1 PHE 79 -43.024 20.011 12.473 601 HD2 PHE 79 HD2 PHE 79 -45.377 23.112 10.597 602 HE1 PHE 79 HE1 PHE 79 -41.086 20.665 11.088 603 HE2 PHE 79 HE2 PHE 79 -43.426 23.745 9.217 604 HZ PHE 79 HZ PHE 79 -41.297 22.501 9.428 605 H LYS 80 H LYS 80 -47.015 18.605 11.973 606 HA LYS 80 HA LYS 80 -45.496 16.118 12.688 607 HB2 LYS 80 HB2 LYS 80 -48.134 16.431 11.214 608 HB3 LYS 80 HB3 LYS 80 -47.381 14.925 11.697 609 HG2 LYS 80 HG2 LYS 80 -48.541 15.021 13.601 610 HG3 LYS 80 HG3 LYS 80 -47.494 16.337 14.112 611 HD2 LYS 80 HD2 LYS 80 -49.789 17.000 14.429 612 HD3 LYS 80 HD3 LYS 80 -49.089 17.980 13.147 613 HE2 LYS 80 HE2 LYS 80 -51.389 17.272 12.605 614 HE3 LYS 80 HE3 LYS 80 -50.223 16.672 11.427 615 HZ1 LYS 80 HZ1 LYS 80 -51.815 14.954 12.074 616 HZ2 LYS 80 HZ2 LYS 80 -51.346 15.042 13.642 617 HZ3 LYS 80 HZ3 LYS 80 -50.304 14.498 12.494 618 H ALA 81 H ALA 81 -43.814 15.577 11.410 619 HA ALA 81 HA ALA 81 -44.695 14.613 8.881 620 HB1 ALA 81 HB1 ALA 81 -43.856 16.663 7.936 621 HB2 ALA 81 HB2 ALA 81 -42.714 15.392 7.542 622 HB3 ALA 81 HB3 ALA 81 -42.321 16.534 8.846 623 H THR 82 H THR 82 -42.897 13.059 7.967 624 HA THR 82 HA THR 82 -41.816 11.487 10.198 625 HB THR 82 HB THR 82 -42.099 10.852 7.254 626 HG1 THR 82 HG1 THR 82 -43.997 10.811 8.449 627 HG21 THR 82 HG21 THR 82 -41.576 8.589 8.076 628 HG22 THR 82 HG22 THR 82 -41.159 9.238 9.664 629 HG23 THR 82 HG23 THR 82 -40.131 9.586 8.204 630 H VAL 83 H VAL 83 -39.757 11.965 10.686 631 HA VAL 83 HA VAL 83 -38.069 13.347 8.753 632 HB VAL 83 HB VAL 83 -37.076 12.107 11.307 633 HG11 VAL 83 HG11 VAL 83 -35.476 14.011 11.125 634 HG12 VAL 83 HG12 VAL 83 -36.276 14.473 9.595 635 HG13 VAL 83 HG13 VAL 83 -35.404 12.942 9.712 636 HG21 VAL 83 HG21 VAL 83 -38.437 14.790 10.997 637 HG22 VAL 83 HG22 VAL 83 -37.509 14.269 12.419 638 HG23 VAL 83 HG23 VAL 83 -38.999 13.431 12.002 639 H GLN 84 H GLN 84 -36.970 12.422 7.126 640 HA GLN 84 HA GLN 84 -36.367 9.506 7.289 641 HB2 GLN 84 HB2 GLN 84 -36.185 11.336 4.881 642 HB3 GLN 84 HB3 GLN 84 -36.029 9.574 4.924 643 HG2 GLN 84 HG2 GLN 84 -38.434 9.528 5.844 644 HG3 GLN 84 HG3 GLN 84 -38.518 11.250 5.430 645 HE21 GLN 84 HE21 GLN 84 -36.983 11.082 2.899 646 HE22 GLN 84 HE22 GLN 84 -37.997 10.127 1.838 647 H MET 85 H MET 85 -34.350 8.726 7.223 648 HA MET 85 HA MET 85 -32.010 10.563 7.203 649 HB2 MET 85 HB2 MET 85 -32.630 8.612 9.051 650 HB3 MET 85 HB3 MET 85 -31.545 7.656 8.166 651 HG2 MET 85 HG2 MET 85 -29.860 9.874 8.555 652 HG3 MET 85 HG3 MET 85 -31.227 10.307 9.581 653 HE1 MET 85 HE1 MET 85 -28.318 9.272 11.966 654 HE2 MET 85 HE2 MET 85 -29.227 10.574 11.113 655 HE3 MET 85 HE3 MET 85 -27.821 9.528 10.376 656 H GLU 86 H GLU 86 -30.948 10.642 5.489 657 HA GLU 86 HA GLU 86 -31.277 8.368 3.584 658 HB2 GLU 86 HB2 GLU 86 -31.444 11.387 3.323 659 HB3 GLU 86 HB3 GLU 86 -30.896 10.525 1.866 660 HG2 GLU 86 HG2 GLU 86 -33.520 9.676 3.357 661 HG3 GLU 86 HG3 GLU 86 -33.447 10.955 2.237 662 H GLY 87 H GLY 87 -28.995 7.793 4.726 663 HA2 GLY 87 HA2 GLY 87 -26.838 7.412 4.177 664 HA3 GLY 87 HA3 GLY 87 -27.002 8.680 2.890 665 H GLY 88 H GLY 88 -27.566 8.893 6.129 666 HA2 GLY 88 HA2 GLY 88 -26.811 10.396 7.896 667 HA3 GLY 88 HA3 GLY 88 -25.272 10.394 7.056 668 H LYS 89 H LYS 89 -28.440 11.525 5.996 669 HA LYS 89 HA LYS 89 -28.020 14.197 6.929 670 HB2 LYS 89 HB2 LYS 89 -28.618 15.295 4.776 671 HB3 LYS 89 HB3 LYS 89 -27.210 14.260 4.670 672 HG2 LYS 89 HG2 LYS 89 -28.378 12.438 3.657 673 HG3 LYS 89 HG3 LYS 89 -29.871 13.575 3.550 674 HD2 LYS 89 HD2 LYS 89 -28.406 15.104 2.154 675 HD3 LYS 89 HD3 LYS 89 -27.119 13.840 2.059 676 HE2 LYS 89 HE2 LYS 89 -30.040 13.456 1.207 677 HE3 LYS 89 HE3 LYS 89 -28.615 14.010 0.060 678 HZ1 LYS 89 HZ1 LYS 89 -27.677 12.035 0.199 679 HZ2 LYS 89 HZ2 LYS 89 -29.325 11.581 -0.083 680 HZ3 LYS 89 HZ3 LYS 89 -28.716 11.362 1.404 681 H LEU 90 H LEU 90 -30.119 15.352 7.104 682 HA LEU 90 HA LEU 90 -32.351 13.337 7.126 683 HB2 LEU 90 HB2 LEU 90 -31.461 15.210 9.280 684 HB3 LEU 90 HB3 LEU 90 -33.023 14.366 9.272 685 HG LEU 90 HG LEU 90 -31.166 12.327 8.912 686 HD11 LEU 90 HD11 LEU 90 -30.054 14.328 10.937 687 HD12 LEU 90 HD12 LEU 90 -29.455 12.683 10.672 688 HD13 LEU 90 HD13 LEU 90 -29.289 13.905 9.396 689 HD21 LEU 90 HD21 LEU 90 -32.300 13.447 11.518 690 HD22 LEU 90 HD22 LEU 90 -31.652 11.810 11.305 691 HD23 LEU 90 HD23 LEU 90 -33.108 12.306 10.422 692 H VAL 91 H VAL 91 -34.375 13.885 6.757 693 HA VAL 91 HA VAL 91 -34.934 16.511 5.439 694 HB VAL 91 HB VAL 91 -34.074 15.541 3.620 695 HG11 VAL 91 HG11 VAL 91 -34.653 12.764 4.610 696 HG12 VAL 91 HG12 VAL 91 -33.084 13.560 4.446 697 HG13 VAL 91 HG13 VAL 91 -33.992 13.136 3.004 698 HG21 VAL 91 HG21 VAL 91 -36.459 15.774 3.045 699 HG22 VAL 91 HG22 VAL 91 -36.718 14.061 3.470 700 HG23 VAL 91 HG23 VAL 91 -35.653 14.498 2.124 701 H VAL 92 H VAL 92 -37.066 16.908 5.080 702 HA VAL 92 HA VAL 92 -39.178 15.045 6.004 703 HB VAL 92 HB VAL 92 -40.389 16.972 7.054 704 HG11 VAL 92 HG11 VAL 92 -39.304 15.320 8.451 705 HG12 VAL 92 HG12 VAL 92 -39.128 16.930 9.175 706 HG13 VAL 92 HG13 VAL 92 -37.756 16.182 8.338 707 HG21 VAL 92 HG21 VAL 92 -39.192 18.951 7.813 708 HG22 VAL 92 HG22 VAL 92 -39.084 18.863 6.045 709 HG23 VAL 92 HG23 VAL 92 -37.702 18.396 7.066 710 H ASN 93 H ASN 93 -41.402 15.915 5.163 711 HA ASN 93 HA ASN 93 -41.274 17.311 2.613 712 HB2 ASN 93 HB2 ASN 93 -42.145 14.492 3.277 713 HB3 ASN 93 HB3 ASN 93 -42.763 15.344 1.844 714 HD21 ASN 93 HD21 ASN 93 -40.457 13.020 2.446 715 HD22 ASN 93 HD22 ASN 93 -39.535 13.384 1.017 716 H PHE 94 H PHE 94 -42.965 18.646 2.600 717 HA PHE 94 HA PHE 94 -45.488 18.012 4.001 718 HB2 PHE 94 HB2 PHE 94 -43.980 20.651 4.162 719 HB3 PHE 94 HB3 PHE 94 -45.647 20.439 4.637 720 HD1 PHE 94 HD1 PHE 94 -42.128 19.652 5.524 721 HD2 PHE 94 HD2 PHE 94 -46.254 19.514 6.765 722 HE1 PHE 94 HE1 PHE 94 -41.425 19.291 7.891 723 HE2 PHE 94 HE2 PHE 94 -45.541 19.161 9.107 724 HZ PHE 94 HZ PHE 94 -43.125 19.025 9.671 725 HA PRO 95 HA PRO 95 -46.945 19.349 0.112 726 HB2 PRO 95 HB2 PRO 95 -48.862 21.103 1.739 727 HB3 PRO 95 HB3 PRO 95 -49.429 20.101 0.276 728 HG2 PRO 95 HG2 PRO 95 -49.947 19.257 2.757 729 HG3 PRO 95 HG3 PRO 95 -49.245 18.100 1.625 730 HD2 PRO 95 HD2 PRO 95 -47.836 19.318 3.930 731 HD3 PRO 95 HD3 PRO 95 -47.447 17.764 3.040 732 H ASN 96 H ASN 96 -46.270 21.944 2.393 733 HA ASN 96 HA ASN 96 -45.535 23.629 0.051 734 HB2 ASN 96 HB2 ASN 96 -47.035 24.508 1.920 735 HB3 ASN 96 HB3 ASN 96 -45.611 24.461 2.976 736 HD21 ASN 96 HD21 ASN 96 -45.261 26.759 3.210 737 HD22 ASN 96 HD22 ASN 96 -45.107 27.783 1.802 738 H TYR 97 H TYR 97 -43.870 21.473 2.194 739 HA TYR 97 HA TYR 97 -41.482 23.121 1.927 740 HB2 TYR 97 HB2 TYR 97 -42.650 24.001 3.863 741 HB3 TYR 97 HB3 TYR 97 -42.417 22.430 4.671 742 HD1 TYR 97 HD1 TYR 97 -40.509 25.087 2.820 743 HD2 TYR 97 HD2 TYR 97 -40.412 22.004 5.808 744 HE1 TYR 97 HE1 TYR 97 -38.189 25.734 3.412 745 HE2 TYR 97 HE2 TYR 97 -38.091 22.650 6.400 746 HH TYR 97 HH TYR 97 -36.736 25.229 5.983 747 H HIS 98 H HIS 98 -39.479 22.232 2.201 748 HA HIS 98 HA HIS 98 -39.237 19.350 2.793 749 HB2 HIS 98 HB2 HIS 98 -39.790 19.362 0.426 750 HB3 HIS 98 HB3 HIS 98 -38.648 20.661 0.110 751 HD1 HIS 98 HD1 HIS 98 -38.706 16.879 0.802 752 HD2 HIS 98 HD2 HIS 98 -36.050 20.043 -0.154 753 HE1 HIS 98 HE1 HIS 98 -36.409 15.799 0.271 754 H GLN 99 H GLN 99 -37.094 18.758 3.361 755 HA GLN 99 HA GLN 99 -35.130 20.941 3.701 756 HB2 GLN 99 HB2 GLN 99 -36.432 20.411 5.718 757 HB3 GLN 99 HB3 GLN 99 -36.063 18.697 5.603 758 HG2 GLN 99 HG2 GLN 99 -34.519 19.803 7.377 759 HG3 GLN 99 HG3 GLN 99 -33.551 19.101 6.052 760 HE21 GLN 99 HE21 GLN 99 -34.952 22.520 7.010 761 HE22 GLN 99 HE22 GLN 99 -33.342 23.044 6.694 762 H THR 100 H THR 100 -32.778 19.926 3.876 763 HA THR 100 HA THR 100 -32.424 17.088 4.075 764 HB THR 100 HB THR 100 -31.983 18.353 1.345 765 HG1 THR 100 HG1 THR 100 -33.777 17.038 1.993 766 HG21 THR 100 HG21 THR 100 -30.641 16.338 0.725 767 HG22 THR 100 HG22 THR 100 -30.595 15.874 2.445 768 HG23 THR 100 HG23 THR 100 -29.786 17.360 1.883 769 H SER 101 H SER 101 -30.786 17.344 5.595 770 HA SER 101 HA SER 101 -28.674 19.380 4.986 771 HB2 SER 101 HB2 SER 101 -28.860 20.412 7.059 772 HB3 SER 101 HB3 SER 101 -30.449 20.424 6.307 773 HG SER 101 HG SER 101 -30.388 19.920 8.541 774 H GLU 102 H GLU 102 -26.564 19.191 5.816 775 HA GLU 102 HA GLU 102 -25.928 16.485 6.345 776 HB2 GLU 102 HB2 GLU 102 -24.720 16.334 4.201 777 HB3 GLU 102 HB3 GLU 102 -26.460 16.556 4.016 778 HG2 GLU 102 HG2 GLU 102 -26.021 19.072 3.548 779 HG3 GLU 102 HG3 GLU 102 -24.207 18.743 3.829 780 H ILE 103 H ILE 103 -23.592 16.050 5.984 781 HA ILE 103 HA ILE 103 -21.965 18.066 7.376 782 HB ILE 103 HB ILE 103 -21.479 15.123 7.129 783 HG12 ILE 103 HG12 ILE 103 -22.767 16.813 9.432 784 HG13 ILE 103 HG13 ILE 103 -23.347 15.342 8.487 785 HG21 ILE 103 HG21 ILE 103 -19.388 16.294 7.259 786 HG22 ILE 103 HG22 ILE 103 -19.654 15.750 8.948 787 HG23 ILE 103 HG23 ILE 103 -19.870 17.488 8.472 788 HD11 ILE 103 HD11 ILE 103 -22.657 14.718 10.767 789 HD12 ILE 103 HD12 ILE 103 -21.017 15.211 10.532 790 HD13 ILE 103 HD13 ILE 103 -21.606 13.884 9.552 791 H VAL 104 H VAL 104 -20.379 18.991 6.143 792 HA VAL 104 HA VAL 104 -19.355 17.468 3.897 793 HB VAL 104 HB VAL 104 -19.786 20.427 3.923 794 HG11 VAL 104 HG11 VAL 104 -17.657 19.733 2.782 795 HG12 VAL 104 HG12 VAL 104 -18.761 20.206 1.456 796 HG13 VAL 104 HG13 VAL 104 -18.527 18.475 1.758 797 HG21 VAL 104 HG21 VAL 104 -21.180 19.850 1.765 798 HG22 VAL 104 HG22 VAL 104 -21.925 19.184 3.269 799 HG23 VAL 104 HG23 VAL 104 -20.979 18.231 2.027 800 H GLY 105 H GLY 105 -17.581 16.738 4.896 801 HA2 GLY 105 HA2 GLY 105 -15.745 16.492 5.894 802 HA3 GLY 105 HA3 GLY 105 -15.251 18.190 5.412 803 H ASP 106 H ASP 106 -15.078 19.907 7.064 804 HA ASP 106 HA ASP 106 -16.098 19.080 9.732 805 HB2 ASP 106 HB2 ASP 106 -14.218 21.300 8.864 806 HB3 ASP 106 HB3 ASP 106 -14.574 20.873 10.616 807 H LYS 107 H LYS 107 -17.398 20.707 7.178 808 HA LYS 107 HA LYS 107 -18.589 22.788 8.877 809 HB2 LYS 107 HB2 LYS 107 -18.353 22.553 5.780 810 HB3 LYS 107 HB3 LYS 107 -19.191 23.848 6.571 811 HG2 LYS 107 HG2 LYS 107 -16.155 23.286 6.829 812 HG3 LYS 107 HG3 LYS 107 -16.854 24.330 5.663 813 HD2 LYS 107 HD2 LYS 107 -17.954 25.621 7.685 814 HD3 LYS 107 HD3 LYS 107 -16.723 24.836 8.716 815 HE2 LYS 107 HE2 LYS 107 -15.665 26.546 6.275 816 HE3 LYS 107 HE3 LYS 107 -16.232 27.129 7.923 817 HZ1 LYS 107 HZ1 LYS 107 -14.693 25.292 8.780 818 HZ2 LYS 107 HZ2 LYS 107 -14.062 26.786 7.927 819 HZ3 LYS 107 HZ3 LYS 107 -14.053 25.258 7.311 820 H LEU 108 H LEU 108 -20.827 23.177 8.365 821 HA LEU 108 HA LEU 108 -22.262 20.613 7.715 822 HB2 LEU 108 HB2 LEU 108 -22.550 22.735 9.872 823 HB3 LEU 108 HB3 LEU 108 -23.894 21.730 9.383 824 HG LEU 108 HG LEU 108 -22.647 20.934 11.417 825 HD11 LEU 108 HD11 LEU 108 -24.055 19.485 9.919 826 HD12 LEU 108 HD12 LEU 108 -22.825 18.625 10.879 827 HD13 LEU 108 HD13 LEU 108 -22.590 18.964 9.144 828 HD21 LEU 108 HD21 LEU 108 -20.645 19.608 11.258 829 HD22 LEU 108 HD22 LEU 108 -20.277 21.268 10.708 830 HD23 LEU 108 HD23 LEU 108 -20.487 19.912 9.564 831 H VAL 109 H VAL 109 -24.054 20.803 6.312 832 HA VAL 109 HA VAL 109 -24.265 23.442 4.997 833 HB VAL 109 HB VAL 109 -23.798 20.898 3.424 834 HG11 VAL 109 HG11 VAL 109 -25.452 22.347 2.119 835 HG12 VAL 109 HG12 VAL 109 -23.829 22.449 1.377 836 HG13 VAL 109 HG13 VAL 109 -24.583 23.782 2.506 837 HG21 VAL 109 HG21 VAL 109 -22.217 23.542 3.703 838 HG22 VAL 109 HG22 VAL 109 -21.791 22.228 2.546 839 HG23 VAL 109 HG23 VAL 109 -21.723 21.962 4.310 840 H GLU 110 H GLU 110 -26.443 23.928 4.813 841 HA GLU 110 HA GLU 110 -28.394 21.637 4.916 842 HB2 GLU 110 HB2 GLU 110 -29.063 22.862 6.627 843 HB3 GLU 110 HB3 GLU 110 -28.552 24.423 5.975 844 HG2 GLU 110 HG2 GLU 110 -30.523 24.675 4.708 845 HG3 GLU 110 HG3 GLU 110 -30.917 22.967 4.803 846 H VAL 111 H VAL 111 -29.830 21.334 3.270 847 HA VAL 111 HA VAL 111 -30.127 23.562 1.323 848 HB VAL 111 HB VAL 111 -28.639 21.866 0.353 849 HG11 VAL 111 HG11 VAL 111 -29.307 19.762 -0.348 850 HG12 VAL 111 HG12 VAL 111 -30.860 19.787 0.595 851 HG13 VAL 111 HG13 VAL 111 -29.354 19.904 1.445 852 HG21 VAL 111 HG21 VAL 111 -31.311 22.023 -1.084 853 HG22 VAL 111 HG22 VAL 111 -29.806 21.905 -1.883 854 HG23 VAL 111 HG23 VAL 111 -30.114 23.392 -0.921 855 H SER 112 H SER 112 -32.104 24.299 1.487 856 HA SER 112 HA SER 112 -34.332 22.552 2.499 857 HB2 SER 112 HB2 SER 112 -32.832 24.328 3.856 858 HB3 SER 112 HB3 SER 112 -34.042 25.448 3.220 859 HG SER 112 HG SER 112 -34.175 24.275 5.322 860 H THR 113 H THR 113 -36.572 23.112 1.557 861 HA THR 113 HA THR 113 -36.560 25.181 -0.530 862 HB THR 113 HB THR 113 -37.287 22.181 -0.923 863 HG1 THR 113 HG1 THR 113 -35.251 23.564 -2.152 864 HG21 THR 113 HG21 THR 113 -37.396 22.745 -3.402 865 HG22 THR 113 HG22 THR 113 -37.115 24.490 -2.954 866 HG23 THR 113 HG23 THR 113 -38.641 23.642 -2.468 867 H ILE 114 H ILE 114 -38.414 26.287 -0.634 868 HA ILE 114 HA ILE 114 -40.833 25.050 0.643 869 HB ILE 114 HB ILE 114 -40.355 28.026 0.601 870 HG12 ILE 114 HG12 ILE 114 -40.134 26.593 3.215 871 HG13 ILE 114 HG13 ILE 114 -38.702 26.652 2.205 872 HG21 ILE 114 HG21 ILE 114 -42.690 27.345 0.782 873 HG22 ILE 114 HG22 ILE 114 -42.176 27.948 2.360 874 HG23 ILE 114 HG23 ILE 114 -42.295 26.218 2.102 875 HD11 ILE 114 HD11 ILE 114 -38.542 28.547 3.580 876 HD12 ILE 114 HD12 ILE 114 -40.243 28.969 3.371 877 HD13 ILE 114 HD13 ILE 114 -39.096 29.198 2.036 878 H GLY 115 H GLY 115 -42.575 25.005 -0.743 879 HA2 GLY 115 HA2 GLY 115 -43.909 25.491 -2.592 880 HA3 GLY 115 HA3 GLY 115 -43.368 27.134 -2.257 881 H GLY 116 H GLY 116 -41.183 24.689 -3.421 882 HA2 GLY 116 HA2 GLY 116 -39.784 24.420 -5.136 883 HA3 GLY 116 HA3 GLY 116 -40.791 25.379 -6.126 884 H VAL 117 H VAL 117 -39.713 27.107 -3.364 885 HA VAL 117 HA VAL 117 -37.373 28.042 -4.942 886 HB VAL 117 HB VAL 117 -39.219 29.721 -4.400 887 HG11 VAL 117 HG11 VAL 117 -37.747 29.788 -1.722 888 HG12 VAL 117 HG12 VAL 117 -39.431 29.300 -1.967 889 HG13 VAL 117 HG13 VAL 117 -38.944 30.962 -2.302 890 HG21 VAL 117 HG21 VAL 117 -37.563 31.512 -4.225 891 HG22 VAL 117 HG22 VAL 117 -37.029 30.276 -5.368 892 HG23 VAL 117 HG23 VAL 117 -36.313 30.357 -3.740 893 H THR 118 H THR 118 -35.312 28.082 -4.080 894 HA THR 118 HA THR 118 -35.028 26.247 -1.776 895 HB THR 118 HB THR 118 -33.014 26.704 -3.946 896 HG1 THR 118 HG1 THR 118 -33.924 24.853 -4.841 897 HG21 THR 118 HG21 THR 118 -32.313 24.365 -3.381 898 HG22 THR 118 HG22 THR 118 -33.371 24.420 -1.963 899 HG23 THR 118 HG23 THR 118 -31.983 25.513 -2.092 900 H TYR 119 H TYR 119 -33.422 26.312 -0.205 901 HA TYR 119 HA TYR 119 -31.814 28.801 0.038 902 HB2 TYR 119 HB2 TYR 119 -33.630 29.107 1.494 903 HB3 TYR 119 HB3 TYR 119 -33.590 27.438 2.049 904 HD1 TYR 119 HD2 TYR 119 -31.486 26.647 3.425 905 HD2 TYR 119 HD1 TYR 119 -32.708 30.746 2.850 906 HE1 TYR 119 HE2 TYR 119 -30.143 27.326 5.400 907 HE2 TYR 119 HE1 TYR 119 -31.385 31.400 4.876 908 HH TYR 119 HH TYR 119 -30.488 30.013 7.047 909 H GLU 120 H GLU 120 -29.604 28.389 0.453 910 HA GLU 120 HA GLU 120 -28.900 25.681 1.588 911 HB2 GLU 120 HB2 GLU 120 -29.125 25.232 -0.946 912 HB3 GLU 120 HB3 GLU 120 -28.175 26.782 -1.207 913 HG2 GLU 120 HG2 GLU 120 -26.149 25.400 0.006 914 HG3 GLU 120 HG3 GLU 120 -27.149 23.943 -0.317 915 H ARG 121 H ARG 121 -27.432 25.913 2.969 916 HA ARG 121 HA ARG 121 -25.373 27.957 2.716 917 HB2 ARG 121 HB2 ARG 121 -27.867 28.523 4.305 918 HB3 ARG 121 HB3 ARG 121 -26.162 28.928 4.920 919 HG2 ARG 121 HG2 ARG 121 -27.575 30.004 2.398 920 HG3 ARG 121 HG3 ARG 121 -27.354 30.807 3.826 921 HD2 ARG 121 HD2 ARG 121 -25.445 31.637 2.839 922 HD3 ARG 121 HD3 ARG 121 -24.699 30.052 3.252 923 HE ARG 121 HE ARG 121 -25.916 29.448 0.935 924 HH11 ARG 121 HH11 ARG 121 -23.211 31.421 1.863 925 HH12 ARG 121 HH12 ARG 121 -22.420 31.119 0.324 926 HH21 ARG 121 HH21 ARG 121 -25.040 29.494 -1.131 927 HH22 ARG 121 HH22 ARG 121 -23.505 30.203 -1.360 928 H VAL 122 H VAL 122 -24.050 28.289 4.518 929 HA VAL 122 HA VAL 122 -23.219 25.587 5.428 930 HB VAL 122 HB VAL 122 -21.375 27.844 4.624 931 HG11 VAL 122 HG11 VAL 122 -20.280 26.190 6.018 932 HG12 VAL 122 HG12 VAL 122 -19.725 25.995 4.357 933 HG13 VAL 122 HG13 VAL 122 -20.917 24.866 5.024 934 HG21 VAL 122 HG21 VAL 122 -22.601 27.349 2.616 935 HG22 VAL 122 HG22 VAL 122 -22.433 25.608 2.868 936 HG23 VAL 122 HG23 VAL 122 -21.016 26.601 2.486 937 H SER 123 H SER 123 -22.293 25.291 7.529 938 HA SER 123 HA SER 123 -21.967 27.651 9.183 939 HB2 SER 123 HB2 SER 123 -24.285 26.372 9.488 940 HB3 SER 123 HB3 SER 123 -23.343 24.991 9.946 941 HG SER 123 HG SER 123 -22.536 26.244 11.701 942 H LYS 124 H LYS 124 -20.372 27.393 10.730 943 HA LYS 124 HA LYS 124 -18.351 25.279 10.154 944 HB2 LYS 124 HB2 LYS 124 -16.797 26.695 11.481 945 HB3 LYS 124 HB3 LYS 124 -17.464 27.525 10.075 946 HG2 LYS 124 HG2 LYS 124 -19.007 28.780 11.453 947 HG3 LYS 124 HG3 LYS 124 -18.532 27.876 12.896 948 HD2 LYS 124 HD2 LYS 124 -16.209 28.902 12.637 949 HD3 LYS 124 HD3 LYS 124 -16.882 29.889 11.315 950 HE2 LYS 124 HE2 LYS 124 -18.727 30.579 12.971 951 HE3 LYS 124 HE3 LYS 124 -17.767 29.815 14.242 952 HZ1 LYS 124 HZ1 LYS 124 -15.980 31.431 13.617 953 HZ2 LYS 124 HZ2 LYS 124 -17.357 32.099 14.230 954 HZ3 LYS 124 HZ3 LYS 124 -17.051 32.171 12.608 955 H ARG 125 H ARG 125 -17.460 23.882 11.728 956 HA ARG 125 HA ARG 125 -19.009 23.717 14.294 957 HB2 ARG 125 HB2 ARG 125 -18.720 21.476 14.416 958 HB3 ARG 125 HB3 ARG 125 -18.942 21.709 12.693 959 HG2 ARG 125 HG2 ARG 125 -16.363 21.523 12.492 960 HG3 ARG 125 HG3 ARG 125 -16.379 20.998 14.175 961 HD2 ARG 125 HD2 ARG 125 -17.908 19.149 13.653 962 HD3 ARG 125 HD3 ARG 125 -18.081 19.731 11.993 963 HE ARG 125 HE ARG 125 -15.326 19.096 12.429 964 HH11 ARG 125 HH11 ARG 125 -18.413 17.600 11.746 965 HH12 ARG 125 HH12 ARG 125 -17.658 16.388 10.752 966 HH21 ARG 125 HH21 ARG 125 -14.508 17.485 11.143 967 HH22 ARG 125 HH22 ARG 125 -15.573 16.343 10.434 968 H LEU 126 H LEU 126 -17.938 23.877 16.215 969 HA LEU 126 HA LEU 126 -14.993 23.916 16.291 970 HB2 LEU 126 HB2 LEU 126 -14.861 26.224 17.159 971 HB3 LEU 126 HB3 LEU 126 -15.276 26.089 15.484 972 HG LEU 126 HG LEU 126 -16.386 27.917 16.678 973 HD11 LEU 126 HD11 LEU 126 -18.572 26.071 15.708 974 HD12 LEU 126 HD12 LEU 126 -17.363 26.778 14.608 975 HD13 LEU 126 HD13 LEU 126 -18.410 27.824 15.563 976 HD21 LEU 126 HD21 LEU 126 -18.246 27.585 18.136 977 HD22 LEU 126 HD22 LEU 126 -16.824 26.814 18.837 978 HD23 LEU 126 HD23 LEU 126 -18.080 25.814 18.066 979 H ALA 127 H ALA 127 -17.062 22.312 17.679 980 HA ALA 127 HA ALA 127 -16.941 23.021 20.501 981 HB1 ALA 127 HB1 ALA 127 -17.459 20.368 19.075 982 HB2 ALA 127 HB2 ALA 127 -18.671 21.515 19.706 983 HB3 ALA 127 HB3 ALA 127 -17.622 20.637 20.826 984 H12 GCH 201 H12 GCH 128 -27.044 17.292 12.543 985 H1 GCH 201 H1 GCH 128 -29.447 17.673 12.433 986 H10 GCH 201 H10 GCH 128 -28.696 19.628 11.638 987 H11 GCH 201 H11 GCH 128 -27.790 18.297 10.783 988 H9 GCH 201 H9 GCH 128 -25.725 19.457 11.265 989 H4 GCH 201 H4 GCH 128 -26.559 21.046 14.519 990 H5 GCH 201 H5 GCH 128 -28.208 20.671 13.778 991 H2 GCH 201 H2 GCH 128 -27.144 18.613 14.900 992 H3 GCH 201 H3 GCH 128 -25.758 18.757 14.033 993 H6 GCH 201 H6 GCH 128 -24.532 20.516 12.842 994 H7 GCH 201 H7 GCH 128 -24.487 21.943 11.679 995 H8 GCH 201 H8 GCH 128 -24.859 22.207 13.445 996 H17 GCH 201 H17 GCH 128 -27.026 19.792 9.216 997 H18 GCH 201 H18 GCH 128 -25.741 20.789 9.490 998 H16 GCH 201 H16 GCH 128 -27.238 22.194 8.542 999 H13 GCH 201 H13 GCH 128 -29.333 22.324 9.096 1000 H15 GCH 201 H15 GCH 128 -26.066 23.238 10.466 1001 H14 GCH 201 H14 GCH 128 -28.365 21.969 12.104 1002 H41 GCH 201 H41 GCH 128 -27.104 23.170 14.178 1003 H42 GCH 201 H42 GCH 128 -26.011 23.845 12.974 1004 H40 GCH 201 H40 GCH 128 -27.225 25.671 13.506 1005 H35 GCH 201 H35 GCH 128 -29.121 23.744 10.889 1006 H33 GCH 201 H33 GCH 128 -28.850 24.131 8.625 1007 H34 GCH 201 H34 GCH 128 -27.357 25.077 8.656 1008 H31 GCH 201 H31 GCH 128 -30.081 25.947 9.293 1009 H32 GCH 201 H32 GCH 128 -28.672 26.852 8.802 1010 H30 GCH 201 H30 GCH 128 -29.846 25.940 11.511 1011 H29 GCH 201 H29 GCH 128 -28.353 28.471 10.797 1012 H19 GCH 201 H19 GCH 128 -28.836 27.510 13.697 1013 H20 GCH 201 H20 GCH 128 -27.248 27.594 12.856 1014 H21 GCH 201 H21 GCH 128 -28.073 29.097 13.150 1015 H27 GCH 201 H27 GCH 128 -30.966 27.454 12.334 1016 H28 GCH 201 H28 GCH 128 -30.548 29.147 12.414 1017 H25 GCH 201 H25 GCH 128 -31.377 27.673 9.918 1018 H26 GCH 201 H26 GCH 128 -32.348 28.777 10.926 1019 H24 GCH 201 H24 GCH 128 -29.740 30.731 11.149 1020 H22 GCH 201 H22 GCH 128 -30.627 32.721 9.356 1021 H23 GCH 201 H23 GCH 128 -29.244 31.757 8.667 1022 H36 GCH 201 H36 GCH 128 -26.027 25.290 10.209 1023 H37 GCH 201 H37 GCH 128 -26.498 26.906 10.601 1024 H38 GCH 201 H38 GCH 128 -25.618 26.007 11.833 1025 H39 GCH 201 H39 GCH 128 -29.495 24.083 13.468 1026 H11 CHO 202 H11 CHO 129 -34.744 16.839 9.031 1027 H12 CHO 202 H12 CHO 129 -34.138 15.745 10.226 1028 H21 CHO 202 H21 CHO 129 -32.175 16.840 8.955 1029 H22 CHO 202 H22 CHO 129 -32.666 18.378 9.671 1030 H3 CHO 202 H3 CHO 129 -32.110 15.924 11.452 1031 HO3 CHO 202 HO3 CHO 129 -30.634 17.701 10.028 1032 H41 CHO 202 H41 CHO 129 -31.827 17.592 13.116 1033 H42 CHO 202 H42 CHO 129 -32.382 18.946 12.110 1034 H5 CHO 202 H5 CHO 129 -34.136 16.538 12.923 1035 H61 CHO 202 H61 CHO 129 -35.425 18.078 14.145 1036 H62 CHO 202 H62 CHO 129 -33.709 18.670 14.413 1037 H7 CHO 202 H7 CHO 129 -35.760 20.100 14.028 1038 HO7 CHO 202 HO7 CHO 129 -34.412 21.490 13.348 1039 H8 CHO 202 H8 CHO 129 -36.710 19.575 12.016 1040 H9 CHO 202 H9 CHO 129 -34.100 19.557 10.632 1041 H111 CHO 202 H111 CHO 129 -35.363 18.755 8.704 1042 H112 CHO 202 H112 CHO 129 -36.930 18.769 9.619 1043 H121 CHO 202 H121 CHO 129 -36.590 20.692 8.065 1044 H122 CHO 202 H122 CHO 129 -34.993 20.980 8.767 1045 H14 CHO 202 H14 CHO 129 -34.594 21.655 11.135 1046 H151 CHO 202 H151 CHO 129 -37.021 22.005 12.907 1047 H152 CHO 202 H152 CHO 129 -35.391 22.748 13.051 1048 H161 CHO 202 H161 CHO 129 -37.763 23.553 11.554 1049 H162 CHO 202 H162 CHO 129 -36.370 24.560 11.419 1050 H17 CHO 202 H17 CHO 129 -35.209 23.191 9.934 1051 H181 CHO 202 H181 CHO 129 -38.113 20.052 10.675 1052 H182 CHO 202 H182 CHO 129 -38.428 21.644 11.363 1053 H183 CHO 202 H183 CHO 129 -38.605 21.342 9.542 1054 H191 CHO 202 H191 CHO 129 -36.950 17.558 12.028 1055 H192 CHO 202 H192 CHO 129 -36.749 16.630 10.469 1056 H193 CHO 202 H193 CHO 129 -36.070 16.078 11.999 1057 H20 CHO 202 H20 CHO 129 -36.939 22.937 7.915 1058 H211 CHO 202 H211 CHO 129 -36.106 25.464 9.219 1059 H212 CHO 202 H212 CHO 129 -35.253 24.622 7.869 1060 H213 CHO 202 H213 CHO 129 -36.860 25.497 7.632 1061 H221 CHO 202 H221 CHO 129 -38.953 24.072 7.936 1062 H222 CHO 202 H222 CHO 129 -39.074 23.270 9.573 1063 H231 CHO 202 H231 CHO 129 -38.281 25.480 10.527 1064 H232 CHO 202 H232 CHO 129 -38.383 26.182 8.878 1065 HN CHO 202 HN CHO 129 -40.060 26.948 11.467 1066 H261 CHO 202 H261 CHO 129 -42.657 27.320 10.213 1067 H262 CHO 202 H262 CHO 129 -42.514 26.073 11.527 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -22.100 11.024 13.860 2 H2 ALA 1 H2 ALA 1 -23.364 11.211 12.771 3 H3 ALA 1 H3 ALA 1 -23.251 9.832 13.713 4 HA ALA 1 HA ALA 1 -24.953 11.506 14.597 5 HB1 ALA 1 HB1 ALA 1 -23.914 10.167 16.428 6 HB2 ALA 1 HB2 ALA 1 -23.893 11.793 17.046 7 HB3 ALA 1 HB3 ALA 1 -22.449 11.259 16.303 8 H PHE 2 H PHE 2 -25.271 13.799 14.605 9 HA PHE 2 HA PHE 2 -23.109 15.412 13.450 10 HB2 PHE 2 HB2 PHE 2 -25.956 16.115 14.085 11 HB3 PHE 2 HB3 PHE 2 -24.827 17.189 13.351 12 HD1 PHE 2 HD1 PHE 2 -26.714 14.016 12.742 13 HD2 PHE 2 HD2 PHE 2 -24.372 17.215 11.068 14 HE1 PHE 2 HE1 PHE 2 -27.567 13.461 10.481 15 HE2 PHE 2 HE2 PHE 2 -25.312 16.713 8.832 16 HZ PHE 2 HZ PHE 2 -26.906 14.844 8.540 17 H THR 3 H THR 3 -23.684 14.729 16.537 18 HA THR 3 HA THR 3 -23.638 16.676 18.395 19 HB THR 3 HB THR 3 -21.340 14.614 18.089 20 HG1 THR 3 HG1 THR 3 -22.818 13.162 19.082 21 HG21 THR 3 HG21 THR 3 -20.989 16.082 20.037 22 HG22 THR 3 HG22 THR 3 -21.424 14.439 20.521 23 HG23 THR 3 HG23 THR 3 -22.633 15.755 20.716 24 H GLY 4 H GLY 4 -22.433 18.475 19.278 25 HA2 GLY 4 HA2 GLY 4 -19.957 19.223 19.408 26 HA3 GLY 4 HA3 GLY 4 -20.064 19.338 17.679 27 H LYS 5 H LYS 5 -19.527 21.913 18.397 28 HA LYS 5 HA LYS 5 -22.201 23.131 18.432 29 HB2 LYS 5 HB2 LYS 5 -21.057 23.275 20.779 30 HB3 LYS 5 HB3 LYS 5 -19.690 24.130 20.004 31 HG2 LYS 5 HG2 LYS 5 -22.467 25.210 19.529 32 HG3 LYS 5 HG3 LYS 5 -22.119 25.251 21.136 33 HD2 LYS 5 HD2 LYS 5 -20.230 26.564 18.956 34 HD3 LYS 5 HD3 LYS 5 -21.652 27.335 19.631 35 HE2 LYS 5 HE2 LYS 5 -20.467 26.739 21.916 36 HE3 LYS 5 HE3 LYS 5 -18.999 26.603 20.850 37 HZ1 LYS 5 HZ1 LYS 5 -18.992 28.856 21.553 38 HZ2 LYS 5 HZ2 LYS 5 -20.598 29.100 21.065 39 HZ3 LYS 5 HZ3 LYS 5 -19.513 28.811 19.874 40 H PHE 6 H PHE 6 -22.514 24.549 16.935 41 HA PHE 6 HA PHE 6 -20.283 25.005 15.006 42 HB2 PHE 6 HB2 PHE 6 -23.179 24.305 14.398 43 HB3 PHE 6 HB3 PHE 6 -21.833 24.475 13.271 44 HD1 PHE 6 HD1 PHE 6 -23.073 22.307 16.065 45 HD2 PHE 6 HD2 PHE 6 -20.580 22.647 12.558 46 HE1 PHE 6 HE1 PHE 6 -22.615 19.869 16.136 47 HE2 PHE 6 HE2 PHE 6 -20.197 20.196 12.606 48 HZ PHE 6 HZ PHE 6 -21.173 18.817 14.432 49 H GLU 7 H GLU 7 -20.144 27.015 14.059 50 HA GLU 7 HA GLU 7 -22.335 29.009 14.657 51 HB2 GLU 7 HB2 GLU 7 -20.372 29.697 15.767 52 HB3 GLU 7 HB3 GLU 7 -19.401 29.472 14.182 53 HG2 GLU 7 HG2 GLU 7 -20.221 31.426 13.309 54 HG3 GLU 7 HG3 GLU 7 -21.748 31.528 14.339 55 H MET 8 H MET 8 -23.555 29.522 12.914 56 HA MET 8 HA MET 8 -22.631 28.940 10.167 57 HB2 MET 8 HB2 MET 8 -24.943 28.693 11.078 58 HB3 MET 8 HB3 MET 8 -25.017 30.446 11.230 59 HG2 MET 8 HG2 MET 8 -24.657 30.955 8.910 60 HG3 MET 8 HG3 MET 8 -24.499 29.254 8.382 61 HE1 MET 8 HE1 MET 8 -28.376 31.834 9.220 62 HE2 MET 8 HE2 MET 8 -26.642 32.339 9.206 63 HE3 MET 8 HE3 MET 8 -27.337 31.559 10.610 64 H GLU 9 H GLU 9 -21.927 30.278 8.518 65 HA GLU 9 HA GLU 9 -22.794 33.030 8.811 66 HB2 GLU 9 HB2 GLU 9 -20.185 32.239 7.355 67 HB3 GLU 9 HB3 GLU 9 -20.894 33.843 7.580 68 HG2 GLU 9 HG2 GLU 9 -20.396 33.968 9.845 69 HG3 GLU 9 HG3 GLU 9 -19.839 32.163 9.990 70 H SER 10 H SER 10 -24.496 33.050 7.418 71 HA SER 10 HA SER 10 -24.140 32.499 4.624 72 HB2 SER 10 HB2 SER 10 -25.562 30.375 6.257 73 HB3 SER 10 HB3 SER 10 -25.920 30.650 4.546 74 HG SER 10 HG SER 10 -23.263 30.346 5.385 75 H GLU 11 H GLU 11 -25.205 34.474 4.260 76 HA GLU 11 HA GLU 11 -28.157 34.451 4.611 77 HB2 GLU 11 HB2 GLU 11 -26.116 36.622 3.650 78 HB3 GLU 11 HB3 GLU 11 -27.945 36.740 3.542 79 HG2 GLU 11 HG2 GLU 11 -28.252 36.777 5.918 80 HG3 GLU 11 HG3 GLU 11 -26.554 36.445 6.352 81 H LYS 12 H LYS 12 -29.162 33.361 3.021 82 HA LYS 12 HA LYS 12 -28.486 33.842 0.182 83 HB2 LYS 12 HB2 LYS 12 -27.062 31.949 0.925 84 HB3 LYS 12 HB3 LYS 12 -28.467 31.132 1.556 85 HG2 LYS 12 HG2 LYS 12 -27.819 30.027 -0.391 86 HG3 LYS 12 HG3 LYS 12 -29.319 30.837 -0.806 87 HD2 LYS 12 HD2 LYS 12 -28.061 32.613 -1.970 88 HD3 LYS 12 HD3 LYS 12 -26.528 31.873 -1.495 89 HE2 LYS 12 HE2 LYS 12 -28.677 30.594 -3.242 90 HE3 LYS 12 HE3 LYS 12 -27.183 31.316 -3.835 91 HZ1 LYS 12 HZ1 LYS 12 -26.981 28.882 -3.633 92 HZ2 LYS 12 HZ2 LYS 12 -27.316 28.940 -2.043 93 HZ3 LYS 12 HZ3 LYS 12 -25.944 29.595 -2.594 94 H ASN 13 H ASN 13 -30.624 35.021 0.514 95 HA ASN 13 HA ASN 13 -32.865 35.204 0.172 96 HB2 ASN 13 HB2 ASN 13 -32.341 33.857 -1.805 97 HB3 ASN 13 HB3 ASN 13 -32.619 32.364 -0.912 98 HD21 ASN 13 HD21 ASN 13 -34.514 31.438 -1.325 99 HD22 ASN 13 HD22 ASN 13 -35.903 32.363 -1.946 100 H TYR 14 H TYR 14 -31.999 34.441 2.831 101 HA TYR 14 HA TYR 14 -33.651 32.579 4.120 102 HB2 TYR 14 HB2 TYR 14 -32.791 33.725 6.137 103 HB3 TYR 14 HB3 TYR 14 -31.458 33.273 4.998 104 HD1 TYR 14 HD1 TYR 14 -30.179 35.173 3.860 105 HD2 TYR 14 HD2 TYR 14 -33.328 35.897 6.693 106 HE1 TYR 14 HE1 TYR 14 -29.697 37.548 3.884 107 HE2 TYR 14 HE2 TYR 14 -32.926 38.331 6.617 108 HH TYR 14 HH TYR 14 -30.209 39.546 4.488 109 H ASP 15 H ASP 15 -33.904 35.943 3.126 110 HA ASP 15 HA ASP 15 -35.751 36.697 5.155 111 HB2 ASP 15 HB2 ASP 15 -36.074 38.727 3.584 112 HB3 ASP 15 HB3 ASP 15 -34.641 38.498 4.533 113 H GLU 16 H GLU 16 -36.247 35.786 1.834 114 HA GLU 16 HA GLU 16 -39.198 35.719 1.969 115 HB2 GLU 16 HB2 GLU 16 -37.136 34.242 0.168 116 HB3 GLU 16 HB3 GLU 16 -38.888 34.079 -0.072 117 HG2 GLU 16 HG2 GLU 16 -37.044 36.615 -0.408 118 HG3 GLU 16 HG3 GLU 16 -37.615 35.557 -1.663 119 H PHE 17 H PHE 17 -36.600 33.420 2.577 120 HA PHE 17 HA PHE 17 -38.261 31.150 2.483 121 HB2 PHE 17 HB2 PHE 17 -35.635 31.450 2.563 122 HB3 PHE 17 HB3 PHE 17 -35.803 31.330 4.304 123 HD1 PHE 17 HD1 PHE 17 -36.353 29.740 1.024 124 HD2 PHE 17 HD2 PHE 17 -36.295 29.112 5.291 125 HE1 PHE 17 HE1 PHE 17 -36.464 27.304 0.665 126 HE2 PHE 17 HE2 PHE 17 -36.368 26.653 4.928 127 HZ PHE 17 HZ PHE 17 -36.513 25.766 2.593 128 H MET 18 H MET 18 -37.047 33.010 5.309 129 HA MET 18 HA MET 18 -38.424 31.383 7.249 130 HB2 MET 18 HB2 MET 18 -36.994 34.054 7.326 131 HB3 MET 18 HB3 MET 18 -37.640 33.274 8.768 132 HG2 MET 18 HG2 MET 18 -35.621 32.007 6.895 133 HG3 MET 18 HG3 MET 18 -35.209 32.841 8.384 134 HE1 MET 18 HE1 MET 18 -34.492 28.960 8.864 135 HE2 MET 18 HE2 MET 18 -33.791 30.554 8.509 136 HE3 MET 18 HE3 MET 18 -34.678 29.673 7.248 137 H LYS 19 H LYS 19 -39.318 34.330 5.610 138 HA LYS 19 HA LYS 19 -41.746 35.041 6.987 139 HB2 LYS 19 HB2 LYS 19 -40.609 35.419 4.187 140 HB3 LYS 19 HB3 LYS 19 -42.299 35.793 4.451 141 HG2 LYS 19 HG2 LYS 19 -40.026 37.053 6.014 142 HG3 LYS 19 HG3 LYS 19 -40.809 37.751 4.593 143 HD2 LYS 19 HD2 LYS 19 -43.023 37.635 5.814 144 HD3 LYS 19 HD3 LYS 19 -42.152 37.168 7.282 145 HE2 LYS 19 HE2 LYS 19 -41.703 39.712 5.663 146 HE3 LYS 19 HE3 LYS 19 -42.648 39.612 7.161 147 HZ1 LYS 19 HZ1 LYS 19 -40.334 40.343 7.530 148 HZ2 LYS 19 HZ2 LYS 19 -39.787 38.889 6.961 149 HZ3 LYS 19 HZ3 LYS 19 -40.680 38.967 8.351 150 H LEU 20 H LEU 20 -41.185 32.826 4.350 151 HA LEU 20 HA LEU 20 -44.017 32.223 4.099 152 HB2 LEU 20 HB2 LEU 20 -41.624 31.231 2.488 153 HB3 LEU 20 HB3 LEU 20 -43.331 30.812 2.226 154 HG LEU 20 HG LEU 20 -42.573 33.834 2.021 155 HD11 LEU 20 HD11 LEU 20 -42.432 31.755 -0.163 156 HD12 LEU 20 HD12 LEU 20 -41.016 32.606 0.524 157 HD13 LEU 20 HD13 LEU 20 -42.360 33.607 -0.252 158 HD21 LEU 20 HD21 LEU 20 -44.701 31.940 0.868 159 HD22 LEU 20 HD22 LEU 20 -44.689 33.740 0.619 160 HD23 LEU 20 HD23 LEU 20 -44.983 33.006 2.236 161 H LEU 21 H LEU 21 -41.383 30.920 5.938 162 HA LEU 21 HA LEU 21 -42.901 28.429 6.362 163 HB2 LEU 21 HB2 LEU 21 -40.401 28.705 5.843 164 HB3 LEU 21 HB3 LEU 21 -40.219 29.119 7.528 165 HG LEU 21 HG LEU 21 -40.882 26.872 8.177 166 HD11 LEU 21 HD11 LEU 21 -41.710 26.420 5.297 167 HD12 LEU 21 HD12 LEU 21 -42.726 26.312 6.749 168 HD13 LEU 21 HD13 LEU 21 -41.461 25.118 6.479 169 HD21 LEU 21 HD21 LEU 21 -39.192 25.541 7.019 170 HD22 LEU 21 HD22 LEU 21 -38.575 27.193 7.209 171 HD23 LEU 21 HD23 LEU 21 -39.201 26.665 5.647 172 H GLY 22 H GLY 22 -42.731 31.426 7.848 173 HA2 GLY 22 HA2 GLY 22 -44.900 31.878 8.820 174 HA3 GLY 22 HA3 GLY 22 -44.758 30.427 9.812 175 H ILE 23 H ILE 23 -41.839 32.321 9.669 176 HA ILE 23 HA ILE 23 -42.404 33.436 12.336 177 HB ILE 23 HB ILE 23 -39.937 33.997 10.675 178 HG12 ILE 23 HG12 ILE 23 -39.167 32.234 12.684 179 HG13 ILE 23 HG13 ILE 23 -40.780 31.565 12.327 180 HG21 ILE 23 HG21 ILE 23 -40.570 33.997 13.651 181 HG22 ILE 23 HG22 ILE 23 -40.507 35.530 12.630 182 HG23 ILE 23 HG23 ILE 23 -39.047 34.425 12.996 183 HD11 ILE 23 HD11 ILE 23 -38.670 30.568 10.999 184 HD12 ILE 23 HD12 ILE 23 -38.610 32.124 10.148 185 HD13 ILE 23 HD13 ILE 23 -40.037 31.177 10.030 186 H SER 24 H SER 24 -42.859 35.916 12.537 187 HA SER 24 HA SER 24 -42.955 37.158 9.875 188 HB2 SER 24 HB2 SER 24 -44.123 38.030 12.597 189 HB3 SER 24 HB3 SER 24 -44.096 39.050 11.030 190 HG SER 24 HG SER 24 -45.384 36.604 11.253 191 H SER 25 H SER 25 -41.513 37.921 13.159 192 HA SER 25 HA SER 25 -39.348 39.076 11.566 193 HB2 SER 25 HB2 SER 25 -40.708 40.377 13.969 194 HB3 SER 25 HB3 SER 25 -38.953 40.671 13.599 195 HG SER 25 HG SER 25 -41.029 41.917 12.633 196 H ASP 26 H ASP 26 -40.339 37.291 14.526 197 HA ASP 26 HA ASP 26 -38.381 37.500 16.265 198 HB2 ASP 26 HB2 ASP 26 -40.362 35.542 15.903 199 HB3 ASP 26 HB3 ASP 26 -38.866 34.574 15.710 200 H VAL 27 H VAL 27 -37.706 34.660 14.133 201 HA VAL 27 HA VAL 27 -34.887 35.042 14.718 202 HB VAL 27 HB VAL 27 -36.040 32.802 14.588 203 HG11 VAL 27 HG11 VAL 27 -37.129 33.166 12.326 204 HG12 VAL 27 HG12 VAL 27 -36.197 31.665 12.465 205 HG13 VAL 27 HG13 VAL 27 -35.526 33.044 11.586 206 HG21 VAL 27 HG21 VAL 27 -34.053 31.661 13.838 207 HG22 VAL 27 HG22 VAL 27 -33.548 33.141 14.679 208 HG23 VAL 27 HG23 VAL 27 -33.510 33.069 12.913 209 H ILE 28 H ILE 28 -36.867 36.212 12.145 210 HA ILE 28 HA ILE 28 -34.815 36.253 10.085 211 HB ILE 28 HB ILE 28 -37.182 38.149 10.204 212 HG12 ILE 28 HG12 ILE 28 -37.259 35.199 9.610 213 HG13 ILE 28 HG13 ILE 28 -38.264 36.104 10.735 214 HG21 ILE 28 HG21 ILE 28 -37.055 37.983 7.760 215 HG22 ILE 28 HG22 ILE 28 -35.797 36.733 7.881 216 HG23 ILE 28 HG23 ILE 28 -35.470 38.399 8.394 217 HD11 ILE 28 HD11 ILE 28 -38.468 36.128 7.701 218 HD12 ILE 28 HD12 ILE 28 -39.365 37.231 8.774 219 HD13 ILE 28 HD13 ILE 28 -39.626 35.484 8.867 220 H GLU 29 H GLU 29 -35.846 38.511 12.545 221 HA GLU 29 HA GLU 29 -34.210 40.724 11.506 222 HB2 GLU 29 HB2 GLU 29 -34.803 42.147 13.215 223 HB3 GLU 29 HB3 GLU 29 -36.289 41.366 12.448 224 HG2 GLU 29 HG2 GLU 29 -36.707 39.996 14.315 225 HG3 GLU 29 HG3 GLU 29 -35.098 40.295 15.078 226 H LYS 30 H LYS 30 -34.007 38.249 13.932 227 HA LYS 30 HA LYS 30 -31.509 39.272 15.106 228 HB2 LYS 30 HB2 LYS 30 -32.845 36.544 15.373 229 HB3 LYS 30 HB3 LYS 30 -31.504 37.138 16.351 230 HG2 LYS 30 HG2 LYS 30 -34.306 38.319 16.245 231 HG3 LYS 30 HG3 LYS 30 -33.688 37.288 17.522 232 HD2 LYS 30 HD2 LYS 30 -32.103 39.064 18.191 233 HD3 LYS 30 HD3 LYS 30 -32.645 40.066 16.820 234 HE2 LYS 30 HE2 LYS 30 -35.022 39.822 17.725 235 HE3 LYS 30 HE3 LYS 30 -34.312 39.153 19.196 236 HZ1 LYS 30 HZ1 LYS 30 -34.676 41.535 19.392 237 HZ2 LYS 30 HZ2 LYS 30 -33.823 41.846 18.045 238 HZ3 LYS 30 HZ3 LYS 30 -33.051 41.272 19.386 239 H ALA 31 H ALA 31 -32.321 36.659 12.627 240 HA ALA 31 HA ALA 31 -29.652 36.093 12.434 241 HB1 ALA 31 HB1 ALA 31 -30.347 34.513 10.588 242 HB2 ALA 31 HB2 ALA 31 -31.976 35.298 10.465 243 HB3 ALA 31 HB3 ALA 31 -31.427 34.322 11.934 244 H ARG 32 H ARG 32 -31.727 38.303 10.510 245 HA ARG 32 HA ARG 32 -29.752 38.621 8.447 246 HB2 ARG 32 HB2 ARG 32 -31.021 40.319 7.622 247 HB3 ARG 32 HB3 ARG 32 -32.211 39.289 8.413 248 HG2 ARG 32 HG2 ARG 32 -32.242 40.846 10.373 249 HG3 ARG 32 HG3 ARG 32 -31.117 41.915 9.522 250 HD2 ARG 32 HD2 ARG 32 -33.921 41.156 8.661 251 HD3 ARG 32 HD3 ARG 32 -33.354 42.761 9.187 252 HE ARG 32 HE ARG 32 -31.753 41.949 6.995 253 HH11 ARG 32 HH11 ARG 32 -35.028 42.977 7.401 254 HH12 ARG 32 HH12 ARG 32 -35.300 43.099 5.672 255 HH21 ARG 32 HH21 ARG 32 -32.191 41.898 4.837 256 HH22 ARG 32 HH22 ARG 32 -33.715 42.397 4.239 257 H ASN 33 H ASN 33 -29.928 40.198 11.574 258 HA ASN 33 HA ASN 33 -27.799 41.898 10.949 259 HB2 ASN 33 HB2 ASN 33 -28.897 41.124 13.697 260 HB3 ASN 33 HB3 ASN 33 -27.574 42.267 13.382 261 HD21 ASN 33 HD21 ASN 33 -31.015 42.042 13.306 262 HD22 ASN 33 HD22 ASN 33 -31.278 43.516 12.455 263 H PHE 34 H PHE 34 -27.796 38.801 12.721 264 HA PHE 34 HA PHE 34 -24.825 39.210 13.024 265 HB2 PHE 34 HB2 PHE 34 -26.699 37.646 14.832 266 HB3 PHE 34 HB3 PHE 34 -24.999 38.019 15.106 267 HD1 PHE 34 HD2 PHE 34 -24.592 40.796 14.776 268 HD2 PHE 34 HD1 PHE 34 -28.204 38.842 16.090 269 HE1 PHE 34 HE2 PHE 34 -25.319 42.883 15.895 270 HE2 PHE 34 HE1 PHE 34 -28.921 40.930 17.217 271 HZ PHE 34 HZ PHE 34 -27.481 42.958 17.119 272 H LYS 35 H LYS 35 -26.620 36.423 13.580 273 HA LYS 35 HA LYS 35 -26.581 34.714 11.556 274 HB2 LYS 35 HB2 LYS 35 -24.717 33.203 11.807 275 HB3 LYS 35 HB3 LYS 35 -24.108 34.750 11.317 276 HG2 LYS 35 HG2 LYS 35 -24.047 33.785 14.217 277 HG3 LYS 35 HG3 LYS 35 -22.791 33.424 13.049 278 HD2 LYS 35 HD2 LYS 35 -22.492 35.918 12.676 279 HD3 LYS 35 HD3 LYS 35 -23.504 36.168 14.113 280 HE2 LYS 35 HE2 LYS 35 -20.905 34.592 13.932 281 HE3 LYS 35 HE3 LYS 35 -21.079 36.198 14.646 282 HZ1 LYS 35 HZ1 LYS 35 -22.581 33.851 15.594 283 HZ2 LYS 35 HZ2 LYS 35 -22.386 35.278 16.397 284 HZ3 LYS 35 HZ3 LYS 35 -21.129 34.180 16.186 285 H ILE 36 H ILE 36 -26.550 32.345 12.620 286 HA ILE 36 HA ILE 36 -27.437 32.502 15.475 287 HB ILE 36 HB ILE 36 -28.687 30.814 13.336 288 HG12 ILE 36 HG12 ILE 36 -29.319 33.118 12.839 289 HG13 ILE 36 HG13 ILE 36 -30.679 32.175 13.369 290 HG21 ILE 36 HG21 ILE 36 -28.891 29.809 15.574 291 HG22 ILE 36 HG22 ILE 36 -30.445 30.350 14.973 292 HG23 ILE 36 HG23 ILE 36 -29.617 31.325 16.176 293 HD11 ILE 36 HD11 ILE 36 -29.231 34.099 15.219 294 HD12 ILE 36 HD12 ILE 36 -30.752 33.240 15.511 295 HD13 ILE 36 HD13 ILE 36 -30.675 34.484 14.272 296 H VAL 37 H VAL 37 -27.035 30.562 16.691 297 HA VAL 37 HA VAL 37 -24.875 28.837 15.567 298 HB VAL 37 HB VAL 37 -23.476 29.064 17.435 299 HG11 VAL 37 HG11 VAL 37 -24.364 31.912 16.795 300 HG12 VAL 37 HG12 VAL 37 -23.387 30.903 15.720 301 HG13 VAL 37 HG13 VAL 37 -22.751 31.354 17.304 302 HG21 VAL 37 HG21 VAL 37 -25.085 29.235 19.272 303 HG22 VAL 37 HG22 VAL 37 -25.580 30.848 18.715 304 HG23 VAL 37 HG23 VAL 37 -23.941 30.582 19.340 305 H THR 38 H THR 38 -24.629 26.757 16.398 306 HA THR 38 HA THR 38 -26.961 25.762 17.976 307 HB THR 38 HB THR 38 -25.942 24.356 15.516 308 HG1 THR 38 HG1 THR 38 -26.851 26.224 14.877 309 HG21 THR 38 HG21 THR 38 -27.273 22.920 17.168 310 HG22 THR 38 HG22 THR 38 -28.032 23.112 15.618 311 HG23 THR 38 HG23 THR 38 -28.614 24.071 16.950 312 H GLU 39 H GLU 39 -26.780 23.990 19.190 313 HA GLU 39 HA GLU 39 -24.213 22.765 19.458 314 HB2 GLU 39 HB2 GLU 39 -26.529 22.898 21.510 315 HB3 GLU 39 HB3 GLU 39 -24.910 22.272 21.935 316 HG2 GLU 39 HG2 GLU 39 -24.093 24.740 21.484 317 HG3 GLU 39 HG3 GLU 39 -25.703 25.165 21.162 318 H VAL 40 H VAL 40 -24.268 20.397 19.395 319 HA VAL 40 HA VAL 40 -26.947 19.350 19.159 320 HB VAL 40 HB VAL 40 -24.365 18.553 17.593 321 HG11 VAL 40 HG11 VAL 40 -26.141 16.838 17.695 322 HG12 VAL 40 HG12 VAL 40 -25.642 17.345 16.004 323 HG13 VAL 40 HG13 VAL 40 -27.237 17.835 16.647 324 HG21 VAL 40 HG21 VAL 40 -26.579 20.515 16.755 325 HG22 VAL 40 HG22 VAL 40 -25.512 19.869 15.509 326 HG23 VAL 40 HG23 VAL 40 -24.822 20.803 16.943 327 H GLN 41 H GLN 41 -27.463 17.215 19.921 328 HA GLN 41 HA GLN 41 -25.295 15.577 20.675 329 HB2 GLN 41 HB2 GLN 41 -25.840 16.765 22.932 330 HB3 GLN 41 HB3 GLN 41 -27.526 16.474 22.631 331 HG2 GLN 41 HG2 GLN 41 -27.120 13.952 22.810 332 HG3 GLN 41 HG3 GLN 41 -25.375 14.368 22.716 333 HE21 GLN 41 HE21 GLN 41 -27.862 13.545 24.965 334 HE22 GLN 41 HE22 GLN 41 -26.847 13.718 26.323 335 H GLN 42 H GLN 42 -25.938 13.416 20.278 336 HA GLN 42 HA GLN 42 -28.658 12.879 19.617 337 HB2 GLN 42 HB2 GLN 42 -26.360 12.335 17.672 338 HB3 GLN 42 HB3 GLN 42 -28.068 11.998 17.317 339 HG2 GLN 42 HG2 GLN 42 -28.532 14.372 17.546 340 HG3 GLN 42 HG3 GLN 42 -26.693 14.714 17.575 341 HE21 GLN 42 HE21 GLN 42 -28.354 15.971 15.696 342 HE22 GLN 42 HE22 GLN 42 -28.066 15.303 14.151 343 H ASP 43 H ASP 43 -29.061 10.563 19.523 344 HA ASP 43 HA ASP 43 -26.742 8.977 19.086 345 HB2 ASP 43 HB2 ASP 43 -26.653 9.229 21.689 346 HB3 ASP 43 HB3 ASP 43 -28.111 8.253 21.709 347 H GLY 44 H GLY 44 -27.376 6.930 18.337 348 HA2 GLY 44 HA2 GLY 44 -28.777 5.683 16.927 349 HA3 GLY 44 HA3 GLY 44 -29.788 5.653 18.372 350 H GLN 45 H GLN 45 -31.845 6.372 18.125 351 HA GLN 45 HA GLN 45 -32.793 7.449 15.668 352 HB2 GLN 45 HB2 GLN 45 -33.351 5.211 17.037 353 HB3 GLN 45 HB3 GLN 45 -34.366 6.322 17.980 354 HG2 GLN 45 HG2 GLN 45 -35.922 5.518 16.412 355 HG3 GLN 45 HG3 GLN 45 -35.447 7.038 15.613 356 HE21 GLN 45 HE21 GLN 45 -36.421 4.539 14.306 357 HE22 GLN 45 HE22 GLN 45 -35.225 4.223 13.078 358 H ASP 46 H ASP 46 -31.778 8.620 18.803 359 HA ASP 46 HA ASP 46 -33.913 10.664 18.863 360 HB2 ASP 46 HB2 ASP 46 -32.541 9.332 21.141 361 HB3 ASP 46 HB3 ASP 46 -33.205 10.953 21.304 362 H PHE 47 H PHE 47 -33.688 12.681 18.777 363 HA PHE 47 HA PHE 47 -30.948 13.725 18.328 364 HB2 PHE 47 HB2 PHE 47 -33.457 14.001 16.684 365 HB3 PHE 47 HB3 PHE 47 -32.076 15.062 16.496 366 HD1 PHE 47 HD2 PHE 47 -32.937 11.405 16.515 367 HD2 PHE 47 HD1 PHE 47 -30.437 14.496 14.898 368 HE1 PHE 47 HE2 PHE 47 -31.743 9.714 15.152 369 HE2 PHE 47 HE1 PHE 47 -29.249 12.789 13.512 370 HZ PHE 47 HZ PHE 47 -29.902 10.399 13.657 371 H THR 48 H THR 48 -30.282 15.419 19.448 372 HA THR 48 HA THR 48 -32.304 17.546 20.037 373 HB THR 48 HB THR 48 -29.724 17.052 21.532 374 HG1 THR 48 HG1 THR 48 -31.473 15.662 22.005 375 HG21 THR 48 HG21 THR 48 -30.661 18.793 23.064 376 HG22 THR 48 HG22 THR 48 -31.929 19.134 21.861 377 HG23 THR 48 HG23 THR 48 -30.221 19.460 21.483 378 H TRP 49 H TRP 49 -32.297 18.941 18.601 379 HA TRP 49 HA TRP 49 -29.828 20.206 17.516 380 HB2 TRP 49 HB2 TRP 49 -31.223 19.246 15.839 381 HB3 TRP 49 HB3 TRP 49 -32.689 19.809 16.584 382 HD1 TRP 49 HD1 TRP 49 -32.222 22.972 16.581 383 HE1 TRP 49 HE1 TRP 49 -32.486 24.166 14.330 384 HE3 TRP 49 HE3 TRP 49 -31.594 18.991 13.472 385 HZ2 TRP 49 HZ2 TRP 49 -32.450 23.495 11.539 386 HZ3 TRP 49 HZ3 TRP 49 -31.602 19.318 11.028 387 HH2 TRP 49 HH2 TRP 49 -32.106 21.543 10.047 388 H SER 50 H SER 50 -29.334 21.861 19.156 389 HA SER 50 HA SER 50 -31.569 23.546 19.928 390 HB2 SER 50 HB2 SER 50 -29.201 22.593 21.656 391 HB3 SER 50 HB3 SER 50 -30.345 24.021 22.098 392 HG SER 50 HG SER 50 -30.714 21.870 22.932 393 H GLN 51 H GLN 51 -31.451 25.590 19.455 394 HA GLN 51 HA GLN 51 -28.959 26.595 18.312 395 HB2 GLN 51 HB2 GLN 51 -31.658 27.466 17.553 396 HB3 GLN 51 HB3 GLN 51 -30.072 27.801 16.640 397 HG2 GLN 51 HG2 GLN 51 -29.955 25.572 15.830 398 HG3 GLN 51 HG3 GLN 51 -31.227 25.014 17.014 399 HE21 GLN 51 HE21 GLN 51 -33.547 25.659 16.636 400 HE22 GLN 51 HE22 GLN 51 -34.004 25.982 14.973 401 H HIS 52 H HIS 52 -28.581 28.884 18.491 402 HA HIS 52 HA HIS 52 -30.271 30.373 20.475 403 HB2 HIS 52 HB2 HIS 52 -27.238 30.424 20.512 404 HB3 HIS 52 HB3 HIS 52 -28.330 31.241 21.613 405 HD1 HIS 52 HD1 HIS 52 -29.794 29.471 23.306 406 HD2 HIS 52 HD2 HIS 52 -26.458 27.978 21.172 407 HE1 HIS 52 HE1 HIS 52 -29.030 27.311 24.505 408 H TYR 53 H TYR 53 -30.780 32.397 19.956 409 HA TYR 53 HA TYR 53 -29.643 33.748 17.590 410 HB2 TYR 53 HB2 TYR 53 -31.022 35.063 19.954 411 HB3 TYR 53 HB3 TYR 53 -30.820 35.707 18.338 412 HD1 TYR 53 HD1 TYR 53 -31.952 32.729 17.235 413 HD2 TYR 53 HD2 TYR 53 -33.288 35.978 19.744 414 HE1 TYR 53 HE1 TYR 53 -34.320 32.184 16.720 415 HE2 TYR 53 HE2 TYR 53 -35.657 35.427 19.183 416 HH TYR 53 HH TYR 53 -37.028 34.144 17.858 417 H SER 54 H SER 54 -27.580 34.846 17.664 418 HA SER 54 HA SER 54 -26.046 35.355 19.972 419 HB2 SER 54 HB2 SER 54 -26.227 36.589 17.226 420 HB3 SER 54 HB3 SER 54 -24.768 36.704 18.322 421 HG SER 54 HG SER 54 -24.744 34.328 18.165 422 H GLY 55 H GLY 55 -26.962 36.291 21.550 423 HA2 GLY 55 HA2 GLY 55 -27.187 38.546 22.301 424 HA3 GLY 55 HA3 GLY 55 -28.554 38.664 21.056 425 H GLY 56 H GLY 56 -28.811 35.740 22.233 426 HA2 GLY 56 HA2 GLY 56 -29.229 34.846 24.430 427 HA3 GLY 56 HA3 GLY 56 -29.763 36.424 24.985 428 H HIS 57 H HIS 57 -30.717 33.461 23.437 429 HA HIS 57 HA HIS 57 -33.114 33.075 24.297 430 HB2 HIS 57 HB2 HIS 57 -34.181 35.041 23.104 431 HB3 HIS 57 HB3 HIS 57 -33.388 34.642 21.659 432 HD1 HIS 57 HD1 HIS 57 -34.877 32.966 20.257 433 HD2 HIS 57 HD2 HIS 57 -36.143 33.326 24.194 434 HE1 HIS 57 HE1 HIS 57 -37.219 31.931 20.386 435 H THR 58 H THR 58 -33.800 31.079 23.910 436 HA THR 58 HA THR 58 -32.127 29.734 21.932 437 HB THR 58 HB THR 58 -33.377 28.738 24.471 438 HG1 THR 58 HG1 THR 58 -31.350 29.142 25.321 439 HG21 THR 58 HG21 THR 58 -31.495 26.992 24.378 440 HG22 THR 58 HG22 THR 58 -31.284 27.468 22.623 441 HG23 THR 58 HG23 THR 58 -32.804 26.784 23.333 442 H MET 59 H MET 59 -32.901 28.259 20.448 443 HA MET 59 HA MET 59 -35.819 27.638 20.550 444 HB2 MET 59 HB2 MET 59 -34.271 27.418 18.042 445 HB3 MET 59 HB3 MET 59 -35.962 27.693 18.359 446 HG2 MET 59 HG2 MET 59 -35.318 29.723 17.476 447 HG3 MET 59 HG3 MET 59 -34.976 30.172 19.214 448 HE1 MET 59 HE1 MET 59 -32.490 30.421 15.439 449 HE2 MET 59 HE2 MET 59 -34.146 29.642 15.596 450 HE3 MET 59 HE3 MET 59 -32.678 28.651 15.720 451 H THR 60 H THR 60 -35.912 25.577 21.353 452 HA THR 60 HA THR 60 -33.720 23.759 20.506 453 HB THR 60 HB THR 60 -33.790 22.394 22.266 454 HG1 THR 60 HG1 THR 60 -36.292 22.754 22.326 455 HG21 THR 60 HG21 THR 60 -32.790 24.539 22.945 456 HG22 THR 60 HG22 THR 60 -33.524 23.670 24.306 457 HG23 THR 60 HG23 THR 60 -34.374 25.060 23.599 458 H ASN 61 H ASN 61 -34.022 22.130 19.274 459 HA ASN 61 HA ASN 61 -36.793 21.275 18.644 460 HB2 ASN 61 HB2 ASN 61 -34.315 21.435 16.868 461 HB3 ASN 61 HB3 ASN 61 -35.942 21.038 16.356 462 HD21 ASN 61 HD21 ASN 61 -37.209 22.743 15.639 463 HD22 ASN 61 HD22 ASN 61 -36.962 24.407 16.169 464 H LYS 62 H LYS 62 -37.077 19.417 19.694 465 HA LYS 62 HA LYS 62 -34.948 17.311 19.698 466 HB2 LYS 62 HB2 LYS 62 -37.432 17.648 21.420 467 HB3 LYS 62 HB3 LYS 62 -36.658 16.083 21.162 468 HG2 LYS 62 HG2 LYS 62 -35.864 16.952 23.217 469 HG3 LYS 62 HG3 LYS 62 -34.527 16.929 22.068 470 HD2 LYS 62 HD2 LYS 62 -34.664 19.343 21.748 471 HD3 LYS 62 HD3 LYS 62 -36.141 19.442 22.714 472 HE2 LYS 62 HE2 LYS 62 -33.382 18.584 23.687 473 HE3 LYS 62 HE3 LYS 62 -34.096 20.190 23.918 474 HZ1 LYS 62 HZ1 LYS 62 -34.403 18.788 25.881 475 HZ2 LYS 62 HZ2 LYS 62 -35.198 17.657 24.992 476 HZ3 LYS 62 HZ3 LYS 62 -35.865 19.143 25.208 477 H PHE 63 H PHE 63 -35.424 15.376 18.722 478 HA PHE 63 HA PHE 63 -38.067 14.736 17.908 479 HB2 PHE 63 HB2 PHE 63 -37.696 14.408 15.489 480 HB3 PHE 63 HB3 PHE 63 -37.752 16.075 15.973 481 HD1 PHE 63 HD1 PHE 63 -35.508 17.383 16.244 482 HD2 PHE 63 HD2 PHE 63 -35.854 13.563 14.270 483 HE1 PHE 63 HE1 PHE 63 -33.361 17.793 15.081 484 HE2 PHE 63 HE2 PHE 63 -33.720 13.979 13.106 485 HZ PHE 63 HZ PHE 63 -32.467 16.100 13.494 486 H THR 64 H THR 64 -38.014 12.630 16.643 487 HA THR 64 HA THR 64 -35.805 10.822 17.477 488 HB THR 64 HB THR 64 -38.837 10.299 17.666 489 HG1 THR 64 HG1 THR 64 -36.783 9.838 19.505 490 HG21 THR 64 HG21 THR 64 -36.539 8.172 17.912 491 HG22 THR 64 HG22 THR 64 -37.859 8.223 16.640 492 HG23 THR 64 HG23 THR 64 -38.189 7.997 18.434 493 H VAL 65 H VAL 65 -34.951 10.315 15.539 494 HA VAL 65 HA VAL 65 -36.309 11.159 13.131 495 HB VAL 65 HB VAL 65 -33.781 11.137 13.529 496 HG11 VAL 65 HG11 VAL 65 -32.569 9.212 12.727 497 HG12 VAL 65 HG12 VAL 65 -34.059 8.350 12.301 498 HG13 VAL 65 HG13 VAL 65 -33.660 8.652 13.999 499 HG21 VAL 65 HG21 VAL 65 -34.864 10.178 10.859 500 HG22 VAL 65 HG22 VAL 65 -33.400 11.133 11.182 501 HG23 VAL 65 HG23 VAL 65 -34.978 11.848 11.474 502 H GLY 66 H GLY 66 -37.140 9.943 11.481 503 HA2 GLY 66 HA2 GLY 66 -38.170 8.194 10.586 504 HA3 GLY 66 HA3 GLY 66 -37.791 7.125 12.066 505 H LYS 67 H LYS 67 -39.048 9.822 13.333 506 HA LYS 67 HA LYS 67 -41.679 8.487 13.617 507 HB2 LYS 67 HB2 LYS 67 -40.295 8.095 15.486 508 HB3 LYS 67 HB3 LYS 67 -40.142 9.875 15.812 509 HG2 LYS 67 HG2 LYS 67 -42.461 10.161 16.334 510 HG3 LYS 67 HG3 LYS 67 -42.771 8.401 15.943 511 HD2 LYS 67 HD2 LYS 67 -41.226 7.811 17.861 512 HD3 LYS 67 HD3 LYS 67 -41.133 9.658 18.182 513 HE2 LYS 67 HE2 LYS 67 -43.511 9.616 18.772 514 HE3 LYS 67 HE3 LYS 67 -43.569 7.897 18.066 515 HZ1 LYS 67 HZ1 LYS 67 -42.133 7.324 19.893 516 HZ2 LYS 67 HZ2 LYS 67 -43.555 7.928 20.525 517 HZ3 LYS 67 HZ3 LYS 67 -42.200 8.821 20.603 518 H GLU 68 H GLU 68 -43.385 9.644 13.185 519 HA GLU 68 HA GLU 68 -43.460 12.405 12.705 520 HB2 GLU 68 HB2 GLU 68 -44.935 10.320 11.873 521 HB3 GLU 68 HB3 GLU 68 -45.929 10.674 13.243 522 HG2 GLU 68 HG2 GLU 68 -46.273 13.046 12.357 523 HG3 GLU 68 HG3 GLU 68 -45.184 12.762 10.984 524 H SER 69 H SER 69 -44.753 13.863 13.528 525 HA SER 69 HA SER 69 -45.785 15.206 14.959 526 HB2 SER 69 HB2 SER 69 -46.640 12.611 16.226 527 HB3 SER 69 HB3 SER 69 -47.333 14.185 16.595 528 HG SER 69 HG SER 69 -47.493 12.662 14.243 529 H ASN 70 H ASN 70 -42.861 14.432 15.868 530 HA ASN 70 HA ASN 70 -43.211 15.609 18.726 531 HB2 ASN 70 HB2 ASN 70 -41.477 13.459 17.652 532 HB3 ASN 70 HB3 ASN 70 -41.047 14.335 19.123 533 HD21 ASN 70 HD21 ASN 70 -41.965 13.728 21.083 534 HD22 ASN 70 HD22 ASN 70 -43.027 12.362 21.198 535 H ILE 71 H ILE 71 -42.861 17.025 16.146 536 HA ILE 71 HA ILE 71 -40.009 17.649 16.209 537 HB ILE 71 HB ILE 71 -41.942 17.704 13.801 538 HG12 ILE 71 HG12 ILE 71 -40.126 15.262 13.810 539 HG13 ILE 71 HG13 ILE 71 -41.379 15.154 15.069 540 HG21 ILE 71 HG21 ILE 71 -39.891 17.299 12.473 541 HG22 ILE 71 HG22 ILE 71 -39.008 17.076 13.946 542 HG23 ILE 71 HG23 ILE 71 -39.627 18.778 13.420 543 HD11 ILE 71 HD11 ILE 71 -41.823 15.689 12.133 544 HD12 ILE 71 HD12 ILE 71 -43.039 15.840 13.499 545 HD13 ILE 71 HD13 ILE 71 -42.277 14.241 13.017 546 H GLN 72 H GLN 72 -39.335 19.749 16.309 547 HA GLN 72 HA GLN 72 -41.571 21.714 16.116 548 HB2 GLN 72 HB2 GLN 72 -39.185 21.725 17.979 549 HB3 GLN 72 HB3 GLN 72 -40.186 23.117 17.798 550 HG2 GLN 72 HG2 GLN 72 -40.718 22.155 19.818 551 HG3 GLN 72 HG3 GLN 72 -42.177 21.974 18.761 552 HE21 GLN 72 HE21 GLN 72 -42.838 19.702 18.733 553 HE22 GLN 72 HE22 GLN 72 -41.820 18.365 19.335 554 H THR 73 H THR 73 -41.147 23.791 15.473 555 HA THR 73 HA THR 73 -39.156 24.315 13.435 556 HB THR 73 HB THR 73 -40.389 26.304 12.979 557 HG1 THR 73 HG1 THR 73 -41.972 27.070 14.256 558 HG21 THR 73 HG21 THR 73 -41.382 24.478 11.883 559 HG22 THR 73 HG22 THR 73 -42.713 25.412 12.580 560 HG23 THR 73 HG23 THR 73 -42.179 23.890 13.327 561 H MET 74 H MET 74 -38.462 26.812 13.332 562 HA MET 74 HA MET 74 -36.640 27.527 15.417 563 HB2 MET 74 HB2 MET 74 -38.113 29.319 13.418 564 HB3 MET 74 HB3 MET 74 -36.716 29.790 14.388 565 HG2 MET 74 HG2 MET 74 -36.783 27.716 12.189 566 HG3 MET 74 HG3 MET 74 -36.012 29.296 12.142 567 HE1 MET 74 HE1 MET 74 -32.772 27.296 12.071 568 HE2 MET 74 HE2 MET 74 -33.808 28.537 11.326 569 HE3 MET 74 HE3 MET 74 -34.231 26.812 11.210 570 H GLY 75 H GLY 75 -40.098 28.237 14.992 571 HA2 GLY 75 HA2 GLY 75 -40.331 30.149 17.084 572 HA3 GLY 75 HA3 GLY 75 -41.611 29.390 16.187 573 H GLY 76 H GLY 76 -40.057 26.794 17.003 574 HA2 GLY 76 HA2 GLY 76 -40.221 25.334 18.716 575 HA3 GLY 76 HA3 GLY 76 -41.362 26.537 19.613 576 H LYS 77 H LYS 77 -42.343 26.076 16.433 577 HA LYS 77 HA LYS 77 -44.834 25.075 17.536 578 HB2 LYS 77 HB2 LYS 77 -44.803 26.943 15.941 579 HB3 LYS 77 HB3 LYS 77 -44.223 25.988 14.660 580 HG2 LYS 77 HG2 LYS 77 -46.391 24.445 15.135 581 HG3 LYS 77 HG3 LYS 77 -46.907 25.775 16.225 582 HD2 LYS 77 HD2 LYS 77 -46.299 25.879 13.275 583 HD3 LYS 77 HD3 LYS 77 -47.912 26.059 14.003 584 HE2 LYS 77 HE2 LYS 77 -47.740 28.257 13.747 585 HE3 LYS 77 HE3 LYS 77 -46.851 28.027 15.277 586 HZ1 LYS 77 HZ1 LYS 77 -45.360 28.130 12.659 587 HZ2 LYS 77 HZ2 LYS 77 -44.758 28.324 14.161 588 HZ3 LYS 77 HZ3 LYS 77 -45.785 29.448 13.500 589 H THR 78 H THR 78 -45.179 23.078 17.694 590 HA THR 78 HA THR 78 -43.681 20.922 16.631 591 HB THR 78 HB THR 78 -46.332 20.932 18.021 592 HG1 THR 78 HG1 THR 78 -44.984 20.301 19.690 593 HG21 THR 78 HG21 THR 78 -45.947 18.685 16.797 594 HG22 THR 78 HG22 THR 78 -45.609 18.383 18.469 595 HG23 THR 78 HG23 THR 78 -44.228 18.750 17.239 596 H PHE 79 H PHE 79 -44.075 19.731 14.692 597 HA PHE 79 HA PHE 79 -46.768 19.792 13.569 598 HB2 PHE 79 HB2 PHE 79 -46.035 20.092 11.222 599 HB3 PHE 79 HB3 PHE 79 -46.023 21.480 12.272 600 HD1 PHE 79 HD1 PHE 79 -43.106 19.226 12.580 601 HD2 PHE 79 HD2 PHE 79 -44.784 22.599 10.474 602 HE1 PHE 79 HE1 PHE 79 -40.905 19.701 11.570 603 HE2 PHE 79 HE2 PHE 79 -42.574 23.057 9.455 604 HZ PHE 79 HZ PHE 79 -40.647 21.581 9.964 605 H LYS 80 H LYS 80 -46.735 18.289 11.424 606 HA LYS 80 HA LYS 80 -45.918 15.616 12.523 607 HB2 LYS 80 HB2 LYS 80 -48.417 16.227 10.910 608 HB3 LYS 80 HB3 LYS 80 -47.990 14.724 11.722 609 HG2 LYS 80 HG2 LYS 80 -48.286 15.871 13.929 610 HG3 LYS 80 HG3 LYS 80 -48.719 17.369 13.077 611 HD2 LYS 80 HD2 LYS 80 -50.565 16.132 11.912 612 HD3 LYS 80 HD3 LYS 80 -50.194 14.709 12.905 613 HE2 LYS 80 HE2 LYS 80 -50.666 16.027 14.956 614 HE3 LYS 80 HE3 LYS 80 -51.000 17.458 13.967 615 HZ1 LYS 80 HZ1 LYS 80 -53.053 16.295 14.564 616 HZ2 LYS 80 HZ2 LYS 80 -52.525 14.913 13.846 617 HZ3 LYS 80 HZ3 LYS 80 -52.833 16.238 12.937 618 H ALA 81 H ALA 81 -44.198 15.086 11.208 619 HA ALA 81 HA ALA 81 -44.905 14.041 8.762 620 HB1 ALA 81 HB1 ALA 81 -44.454 16.360 7.818 621 HB2 ALA 81 HB2 ALA 81 -43.337 15.176 7.152 622 HB3 ALA 81 HB3 ALA 81 -42.776 16.379 8.414 623 H THR 82 H THR 82 -43.156 12.615 7.822 624 HA THR 82 HA THR 82 -41.780 11.428 10.188 625 HB THR 82 HB THR 82 -42.111 10.339 7.380 626 HG1 THR 82 HG1 THR 82 -44.054 10.426 8.579 627 HG21 THR 82 HG21 THR 82 -41.116 9.038 9.953 628 HG22 THR 82 HG22 THR 82 -40.121 9.359 8.511 629 HG23 THR 82 HG23 THR 82 -41.453 8.193 8.432 630 H VAL 83 H VAL 83 -39.901 12.525 10.651 631 HA VAL 83 HA VAL 83 -38.226 13.514 8.550 632 HB VAL 83 HB VAL 83 -37.357 12.892 11.472 633 HG11 VAL 83 HG11 VAL 83 -35.725 14.434 11.215 634 HG12 VAL 83 HG12 VAL 83 -36.484 15.185 9.784 635 HG13 VAL 83 HG13 VAL 83 -35.558 13.563 9.732 636 HG21 VAL 83 HG21 VAL 83 -39.603 14.183 11.619 637 HG22 VAL 83 HG22 VAL 83 -39.049 15.158 10.268 638 HG23 VAL 83 HG23 VAL 83 -38.172 15.337 11.817 639 H GLN 84 H GLN 84 -36.369 12.574 7.608 640 HA GLN 84 HA GLN 84 -35.781 9.718 8.293 641 HB2 GLN 84 HB2 GLN 84 -36.054 9.127 5.929 642 HB3 GLN 84 HB3 GLN 84 -37.523 9.741 6.667 643 HG2 GLN 84 HG2 GLN 84 -36.599 12.068 5.588 644 HG3 GLN 84 HG3 GLN 84 -35.842 10.927 4.491 645 HE21 GLN 84 HE21 GLN 84 -39.150 11.463 6.010 646 HE22 GLN 84 HE22 GLN 84 -39.933 10.866 4.553 647 H MET 85 H MET 85 -33.883 8.790 7.055 648 HA MET 85 HA MET 85 -31.646 10.726 7.249 649 HB2 MET 85 HB2 MET 85 -31.826 7.966 8.426 650 HB3 MET 85 HB3 MET 85 -30.293 8.802 8.154 651 HG2 MET 85 HG2 MET 85 -31.352 10.800 9.383 652 HG3 MET 85 HG3 MET 85 -32.523 9.608 9.966 653 HE1 MET 85 HE1 MET 85 -28.019 9.861 11.056 654 HE2 MET 85 HE2 MET 85 -28.937 11.097 10.166 655 HE3 MET 85 HE3 MET 85 -28.519 9.555 9.381 656 H GLU 86 H GLU 86 -32.072 10.841 4.824 657 HA GLU 86 HA GLU 86 -31.308 8.623 3.147 658 HB2 GLU 86 HB2 GLU 86 -31.715 11.606 2.689 659 HB3 GLU 86 HB3 GLU 86 -31.295 10.502 1.379 660 HG2 GLU 86 HG2 GLU 86 -33.772 10.318 3.164 661 HG3 GLU 86 HG3 GLU 86 -33.731 10.905 1.505 662 H GLY 87 H GLY 87 -29.035 7.796 3.642 663 HA2 GLY 87 HA2 GLY 87 -27.066 7.620 3.382 664 HA3 GLY 87 HA3 GLY 87 -26.947 9.116 2.265 665 H GLY 88 H GLY 88 -28.241 9.484 5.332 666 HA2 GLY 88 HA2 GLY 88 -27.024 9.976 7.415 667 HA3 GLY 88 HA3 GLY 88 -25.738 10.696 6.444 668 H LYS 89 H LYS 89 -28.275 11.796 4.822 669 HA LYS 89 HA LYS 89 -28.312 14.470 5.870 670 HB2 LYS 89 HB2 LYS 89 -30.238 13.111 3.958 671 HB3 LYS 89 HB3 LYS 89 -30.069 14.849 4.157 672 HG2 LYS 89 HG2 LYS 89 -27.997 14.905 3.027 673 HG3 LYS 89 HG3 LYS 89 -27.766 13.152 3.130 674 HD2 LYS 89 HD2 LYS 89 -30.008 13.017 1.760 675 HD3 LYS 89 HD3 LYS 89 -29.699 14.711 1.378 676 HE2 LYS 89 HE2 LYS 89 -27.803 12.388 0.844 677 HE3 LYS 89 HE3 LYS 89 -28.952 13.032 -0.338 678 HZ1 LYS 89 HZ1 LYS 89 -26.667 14.465 0.877 679 HZ2 LYS 89 HZ2 LYS 89 -27.720 15.260 0.037 680 HZ3 LYS 89 HZ3 LYS 89 -26.794 14.079 -0.691 681 H LEU 90 H LEU 90 -29.928 15.481 7.248 682 HA LEU 90 HA LEU 90 -32.344 13.848 8.018 683 HB2 LEU 90 HB2 LEU 90 -31.229 16.307 9.362 684 HB3 LEU 90 HB3 LEU 90 -32.705 15.413 9.830 685 HG LEU 90 HG LEU 90 -29.990 13.978 9.559 686 HD11 LEU 90 HD11 LEU 90 -29.850 14.359 12.083 687 HD12 LEU 90 HD12 LEU 90 -30.955 15.764 11.868 688 HD13 LEU 90 HD13 LEU 90 -29.360 15.831 11.120 689 HD21 LEU 90 HD21 LEU 90 -32.181 12.832 9.786 690 HD22 LEU 90 HD22 LEU 90 -32.433 13.488 11.496 691 HD23 LEU 90 HD23 LEU 90 -31.046 12.415 10.998 692 H VAL 91 H VAL 91 -34.194 14.000 6.965 693 HA VAL 91 HA VAL 91 -34.842 16.545 5.510 694 HB VAL 91 HB VAL 91 -34.081 15.455 3.741 695 HG11 VAL 91 HG11 VAL 91 -33.792 13.044 3.365 696 HG12 VAL 91 HG12 VAL 91 -34.466 12.749 4.977 697 HG13 VAL 91 HG13 VAL 91 -32.947 13.637 4.791 698 HG21 VAL 91 HG21 VAL 91 -36.475 15.458 3.199 699 HG22 VAL 91 HG22 VAL 91 -36.622 13.804 3.852 700 HG23 VAL 91 HG23 VAL 91 -35.624 14.115 2.431 701 H VAL 92 H VAL 92 -36.916 17.108 5.230 702 HA VAL 92 HA VAL 92 -39.059 15.187 5.990 703 HB VAL 92 HB VAL 92 -40.613 17.155 6.337 704 HG11 VAL 92 HG11 VAL 92 -39.981 17.433 8.722 705 HG12 VAL 92 HG12 VAL 92 -38.559 16.410 8.348 706 HG13 VAL 92 HG13 VAL 92 -40.178 15.787 8.110 707 HG21 VAL 92 HG21 VAL 92 -38.077 18.776 6.335 708 HG22 VAL 92 HG22 VAL 92 -39.514 19.269 7.260 709 HG23 VAL 92 HG23 VAL 92 -39.598 19.045 5.508 710 H ASN 93 H ASN 93 -40.897 15.477 4.776 711 HA ASN 93 HA ASN 93 -40.824 17.342 2.490 712 HB2 ASN 93 HB2 ASN 93 -41.913 14.502 2.347 713 HB3 ASN 93 HB3 ASN 93 -41.923 15.696 1.050 714 HD21 ASN 93 HD21 ASN 93 -40.495 12.905 1.666 715 HD22 ASN 93 HD22 ASN 93 -38.891 13.242 1.062 716 H PHE 94 H PHE 94 -42.574 18.500 2.356 717 HA PHE 94 HA PHE 94 -45.151 17.872 3.633 718 HB2 PHE 94 HB2 PHE 94 -43.532 20.414 3.854 719 HB3 PHE 94 HB3 PHE 94 -45.242 20.424 4.108 720 HD1 PHE 94 HD2 PHE 94 -46.294 19.228 6.028 721 HD2 PHE 94 HD1 PHE 94 -42.030 19.616 5.588 722 HE1 PHE 94 HE2 PHE 94 -46.013 18.829 8.459 723 HE2 PHE 94 HE1 PHE 94 -41.753 19.238 8.041 724 HZ PHE 94 HZ PHE 94 -43.739 18.862 9.470 725 HA PRO 95 HA PRO 95 -46.983 19.241 -0.161 726 HB2 PRO 95 HB2 PRO 95 -48.345 21.513 1.307 727 HB3 PRO 95 HB3 PRO 95 -49.024 20.417 0.060 728 HG2 PRO 95 HG2 PRO 95 -49.515 19.895 2.655 729 HG3 PRO 95 HG3 PRO 95 -48.983 18.550 1.591 730 HD2 PRO 95 HD2 PRO 95 -47.335 20.186 3.530 731 HD3 PRO 95 HD3 PRO 95 -47.341 18.414 3.279 732 H ASN 96 H ASN 96 -45.749 22.300 1.538 733 HA ASN 96 HA ASN 96 -44.608 23.129 -1.043 734 HB2 ASN 96 HB2 ASN 96 -44.345 25.365 0.341 735 HB3 ASN 96 HB3 ASN 96 -45.947 24.892 -0.269 736 HD21 ASN 96 HD21 ASN 96 -46.904 26.280 1.537 737 HD22 ASN 96 HD22 ASN 96 -46.890 25.540 3.134 738 H TYR 97 H TYR 97 -43.783 22.250 2.419 739 HA TYR 97 HA TYR 97 -41.147 23.326 1.990 740 HB2 TYR 97 HB2 TYR 97 -42.555 23.676 4.160 741 HB3 TYR 97 HB3 TYR 97 -42.172 21.963 4.514 742 HD1 TYR 97 HD1 TYR 97 -39.907 24.802 3.403 743 HD2 TYR 97 HD2 TYR 97 -40.608 21.487 6.086 744 HE1 TYR 97 HE1 TYR 97 -37.608 24.865 4.167 745 HE2 TYR 97 HE2 TYR 97 -38.332 21.668 6.921 746 HH TYR 97 HH TYR 97 -36.106 23.013 6.335 747 H HIS 98 H HIS 98 -39.327 22.305 1.830 748 HA HIS 98 HA HIS 98 -39.009 19.459 2.547 749 HB2 HIS 98 HB2 HIS 98 -39.356 19.244 0.164 750 HB3 HIS 98 HB3 HIS 98 -38.335 20.639 -0.178 751 HD1 HIS 98 HD1 HIS 98 -37.952 16.970 1.050 752 HD2 HIS 98 HD2 HIS 98 -35.727 20.260 -0.427 753 HE1 HIS 98 HE1 HIS 98 -35.531 16.150 0.770 754 H GLN 99 H GLN 99 -36.907 18.974 3.231 755 HA GLN 99 HA GLN 99 -34.767 20.620 2.284 756 HB2 GLN 99 HB2 GLN 99 -33.739 21.381 4.182 757 HB3 GLN 99 HB3 GLN 99 -35.421 21.778 4.485 758 HG2 GLN 99 HG2 GLN 99 -35.556 19.866 6.063 759 HG3 GLN 99 HG3 GLN 99 -33.882 19.405 5.702 760 HE21 GLN 99 HE21 GLN 99 -32.466 20.138 7.353 761 HE22 GLN 99 HE22 GLN 99 -32.643 21.748 8.036 762 H THR 100 H THR 100 -32.561 19.803 3.136 763 HA THR 100 HA THR 100 -32.373 17.032 4.217 764 HB THR 100 HB THR 100 -30.449 16.860 2.321 765 HG1 THR 100 HG1 THR 100 -31.004 18.838 1.364 766 HG21 THR 100 HG21 THR 100 -32.170 15.158 2.505 767 HG22 THR 100 HG22 THR 100 -31.940 15.612 0.808 768 HG23 THR 100 HG23 THR 100 -33.349 16.221 1.692 769 H SER 101 H SER 101 -30.555 17.169 5.714 770 HA SER 101 HA SER 101 -28.373 19.037 4.956 771 HB2 SER 101 HB2 SER 101 -28.359 20.061 7.156 772 HB3 SER 101 HB3 SER 101 -29.854 20.351 6.277 773 HG SER 101 HG SER 101 -30.086 19.795 8.530 774 H GLU 102 H GLU 102 -26.379 18.662 5.590 775 HA GLU 102 HA GLU 102 -25.675 16.033 6.751 776 HB2 GLU 102 HB2 GLU 102 -24.640 15.297 4.662 777 HB3 GLU 102 HB3 GLU 102 -26.386 15.443 4.598 778 HG2 GLU 102 HG2 GLU 102 -25.996 17.759 3.475 779 HG3 GLU 102 HG3 GLU 102 -24.321 17.234 3.282 780 H ILE 103 H ILE 103 -23.543 15.635 7.078 781 HA ILE 103 HA ILE 103 -21.738 17.874 7.678 782 HB ILE 103 HB ILE 103 -21.491 14.844 7.749 783 HG12 ILE 103 HG12 ILE 103 -22.842 15.950 9.545 784 HG13 ILE 103 HG13 ILE 103 -21.539 14.912 10.079 785 HG21 ILE 103 HG21 ILE 103 -19.306 15.139 8.957 786 HG22 ILE 103 HG22 ILE 103 -19.303 16.840 8.426 787 HG23 ILE 103 HG23 ILE 103 -19.258 15.515 7.241 788 HD11 ILE 103 HD11 ILE 103 -20.166 16.796 10.734 789 HD12 ILE 103 HD12 ILE 103 -21.778 17.003 11.422 790 HD13 ILE 103 HD13 ILE 103 -21.296 17.948 9.994 791 H VAL 104 H VAL 104 -20.057 18.642 6.321 792 HA VAL 104 HA VAL 104 -19.068 16.788 4.341 793 HB VAL 104 HB VAL 104 -19.677 19.747 4.035 794 HG11 VAL 104 HG11 VAL 104 -18.199 19.845 1.943 795 HG12 VAL 104 HG12 VAL 104 -17.834 18.132 1.934 796 HG13 VAL 104 HG13 VAL 104 -17.242 19.263 3.202 797 HG21 VAL 104 HG21 VAL 104 -21.463 18.101 3.383 798 HG22 VAL 104 HG22 VAL 104 -20.469 17.306 2.177 799 HG23 VAL 104 HG23 VAL 104 -21.007 18.933 1.944 800 H GLY 105 H GLY 105 -17.398 16.184 5.509 801 HA2 GLY 105 HA2 GLY 105 -15.291 16.204 6.376 802 HA3 GLY 105 HA3 GLY 105 -15.101 17.899 5.799 803 H ASP 106 H ASP 106 -15.138 19.447 7.276 804 HA ASP 106 HA ASP 106 -15.841 18.972 10.125 805 HB2 ASP 106 HB2 ASP 106 -14.275 21.236 8.805 806 HB3 ASP 106 HB3 ASP 106 -14.543 21.051 10.538 807 H LYS 107 H LYS 107 -17.223 20.249 7.390 808 HA LYS 107 HA LYS 107 -18.591 22.533 8.750 809 HB2 LYS 107 HB2 LYS 107 -18.003 22.103 5.792 810 HB3 LYS 107 HB3 LYS 107 -19.194 23.238 6.402 811 HG2 LYS 107 HG2 LYS 107 -17.379 24.608 6.074 812 HG3 LYS 107 HG3 LYS 107 -17.373 24.321 7.805 813 HD2 LYS 107 HD2 LYS 107 -15.116 24.294 6.976 814 HD3 LYS 107 HD3 LYS 107 -15.521 22.662 7.494 815 HE2 LYS 107 HE2 LYS 107 -15.966 22.016 5.133 816 HE3 LYS 107 HE3 LYS 107 -15.624 23.670 4.617 817 HZ1 LYS 107 HZ1 LYS 107 -13.686 22.241 4.328 818 HZ2 LYS 107 HZ2 LYS 107 -13.655 21.863 5.925 819 HZ3 LYS 107 HZ3 LYS 107 -13.353 23.397 5.441 820 H LEU 108 H LEU 108 -20.816 22.814 8.165 821 HA LEU 108 HA LEU 108 -22.227 20.225 7.711 822 HB2 LEU 108 HB2 LEU 108 -21.543 20.448 10.033 823 HB3 LEU 108 HB3 LEU 108 -22.281 22.041 10.159 824 HG LEU 108 HG LEU 108 -24.457 21.195 10.184 825 HD11 LEU 108 HD11 LEU 108 -25.041 18.830 9.693 826 HD12 LEU 108 HD12 LEU 108 -23.367 18.521 9.194 827 HD13 LEU 108 HD13 LEU 108 -24.416 19.639 8.292 828 HD21 LEU 108 HD21 LEU 108 -24.299 19.342 11.943 829 HD22 LEU 108 HD22 LEU 108 -23.281 20.746 12.253 830 HD23 LEU 108 HD23 LEU 108 -22.584 19.248 11.612 831 H VAL 109 H VAL 109 -23.585 20.610 6.030 832 HA VAL 109 HA VAL 109 -24.647 23.193 5.680 833 HB VAL 109 HB VAL 109 -23.020 22.711 3.835 834 HG11 VAL 109 HG11 VAL 109 -24.312 19.864 3.738 835 HG12 VAL 109 HG12 VAL 109 -22.600 20.330 4.135 836 HG13 VAL 109 HG13 VAL 109 -23.225 20.541 2.472 837 HG21 VAL 109 HG21 VAL 109 -24.492 22.472 1.785 838 HG22 VAL 109 HG22 VAL 109 -25.114 23.717 2.940 839 HG23 VAL 109 HG23 VAL 109 -25.766 22.029 2.899 840 H GLU 110 H GLU 110 -26.590 23.697 5.102 841 HA GLU 110 HA GLU 110 -28.543 21.458 4.786 842 HB2 GLU 110 HB2 GLU 110 -29.017 22.563 6.895 843 HB3 GLU 110 HB3 GLU 110 -28.965 24.145 6.106 844 HG2 GLU 110 HG2 GLU 110 -30.916 23.591 4.758 845 HG3 GLU 110 HG3 GLU 110 -31.022 21.992 5.498 846 H VAL 111 H VAL 111 -29.798 21.518 3.043 847 HA VAL 111 HA VAL 111 -30.246 24.095 1.703 848 HB VAL 111 HB VAL 111 -28.596 22.815 0.357 849 HG11 VAL 111 HG11 VAL 111 -29.324 20.955 -1.020 850 HG12 VAL 111 HG12 VAL 111 -30.937 20.965 -0.280 851 HG13 VAL 111 HG13 VAL 111 -29.507 20.523 0.686 852 HG21 VAL 111 HG21 VAL 111 -29.659 23.321 -1.762 853 HG22 VAL 111 HG22 VAL 111 -30.054 24.574 -0.583 854 HG23 VAL 111 HG23 VAL 111 -31.269 23.345 -1.001 855 H SER 112 H SER 112 -32.361 24.555 1.241 856 HA SER 112 HA SER 112 -34.437 22.602 2.031 857 HB2 SER 112 HB2 SER 112 -34.039 25.448 3.236 858 HB3 SER 112 HB3 SER 112 -35.346 24.353 3.726 859 HG SER 112 HG SER 112 -33.221 24.533 5.038 860 H THR 113 H THR 113 -36.491 23.416 1.331 861 HA THR 113 HA THR 113 -36.542 25.601 -0.586 862 HB THR 113 HB THR 113 -37.304 22.742 -1.146 863 HG1 THR 113 HG1 THR 113 -35.508 24.378 -2.593 864 HG21 THR 113 HG21 THR 113 -37.650 25.184 -3.159 865 HG22 THR 113 HG22 THR 113 -38.971 24.241 -2.309 866 HG23 THR 113 HG23 THR 113 -37.847 23.455 -3.490 867 H ILE 114 H ILE 114 -38.701 26.589 -0.646 868 HA ILE 114 HA ILE 114 -40.802 25.162 0.781 869 HB ILE 114 HB ILE 114 -40.348 28.131 0.714 870 HG12 ILE 114 HG12 ILE 114 -40.604 26.649 3.292 871 HG13 ILE 114 HG13 ILE 114 -39.164 26.601 2.430 872 HG21 ILE 114 HG21 ILE 114 -42.773 27.767 0.413 873 HG22 ILE 114 HG22 ILE 114 -42.478 28.338 2.116 874 HG23 ILE 114 HG23 ILE 114 -42.842 26.649 1.780 875 HD11 ILE 114 HD11 ILE 114 -39.328 29.384 2.431 876 HD12 ILE 114 HD12 ILE 114 -38.959 28.448 3.880 877 HD13 ILE 114 HD13 ILE 114 -40.672 29.133 3.517 878 H GLY 115 H GLY 115 -42.368 24.733 -0.945 879 HA2 GLY 115 HA2 GLY 115 -43.349 24.955 -2.857 880 HA3 GLY 115 HA3 GLY 115 -43.425 26.706 -2.442 881 H GLY 116 H GLY 116 -40.756 25.024 -3.333 882 HA2 GLY 116 HA2 GLY 116 -39.528 24.853 -5.500 883 HA3 GLY 116 HA3 GLY 116 -40.652 26.112 -6.108 884 H VAL 117 H VAL 117 -39.602 27.457 -3.287 885 HA VAL 117 HA VAL 117 -37.077 28.436 -4.656 886 HB VAL 117 HB VAL 117 -39.040 30.055 -4.017 887 HG11 VAL 117 HG11 VAL 117 -38.983 31.126 -2.113 888 HG12 VAL 117 HG12 VAL 117 -37.371 30.448 -1.532 889 HG13 VAL 117 HG13 VAL 117 -38.961 29.431 -1.532 890 HG21 VAL 117 HG21 VAL 117 -36.974 30.576 -5.184 891 HG22 VAL 117 HG22 VAL 117 -36.013 30.538 -3.552 892 HG23 VAL 117 HG23 VAL 117 -37.185 31.840 -3.841 893 H THR 118 H THR 118 -35.058 28.535 -3.663 894 HA THR 118 HA THR 118 -34.863 26.777 -1.336 895 HB THR 118 HB THR 118 -32.912 27.483 -3.670 896 HG1 THR 118 HG1 THR 118 -33.516 25.498 -4.683 897 HG21 THR 118 HG21 THR 118 -32.990 25.033 -1.804 898 HG22 THR 118 HG22 THR 118 -31.869 26.459 -1.646 899 HG23 THR 118 HG23 THR 118 -31.742 25.371 -3.009 900 H TYR 119 H TYR 119 -33.535 26.921 0.178 901 HA TYR 119 HA TYR 119 -31.768 29.258 0.300 902 HB2 TYR 119 HB2 TYR 119 -33.506 30.038 1.654 903 HB3 TYR 119 HB3 TYR 119 -33.658 28.490 2.469 904 HD1 TYR 119 HD1 TYR 119 -30.320 30.093 2.083 905 HD2 TYR 119 HD2 TYR 119 -33.726 29.547 4.639 906 HE1 TYR 119 HE1 TYR 119 -29.039 31.060 3.955 907 HE2 TYR 119 HE2 TYR 119 -32.469 30.665 6.493 908 HH TYR 119 HH TYR 119 -30.431 31.554 7.183 909 H GLU 120 H GLU 120 -29.658 28.821 1.134 910 HA GLU 120 HA GLU 120 -28.949 26.004 1.729 911 HB2 GLU 120 HB2 GLU 120 -28.608 26.552 -0.791 912 HB3 GLU 120 HB3 GLU 120 -27.340 27.776 -0.262 913 HG2 GLU 120 HG2 GLU 120 -26.051 26.141 0.837 914 HG3 GLU 120 HG3 GLU 120 -27.109 24.770 0.643 915 H ARG 121 H ARG 121 -27.685 25.960 3.438 916 HA ARG 121 HA ARG 121 -26.220 28.402 4.221 917 HB2 ARG 121 HB2 ARG 121 -27.331 28.488 6.442 918 HB3 ARG 121 HB3 ARG 121 -28.308 28.997 5.075 919 HG2 ARG 121 HG2 ARG 121 -29.467 26.765 5.086 920 HG3 ARG 121 HG3 ARG 121 -28.504 26.332 6.504 921 HD2 ARG 121 HD2 ARG 121 -29.484 28.440 7.624 922 HD3 ARG 121 HD3 ARG 121 -30.583 28.523 6.236 923 HE ARG 121 HE ARG 121 -31.098 26.026 6.943 924 HH11 ARG 121 HH11 ARG 121 -31.309 28.905 8.867 925 HH12 ARG 121 HH12 ARG 121 -32.146 28.071 10.146 926 HH21 ARG 121 HH21 ARG 121 -31.939 24.988 8.567 927 HH22 ARG 121 HH22 ARG 121 -32.310 25.789 10.083 928 H VAL 122 H VAL 122 -24.421 28.084 5.193 929 HA VAL 122 HA VAL 122 -23.416 25.318 5.678 930 HB VAL 122 HB VAL 122 -22.076 27.847 4.765 931 HG11 VAL 122 HG11 VAL 122 -20.404 26.483 6.002 932 HG12 VAL 122 HG12 VAL 122 -20.197 26.200 4.337 933 HG13 VAL 122 HG13 VAL 122 -21.093 25.001 5.422 934 HG21 VAL 122 HG21 VAL 122 -22.895 25.244 3.186 935 HG22 VAL 122 HG22 VAL 122 -21.728 26.521 2.693 936 HG23 VAL 122 HG23 VAL 122 -23.456 26.951 2.910 937 H SER 123 H SER 123 -22.244 24.943 7.802 938 HA SER 123 HA SER 123 -21.780 27.246 9.567 939 HB2 SER 123 HB2 SER 123 -23.993 26.356 10.057 940 HB3 SER 123 HB3 SER 123 -23.256 24.662 10.221 941 HG SER 123 HG SER 123 -23.254 25.472 12.293 942 H LYS 124 H LYS 124 -20.102 26.881 11.117 943 HA LYS 124 HA LYS 124 -18.230 24.687 10.325 944 HB2 LYS 124 HB2 LYS 124 -16.308 26.261 11.252 945 HB3 LYS 124 HB3 LYS 124 -17.017 26.443 9.671 946 HG2 LYS 124 HG2 LYS 124 -18.594 28.192 10.283 947 HG3 LYS 124 HG3 LYS 124 -18.257 27.919 12.038 948 HD2 LYS 124 HD2 LYS 124 -15.986 28.940 11.910 949 HD3 LYS 124 HD3 LYS 124 -15.981 28.771 10.139 950 HE2 LYS 124 HE2 LYS 124 -17.756 30.402 9.914 951 HE3 LYS 124 HE3 LYS 124 -17.809 30.584 11.738 952 HZ1 LYS 124 HZ1 LYS 124 -16.615 32.316 10.755 953 HZ2 LYS 124 HZ2 LYS 124 -15.760 31.262 9.786 954 HZ3 LYS 124 HZ3 LYS 124 -15.433 31.197 11.437 955 H ARG 125 H ARG 125 -17.434 23.261 11.833 956 HA ARG 125 HA ARG 125 -18.479 23.442 14.564 957 HB2 ARG 125 HB2 ARG 125 -17.760 21.268 14.911 958 HB3 ARG 125 HB3 ARG 125 -18.295 21.318 13.239 959 HG2 ARG 125 HG2 ARG 125 -15.911 21.341 12.487 960 HG3 ARG 125 HG3 ARG 125 -15.404 21.176 14.174 961 HD2 ARG 125 HD2 ARG 125 -16.565 19.074 14.430 962 HD3 ARG 125 HD3 ARG 125 -17.399 19.282 12.888 963 HE ARG 125 HE ARG 125 -14.540 19.071 12.451 964 HH11 ARG 125 HH11 ARG 125 -17.391 17.096 13.044 965 HH12 ARG 125 HH12 ARG 125 -16.784 15.823 12.022 966 HH21 ARG 125 HH21 ARG 125 -13.915 17.409 11.166 967 HH22 ARG 125 HH22 ARG 125 -15.049 16.189 10.758 968 H LEU 126 H LEU 126 -17.420 23.812 16.428 969 HA LEU 126 HA LEU 126 -14.477 23.978 16.486 970 HB2 LEU 126 HB2 LEU 126 -14.373 26.190 17.432 971 HB3 LEU 126 HB3 LEU 126 -14.996 26.198 15.809 972 HG LEU 126 HG LEU 126 -15.957 27.860 17.388 973 HD11 LEU 126 HD11 LEU 126 -18.088 26.062 16.195 974 HD12 LEU 126 HD12 LEU 126 -17.108 27.220 15.291 975 HD13 LEU 126 HD13 LEU 126 -18.198 27.798 16.553 976 HD21 LEU 126 HD21 LEU 126 -17.564 25.583 18.580 977 HD22 LEU 126 HD22 LEU 126 -17.680 27.317 18.946 978 HD23 LEU 126 HD23 LEU 126 -16.216 26.424 19.390 979 H ALA 127 H ALA 127 -16.800 22.439 17.888 980 HA ALA 127 HA ALA 127 -16.014 22.833 20.721 981 HB1 ALA 127 HB1 ALA 127 -17.530 20.943 21.154 982 HB2 ALA 127 HB2 ALA 127 -17.825 20.758 19.412 983 HB3 ALA 127 HB3 ALA 127 -18.342 22.236 20.267 984 H12 GCH 201 H12 GCH 128 -27.616 17.048 12.680 985 H1 GCH 201 H1 GCH 128 -30.016 18.304 13.033 986 H10 GCH 201 H10 GCH 128 -29.366 18.956 11.197 987 H11 GCH 201 H11 GCH 128 -28.060 17.969 10.615 988 H9 GCH 201 H9 GCH 128 -26.329 19.391 11.395 989 H4 GCH 201 H4 GCH 128 -27.884 20.844 14.668 990 H5 GCH 201 H5 GCH 128 -29.288 20.292 13.726 991 H2 GCH 201 H2 GCH 128 -28.277 18.521 14.918 992 H3 GCH 201 H3 GCH 128 -26.763 18.831 14.163 993 H6 GCH 201 H6 GCH 128 -25.567 20.517 13.429 994 H7 GCH 201 H7 GCH 128 -25.523 21.841 12.185 995 H8 GCH 201 H8 GCH 128 -26.162 22.160 13.678 996 H17 GCH 201 H17 GCH 128 -26.448 20.623 9.392 997 H18 GCH 201 H18 GCH 128 -27.819 19.603 9.166 998 H16 GCH 201 H16 GCH 128 -27.655 22.099 8.592 999 H13 GCH 201 H13 GCH 128 -29.849 22.339 8.827 1000 H15 GCH 201 H15 GCH 128 -26.652 22.612 10.670 1001 H14 GCH 201 H14 GCH 128 -29.353 21.844 11.753 1002 H41 GCH 201 H41 GCH 128 -29.294 22.873 13.753 1003 H42 GCH 201 H42 GCH 128 -27.574 23.256 13.556 1004 H40 GCH 201 H40 GCH 128 -28.636 25.471 13.434 1005 H35 GCH 201 H35 GCH 128 -29.290 24.220 10.101 1006 H33 GCH 201 H33 GCH 128 -28.114 24.671 8.052 1007 H34 GCH 201 H34 GCH 128 -26.572 24.300 8.881 1008 H31 GCH 201 H31 GCH 128 -28.003 26.937 8.641 1009 H32 GCH 201 H32 GCH 128 -26.470 26.572 9.387 1010 H30 GCH 201 H30 GCH 128 -29.261 26.475 10.740 1011 H29 GCH 201 H29 GCH 128 -27.018 28.216 11.020 1012 H19 GCH 201 H19 GCH 128 -28.270 27.279 13.632 1013 H20 GCH 201 H20 GCH 128 -26.482 27.173 13.229 1014 H21 GCH 201 H21 GCH 128 -27.306 28.728 13.473 1015 H27 GCH 201 H27 GCH 128 -28.537 29.856 11.400 1016 H28 GCH 201 H28 GCH 128 -29.460 28.725 10.313 1017 H25 GCH 201 H25 GCH 128 -30.612 27.723 12.286 1018 H26 GCH 201 H26 GCH 128 -29.886 28.888 13.366 1019 H24 GCH 201 H24 GCH 128 -30.412 30.318 10.463 1020 H22 GCH 201 H22 GCH 128 -31.827 32.424 11.174 1021 H23 GCH 201 H23 GCH 128 -33.056 31.361 10.541 1022 H36 GCH 201 H36 GCH 128 -25.762 25.964 11.746 1023 H37 GCH 201 H37 GCH 128 -26.153 24.588 12.825 1024 H38 GCH 201 H38 GCH 128 -25.721 24.396 11.007 1025 H39 GCH 201 H39 GCH 128 -30.652 24.694 13.138 1026 H11 CHO 202 H11 CHO 129 -37.271 18.627 8.267 1027 H12 CHO 202 H12 CHO 129 -36.839 17.122 9.236 1028 H21 CHO 202 H21 CHO 129 -35.101 17.850 7.663 1029 H22 CHO 202 H22 CHO 129 -34.912 19.429 8.420 1030 H3 CHO 202 H3 CHO 129 -34.353 16.679 9.714 1031 HO3 CHO 202 HO3 CHO 129 -32.893 18.151 8.425 1032 H41 CHO 202 H41 CHO 129 -33.883 17.661 11.834 1033 H42 CHO 202 H42 CHO 129 -34.179 19.293 11.143 1034 H5 CHO 202 H5 CHO 129 -36.340 17.158 11.615 1035 H61 CHO 202 H61 CHO 129 -37.150 18.418 13.369 1036 H62 CHO 202 H62 CHO 129 -35.442 18.428 13.556 1037 H7 CHO 202 H7 CHO 129 -36.734 20.655 13.842 1038 HO7 CHO 202 HO7 CHO 129 -34.362 20.703 12.602 1039 H8 CHO 202 H8 CHO 129 -37.924 21.086 11.936 1040 H9 CHO 202 H9 CHO 129 -35.460 20.583 10.139 1041 H111 CHO 202 H111 CHO 129 -37.138 20.773 8.236 1042 H112 CHO 202 H112 CHO 129 -38.393 20.999 9.456 1043 H121 CHO 202 H121 CHO 129 -37.499 23.185 8.339 1044 H122 CHO 202 H122 CHO 129 -35.885 22.625 8.965 1045 H14 CHO 202 H14 CHO 129 -35.347 22.412 11.068 1046 H151 CHO 202 H151 CHO 129 -37.434 23.294 13.100 1047 H152 CHO 202 H152 CHO 129 -35.714 23.185 13.427 1048 H161 CHO 202 H161 CHO 129 -36.832 25.564 12.391 1049 H162 CHO 202 H162 CHO 129 -35.124 25.062 12.137 1050 H17 CHO 202 H17 CHO 129 -35.452 24.509 9.957 1051 H181 CHO 202 H181 CHO 129 -38.898 24.176 11.418 1052 H182 CHO 202 H182 CHO 129 -39.202 23.569 9.845 1053 H183 CHO 202 H183 CHO 129 -39.062 22.490 11.386 1054 H191 CHO 202 H191 CHO 129 -38.935 19.116 9.965 1055 H192 CHO 202 H192 CHO 129 -38.441 17.520 10.914 1056 H193 CHO 202 H193 CHO 129 -38.627 19.143 11.706 1057 H20 CHO 202 H20 CHO 129 -37.485 25.281 8.578 1058 H211 CHO 202 H211 CHO 129 -35.994 27.355 10.154 1059 H212 CHO 202 H212 CHO 129 -35.221 26.433 8.741 1060 H213 CHO 202 H213 CHO 129 -36.665 27.474 8.587 1061 H221 CHO 202 H221 CHO 129 -39.383 25.780 9.741 1062 H222 CHO 202 H222 CHO 129 -38.444 26.102 11.257 1063 H231 CHO 202 H231 CHO 129 -38.256 28.541 10.656 1064 H232 CHO 202 H232 CHO 129 -39.103 28.265 9.174 1065 HN CHO 202 HN CHO 129 -40.197 29.580 11.922 1066 H261 CHO 202 H261 CHO 129 -42.469 30.003 11.597 1067 H262 CHO 202 H262 CHO 129 -42.906 28.313 11.708 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -22.854 11.090 13.840 2 H2 ALA 1 H2 ALA 1 -24.338 10.929 12.988 3 H3 ALA 1 H3 ALA 1 -24.171 10.049 14.361 4 HA ALA 1 HA ALA 1 -25.515 12.100 14.545 5 HB1 ALA 1 HB1 ALA 1 -24.625 12.528 16.871 6 HB2 ALA 1 HB2 ALA 1 -23.258 11.303 16.528 7 HB3 ALA 1 HB3 ALA 1 -24.997 10.839 16.540 8 H PHE 2 H PHE 2 -25.314 14.364 14.952 9 HA PHE 2 HA PHE 2 -22.831 15.554 13.877 10 HB2 PHE 2 HB2 PHE 2 -25.642 16.633 14.129 11 HB3 PHE 2 HB3 PHE 2 -24.285 17.442 13.370 12 HD1 PHE 2 HD2 PHE 2 -23.023 15.977 11.461 13 HD2 PHE 2 HD1 PHE 2 -27.109 15.438 12.734 14 HE1 PHE 2 HE2 PHE 2 -23.605 14.921 9.273 15 HE2 PHE 2 HE1 PHE 2 -27.676 14.463 10.542 16 HZ PHE 2 HZ PHE 2 -25.922 14.237 8.813 17 H THR 3 H THR 3 -23.394 14.738 16.822 18 HA THR 3 HA THR 3 -23.726 16.821 18.509 19 HB THR 3 HB THR 3 -21.810 14.524 18.918 20 HG1 THR 3 HG1 THR 3 -23.646 13.448 19.615 21 HG21 THR 3 HG21 THR 3 -23.312 16.275 20.908 22 HG22 THR 3 HG22 THR 3 -21.563 16.039 20.776 23 HG23 THR 3 HG23 THR 3 -22.583 14.701 21.314 24 H GLY 4 H GLY 4 -22.795 18.631 19.095 25 HA2 GLY 4 HA2 GLY 4 -20.206 19.436 19.497 26 HA3 GLY 4 HA3 GLY 4 -20.376 19.501 17.739 27 H LYS 5 H LYS 5 -19.916 21.899 18.313 28 HA LYS 5 HA LYS 5 -22.509 23.285 18.580 29 HB2 LYS 5 HB2 LYS 5 -20.915 23.368 20.632 30 HB3 LYS 5 HB3 LYS 5 -20.070 24.643 19.543 31 HG2 LYS 5 HG2 LYS 5 -23.062 24.463 20.447 32 HG3 LYS 5 HG3 LYS 5 -21.847 25.422 21.213 33 HD2 LYS 5 HD2 LYS 5 -22.808 25.910 18.349 34 HD3 LYS 5 HD3 LYS 5 -23.151 26.874 19.769 35 HE2 LYS 5 HE2 LYS 5 -20.292 26.548 18.422 36 HE3 LYS 5 HE3 LYS 5 -21.359 28.033 18.434 37 HZ1 LYS 5 HZ1 LYS 5 -19.530 28.251 20.043 38 HZ2 LYS 5 HZ2 LYS 5 -19.929 26.746 20.764 39 HZ3 LYS 5 HZ3 LYS 5 -20.994 28.089 20.757 40 H PHE 6 H PHE 6 -22.915 24.382 16.709 41 HA PHE 6 HA PHE 6 -20.615 24.941 14.853 42 HB2 PHE 6 HB2 PHE 6 -23.464 24.147 14.167 43 HB3 PHE 6 HB3 PHE 6 -22.119 24.384 13.050 44 HD1 PHE 6 HD1 PHE 6 -23.448 22.223 15.750 45 HD2 PHE 6 HD2 PHE 6 -20.422 22.676 12.706 46 HE1 PHE 6 HE1 PHE 6 -22.670 19.930 16.186 47 HE2 PHE 6 HE2 PHE 6 -19.702 20.337 13.077 48 HZ PHE 6 HZ PHE 6 -20.811 18.960 14.854 49 H GLU 7 H GLU 7 -20.590 26.864 13.646 50 HA GLU 7 HA GLU 7 -22.643 28.905 14.536 51 HB2 GLU 7 HB2 GLU 7 -19.742 29.195 13.714 52 HB3 GLU 7 HB3 GLU 7 -20.849 30.551 14.003 53 HG2 GLU 7 HG2 GLU 7 -21.175 29.807 16.338 54 HG3 GLU 7 HG3 GLU 7 -20.104 28.434 16.071 55 H MET 8 H MET 8 -24.048 29.701 12.863 56 HA MET 8 HA MET 8 -23.313 28.973 10.118 57 HB2 MET 8 HB2 MET 8 -25.607 28.837 10.612 58 HB3 MET 8 HB3 MET 8 -25.697 30.552 11.080 59 HG2 MET 8 HG2 MET 8 -25.152 31.241 8.791 60 HG3 MET 8 HG3 MET 8 -24.832 29.569 8.330 61 HE1 MET 8 HE1 MET 8 -27.600 31.654 10.024 62 HE2 MET 8 HE2 MET 8 -28.968 31.447 8.917 63 HE3 MET 8 HE3 MET 8 -27.583 32.433 8.417 64 H GLU 9 H GLU 9 -22.603 30.162 8.575 65 HA GLU 9 HA GLU 9 -22.763 33.029 8.442 66 HB2 GLU 9 HB2 GLU 9 -20.394 32.168 9.668 67 HB3 GLU 9 HB3 GLU 9 -19.994 31.682 7.992 68 HG2 GLU 9 HG2 GLU 9 -20.047 33.919 7.173 69 HG3 GLU 9 HG3 GLU 9 -20.769 34.520 8.763 70 H SER 10 H SER 10 -24.268 32.206 6.996 71 HA SER 10 HA SER 10 -23.256 32.249 4.273 72 HB2 SER 10 HB2 SER 10 -22.883 29.842 5.172 73 HB3 SER 10 HB3 SER 10 -24.647 29.749 5.241 74 HG SER 10 HG SER 10 -23.033 30.233 2.942 75 H GLU 11 H GLU 11 -24.759 33.677 3.546 76 HA GLU 11 HA GLU 11 -27.601 33.447 4.405 77 HB2 GLU 11 HB2 GLU 11 -26.021 35.737 3.157 78 HB3 GLU 11 HB3 GLU 11 -27.738 35.783 3.574 79 HG2 GLU 11 HG2 GLU 11 -27.183 35.592 5.955 80 HG3 GLU 11 HG3 GLU 11 -25.467 35.392 5.578 81 H LYS 12 H LYS 12 -28.776 32.307 2.885 82 HA LYS 12 HA LYS 12 -28.865 33.651 0.288 83 HB2 LYS 12 HB2 LYS 12 -27.220 31.804 -0.036 84 HB3 LYS 12 HB3 LYS 12 -28.450 30.635 0.414 85 HG2 LYS 12 HG2 LYS 12 -28.120 30.779 -2.020 86 HG3 LYS 12 HG3 LYS 12 -29.774 31.197 -1.585 87 HD2 LYS 12 HD2 LYS 12 -29.286 33.593 -1.836 88 HD3 LYS 12 HD3 LYS 12 -27.569 33.228 -2.136 89 HE2 LYS 12 HE2 LYS 12 -28.209 31.963 -4.168 90 HE3 LYS 12 HE3 LYS 12 -29.920 32.279 -3.838 91 HZ1 LYS 12 HZ1 LYS 12 -29.009 33.854 -5.449 92 HZ2 LYS 12 HZ2 LYS 12 -27.880 34.369 -4.366 93 HZ3 LYS 12 HZ3 LYS 12 -29.475 34.645 -4.086 94 H ASN 13 H ASN 13 -30.880 34.473 1.020 95 HA ASN 13 HA ASN 13 -32.858 34.738 -0.002 96 HB2 ASN 13 HB2 ASN 13 -32.392 32.367 -1.155 97 HB3 ASN 13 HB3 ASN 13 -33.626 31.763 0.054 98 HD21 ASN 13 HD21 ASN 13 -35.510 33.995 -0.142 99 HD22 ASN 13 HD22 ASN 13 -35.881 34.243 -1.886 100 H TYR 14 H TYR 14 -31.894 34.521 2.756 101 HA TYR 14 HA TYR 14 -33.676 33.044 4.296 102 HB2 TYR 14 HB2 TYR 14 -32.750 34.162 6.219 103 HB3 TYR 14 HB3 TYR 14 -31.450 33.816 5.052 104 HD1 TYR 14 HD1 TYR 14 -33.577 36.455 6.534 105 HD2 TYR 14 HD2 TYR 14 -30.374 35.607 3.801 106 HE1 TYR 14 HE1 TYR 14 -33.023 38.870 6.438 107 HE2 TYR 14 HE2 TYR 14 -29.819 38.024 3.703 108 HH TYR 14 HH TYR 14 -30.179 40.059 5.314 109 H ASP 15 H ASP 15 -34.218 36.466 3.050 110 HA ASP 15 HA ASP 15 -36.136 37.206 5.037 111 HB2 ASP 15 HB2 ASP 15 -35.599 38.207 2.190 112 HB3 ASP 15 HB3 ASP 15 -36.954 38.830 3.252 113 H GLU 16 H GLU 16 -36.636 35.950 1.587 114 HA GLU 16 HA GLU 16 -39.330 35.678 1.982 115 HB2 GLU 16 HB2 GLU 16 -37.635 34.115 0.050 116 HB3 GLU 16 HB3 GLU 16 -39.424 34.261 0.086 117 HG2 GLU 16 HG2 GLU 16 -37.350 36.704 -0.177 118 HG3 GLU 16 HG3 GLU 16 -38.319 35.932 -1.514 119 H PHE 17 H PHE 17 -36.694 33.361 2.415 120 HA PHE 17 HA PHE 17 -38.291 31.084 2.698 121 HB2 PHE 17 HB2 PHE 17 -36.019 30.844 2.053 122 HB3 PHE 17 HB3 PHE 17 -35.454 31.638 3.508 123 HD1 PHE 17 HD2 PHE 17 -35.691 30.464 5.797 124 HD2 PHE 17 HD1 PHE 17 -36.221 28.477 2.005 125 HE1 PHE 17 HE2 PHE 17 -35.208 28.289 6.867 126 HE2 PHE 17 HE1 PHE 17 -35.788 26.306 3.092 127 HZ PHE 17 HZ PHE 17 -35.249 26.191 5.520 128 H MET 18 H MET 18 -36.880 33.094 5.281 129 HA MET 18 HA MET 18 -38.166 31.581 7.378 130 HB2 MET 18 HB2 MET 18 -37.032 34.398 7.379 131 HB3 MET 18 HB3 MET 18 -37.554 33.492 8.808 132 HG2 MET 18 HG2 MET 18 -35.359 32.563 6.917 133 HG3 MET 18 HG3 MET 18 -35.068 33.444 8.402 134 HE1 MET 18 HE1 MET 18 -36.506 32.453 10.722 135 HE2 MET 18 HE2 MET 18 -34.722 32.418 10.645 136 HE3 MET 18 HE3 MET 18 -35.615 31.002 11.239 137 H LYS 19 H LYS 19 -39.274 34.394 5.391 138 HA LYS 19 HA LYS 19 -41.670 34.788 6.975 139 HB2 LYS 19 HB2 LYS 19 -40.934 35.461 4.115 140 HB3 LYS 19 HB3 LYS 19 -42.541 35.789 4.764 141 HG2 LYS 19 HG2 LYS 19 -41.600 37.205 6.542 142 HG3 LYS 19 HG3 LYS 19 -39.971 36.932 5.939 143 HD2 LYS 19 HD2 LYS 19 -42.246 38.289 4.424 144 HD3 LYS 19 HD3 LYS 19 -40.868 39.101 5.187 145 HE2 LYS 19 HE2 LYS 19 -39.312 37.939 3.657 146 HE3 LYS 19 HE3 LYS 19 -40.657 37.077 2.908 147 HZ1 LYS 19 HZ1 LYS 19 -41.516 39.183 2.109 148 HZ2 LYS 19 HZ2 LYS 19 -40.027 38.899 1.574 149 HZ3 LYS 19 HZ3 LYS 19 -40.216 40.000 2.770 150 H LEU 20 H LEU 20 -41.108 32.847 4.077 151 HA LEU 20 HA LEU 20 -43.822 31.994 3.943 152 HB2 LEU 20 HB2 LEU 20 -41.393 31.104 2.515 153 HB3 LEU 20 HB3 LEU 20 -43.152 30.518 2.170 154 HG LEU 20 HG LEU 20 -42.384 33.309 2.130 155 HD11 LEU 20 HD11 LEU 20 -40.663 32.243 0.533 156 HD12 LEU 20 HD12 LEU 20 -41.800 33.270 -0.392 157 HD13 LEU 20 HD13 LEU 20 -41.932 31.535 -0.443 158 HD21 LEU 20 HD21 LEU 20 -44.642 31.712 0.593 159 HD22 LEU 20 HD22 LEU 20 -44.223 33.361 0.212 160 HD23 LEU 20 HD23 LEU 20 -44.723 32.803 1.950 161 H LEU 21 H LEU 21 -41.000 30.707 5.585 162 HA LEU 21 HA LEU 21 -42.418 28.266 6.396 163 HB2 LEU 21 HB2 LEU 21 -39.884 29.697 7.247 164 HB3 LEU 21 HB3 LEU 21 -40.686 28.699 8.426 165 HG LEU 21 HG LEU 21 -39.459 27.141 7.703 166 HD11 LEU 21 HD11 LEU 21 -40.250 25.528 6.268 167 HD12 LEU 21 HD12 LEU 21 -41.212 26.697 5.336 168 HD13 LEU 21 HD13 LEU 21 -41.637 26.287 7.024 169 HD21 LEU 21 HD21 LEU 21 -39.137 28.402 5.027 170 HD22 LEU 21 HD22 LEU 21 -38.299 26.923 5.558 171 HD23 LEU 21 HD23 LEU 21 -38.031 28.465 6.391 172 H GLY 22 H GLY 22 -42.229 31.604 7.628 173 HA2 GLY 22 HA2 GLY 22 -44.489 32.320 8.516 174 HA3 GLY 22 HA3 GLY 22 -44.448 30.775 9.378 175 H ILE 23 H ILE 23 -41.392 32.314 9.331 176 HA ILE 23 HA ILE 23 -41.769 33.357 12.093 177 HB ILE 23 HB ILE 23 -39.289 33.414 10.335 178 HG12 ILE 23 HG12 ILE 23 -38.508 31.767 12.276 179 HG13 ILE 23 HG13 ILE 23 -40.220 31.369 12.363 180 HG21 ILE 23 HG21 ILE 23 -39.425 35.221 12.036 181 HG22 ILE 23 HG22 ILE 23 -38.147 34.073 12.371 182 HG23 ILE 23 HG23 ILE 23 -39.664 33.986 13.302 183 HD11 ILE 23 HD11 ILE 23 -40.163 30.611 10.009 184 HD12 ILE 23 HD12 ILE 23 -38.836 29.853 10.900 185 HD13 ILE 23 HD13 ILE 23 -38.509 31.223 9.828 186 H SER 24 H SER 24 -42.738 35.369 12.142 187 HA SER 24 HA SER 24 -42.851 36.981 9.745 188 HB2 SER 24 HB2 SER 24 -43.823 37.482 12.571 189 HB3 SER 24 HB3 SER 24 -44.141 38.559 11.198 190 HG SER 24 HG SER 24 -44.776 35.784 11.143 191 H SER 25 H SER 25 -41.077 37.575 12.854 192 HA SER 25 HA SER 25 -39.177 38.954 11.303 193 HB2 SER 25 HB2 SER 25 -39.329 41.070 12.835 194 HB3 SER 25 HB3 SER 25 -40.893 40.802 12.039 195 HG SER 25 HG SER 25 -41.073 41.371 14.095 196 H ASP 26 H ASP 26 -40.106 37.607 14.216 197 HA ASP 26 HA ASP 26 -38.172 38.321 16.081 198 HB2 ASP 26 HB2 ASP 26 -40.248 36.751 16.404 199 HB3 ASP 26 HB3 ASP 26 -39.056 35.463 16.054 200 H VAL 27 H VAL 27 -37.856 35.252 14.271 201 HA VAL 27 HA VAL 27 -35.056 35.190 15.043 202 HB VAL 27 HB VAL 27 -36.152 33.366 12.932 203 HG11 VAL 27 HG11 VAL 27 -33.725 33.334 13.309 204 HG12 VAL 27 HG12 VAL 27 -34.466 31.835 13.865 205 HG13 VAL 27 HG13 VAL 27 -33.988 33.070 15.045 206 HG21 VAL 27 HG21 VAL 27 -36.679 31.745 14.760 207 HG22 VAL 27 HG22 VAL 27 -37.759 33.136 14.764 208 HG23 VAL 27 HG23 VAL 27 -36.440 33.050 15.943 209 H ILE 28 H ILE 28 -36.774 36.130 12.063 210 HA ILE 28 HA ILE 28 -34.559 36.178 10.343 211 HB ILE 28 HB ILE 28 -36.435 38.424 9.909 212 HG12 ILE 28 HG12 ILE 28 -37.565 35.628 9.687 213 HG13 ILE 28 HG13 ILE 28 -38.081 36.894 10.806 214 HG21 ILE 28 HG21 ILE 28 -36.206 37.723 7.603 215 HG22 ILE 28 HG22 ILE 28 -35.505 36.168 8.096 216 HG23 ILE 28 HG23 ILE 28 -34.623 37.684 8.354 217 HD11 ILE 28 HD11 ILE 28 -38.349 36.898 7.781 218 HD12 ILE 28 HD12 ILE 28 -38.528 38.379 8.760 219 HD13 ILE 28 HD13 ILE 28 -39.620 37.025 8.997 220 H GLU 29 H GLU 29 -35.731 38.878 12.451 221 HA GLU 29 HA GLU 29 -33.785 40.623 11.435 222 HB2 GLU 29 HB2 GLU 29 -34.464 42.193 12.909 223 HB3 GLU 29 HB3 GLU 29 -35.870 41.207 12.440 224 HG2 GLU 29 HG2 GLU 29 -35.567 39.878 14.800 225 HG3 GLU 29 HG3 GLU 29 -34.236 41.078 15.039 226 H LYS 30 H LYS 30 -33.415 38.183 13.854 227 HA LYS 30 HA LYS 30 -30.723 39.191 14.668 228 HB2 LYS 30 HB2 LYS 30 -31.727 36.478 15.434 229 HB3 LYS 30 HB3 LYS 30 -30.682 37.579 16.327 230 HG2 LYS 30 HG2 LYS 30 -33.676 37.653 15.979 231 HG3 LYS 30 HG3 LYS 30 -32.823 37.258 17.439 232 HD2 LYS 30 HD2 LYS 30 -32.257 39.548 17.883 233 HD3 LYS 30 HD3 LYS 30 -32.794 40.059 16.277 234 HE2 LYS 30 HE2 LYS 30 -35.107 39.117 16.840 235 HE3 LYS 30 HE3 LYS 30 -34.546 38.838 18.477 236 HZ1 LYS 30 HZ1 LYS 30 -35.768 40.884 18.346 237 HZ2 LYS 30 HZ2 LYS 30 -34.940 41.478 17.141 238 HZ3 LYS 30 HZ3 LYS 30 -34.201 41.335 18.606 239 H ALA 31 H ALA 31 -32.301 36.779 12.552 240 HA ALA 31 HA ALA 31 -30.112 35.271 11.832 241 HB1 ALA 31 HB1 ALA 31 -32.406 36.059 9.983 242 HB2 ALA 31 HB2 ALA 31 -32.570 34.903 11.335 243 HB3 ALA 31 HB3 ALA 31 -31.450 34.648 9.985 244 H ARG 32 H ARG 32 -31.312 38.111 10.120 245 HA ARG 32 HA ARG 32 -29.415 38.195 8.152 246 HB2 ARG 32 HB2 ARG 32 -30.293 40.426 7.685 247 HB3 ARG 32 HB3 ARG 32 -31.741 39.360 8.076 248 HG2 ARG 32 HG2 ARG 32 -31.549 40.391 10.368 249 HG3 ARG 32 HG3 ARG 32 -30.380 41.607 9.589 250 HD2 ARG 32 HD2 ARG 32 -32.250 42.121 7.995 251 HD3 ARG 32 HD3 ARG 32 -33.384 41.108 8.986 252 HE ARG 32 HE ARG 32 -31.987 43.304 10.442 253 HH11 ARG 32 HH11 ARG 32 -34.866 42.328 8.678 254 HH12 ARG 32 HH12 ARG 32 -35.771 43.618 9.302 255 HH21 ARG 32 HH21 ARG 32 -33.129 44.972 10.990 256 HH22 ARG 32 HH22 ARG 32 -34.915 44.708 11.156 257 H ASN 33 H ASN 33 -29.454 39.828 11.254 258 HA ASN 33 HA ASN 33 -26.878 41.063 10.753 259 HB2 ASN 33 HB2 ASN 33 -28.441 41.092 13.434 260 HB3 ASN 33 HB3 ASN 33 -26.895 41.894 13.056 261 HD21 ASN 33 HD21 ASN 33 -30.323 41.925 12.821 262 HD22 ASN 33 HD22 ASN 33 -30.368 43.655 12.434 263 H PHE 34 H PHE 34 -27.575 38.574 13.248 264 HA PHE 34 HA PHE 34 -24.821 38.440 13.796 265 HB2 PHE 34 HB2 PHE 34 -26.663 38.450 15.476 266 HB3 PHE 34 HB3 PHE 34 -27.217 36.866 14.946 267 HD1 PHE 34 HD2 PHE 34 -23.875 38.202 16.191 268 HD2 PHE 34 HD1 PHE 34 -26.817 35.092 16.122 269 HE1 PHE 34 HE2 PHE 34 -22.415 36.810 17.518 270 HE2 PHE 34 HE1 PHE 34 -25.379 33.682 17.579 271 HZ PHE 34 HZ PHE 34 -23.209 34.625 18.395 272 H LYS 35 H LYS 35 -27.138 36.427 12.122 273 HA LYS 35 HA LYS 35 -27.242 34.321 11.390 274 HB2 LYS 35 HB2 LYS 35 -24.267 34.632 10.908 275 HB3 LYS 35 HB3 LYS 35 -25.188 33.182 10.536 276 HG2 LYS 35 HG2 LYS 35 -25.020 34.405 8.528 277 HG3 LYS 35 HG3 LYS 35 -26.691 34.412 9.071 278 HD2 LYS 35 HD2 LYS 35 -26.280 36.515 8.170 279 HD3 LYS 35 HD3 LYS 35 -26.353 36.778 9.888 280 HE2 LYS 35 HE2 LYS 35 -23.969 37.007 10.099 281 HE3 LYS 35 HE3 LYS 35 -23.753 36.557 8.389 282 HZ1 LYS 35 HZ1 LYS 35 -23.780 38.988 8.662 283 HZ2 LYS 35 HZ2 LYS 35 -25.329 38.919 9.258 284 HZ3 LYS 35 HZ3 LYS 35 -25.026 38.447 7.731 285 H ILE 36 H ILE 36 -27.616 32.441 12.205 286 HA ILE 36 HA ILE 36 -27.254 32.616 15.119 287 HB ILE 36 HB ILE 36 -29.239 31.091 13.459 288 HG12 ILE 36 HG12 ILE 36 -29.749 33.313 13.004 289 HG13 ILE 36 HG13 ILE 36 -30.768 33.004 14.390 290 HG21 ILE 36 HG21 ILE 36 -29.124 30.058 15.645 291 HG22 ILE 36 HG22 ILE 36 -30.605 30.992 15.527 292 HG23 ILE 36 HG23 ILE 36 -29.230 31.663 16.413 293 HD11 ILE 36 HD11 ILE 36 -28.280 34.698 14.279 294 HD12 ILE 36 HD12 ILE 36 -28.959 34.131 15.817 295 HD13 ILE 36 HD13 ILE 36 -29.921 35.142 14.728 296 H VAL 37 H VAL 37 -27.103 30.684 16.627 297 HA VAL 37 HA VAL 37 -25.147 28.791 15.474 298 HB VAL 37 HB VAL 37 -23.650 29.030 17.204 299 HG11 VAL 37 HG11 VAL 37 -24.450 31.907 16.769 300 HG12 VAL 37 HG12 VAL 37 -23.556 30.947 15.497 301 HG13 VAL 37 HG13 VAL 37 -22.840 31.458 17.113 302 HG21 VAL 37 HG21 VAL 37 -24.199 30.674 19.283 303 HG22 VAL 37 HG22 VAL 37 -25.134 29.066 19.184 304 HG23 VAL 37 HG23 VAL 37 -25.839 30.596 18.541 305 H THR 38 H THR 38 -24.761 26.818 16.460 306 HA THR 38 HA THR 38 -27.258 25.887 17.856 307 HB THR 38 HB THR 38 -25.916 24.911 15.340 308 HG1 THR 38 HG1 THR 38 -28.606 25.104 15.525 309 HG21 THR 38 HG21 THR 38 -28.194 23.302 15.687 310 HG22 THR 38 HG22 THR 38 -27.408 23.205 17.232 311 HG23 THR 38 HG23 THR 38 -26.506 22.819 15.750 312 H GLU 39 H GLU 39 -27.087 24.573 19.408 313 HA GLU 39 HA GLU 39 -24.658 22.954 20.044 314 HB2 GLU 39 HB2 GLU 39 -27.217 23.526 21.555 315 HB3 GLU 39 HB3 GLU 39 -25.966 22.413 22.124 316 HG2 GLU 39 HG2 GLU 39 -24.417 24.148 22.554 317 HG3 GLU 39 HG3 GLU 39 -25.263 25.302 21.533 318 H VAL 40 H VAL 40 -24.676 20.916 19.364 319 HA VAL 40 HA VAL 40 -27.284 19.583 18.740 320 HB VAL 40 HB VAL 40 -24.585 18.989 17.484 321 HG11 VAL 40 HG11 VAL 40 -26.039 17.056 17.438 322 HG12 VAL 40 HG12 VAL 40 -26.033 17.788 15.837 323 HG13 VAL 40 HG13 VAL 40 -27.421 18.051 16.900 324 HG21 VAL 40 HG21 VAL 40 -26.913 20.539 16.311 325 HG22 VAL 40 HG22 VAL 40 -25.450 20.013 15.432 326 HG23 VAL 40 HG23 VAL 40 -25.309 21.192 16.730 327 H GLN 41 H GLN 41 -27.698 17.667 19.756 328 HA GLN 41 HA GLN 41 -25.442 16.087 20.302 329 HB2 GLN 41 HB2 GLN 41 -25.916 17.327 22.381 330 HB3 GLN 41 HB3 GLN 41 -27.578 16.479 22.361 331 HG2 GLN 41 HG2 GLN 41 -26.418 14.353 22.568 332 HG3 GLN 41 HG3 GLN 41 -24.736 15.236 22.488 333 HE21 GLN 41 HE21 GLN 41 -27.792 15.172 24.475 334 HE22 GLN 41 HE22 GLN 41 -26.981 15.459 25.906 335 H GLN 42 H GLN 42 -25.863 14.121 19.650 336 HA GLN 42 HA GLN 42 -28.660 13.153 19.376 337 HB2 GLN 42 HB2 GLN 42 -26.504 13.326 17.146 338 HB3 GLN 42 HB3 GLN 42 -28.094 12.386 17.092 339 HG2 GLN 42 HG2 GLN 42 -29.295 14.759 17.205 340 HG3 GLN 42 HG3 GLN 42 -27.746 15.444 17.588 341 HE21 GLN 42 HE21 GLN 42 -28.928 16.757 15.471 342 HE22 GLN 42 HE22 GLN 42 -28.103 16.353 14.089 343 H ASP 43 H ASP 43 -28.915 10.854 19.273 344 HA ASP 43 HA ASP 43 -26.540 9.351 19.160 345 HB2 ASP 43 HB2 ASP 43 -26.321 10.116 21.362 346 HB3 ASP 43 HB3 ASP 43 -28.010 9.634 21.855 347 H GLY 44 H GLY 44 -26.946 7.365 18.367 348 HA2 GLY 44 HA2 GLY 44 -28.227 5.736 17.279 349 HA3 GLY 44 HA3 GLY 44 -29.224 5.794 18.734 350 H GLN 45 H GLN 45 -31.271 6.191 18.384 351 HA GLN 45 HA GLN 45 -32.253 7.364 15.844 352 HB2 GLN 45 HB2 GLN 45 -33.024 5.074 17.044 353 HB3 GLN 45 HB3 GLN 45 -34.015 6.176 17.982 354 HG2 GLN 45 HG2 GLN 45 -35.412 5.491 16.225 355 HG3 GLN 45 HG3 GLN 45 -34.885 7.086 15.714 356 HE21 GLN 45 HE21 GLN 45 -35.613 6.221 13.548 357 HE22 GLN 45 HE22 GLN 45 -34.462 5.185 12.683 358 H ASP 46 H ASP 46 -31.481 8.570 19.064 359 HA ASP 46 HA ASP 46 -33.690 10.310 19.275 360 HB2 ASP 46 HB2 ASP 46 -33.162 8.636 20.986 361 HB3 ASP 46 HB3 ASP 46 -31.494 9.192 21.220 362 H PHE 47 H PHE 47 -33.483 12.199 18.616 363 HA PHE 47 HA PHE 47 -30.807 13.415 18.276 364 HB2 PHE 47 HB2 PHE 47 -33.197 13.554 16.452 365 HB3 PHE 47 HB3 PHE 47 -31.853 14.669 16.391 366 HD1 PHE 47 HD2 PHE 47 -32.386 10.930 16.430 367 HD2 PHE 47 HD1 PHE 47 -30.279 14.271 14.762 368 HE1 PHE 47 HE2 PHE 47 -31.077 9.394 14.990 369 HE2 PHE 47 HE1 PHE 47 -28.894 12.723 13.391 370 HZ PHE 47 HZ PHE 47 -29.336 10.271 13.481 371 H THR 48 H THR 48 -30.296 15.109 19.438 372 HA THR 48 HA THR 48 -32.357 17.193 19.917 373 HB THR 48 HB THR 48 -29.761 17.085 21.412 374 HG1 THR 48 HG1 THR 48 -31.027 15.284 21.821 375 HG21 THR 48 HG21 THR 48 -32.286 18.688 21.806 376 HG22 THR 48 HG22 THR 48 -30.667 19.279 21.455 377 HG23 THR 48 HG23 THR 48 -30.985 18.525 23.029 378 H TRP 49 H TRP 49 -32.292 18.979 18.858 379 HA TRP 49 HA TRP 49 -29.794 20.023 17.595 380 HB2 TRP 49 HB2 TRP 49 -31.046 18.590 16.064 381 HB3 TRP 49 HB3 TRP 49 -32.546 19.401 16.458 382 HD1 TRP 49 HD1 TRP 49 -31.620 22.421 15.900 383 HE1 TRP 49 HE1 TRP 49 -31.415 23.170 13.460 384 HE3 TRP 49 HE3 TRP 49 -31.128 17.847 13.654 385 HZ2 TRP 49 HZ2 TRP 49 -31.575 21.946 10.860 386 HZ3 TRP 49 HZ3 TRP 49 -31.228 17.677 11.172 387 HH2 TRP 49 HH2 TRP 49 -31.519 19.707 9.790 388 H SER 50 H SER 50 -29.582 21.895 18.966 389 HA SER 50 HA SER 50 -32.031 23.656 19.226 390 HB2 SER 50 HB2 SER 50 -29.772 23.205 21.216 391 HB3 SER 50 HB3 SER 50 -31.170 24.324 21.273 392 HG SER 50 HG SER 50 -31.116 21.980 22.237 393 H GLN 51 H GLN 51 -31.912 25.511 18.616 394 HA GLN 51 HA GLN 51 -29.353 26.866 17.863 395 HB2 GLN 51 HB2 GLN 51 -32.257 27.187 17.033 396 HB3 GLN 51 HB3 GLN 51 -31.227 28.614 16.874 397 HG2 GLN 51 HG2 GLN 51 -31.386 27.361 14.768 398 HG3 GLN 51 HG3 GLN 51 -29.780 27.017 15.266 399 HE21 GLN 51 HE21 GLN 51 -33.045 25.828 14.780 400 HE22 GLN 51 HE22 GLN 51 -32.729 24.122 14.779 401 H HIS 52 H HIS 52 -28.831 28.852 18.426 402 HA HIS 52 HA HIS 52 -30.401 30.190 20.602 403 HB2 HIS 52 HB2 HIS 52 -27.408 29.622 20.493 404 HB3 HIS 52 HB3 HIS 52 -28.129 30.814 21.565 405 HD1 HIS 52 HD1 HIS 52 -29.409 29.880 23.740 406 HD2 HIS 52 HD2 HIS 52 -27.752 27.029 21.112 407 HE1 HIS 52 HE1 HIS 52 -29.281 27.671 25.030 408 H TYR 53 H TYR 53 -31.088 32.063 19.783 409 HA TYR 53 HA TYR 53 -29.357 33.421 17.777 410 HB2 TYR 53 HB2 TYR 53 -31.269 34.546 16.889 411 HB3 TYR 53 HB3 TYR 53 -31.476 32.817 16.834 412 HD1 TYR 53 HD1 TYR 53 -32.361 35.775 18.944 413 HD2 TYR 53 HD2 TYR 53 -33.598 31.941 17.408 414 HE1 TYR 53 HE1 TYR 53 -34.669 36.184 19.793 415 HE2 TYR 53 HE2 TYR 53 -35.890 32.342 18.310 416 HH TYR 53 HH TYR 53 -37.316 34.807 19.245 417 H SER 54 H SER 54 -29.306 35.671 17.700 418 HA SER 54 HA SER 54 -27.902 36.474 19.814 419 HB2 SER 54 HB2 SER 54 -28.288 37.408 17.330 420 HB3 SER 54 HB3 SER 54 -28.828 38.838 18.273 421 HG SER 54 HG SER 54 -26.649 38.985 18.029 422 H GLY 55 H GLY 55 -31.425 37.195 19.966 423 HA2 GLY 55 HA2 GLY 55 -30.946 39.183 22.038 424 HA3 GLY 55 HA3 GLY 55 -32.436 38.288 21.604 425 H GLY 56 H GLY 56 -30.068 36.045 22.198 426 HA2 GLY 56 HA2 GLY 56 -29.582 34.715 23.892 427 HA3 GLY 56 HA3 GLY 56 -30.398 35.966 24.968 428 H HIS 57 H HIS 57 -32.016 34.545 22.212 429 HA HIS 57 HA HIS 57 -33.628 32.966 24.158 430 HB2 HIS 57 HB2 HIS 57 -34.830 34.714 22.988 431 HB3 HIS 57 HB3 HIS 57 -34.404 33.972 21.438 432 HD1 HIS 57 HD1 HIS 57 -35.419 31.517 20.988 433 HD2 HIS 57 HD2 HIS 57 -37.102 33.657 24.193 434 HE1 HIS 57 HE1 HIS 57 -37.625 30.392 21.552 435 H THR 58 H THR 58 -33.676 30.921 24.100 436 HA THR 58 HA THR 58 -32.106 29.327 22.340 437 HB THR 58 HB THR 58 -33.576 28.688 25.048 438 HG1 THR 58 HG1 THR 58 -31.985 29.924 25.461 439 HG21 THR 58 HG21 THR 58 -32.293 26.691 25.218 440 HG22 THR 58 HG22 THR 58 -31.672 26.844 23.592 441 HG23 THR 58 HG23 THR 58 -33.403 26.557 23.879 442 H MET 59 H MET 59 -32.993 27.783 21.027 443 HA MET 59 HA MET 59 -35.880 27.120 21.459 444 HB2 MET 59 HB2 MET 59 -36.245 27.292 19.018 445 HB3 MET 59 HB3 MET 59 -36.014 28.825 19.835 446 HG2 MET 59 HG2 MET 59 -34.081 29.330 18.775 447 HG3 MET 59 HG3 MET 59 -33.487 27.680 18.828 448 HE1 MET 59 HE1 MET 59 -35.812 26.010 17.367 449 HE2 MET 59 HE2 MET 59 -34.056 25.764 17.305 450 HE3 MET 59 HE3 MET 59 -35.005 25.900 15.813 451 H THR 60 H THR 60 -36.167 25.032 21.635 452 HA THR 60 HA THR 60 -33.861 23.271 20.906 453 HB THR 60 HB THR 60 -34.632 21.643 22.400 454 HG1 THR 60 HG1 THR 60 -36.873 22.072 22.038 455 HG21 THR 60 HG21 THR 60 -34.513 22.723 24.571 456 HG22 THR 60 HG22 THR 60 -34.941 24.297 23.879 457 HG23 THR 60 HG23 THR 60 -33.384 23.537 23.468 458 H ASN 61 H ASN 61 -34.061 21.714 19.348 459 HA ASN 61 HA ASN 61 -36.844 20.902 18.646 460 HB2 ASN 61 HB2 ASN 61 -34.541 20.924 16.676 461 HB3 ASN 61 HB3 ASN 61 -36.264 20.669 16.393 462 HD21 ASN 61 HD21 ASN 61 -37.164 23.041 17.957 463 HD22 ASN 61 HD22 ASN 61 -36.877 24.303 16.765 464 H LYS 62 H LYS 62 -37.061 19.100 19.828 465 HA LYS 62 HA LYS 62 -34.840 17.077 19.770 466 HB2 LYS 62 HB2 LYS 62 -36.954 17.732 21.844 467 HB3 LYS 62 HB3 LYS 62 -36.240 16.114 21.746 468 HG2 LYS 62 HG2 LYS 62 -34.000 16.993 22.017 469 HG3 LYS 62 HG3 LYS 62 -34.604 18.664 22.048 470 HD2 LYS 62 HD2 LYS 62 -35.664 18.392 24.130 471 HD3 LYS 62 HD3 LYS 62 -35.636 16.627 24.058 472 HE2 LYS 62 HE2 LYS 62 -33.145 18.369 24.308 473 HE3 LYS 62 HE3 LYS 62 -33.997 17.653 25.676 474 HZ1 LYS 62 HZ1 LYS 62 -32.640 16.181 23.482 475 HZ2 LYS 62 HZ2 LYS 62 -33.583 15.430 24.597 476 HZ3 LYS 62 HZ3 LYS 62 -32.200 16.203 25.040 477 H PHE 63 H PHE 63 -35.176 15.226 18.636 478 HA PHE 63 HA PHE 63 -37.975 14.449 18.066 479 HB2 PHE 63 HB2 PHE 63 -37.677 14.489 15.664 480 HB3 PHE 63 HB3 PHE 63 -37.489 16.093 16.337 481 HD1 PHE 63 HD1 PHE 63 -35.116 17.052 16.653 482 HD2 PHE 63 HD2 PHE 63 -35.951 13.514 14.330 483 HE1 PHE 63 HE1 PHE 63 -32.946 17.293 15.495 484 HE2 PHE 63 HE2 PHE 63 -33.757 13.757 13.184 485 HZ PHE 63 HZ PHE 63 -32.260 15.648 13.768 486 H THR 64 H THR 64 -38.268 12.420 17.342 487 HA THR 64 HA THR 64 -35.953 10.582 17.248 488 HB THR 64 HB THR 64 -38.773 9.712 16.837 489 HG1 THR 64 HG1 THR 64 -37.507 10.026 19.316 490 HG21 THR 64 HG21 THR 64 -36.350 8.306 18.009 491 HG22 THR 64 HG22 THR 64 -37.042 8.043 16.391 492 HG23 THR 64 HG23 THR 64 -37.981 7.618 17.835 493 H VAL 65 H VAL 65 -34.944 10.094 15.431 494 HA VAL 65 HA VAL 65 -35.983 10.953 12.872 495 HB VAL 65 HB VAL 65 -33.572 10.829 13.485 496 HG11 VAL 65 HG11 VAL 65 -33.835 7.879 12.775 497 HG12 VAL 65 HG12 VAL 65 -33.522 8.517 14.407 498 HG13 VAL 65 HG13 VAL 65 -32.345 8.761 13.110 499 HG21 VAL 65 HG21 VAL 65 -34.343 9.401 10.916 500 HG22 VAL 65 HG22 VAL 65 -32.831 10.256 11.287 501 HG23 VAL 65 HG23 VAL 65 -34.339 11.162 11.174 502 H GLY 66 H GLY 66 -36.969 9.777 11.157 503 HA2 GLY 66 HA2 GLY 66 -38.118 8.038 10.218 504 HA3 GLY 66 HA3 GLY 66 -37.538 6.950 11.481 505 H LYS 67 H LYS 67 -39.010 9.716 12.850 506 HA LYS 67 HA LYS 67 -41.589 8.458 13.036 507 HB2 LYS 67 HB2 LYS 67 -39.495 8.578 14.867 508 HB3 LYS 67 HB3 LYS 67 -40.371 10.169 15.261 509 HG2 LYS 67 HG2 LYS 67 -41.108 8.438 16.935 510 HG3 LYS 67 HG3 LYS 67 -42.357 8.897 15.661 511 HD2 LYS 67 HD2 LYS 67 -41.730 6.701 14.567 512 HD3 LYS 67 HD3 LYS 67 -40.363 6.456 15.658 513 HE2 LYS 67 HE2 LYS 67 -41.992 6.283 17.729 514 HE3 LYS 67 HE3 LYS 67 -43.322 6.220 16.498 515 HZ1 LYS 67 HZ1 LYS 67 -40.936 4.397 16.400 516 HZ2 LYS 67 HZ2 LYS 67 -42.347 4.342 15.590 517 HZ3 LYS 67 HZ3 LYS 67 -42.336 4.024 17.323 518 H GLU 68 H GLU 68 -43.047 9.764 14.129 519 HA GLU 68 HA GLU 68 -43.183 12.423 12.842 520 HB2 GLU 68 HB2 GLU 68 -44.218 10.502 11.435 521 HB3 GLU 68 HB3 GLU 68 -45.230 10.180 12.897 522 HG2 GLU 68 HG2 GLU 68 -46.402 12.250 12.644 523 HG3 GLU 68 HG3 GLU 68 -45.463 12.790 11.167 524 H SER 69 H SER 69 -44.895 13.709 13.552 525 HA SER 69 HA SER 69 -45.822 15.029 15.069 526 HB2 SER 69 HB2 SER 69 -46.618 12.445 16.403 527 HB3 SER 69 HB3 SER 69 -47.193 14.052 16.883 528 HG SER 69 HG SER 69 -47.692 12.636 14.520 529 H ASN 70 H ASN 70 -43.160 14.934 15.287 530 HA ASN 70 HA ASN 70 -42.643 15.711 18.103 531 HB2 ASN 70 HB2 ASN 70 -42.305 13.219 17.496 532 HB3 ASN 70 HB3 ASN 70 -40.740 13.894 16.669 533 HD21 ASN 70 HD21 ASN 70 -40.283 12.096 18.463 534 HD22 ASN 70 HD22 ASN 70 -39.601 12.751 19.938 535 H ILE 71 H ILE 71 -42.773 17.077 15.431 536 HA ILE 71 HA ILE 71 -39.986 17.904 14.788 537 HB ILE 71 HB ILE 71 -42.681 17.897 13.401 538 HG12 ILE 71 HG12 ILE 71 -40.033 16.540 12.806 539 HG13 ILE 71 HG13 ILE 71 -41.549 15.801 13.298 540 HG21 ILE 71 HG21 ILE 71 -40.489 19.016 11.745 541 HG22 ILE 71 HG22 ILE 71 -41.292 20.109 12.862 542 HG23 ILE 71 HG23 ILE 71 -42.220 19.221 11.665 543 HD11 ILE 71 HD11 ILE 71 -42.572 16.576 11.155 544 HD12 ILE 71 HD12 ILE 71 -41.215 15.432 10.939 545 HD13 ILE 71 HD13 ILE 71 -40.985 17.153 10.639 546 H GLN 72 H GLN 72 -39.371 19.750 15.910 547 HA GLN 72 HA GLN 72 -41.405 21.877 16.448 548 HB2 GLN 72 HB2 GLN 72 -38.670 21.510 17.676 549 HB3 GLN 72 HB3 GLN 72 -39.891 22.687 18.147 550 HG2 GLN 72 HG2 GLN 72 -41.359 20.809 18.911 551 HG3 GLN 72 HG3 GLN 72 -40.110 19.645 18.451 552 HE21 GLN 72 HE21 GLN 72 -40.665 22.510 20.546 553 HE22 GLN 72 HE22 GLN 72 -39.260 22.185 21.553 554 H THR 73 H THR 73 -41.214 23.869 15.518 555 HA THR 73 HA THR 73 -39.175 24.465 13.615 556 HB THR 73 HB THR 73 -40.324 26.454 13.114 557 HG1 THR 73 HG1 THR 73 -41.643 27.489 14.326 558 HG21 THR 73 HG21 THR 73 -41.468 24.672 12.152 559 HG22 THR 73 HG22 THR 73 -42.701 25.784 12.786 560 HG23 THR 73 HG23 THR 73 -42.328 24.261 13.582 561 H MET 74 H MET 74 -38.336 26.679 13.259 562 HA MET 74 HA MET 74 -36.501 27.506 15.242 563 HB2 MET 74 HB2 MET 74 -37.556 29.158 12.924 564 HB3 MET 74 HB3 MET 74 -36.169 29.541 13.933 565 HG2 MET 74 HG2 MET 74 -36.417 27.456 11.821 566 HG3 MET 74 HG3 MET 74 -35.251 28.742 11.961 567 HE1 MET 74 HE1 MET 74 -33.826 26.735 10.975 568 HE2 MET 74 HE2 MET 74 -34.129 25.115 11.628 569 HE3 MET 74 HE3 MET 74 -32.675 25.966 12.088 570 H GLY 75 H GLY 75 -39.908 28.654 14.564 571 HA2 GLY 75 HA2 GLY 75 -39.644 30.631 16.730 572 HA3 GLY 75 HA3 GLY 75 -41.070 30.253 15.767 573 H GLY 76 H GLY 76 -40.042 27.334 16.713 574 HA2 GLY 76 HA2 GLY 76 -40.087 26.085 18.630 575 HA3 GLY 76 HA3 GLY 76 -41.135 27.188 19.396 576 H LYS 77 H LYS 77 -42.325 26.230 16.356 577 HA LYS 77 HA LYS 77 -44.577 25.160 17.749 578 HB2 LYS 77 HB2 LYS 77 -44.872 27.158 16.199 579 HB3 LYS 77 HB3 LYS 77 -44.090 26.286 14.864 580 HG2 LYS 77 HG2 LYS 77 -45.857 24.684 14.566 581 HG3 LYS 77 HG3 LYS 77 -46.781 25.269 15.987 582 HD2 LYS 77 HD2 LYS 77 -47.883 26.343 14.233 583 HD3 LYS 77 HD3 LYS 77 -46.822 27.625 14.805 584 HE2 LYS 77 HE2 LYS 77 -45.015 27.157 12.964 585 HE3 LYS 77 HE3 LYS 77 -46.185 26.028 12.289 586 HZ1 LYS 77 HZ1 LYS 77 -46.768 28.860 12.887 587 HZ2 LYS 77 HZ2 LYS 77 -47.779 27.672 12.289 588 HZ3 LYS 77 HZ3 LYS 77 -46.522 28.264 11.290 589 H THR 78 H THR 78 -45.141 23.271 17.757 590 HA THR 78 HA THR 78 -43.723 21.047 16.616 591 HB THR 78 HB THR 78 -46.318 20.788 18.054 592 HG1 THR 78 HG1 THR 78 -44.859 21.737 19.268 593 HG21 THR 78 HG21 THR 78 -45.283 18.627 18.637 594 HG22 THR 78 HG22 THR 78 -43.956 18.864 17.586 595 HG23 THR 78 HG23 THR 78 -45.607 18.584 16.855 596 H PHE 79 H PHE 79 -44.219 19.909 14.725 597 HA PHE 79 HA PHE 79 -47.009 19.665 13.963 598 HB2 PHE 79 HB2 PHE 79 -46.816 20.269 11.629 599 HB3 PHE 79 HB3 PHE 79 -46.687 21.594 12.743 600 HD1 PHE 79 HD1 PHE 79 -43.702 21.729 13.398 601 HD2 PHE 79 HD2 PHE 79 -45.843 21.083 9.693 602 HE1 PHE 79 HE1 PHE 79 -41.792 22.509 12.150 603 HE2 PHE 79 HE2 PHE 79 -43.920 22.009 8.450 604 HZ PHE 79 HZ PHE 79 -41.869 22.714 9.663 605 H LYS 80 H LYS 80 -46.806 18.292 11.537 606 HA LYS 80 HA LYS 80 -45.432 15.834 12.569 607 HB2 LYS 80 HB2 LYS 80 -47.272 14.499 12.459 608 HB3 LYS 80 HB3 LYS 80 -47.773 15.907 13.366 609 HG2 LYS 80 HG2 LYS 80 -48.536 15.167 10.511 610 HG3 LYS 80 HG3 LYS 80 -49.540 15.078 11.947 611 HD2 LYS 80 HD2 LYS 80 -49.474 17.551 12.171 612 HD3 LYS 80 HD3 LYS 80 -48.518 17.643 10.663 613 HE2 LYS 80 HE2 LYS 80 -50.314 16.451 9.448 614 HE3 LYS 80 HE3 LYS 80 -51.272 16.360 10.928 615 HZ1 LYS 80 HZ1 LYS 80 -51.358 18.785 10.949 616 HZ2 LYS 80 HZ2 LYS 80 -51.968 18.212 9.536 617 HZ3 LYS 80 HZ3 LYS 80 -50.464 18.869 9.565 618 H ALA 81 H ALA 81 -43.926 15.113 11.077 619 HA ALA 81 HA ALA 81 -44.926 14.084 8.777 620 HB1 ALA 81 HB1 ALA 81 -43.049 15.024 7.341 621 HB2 ALA 81 HB2 ALA 81 -42.521 16.125 8.670 622 HB3 ALA 81 HB3 ALA 81 -44.157 16.323 7.763 623 H THR 82 H THR 82 -43.000 12.799 7.669 624 HA THR 82 HA THR 82 -41.706 11.206 9.768 625 HB THR 82 HB THR 82 -41.344 10.898 6.839 626 HG1 THR 82 HG1 THR 82 -43.586 10.558 6.992 627 HG21 THR 82 HG21 THR 82 -41.505 8.830 9.158 628 HG22 THR 82 HG22 THR 82 -40.000 9.661 8.536 629 HG23 THR 82 HG23 THR 82 -40.931 8.752 7.367 630 H VAL 83 H VAL 83 -40.000 12.292 10.585 631 HA VAL 83 HA VAL 83 -38.158 13.770 9.035 632 HB VAL 83 HB VAL 83 -37.496 12.140 11.600 633 HG11 VAL 83 HG11 VAL 83 -36.210 14.382 10.000 634 HG12 VAL 83 HG12 VAL 83 -35.461 12.795 10.262 635 HG13 VAL 83 HG13 VAL 83 -35.588 13.823 11.666 636 HG21 VAL 83 HG21 VAL 83 -37.942 14.585 12.508 637 HG22 VAL 83 HG22 VAL 83 -39.304 13.534 12.303 638 HG23 VAL 83 HG23 VAL 83 -38.857 14.731 10.998 639 H GLN 84 H GLN 84 -37.001 12.844 7.275 640 HA GLN 84 HA GLN 84 -36.406 9.939 7.303 641 HB2 GLN 84 HB2 GLN 84 -36.609 12.041 5.220 642 HB3 GLN 84 HB3 GLN 84 -35.658 10.571 4.895 643 HG2 GLN 84 HG2 GLN 84 -37.751 9.252 5.172 644 HG3 GLN 84 HG3 GLN 84 -38.720 10.707 5.670 645 HE21 GLN 84 HE21 GLN 84 -39.786 9.361 3.752 646 HE22 GLN 84 HE22 GLN 84 -39.759 10.299 2.207 647 H MET 85 H MET 85 -34.409 9.095 6.644 648 HA MET 85 HA MET 85 -32.146 10.939 6.920 649 HB2 MET 85 HB2 MET 85 -32.542 10.105 9.154 650 HB3 MET 85 HB3 MET 85 -32.348 8.433 8.608 651 HG2 MET 85 HG2 MET 85 -30.016 8.877 8.004 652 HG3 MET 85 HG3 MET 85 -30.230 10.604 8.330 653 HE1 MET 85 HE1 MET 85 -27.765 9.103 9.540 654 HE2 MET 85 HE2 MET 85 -27.798 9.742 11.198 655 HE3 MET 85 HE3 MET 85 -28.172 10.817 9.829 656 H GLU 86 H GLU 86 -30.867 10.712 5.217 657 HA GLU 86 HA GLU 86 -30.766 8.028 3.849 658 HB2 GLU 86 HB2 GLU 86 -31.526 10.721 2.711 659 HB3 GLU 86 HB3 GLU 86 -31.194 9.280 1.735 660 HG2 GLU 86 HG2 GLU 86 -33.112 8.132 2.807 661 HG3 GLU 86 HG3 GLU 86 -33.452 9.586 3.762 662 H GLY 87 H GLY 87 -28.607 7.571 3.967 663 HA2 GLY 87 HA2 GLY 87 -26.230 7.740 3.412 664 HA3 GLY 87 HA3 GLY 87 -26.573 9.155 2.517 665 H GLY 88 H GLY 88 -27.824 9.080 5.638 666 HA2 GLY 88 HA2 GLY 88 -27.205 10.075 7.524 667 HA3 GLY 88 HA3 GLY 88 -25.499 10.371 6.883 668 H LYS 89 H LYS 89 -28.263 11.484 5.054 669 HA LYS 89 HA LYS 89 -27.979 14.269 6.111 670 HB2 LYS 89 HB2 LYS 89 -28.826 15.130 4.175 671 HB3 LYS 89 HB3 LYS 89 -27.908 13.760 3.558 672 HG2 LYS 89 HG2 LYS 89 -30.218 12.507 3.616 673 HG3 LYS 89 HG3 LYS 89 -30.914 14.104 3.871 674 HD2 LYS 89 HD2 LYS 89 -29.901 14.919 1.778 675 HD3 LYS 89 HD3 LYS 89 -29.146 13.348 1.496 676 HE2 LYS 89 HE2 LYS 89 -32.067 13.229 2.068 677 HE3 LYS 89 HE3 LYS 89 -31.683 14.129 0.596 678 HZ1 LYS 89 HZ1 LYS 89 -30.575 11.450 1.114 679 HZ2 LYS 89 HZ2 LYS 89 -30.714 12.213 -0.343 680 HZ3 LYS 89 HZ3 LYS 89 -32.050 11.618 0.451 681 H LEU 90 H LEU 90 -29.805 15.311 6.991 682 HA LEU 90 HA LEU 90 -32.140 13.541 7.673 683 HB2 LEU 90 HB2 LEU 90 -31.039 15.982 9.097 684 HB3 LEU 90 HB3 LEU 90 -32.546 15.162 9.517 685 HG LEU 90 HG LEU 90 -29.870 13.722 9.594 686 HD11 LEU 90 HD11 LEU 90 -29.816 15.635 11.102 687 HD12 LEU 90 HD12 LEU 90 -29.979 14.145 12.034 688 HD13 LEU 90 HD13 LEU 90 -31.397 15.187 11.777 689 HD21 LEU 90 HD21 LEU 90 -31.108 12.193 11.090 690 HD22 LEU 90 HD22 LEU 90 -31.893 12.282 9.506 691 HD23 LEU 90 HD23 LEU 90 -32.585 13.162 10.881 692 H VAL 91 H VAL 91 -34.130 14.164 7.130 693 HA VAL 91 HA VAL 91 -34.555 16.623 5.511 694 HB VAL 91 HB VAL 91 -33.652 15.358 3.873 695 HG11 VAL 91 HG11 VAL 91 -32.967 13.377 4.932 696 HG12 VAL 91 HG12 VAL 91 -33.827 12.937 3.450 697 HG13 VAL 91 HG13 VAL 91 -34.626 12.794 5.013 698 HG21 VAL 91 HG21 VAL 91 -35.275 14.416 2.352 699 HG22 VAL 91 HG22 VAL 91 -35.986 15.836 3.145 700 HG23 VAL 91 HG23 VAL 91 -36.441 14.190 3.656 701 H VAL 92 H VAL 92 -36.647 17.243 5.146 702 HA VAL 92 HA VAL 92 -38.776 15.317 5.751 703 HB VAL 92 HB VAL 92 -40.330 17.183 6.574 704 HG11 VAL 92 HG11 VAL 92 -39.384 15.160 7.935 705 HG12 VAL 92 HG12 VAL 92 -39.956 16.564 8.839 706 HG13 VAL 92 HG13 VAL 92 -38.103 16.227 8.535 707 HG21 VAL 92 HG21 VAL 92 -39.289 18.982 7.797 708 HG22 VAL 92 HG22 VAL 92 -38.731 19.028 6.000 709 HG23 VAL 92 HG23 VAL 92 -37.702 18.425 7.403 710 H ASN 93 H ASN 93 -40.734 15.658 4.750 711 HA ASN 93 HA ASN 93 -40.758 17.653 2.544 712 HB2 ASN 93 HB2 ASN 93 -42.034 14.863 2.398 713 HB3 ASN 93 HB3 ASN 93 -41.605 15.953 0.989 714 HD21 ASN 93 HD21 ASN 93 -40.732 13.032 2.139 715 HD22 ASN 93 HD22 ASN 93 -39.059 13.105 1.739 716 H PHE 94 H PHE 94 -42.430 18.841 2.700 717 HA PHE 94 HA PHE 94 -45.029 17.710 3.618 718 HB2 PHE 94 HB2 PHE 94 -44.102 20.592 3.890 719 HB3 PHE 94 HB3 PHE 94 -45.698 20.006 4.259 720 HD1 PHE 94 HD1 PHE 94 -42.116 19.795 5.342 721 HD2 PHE 94 HD2 PHE 94 -46.232 19.049 6.377 722 HE1 PHE 94 HE1 PHE 94 -41.463 19.447 7.715 723 HE2 PHE 94 HE2 PHE 94 -45.563 18.665 8.738 724 HZ PHE 94 HZ PHE 94 -43.182 18.875 9.408 725 HA PRO 95 HA PRO 95 -46.247 18.662 -0.448 726 HB2 PRO 95 HB2 PRO 95 -48.432 20.512 0.763 727 HB3 PRO 95 HB3 PRO 95 -48.544 19.400 -0.666 728 HG2 PRO 95 HG2 PRO 95 -49.506 18.579 1.598 729 HG3 PRO 95 HG3 PRO 95 -48.344 17.513 0.791 730 HD2 PRO 95 HD2 PRO 95 -47.504 19.149 3.217 731 HD3 PRO 95 HD3 PRO 95 -47.061 17.479 2.562 732 H ASN 96 H ASN 96 -46.063 21.619 1.501 733 HA ASN 96 HA ASN 96 -45.268 23.024 -0.820 734 HB2 ASN 96 HB2 ASN 96 -45.279 24.945 0.462 735 HB3 ASN 96 HB3 ASN 96 -46.905 23.969 0.392 736 HD21 ASN 96 HD21 ASN 96 -46.442 26.111 2.488 737 HD22 ASN 96 HD22 ASN 96 -45.860 25.214 3.920 738 H TYR 97 H TYR 97 -43.905 21.708 2.282 739 HA TYR 97 HA TYR 97 -41.418 23.327 2.006 740 HB2 TYR 97 HB2 TYR 97 -42.608 23.908 3.998 741 HB3 TYR 97 HB3 TYR 97 -42.639 22.228 4.515 742 HD1 TYR 97 HD1 TYR 97 -40.156 24.746 3.314 743 HD2 TYR 97 HD2 TYR 97 -40.979 21.596 6.130 744 HE1 TYR 97 HE1 TYR 97 -37.851 24.953 4.178 745 HE2 TYR 97 HE2 TYR 97 -38.679 21.876 7.063 746 HH TYR 97 HH TYR 97 -36.272 24.075 5.680 747 H HIS 98 H HIS 98 -39.413 22.474 1.997 748 HA HIS 98 HA HIS 98 -39.105 19.696 2.626 749 HB2 HIS 98 HB2 HIS 98 -39.291 19.344 0.226 750 HB3 HIS 98 HB3 HIS 98 -38.315 20.831 -0.048 751 HD1 HIS 98 HD1 HIS 98 -37.725 17.192 0.919 752 HD2 HIS 98 HD2 HIS 98 -35.471 20.567 -0.066 753 HE1 HIS 98 HE1 HIS 98 -35.330 16.482 0.846 754 H GLN 99 H GLN 99 -37.237 19.123 3.730 755 HA GLN 99 HA GLN 99 -35.193 21.310 4.063 756 HB2 GLN 99 HB2 GLN 99 -36.762 20.944 6.088 757 HB3 GLN 99 HB3 GLN 99 -35.988 19.392 6.271 758 HG2 GLN 99 HG2 GLN 99 -33.928 21.460 6.049 759 HG3 GLN 99 HG3 GLN 99 -35.106 21.937 7.252 760 HE21 GLN 99 HE21 GLN 99 -32.920 19.204 6.359 761 HE22 GLN 99 HE22 GLN 99 -33.115 18.432 7.903 762 H THR 100 H THR 100 -33.048 20.597 4.205 763 HA THR 100 HA THR 100 -32.397 17.829 4.553 764 HB THR 100 HB THR 100 -30.764 18.623 2.233 765 HG1 THR 100 HG1 THR 100 -32.439 20.083 1.776 766 HG21 THR 100 HG21 THR 100 -32.220 16.691 1.126 767 HG22 THR 100 HG22 THR 100 -33.289 16.924 2.591 768 HG23 THR 100 HG23 THR 100 -31.614 16.297 2.847 769 H SER 101 H SER 101 -30.873 17.627 5.922 770 HA SER 101 HA SER 101 -28.625 19.611 5.767 771 HB2 SER 101 HB2 SER 101 -29.943 18.459 8.232 772 HB3 SER 101 HB3 SER 101 -28.692 19.711 8.136 773 HG SER 101 HG SER 101 -30.193 21.108 7.894 774 H GLU 102 H GLU 102 -26.566 18.893 5.968 775 HA GLU 102 HA GLU 102 -25.838 16.361 6.985 776 HB2 GLU 102 HB2 GLU 102 -25.104 15.195 5.035 777 HB3 GLU 102 HB3 GLU 102 -26.798 15.756 4.844 778 HG2 GLU 102 HG2 GLU 102 -26.186 17.706 3.506 779 HG3 GLU 102 HG3 GLU 102 -24.458 17.306 3.637 780 H ILE 103 H ILE 103 -23.531 15.775 6.831 781 HA ILE 103 HA ILE 103 -22.055 18.289 7.223 782 HB ILE 103 HB ILE 103 -22.347 16.687 9.046 783 HG12 ILE 103 HG12 ILE 103 -20.609 18.589 9.069 784 HG13 ILE 103 HG13 ILE 103 -20.541 17.060 10.119 785 HG21 ILE 103 HG21 ILE 103 -20.142 15.226 7.441 786 HG22 ILE 103 HG22 ILE 103 -21.685 14.483 7.948 787 HG23 ILE 103 HG23 ILE 103 -20.389 15.047 9.189 788 HD11 ILE 103 HD11 ILE 103 -18.507 16.256 8.861 789 HD12 ILE 103 HD12 ILE 103 -18.298 17.928 9.400 790 HD13 ILE 103 HD13 ILE 103 -18.794 17.578 7.662 791 H VAL 104 H VAL 104 -20.136 18.862 6.261 792 HA VAL 104 HA VAL 104 -19.195 16.942 4.174 793 HB VAL 104 HB VAL 104 -19.873 19.900 3.832 794 HG11 VAL 104 HG11 VAL 104 -18.320 18.012 1.784 795 HG12 VAL 104 HG12 VAL 104 -17.681 19.529 2.369 796 HG13 VAL 104 HG13 VAL 104 -19.039 19.521 1.297 797 HG21 VAL 104 HG21 VAL 104 -21.809 18.393 3.393 798 HG22 VAL 104 HG22 VAL 104 -20.867 17.478 2.293 799 HG23 VAL 104 HG23 VAL 104 -21.429 19.260 1.897 800 H GLY 105 H GLY 105 -17.027 16.684 4.538 801 HA2 GLY 105 HA2 GLY 105 -15.039 16.714 5.763 802 HA3 GLY 105 HA3 GLY 105 -15.080 18.438 5.321 803 H ASP 106 H ASP 106 -15.128 19.860 7.187 804 HA ASP 106 HA ASP 106 -15.982 18.489 9.681 805 HB2 ASP 106 HB2 ASP 106 -13.589 19.416 9.402 806 HB3 ASP 106 HB3 ASP 106 -14.396 21.134 9.359 807 H LYS 107 H LYS 107 -17.034 20.509 7.231 808 HA LYS 107 HA LYS 107 -18.370 22.617 8.860 809 HB2 LYS 107 HB2 LYS 107 -17.966 22.063 5.930 810 HB3 LYS 107 HB3 LYS 107 -18.876 23.518 6.527 811 HG2 LYS 107 HG2 LYS 107 -16.767 23.952 8.029 812 HG3 LYS 107 HG3 LYS 107 -15.909 22.910 6.908 813 HD2 LYS 107 HD2 LYS 107 -16.468 24.367 4.982 814 HD3 LYS 107 HD3 LYS 107 -17.649 25.211 6.035 815 HE2 LYS 107 HE2 LYS 107 -15.576 26.263 7.139 816 HE3 LYS 107 HE3 LYS 107 -14.464 25.129 6.167 817 HZ1 LYS 107 HZ1 LYS 107 -14.985 26.212 4.307 818 HZ2 LYS 107 HZ2 LYS 107 -14.766 27.526 5.296 819 HZ3 LYS 107 HZ3 LYS 107 -16.325 27.095 4.824 820 H LEU 108 H LEU 108 -20.597 22.880 8.819 821 HA LEU 108 HA LEU 108 -22.073 20.376 8.112 822 HB2 LEU 108 HB2 LEU 108 -21.239 20.543 10.383 823 HB3 LEU 108 HB3 LEU 108 -22.112 22.054 10.624 824 HG LEU 108 HG LEU 108 -24.123 21.043 10.639 825 HD11 LEU 108 HD11 LEU 108 -24.331 19.591 8.783 826 HD12 LEU 108 HD12 LEU 108 -22.909 18.677 9.276 827 HD13 LEU 108 HD13 LEU 108 -24.431 18.468 10.135 828 HD21 LEU 108 HD21 LEU 108 -22.295 18.999 11.910 829 HD22 LEU 108 HD22 LEU 108 -24.030 19.215 12.248 830 HD23 LEU 108 HD23 LEU 108 -22.918 20.506 12.635 831 H VAL 109 H VAL 109 -23.747 20.504 6.799 832 HA VAL 109 HA VAL 109 -24.416 23.236 5.672 833 HB VAL 109 HB VAL 109 -23.666 20.802 4.119 834 HG11 VAL 109 HG11 VAL 109 -23.241 22.927 2.544 835 HG12 VAL 109 HG12 VAL 109 -24.387 23.747 3.528 836 HG13 VAL 109 HG13 VAL 109 -25.017 22.361 2.655 837 HG21 VAL 109 HG21 VAL 109 -21.706 21.757 5.526 838 HG22 VAL 109 HG22 VAL 109 -21.999 23.384 4.800 839 HG23 VAL 109 HG23 VAL 109 -21.456 21.976 3.848 840 H GLU 110 H GLU 110 -26.241 23.515 4.658 841 HA GLU 110 HA GLU 110 -28.204 21.331 4.475 842 HB2 GLU 110 HB2 GLU 110 -28.776 22.046 6.586 843 HB3 GLU 110 HB3 GLU 110 -28.525 23.757 6.231 844 HG2 GLU 110 HG2 GLU 110 -30.551 23.762 4.816 845 HG3 GLU 110 HG3 GLU 110 -30.810 22.054 5.171 846 H VAL 111 H VAL 111 -29.807 21.575 2.879 847 HA VAL 111 HA VAL 111 -30.125 24.127 1.670 848 HB VAL 111 HB VAL 111 -28.878 22.941 -0.006 849 HG11 VAL 111 HG11 VAL 111 -30.695 20.509 0.503 850 HG12 VAL 111 HG12 VAL 111 -29.034 20.771 0.870 851 HG13 VAL 111 HG13 VAL 111 -29.611 20.567 -0.875 852 HG21 VAL 111 HG21 VAL 111 -31.851 22.985 -0.743 853 HG22 VAL 111 HG22 VAL 111 -30.595 22.726 -1.904 854 HG23 VAL 111 HG23 VAL 111 -30.518 24.279 -0.994 855 H SER 112 H SER 112 -32.375 24.659 1.669 856 HA SER 112 HA SER 112 -34.326 22.423 2.135 857 HB2 SER 112 HB2 SER 112 -33.793 24.964 3.679 858 HB3 SER 112 HB3 SER 112 -35.268 24.035 4.046 859 HG SER 112 HG SER 112 -32.931 23.605 5.120 860 H THR 113 H THR 113 -36.685 23.391 1.899 861 HA THR 113 HA THR 113 -36.811 25.641 0.011 862 HB THR 113 HB THR 113 -37.734 22.840 -0.642 863 HG1 THR 113 HG1 THR 113 -35.560 24.139 -1.847 864 HG21 THR 113 HG21 THR 113 -38.021 23.508 -2.923 865 HG22 THR 113 HG22 THR 113 -37.431 25.139 -2.591 866 HG23 THR 113 HG23 THR 113 -38.978 24.596 -1.903 867 H ILE 114 H ILE 114 -38.839 26.724 0.050 868 HA ILE 114 HA ILE 114 -41.164 25.133 1.033 869 HB ILE 114 HB ILE 114 -41.630 28.032 1.231 870 HG12 ILE 114 HG12 ILE 114 -40.804 28.114 3.603 871 HG13 ILE 114 HG13 ILE 114 -39.692 26.803 3.190 872 HG21 ILE 114 HG21 ILE 114 -43.272 26.261 1.756 873 HG22 ILE 114 HG22 ILE 114 -42.974 27.374 3.107 874 HG23 ILE 114 HG23 ILE 114 -42.255 25.756 3.116 875 HD11 ILE 114 HD11 ILE 114 -38.654 28.979 3.018 876 HD12 ILE 114 HD12 ILE 114 -39.871 29.545 1.852 877 HD13 ILE 114 HD13 ILE 114 -38.704 28.286 1.400 878 H GLY 115 H GLY 115 -42.831 24.850 -0.971 879 HA2 GLY 115 HA2 GLY 115 -44.121 25.775 -2.579 880 HA3 GLY 115 HA3 GLY 115 -43.532 27.270 -1.885 881 H GLY 116 H GLY 116 -40.993 25.081 -2.816 882 HA2 GLY 116 HA2 GLY 116 -39.740 24.884 -4.787 883 HA3 GLY 116 HA3 GLY 116 -40.843 25.988 -5.605 884 H VAL 117 H VAL 117 -39.984 27.980 -2.865 885 HA VAL 117 HA VAL 117 -37.424 28.787 -4.078 886 HB VAL 117 HB VAL 117 -38.980 30.440 -3.731 887 HG11 VAL 117 HG11 VAL 117 -39.704 31.009 -1.253 888 HG12 VAL 117 HG12 VAL 117 -39.058 29.428 -0.986 889 HG13 VAL 117 HG13 VAL 117 -40.385 29.660 -2.239 890 HG21 VAL 117 HG21 VAL 117 -36.339 30.845 -3.084 891 HG22 VAL 117 HG22 VAL 117 -36.887 30.567 -1.373 892 HG23 VAL 117 HG23 VAL 117 -37.534 31.974 -2.237 893 H THR 118 H THR 118 -35.516 28.750 -3.071 894 HA THR 118 HA THR 118 -35.266 26.721 -0.894 895 HB THR 118 HB THR 118 -33.712 27.162 -3.450 896 HG1 THR 118 HG1 THR 118 -34.378 25.133 -3.880 897 HG21 THR 118 HG21 THR 118 -32.286 25.242 -2.878 898 HG22 THR 118 HG22 THR 118 -32.960 25.218 -1.240 899 HG23 THR 118 HG23 THR 118 -31.992 26.600 -1.797 900 H TYR 119 H TYR 119 -33.604 26.952 0.590 901 HA TYR 119 HA TYR 119 -31.740 29.196 0.387 902 HB2 TYR 119 HB2 TYR 119 -33.375 30.110 1.845 903 HB3 TYR 119 HB3 TYR 119 -33.449 28.630 2.764 904 HD1 TYR 119 HD1 TYR 119 -29.961 29.753 2.420 905 HD2 TYR 119 HD2 TYR 119 -33.621 30.365 4.547 906 HE1 TYR 119 HE1 TYR 119 -28.706 30.807 4.281 907 HE2 TYR 119 HE2 TYR 119 -32.395 31.508 6.368 908 HH TYR 119 HH TYR 119 -30.328 32.156 7.187 909 H GLU 120 H GLU 120 -29.695 28.636 0.544 910 HA GLU 120 HA GLU 120 -29.041 25.895 1.630 911 HB2 GLU 120 HB2 GLU 120 -28.716 26.112 -0.959 912 HB3 GLU 120 HB3 GLU 120 -27.588 27.349 -0.703 913 HG2 GLU 120 HG2 GLU 120 -26.205 25.653 0.733 914 HG3 GLU 120 HG3 GLU 120 -27.461 24.463 0.244 915 H ARG 121 H ARG 121 -27.206 25.818 2.986 916 HA ARG 121 HA ARG 121 -25.961 28.368 3.824 917 HB2 ARG 121 HB2 ARG 121 -26.947 28.106 6.150 918 HB3 ARG 121 HB3 ARG 121 -28.033 28.672 4.898 919 HG2 ARG 121 HG2 ARG 121 -28.089 25.726 5.108 920 HG3 ARG 121 HG3 ARG 121 -28.391 26.494 6.618 921 HD2 ARG 121 HD2 ARG 121 -29.929 27.224 4.116 922 HD3 ARG 121 HD3 ARG 121 -30.421 25.943 5.218 923 HE ARG 121 HE ARG 121 -30.114 28.812 6.032 924 HH11 ARG 121 HH11 ARG 121 -31.973 25.814 6.342 925 HH12 ARG 121 HH12 ARG 121 -33.049 26.541 7.425 926 HH21 ARG 121 HH21 ARG 121 -31.575 29.583 7.624 927 HH22 ARG 121 HH22 ARG 121 -32.932 28.630 7.985 928 H VAL 122 H VAL 122 -24.235 28.203 5.134 929 HA VAL 122 HA VAL 122 -23.229 25.490 5.872 930 HB VAL 122 HB VAL 122 -21.614 27.935 5.077 931 HG11 VAL 122 HG11 VAL 122 -19.723 26.336 4.934 932 HG12 VAL 122 HG12 VAL 122 -20.748 25.078 5.660 933 HG13 VAL 122 HG13 VAL 122 -20.321 26.537 6.583 934 HG21 VAL 122 HG21 VAL 122 -21.061 26.649 3.025 935 HG22 VAL 122 HG22 VAL 122 -22.770 27.061 3.111 936 HG23 VAL 122 HG23 VAL 122 -22.248 25.411 3.494 937 H SER 123 H SER 123 -22.666 25.085 7.821 938 HA SER 123 HA SER 123 -22.113 27.267 9.693 939 HB2 SER 123 HB2 SER 123 -22.820 24.444 10.553 940 HB3 SER 123 HB3 SER 123 -22.759 25.899 11.659 941 HG SER 123 HG SER 123 -24.735 25.167 9.821 942 H LYS 124 H LYS 124 -20.197 27.226 10.960 943 HA LYS 124 HA LYS 124 -18.256 25.131 10.267 944 HB2 LYS 124 HB2 LYS 124 -16.570 26.832 11.039 945 HB3 LYS 124 HB3 LYS 124 -17.506 27.315 9.613 946 HG2 LYS 124 HG2 LYS 124 -19.032 28.450 11.364 947 HG3 LYS 124 HG3 LYS 124 -17.645 28.499 12.472 948 HD2 LYS 124 HD2 LYS 124 -16.290 29.739 10.598 949 HD3 LYS 124 HD3 LYS 124 -17.821 29.737 9.637 950 HE2 LYS 124 HE2 LYS 124 -17.144 31.810 10.878 951 HE3 LYS 124 HE3 LYS 124 -18.779 31.259 11.353 952 HZ1 LYS 124 HZ1 LYS 124 -16.594 30.065 12.882 953 HZ2 LYS 124 HZ2 LYS 124 -17.819 31.081 13.552 954 HZ3 LYS 124 HZ3 LYS 124 -16.385 31.670 12.940 955 H ARG 125 H ARG 125 -17.331 23.706 11.809 956 HA ARG 125 HA ARG 125 -18.459 23.564 14.441 957 HB2 ARG 125 HB2 ARG 125 -17.649 21.544 12.899 958 HB3 ARG 125 HB3 ARG 125 -15.991 22.055 13.093 959 HG2 ARG 125 HG2 ARG 125 -15.860 21.417 15.308 960 HG3 ARG 125 HG3 ARG 125 -17.649 21.571 15.562 961 HD2 ARG 125 HD2 ARG 125 -18.051 19.392 14.330 962 HD3 ARG 125 HD3 ARG 125 -16.356 19.241 13.868 963 HE ARG 125 HE ARG 125 -15.835 19.349 16.309 964 HH11 ARG 125 HH11 ARG 125 -18.614 17.521 14.869 965 HH12 ARG 125 HH12 ARG 125 -19.200 17.055 16.336 966 HH21 ARG 125 HH21 ARG 125 -16.373 18.078 18.132 967 HH22 ARG 125 HH22 ARG 125 -17.619 17.012 18.016 968 H LEU 126 H LEU 126 -17.433 23.853 16.386 969 HA LEU 126 HA LEU 126 -14.699 24.047 16.356 970 HB2 LEU 126 HB2 LEU 126 -14.120 26.297 17.604 971 HB3 LEU 126 HB3 LEU 126 -14.866 26.554 16.000 972 HG LEU 126 HG LEU 126 -15.505 28.101 17.408 973 HD11 LEU 126 HD11 LEU 126 -18.080 26.311 17.114 974 HD12 LEU 126 HD12 LEU 126 -17.230 27.187 15.786 975 HD13 LEU 126 HD13 LEU 126 -17.935 28.139 17.189 976 HD21 LEU 126 HD21 LEU 126 -16.793 26.208 19.509 977 HD22 LEU 126 HD22 LEU 126 -16.791 28.007 19.414 978 HD23 LEU 126 HD23 LEU 126 -15.231 27.050 19.547 979 H ALA 127 H ALA 127 -17.734 23.809 17.985 980 HA ALA 127 HA ALA 127 -18.391 22.416 19.503 981 HB1 ALA 127 HB1 ALA 127 -15.665 21.154 19.095 982 HB2 ALA 127 HB2 ALA 127 -17.018 20.831 17.947 983 HB3 ALA 127 HB3 ALA 127 -17.173 20.225 19.646 984 H12 GCH 201 H12 GCH 128 -26.574 17.827 11.532 985 H1 GCH 201 H1 GCH 128 -29.288 18.166 12.032 986 H10 GCH 201 H10 GCH 128 -28.803 19.752 10.529 987 H11 GCH 201 H11 GCH 128 -27.496 18.777 9.672 988 H9 GCH 201 H9 GCH 128 -25.862 19.997 10.793 989 H4 GCH 201 H4 GCH 128 -27.574 21.026 14.049 990 H5 GCH 201 H5 GCH 128 -28.818 20.452 12.910 991 H2 GCH 201 H2 GCH 128 -27.581 18.603 13.946 992 H3 GCH 201 H3 GCH 128 -26.088 19.293 13.214 993 H6 GCH 201 H6 GCH 128 -25.154 21.200 12.982 994 H7 GCH 201 H7 GCH 128 -25.150 22.504 11.725 995 H8 GCH 201 H8 GCH 128 -25.834 22.784 13.302 996 H17 GCH 201 H17 GCH 128 -26.576 20.743 8.596 997 H18 GCH 201 H18 GCH 128 -25.615 21.986 9.548 998 H16 GCH 201 H16 GCH 128 -27.276 23.069 8.286 999 H13 GCH 201 H13 GCH 128 -29.427 22.795 8.691 1000 H15 GCH 201 H15 GCH 128 -26.468 23.765 10.689 1001 H14 GCH 201 H14 GCH 128 -29.055 22.364 11.335 1002 H41 GCH 201 H41 GCH 128 -28.871 23.028 13.687 1003 H42 GCH 201 H42 GCH 128 -27.444 24.101 13.317 1004 H40 GCH 201 H40 GCH 128 -29.264 25.450 13.344 1005 H35 GCH 201 H35 GCH 128 -29.421 24.324 9.912 1006 H33 GCH 201 H33 GCH 128 -28.439 25.081 8.041 1007 H34 GCH 201 H34 GCH 128 -26.886 25.515 8.892 1008 H31 GCH 201 H31 GCH 128 -29.251 27.210 8.308 1009 H32 GCH 201 H32 GCH 128 -27.741 27.553 9.124 1010 H30 GCH 201 H30 GCH 128 -30.354 26.344 10.436 1011 H29 GCH 201 H29 GCH 128 -30.322 28.670 10.506 1012 H19 GCH 201 H19 GCH 128 -27.717 28.731 12.164 1013 H20 GCH 201 H20 GCH 128 -27.763 28.989 10.488 1014 H21 GCH 201 H21 GCH 128 -28.683 30.120 11.590 1015 H27 GCH 201 H27 GCH 128 -30.672 26.878 12.540 1016 H28 GCH 201 H28 GCH 128 -29.769 28.322 13.336 1017 H25 GCH 201 H25 GCH 128 -32.527 28.316 11.890 1018 H26 GCH 201 H26 GCH 128 -32.214 28.542 13.602 1019 H24 GCH 201 H24 GCH 128 -31.719 30.103 10.375 1020 H22 GCH 201 H22 GCH 128 -30.322 32.474 10.881 1021 H23 GCH 201 H23 GCH 128 -32.086 32.817 11.200 1022 H36 GCH 201 H36 GCH 128 -26.857 27.115 11.168 1023 H37 GCH 201 H37 GCH 128 -27.144 26.216 12.805 1024 H38 GCH 201 H38 GCH 128 -26.326 25.435 11.407 1025 H39 GCH 201 H39 GCH 128 -30.397 23.791 11.469 1026 H11 CHO 202 H11 CHO 129 -38.051 17.538 10.768 1027 H12 CHO 202 H12 CHO 129 -36.979 16.331 11.601 1028 H21 CHO 202 H21 CHO 129 -36.060 16.444 9.454 1029 H22 CHO 202 H22 CHO 129 -35.918 18.157 9.396 1030 H3 CHO 202 H3 CHO 129 -34.449 16.011 10.934 1031 HO3 CHO 202 HO3 CHO 129 -33.678 18.402 9.597 1032 H41 CHO 202 H41 CHO 129 -33.419 17.532 12.502 1033 H42 CHO 202 H42 CHO 129 -33.971 18.973 11.588 1034 H5 CHO 202 H5 CHO 129 -35.600 17.239 13.362 1035 H61 CHO 202 H61 CHO 129 -35.598 19.083 14.935 1036 H62 CHO 202 H62 CHO 129 -33.981 19.166 14.252 1037 H7 CHO 202 H7 CHO 129 -35.653 21.323 14.383 1038 HO7 CHO 202 HO7 CHO 129 -33.455 21.159 13.531 1039 H8 CHO 202 H8 CHO 129 -37.530 20.916 13.214 1040 H9 CHO 202 H9 CHO 129 -35.702 19.889 10.929 1041 H111 CHO 202 H111 CHO 129 -37.600 19.396 9.607 1042 H112 CHO 202 H112 CHO 129 -38.777 19.987 10.928 1043 H121 CHO 202 H121 CHO 129 -38.704 21.725 9.406 1044 H122 CHO 202 H122 CHO 129 -36.920 21.747 9.137 1045 H14 CHO 202 H14 CHO 129 -35.505 22.169 11.278 1046 H151 CHO 202 H151 CHO 129 -36.765 23.540 13.647 1047 H152 CHO 202 H152 CHO 129 -35.229 23.776 12.880 1048 H161 CHO 202 H161 CHO 129 -37.784 25.203 12.102 1049 H162 CHO 202 H162 CHO 129 -36.144 25.515 11.604 1050 H17 CHO 202 H17 CHO 129 -36.156 23.750 10.036 1051 H181 CHO 202 H181 CHO 129 -38.911 22.171 12.874 1052 H182 CHO 202 H182 CHO 129 -39.333 23.536 11.952 1053 H183 CHO 202 H183 CHO 129 -39.839 21.967 11.249 1054 H191 CHO 202 H191 CHO 129 -37.800 17.168 13.681 1055 H192 CHO 202 H192 CHO 129 -37.560 18.960 14.061 1056 H193 CHO 202 H193 CHO 129 -38.804 18.456 12.856 1057 H20 CHO 202 H20 CHO 129 -38.161 23.954 8.640 1058 H211 CHO 202 H211 CHO 129 -36.416 26.208 9.572 1059 H212 CHO 202 H212 CHO 129 -36.258 25.258 8.083 1060 H213 CHO 202 H213 CHO 129 -37.638 26.488 8.216 1061 H221 CHO 202 H221 CHO 129 -39.956 25.330 8.828 1062 H222 CHO 202 H222 CHO 129 -40.078 24.602 10.300 1063 H231 CHO 202 H231 CHO 129 -38.896 26.754 11.457 1064 H232 CHO 202 H232 CHO 129 -38.934 27.421 9.830 1065 HN CHO 202 HN CHO 129 -40.444 28.726 11.989 1066 H261 CHO 202 H261 CHO 129 -42.675 29.598 11.241 1067 H262 CHO 202 H262 CHO 129 -43.329 27.979 11.755 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -23.705 10.258 13.211 2 H2 ALA 1 H2 ALA 1 -22.396 11.262 13.230 3 H3 ALA 1 H3 ALA 1 -23.563 11.481 12.110 4 HA ALA 1 HA ALA 1 -25.152 12.108 13.768 5 HB1 ALA 1 HB1 ALA 1 -24.321 10.723 15.619 6 HB2 ALA 1 HB2 ALA 1 -24.375 12.423 16.109 7 HB3 ALA 1 HB3 ALA 1 -22.823 11.682 15.692 8 H PHE 2 H PHE 2 -25.315 14.296 14.510 9 HA PHE 2 HA PHE 2 -23.473 16.104 13.020 10 HB2 PHE 2 HB2 PHE 2 -26.304 16.482 14.076 11 HB3 PHE 2 HB3 PHE 2 -25.415 17.584 13.034 12 HD1 PHE 2 HD1 PHE 2 -27.195 14.310 13.174 13 HD2 PHE 2 HD2 PHE 2 -25.281 17.220 10.660 14 HE1 PHE 2 HE1 PHE 2 -28.115 13.192 11.150 15 HE2 PHE 2 HE2 PHE 2 -26.288 16.173 8.652 16 HZ PHE 2 HZ PHE 2 -27.721 14.170 8.909 17 H THR 3 H THR 3 -24.303 15.093 16.146 18 HA THR 3 HA THR 3 -24.255 16.635 17.985 19 HB THR 3 HB THR 3 -22.041 14.607 17.898 20 HG1 THR 3 HG1 THR 3 -23.732 13.346 18.781 21 HG21 THR 3 HG21 THR 3 -22.211 14.570 20.476 22 HG22 THR 3 HG22 THR 3 -23.502 15.775 20.402 23 HG23 THR 3 HG23 THR 3 -21.837 16.211 20.024 24 H GLY 4 H GLY 4 -22.928 18.399 19.012 25 HA2 GLY 4 HA2 GLY 4 -20.306 18.896 19.218 26 HA3 GLY 4 HA3 GLY 4 -20.495 19.230 17.494 27 H LYS 5 H LYS 5 -19.740 21.418 17.966 28 HA LYS 5 HA LYS 5 -21.973 23.212 18.690 29 HB2 LYS 5 HB2 LYS 5 -19.877 22.964 20.461 30 HB3 LYS 5 HB3 LYS 5 -19.264 24.254 19.443 31 HG2 LYS 5 HG2 LYS 5 -21.963 24.213 20.869 32 HG3 LYS 5 HG3 LYS 5 -20.521 24.969 21.516 33 HD2 LYS 5 HD2 LYS 5 -21.880 25.868 18.950 34 HD3 LYS 5 HD3 LYS 5 -22.247 26.529 20.518 35 HE2 LYS 5 HE2 LYS 5 -19.534 26.613 19.147 36 HE3 LYS 5 HE3 LYS 5 -20.743 27.889 19.051 37 HZ1 LYS 5 HZ1 LYS 5 -19.128 28.382 20.760 38 HZ2 LYS 5 HZ2 LYS 5 -19.442 26.979 21.558 39 HZ3 LYS 5 HZ3 LYS 5 -20.593 28.156 21.454 40 H PHE 6 H PHE 6 -22.165 24.878 17.310 41 HA PHE 6 HA PHE 6 -20.149 25.367 15.230 42 HB2 PHE 6 HB2 PHE 6 -23.036 24.690 14.423 43 HB3 PHE 6 HB3 PHE 6 -21.759 24.930 13.221 44 HD1 PHE 6 HD1 PHE 6 -23.414 22.711 15.589 45 HD2 PHE 6 HD2 PHE 6 -20.088 23.043 12.841 46 HE1 PHE 6 HE1 PHE 6 -22.825 20.234 15.824 47 HE2 PHE 6 HE2 PHE 6 -19.662 20.663 12.957 48 HZ PHE 6 HZ PHE 6 -20.978 19.261 14.442 49 H GLU 7 H GLU 7 -20.495 27.068 13.920 50 HA GLU 7 HA GLU 7 -22.487 29.059 15.035 51 HB2 GLU 7 HB2 GLU 7 -20.222 29.563 15.877 52 HB3 GLU 7 HB3 GLU 7 -19.638 29.345 14.184 53 HG2 GLU 7 HG2 GLU 7 -21.027 31.585 13.680 54 HG3 GLU 7 HG3 GLU 7 -21.473 31.636 15.419 55 H MET 8 H MET 8 -24.075 29.393 13.362 56 HA MET 8 HA MET 8 -23.029 29.412 10.644 57 HB2 MET 8 HB2 MET 8 -25.110 28.376 11.418 58 HB3 MET 8 HB3 MET 8 -25.776 30.004 11.564 59 HG2 MET 8 HG2 MET 8 -24.575 30.193 9.096 60 HG3 MET 8 HG3 MET 8 -24.723 28.414 9.135 61 HE1 MET 8 HE1 MET 8 -27.279 31.165 10.774 62 HE2 MET 8 HE2 MET 8 -28.499 31.189 9.531 63 HE3 MET 8 HE3 MET 8 -27.050 31.963 9.204 64 H GLU 9 H GLU 9 -22.712 31.086 9.335 65 HA GLU 9 HA GLU 9 -23.432 33.787 10.337 66 HB2 GLU 9 HB2 GLU 9 -21.168 33.142 11.257 67 HB3 GLU 9 HB3 GLU 9 -20.625 32.927 9.595 68 HG2 GLU 9 HG2 GLU 9 -21.330 35.451 9.307 69 HG3 GLU 9 HG3 GLU 9 -21.420 35.476 11.057 70 H SER 10 H SER 10 -24.986 32.666 8.172 71 HA SER 10 HA SER 10 -24.011 34.227 6.139 72 HB2 SER 10 HB2 SER 10 -23.627 31.157 5.883 73 HB3 SER 10 HB3 SER 10 -24.175 32.072 4.461 74 HG SER 10 HG SER 10 -21.984 32.671 6.075 75 H GLU 11 H GLU 11 -25.693 34.474 4.488 76 HA GLU 11 HA GLU 11 -28.179 32.952 5.108 77 HB2 GLU 11 HB2 GLU 11 -28.349 35.694 3.925 78 HB3 GLU 11 HB3 GLU 11 -29.397 34.811 5.016 79 HG2 GLU 11 HG2 GLU 11 -28.676 36.592 6.280 80 HG3 GLU 11 HG3 GLU 11 -27.699 35.255 6.868 81 H LYS 12 H LYS 12 -29.665 32.582 3.371 82 HA LYS 12 HA LYS 12 -29.075 33.686 0.723 83 HB2 LYS 12 HB2 LYS 12 -27.647 31.640 0.772 84 HB3 LYS 12 HB3 LYS 12 -29.037 30.672 1.225 85 HG2 LYS 12 HG2 LYS 12 -28.572 30.336 -1.099 86 HG3 LYS 12 HG3 LYS 12 -30.106 31.193 -0.972 87 HD2 LYS 12 HD2 LYS 12 -28.970 33.328 -1.533 88 HD3 LYS 12 HD3 LYS 12 -27.403 32.485 -1.577 89 HE2 LYS 12 HE2 LYS 12 -28.242 31.032 -3.404 90 HE3 LYS 12 HE3 LYS 12 -29.805 31.853 -3.354 91 HZ1 LYS 12 HZ1 LYS 12 -27.218 33.135 -4.038 92 HZ2 LYS 12 HZ2 LYS 12 -28.666 33.914 -3.980 93 HZ3 LYS 12 HZ3 LYS 12 -28.403 32.749 -5.106 94 H ASN 13 H ASN 13 -31.056 34.529 0.286 95 HA ASN 13 HA ASN 13 -33.305 34.772 0.014 96 HB2 ASN 13 HB2 ASN 13 -32.921 32.741 -1.408 97 HB3 ASN 13 HB3 ASN 13 -33.338 31.725 -0.027 98 HD21 ASN 13 HD21 ASN 13 -35.135 30.784 -0.752 99 HD22 ASN 13 HD22 ASN 13 -36.543 31.700 -1.324 100 H TYR 14 H TYR 14 -32.126 34.349 2.826 101 HA TYR 14 HA TYR 14 -33.692 32.699 4.442 102 HB2 TYR 14 HB2 TYR 14 -32.580 33.892 6.289 103 HB3 TYR 14 HB3 TYR 14 -31.433 33.572 4.966 104 HD1 TYR 14 HD2 TYR 14 -30.626 35.384 3.536 105 HD2 TYR 14 HD1 TYR 14 -33.395 36.155 6.728 106 HE1 TYR 14 HE2 TYR 14 -30.165 37.813 3.348 107 HE2 TYR 14 HE1 TYR 14 -32.933 38.585 6.541 108 HH TYR 14 HH TYR 14 -31.496 39.991 3.948 109 H ASP 15 H ASP 15 -34.161 36.166 3.658 110 HA ASP 15 HA ASP 15 -36.117 36.668 5.697 111 HB2 ASP 15 HB2 ASP 15 -36.504 38.775 4.237 112 HB3 ASP 15 HB3 ASP 15 -35.066 38.579 5.220 113 H GLU 16 H GLU 16 -36.404 36.227 2.185 114 HA GLU 16 HA GLU 16 -39.281 35.988 2.296 115 HB2 GLU 16 HB2 GLU 16 -37.233 35.141 0.231 116 HB3 GLU 16 HB3 GLU 16 -38.963 34.858 0.001 117 HG2 GLU 16 HG2 GLU 16 -37.636 37.584 0.430 118 HG3 GLU 16 HG3 GLU 16 -38.214 36.936 -1.103 119 H PHE 17 H PHE 17 -36.743 33.590 2.700 120 HA PHE 17 HA PHE 17 -38.495 31.327 2.499 121 HB2 PHE 17 HB2 PHE 17 -36.056 31.371 2.034 122 HB3 PHE 17 HB3 PHE 17 -35.736 31.543 3.757 123 HD1 PHE 17 HD2 PHE 17 -36.200 29.566 5.270 124 HD2 PHE 17 HD1 PHE 17 -36.584 29.336 0.988 125 HE1 PHE 17 HE2 PHE 17 -36.044 27.080 5.387 126 HE2 PHE 17 HE1 PHE 17 -36.411 26.866 1.097 127 HZ PHE 17 HZ PHE 17 -36.144 25.743 3.298 128 H MET 18 H MET 18 -37.183 33.006 5.720 129 HA MET 18 HA MET 18 -38.839 31.276 7.056 130 HB2 MET 18 HB2 MET 18 -37.205 33.691 7.950 131 HB3 MET 18 HB3 MET 18 -38.245 32.823 9.126 132 HG2 MET 18 HG2 MET 18 -36.195 31.921 9.412 133 HG3 MET 18 HG3 MET 18 -37.137 30.650 8.562 134 HE1 MET 18 HE1 MET 18 -35.627 29.034 7.552 135 HE2 MET 18 HE2 MET 18 -34.702 29.690 8.884 136 HE3 MET 18 HE3 MET 18 -33.946 29.476 7.262 137 H LYS 19 H LYS 19 -39.472 34.772 5.760 138 HA LYS 19 HA LYS 19 -41.965 35.092 6.822 139 HB2 LYS 19 HB2 LYS 19 -40.797 35.598 4.068 140 HB3 LYS 19 HB3 LYS 19 -42.523 35.970 4.455 141 HG2 LYS 19 HG2 LYS 19 -42.200 37.486 5.932 142 HG3 LYS 19 HG3 LYS 19 -40.489 36.864 6.369 143 HD2 LYS 19 HD2 LYS 19 -40.435 39.051 5.373 144 HD3 LYS 19 HD3 LYS 19 -39.856 38.038 3.898 145 HE2 LYS 19 HE2 LYS 19 -42.775 38.808 4.195 146 HE3 LYS 19 HE3 LYS 19 -41.622 39.966 3.684 147 HZ1 LYS 19 HZ1 LYS 19 -42.226 37.338 2.372 148 HZ2 LYS 19 HZ2 LYS 19 -41.022 38.397 1.803 149 HZ3 LYS 19 HZ3 LYS 19 -42.656 38.803 1.731 150 H LEU 20 H LEU 20 -41.252 32.936 3.872 151 HA LEU 20 HA LEU 20 -43.946 32.096 3.697 152 HB2 LEU 20 HB2 LEU 20 -41.325 31.078 2.716 153 HB3 LEU 20 HB3 LEU 20 -42.765 29.949 2.625 154 HG LEU 20 HG LEU 20 -42.698 32.720 1.272 155 HD11 LEU 20 HD11 LEU 20 -41.050 30.804 0.552 156 HD12 LEU 20 HD12 LEU 20 -42.062 31.647 -0.674 157 HD13 LEU 20 HD13 LEU 20 -42.509 30.042 -0.053 158 HD21 LEU 20 HD21 LEU 20 -45.033 32.007 1.770 159 HD22 LEU 20 HD22 LEU 20 -44.746 30.375 1.247 160 HD23 LEU 20 HD23 LEU 20 -44.656 31.768 0.084 161 H LEU 21 H LEU 21 -41.335 30.730 5.685 162 HA LEU 21 HA LEU 21 -42.860 28.325 6.165 163 HB2 LEU 21 HB2 LEU 21 -40.392 28.673 5.667 164 HB3 LEU 21 HB3 LEU 21 -40.182 28.984 7.369 165 HG LEU 21 HG LEU 21 -40.767 26.694 7.901 166 HD11 LEU 21 HD11 LEU 21 -41.669 26.373 5.020 167 HD12 LEU 21 HD12 LEU 21 -42.641 26.170 6.499 168 HD13 LEU 21 HD13 LEU 21 -41.351 25.021 6.133 169 HD21 LEU 21 HD21 LEU 21 -38.973 25.577 6.874 170 HD22 LEU 21 HD22 LEU 21 -38.541 27.287 6.645 171 HD23 LEU 21 HD23 LEU 21 -39.224 26.387 5.311 172 H GLY 22 H GLY 22 -42.426 31.117 8.148 173 HA2 GLY 22 HA2 GLY 22 -44.986 30.950 8.881 174 HA3 GLY 22 HA3 GLY 22 -44.238 29.982 10.148 175 H ILE 23 H ILE 23 -42.319 32.765 9.040 176 HA ILE 23 HA ILE 23 -42.740 33.852 11.691 177 HB ILE 23 HB ILE 23 -40.091 33.882 10.176 178 HG12 ILE 23 HG12 ILE 23 -41.080 32.096 12.612 179 HG13 ILE 23 HG13 ILE 23 -40.931 31.540 10.870 180 HG21 ILE 23 HG21 ILE 23 -40.988 34.737 13.004 181 HG22 ILE 23 HG22 ILE 23 -39.877 35.538 11.832 182 HG23 ILE 23 HG23 ILE 23 -39.339 34.163 12.836 183 HD11 ILE 23 HD11 ILE 23 -38.959 30.615 11.861 184 HD12 ILE 23 HD12 ILE 23 -38.794 32.053 12.969 185 HD13 ILE 23 HD13 ILE 23 -38.403 32.279 11.290 186 H SER 24 H SER 24 -43.374 36.109 11.742 187 HA SER 24 HA SER 24 -43.193 37.659 9.389 188 HB2 SER 24 HB2 SER 24 -43.463 38.812 12.300 189 HB3 SER 24 HB3 SER 24 -44.116 39.447 10.810 190 HG SER 24 HG SER 24 -45.632 38.644 11.854 191 H SER 25 H SER 25 -41.510 38.456 12.546 192 HA SER 25 HA SER 25 -39.215 39.555 10.959 193 HB2 SER 25 HB2 SER 25 -40.776 41.181 12.989 194 HB3 SER 25 HB3 SER 25 -39.368 41.704 12.039 195 HG SER 25 HG SER 25 -40.828 41.033 10.163 196 H ASP 26 H ASP 26 -40.439 38.254 14.034 197 HA ASP 26 HA ASP 26 -38.380 39.058 15.519 198 HB2 ASP 26 HB2 ASP 26 -40.619 38.203 16.173 199 HB3 ASP 26 HB3 ASP 26 -39.866 36.435 16.073 200 H VAL 27 H VAL 27 -38.407 35.710 14.177 201 HA VAL 27 HA VAL 27 -35.638 35.360 14.991 202 HB VAL 27 HB VAL 27 -37.088 33.931 12.741 203 HG11 VAL 27 HG11 VAL 27 -34.562 33.216 14.265 204 HG12 VAL 27 HG12 VAL 27 -34.625 33.660 12.544 205 HG13 VAL 27 HG13 VAL 27 -35.382 32.170 13.096 206 HG21 VAL 27 HG21 VAL 27 -38.228 33.540 14.874 207 HG22 VAL 27 HG22 VAL 27 -36.666 33.320 15.698 208 HG23 VAL 27 HG23 VAL 27 -37.191 32.152 14.486 209 H ILE 28 H ILE 28 -37.094 36.621 11.915 210 HA ILE 28 HA ILE 28 -34.840 36.401 10.442 211 HB ILE 28 HB ILE 28 -37.255 38.286 10.107 212 HG12 ILE 28 HG12 ILE 28 -36.790 35.321 9.542 213 HG13 ILE 28 HG13 ILE 28 -37.987 36.058 10.580 214 HG21 ILE 28 HG21 ILE 28 -36.823 38.283 7.593 215 HG22 ILE 28 HG22 ILE 28 -35.299 37.276 7.960 216 HG23 ILE 28 HG23 ILE 28 -35.558 38.962 8.594 217 HD11 ILE 28 HD11 ILE 28 -37.806 36.009 7.547 218 HD12 ILE 28 HD12 ILE 28 -39.051 37.003 8.536 219 HD13 ILE 28 HD13 ILE 28 -39.013 35.178 8.669 220 H GLU 29 H GLU 29 -36.016 39.270 12.230 221 HA GLU 29 HA GLU 29 -33.831 40.972 11.267 222 HB2 GLU 29 HB2 GLU 29 -34.616 42.511 12.760 223 HB3 GLU 29 HB3 GLU 29 -36.199 41.679 12.137 224 HG2 GLU 29 HG2 GLU 29 -35.985 40.293 14.340 225 HG3 GLU 29 HG3 GLU 29 -34.757 41.506 14.703 226 H LYS 30 H LYS 30 -34.148 38.785 13.988 227 HA LYS 30 HA LYS 30 -31.564 39.805 14.984 228 HB2 LYS 30 HB2 LYS 30 -31.878 38.593 16.878 229 HB3 LYS 30 HB3 LYS 30 -33.468 39.164 16.447 230 HG2 LYS 30 HG2 LYS 30 -34.012 36.876 15.558 231 HG3 LYS 30 HG3 LYS 30 -32.397 36.347 16.027 232 HD2 LYS 30 HD2 LYS 30 -33.536 35.640 17.841 233 HD3 LYS 30 HD3 LYS 30 -33.131 37.246 18.430 234 HE2 LYS 30 HE2 LYS 30 -35.787 36.308 17.261 235 HE3 LYS 30 HE3 LYS 30 -35.453 36.604 18.957 236 HZ1 LYS 30 HZ1 LYS 30 -35.210 39.024 18.343 237 HZ2 LYS 30 HZ2 LYS 30 -36.681 38.338 18.016 238 HZ3 LYS 30 HZ3 LYS 30 -35.689 38.588 16.792 239 H ALA 31 H ALA 31 -32.523 37.132 12.837 240 HA ALA 31 HA ALA 31 -30.264 35.659 12.571 241 HB1 ALA 31 HB1 ALA 31 -32.465 34.986 11.788 242 HB2 ALA 31 HB2 ALA 31 -31.326 35.226 10.426 243 HB3 ALA 31 HB3 ALA 31 -32.608 36.468 10.749 244 H ARG 32 H ARG 32 -31.652 38.485 10.580 245 HA ARG 32 HA ARG 32 -29.684 38.620 8.827 246 HB2 ARG 32 HB2 ARG 32 -30.589 40.446 7.936 247 HB3 ARG 32 HB3 ARG 32 -31.926 39.578 8.604 248 HG2 ARG 32 HG2 ARG 32 -32.165 41.102 10.416 249 HG3 ARG 32 HG3 ARG 32 -30.686 42.096 9.985 250 HD2 ARG 32 HD2 ARG 32 -31.913 42.769 7.834 251 HD3 ARG 32 HD3 ARG 32 -33.094 41.425 8.270 252 HE ARG 32 HE ARG 32 -34.273 42.734 9.470 253 HH11 ARG 32 HH11 ARG 32 -31.179 44.384 9.627 254 HH12 ARG 32 HH12 ARG 32 -31.946 45.848 10.191 255 HH21 ARG 32 HH21 ARG 32 -35.073 44.464 10.473 256 HH22 ARG 32 HH22 ARG 32 -34.106 45.699 11.187 257 H ASN 33 H ASN 33 -29.974 40.103 12.009 258 HA ASN 33 HA ASN 33 -27.540 41.711 11.931 259 HB2 ASN 33 HB2 ASN 33 -29.480 40.965 14.144 260 HB3 ASN 33 HB3 ASN 33 -28.005 41.884 14.429 261 HD21 ASN 33 HD21 ASN 33 -31.277 42.241 13.652 262 HD22 ASN 33 HD22 ASN 33 -31.104 43.984 13.395 263 H PHE 34 H PHE 34 -28.158 39.056 14.340 264 HA PHE 34 HA PHE 34 -25.204 38.876 14.357 265 HB2 PHE 34 HB2 PHE 34 -25.445 37.968 16.641 266 HB3 PHE 34 HB3 PHE 34 -25.946 39.620 16.374 267 HD1 PHE 34 HD1 PHE 34 -27.537 36.210 16.235 268 HD2 PHE 34 HD2 PHE 34 -27.870 40.305 17.530 269 HE1 PHE 34 HE1 PHE 34 -29.681 35.672 17.321 270 HE2 PHE 34 HE2 PHE 34 -29.999 39.760 18.678 271 HZ PHE 34 HZ PHE 34 -30.882 37.433 18.625 272 H LYS 35 H LYS 35 -27.612 36.866 13.248 273 HA LYS 35 HA LYS 35 -27.835 34.701 12.691 274 HB2 LYS 35 HB2 LYS 35 -24.816 34.563 12.608 275 HB3 LYS 35 HB3 LYS 35 -25.972 33.410 11.936 276 HG2 LYS 35 HG2 LYS 35 -25.515 34.573 10.048 277 HG3 LYS 35 HG3 LYS 35 -26.919 35.460 10.606 278 HD2 LYS 35 HD2 LYS 35 -25.326 37.193 11.611 279 HD3 LYS 35 HD3 LYS 35 -23.976 36.230 11.011 280 HE2 LYS 35 HE2 LYS 35 -24.355 38.016 9.442 281 HE3 LYS 35 HE3 LYS 35 -24.874 36.505 8.688 282 HZ1 LYS 35 HZ1 LYS 35 -26.572 38.694 9.694 283 HZ2 LYS 35 HZ2 LYS 35 -27.181 37.161 9.551 284 HZ3 LYS 35 HZ3 LYS 35 -26.554 37.939 8.238 285 H ILE 36 H ILE 36 -28.020 32.648 13.289 286 HA ILE 36 HA ILE 36 -28.088 32.335 16.213 287 HB ILE 36 HB ILE 36 -29.140 30.673 13.895 288 HG12 ILE 36 HG12 ILE 36 -30.519 32.682 15.668 289 HG13 ILE 36 HG13 ILE 36 -30.131 32.924 13.981 290 HG21 ILE 36 HG21 ILE 36 -30.553 29.518 15.515 291 HG22 ILE 36 HG22 ILE 36 -29.862 30.477 16.853 292 HG23 ILE 36 HG23 ILE 36 -28.876 29.292 15.954 293 HD11 ILE 36 HD11 ILE 36 -32.407 32.420 13.987 294 HD12 ILE 36 HD12 ILE 36 -32.204 31.026 15.076 295 HD13 ILE 36 HD13 ILE 36 -31.603 30.954 13.412 296 H VAL 37 H VAL 37 -26.802 30.868 17.461 297 HA VAL 37 HA VAL 37 -25.005 29.184 15.821 298 HB VAL 37 HB VAL 37 -23.348 29.000 17.531 299 HG11 VAL 37 HG11 VAL 37 -24.538 31.851 17.529 300 HG12 VAL 37 HG12 VAL 37 -23.359 31.221 16.359 301 HG13 VAL 37 HG13 VAL 37 -22.951 31.735 18.106 302 HG21 VAL 37 HG21 VAL 37 -24.443 28.620 19.731 303 HG22 VAL 37 HG22 VAL 37 -25.362 30.173 19.526 304 HG23 VAL 37 HG23 VAL 37 -23.601 30.097 19.861 305 H THR 38 H THR 38 -24.333 27.164 16.835 306 HA THR 38 HA THR 38 -26.828 25.773 17.576 307 HB THR 38 HB THR 38 -24.712 24.384 16.051 308 HG1 THR 38 HG1 THR 38 -26.626 26.103 14.913 309 HG21 THR 38 HG21 THR 38 -26.842 23.266 16.983 310 HG22 THR 38 HG22 THR 38 -26.431 23.011 15.317 311 HG23 THR 38 HG23 THR 38 -27.719 24.182 15.762 312 H GLU 39 H GLU 39 -26.990 24.154 19.021 313 HA GLU 39 HA GLU 39 -24.504 22.891 20.058 314 HB2 GLU 39 HB2 GLU 39 -25.258 24.352 21.775 315 HB3 GLU 39 HB3 GLU 39 -26.935 24.025 21.405 316 HG2 GLU 39 HG2 GLU 39 -26.633 21.698 22.382 317 HG3 GLU 39 HG3 GLU 39 -25.055 22.256 22.980 318 H VAL 40 H VAL 40 -24.588 20.649 19.799 319 HA VAL 40 HA VAL 40 -27.172 19.498 18.836 320 HB VAL 40 HB VAL 40 -24.562 18.897 17.457 321 HG11 VAL 40 HG11 VAL 40 -26.341 17.255 17.078 322 HG12 VAL 40 HG12 VAL 40 -26.139 18.253 15.641 323 HG13 VAL 40 HG13 VAL 40 -27.501 18.555 16.731 324 HG21 VAL 40 HG21 VAL 40 -25.256 20.380 15.632 325 HG22 VAL 40 HG22 VAL 40 -24.922 21.283 17.109 326 HG23 VAL 40 HG23 VAL 40 -26.611 20.946 16.633 327 H GLN 41 H GLN 41 -27.667 17.438 19.270 328 HA GLN 41 HA GLN 41 -25.609 15.569 20.213 329 HB2 GLN 41 HB2 GLN 41 -28.098 16.122 21.871 330 HB3 GLN 41 HB3 GLN 41 -26.904 14.857 22.165 331 HG2 GLN 41 HG2 GLN 41 -25.175 16.571 22.617 332 HG3 GLN 41 HG3 GLN 41 -26.347 17.853 22.295 333 HE21 GLN 41 HE21 GLN 41 -25.388 18.341 24.610 334 HE22 GLN 41 HE22 GLN 41 -26.436 17.704 25.883 335 H GLN 42 H GLN 42 -25.952 13.609 19.406 336 HA GLN 42 HA GLN 42 -28.707 12.607 19.133 337 HB2 GLN 42 HB2 GLN 42 -26.487 12.060 17.109 338 HB3 GLN 42 HB3 GLN 42 -27.952 11.104 17.267 339 HG2 GLN 42 HG2 GLN 42 -28.319 12.521 15.455 340 HG3 GLN 42 HG3 GLN 42 -29.314 13.131 16.770 341 HE21 GLN 42 HE21 GLN 42 -29.400 15.342 16.217 342 HE22 GLN 42 HE22 GLN 42 -27.983 16.301 15.860 343 H ASP 43 H ASP 43 -28.947 10.517 19.763 344 HA ASP 43 HA ASP 43 -26.613 8.820 19.652 345 HB2 ASP 43 HB2 ASP 43 -26.733 9.458 22.113 346 HB3 ASP 43 HB3 ASP 43 -28.311 8.654 22.176 347 H GLY 44 H GLY 44 -27.263 6.843 19.039 348 HA2 GLY 44 HA2 GLY 44 -28.398 5.783 17.282 349 HA3 GLY 44 HA3 GLY 44 -29.528 5.380 18.605 350 H GLN 45 H GLN 45 -31.481 6.186 18.522 351 HA GLN 45 HA GLN 45 -32.451 7.052 15.864 352 HB2 GLN 45 HB2 GLN 45 -33.342 5.028 17.434 353 HB3 GLN 45 HB3 GLN 45 -34.262 6.337 18.162 354 HG2 GLN 45 HG2 GLN 45 -35.693 5.484 16.493 355 HG3 GLN 45 HG3 GLN 45 -35.023 6.918 15.727 356 HE21 GLN 45 HE21 GLN 45 -34.486 3.366 16.028 357 HE22 GLN 45 HE22 GLN 45 -33.600 3.275 14.499 358 H ASP 46 H ASP 46 -31.532 8.671 18.937 359 HA ASP 46 HA ASP 46 -33.801 10.424 18.756 360 HB2 ASP 46 HB2 ASP 46 -32.039 9.662 21.174 361 HB3 ASP 46 HB3 ASP 46 -33.389 10.832 21.283 362 H PHE 47 H PHE 47 -33.651 12.491 18.578 363 HA PHE 47 HA PHE 47 -30.981 13.607 17.993 364 HB2 PHE 47 HB2 PHE 47 -33.525 13.713 16.368 365 HB3 PHE 47 HB3 PHE 47 -32.171 14.799 16.099 366 HD1 PHE 47 HD2 PHE 47 -32.891 11.139 16.348 367 HD2 PHE 47 HD1 PHE 47 -30.639 14.225 14.382 368 HE1 PHE 47 HE2 PHE 47 -31.756 9.415 14.973 369 HE2 PHE 47 HE1 PHE 47 -29.516 12.487 12.989 370 HZ PHE 47 HZ PHE 47 -30.071 10.086 13.296 371 H THR 48 H THR 48 -30.389 15.505 18.821 372 HA THR 48 HA THR 48 -32.464 17.453 19.440 373 HB THR 48 HB THR 48 -29.880 17.171 21.000 374 HG1 THR 48 HG1 THR 48 -31.592 15.587 21.302 375 HG21 THR 48 HG21 THR 48 -32.296 19.026 21.002 376 HG22 THR 48 HG22 THR 48 -30.554 19.532 20.959 377 HG23 THR 48 HG23 THR 48 -31.182 18.728 22.487 378 H TRP 49 H TRP 49 -32.399 19.033 18.374 379 HA TRP 49 HA TRP 49 -29.951 20.192 17.148 380 HB2 TRP 49 HB2 TRP 49 -31.404 19.366 15.465 381 HB3 TRP 49 HB3 TRP 49 -32.843 19.864 16.299 382 HD1 TRP 49 HD1 TRP 49 -32.480 22.907 16.619 383 HE1 TRP 49 HE1 TRP 49 -32.778 24.389 14.587 384 HE3 TRP 49 HE3 TRP 49 -31.746 19.445 12.936 385 HZ2 TRP 49 HZ2 TRP 49 -32.433 24.206 11.708 386 HZ3 TRP 49 HZ3 TRP 49 -31.794 20.124 10.548 387 HH2 TRP 49 HH2 TRP 49 -32.107 22.486 9.924 388 H SER 50 H SER 50 -29.341 22.049 18.275 389 HA SER 50 HA SER 50 -31.455 23.560 19.739 390 HB2 SER 50 HB2 SER 50 -30.426 22.168 21.398 391 HB3 SER 50 HB3 SER 50 -28.811 22.631 20.878 392 HG SER 50 HG SER 50 -29.190 23.828 22.593 393 H GLN 51 H GLN 51 -31.461 25.547 19.539 394 HA GLN 51 HA GLN 51 -29.440 26.976 17.870 395 HB2 GLN 51 HB2 GLN 51 -32.406 27.502 18.387 396 HB3 GLN 51 HB3 GLN 51 -31.372 28.404 17.306 397 HG2 GLN 51 HG2 GLN 51 -32.022 27.042 15.678 398 HG3 GLN 51 HG3 GLN 51 -31.072 25.767 16.380 399 HE21 GLN 51 HE21 GLN 51 -34.017 26.220 15.098 400 HE22 GLN 51 HE22 GLN 51 -34.775 24.852 15.925 401 H HIS 52 H HIS 52 -28.368 28.736 18.843 402 HA HIS 52 HA HIS 52 -29.699 29.900 21.291 403 HB2 HIS 52 HB2 HIS 52 -26.733 29.531 20.884 404 HB3 HIS 52 HB3 HIS 52 -27.469 30.455 22.174 405 HD1 HIS 52 HD1 HIS 52 -26.590 29.078 24.162 406 HD2 HIS 52 HD2 HIS 52 -28.275 26.694 21.113 407 HE1 HIS 52 HE1 HIS 52 -26.554 26.598 24.996 408 H TYR 53 H TYR 53 -30.520 31.802 20.661 409 HA TYR 53 HA TYR 53 -29.456 33.322 18.391 410 HB2 TYR 53 HB2 TYR 53 -31.234 34.252 20.690 411 HB3 TYR 53 HB3 TYR 53 -30.993 35.076 19.167 412 HD1 TYR 53 HD1 TYR 53 -31.681 33.695 17.002 413 HD2 TYR 53 HD2 TYR 53 -33.220 33.067 20.947 414 HE1 TYR 53 HE1 TYR 53 -33.678 32.548 16.052 415 HE2 TYR 53 HE2 TYR 53 -35.289 32.034 19.973 416 HH TYR 53 HH TYR 53 -35.579 30.963 16.776 417 H SER 54 H SER 54 -27.636 34.671 18.536 418 HA SER 54 HA SER 54 -26.093 34.890 20.853 419 HB2 SER 54 HB2 SER 54 -26.058 36.718 18.434 420 HB3 SER 54 HB3 SER 54 -24.713 36.401 19.550 421 HG SER 54 HG SER 54 -24.988 35.077 17.425 422 H GLY 55 H GLY 55 -28.603 37.126 19.704 423 HA2 GLY 55 HA2 GLY 55 -28.411 39.048 21.828 424 HA3 GLY 55 HA3 GLY 55 -29.845 38.697 20.860 425 H GLY 56 H GLY 56 -29.061 35.854 22.163 426 HA2 GLY 56 HA2 GLY 56 -28.888 34.951 24.344 427 HA3 GLY 56 HA3 GLY 56 -29.374 36.450 24.902 428 H HIS 57 H HIS 57 -30.859 33.870 22.888 429 HA HIS 57 HA HIS 57 -32.307 32.939 25.234 430 HB2 HIS 57 HB2 HIS 57 -33.914 34.618 24.281 431 HB3 HIS 57 HB3 HIS 57 -33.946 33.700 22.779 432 HD1 HIS 57 HD1 HIS 57 -35.742 31.778 22.705 433 HD2 HIS 57 HD2 HIS 57 -34.744 33.166 26.567 434 HE1 HIS 57 HE1 HIS 57 -37.324 30.560 24.340 435 H THR 58 H THR 58 -32.526 30.528 25.141 436 HA THR 58 HA THR 58 -31.362 29.318 22.672 437 HB THR 58 HB THR 58 -31.743 28.338 25.500 438 HG1 THR 58 HG1 THR 58 -29.477 28.597 25.535 439 HG21 THR 58 HG21 THR 58 -30.300 27.320 22.912 440 HG22 THR 58 HG22 THR 58 -31.723 26.595 23.554 441 HG23 THR 58 HG23 THR 58 -30.181 26.494 24.570 442 H MET 59 H MET 59 -32.542 27.778 21.636 443 HA MET 59 HA MET 59 -34.907 26.633 22.902 444 HB2 MET 59 HB2 MET 59 -36.329 26.950 20.876 445 HB3 MET 59 HB3 MET 59 -36.030 28.415 21.811 446 HG2 MET 59 HG2 MET 59 -34.441 29.251 20.232 447 HG3 MET 59 HG3 MET 59 -34.350 27.701 19.391 448 HE1 MET 59 HE1 MET 59 -37.274 27.446 17.164 449 HE2 MET 59 HE2 MET 59 -37.125 26.637 18.738 450 HE3 MET 59 HE3 MET 59 -35.702 26.850 17.691 451 H THR 60 H THR 60 -35.648 24.857 21.940 452 HA THR 60 HA THR 60 -33.660 23.142 20.368 453 HB THR 60 HB THR 60 -33.786 21.411 21.757 454 HG1 THR 60 HG1 THR 60 -35.897 22.961 23.143 455 HG21 THR 60 HG21 THR 60 -32.960 22.255 23.884 456 HG22 THR 60 HG22 THR 60 -33.575 23.977 23.345 457 HG23 THR 60 HG23 THR 60 -32.274 23.249 22.517 458 H ASN 61 H ASN 61 -34.139 21.363 19.255 459 HA ASN 61 HA ASN 61 -36.964 20.858 18.821 460 HB2 ASN 61 HB2 ASN 61 -34.688 21.056 16.821 461 HB3 ASN 61 HB3 ASN 61 -36.319 20.390 16.398 462 HD21 ASN 61 HD21 ASN 61 -37.075 23.094 18.362 463 HD22 ASN 61 HD22 ASN 61 -36.982 24.330 17.078 464 H LYS 62 H LYS 62 -37.258 18.721 19.377 465 HA LYS 62 HA LYS 62 -34.970 16.982 19.851 466 HB2 LYS 62 HB2 LYS 62 -37.251 17.687 21.911 467 HB3 LYS 62 HB3 LYS 62 -36.041 16.471 22.124 468 HG2 LYS 62 HG2 LYS 62 -34.317 18.502 21.713 469 HG3 LYS 62 HG3 LYS 62 -35.605 19.459 22.344 470 HD2 LYS 62 HD2 LYS 62 -35.946 18.217 24.333 471 HD3 LYS 62 HD3 LYS 62 -34.631 17.054 23.908 472 HE2 LYS 62 HE2 LYS 62 -33.187 18.611 25.021 473 HE3 LYS 62 HE3 LYS 62 -33.403 19.579 23.603 474 HZ1 LYS 62 HZ1 LYS 62 -35.128 19.867 25.974 475 HZ2 LYS 62 HZ2 LYS 62 -35.324 20.667 24.544 476 HZ3 LYS 62 HZ3 LYS 62 -33.942 20.778 25.596 477 H PHE 63 H PHE 63 -35.372 15.171 18.760 478 HA PHE 63 HA PHE 63 -38.163 14.157 18.603 479 HB2 PHE 63 HB2 PHE 63 -38.314 14.304 16.217 480 HB3 PHE 63 HB3 PHE 63 -37.919 15.901 16.803 481 HD1 PHE 63 HD1 PHE 63 -35.594 16.832 16.544 482 HD2 PHE 63 HD2 PHE 63 -36.855 13.152 14.676 483 HE1 PHE 63 HE1 PHE 63 -33.681 16.966 14.979 484 HE2 PHE 63 HE2 PHE 63 -34.916 13.271 13.137 485 HZ PHE 63 HZ PHE 63 -33.342 15.189 13.265 486 H THR 64 H THR 64 -38.130 12.226 16.898 487 HA THR 64 HA THR 64 -35.759 10.573 17.322 488 HB THR 64 HB THR 64 -38.584 9.669 17.755 489 HG1 THR 64 HG1 THR 64 -36.587 9.500 19.733 490 HG21 THR 64 HG21 THR 64 -35.928 8.164 18.363 491 HG22 THR 64 HG22 THR 64 -36.928 7.972 16.792 492 HG23 THR 64 HG23 THR 64 -37.521 7.391 18.366 493 H VAL 65 H VAL 65 -35.175 9.834 15.300 494 HA VAL 65 HA VAL 65 -36.605 10.729 12.974 495 HB VAL 65 HB VAL 65 -34.088 10.672 13.301 496 HG11 VAL 65 HG11 VAL 65 -32.940 8.667 12.675 497 HG12 VAL 65 HG12 VAL 65 -34.414 7.624 12.623 498 HG13 VAL 65 HG13 VAL 65 -33.893 8.350 14.128 499 HG21 VAL 65 HG21 VAL 65 -33.774 10.515 10.982 500 HG22 VAL 65 HG22 VAL 65 -35.422 11.041 11.015 501 HG23 VAL 65 HG23 VAL 65 -35.059 9.228 10.749 502 H GLY 66 H GLY 66 -37.707 9.673 11.346 503 HA2 GLY 66 HA2 GLY 66 -38.877 7.959 10.378 504 HA3 GLY 66 HA3 GLY 66 -38.277 6.907 11.757 505 H LYS 67 H LYS 67 -39.406 9.486 13.336 506 HA LYS 67 HA LYS 67 -42.201 8.452 13.611 507 HB2 LYS 67 HB2 LYS 67 -40.512 7.919 15.417 508 HB3 LYS 67 HB3 LYS 67 -40.426 9.649 15.759 509 HG2 LYS 67 HG2 LYS 67 -42.778 9.696 16.420 510 HG3 LYS 67 HG3 LYS 67 -42.952 7.977 15.980 511 HD2 LYS 67 HD2 LYS 67 -41.168 7.388 17.613 512 HD3 LYS 67 HD3 LYS 67 -41.017 9.098 18.066 513 HE2 LYS 67 HE2 LYS 67 -43.356 9.097 18.863 514 HE3 LYS 67 HE3 LYS 67 -43.531 7.401 18.381 515 HZ1 LYS 67 HZ1 LYS 67 -42.985 7.616 20.754 516 HZ2 LYS 67 HZ2 LYS 67 -41.580 8.394 20.393 517 HZ3 LYS 67 HZ3 LYS 67 -41.774 6.831 19.961 518 H GLU 68 H GLU 68 -43.865 9.854 13.612 519 HA GLU 68 HA GLU 68 -43.417 12.571 12.756 520 HB2 GLU 68 HB2 GLU 68 -45.283 10.986 12.027 521 HB3 GLU 68 HB3 GLU 68 -46.074 11.340 13.566 522 HG2 GLU 68 HG2 GLU 68 -46.203 13.738 12.952 523 HG3 GLU 68 HG3 GLU 68 -45.263 13.433 11.498 524 H SER 69 H SER 69 -44.511 14.400 13.727 525 HA SER 69 HA SER 69 -45.392 15.848 15.338 526 HB2 SER 69 HB2 SER 69 -46.472 13.185 16.469 527 HB3 SER 69 HB3 SER 69 -46.893 14.857 17.110 528 HG SER 69 HG SER 69 -48.345 14.277 15.823 529 H ASN 70 H ASN 70 -42.554 14.792 15.838 530 HA ASN 70 HA ASN 70 -42.409 15.964 18.599 531 HB2 ASN 70 HB2 ASN 70 -40.664 13.834 17.311 532 HB3 ASN 70 HB3 ASN 70 -40.273 14.698 18.807 533 HD21 ASN 70 HD21 ASN 70 -42.833 12.523 17.412 534 HD22 ASN 70 HD22 ASN 70 -43.283 12.006 19.021 535 H ILE 71 H ILE 71 -42.369 17.014 15.716 536 HA ILE 71 HA ILE 71 -39.638 18.077 15.424 537 HB ILE 71 HB ILE 71 -42.029 17.758 13.563 538 HG12 ILE 71 HG12 ILE 71 -40.394 16.445 12.191 539 HG13 ILE 71 HG13 ILE 71 -39.235 16.529 13.518 540 HG21 ILE 71 HG21 ILE 71 -39.397 19.165 13.080 541 HG22 ILE 71 HG22 ILE 71 -40.975 19.888 13.070 542 HG23 ILE 71 HG23 ILE 71 -40.578 18.733 11.802 543 HD11 ILE 71 HD11 ILE 71 -42.004 15.278 13.777 544 HD12 ILE 71 HD12 ILE 71 -40.609 15.085 14.877 545 HD13 ILE 71 HD13 ILE 71 -40.574 14.372 13.275 546 H GLN 72 H GLN 72 -39.184 20.151 15.881 547 HA GLN 72 HA GLN 72 -41.404 22.117 15.782 548 HB2 GLN 72 HB2 GLN 72 -39.134 22.011 17.798 549 HB3 GLN 72 HB3 GLN 72 -40.118 23.450 17.481 550 HG2 GLN 72 HG2 GLN 72 -42.150 21.857 17.939 551 HG3 GLN 72 HG3 GLN 72 -40.959 20.824 18.728 552 HE21 GLN 72 HE21 GLN 72 -43.264 22.934 19.526 553 HE22 GLN 72 HE22 GLN 72 -42.434 23.850 20.793 554 H THR 73 H THR 73 -40.733 24.278 15.159 555 HA THR 73 HA THR 73 -38.752 24.133 13.001 556 HB THR 73 HB THR 73 -39.768 26.149 12.239 557 HG1 THR 73 HG1 THR 73 -40.894 27.335 13.337 558 HG21 THR 73 HG21 THR 73 -42.096 25.450 11.840 559 HG22 THR 73 HG22 THR 73 -41.848 24.068 12.931 560 HG23 THR 73 HG23 THR 73 -40.881 24.229 11.455 561 H MET 74 H MET 74 -37.775 26.447 12.481 562 HA MET 74 HA MET 74 -35.726 26.926 14.463 563 HB2 MET 74 HB2 MET 74 -35.239 27.047 12.156 564 HB3 MET 74 HB3 MET 74 -36.444 28.316 11.871 565 HG2 MET 74 HG2 MET 74 -34.225 29.232 11.772 566 HG3 MET 74 HG3 MET 74 -35.053 29.879 13.180 567 HE1 MET 74 HE1 MET 74 -33.290 26.126 13.147 568 HE2 MET 74 HE2 MET 74 -31.631 26.752 13.212 569 HE3 MET 74 HE3 MET 74 -32.685 27.151 11.839 570 H GLY 75 H GLY 75 -38.735 28.770 13.622 571 HA2 GLY 75 HA2 GLY 75 -38.018 30.753 15.586 572 HA3 GLY 75 HA3 GLY 75 -39.589 30.551 14.726 573 H GLY 76 H GLY 76 -39.141 27.517 15.729 574 HA2 GLY 76 HA2 GLY 76 -39.447 26.459 17.766 575 HA3 GLY 76 HA3 GLY 76 -40.055 27.938 18.492 576 H LYS 77 H LYS 77 -41.638 26.775 15.587 577 HA LYS 77 HA LYS 77 -44.147 26.244 17.087 578 HB2 LYS 77 HB2 LYS 77 -44.151 27.935 15.387 579 HB3 LYS 77 HB3 LYS 77 -43.382 26.869 14.218 580 HG2 LYS 77 HG2 LYS 77 -45.380 25.610 13.874 581 HG3 LYS 77 HG3 LYS 77 -46.182 26.372 15.258 582 HD2 LYS 77 HD2 LYS 77 -46.905 27.292 13.012 583 HD3 LYS 77 HD3 LYS 77 -46.332 28.476 14.176 584 HE2 LYS 77 HE2 LYS 77 -45.492 29.107 12.012 585 HE3 LYS 77 HE3 LYS 77 -44.155 28.633 13.040 586 HZ1 LYS 77 HZ1 LYS 77 -43.748 27.702 11.006 587 HZ2 LYS 77 HZ2 LYS 77 -45.248 27.064 10.782 588 HZ3 LYS 77 HZ3 LYS 77 -44.180 26.453 11.906 589 H THR 78 H THR 78 -45.297 24.152 17.007 590 HA THR 78 HA THR 78 -43.683 21.924 16.272 591 HB THR 78 HB THR 78 -46.424 21.978 17.182 592 HG1 THR 78 HG1 THR 78 -45.560 22.228 19.281 593 HG21 THR 78 HG21 THR 78 -44.179 19.881 17.161 594 HG22 THR 78 HG22 THR 78 -45.793 19.710 16.533 595 HG23 THR 78 HG23 THR 78 -45.597 19.787 18.322 596 H PHE 79 H PHE 79 -43.910 20.927 14.331 597 HA PHE 79 HA PHE 79 -46.553 20.729 13.166 598 HB2 PHE 79 HB2 PHE 79 -45.936 20.951 10.844 599 HB3 PHE 79 HB3 PHE 79 -45.859 22.435 11.756 600 HD1 PHE 79 HD1 PHE 79 -42.769 20.773 12.472 601 HD2 PHE 79 HD2 PHE 79 -44.892 22.844 9.337 602 HE1 PHE 79 HE1 PHE 79 -40.629 21.241 11.308 603 HE2 PHE 79 HE2 PHE 79 -42.747 23.285 8.180 604 HZ PHE 79 HZ PHE 79 -40.617 22.472 9.157 605 H LYS 80 H LYS 80 -46.452 19.017 11.343 606 HA LYS 80 HA LYS 80 -45.192 16.720 12.711 607 HB2 LYS 80 HB2 LYS 80 -47.431 15.551 12.417 608 HB3 LYS 80 HB3 LYS 80 -47.518 16.927 13.522 609 HG2 LYS 80 HG2 LYS 80 -48.123 18.258 11.134 610 HG3 LYS 80 HG3 LYS 80 -48.453 16.752 10.608 611 HD2 LYS 80 HD2 LYS 80 -50.106 16.137 12.381 612 HD3 LYS 80 HD3 LYS 80 -49.953 17.913 12.943 613 HE2 LYS 80 HE2 LYS 80 -50.547 18.591 10.517 614 HE3 LYS 80 HE3 LYS 80 -51.012 16.783 10.352 615 HZ1 LYS 80 HZ1 LYS 80 -52.125 18.451 12.448 616 HZ2 LYS 80 HZ2 LYS 80 -52.486 16.882 12.089 617 HZ3 LYS 80 HZ3 LYS 80 -52.916 18.078 10.960 618 H ALA 81 H ALA 81 -43.651 16.120 11.219 619 HA ALA 81 HA ALA 81 -44.645 14.764 8.841 620 HB1 ALA 81 HB1 ALA 81 -43.796 16.694 7.915 621 HB2 ALA 81 HB2 ALA 81 -42.487 15.487 7.710 622 HB3 ALA 81 HB3 ALA 81 -42.356 16.675 9.070 623 H THR 82 H THR 82 -42.911 13.208 8.109 624 HA THR 82 HA THR 82 -41.654 11.815 10.491 625 HB THR 82 HB THR 82 -42.187 11.023 7.622 626 HG1 THR 82 HG1 THR 82 -44.172 10.884 8.695 627 HG21 THR 82 HG21 THR 82 -41.325 9.628 10.196 628 HG22 THR 82 HG22 THR 82 -40.064 9.962 8.857 629 HG23 THR 82 HG23 THR 82 -41.355 8.718 8.662 630 H VAL 83 H VAL 83 -39.702 12.701 10.767 631 HA VAL 83 HA VAL 83 -37.932 13.571 8.650 632 HB VAL 83 HB VAL 83 -37.075 12.643 11.408 633 HG11 VAL 83 HG11 VAL 83 -35.282 14.370 10.937 634 HG12 VAL 83 HG12 VAL 83 -35.878 14.444 9.260 635 HG13 VAL 83 HG13 VAL 83 -35.214 12.948 9.891 636 HG21 VAL 83 HG21 VAL 83 -37.247 15.012 12.098 637 HG22 VAL 83 HG22 VAL 83 -38.805 14.261 11.804 638 HG23 VAL 83 HG23 VAL 83 -38.135 15.345 10.578 639 H GLN 84 H GLN 84 -36.548 12.347 7.419 640 HA GLN 84 HA GLN 84 -35.970 9.567 8.341 641 HB2 GLN 84 HB2 GLN 84 -36.178 8.769 6.001 642 HB3 GLN 84 HB3 GLN 84 -37.661 9.194 6.826 643 HG2 GLN 84 HG2 GLN 84 -37.115 11.547 5.456 644 HG3 GLN 84 HG3 GLN 84 -36.491 10.330 4.349 645 HE21 GLN 84 HE21 GLN 84 -39.455 11.353 6.235 646 HE22 GLN 84 HE22 GLN 84 -40.499 10.328 5.263 647 H MET 85 H MET 85 -34.014 8.624 7.382 648 HA MET 85 HA MET 85 -31.938 10.746 7.062 649 HB2 MET 85 HB2 MET 85 -31.533 7.911 8.080 650 HB3 MET 85 HB3 MET 85 -30.289 9.133 7.795 651 HG2 MET 85 HG2 MET 85 -31.646 10.582 9.477 652 HG3 MET 85 HG3 MET 85 -32.418 9.053 9.921 653 HE1 MET 85 HE1 MET 85 -28.893 10.630 9.170 654 HE2 MET 85 HE2 MET 85 -28.087 10.396 10.739 655 HE3 MET 85 HE3 MET 85 -29.518 11.445 10.618 656 H GLU 86 H GLU 86 -31.181 10.870 4.981 657 HA GLU 86 HA GLU 86 -30.991 8.274 3.445 658 HB2 GLU 86 HB2 GLU 86 -31.525 11.125 2.424 659 HB3 GLU 86 HB3 GLU 86 -30.946 9.682 1.404 660 HG2 GLU 86 HG2 GLU 86 -32.647 8.333 2.016 661 HG3 GLU 86 HG3 GLU 86 -33.657 9.690 2.899 662 H GLY 87 H GLY 87 -29.033 7.602 3.998 663 HA2 GLY 87 HA2 GLY 87 -26.741 7.456 3.444 664 HA3 GLY 87 HA3 GLY 87 -26.844 9.092 2.749 665 H GLY 88 H GLY 88 -28.191 8.907 5.756 666 HA2 GLY 88 HA2 GLY 88 -27.313 9.479 7.913 667 HA3 GLY 88 HA3 GLY 88 -25.783 9.948 7.156 668 H LYS 89 H LYS 89 -28.726 11.167 5.513 669 HA LYS 89 HA LYS 89 -28.257 13.828 6.672 670 HB2 LYS 89 HB2 LYS 89 -29.382 12.895 3.929 671 HB3 LYS 89 HB3 LYS 89 -29.091 14.592 4.217 672 HG2 LYS 89 HG2 LYS 89 -26.646 14.249 3.922 673 HG3 LYS 89 HG3 LYS 89 -26.799 12.448 3.840 674 HD2 LYS 89 HD2 LYS 89 -26.449 13.489 1.748 675 HD3 LYS 89 HD3 LYS 89 -28.133 12.754 1.752 676 HE2 LYS 89 HE2 LYS 89 -29.274 14.684 1.679 677 HE3 LYS 89 HE3 LYS 89 -27.974 15.727 2.413 678 HZ1 LYS 89 HZ1 LYS 89 -26.898 16.196 0.587 679 HZ2 LYS 89 HZ2 LYS 89 -28.418 15.859 -0.160 680 HZ3 LYS 89 HZ3 LYS 89 -27.199 14.713 -0.063 681 H LEU 90 H LEU 90 -29.957 14.890 7.238 682 HA LEU 90 HA LEU 90 -32.287 13.226 7.755 683 HB2 LEU 90 HB2 LEU 90 -31.436 15.778 9.082 684 HB3 LEU 90 HB3 LEU 90 -32.988 15.099 9.382 685 HG LEU 90 HG LEU 90 -30.433 13.364 9.787 686 HD11 LEU 90 HD11 LEU 90 -29.969 15.545 10.590 687 HD12 LEU 90 HD12 LEU 90 -31.423 15.481 11.731 688 HD13 LEU 90 HD13 LEU 90 -30.036 14.344 11.995 689 HD21 LEU 90 HD21 LEU 90 -33.150 13.552 11.176 690 HD22 LEU 90 HD22 LEU 90 -31.877 12.365 11.574 691 HD23 LEU 90 HD23 LEU 90 -32.813 12.350 9.991 692 H VAL 91 H VAL 91 -34.227 13.675 6.999 693 HA VAL 91 HA VAL 91 -34.744 16.110 5.472 694 HB VAL 91 HB VAL 91 -34.050 14.916 3.632 695 HG11 VAL 91 HG11 VAL 91 -34.737 12.420 3.314 696 HG12 VAL 91 HG12 VAL 91 -35.223 12.485 4.997 697 HG13 VAL 91 HG13 VAL 91 -33.442 12.735 4.567 698 HG21 VAL 91 HG21 VAL 91 -36.294 15.572 3.098 699 HG22 VAL 91 HG22 VAL 91 -37.078 14.140 3.954 700 HG23 VAL 91 HG23 VAL 91 -36.214 13.954 2.434 701 H VAL 92 H VAL 92 -36.718 16.976 5.490 702 HA VAL 92 HA VAL 92 -38.984 15.020 5.964 703 HB VAL 92 HB VAL 92 -40.451 17.088 6.268 704 HG11 VAL 92 HG11 VAL 92 -38.362 16.445 8.297 705 HG12 VAL 92 HG12 VAL 92 -39.824 15.489 7.998 706 HG13 VAL 92 HG13 VAL 92 -39.998 17.129 8.616 707 HG21 VAL 92 HG21 VAL 92 -38.850 18.824 5.478 708 HG22 VAL 92 HG22 VAL 92 -37.840 18.473 6.900 709 HG23 VAL 92 HG23 VAL 92 -39.456 19.118 7.121 710 H ASN 93 H ASN 93 -40.897 15.369 4.876 711 HA ASN 93 HA ASN 93 -40.971 17.064 2.510 712 HB2 ASN 93 HB2 ASN 93 -42.288 15.168 1.331 713 HB3 ASN 93 HB3 ASN 93 -40.529 15.082 1.362 714 HD21 ASN 93 HD21 ASN 93 -39.791 12.991 1.739 715 HD22 ASN 93 HD22 ASN 93 -40.643 11.874 2.785 716 H PHE 94 H PHE 94 -42.938 17.873 2.076 717 HA PHE 94 HA PHE 94 -45.355 17.411 3.648 718 HB2 PHE 94 HB2 PHE 94 -43.834 20.043 3.584 719 HB3 PHE 94 HB3 PHE 94 -45.502 19.940 4.014 720 HD1 PHE 94 HD2 PHE 94 -46.266 18.988 6.144 721 HD2 PHE 94 HD1 PHE 94 -42.091 19.447 5.196 722 HE1 PHE 94 HE2 PHE 94 -45.730 19.047 8.563 723 HE2 PHE 94 HE1 PHE 94 -41.564 19.552 7.636 724 HZ PHE 94 HZ PHE 94 -43.374 19.378 9.309 725 HA PRO 95 HA PRO 95 -47.252 18.566 -0.186 726 HB2 PRO 95 HB2 PRO 95 -48.854 20.685 1.269 727 HB3 PRO 95 HB3 PRO 95 -49.407 19.500 0.039 728 HG2 PRO 95 HG2 PRO 95 -49.819 18.959 2.644 729 HG3 PRO 95 HG3 PRO 95 -49.143 17.670 1.592 730 HD2 PRO 95 HD2 PRO 95 -47.671 19.519 3.488 731 HD3 PRO 95 HD3 PRO 95 -47.493 17.750 3.274 732 H ASN 96 H ASN 96 -45.772 21.314 1.453 733 HA ASN 96 HA ASN 96 -45.020 22.272 -1.265 734 HB2 ASN 96 HB2 ASN 96 -45.181 24.578 -0.611 735 HB3 ASN 96 HB3 ASN 96 -46.747 23.817 -0.353 736 HD21 ASN 96 HD21 ASN 96 -45.944 26.275 0.870 737 HD22 ASN 96 HD22 ASN 96 -45.858 25.953 2.598 738 H TYR 97 H TYR 97 -44.099 21.668 2.057 739 HA TYR 97 HA TYR 97 -41.398 22.710 1.547 740 HB2 TYR 97 HB2 TYR 97 -42.506 23.588 3.467 741 HB3 TYR 97 HB3 TYR 97 -42.720 21.981 4.144 742 HD1 TYR 97 HD1 TYR 97 -39.947 23.960 2.646 743 HD2 TYR 97 HD2 TYR 97 -41.209 21.535 5.971 744 HE1 TYR 97 HE1 TYR 97 -37.760 24.309 3.704 745 HE2 TYR 97 HE2 TYR 97 -38.973 21.916 7.053 746 HH TYR 97 HH TYR 97 -36.389 23.780 5.417 747 H HIS 98 H HIS 98 -39.499 21.682 1.570 748 HA HIS 98 HA HIS 98 -39.192 18.953 2.587 749 HB2 HIS 98 HB2 HIS 98 -39.663 18.310 0.334 750 HB3 HIS 98 HB3 HIS 98 -38.847 19.719 -0.330 751 HD1 HIS 98 HD1 HIS 98 -37.667 16.621 1.729 752 HD2 HIS 98 HD2 HIS 98 -36.437 19.359 -1.237 753 HE1 HIS 98 HE1 HIS 98 -35.278 15.934 1.039 754 H GLN 99 H GLN 99 -36.907 18.521 3.160 755 HA GLN 99 HA GLN 99 -34.917 20.361 2.202 756 HB2 GLN 99 HB2 GLN 99 -34.178 21.324 4.199 757 HB3 GLN 99 HB3 GLN 99 -35.834 21.750 3.966 758 HG2 GLN 99 HG2 GLN 99 -35.237 21.412 6.282 759 HG3 GLN 99 HG3 GLN 99 -36.594 20.411 5.762 760 HE21 GLN 99 HE21 GLN 99 -32.987 20.254 6.257 761 HE22 GLN 99 HE22 GLN 99 -33.042 18.562 6.759 762 H THR 100 H THR 100 -32.729 19.984 3.623 763 HA THR 100 HA THR 100 -32.312 17.125 4.085 764 HB THR 100 HB THR 100 -30.387 17.779 2.052 765 HG1 THR 100 HG1 THR 100 -31.935 19.264 1.294 766 HG21 THR 100 HG21 THR 100 -31.334 15.852 0.925 767 HG22 THR 100 HG22 THR 100 -32.799 15.947 1.914 768 HG23 THR 100 HG23 THR 100 -31.247 15.529 2.675 769 H SER 101 H SER 101 -31.250 17.398 5.932 770 HA SER 101 HA SER 101 -29.191 19.333 6.272 771 HB2 SER 101 HB2 SER 101 -30.027 16.946 7.909 772 HB3 SER 101 HB3 SER 101 -29.000 18.156 8.632 773 HG SER 101 HG SER 101 -30.888 19.599 7.805 774 H GLU 102 H GLU 102 -26.854 18.984 5.723 775 HA GLU 102 HA GLU 102 -25.886 16.190 6.214 776 HB2 GLU 102 HB2 GLU 102 -25.020 15.898 4.096 777 HB3 GLU 102 HB3 GLU 102 -26.710 16.395 3.921 778 HG2 GLU 102 HG2 GLU 102 -25.958 18.677 3.296 779 HG3 GLU 102 HG3 GLU 102 -24.278 18.111 3.341 780 H ILE 103 H ILE 103 -23.597 15.788 6.093 781 HA ILE 103 HA ILE 103 -21.988 18.060 7.204 782 HB ILE 103 HB ILE 103 -21.111 15.165 6.975 783 HG12 ILE 103 HG12 ILE 103 -22.727 16.344 9.248 784 HG13 ILE 103 HG13 ILE 103 -23.114 14.947 8.254 785 HG21 ILE 103 HG21 ILE 103 -19.471 15.776 8.659 786 HG22 ILE 103 HG22 ILE 103 -20.220 17.369 8.873 787 HG23 ILE 103 HG23 ILE 103 -19.393 16.950 7.362 788 HD11 ILE 103 HD11 ILE 103 -22.421 14.167 10.396 789 HD12 ILE 103 HD12 ILE 103 -20.948 15.142 10.372 790 HD13 ILE 103 HD13 ILE 103 -21.124 13.764 9.250 791 H VAL 104 H VAL 104 -20.427 19.106 5.830 792 HA VAL 104 HA VAL 104 -19.161 17.160 4.013 793 HB VAL 104 HB VAL 104 -19.470 20.208 3.687 794 HG11 VAL 104 HG11 VAL 104 -17.279 19.206 2.653 795 HG12 VAL 104 HG12 VAL 104 -18.328 19.606 1.238 796 HG13 VAL 104 HG13 VAL 104 -18.182 17.986 1.951 797 HG21 VAL 104 HG21 VAL 104 -21.709 19.270 3.053 798 HG22 VAL 104 HG22 VAL 104 -20.888 18.140 1.889 799 HG23 VAL 104 HG23 VAL 104 -20.871 19.886 1.589 800 H GLY 105 H GLY 105 -17.408 16.469 5.062 801 HA2 GLY 105 HA2 GLY 105 -15.365 16.643 5.776 802 HA3 GLY 105 HA3 GLY 105 -15.289 18.356 5.212 803 H ASP 106 H ASP 106 -15.242 19.977 6.724 804 HA ASP 106 HA ASP 106 -15.462 19.081 9.600 805 HB2 ASP 106 HB2 ASP 106 -13.271 19.910 9.022 806 HB3 ASP 106 HB3 ASP 106 -13.968 21.434 8.475 807 H LYS 107 H LYS 107 -17.356 20.561 7.251 808 HA LYS 107 HA LYS 107 -18.778 22.265 9.145 809 HB2 LYS 107 HB2 LYS 107 -18.579 22.788 6.133 810 HB3 LYS 107 HB3 LYS 107 -18.938 23.861 7.432 811 HG2 LYS 107 HG2 LYS 107 -16.144 22.753 6.811 812 HG3 LYS 107 HG3 LYS 107 -16.775 24.253 6.248 813 HD2 LYS 107 HD2 LYS 107 -16.838 25.028 8.545 814 HD3 LYS 107 HD3 LYS 107 -16.380 23.537 9.432 815 HE2 LYS 107 HE2 LYS 107 -14.337 23.527 7.861 816 HE3 LYS 107 HE3 LYS 107 -14.637 25.318 7.712 817 HZ1 LYS 107 HZ1 LYS 107 -13.114 25.089 9.483 818 HZ2 LYS 107 HZ2 LYS 107 -13.905 23.776 10.061 819 HZ3 LYS 107 HZ3 LYS 107 -14.413 25.408 10.304 820 H LEU 108 H LEU 108 -20.948 22.728 8.674 821 HA LEU 108 HA LEU 108 -22.354 20.390 7.581 822 HB2 LEU 108 HB2 LEU 108 -22.722 22.283 10.092 823 HB3 LEU 108 HB3 LEU 108 -24.176 21.725 9.444 824 HG LEU 108 HG LEU 108 -23.331 20.407 11.201 825 HD11 LEU 108 HD11 LEU 108 -24.626 19.027 9.619 826 HD12 LEU 108 HD12 LEU 108 -23.295 18.183 10.539 827 HD13 LEU 108 HD13 LEU 108 -23.231 18.503 8.723 828 HD21 LEU 108 HD21 LEU 108 -21.156 19.070 11.277 829 HD22 LEU 108 HD22 LEU 108 -20.698 20.716 10.617 830 HD23 LEU 108 HD23 LEU 108 -20.966 19.379 9.507 831 H VAL 109 H VAL 109 -23.630 20.566 6.000 832 HA VAL 109 HA VAL 109 -24.391 23.298 5.120 833 HB VAL 109 HB VAL 109 -24.093 20.901 3.302 834 HG11 VAL 109 HG11 VAL 109 -25.509 22.708 2.426 835 HG12 VAL 109 HG12 VAL 109 -23.984 22.660 1.550 836 HG13 VAL 109 HG13 VAL 109 -24.253 23.909 2.788 837 HG21 VAL 109 HG21 VAL 109 -21.947 21.959 2.556 838 HG22 VAL 109 HG22 VAL 109 -21.873 21.288 4.190 839 HG23 VAL 109 HG23 VAL 109 -22.037 23.032 3.969 840 H GLU 110 H GLU 110 -26.568 23.763 4.893 841 HA GLU 110 HA GLU 110 -28.391 21.541 4.937 842 HB2 GLU 110 HB2 GLU 110 -28.797 23.080 6.815 843 HB3 GLU 110 HB3 GLU 110 -28.743 24.476 5.769 844 HG2 GLU 110 HG2 GLU 110 -31.045 23.914 6.499 845 HG3 GLU 110 HG3 GLU 110 -30.903 23.633 4.681 846 H VAL 111 H VAL 111 -29.759 21.291 3.260 847 HA VAL 111 HA VAL 111 -30.004 23.536 1.364 848 HB VAL 111 HB VAL 111 -28.295 22.088 0.405 849 HG11 VAL 111 HG11 VAL 111 -29.210 19.858 1.117 850 HG12 VAL 111 HG12 VAL 111 -28.792 19.968 -0.594 851 HG13 VAL 111 HG13 VAL 111 -30.496 20.047 -0.105 852 HG21 VAL 111 HG21 VAL 111 -29.745 23.563 -0.957 853 HG22 VAL 111 HG22 VAL 111 -30.876 22.218 -1.213 854 HG23 VAL 111 HG23 VAL 111 -29.213 22.130 -1.839 855 H SER 112 H SER 112 -31.974 24.126 1.082 856 HA SER 112 HA SER 112 -34.121 22.380 2.228 857 HB2 SER 112 HB2 SER 112 -32.661 24.273 3.513 858 HB3 SER 112 HB3 SER 112 -33.883 25.315 2.827 859 HG SER 112 HG SER 112 -33.996 23.292 4.734 860 H THR 113 H THR 113 -36.357 22.694 1.346 861 HA THR 113 HA THR 113 -36.603 24.633 -0.821 862 HB THR 113 HB THR 113 -37.514 21.734 -1.083 863 HG1 THR 113 HG1 THR 113 -35.264 22.018 -1.016 864 HG21 THR 113 HG21 THR 113 -38.848 23.298 -2.440 865 HG22 THR 113 HG22 THR 113 -37.602 22.270 -3.381 866 HG23 THR 113 HG23 THR 113 -37.424 24.017 -3.178 867 H ILE 114 H ILE 114 -38.372 26.007 -0.618 868 HA ILE 114 HA ILE 114 -40.913 24.724 0.359 869 HB ILE 114 HB ILE 114 -40.462 27.701 0.449 870 HG12 ILE 114 HG12 ILE 114 -40.315 26.138 3.018 871 HG13 ILE 114 HG13 ILE 114 -38.854 26.449 2.091 872 HG21 ILE 114 HG21 ILE 114 -42.473 25.858 1.820 873 HG22 ILE 114 HG22 ILE 114 -42.791 26.903 0.416 874 HG23 ILE 114 HG23 ILE 114 -42.421 27.621 1.977 875 HD11 ILE 114 HD11 ILE 114 -39.078 28.196 3.720 876 HD12 ILE 114 HD12 ILE 114 -40.738 28.546 3.224 877 HD13 ILE 114 HD13 ILE 114 -39.386 28.908 2.129 878 H GLY 115 H GLY 115 -42.329 24.484 -1.307 879 HA2 GLY 115 HA2 GLY 115 -43.548 24.974 -3.109 880 HA3 GLY 115 HA3 GLY 115 -42.911 26.697 -2.995 881 H GLY 116 H GLY 116 -40.541 24.490 -3.317 882 HA2 GLY 116 HA2 GLY 116 -39.262 23.831 -5.216 883 HA3 GLY 116 HA3 GLY 116 -40.234 24.887 -6.246 884 H VAL 117 H VAL 117 -39.649 26.876 -3.620 885 HA VAL 117 HA VAL 117 -37.216 27.917 -4.882 886 HB VAL 117 HB VAL 117 -39.194 29.442 -4.341 887 HG11 VAL 117 HG11 VAL 117 -38.978 30.723 -2.271 888 HG12 VAL 117 HG12 VAL 117 -37.682 29.656 -1.690 889 HG13 VAL 117 HG13 VAL 117 -39.332 29.044 -1.877 890 HG21 VAL 117 HG21 VAL 117 -36.314 30.219 -3.712 891 HG22 VAL 117 HG22 VAL 117 -37.623 31.324 -4.179 892 HG23 VAL 117 HG23 VAL 117 -37.045 30.116 -5.331 893 H THR 118 H THR 118 -35.297 27.579 -4.270 894 HA THR 118 HA THR 118 -34.773 26.046 -1.967 895 HB THR 118 HB THR 118 -32.491 27.033 -3.581 896 HG1 THR 118 HG1 THR 118 -33.118 25.339 -5.093 897 HG21 THR 118 HG21 THR 118 -33.342 24.285 -2.589 898 HG22 THR 118 HG22 THR 118 -32.053 25.298 -1.898 899 HG23 THR 118 HG23 THR 118 -31.873 24.626 -3.520 900 H TYR 119 H TYR 119 -33.494 26.260 -0.193 901 HA TYR 119 HA TYR 119 -31.870 28.725 0.109 902 HB2 TYR 119 HB2 TYR 119 -33.582 29.113 1.612 903 HB3 TYR 119 HB3 TYR 119 -33.662 27.440 2.109 904 HD1 TYR 119 HD2 TYR 119 -31.561 26.442 3.405 905 HD2 TYR 119 HD1 TYR 119 -32.598 30.610 3.092 906 HE1 TYR 119 HE2 TYR 119 -30.227 26.927 5.452 907 HE2 TYR 119 HE1 TYR 119 -31.327 31.080 5.201 908 HH TYR 119 HH TYR 119 -30.171 30.119 6.983 909 H GLU 120 H GLU 120 -29.673 28.429 0.884 910 HA GLU 120 HA GLU 120 -28.843 25.622 1.419 911 HB2 GLU 120 HB2 GLU 120 -29.026 25.759 -1.046 912 HB3 GLU 120 HB3 GLU 120 -28.116 27.246 -1.023 913 HG2 GLU 120 HG2 GLU 120 -26.253 25.650 0.152 914 HG3 GLU 120 HG3 GLU 120 -27.173 24.400 -0.665 915 H ARG 121 H ARG 121 -27.463 25.946 3.239 916 HA ARG 121 HA ARG 121 -25.176 27.599 2.755 917 HB2 ARG 121 HB2 ARG 121 -27.246 28.659 4.703 918 HB3 ARG 121 HB3 ARG 121 -25.558 28.920 5.069 919 HG2 ARG 121 HG2 ARG 121 -27.114 30.025 2.751 920 HG3 ARG 121 HG3 ARG 121 -26.234 30.839 4.018 921 HD2 ARG 121 HD2 ARG 121 -24.073 29.943 3.044 922 HD3 ARG 121 HD3 ARG 121 -24.986 29.343 1.664 923 HE ARG 121 HE ARG 121 -25.805 31.940 1.825 924 HH11 ARG 121 HH11 ARG 121 -22.660 30.540 1.308 925 HH12 ARG 121 HH12 ARG 121 -21.988 32.043 0.742 926 HH21 ARG 121 HH21 ARG 121 -24.984 33.740 1.204 927 HH22 ARG 121 HH22 ARG 121 -23.302 33.896 0.735 928 H VAL 122 H VAL 122 -23.623 27.800 4.345 929 HA VAL 122 HA VAL 122 -23.177 25.183 5.632 930 HB VAL 122 HB VAL 122 -21.061 27.239 4.967 931 HG11 VAL 122 HG11 VAL 122 -20.964 24.256 5.551 932 HG12 VAL 122 HG12 VAL 122 -20.307 25.578 6.536 933 HG13 VAL 122 HG13 VAL 122 -19.585 25.215 4.967 934 HG21 VAL 122 HG21 VAL 122 -20.548 25.855 2.938 935 HG22 VAL 122 HG22 VAL 122 -22.036 26.789 2.829 936 HG23 VAL 122 HG23 VAL 122 -22.117 25.054 3.150 937 H SER 123 H SER 123 -22.823 24.986 7.789 938 HA SER 123 HA SER 123 -22.195 27.354 9.396 939 HB2 SER 123 HB2 SER 123 -24.473 26.195 9.694 940 HB3 SER 123 HB3 SER 123 -23.579 24.639 10.045 941 HG SER 123 HG SER 123 -24.311 25.798 11.983 942 H LYS 124 H LYS 124 -20.618 27.296 10.738 943 HA LYS 124 HA LYS 124 -18.543 25.318 10.008 944 HB2 LYS 124 HB2 LYS 124 -16.915 27.132 10.656 945 HB3 LYS 124 HB3 LYS 124 -17.911 27.418 9.232 946 HG2 LYS 124 HG2 LYS 124 -19.359 28.927 10.485 947 HG3 LYS 124 HG3 LYS 124 -18.408 28.684 11.967 948 HD2 LYS 124 HD2 LYS 124 -16.532 29.879 11.022 949 HD3 LYS 124 HD3 LYS 124 -17.186 29.710 9.388 950 HE2 LYS 124 HE2 LYS 124 -17.828 31.833 9.622 951 HE3 LYS 124 HE3 LYS 124 -19.227 31.128 10.404 952 HZ1 LYS 124 HZ1 LYS 124 -18.282 31.780 12.568 953 HZ2 LYS 124 HZ2 LYS 124 -18.212 33.019 11.504 954 HZ3 LYS 124 HZ3 LYS 124 -16.867 32.210 11.857 955 H ARG 125 H ARG 125 -17.483 24.085 11.363 956 HA ARG 125 HA ARG 125 -18.462 23.764 14.059 957 HB2 ARG 125 HB2 ARG 125 -17.825 21.977 12.440 958 HB3 ARG 125 HB3 ARG 125 -16.129 22.437 12.608 959 HG2 ARG 125 HG2 ARG 125 -16.170 21.734 14.971 960 HG3 ARG 125 HG3 ARG 125 -17.912 21.388 14.856 961 HD2 ARG 125 HD2 ARG 125 -17.405 19.746 13.005 962 HD3 ARG 125 HD3 ARG 125 -15.697 20.035 13.250 963 HE ARG 125 HE ARG 125 -17.468 18.409 14.889 964 HH11 ARG 125 HH11 ARG 125 -14.325 19.916 14.705 965 HH12 ARG 125 HH12 ARG 125 -13.753 19.181 16.181 966 HH21 ARG 125 HH21 ARG 125 -16.574 17.233 16.581 967 HH22 ARG 125 HH22 ARG 125 -14.966 17.606 17.137 968 H LEU 126 H LEU 126 -17.690 24.278 15.934 969 HA LEU 126 HA LEU 126 -14.817 24.696 16.283 970 HB2 LEU 126 HB2 LEU 126 -14.865 26.735 17.435 971 HB3 LEU 126 HB3 LEU 126 -15.564 26.930 15.859 972 HG LEU 126 HG LEU 126 -16.687 28.364 17.277 973 HD11 LEU 126 HD11 LEU 126 -18.187 27.153 15.721 974 HD12 LEU 126 HD12 LEU 126 -19.003 27.783 17.149 975 HD13 LEU 126 HD13 LEU 126 -18.625 26.046 17.046 976 HD21 LEU 126 HD21 LEU 126 -17.484 26.179 19.210 977 HD22 LEU 126 HD22 LEU 126 -17.717 27.953 19.335 978 HD23 LEU 126 HD23 LEU 126 -16.096 27.261 19.436 979 H ALA 127 H ALA 127 -16.636 22.584 16.835 980 HA ALA 127 HA ALA 127 -16.787 22.234 19.715 981 HB1 ALA 127 HB1 ALA 127 -18.175 21.076 17.886 982 HB2 ALA 127 HB2 ALA 127 -17.519 20.020 19.163 983 HB3 ALA 127 HB3 ALA 127 -16.771 20.095 17.555 984 H12 GCH 201 H12 GCH 128 -28.013 17.408 12.812 985 H1 GCH 201 H1 GCH 128 -30.565 18.018 11.914 986 H10 GCH 201 H10 GCH 128 -28.507 18.113 10.516 987 H11 GCH 201 H11 GCH 128 -29.476 19.491 11.105 988 H9 GCH 201 H9 GCH 128 -26.354 19.187 11.176 989 H4 GCH 201 H4 GCH 128 -26.714 19.408 13.796 990 H5 GCH 201 H5 GCH 128 -27.529 20.913 14.481 991 H2 GCH 201 H2 GCH 128 -29.693 19.821 13.719 992 H3 GCH 201 H3 GCH 128 -28.672 18.894 14.773 993 H6 GCH 201 H6 GCH 128 -24.991 20.528 12.418 994 H7 GCH 201 H7 GCH 128 -25.516 21.830 11.393 995 H8 GCH 201 H8 GCH 128 -25.538 22.049 13.194 996 H17 GCH 201 H17 GCH 128 -27.540 19.559 8.980 997 H18 GCH 201 H18 GCH 128 -26.245 20.733 9.495 998 H16 GCH 201 H16 GCH 128 -27.829 22.030 8.571 999 H13 GCH 201 H13 GCH 128 -29.733 21.246 8.294 1000 H15 GCH 201 H15 GCH 128 -26.914 22.886 10.477 1001 H14 GCH 201 H14 GCH 128 -29.293 21.629 11.879 1002 H41 GCH 201 H41 GCH 128 -28.717 22.578 14.050 1003 H42 GCH 201 H42 GCH 128 -27.134 23.207 13.376 1004 H40 GCH 201 H40 GCH 128 -28.171 25.131 13.711 1005 H35 GCH 201 H35 GCH 128 -29.879 23.561 10.785 1006 H33 GCH 201 H33 GCH 128 -29.853 24.116 8.703 1007 H34 GCH 201 H34 GCH 128 -28.091 24.364 8.453 1008 H31 GCH 201 H31 GCH 128 -29.889 26.474 8.918 1009 H32 GCH 201 H32 GCH 128 -28.190 26.602 9.031 1010 H30 GCH 201 H30 GCH 128 -30.233 26.129 11.405 1011 H29 GCH 201 H29 GCH 128 -27.851 27.959 10.973 1012 H19 GCH 201 H19 GCH 128 -29.159 27.147 13.640 1013 H20 GCH 201 H20 GCH 128 -27.376 27.269 13.100 1014 H21 GCH 201 H21 GCH 128 -28.417 28.760 13.309 1015 H27 GCH 201 H27 GCH 128 -30.363 28.774 12.329 1016 H28 GCH 201 H28 GCH 128 -29.109 29.580 11.274 1017 H25 GCH 201 H25 GCH 128 -30.241 28.355 9.155 1018 H26 GCH 201 H26 GCH 128 -31.440 27.846 10.295 1019 H24 GCH 201 H24 GCH 128 -30.665 30.560 11.434 1020 H22 GCH 201 H22 GCH 128 -31.798 32.803 11.392 1021 H23 GCH 201 H23 GCH 128 -31.769 32.571 9.560 1022 H36 GCH 201 H36 GCH 128 -26.288 24.962 12.216 1023 H37 GCH 201 H37 GCH 128 -26.397 24.834 10.367 1024 H38 GCH 201 H38 GCH 128 -26.473 26.319 11.165 1025 H39 GCH 201 H39 GCH 128 -30.411 23.800 13.377 1026 H11 CHO 202 H11 CHO 129 -36.398 17.667 8.617 1027 H12 CHO 202 H12 CHO 129 -36.206 16.460 9.879 1028 H21 CHO 202 H21 CHO 129 -34.057 16.805 8.672 1029 H22 CHO 202 H22 CHO 129 -34.039 18.467 9.068 1030 H3 CHO 202 H3 CHO 129 -33.965 16.097 10.939 1031 HO3 CHO 202 HO3 CHO 129 -32.292 18.140 10.017 1032 H41 CHO 202 H41 CHO 129 -33.807 17.502 12.849 1033 H42 CHO 202 H42 CHO 129 -33.849 19.046 11.955 1034 H5 CHO 202 H5 CHO 129 -36.062 16.831 12.177 1035 H61 CHO 202 H61 CHO 129 -37.386 18.453 13.433 1036 H62 CHO 202 H62 CHO 129 -35.783 18.387 14.146 1037 H7 CHO 202 H7 CHO 129 -36.976 20.683 13.716 1038 HO7 CHO 202 HO7 CHO 129 -34.893 21.411 13.687 1039 H8 CHO 202 H8 CHO 129 -37.594 20.853 11.777 1040 H9 CHO 202 H9 CHO 129 -35.001 19.857 10.435 1041 H111 CHO 202 H111 CHO 129 -36.354 19.679 8.307 1042 H112 CHO 202 H112 CHO 129 -37.647 20.463 8.987 1043 H121 CHO 202 H121 CHO 129 -36.311 22.137 8.011 1044 H122 CHO 202 H122 CHO 129 -34.879 21.569 8.932 1045 H14 CHO 202 H14 CHO 129 -34.665 21.767 11.229 1046 H151 CHO 202 H151 CHO 129 -36.792 23.137 12.814 1047 H152 CHO 202 H152 CHO 129 -35.020 23.060 13.140 1048 H161 CHO 202 H161 CHO 129 -36.325 25.242 11.517 1049 H162 CHO 202 H162 CHO 129 -34.617 24.879 11.803 1050 H17 CHO 202 H17 CHO 129 -34.304 23.624 9.994 1051 H181 CHO 202 H181 CHO 129 -38.131 23.580 9.307 1052 H182 CHO 202 H182 CHO 129 -38.441 22.045 10.238 1053 H183 CHO 202 H183 CHO 129 -38.134 23.591 11.036 1054 H191 CHO 202 H191 CHO 129 -38.467 18.028 9.858 1055 H192 CHO 202 H192 CHO 129 -38.223 17.361 11.509 1056 H193 CHO 202 H193 CHO 129 -38.257 19.203 11.273 1057 H20 CHO 202 H20 CHO 129 -36.660 24.803 8.573 1058 H211 CHO 202 H211 CHO 129 -33.505 24.789 8.181 1059 H212 CHO 202 H212 CHO 129 -34.579 23.489 7.592 1060 H213 CHO 202 H213 CHO 129 -34.588 25.192 6.894 1061 H221 CHO 202 H221 CHO 129 -34.785 26.934 8.530 1062 H222 CHO 202 H222 CHO 129 -34.959 26.595 10.232 1063 H231 CHO 202 H231 CHO 129 -36.398 28.332 9.485 1064 H232 CHO 202 H232 CHO 129 -37.033 27.452 8.088 1065 HN CHO 202 HN CHO 129 -38.525 29.051 10.281 1066 H261 CHO 202 H261 CHO 129 -40.768 28.594 9.484 1067 H262 CHO 202 H262 CHO 129 -40.495 26.918 9.962 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -23.856 11.069 12.721 2 H2 ALA 1 H2 ALA 1 -24.401 9.901 13.711 3 H3 ALA 1 H3 ALA 1 -22.809 10.427 13.954 4 HA ALA 1 HA ALA 1 -25.059 12.064 14.613 5 HB1 ALA 1 HB1 ALA 1 -23.913 10.475 16.285 6 HB2 ALA 1 HB2 ALA 1 -23.971 12.257 16.764 7 HB3 ALA 1 HB3 ALA 1 -22.468 11.500 16.088 8 H PHE 2 H PHE 2 -24.780 14.333 15.236 9 HA PHE 2 HA PHE 2 -22.719 15.794 13.633 10 HB2 PHE 2 HB2 PHE 2 -25.677 16.470 13.790 11 HB3 PHE 2 HB3 PHE 2 -24.479 17.122 12.719 12 HD1 PHE 2 HD1 PHE 2 -26.167 13.740 13.407 13 HD2 PHE 2 HD2 PHE 2 -24.705 16.534 10.477 14 HE1 PHE 2 HE1 PHE 2 -27.143 12.373 11.614 15 HE2 PHE 2 HE2 PHE 2 -25.626 15.117 8.687 16 HZ PHE 2 HZ PHE 2 -26.862 13.052 9.238 17 H THR 3 H THR 3 -23.219 15.003 16.530 18 HA THR 3 HA THR 3 -24.041 16.974 18.270 19 HB THR 3 HB THR 3 -21.797 14.969 18.599 20 HG1 THR 3 HG1 THR 3 -23.497 13.647 19.385 21 HG21 THR 3 HG21 THR 3 -21.888 16.483 20.538 22 HG22 THR 3 HG22 THR 3 -22.408 14.851 20.960 23 HG23 THR 3 HG23 THR 3 -23.610 16.131 20.743 24 H GLY 4 H GLY 4 -23.196 18.831 19.085 25 HA2 GLY 4 HA2 GLY 4 -20.953 19.567 19.898 26 HA3 GLY 4 HA3 GLY 4 -20.613 19.654 18.089 27 H LYS 5 H LYS 5 -19.941 21.687 19.778 28 HA LYS 5 HA LYS 5 -21.842 23.817 19.484 29 HB2 LYS 5 HB2 LYS 5 -19.283 23.524 20.638 30 HB3 LYS 5 HB3 LYS 5 -19.397 25.025 19.674 31 HG2 LYS 5 HG2 LYS 5 -21.607 24.186 21.747 32 HG3 LYS 5 HG3 LYS 5 -20.123 24.996 22.254 33 HD2 LYS 5 HD2 LYS 5 -22.149 25.919 20.105 34 HD3 LYS 5 HD3 LYS 5 -22.299 26.315 21.860 35 HE2 LYS 5 HE2 LYS 5 -19.987 27.324 19.970 36 HE3 LYS 5 HE3 LYS 5 -21.356 28.371 20.688 37 HZ1 LYS 5 HZ1 LYS 5 -19.147 27.108 22.328 38 HZ2 LYS 5 HZ2 LYS 5 -20.632 27.668 22.839 39 HZ3 LYS 5 HZ3 LYS 5 -19.594 28.710 22.164 40 H PHE 6 H PHE 6 -22.302 24.851 17.589 41 HA PHE 6 HA PHE 6 -20.087 25.222 15.569 42 HB2 PHE 6 HB2 PHE 6 -22.983 24.661 14.875 43 HB3 PHE 6 HB3 PHE 6 -21.599 24.716 13.806 44 HD1 PHE 6 HD2 PHE 6 -20.023 22.828 13.657 45 HD2 PHE 6 HD1 PHE 6 -23.501 22.634 16.169 46 HE1 PHE 6 HE2 PHE 6 -19.696 20.366 13.937 47 HE2 PHE 6 HE1 PHE 6 -23.250 20.177 16.324 48 HZ PHE 6 HZ PHE 6 -21.319 19.050 15.264 49 H GLU 7 H GLU 7 -20.312 27.131 14.348 50 HA GLU 7 HA GLU 7 -22.114 29.031 15.495 51 HB2 GLU 7 HB2 GLU 7 -19.644 29.404 16.310 52 HB3 GLU 7 HB3 GLU 7 -19.174 29.531 14.594 53 HG2 GLU 7 HG2 GLU 7 -20.775 31.524 14.308 54 HG3 GLU 7 HG3 GLU 7 -20.990 31.605 15.975 55 H MET 8 H MET 8 -23.636 29.889 13.940 56 HA MET 8 HA MET 8 -23.662 29.332 11.280 57 HB2 MET 8 HB2 MET 8 -25.556 29.961 12.571 58 HB3 MET 8 HB3 MET 8 -24.925 31.566 12.846 59 HG2 MET 8 HG2 MET 8 -25.127 32.085 10.337 60 HG3 MET 8 HG3 MET 8 -25.797 30.427 10.129 61 HE1 MET 8 HE1 MET 8 -28.963 32.389 9.634 62 HE2 MET 8 HE2 MET 8 -27.820 31.149 9.053 63 HE3 MET 8 HE3 MET 8 -27.248 32.820 9.148 64 H GLU 9 H GLU 9 -22.929 30.263 9.342 65 HA GLU 9 HA GLU 9 -22.998 33.083 9.169 66 HB2 GLU 9 HB2 GLU 9 -20.686 33.140 10.038 67 HB3 GLU 9 HB3 GLU 9 -20.229 31.861 8.852 68 HG2 GLU 9 HG2 GLU 9 -21.082 33.733 7.088 69 HG3 GLU 9 HG3 GLU 9 -20.740 34.855 8.458 70 H SER 10 H SER 10 -24.272 33.032 7.278 71 HA SER 10 HA SER 10 -23.656 32.883 4.810 72 HB2 SER 10 HB2 SER 10 -23.802 29.901 5.433 73 HB3 SER 10 HB3 SER 10 -24.128 30.576 3.827 74 HG SER 10 HG SER 10 -21.784 30.878 5.337 75 H GLU 11 H GLU 11 -25.500 33.870 4.460 76 HA GLU 11 HA GLU 11 -28.001 32.420 5.017 77 HB2 GLU 11 HB2 GLU 11 -27.912 35.453 4.740 78 HB3 GLU 11 HB3 GLU 11 -29.224 34.338 5.159 79 HG2 GLU 11 HG2 GLU 11 -28.835 35.252 7.290 80 HG3 GLU 11 HG3 GLU 11 -27.872 33.722 7.248 81 H LYS 12 H LYS 12 -29.228 31.958 3.101 82 HA LYS 12 HA LYS 12 -28.750 33.821 0.788 83 HB2 LYS 12 HB2 LYS 12 -27.206 31.862 0.745 84 HB3 LYS 12 HB3 LYS 12 -28.598 30.793 0.661 85 HG2 LYS 12 HG2 LYS 12 -29.193 31.758 -1.571 86 HG3 LYS 12 HG3 LYS 12 -27.796 32.862 -1.457 87 HD2 LYS 12 HD2 LYS 12 -26.293 30.863 -1.176 88 HD3 LYS 12 HD3 LYS 12 -27.748 29.862 -1.318 89 HE2 LYS 12 HE2 LYS 12 -28.035 30.452 -3.636 90 HE3 LYS 12 HE3 LYS 12 -26.547 31.412 -3.575 91 HZ1 LYS 12 HZ1 LYS 12 -26.703 28.449 -3.007 92 HZ2 LYS 12 HZ2 LYS 12 -25.352 29.325 -2.914 93 HZ3 LYS 12 HZ3 LYS 12 -26.089 29.117 -4.359 94 H ASN 13 H ASN 13 -30.637 34.706 0.456 95 HA ASN 13 HA ASN 13 -32.825 35.037 0.003 96 HB2 ASN 13 HB2 ASN 13 -32.479 33.270 -1.683 97 HB3 ASN 13 HB3 ASN 13 -32.969 32.061 -0.499 98 HD21 ASN 13 HD21 ASN 13 -34.829 31.304 -1.157 99 HD22 ASN 13 HD22 ASN 13 -36.175 32.326 -1.741 100 H TYR 14 H TYR 14 -31.904 34.460 2.764 101 HA TYR 14 HA TYR 14 -33.730 33.024 4.340 102 HB2 TYR 14 HB2 TYR 14 -32.713 34.238 6.160 103 HB3 TYR 14 HB3 TYR 14 -31.490 33.783 4.985 104 HD1 TYR 14 HD1 TYR 14 -30.345 35.559 3.539 105 HD2 TYR 14 HD2 TYR 14 -33.077 36.473 6.726 106 HE1 TYR 14 HE1 TYR 14 -29.527 37.901 3.580 107 HE2 TYR 14 HE2 TYR 14 -32.334 38.850 6.686 108 HH TYR 14 HH TYR 14 -30.535 40.104 4.175 109 H ASP 15 H ASP 15 -33.835 36.437 3.325 110 HA ASP 15 HA ASP 15 -35.941 37.538 4.728 111 HB2 ASP 15 HB2 ASP 15 -35.213 38.164 1.782 112 HB3 ASP 15 HB3 ASP 15 -36.081 39.106 3.052 113 H GLU 16 H GLU 16 -36.304 35.671 1.779 114 HA GLU 16 HA GLU 16 -39.159 35.724 1.851 115 HB2 GLU 16 HB2 GLU 16 -37.354 33.932 0.176 116 HB3 GLU 16 HB3 GLU 16 -39.005 34.089 -0.041 117 HG2 GLU 16 HG2 GLU 16 -36.921 36.477 -0.274 118 HG3 GLU 16 HG3 GLU 16 -37.716 35.438 -1.555 119 H PHE 17 H PHE 17 -36.771 33.295 2.518 120 HA PHE 17 HA PHE 17 -38.493 31.102 2.498 121 HB2 PHE 17 HB2 PHE 17 -35.955 31.349 2.125 122 HB3 PHE 17 HB3 PHE 17 -35.768 31.334 3.875 123 HD1 PHE 17 HD1 PHE 17 -36.599 29.429 0.862 124 HD2 PHE 17 HD2 PHE 17 -36.313 29.262 5.163 125 HE1 PHE 17 HE1 PHE 17 -36.769 26.959 0.780 126 HE2 PHE 17 HE2 PHE 17 -36.422 26.775 5.063 127 HZ PHE 17 HZ PHE 17 -36.718 25.650 2.878 128 H MET 18 H MET 18 -37.060 32.833 5.329 129 HA MET 18 HA MET 18 -38.455 31.103 7.230 130 HB2 MET 18 HB2 MET 18 -36.848 33.645 7.471 131 HB3 MET 18 HB3 MET 18 -37.682 32.936 8.866 132 HG2 MET 18 HG2 MET 18 -35.609 31.508 7.152 133 HG3 MET 18 HG3 MET 18 -35.319 32.256 8.717 134 HE1 MET 18 HE1 MET 18 -35.044 28.913 10.326 135 HE2 MET 18 HE2 MET 18 -34.561 30.613 10.237 136 HE3 MET 18 HE3 MET 18 -34.235 29.538 8.870 137 H LYS 19 H LYS 19 -39.355 34.076 5.558 138 HA LYS 19 HA LYS 19 -41.700 34.576 7.253 139 HB2 LYS 19 HB2 LYS 19 -40.852 35.655 4.528 140 HB3 LYS 19 HB3 LYS 19 -42.440 35.958 5.236 141 HG2 LYS 19 HG2 LYS 19 -41.147 36.800 7.326 142 HG3 LYS 19 HG3 LYS 19 -39.754 36.902 6.246 143 HD2 LYS 19 HD2 LYS 19 -42.442 38.261 5.789 144 HD3 LYS 19 HD3 LYS 19 -41.079 39.038 6.574 145 HE2 LYS 19 HE2 LYS 19 -41.003 37.971 3.712 146 HE3 LYS 19 HE3 LYS 19 -41.438 39.630 4.134 147 HZ1 LYS 19 HZ1 LYS 19 -39.190 39.821 5.174 148 HZ2 LYS 19 HZ2 LYS 19 -39.109 39.465 3.554 149 HZ3 LYS 19 HZ3 LYS 19 -38.859 38.299 4.628 150 H LEU 20 H LEU 20 -41.269 33.137 4.065 151 HA LEU 20 HA LEU 20 -43.753 32.053 3.566 152 HB2 LEU 20 HB2 LEU 20 -41.027 30.982 2.950 153 HB3 LEU 20 HB3 LEU 20 -42.555 30.148 2.329 154 HG LEU 20 HG LEU 20 -42.091 33.103 1.790 155 HD11 LEU 20 HD11 LEU 20 -40.853 32.577 -0.221 156 HD12 LEU 20 HD12 LEU 20 -41.294 30.753 -0.084 157 HD13 LEU 20 HD13 LEU 20 -40.125 31.611 0.979 158 HD21 LEU 20 HD21 LEU 20 -44.394 32.253 1.191 159 HD22 LEU 20 HD22 LEU 20 -43.737 30.824 0.362 160 HD23 LEU 20 HD23 LEU 20 -43.577 32.604 -0.193 161 H LEU 21 H LEU 21 -41.218 30.395 5.480 162 HA LEU 21 HA LEU 21 -42.952 28.259 6.241 163 HB2 LEU 21 HB2 LEU 21 -40.284 29.331 7.156 164 HB3 LEU 21 HB3 LEU 21 -41.085 28.112 8.135 165 HG LEU 21 HG LEU 21 -40.854 27.695 5.172 166 HD11 LEU 21 HD11 LEU 21 -38.590 28.199 5.933 167 HD12 LEU 21 HD12 LEU 21 -38.757 26.484 5.490 168 HD13 LEU 21 HD13 LEU 21 -38.721 26.974 7.191 169 HD21 LEU 21 HD21 LEU 21 -40.862 25.311 5.796 170 HD22 LEU 21 HD22 LEU 21 -42.309 26.146 6.369 171 HD23 LEU 21 HD23 LEU 21 -41.007 25.759 7.502 172 H GLY 22 H GLY 22 -42.994 31.509 7.581 173 HA2 GLY 22 HA2 GLY 22 -45.073 31.798 9.054 174 HA3 GLY 22 HA3 GLY 22 -44.550 30.356 9.929 175 H ILE 23 H ILE 23 -41.892 32.414 9.171 176 HA ILE 23 HA ILE 23 -42.122 33.379 11.990 177 HB ILE 23 HB ILE 23 -39.535 33.013 10.449 178 HG12 ILE 23 HG12 ILE 23 -40.826 31.171 12.506 179 HG13 ILE 23 HG13 ILE 23 -40.514 30.829 10.797 180 HG21 ILE 23 HG21 ILE 23 -38.598 33.385 12.731 181 HG22 ILE 23 HG22 ILE 23 -40.237 33.622 13.346 182 HG23 ILE 23 HG23 ILE 23 -39.534 34.770 12.176 183 HD11 ILE 23 HD11 ILE 23 -38.811 29.717 12.094 184 HD12 ILE 23 HD12 ILE 23 -38.399 31.200 12.938 185 HD13 ILE 23 HD13 ILE 23 -38.091 31.037 11.188 186 H SER 24 H SER 24 -43.002 35.405 11.814 187 HA SER 24 HA SER 24 -42.529 37.161 9.546 188 HB2 SER 24 HB2 SER 24 -43.715 38.178 12.088 189 HB3 SER 24 HB3 SER 24 -43.842 38.609 10.296 190 HG SER 24 HG SER 24 -44.695 36.251 11.421 191 H SER 25 H SER 25 -41.146 37.603 12.886 192 HA SER 25 HA SER 25 -39.040 39.303 11.598 193 HB2 SER 25 HB2 SER 25 -40.525 40.016 14.050 194 HB3 SER 25 HB3 SER 25 -39.031 40.766 13.397 195 HG SER 25 HG SER 25 -40.151 41.414 11.546 196 H ASP 26 H ASP 26 -40.109 36.899 14.007 197 HA ASP 26 HA ASP 26 -38.519 37.215 16.092 198 HB2 ASP 26 HB2 ASP 26 -40.397 35.614 15.660 199 HB3 ASP 26 HB3 ASP 26 -39.232 34.386 15.146 200 H VAL 27 H VAL 27 -37.793 34.856 13.488 201 HA VAL 27 HA VAL 27 -35.058 34.469 14.510 202 HB VAL 27 HB VAL 27 -36.637 32.562 13.649 203 HG11 VAL 27 HG11 VAL 27 -36.077 31.820 11.396 204 HG12 VAL 27 HG12 VAL 27 -35.063 33.212 11.102 205 HG13 VAL 27 HG13 VAL 27 -36.820 33.416 11.271 206 HG21 VAL 27 HG21 VAL 27 -33.662 32.650 13.044 207 HG22 VAL 27 HG22 VAL 27 -34.656 31.192 13.203 208 HG23 VAL 27 HG23 VAL 27 -34.420 32.243 14.597 209 H ILE 28 H ILE 28 -36.631 36.084 11.905 210 HA ILE 28 HA ILE 28 -34.307 36.193 10.225 211 HB ILE 28 HB ILE 28 -36.848 37.892 10.043 212 HG12 ILE 28 HG12 ILE 28 -36.133 35.350 8.689 213 HG13 ILE 28 HG13 ILE 28 -37.269 35.577 10.135 214 HG21 ILE 28 HG21 ILE 28 -34.780 36.878 7.836 215 HG22 ILE 28 HG22 ILE 28 -34.604 38.514 8.568 216 HG23 ILE 28 HG23 ILE 28 -36.020 38.107 7.548 217 HD11 ILE 28 HD11 ILE 28 -38.734 37.098 8.716 218 HD12 ILE 28 HD12 ILE 28 -38.601 35.318 8.212 219 HD13 ILE 28 HD13 ILE 28 -37.673 36.668 7.316 220 H GLU 29 H GLU 29 -35.905 38.804 12.369 221 HA GLU 29 HA GLU 29 -33.841 40.619 11.881 222 HB2 GLU 29 HB2 GLU 29 -35.696 40.315 14.283 223 HB3 GLU 29 HB3 GLU 29 -34.590 41.592 14.155 224 HG2 GLU 29 HG2 GLU 29 -36.714 40.930 12.044 225 HG3 GLU 29 HG3 GLU 29 -36.827 42.343 13.215 226 H LYS 30 H LYS 30 -33.773 37.681 13.779 227 HA LYS 30 HA LYS 30 -31.531 38.625 15.223 228 HB2 LYS 30 HB2 LYS 30 -32.711 35.799 15.237 229 HB3 LYS 30 HB3 LYS 30 -31.520 36.331 16.444 230 HG2 LYS 30 HG2 LYS 30 -34.314 37.681 15.877 231 HG3 LYS 30 HG3 LYS 30 -33.919 36.548 17.232 232 HD2 LYS 30 HD2 LYS 30 -32.385 38.440 18.083 233 HD3 LYS 30 HD3 LYS 30 -32.913 39.439 16.794 234 HE2 LYS 30 HE2 LYS 30 -35.220 39.127 17.637 235 HE3 LYS 30 HE3 LYS 30 -34.684 38.194 19.174 236 HZ1 LYS 30 HZ1 LYS 30 -33.799 40.884 18.297 237 HZ2 LYS 30 HZ2 LYS 30 -33.491 40.240 19.762 238 HZ3 LYS 30 HZ3 LYS 30 -35.102 40.623 19.323 239 H ALA 31 H ALA 31 -32.132 36.124 12.729 240 HA ALA 31 HA ALA 31 -29.555 35.225 12.459 241 HB1 ALA 31 HB1 ALA 31 -30.295 34.339 10.174 242 HB2 ALA 31 HB2 ALA 31 -31.678 35.415 10.220 243 HB3 ALA 31 HB3 ALA 31 -31.566 33.965 11.302 244 H ARG 32 H ARG 32 -31.151 37.906 10.707 245 HA ARG 32 HA ARG 32 -29.154 38.306 8.705 246 HB2 ARG 32 HB2 ARG 32 -30.349 40.276 8.144 247 HB3 ARG 32 HB3 ARG 32 -31.533 39.101 8.713 248 HG2 ARG 32 HG2 ARG 32 -31.428 40.278 10.992 249 HG3 ARG 32 HG3 ARG 32 -30.531 41.566 10.178 250 HD2 ARG 32 HD2 ARG 32 -33.326 40.596 9.424 251 HD3 ARG 32 HD3 ARG 32 -32.954 42.035 10.381 252 HE ARG 32 HE ARG 32 -31.904 41.745 7.597 253 HH11 ARG 32 HH11 ARG 32 -34.280 43.414 9.618 254 HH12 ARG 32 HH12 ARG 32 -34.198 44.835 8.665 255 HH21 ARG 32 HH21 ARG 32 -32.032 43.534 6.325 256 HH22 ARG 32 HH22 ARG 32 -33.022 44.886 6.808 257 H ASN 33 H ASN 33 -29.198 39.349 12.026 258 HA ASN 33 HA ASN 33 -27.246 41.524 11.532 259 HB2 ASN 33 HB2 ASN 33 -29.007 40.780 13.897 260 HB3 ASN 33 HB3 ASN 33 -27.713 41.979 14.007 261 HD21 ASN 33 HD21 ASN 33 -31.030 41.698 13.364 262 HD22 ASN 33 HD22 ASN 33 -31.138 43.304 12.653 263 H PHE 34 H PHE 34 -27.389 39.511 14.352 264 HA PHE 34 HA PHE 34 -24.475 39.203 14.373 265 HB2 PHE 34 HB2 PHE 34 -25.040 38.637 16.882 266 HB3 PHE 34 HB3 PHE 34 -24.962 40.277 16.263 267 HD1 PHE 34 HD1 PHE 34 -27.597 37.561 16.332 268 HD2 PHE 34 HD2 PHE 34 -26.642 41.713 16.996 269 HE1 PHE 34 HE1 PHE 34 -29.970 38.036 16.808 270 HE2 PHE 34 HE2 PHE 34 -29.025 42.190 17.461 271 HZ PHE 34 HZ PHE 34 -30.705 40.366 17.340 272 H LYS 35 H LYS 35 -26.799 37.352 13.259 273 HA LYS 35 HA LYS 35 -27.104 35.159 12.787 274 HB2 LYS 35 HB2 LYS 35 -24.080 35.098 13.135 275 HB3 LYS 35 HB3 LYS 35 -25.040 33.812 12.441 276 HG2 LYS 35 HG2 LYS 35 -24.191 34.912 10.596 277 HG3 LYS 35 HG3 LYS 35 -25.870 35.428 10.676 278 HD2 LYS 35 HD2 LYS 35 -25.127 37.622 11.621 279 HD3 LYS 35 HD3 LYS 35 -23.459 37.042 11.649 280 HE2 LYS 35 HE2 LYS 35 -23.710 38.497 9.770 281 HE3 LYS 35 HE3 LYS 35 -23.573 36.844 9.141 282 HZ1 LYS 35 HZ1 LYS 35 -26.138 38.361 9.402 283 HZ2 LYS 35 HZ2 LYS 35 -25.954 36.792 8.857 284 HZ3 LYS 35 HZ3 LYS 35 -25.386 37.944 8.005 285 H ILE 36 H ILE 36 -26.413 32.788 13.586 286 HA ILE 36 HA ILE 36 -27.399 32.686 16.420 287 HB ILE 36 HB ILE 36 -28.593 31.349 13.959 288 HG12 ILE 36 HG12 ILE 36 -29.619 33.677 15.647 289 HG13 ILE 36 HG13 ILE 36 -29.121 33.710 13.963 290 HG21 ILE 36 HG21 ILE 36 -29.619 31.267 16.820 291 HG22 ILE 36 HG22 ILE 36 -28.741 29.946 16.023 292 HG23 ILE 36 HG23 ILE 36 -30.298 30.443 15.403 293 HD11 ILE 36 HD11 ILE 36 -31.583 32.319 15.052 294 HD12 ILE 36 HD12 ILE 36 -30.979 32.158 13.402 295 HD13 ILE 36 HD13 ILE 36 -31.504 33.743 14.000 296 H VAL 37 H VAL 37 -26.222 31.220 17.649 297 HA VAL 37 HA VAL 37 -24.491 29.329 16.158 298 HB VAL 37 HB VAL 37 -23.098 29.115 17.980 299 HG11 VAL 37 HG11 VAL 37 -22.346 31.342 18.396 300 HG12 VAL 37 HG12 VAL 37 -23.965 32.029 18.140 301 HG13 VAL 37 HG13 VAL 37 -23.061 31.344 16.780 302 HG21 VAL 37 HG21 VAL 37 -23.498 30.072 20.212 303 HG22 VAL 37 HG22 VAL 37 -24.673 28.804 19.824 304 HG23 VAL 37 HG23 VAL 37 -25.145 30.518 19.713 305 H THR 38 H THR 38 -24.315 27.079 16.572 306 HA THR 38 HA THR 38 -26.849 25.877 17.538 307 HB THR 38 HB THR 38 -24.853 24.358 15.939 308 HG1 THR 38 HG1 THR 38 -26.886 25.993 14.929 309 HG21 THR 38 HG21 THR 38 -27.879 24.147 16.221 310 HG22 THR 38 HG22 THR 38 -26.677 23.060 16.886 311 HG23 THR 38 HG23 THR 38 -26.864 23.168 15.138 312 H GLU 39 H GLU 39 -27.033 24.260 19.072 313 HA GLU 39 HA GLU 39 -24.523 22.907 19.952 314 HB2 GLU 39 HB2 GLU 39 -26.783 23.967 21.693 315 HB3 GLU 39 HB3 GLU 39 -25.501 22.879 22.251 316 HG2 GLU 39 HG2 GLU 39 -23.786 24.508 21.619 317 HG3 GLU 39 HG3 GLU 39 -25.006 25.631 21.033 318 H VAL 40 H VAL 40 -24.724 20.958 19.039 319 HA VAL 40 HA VAL 40 -27.383 19.613 18.877 320 HB VAL 40 HB VAL 40 -24.893 18.922 17.341 321 HG11 VAL 40 HG11 VAL 40 -27.826 18.255 16.814 322 HG12 VAL 40 HG12 VAL 40 -26.548 17.103 17.286 323 HG13 VAL 40 HG13 VAL 40 -26.478 17.886 15.727 324 HG21 VAL 40 HG21 VAL 40 -27.159 20.746 16.475 325 HG22 VAL 40 HG22 VAL 40 -25.877 20.104 15.424 326 HG23 VAL 40 HG23 VAL 40 -25.448 21.197 16.727 327 H GLN 41 H GLN 41 -27.682 17.342 19.407 328 HA GLN 41 HA GLN 41 -25.727 15.663 20.535 329 HB2 GLN 41 HB2 GLN 41 -26.153 16.788 22.366 330 HB3 GLN 41 HB3 GLN 41 -28.070 16.637 22.212 331 HG2 GLN 41 HG2 GLN 41 -26.249 14.139 22.314 332 HG3 GLN 41 HG3 GLN 41 -26.819 14.900 23.777 333 HE21 GLN 41 HE21 GLN 41 -27.219 12.410 22.986 334 HE22 GLN 41 HE22 GLN 41 -28.941 12.078 22.693 335 H GLN 42 H GLN 42 -26.215 13.768 19.419 336 HA GLN 42 HA GLN 42 -28.959 13.071 18.986 337 HB2 GLN 42 HB2 GLN 42 -26.870 12.957 16.714 338 HB3 GLN 42 HB3 GLN 42 -28.482 12.133 16.735 339 HG2 GLN 42 HG2 GLN 42 -29.514 13.976 15.934 340 HG3 GLN 42 HG3 GLN 42 -28.761 15.050 17.231 341 HE21 GLN 42 HE21 GLN 42 -29.195 14.997 13.992 342 HE22 GLN 42 HE22 GLN 42 -27.643 15.634 13.485 343 H ASP 43 H ASP 43 -29.177 10.870 19.255 344 HA ASP 43 HA ASP 43 -26.698 9.298 19.276 345 HB2 ASP 43 HB2 ASP 43 -27.096 9.896 21.707 346 HB3 ASP 43 HB3 ASP 43 -28.750 9.153 21.548 347 H GLY 44 H GLY 44 -27.170 7.633 17.981 348 HA2 GLY 44 HA2 GLY 44 -28.213 6.020 16.719 349 HA3 GLY 44 HA3 GLY 44 -29.392 5.893 18.027 350 H GLN 45 H GLN 45 -31.332 6.414 17.582 351 HA GLN 45 HA GLN 45 -32.202 7.458 14.965 352 HB2 GLN 45 HB2 GLN 45 -32.996 5.276 16.327 353 HB3 GLN 45 HB3 GLN 45 -33.977 6.443 17.192 354 HG2 GLN 45 HG2 GLN 45 -35.387 5.667 15.494 355 HG3 GLN 45 HG3 GLN 45 -34.794 7.204 14.864 356 HE21 GLN 45 HE21 GLN 45 -35.658 6.207 12.855 357 HE22 GLN 45 HE22 GLN 45 -34.544 5.144 11.957 358 H ASP 46 H ASP 46 -31.825 8.413 18.316 359 HA ASP 46 HA ASP 46 -33.792 10.529 18.228 360 HB2 ASP 46 HB2 ASP 46 -32.140 9.329 20.411 361 HB3 ASP 46 HB3 ASP 46 -32.884 10.912 20.622 362 H PHE 47 H PHE 47 -33.538 12.649 18.785 363 HA PHE 47 HA PHE 47 -31.031 13.893 17.985 364 HB2 PHE 47 HB2 PHE 47 -32.568 13.511 15.883 365 HB3 PHE 47 HB3 PHE 47 -34.015 14.195 16.661 366 HD1 PHE 47 HD2 PHE 47 -33.809 16.684 17.355 367 HD2 PHE 47 HD1 PHE 47 -31.208 14.789 14.619 368 HE1 PHE 47 HE2 PHE 47 -33.291 18.825 16.360 369 HE2 PHE 47 HE1 PHE 47 -30.607 16.916 13.620 370 HZ PHE 47 HZ PHE 47 -31.563 19.021 14.545 371 H THR 48 H THR 48 -30.548 15.758 18.711 372 HA THR 48 HA THR 48 -32.626 17.819 19.565 373 HB THR 48 HB THR 48 -30.233 16.844 21.170 374 HG1 THR 48 HG1 THR 48 -31.973 16.073 21.853 375 HG21 THR 48 HG21 THR 48 -31.736 19.573 21.494 376 HG22 THR 48 HG22 THR 48 -30.010 19.557 21.164 377 HG23 THR 48 HG23 THR 48 -30.567 18.854 22.635 378 H TRP 49 H TRP 49 -32.378 19.578 18.451 379 HA TRP 49 HA TRP 49 -29.563 20.393 18.531 380 HB2 TRP 49 HB2 TRP 49 -29.398 21.668 16.694 381 HB3 TRP 49 HB3 TRP 49 -30.012 20.148 16.119 382 HD1 TRP 49 HD1 TRP 49 -32.280 23.154 17.204 383 HE1 TRP 49 HE1 TRP 49 -33.651 23.823 15.169 384 HE3 TRP 49 HE3 TRP 49 -30.053 20.283 13.655 385 HZ2 TRP 49 HZ2 TRP 49 -33.318 23.729 12.289 386 HZ3 TRP 49 HZ3 TRP 49 -30.684 20.526 11.227 387 HH2 TRP 49 HH2 TRP 49 -32.308 22.252 10.551 388 H SER 50 H SER 50 -29.291 22.106 19.637 389 HA SER 50 HA SER 50 -31.516 23.799 20.521 390 HB2 SER 50 HB2 SER 50 -28.814 23.190 21.892 391 HB3 SER 50 HB3 SER 50 -30.071 24.306 22.528 392 HG SER 50 HG SER 50 -30.108 22.318 23.515 393 H GLN 51 H GLN 51 -31.254 25.855 20.058 394 HA GLN 51 HA GLN 51 -28.994 26.638 18.258 395 HB2 GLN 51 HB2 GLN 51 -31.152 25.461 17.314 396 HB3 GLN 51 HB3 GLN 51 -31.962 26.936 17.765 397 HG2 GLN 51 HG2 GLN 51 -31.504 27.247 15.500 398 HG3 GLN 51 HG3 GLN 51 -30.168 28.121 16.255 399 HE21 GLN 51 HE21 GLN 51 -31.096 24.902 14.814 400 HE22 GLN 51 HE22 GLN 51 -29.482 24.560 14.278 401 H HIS 52 H HIS 52 -28.307 28.711 18.700 402 HA HIS 52 HA HIS 52 -29.849 30.271 20.772 403 HB2 HIS 52 HB2 HIS 52 -28.144 28.995 21.857 404 HB3 HIS 52 HB3 HIS 52 -26.949 29.410 20.651 405 HD1 HIS 52 HD1 HIS 52 -26.459 32.235 20.595 406 HD2 HIS 52 HD2 HIS 52 -27.616 30.193 24.059 407 HE1 HIS 52 HE1 HIS 52 -25.692 33.734 22.585 408 H TYR 53 H TYR 53 -30.491 32.136 19.965 409 HA TYR 53 HA TYR 53 -29.285 33.582 17.756 410 HB2 TYR 53 HB2 TYR 53 -30.864 34.769 20.082 411 HB3 TYR 53 HB3 TYR 53 -30.591 35.495 18.516 412 HD1 TYR 53 HD1 TYR 53 -31.546 32.443 17.337 413 HD2 TYR 53 HD2 TYR 53 -33.140 35.702 19.661 414 HE1 TYR 53 HE1 TYR 53 -33.849 31.872 16.625 415 HE2 TYR 53 HE2 TYR 53 -35.460 35.068 18.959 416 HH TYR 53 HH TYR 53 -36.773 33.627 17.585 417 H SER 54 H SER 54 -27.262 34.732 17.885 418 HA SER 54 HA SER 54 -26.225 35.481 20.383 419 HB2 SER 54 HB2 SER 54 -25.818 36.298 17.507 420 HB3 SER 54 HB3 SER 54 -24.735 36.939 18.741 421 HG SER 54 HG SER 54 -23.865 34.792 17.923 422 H GLY 55 H GLY 55 -28.797 36.563 19.129 423 HA2 GLY 55 HA2 GLY 55 -28.897 39.389 20.124 424 HA3 GLY 55 HA3 GLY 55 -30.154 38.360 19.599 425 H GLY 56 H GLY 56 -28.763 36.269 21.807 426 HA2 GLY 56 HA2 GLY 56 -28.960 35.975 23.902 427 HA3 GLY 56 HA3 GLY 56 -29.786 37.495 24.201 428 H HIS 57 H HIS 57 -30.544 34.485 22.358 429 HA HIS 57 HA HIS 57 -32.553 33.685 24.287 430 HB2 HIS 57 HB2 HIS 57 -33.819 35.365 22.926 431 HB3 HIS 57 HB3 HIS 57 -33.434 34.444 21.490 432 HD1 HIS 57 HD1 HIS 57 -35.109 32.502 20.829 433 HD2 HIS 57 HD2 HIS 57 -35.741 34.407 24.546 434 HE1 HIS 57 HE1 HIS 57 -37.446 31.801 21.605 435 H THR 58 H THR 58 -33.401 31.503 23.729 436 HA THR 58 HA THR 58 -31.810 30.015 21.715 437 HB THR 58 HB THR 58 -32.364 28.894 24.451 438 HG1 THR 58 HG1 THR 58 -30.275 29.386 24.971 439 HG21 THR 58 HG21 THR 58 -30.492 27.374 23.961 440 HG22 THR 58 HG22 THR 58 -30.307 28.099 22.355 441 HG23 THR 58 HG23 THR 58 -31.780 27.196 22.767 442 H MET 59 H MET 59 -32.865 28.289 20.702 443 HA MET 59 HA MET 59 -35.490 27.576 21.844 444 HB2 MET 59 HB2 MET 59 -36.497 27.266 19.487 445 HB3 MET 59 HB3 MET 59 -36.178 28.896 19.733 446 HG2 MET 59 HG2 MET 59 -33.990 27.207 18.442 447 HG3 MET 59 HG3 MET 59 -35.353 27.770 17.594 448 HE1 MET 59 HE1 MET 59 -33.073 28.192 16.430 449 HE2 MET 59 HE2 MET 59 -32.533 29.859 16.148 450 HE3 MET 59 HE3 MET 59 -34.192 29.601 15.869 451 H THR 60 H THR 60 -36.010 25.322 21.531 452 HA THR 60 HA THR 60 -33.775 23.709 20.519 453 HB THR 60 HB THR 60 -33.317 22.398 22.205 454 HG1 THR 60 HG1 THR 60 -35.856 22.969 23.277 455 HG21 THR 60 HG21 THR 60 -33.108 23.587 24.321 456 HG22 THR 60 HG22 THR 60 -34.265 24.825 23.800 457 HG23 THR 60 HG23 THR 60 -32.689 24.656 22.983 458 H ASN 61 H ASN 61 -34.131 21.788 19.521 459 HA ASN 61 HA ASN 61 -37.012 21.094 19.051 460 HB2 ASN 61 HB2 ASN 61 -34.686 21.128 17.076 461 HB3 ASN 61 HB3 ASN 61 -36.321 20.593 16.729 462 HD21 ASN 61 HD21 ASN 61 -37.320 23.127 18.401 463 HD22 ASN 61 HD22 ASN 61 -37.200 24.314 17.084 464 H LYS 62 H LYS 62 -37.304 19.046 20.187 465 HA LYS 62 HA LYS 62 -35.291 17.075 19.656 466 HB2 LYS 62 HB2 LYS 62 -37.315 17.612 21.970 467 HB3 LYS 62 HB3 LYS 62 -36.687 15.941 21.822 468 HG2 LYS 62 HG2 LYS 62 -35.488 16.985 23.548 469 HG3 LYS 62 HG3 LYS 62 -34.294 16.902 22.261 470 HD2 LYS 62 HD2 LYS 62 -34.324 19.314 21.863 471 HD3 LYS 62 HD3 LYS 62 -35.811 19.476 22.726 472 HE2 LYS 62 HE2 LYS 62 -33.629 20.255 23.859 473 HE3 LYS 62 HE3 LYS 62 -34.634 19.178 24.932 474 HZ1 LYS 62 HZ1 LYS 62 -33.136 17.458 24.751 475 HZ2 LYS 62 HZ2 LYS 62 -32.191 18.962 24.624 476 HZ3 LYS 62 HZ3 LYS 62 -32.536 18.031 23.270 477 H PHE 63 H PHE 63 -35.810 15.121 18.676 478 HA PHE 63 HA PHE 63 -38.483 14.143 18.576 479 HB2 PHE 63 HB2 PHE 63 -38.999 14.186 16.211 480 HB3 PHE 63 HB3 PHE 63 -38.625 15.896 16.693 481 HD1 PHE 63 HD1 PHE 63 -36.115 16.757 16.085 482 HD2 PHE 63 HD2 PHE 63 -37.846 13.068 14.605 483 HE1 PHE 63 HE1 PHE 63 -34.392 16.548 14.326 484 HE2 PHE 63 HE2 PHE 63 -35.993 12.879 13.012 485 HZ PHE 63 HZ PHE 63 -34.377 14.734 12.791 486 H THR 64 H THR 64 -38.434 12.165 17.049 487 HA THR 64 HA THR 64 -35.778 10.920 17.180 488 HB THR 64 HB THR 64 -38.385 9.405 17.338 489 HG1 THR 64 HG1 THR 64 -36.676 9.977 19.488 490 HG21 THR 64 HG21 THR 64 -35.516 8.539 17.978 491 HG22 THR 64 HG22 THR 64 -36.380 7.956 16.571 492 HG23 THR 64 HG23 THR 64 -36.991 7.617 18.353 493 H VAL 65 H VAL 65 -35.138 10.183 15.166 494 HA VAL 65 HA VAL 65 -36.637 10.803 12.804 495 HB VAL 65 HB VAL 65 -34.114 10.937 13.109 496 HG11 VAL 65 HG11 VAL 65 -32.759 9.122 12.269 497 HG12 VAL 65 HG12 VAL 65 -34.177 8.088 12.031 498 HG13 VAL 65 HG13 VAL 65 -33.645 8.551 13.654 499 HG21 VAL 65 HG21 VAL 65 -33.692 10.672 10.740 500 HG22 VAL 65 HG22 VAL 65 -35.264 11.411 10.995 501 HG23 VAL 65 HG23 VAL 65 -35.152 9.702 10.536 502 H GLY 66 H GLY 66 -37.417 9.559 11.062 503 HA2 GLY 66 HA2 GLY 66 -38.663 7.818 10.213 504 HA3 GLY 66 HA3 GLY 66 -37.990 6.723 11.432 505 H LYS 67 H LYS 67 -39.363 9.549 12.806 506 HA LYS 67 HA LYS 67 -42.041 8.328 13.230 507 HB2 LYS 67 HB2 LYS 67 -40.312 7.921 15.080 508 HB3 LYS 67 HB3 LYS 67 -40.347 9.660 15.364 509 HG2 LYS 67 HG2 LYS 67 -42.633 9.593 16.115 510 HG3 LYS 67 HG3 LYS 67 -42.765 7.863 15.694 511 HD2 LYS 67 HD2 LYS 67 -40.974 7.313 17.289 512 HD3 LYS 67 HD3 LYS 67 -40.713 9.030 17.640 513 HE2 LYS 67 HE2 LYS 67 -42.981 9.195 18.600 514 HE3 LYS 67 HE3 LYS 67 -43.252 7.477 18.264 515 HZ1 LYS 67 HZ1 LYS 67 -41.075 8.534 19.993 516 HZ2 LYS 67 HZ2 LYS 67 -41.376 6.956 19.714 517 HZ3 LYS 67 HZ3 LYS 67 -42.464 7.853 20.561 518 H GLU 68 H GLU 68 -43.579 10.098 14.243 519 HA GLU 68 HA GLU 68 -43.399 12.414 12.544 520 HB2 GLU 68 HB2 GLU 68 -44.789 10.729 11.916 521 HB3 GLU 68 HB3 GLU 68 -45.831 10.779 13.317 522 HG2 GLU 68 HG2 GLU 68 -46.464 13.157 12.622 523 HG3 GLU 68 HG3 GLU 68 -45.233 13.191 11.309 524 H SER 69 H SER 69 -44.835 14.080 13.354 525 HA SER 69 HA SER 69 -46.089 15.310 14.604 526 HB2 SER 69 HB2 SER 69 -47.502 14.386 16.250 527 HB3 SER 69 HB3 SER 69 -47.175 13.125 15.052 528 HG SER 69 HG SER 69 -45.464 12.430 16.522 529 H ASN 70 H ASN 70 -43.268 14.349 16.356 530 HA ASN 70 HA ASN 70 -43.620 16.718 18.139 531 HB2 ASN 70 HB2 ASN 70 -43.162 14.266 18.953 532 HB3 ASN 70 HB3 ASN 70 -41.489 14.601 18.489 533 HD21 ASN 70 HD21 ASN 70 -40.361 16.393 19.687 534 HD22 ASN 70 HD22 ASN 70 -41.007 16.785 21.266 535 H ILE 71 H ILE 71 -42.825 17.412 15.338 536 HA ILE 71 HA ILE 71 -39.965 17.346 15.151 537 HB ILE 71 HB ILE 71 -42.168 17.195 13.208 538 HG12 ILE 71 HG12 ILE 71 -40.298 15.554 12.304 539 HG13 ILE 71 HG13 ILE 71 -39.429 15.894 13.768 540 HG21 ILE 71 HG21 ILE 71 -40.394 17.761 11.484 541 HG22 ILE 71 HG22 ILE 71 -39.235 18.166 12.844 542 HG23 ILE 71 HG23 ILE 71 -40.611 19.239 12.551 543 HD11 ILE 71 HD11 ILE 71 -42.071 14.388 13.409 544 HD12 ILE 71 HD12 ILE 71 -41.276 14.805 15.068 545 HD13 ILE 71 HD13 ILE 71 -40.350 13.828 13.926 546 H GLN 72 H GLN 72 -39.503 19.427 16.219 547 HA GLN 72 HA GLN 72 -41.407 21.659 16.192 548 HB2 GLN 72 HB2 GLN 72 -38.731 21.325 17.543 549 HB3 GLN 72 HB3 GLN 72 -39.854 22.662 17.811 550 HG2 GLN 72 HG2 GLN 72 -41.521 21.109 18.752 551 HG3 GLN 72 HG3 GLN 72 -40.483 19.721 18.399 552 HE21 GLN 72 HE21 GLN 72 -40.378 22.856 20.149 553 HE22 GLN 72 HE22 GLN 72 -38.973 22.359 21.096 554 H THR 73 H THR 73 -40.808 23.987 15.510 555 HA THR 73 HA THR 73 -38.824 23.894 13.388 556 HB THR 73 HB THR 73 -39.700 25.796 12.332 557 HG1 THR 73 HG1 THR 73 -41.309 26.882 13.307 558 HG21 THR 73 HG21 THR 73 -41.891 24.688 11.734 559 HG22 THR 73 HG22 THR 73 -41.985 23.897 13.369 560 HG23 THR 73 HG23 THR 73 -40.661 23.585 12.181 561 H MET 74 H MET 74 -37.964 26.349 12.878 562 HA MET 74 HA MET 74 -35.989 26.950 14.900 563 HB2 MET 74 HB2 MET 74 -36.337 27.665 12.105 564 HB3 MET 74 HB3 MET 74 -36.371 29.143 13.000 565 HG2 MET 74 HG2 MET 74 -34.098 28.685 12.381 566 HG3 MET 74 HG3 MET 74 -34.278 28.631 14.110 567 HE1 MET 74 HE1 MET 74 -32.351 25.562 11.476 568 HE2 MET 74 HE2 MET 74 -32.447 27.322 11.368 569 HE3 MET 74 HE3 MET 74 -33.835 26.330 10.857 570 H GLY 75 H GLY 75 -39.172 28.439 13.899 571 HA2 GLY 75 HA2 GLY 75 -38.841 30.444 15.941 572 HA3 GLY 75 HA3 GLY 75 -40.194 30.302 14.972 573 H GLY 76 H GLY 76 -39.447 27.270 16.164 574 HA2 GLY 76 HA2 GLY 76 -40.020 26.147 18.026 575 HA3 GLY 76 HA3 GLY 76 -40.725 27.449 18.843 576 H LYS 77 H LYS 77 -42.031 26.859 15.545 577 HA LYS 77 HA LYS 77 -44.595 26.022 16.696 578 HB2 LYS 77 HB2 LYS 77 -44.412 27.136 14.633 579 HB3 LYS 77 HB3 LYS 77 -43.343 25.897 13.950 580 HG2 LYS 77 HG2 LYS 77 -45.412 24.345 14.097 581 HG3 LYS 77 HG3 LYS 77 -46.343 25.817 14.377 582 HD2 LYS 77 HD2 LYS 77 -44.468 26.104 12.093 583 HD3 LYS 77 HD3 LYS 77 -45.476 24.683 11.934 584 HE2 LYS 77 HE2 LYS 77 -46.541 26.463 10.792 585 HE3 LYS 77 HE3 LYS 77 -47.509 26.091 12.225 586 HZ1 LYS 77 HZ1 LYS 77 -45.481 28.281 12.142 587 HZ2 LYS 77 HZ2 LYS 77 -46.526 28.038 13.308 588 HZ3 LYS 77 HZ3 LYS 77 -47.078 28.544 11.829 589 H THR 78 H THR 78 -45.539 23.684 16.457 590 HA THR 78 HA THR 78 -43.459 21.596 16.025 591 HB THR 78 HB THR 78 -45.934 21.225 17.683 592 HG1 THR 78 HG1 THR 78 -44.657 22.479 18.890 593 HG21 THR 78 HG21 THR 78 -44.692 19.090 18.267 594 HG22 THR 78 HG22 THR 78 -43.350 19.659 17.245 595 HG23 THR 78 HG23 THR 78 -44.754 19.043 16.453 596 H PHE 79 H PHE 79 -43.819 20.584 14.147 597 HA PHE 79 HA PHE 79 -46.601 20.287 13.260 598 HB2 PHE 79 HB2 PHE 79 -45.876 20.618 10.868 599 HB3 PHE 79 HB3 PHE 79 -46.075 21.979 11.939 600 HD1 PHE 79 HD1 PHE 79 -42.884 20.063 12.155 601 HD2 PHE 79 HD2 PHE 79 -44.968 23.339 10.262 602 HE1 PHE 79 HE1 PHE 79 -40.752 20.896 11.202 603 HE2 PHE 79 HE2 PHE 79 -42.825 24.164 9.335 604 HZ PHE 79 HZ PHE 79 -40.734 22.926 9.764 605 H LYS 80 H LYS 80 -46.946 18.723 11.423 606 HA LYS 80 HA LYS 80 -45.875 16.129 12.437 607 HB2 LYS 80 HB2 LYS 80 -48.547 16.634 11.064 608 HB3 LYS 80 HB3 LYS 80 -47.907 15.093 11.621 609 HG2 LYS 80 HG2 LYS 80 -49.158 15.509 13.454 610 HG3 LYS 80 HG3 LYS 80 -47.748 16.437 13.969 611 HD2 LYS 80 HD2 LYS 80 -48.855 18.496 12.936 612 HD3 LYS 80 HD3 LYS 80 -50.303 17.511 12.711 613 HE2 LYS 80 HE2 LYS 80 -48.886 18.109 15.354 614 HE3 LYS 80 HE3 LYS 80 -50.374 18.877 14.789 615 HZ1 LYS 80 HZ1 LYS 80 -50.848 17.080 16.342 616 HZ2 LYS 80 HZ2 LYS 80 -50.065 15.990 15.400 617 HZ3 LYS 80 HZ3 LYS 80 -51.446 16.685 14.861 618 H ALA 81 H ALA 81 -44.247 15.668 11.265 619 HA ALA 81 HA ALA 81 -44.613 14.728 8.595 620 HB1 ALA 81 HB1 ALA 81 -42.538 15.853 7.696 621 HB2 ALA 81 HB2 ALA 81 -42.568 16.939 9.097 622 HB3 ALA 81 HB3 ALA 81 -43.909 16.929 7.922 623 H THR 82 H THR 82 -42.477 13.419 8.015 624 HA THR 82 HA THR 82 -41.538 12.139 10.382 625 HB THR 82 HB THR 82 -42.505 10.935 7.790 626 HG1 THR 82 HG1 THR 82 -43.935 11.548 9.365 627 HG21 THR 82 HG21 THR 82 -41.753 8.886 8.390 628 HG22 THR 82 HG22 THR 82 -41.328 9.373 10.134 629 HG23 THR 82 HG23 THR 82 -40.290 9.889 8.696 630 H VAL 83 H VAL 83 -39.407 12.625 10.656 631 HA VAL 83 HA VAL 83 -37.827 13.511 8.392 632 HB VAL 83 HB VAL 83 -36.789 12.786 11.082 633 HG11 VAL 83 HG11 VAL 83 -35.829 14.721 8.941 634 HG12 VAL 83 HG12 VAL 83 -35.039 13.209 9.417 635 HG13 VAL 83 HG13 VAL 83 -35.101 14.561 10.554 636 HG21 VAL 83 HG21 VAL 83 -37.029 15.263 11.617 637 HG22 VAL 83 HG22 VAL 83 -38.456 14.242 11.717 638 HG23 VAL 83 HG23 VAL 83 -38.239 15.297 10.330 639 H GLN 84 H GLN 84 -36.452 12.415 7.150 640 HA GLN 84 HA GLN 84 -36.061 9.483 7.671 641 HB2 GLN 84 HB2 GLN 84 -36.191 11.004 5.059 642 HB3 GLN 84 HB3 GLN 84 -35.707 9.310 5.212 643 HG2 GLN 84 HG2 GLN 84 -37.926 8.707 6.023 644 HG3 GLN 84 HG3 GLN 84 -38.401 10.403 6.163 645 HE21 GLN 84 HE21 GLN 84 -37.218 8.076 3.646 646 HE22 GLN 84 HE22 GLN 84 -37.963 8.995 2.345 647 H MET 85 H MET 85 -34.057 8.571 7.385 648 HA MET 85 HA MET 85 -31.697 10.384 7.162 649 HB2 MET 85 HB2 MET 85 -31.851 7.436 7.967 650 HB3 MET 85 HB3 MET 85 -30.380 8.343 7.649 651 HG2 MET 85 HG2 MET 85 -31.482 9.967 9.496 652 HG3 MET 85 HG3 MET 85 -32.227 8.463 9.986 653 HE1 MET 85 HE1 MET 85 -28.513 9.167 8.471 654 HE2 MET 85 HE2 MET 85 -27.632 9.303 9.995 655 HE3 MET 85 HE3 MET 85 -28.863 10.518 9.577 656 H GLU 86 H GLU 86 -30.955 10.519 4.986 657 HA GLU 86 HA GLU 86 -30.831 7.915 3.682 658 HB2 GLU 86 HB2 GLU 86 -31.190 10.768 2.801 659 HB3 GLU 86 HB3 GLU 86 -30.447 9.827 1.526 660 HG2 GLU 86 HG2 GLU 86 -32.570 8.193 1.828 661 HG3 GLU 86 HG3 GLU 86 -33.185 9.489 2.955 662 H GLY 87 H GLY 87 -28.656 7.305 4.637 663 HA2 GLY 87 HA2 GLY 87 -26.504 7.032 4.126 664 HA3 GLY 87 HA3 GLY 87 -26.581 8.599 3.243 665 H GLY 88 H GLY 88 -26.910 10.515 4.673 666 HA2 GLY 88 HA2 GLY 88 -26.148 10.438 7.381 667 HA3 GLY 88 HA3 GLY 88 -24.823 11.055 6.354 668 H LYS 89 H LYS 89 -28.306 11.323 6.029 669 HA LYS 89 HA LYS 89 -28.065 14.318 6.015 670 HB2 LYS 89 HB2 LYS 89 -27.881 13.281 3.691 671 HB3 LYS 89 HB3 LYS 89 -29.492 12.510 3.957 672 HG2 LYS 89 HG2 LYS 89 -30.305 15.058 4.070 673 HG3 LYS 89 HG3 LYS 89 -28.654 15.352 3.497 674 HD2 LYS 89 HD2 LYS 89 -29.952 15.023 1.473 675 HD3 LYS 89 HD3 LYS 89 -29.048 13.530 1.686 676 HE2 LYS 89 HE2 LYS 89 -31.555 12.737 2.655 677 HE3 LYS 89 HE3 LYS 89 -32.090 14.363 2.048 678 HZ1 LYS 89 HZ1 LYS 89 -30.771 12.336 0.365 679 HZ2 LYS 89 HZ2 LYS 89 -31.479 13.691 -0.195 680 HZ3 LYS 89 HZ3 LYS 89 -32.513 12.558 0.527 681 H LEU 90 H LEU 90 -29.896 15.181 7.301 682 HA LEU 90 HA LEU 90 -32.184 13.380 7.585 683 HB2 LEU 90 HB2 LEU 90 -31.645 15.978 9.099 684 HB3 LEU 90 HB3 LEU 90 -33.004 14.816 9.304 685 HG LEU 90 HG LEU 90 -30.023 14.343 9.882 686 HD11 LEU 90 HD11 LEU 90 -30.760 13.572 12.106 687 HD12 LEU 90 HD12 LEU 90 -31.372 15.237 11.793 688 HD13 LEU 90 HD13 LEU 90 -32.486 13.836 11.654 689 HD21 LEU 90 HD21 LEU 90 -30.498 11.954 10.539 690 HD22 LEU 90 HD22 LEU 90 -30.694 12.043 8.837 691 HD23 LEU 90 HD23 LEU 90 -32.175 12.090 9.860 692 H VAL 91 H VAL 91 -34.141 13.712 6.829 693 HA VAL 91 HA VAL 91 -34.471 16.221 5.203 694 HB VAL 91 HB VAL 91 -33.691 15.115 3.550 695 HG11 VAL 91 HG11 VAL 91 -33.930 12.576 3.207 696 HG12 VAL 91 HG12 VAL 91 -34.644 12.384 4.808 697 HG13 VAL 91 HG13 VAL 91 -32.960 13.120 4.756 698 HG21 VAL 91 HG21 VAL 91 -36.502 13.970 3.438 699 HG22 VAL 91 HG22 VAL 91 -35.215 14.153 2.082 700 HG23 VAL 91 HG23 VAL 91 -35.921 15.606 2.839 701 H VAL 92 H VAL 92 -36.713 16.831 4.745 702 HA VAL 92 HA VAL 92 -38.880 15.080 5.826 703 HB VAL 92 HB VAL 92 -40.089 17.206 6.632 704 HG11 VAL 92 HG11 VAL 92 -37.765 16.254 8.281 705 HG12 VAL 92 HG12 VAL 92 -39.265 15.338 8.016 706 HG13 VAL 92 HG13 VAL 92 -39.344 16.889 8.836 707 HG21 VAL 92 HG21 VAL 92 -38.810 19.042 7.477 708 HG22 VAL 92 HG22 VAL 92 -38.458 18.888 5.749 709 HG23 VAL 92 HG23 VAL 92 -37.287 18.308 6.958 710 H ASN 93 H ASN 93 -41.110 15.926 5.122 711 HA ASN 93 HA ASN 93 -41.151 17.160 2.516 712 HB2 ASN 93 HB2 ASN 93 -42.016 15.068 1.453 713 HB3 ASN 93 HB3 ASN 93 -40.201 15.401 1.649 714 HD21 ASN 93 HD21 ASN 93 -39.044 13.682 2.587 715 HD22 ASN 93 HD22 ASN 93 -39.783 12.291 3.314 716 H PHE 94 H PHE 94 -42.715 18.399 2.893 717 HA PHE 94 HA PHE 94 -45.351 17.255 3.712 718 HB2 PHE 94 HB2 PHE 94 -44.444 20.160 3.595 719 HB3 PHE 94 HB3 PHE 94 -46.066 19.633 3.953 720 HD1 PHE 94 HD1 PHE 94 -42.558 19.544 5.272 721 HD2 PHE 94 HD2 PHE 94 -46.759 19.195 6.156 722 HE1 PHE 94 HE1 PHE 94 -42.064 19.695 7.713 723 HE2 PHE 94 HE2 PHE 94 -46.263 19.326 8.572 724 HZ PHE 94 HZ PHE 94 -43.914 19.577 9.351 725 HA PRO 95 HA PRO 95 -46.478 18.053 -0.577 726 HB2 PRO 95 HB2 PRO 95 -48.818 19.666 0.462 727 HB3 PRO 95 HB3 PRO 95 -48.794 18.421 -0.827 728 HG2 PRO 95 HG2 PRO 95 -49.684 17.757 1.636 729 HG3 PRO 95 HG3 PRO 95 -48.548 16.655 0.784 730 HD2 PRO 95 HD2 PRO 95 -47.922 18.697 2.937 731 HD3 PRO 95 HD3 PRO 95 -47.361 17.002 2.793 732 H ASN 96 H ASN 96 -46.100 20.741 1.641 733 HA ASN 96 HA ASN 96 -45.504 22.569 -0.631 734 HB2 ASN 96 HB2 ASN 96 -46.104 24.369 0.810 735 HB3 ASN 96 HB3 ASN 96 -47.402 23.189 0.905 736 HD21 ASN 96 HD21 ASN 96 -45.855 25.295 2.817 737 HD22 ASN 96 HD22 ASN 96 -45.845 24.358 4.307 738 H TYR 97 H TYR 97 -43.657 20.729 1.667 739 HA TYR 97 HA TYR 97 -41.552 22.689 1.527 740 HB2 TYR 97 HB2 TYR 97 -42.828 23.350 3.520 741 HB3 TYR 97 HB3 TYR 97 -42.822 21.616 4.171 742 HD1 TYR 97 HD1 TYR 97 -40.240 24.207 3.008 743 HD2 TYR 97 HD2 TYR 97 -41.246 21.275 6.000 744 HE1 TYR 97 HE1 TYR 97 -38.111 24.409 3.808 745 HE2 TYR 97 HE2 TYR 97 -39.190 21.610 6.967 746 HH TYR 97 HH TYR 97 -36.645 23.826 5.340 747 H HIS 98 H HIS 98 -39.504 22.005 1.973 748 HA HIS 98 HA HIS 98 -39.066 19.126 2.514 749 HB2 HIS 98 HB2 HIS 98 -39.374 19.496 0.004 750 HB3 HIS 98 HB3 HIS 98 -37.964 20.546 0.050 751 HD1 HIS 98 HD1 HIS 98 -38.868 16.859 0.733 752 HD2 HIS 98 HD2 HIS 98 -35.590 19.372 -0.098 753 HE1 HIS 98 HE1 HIS 98 -36.857 15.291 0.291 754 H GLN 99 H GLN 99 -36.824 18.670 3.071 755 HA GLN 99 HA GLN 99 -34.923 20.889 3.106 756 HB2 GLN 99 HB2 GLN 99 -36.254 21.237 5.161 757 HB3 GLN 99 HB3 GLN 99 -35.848 19.639 5.730 758 HG2 GLN 99 HG2 GLN 99 -33.550 21.457 5.011 759 HG3 GLN 99 HG3 GLN 99 -34.548 21.946 6.374 760 HE21 GLN 99 HE21 GLN 99 -33.959 18.462 5.723 761 HE22 GLN 99 HE22 GLN 99 -32.845 18.303 7.047 762 H THR 100 H THR 100 -32.722 20.175 3.486 763 HA THR 100 HA THR 100 -32.193 17.221 3.781 764 HB THR 100 HB THR 100 -31.532 19.181 1.586 765 HG1 THR 100 HG1 THR 100 -31.456 17.265 0.412 766 HG21 THR 100 HG21 THR 100 -29.530 17.818 0.876 767 HG22 THR 100 HG22 THR 100 -29.525 17.103 2.503 768 HG23 THR 100 HG23 THR 100 -29.267 18.831 2.285 769 H SER 101 H SER 101 -30.643 17.058 5.392 770 HA SER 101 HA SER 101 -29.034 19.451 6.230 771 HB2 SER 101 HB2 SER 101 -31.199 18.051 7.617 772 HB3 SER 101 HB3 SER 101 -29.716 17.847 8.502 773 HG SER 101 HG SER 101 -31.147 20.189 7.963 774 H GLU 102 H GLU 102 -26.932 18.789 5.658 775 HA GLU 102 HA GLU 102 -25.936 16.236 6.767 776 HB2 GLU 102 HB2 GLU 102 -25.015 15.549 4.577 777 HB3 GLU 102 HB3 GLU 102 -26.746 15.454 4.785 778 HG2 GLU 102 HG2 GLU 102 -26.976 17.602 3.458 779 HG3 GLU 102 HG3 GLU 102 -25.252 17.461 3.086 780 H ILE 103 H ILE 103 -23.578 15.879 6.042 781 HA ILE 103 HA ILE 103 -22.037 18.296 6.918 782 HB ILE 103 HB ILE 103 -21.390 15.340 7.286 783 HG12 ILE 103 HG12 ILE 103 -23.145 15.952 8.817 784 HG13 ILE 103 HG13 ILE 103 -21.643 15.702 9.684 785 HG21 ILE 103 HG21 ILE 103 -19.809 17.770 8.228 786 HG22 ILE 103 HG22 ILE 103 -19.297 16.561 7.039 787 HG23 ILE 103 HG23 ILE 103 -19.511 16.101 8.722 788 HD11 ILE 103 HD11 ILE 103 -22.842 17.582 10.640 789 HD12 ILE 103 HD12 ILE 103 -22.898 18.414 9.077 790 HD13 ILE 103 HD13 ILE 103 -21.345 18.166 9.924 791 H VAL 104 H VAL 104 -20.376 19.037 5.601 792 HA VAL 104 HA VAL 104 -19.469 17.292 3.382 793 HB VAL 104 HB VAL 104 -20.085 20.318 3.062 794 HG11 VAL 104 HG11 VAL 104 -19.576 19.717 0.601 795 HG12 VAL 104 HG12 VAL 104 -19.306 18.097 1.113 796 HG13 VAL 104 HG13 VAL 104 -18.150 19.409 1.629 797 HG21 VAL 104 HG21 VAL 104 -21.898 18.009 2.114 798 HG22 VAL 104 HG22 VAL 104 -21.956 19.704 1.529 799 HG23 VAL 104 HG23 VAL 104 -22.157 19.341 3.357 800 H GLY 105 H GLY 105 -17.323 17.073 3.680 801 HA2 GLY 105 HA2 GLY 105 -15.498 17.240 4.700 802 HA3 GLY 105 HA3 GLY 105 -15.493 19.047 4.509 803 H ASP 106 H ASP 106 -15.150 19.992 6.304 804 HA ASP 106 HA ASP 106 -15.881 18.928 8.976 805 HB2 ASP 106 HB2 ASP 106 -13.867 20.972 8.066 806 HB3 ASP 106 HB3 ASP 106 -14.537 21.099 9.679 807 H LYS 107 H LYS 107 -17.375 20.603 6.702 808 HA LYS 107 HA LYS 107 -18.753 22.590 8.454 809 HB2 LYS 107 HB2 LYS 107 -18.491 22.503 5.416 810 HB3 LYS 107 HB3 LYS 107 -19.453 23.665 6.328 811 HG2 LYS 107 HG2 LYS 107 -17.381 24.490 7.456 812 HG3 LYS 107 HG3 LYS 107 -16.416 23.396 6.439 813 HD2 LYS 107 HD2 LYS 107 -17.301 24.496 4.401 814 HD3 LYS 107 HD3 LYS 107 -18.306 25.546 5.414 815 HE2 LYS 107 HE2 LYS 107 -16.233 26.470 6.469 816 HE3 LYS 107 HE3 LYS 107 -15.269 25.514 5.336 817 HZ1 LYS 107 HZ1 LYS 107 -17.238 27.617 4.574 818 HZ2 LYS 107 HZ2 LYS 107 -16.360 26.729 3.513 819 HZ3 LYS 107 HZ3 LYS 107 -15.611 27.786 4.521 820 H LEU 108 H LEU 108 -20.897 22.960 7.913 821 HA LEU 108 HA LEU 108 -22.552 20.477 7.736 822 HB2 LEU 108 HB2 LEU 108 -22.668 23.163 9.213 823 HB3 LEU 108 HB3 LEU 108 -23.944 22.018 9.225 824 HG LEU 108 HG LEU 108 -22.813 20.515 10.659 825 HD11 LEU 108 HD11 LEU 108 -20.546 20.855 11.572 826 HD12 LEU 108 HD12 LEU 108 -20.248 22.118 10.361 827 HD13 LEU 108 HD13 LEU 108 -20.521 20.424 9.870 828 HD21 LEU 108 HD21 LEU 108 -22.429 21.891 12.592 829 HD22 LEU 108 HD22 LEU 108 -23.645 22.733 11.631 830 HD23 LEU 108 HD23 LEU 108 -21.975 23.296 11.592 831 H VAL 109 H VAL 109 -23.989 20.556 5.806 832 HA VAL 109 HA VAL 109 -24.764 23.212 4.865 833 HB VAL 109 HB VAL 109 -23.810 20.938 3.126 834 HG11 VAL 109 HG11 VAL 109 -25.639 22.663 2.016 835 HG12 VAL 109 HG12 VAL 109 -23.988 22.867 1.317 836 HG13 VAL 109 HG13 VAL 109 -24.454 23.963 2.576 837 HG21 VAL 109 HG21 VAL 109 -22.254 23.503 4.047 838 HG22 VAL 109 HG22 VAL 109 -22.027 22.708 2.439 839 HG23 VAL 109 HG23 VAL 109 -21.862 21.700 3.867 840 H GLU 110 H GLU 110 -26.734 23.447 5.122 841 HA GLU 110 HA GLU 110 -28.658 21.226 4.720 842 HB2 GLU 110 HB2 GLU 110 -28.780 22.468 6.794 843 HB3 GLU 110 HB3 GLU 110 -28.927 23.988 5.947 844 HG2 GLU 110 HG2 GLU 110 -31.064 21.838 5.723 845 HG3 GLU 110 HG3 GLU 110 -30.899 22.768 7.182 846 H VAL 111 H VAL 111 -30.611 21.688 3.218 847 HA VAL 111 HA VAL 111 -30.417 24.118 1.755 848 HB VAL 111 HB VAL 111 -28.940 22.656 0.209 849 HG11 VAL 111 HG11 VAL 111 -31.453 20.961 -0.211 850 HG12 VAL 111 HG12 VAL 111 -29.976 20.499 0.797 851 HG13 VAL 111 HG13 VAL 111 -29.823 20.773 -1.008 852 HG21 VAL 111 HG21 VAL 111 -30.337 24.534 -0.765 853 HG22 VAL 111 HG22 VAL 111 -31.600 23.291 -1.049 854 HG23 VAL 111 HG23 VAL 111 -30.010 23.266 -1.969 855 H SER 112 H SER 112 -32.621 24.529 1.008 856 HA SER 112 HA SER 112 -34.626 22.698 2.330 857 HB2 SER 112 HB2 SER 112 -33.168 24.584 3.600 858 HB3 SER 112 HB3 SER 112 -34.423 25.610 2.996 859 HG SER 112 HG SER 112 -34.346 23.988 5.051 860 H THR 113 H THR 113 -36.951 23.064 1.553 861 HA THR 113 HA THR 113 -37.104 25.153 -0.550 862 HB THR 113 HB THR 113 -38.072 22.292 -1.159 863 HG1 THR 113 HG1 THR 113 -35.519 23.313 -1.716 864 HG21 THR 113 HG21 THR 113 -38.922 24.269 -2.557 865 HG22 THR 113 HG22 THR 113 -37.767 23.273 -3.587 866 HG23 THR 113 HG23 THR 113 -37.165 24.771 -2.923 867 H ILE 114 H ILE 114 -38.973 26.208 -0.490 868 HA ILE 114 HA ILE 114 -41.352 24.845 0.672 869 HB ILE 114 HB ILE 114 -41.073 27.813 0.864 870 HG12 ILE 114 HG12 ILE 114 -40.453 26.403 3.400 871 HG13 ILE 114 HG13 ILE 114 -39.147 26.443 2.239 872 HG21 ILE 114 HG21 ILE 114 -43.278 26.822 1.189 873 HG22 ILE 114 HG22 ILE 114 -42.698 27.533 2.700 874 HG23 ILE 114 HG23 ILE 114 -42.647 25.772 2.478 875 HD11 ILE 114 HD11 ILE 114 -39.018 28.408 3.631 876 HD12 ILE 114 HD12 ILE 114 -40.680 28.842 3.229 877 HD13 ILE 114 HD13 ILE 114 -39.417 28.906 1.978 878 H GLY 115 H GLY 115 -42.848 24.742 -0.755 879 HA2 GLY 115 HA2 GLY 115 -44.042 24.912 -2.833 880 HA3 GLY 115 HA3 GLY 115 -43.873 26.666 -2.438 881 H GLY 116 H GLY 116 -41.277 24.488 -3.339 882 HA2 GLY 116 HA2 GLY 116 -40.095 24.498 -5.374 883 HA3 GLY 116 HA3 GLY 116 -40.918 25.835 -5.982 884 H VAL 117 H VAL 117 -40.055 27.098 -3.071 885 HA VAL 117 HA VAL 117 -37.784 28.432 -4.304 886 HB VAL 117 HB VAL 117 -39.916 29.523 -3.509 887 HG11 VAL 117 HG11 VAL 117 -39.730 28.847 -1.014 888 HG12 VAL 117 HG12 VAL 117 -39.800 30.655 -1.383 889 HG13 VAL 117 HG13 VAL 117 -38.348 30.001 -0.913 890 HG21 VAL 117 HG21 VAL 117 -37.128 30.692 -3.414 891 HG22 VAL 117 HG22 VAL 117 -38.644 31.719 -3.406 892 HG23 VAL 117 HG23 VAL 117 -38.220 30.548 -4.776 893 H THR 118 H THR 118 -35.815 28.735 -3.260 894 HA THR 118 HA THR 118 -35.301 26.554 -1.359 895 HB THR 118 HB THR 118 -33.422 27.581 -3.463 896 HG1 THR 118 HG1 THR 118 -35.114 26.691 -4.513 897 HG21 THR 118 HG21 THR 118 -32.345 25.362 -3.238 898 HG22 THR 118 HG22 THR 118 -33.374 25.003 -1.843 899 HG23 THR 118 HG23 THR 118 -32.190 26.331 -1.777 900 H TYR 119 H TYR 119 -33.854 26.675 0.351 901 HA TYR 119 HA TYR 119 -32.347 29.236 0.892 902 HB2 TYR 119 HB2 TYR 119 -34.145 28.105 2.612 903 HB3 TYR 119 HB3 TYR 119 -32.806 27.054 2.966 904 HD1 TYR 119 HD1 TYR 119 -30.926 29.868 2.579 905 HD2 TYR 119 HD2 TYR 119 -34.036 28.335 5.112 906 HE1 TYR 119 HE1 TYR 119 -30.352 31.536 4.339 907 HE2 TYR 119 HE2 TYR 119 -33.462 30.045 6.847 908 HH TYR 119 HH TYR 119 -31.725 31.564 7.531 909 H GLU 120 H GLU 120 -30.078 28.720 1.043 910 HA GLU 120 HA GLU 120 -29.274 25.915 1.473 911 HB2 GLU 120 HB2 GLU 120 -29.017 26.553 -0.988 912 HB3 GLU 120 HB3 GLU 120 -27.974 27.920 -0.486 913 HG2 GLU 120 HG2 GLU 120 -26.256 26.183 0.560 914 HG3 GLU 120 HG3 GLU 120 -27.319 24.984 -0.279 915 H ARG 121 H ARG 121 -27.739 25.693 3.079 916 HA ARG 121 HA ARG 121 -26.741 28.306 4.200 917 HB2 ARG 121 HB2 ARG 121 -28.433 26.247 5.646 918 HB3 ARG 121 HB3 ARG 121 -27.432 27.464 6.464 919 HG2 ARG 121 HG2 ARG 121 -28.625 29.275 5.268 920 HG3 ARG 121 HG3 ARG 121 -29.738 28.064 4.588 921 HD2 ARG 121 HD2 ARG 121 -29.199 28.357 7.577 922 HD3 ARG 121 HD3 ARG 121 -30.454 29.248 6.737 923 HE ARG 121 HE ARG 121 -30.763 26.475 6.100 924 HH11 ARG 121 HH11 ARG 121 -31.360 28.738 8.703 925 HH12 ARG 121 HH12 ARG 121 -32.727 27.837 9.284 926 HH21 ARG 121 HH21 ARG 121 -32.477 25.395 6.855 927 HH22 ARG 121 HH22 ARG 121 -33.271 25.867 8.335 928 H VAL 122 H VAL 122 -25.010 28.220 5.770 929 HA VAL 122 HA VAL 122 -23.713 25.597 5.906 930 HB VAL 122 HB VAL 122 -22.039 28.096 5.198 931 HG11 VAL 122 HG11 VAL 122 -20.739 26.124 6.380 932 HG12 VAL 122 HG12 VAL 122 -20.134 26.514 4.696 933 HG13 VAL 122 HG13 VAL 122 -21.201 25.156 4.978 934 HG21 VAL 122 HG21 VAL 122 -22.391 25.878 3.201 935 HG22 VAL 122 HG22 VAL 122 -21.834 27.525 2.890 936 HG23 VAL 122 HG23 VAL 122 -23.582 27.236 3.177 937 H SER 123 H SER 123 -22.099 25.449 7.659 938 HA SER 123 HA SER 123 -21.760 27.492 9.536 939 HB2 SER 123 HB2 SER 123 -23.977 26.967 10.362 940 HB3 SER 123 HB3 SER 123 -23.617 25.137 10.141 941 HG SER 123 HG SER 123 -23.677 25.996 12.464 942 H LYS 124 H LYS 124 -20.204 27.004 11.080 943 HA LYS 124 HA LYS 124 -18.392 24.837 10.014 944 HB2 LYS 124 HB2 LYS 124 -16.550 26.360 10.268 945 HB3 LYS 124 HB3 LYS 124 -17.920 27.302 9.577 946 HG2 LYS 124 HG2 LYS 124 -18.533 27.987 12.040 947 HG3 LYS 124 HG3 LYS 124 -16.982 27.348 12.418 948 HD2 LYS 124 HD2 LYS 124 -16.525 29.662 11.968 949 HD3 LYS 124 HD3 LYS 124 -15.997 28.911 10.416 950 HE2 LYS 124 HE2 LYS 124 -17.234 30.973 9.775 951 HE3 LYS 124 HE3 LYS 124 -18.401 29.638 9.454 952 HZ1 LYS 124 HZ1 LYS 124 -18.278 30.991 12.031 953 HZ2 LYS 124 HZ2 LYS 124 -19.397 30.032 11.494 954 HZ3 LYS 124 HZ3 LYS 124 -19.303 31.571 10.811 955 H ARG 125 H ARG 125 -17.179 23.469 11.582 956 HA ARG 125 HA ARG 125 -18.271 23.654 14.306 957 HB2 ARG 125 HB2 ARG 125 -17.309 21.664 14.865 958 HB3 ARG 125 HB3 ARG 125 -17.871 21.461 13.212 959 HG2 ARG 125 HG2 ARG 125 -15.729 21.240 12.338 960 HG3 ARG 125 HG3 ARG 125 -14.955 22.124 13.658 961 HD2 ARG 125 HD2 ARG 125 -15.394 20.319 15.241 962 HD3 ARG 125 HD3 ARG 125 -16.230 19.385 13.998 963 HE ARG 125 HE ARG 125 -13.310 19.867 14.246 964 HH11 ARG 125 HH11 ARG 125 -15.847 18.481 12.229 965 HH12 ARG 125 HH12 ARG 125 -14.635 17.889 11.107 966 HH21 ARG 125 HH21 ARG 125 -11.947 19.097 12.574 967 HH22 ARG 125 HH22 ARG 125 -12.673 18.247 11.283 968 H LEU 126 H LEU 126 -17.479 24.231 16.190 969 HA LEU 126 HA LEU 126 -14.551 24.364 16.499 970 HB2 LEU 126 HB2 LEU 126 -14.503 26.405 17.666 971 HB3 LEU 126 HB3 LEU 126 -15.152 26.639 16.071 972 HG LEU 126 HG LEU 126 -16.175 28.133 17.577 973 HD11 LEU 126 HD11 LEU 126 -18.525 27.756 17.259 974 HD12 LEU 126 HD12 LEU 126 -18.264 26.035 16.965 975 HD13 LEU 126 HD13 LEU 126 -17.644 27.239 15.811 976 HD21 LEU 126 HD21 LEU 126 -15.909 26.872 19.690 977 HD22 LEU 126 HD22 LEU 126 -17.301 25.867 19.235 978 HD23 LEU 126 HD23 LEU 126 -17.501 27.622 19.482 979 H ALA 127 H ALA 127 -16.661 22.434 17.062 980 HA ALA 127 HA ALA 127 -17.273 22.397 19.817 981 HB1 ALA 127 HB1 ALA 127 -18.505 21.163 18.037 982 HB2 ALA 127 HB2 ALA 127 -18.023 20.098 19.379 983 HB3 ALA 127 HB3 ALA 127 -17.137 20.058 17.841 984 H12 GCH 201 H12 GCH 128 -27.378 16.804 11.655 985 H1 GCH 201 H1 GCH 128 -29.975 17.238 10.777 986 H10 GCH 201 H10 GCH 128 -27.567 17.733 9.404 987 H11 GCH 201 H11 GCH 128 -28.456 19.137 9.945 988 H9 GCH 201 H9 GCH 128 -25.695 18.434 11.165 989 H4 GCH 201 H4 GCH 128 -27.707 19.874 13.836 990 H5 GCH 201 H5 GCH 128 -26.697 18.503 13.448 991 H2 GCH 201 H2 GCH 128 -29.410 18.958 12.183 992 H3 GCH 201 H3 GCH 128 -28.975 17.792 13.433 993 H6 GCH 201 H6 GCH 128 -24.742 19.511 12.931 994 H7 GCH 201 H7 GCH 128 -24.808 20.844 11.717 995 H8 GCH 201 H8 GCH 128 -25.386 21.013 13.451 996 H17 GCH 201 H17 GCH 128 -25.691 18.905 8.685 997 H18 GCH 201 H18 GCH 128 -24.766 19.921 9.667 998 H16 GCH 201 H16 GCH 128 -25.746 21.380 8.305 999 H13 GCH 201 H13 GCH 128 -28.362 20.255 8.629 1000 H15 GCH 201 H15 GCH 128 -25.662 22.143 10.370 1001 H14 GCH 201 H14 GCH 128 -28.486 21.044 10.993 1002 H41 GCH 201 H41 GCH 128 -28.270 21.937 13.300 1003 H42 GCH 201 H42 GCH 128 -26.685 22.581 12.984 1004 H40 GCH 201 H40 GCH 128 -27.936 24.368 12.967 1005 H35 GCH 201 H35 GCH 128 -28.614 22.903 9.440 1006 H33 GCH 201 H33 GCH 128 -27.033 23.334 7.625 1007 H34 GCH 201 H34 GCH 128 -25.922 24.090 8.765 1008 H31 GCH 201 H31 GCH 128 -28.521 25.224 7.728 1009 H32 GCH 201 H32 GCH 128 -27.029 26.069 8.219 1010 H30 GCH 201 H30 GCH 128 -29.342 25.033 9.991 1011 H29 GCH 201 H29 GCH 128 -29.198 27.284 9.834 1012 H19 GCH 201 H19 GCH 128 -26.372 27.542 10.846 1013 H20 GCH 201 H20 GCH 128 -26.917 27.842 9.083 1014 H21 GCH 201 H21 GCH 128 -27.586 28.814 10.278 1015 H27 GCH 201 H27 GCH 128 -29.764 26.409 12.078 1016 H28 GCH 201 H28 GCH 128 -28.007 26.413 12.587 1017 H25 GCH 201 H25 GCH 128 -28.778 28.161 13.738 1018 H26 GCH 201 H26 GCH 128 -28.290 29.055 12.306 1019 H24 GCH 201 H24 GCH 128 -29.718 29.955 10.908 1020 H22 GCH 201 H22 GCH 128 -31.505 31.447 11.520 1021 H23 GCH 201 H23 GCH 128 -32.635 30.036 11.237 1022 H36 GCH 201 H36 GCH 128 -25.351 23.991 10.871 1023 H37 GCH 201 H37 GCH 128 -25.729 25.656 10.502 1024 H38 GCH 201 H38 GCH 128 -26.128 25.060 12.197 1025 H39 GCH 201 H39 GCH 128 -29.938 22.944 11.697 1026 H11 CHO 202 H11 CHO 129 -35.623 18.286 8.697 1027 H12 CHO 202 H12 CHO 129 -35.528 16.807 9.662 1028 H21 CHO 202 H21 CHO 129 -33.332 17.231 8.926 1029 H22 CHO 202 H22 CHO 129 -33.343 18.948 9.285 1030 H3 CHO 202 H3 CHO 129 -33.302 16.546 11.185 1031 HO3 CHO 202 HO3 CHO 129 -31.996 19.051 11.212 1032 H41 CHO 202 H41 CHO 129 -33.594 17.891 13.078 1033 H42 CHO 202 H42 CHO 129 -33.501 19.406 12.135 1034 H5 CHO 202 H5 CHO 129 -35.734 17.288 12.158 1035 H61 CHO 202 H61 CHO 129 -37.088 18.792 13.245 1036 H62 CHO 202 H62 CHO 129 -35.584 18.665 14.161 1037 H7 CHO 202 H7 CHO 129 -36.697 20.879 13.800 1038 HO7 CHO 202 HO7 CHO 129 -34.882 21.860 14.001 1039 H8 CHO 202 H8 CHO 129 -37.423 21.038 11.733 1040 H9 CHO 202 H9 CHO 129 -34.577 20.481 10.546 1041 H111 CHO 202 H111 CHO 129 -35.713 20.221 8.280 1042 H112 CHO 202 H112 CHO 129 -37.290 20.332 8.917 1043 H121 CHO 202 H121 CHO 129 -36.926 22.379 8.127 1044 H122 CHO 202 H122 CHO 129 -35.165 22.591 8.656 1045 H14 CHO 202 H14 CHO 129 -34.804 22.488 11.132 1046 H151 CHO 202 H151 CHO 129 -37.026 23.198 12.969 1047 H152 CHO 202 H152 CHO 129 -35.331 23.735 12.984 1048 H161 CHO 202 H161 CHO 129 -36.010 25.655 11.967 1049 H162 CHO 202 H162 CHO 129 -37.684 25.060 11.806 1050 H17 CHO 202 H17 CHO 129 -35.244 24.500 10.025 1051 H181 CHO 202 H181 CHO 129 -38.424 21.632 9.961 1052 H182 CHO 202 H182 CHO 129 -38.763 22.939 11.071 1053 H183 CHO 202 H183 CHO 129 -38.677 23.123 9.173 1054 H191 CHO 202 H191 CHO 129 -37.932 18.280 9.715 1055 H192 CHO 202 H192 CHO 129 -37.581 17.424 11.200 1056 H193 CHO 202 H193 CHO 129 -38.037 19.207 11.268 1057 H20 CHO 202 H20 CHO 129 -37.136 24.764 8.203 1058 H211 CHO 202 H211 CHO 129 -36.662 27.351 8.200 1059 H212 CHO 202 H212 CHO 129 -35.940 27.058 9.788 1060 H213 CHO 202 H213 CHO 129 -35.420 26.196 8.191 1061 H221 CHO 202 H221 CHO 129 -38.891 25.076 10.430 1062 H222 CHO 202 H222 CHO 129 -39.149 25.524 8.738 1063 H231 CHO 202 H231 CHO 129 -38.324 27.298 11.052 1064 H232 CHO 202 H232 CHO 129 -38.681 27.977 9.293 1065 HN CHO 202 HN CHO 129 -40.270 29.050 11.601 1066 H261 CHO 202 H261 CHO 129 -42.765 29.262 11.039 1067 H262 CHO 202 H262 CHO 129 -42.817 27.529 11.205 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -22.786 11.496 12.301 2 H2 ALA 1 H2 ALA 1 -23.534 10.087 12.833 3 H3 ALA 1 H3 ALA 1 -22.103 10.746 13.594 4 HA ALA 1 HA ALA 1 -24.890 11.783 13.507 5 HB1 ALA 1 HB1 ALA 1 -24.541 10.307 15.423 6 HB2 ALA 1 HB2 ALA 1 -24.447 11.913 16.128 7 HB3 ALA 1 HB3 ALA 1 -22.896 11.061 15.682 8 H PHE 2 H PHE 2 -25.299 13.913 14.314 9 HA PHE 2 HA PHE 2 -23.381 15.804 13.149 10 HB2 PHE 2 HB2 PHE 2 -26.259 16.043 13.960 11 HB3 PHE 2 HB3 PHE 2 -25.282 17.385 13.405 12 HD1 PHE 2 HD1 PHE 2 -26.423 13.965 12.314 13 HD2 PHE 2 HD2 PHE 2 -25.083 17.889 11.139 14 HE1 PHE 2 HE1 PHE 2 -27.104 13.503 9.988 15 HE2 PHE 2 HE2 PHE 2 -25.895 17.462 8.845 16 HZ PHE 2 HZ PHE 2 -26.916 15.255 8.282 17 H THR 3 H THR 3 -23.902 14.844 16.335 18 HA THR 3 HA THR 3 -24.013 16.568 17.995 19 HB THR 3 HB THR 3 -21.804 14.531 18.109 20 HG1 THR 3 HG1 THR 3 -23.505 13.411 19.116 21 HG21 THR 3 HG21 THR 3 -21.657 16.271 20.167 22 HG22 THR 3 HG22 THR 3 -22.107 14.660 20.506 23 HG23 THR 3 HG23 THR 3 -23.414 15.871 20.459 24 H GLY 4 H GLY 4 -23.100 18.329 18.953 25 HA2 GLY 4 HA2 GLY 4 -20.794 19.346 19.510 26 HA3 GLY 4 HA3 GLY 4 -20.552 19.326 17.782 27 H LYS 5 H LYS 5 -19.980 21.494 18.843 28 HA LYS 5 HA LYS 5 -22.287 23.375 18.726 29 HB2 LYS 5 HB2 LYS 5 -20.383 23.252 20.617 30 HB3 LYS 5 HB3 LYS 5 -19.504 24.275 19.494 31 HG2 LYS 5 HG2 LYS 5 -22.096 24.787 20.951 32 HG3 LYS 5 HG3 LYS 5 -20.575 25.599 21.204 33 HD2 LYS 5 HD2 LYS 5 -22.180 25.890 18.655 34 HD3 LYS 5 HD3 LYS 5 -22.474 26.886 20.046 35 HE2 LYS 5 HE2 LYS 5 -19.786 26.733 18.625 36 HE3 LYS 5 HE3 LYS 5 -21.076 27.831 18.136 37 HZ1 LYS 5 HZ1 LYS 5 -19.733 27.852 20.772 38 HZ2 LYS 5 HZ2 LYS 5 -21.013 28.803 20.365 39 HZ3 LYS 5 HZ3 LYS 5 -19.597 28.981 19.573 40 H PHE 6 H PHE 6 -22.560 24.529 16.902 41 HA PHE 6 HA PHE 6 -20.258 25.173 15.117 42 HB2 PHE 6 HB2 PHE 6 -23.002 24.493 13.988 43 HB3 PHE 6 HB3 PHE 6 -21.524 24.757 13.134 44 HD1 PHE 6 HD1 PHE 6 -22.961 22.355 15.686 45 HD2 PHE 6 HD2 PHE 6 -20.597 22.884 12.116 46 HE1 PHE 6 HE1 PHE 6 -22.675 19.922 15.514 47 HE2 PHE 6 HE2 PHE 6 -20.368 20.428 11.910 48 HZ PHE 6 HZ PHE 6 -21.388 18.936 13.630 49 H GLU 7 H GLU 7 -20.872 26.861 13.571 50 HA GLU 7 HA GLU 7 -22.554 29.044 14.675 51 HB2 GLU 7 HB2 GLU 7 -20.567 29.058 15.927 52 HB3 GLU 7 HB3 GLU 7 -19.551 28.831 14.489 53 HG2 GLU 7 HG2 GLU 7 -20.117 31.138 13.764 54 HG3 GLU 7 HG3 GLU 7 -21.052 31.350 15.262 55 H MET 8 H MET 8 -23.604 29.914 13.039 56 HA MET 8 HA MET 8 -22.765 29.362 10.251 57 HB2 MET 8 HB2 MET 8 -25.114 28.779 11.074 58 HB3 MET 8 HB3 MET 8 -25.394 30.501 11.284 59 HG2 MET 8 HG2 MET 8 -24.718 30.803 8.837 60 HG3 MET 8 HG3 MET 8 -24.732 29.057 8.689 61 HE1 MET 8 HE1 MET 8 -28.350 31.910 9.089 62 HE2 MET 8 HE2 MET 8 -26.664 32.388 8.812 63 HE3 MET 8 HE3 MET 8 -27.178 31.784 10.408 64 H GLU 9 H GLU 9 -21.862 31.013 9.109 65 HA GLU 9 HA GLU 9 -22.885 33.769 9.671 66 HB2 GLU 9 HB2 GLU 9 -20.554 33.146 10.316 67 HB3 GLU 9 HB3 GLU 9 -20.052 33.333 8.648 68 HG2 GLU 9 HG2 GLU 9 -21.239 35.790 8.658 69 HG3 GLU 9 HG3 GLU 9 -21.621 35.368 10.384 70 H SER 10 H SER 10 -24.045 31.856 7.770 71 HA SER 10 HA SER 10 -23.707 33.577 5.408 72 HB2 SER 10 HB2 SER 10 -23.117 30.599 5.351 73 HB3 SER 10 HB3 SER 10 -23.673 31.495 3.927 74 HG SER 10 HG SER 10 -21.628 32.648 5.405 75 H GLU 11 H GLU 11 -25.678 34.195 4.767 76 HA GLU 11 HA GLU 11 -27.806 32.116 4.995 77 HB2 GLU 11 HB2 GLU 11 -29.020 34.647 4.958 78 HB3 GLU 11 HB3 GLU 11 -29.045 33.418 6.198 79 HG2 GLU 11 HG2 GLU 11 -28.527 35.434 7.259 80 HG3 GLU 11 HG3 GLU 11 -27.024 34.525 7.248 81 H LYS 12 H LYS 12 -29.184 31.919 3.190 82 HA LYS 12 HA LYS 12 -28.978 33.863 1.016 83 HB2 LYS 12 HB2 LYS 12 -27.330 32.273 0.445 84 HB3 LYS 12 HB3 LYS 12 -28.345 30.891 0.952 85 HG2 LYS 12 HG2 LYS 12 -28.300 30.873 -1.450 86 HG3 LYS 12 HG3 LYS 12 -29.905 31.186 -0.903 87 HD2 LYS 12 HD2 LYS 12 -29.268 33.755 -1.437 88 HD3 LYS 12 HD3 LYS 12 -27.802 33.187 -2.091 89 HE2 LYS 12 HE2 LYS 12 -30.404 32.390 -3.314 90 HE3 LYS 12 HE3 LYS 12 -29.524 33.673 -3.791 91 HZ1 LYS 12 HZ1 LYS 12 -28.486 31.974 -5.190 92 HZ2 LYS 12 HZ2 LYS 12 -28.777 30.816 -4.168 93 HZ3 LYS 12 HZ3 LYS 12 -27.456 31.801 -3.926 94 H ASN 13 H ASN 13 -31.074 34.463 0.343 95 HA ASN 13 HA ASN 13 -33.340 34.273 -0.249 96 HB2 ASN 13 HB2 ASN 13 -32.502 31.879 -1.240 97 HB3 ASN 13 HB3 ASN 13 -33.245 31.260 0.305 98 HD21 ASN 13 HD21 ASN 13 -35.080 30.216 -0.168 99 HD22 ASN 13 HD22 ASN 13 -36.354 30.920 -1.127 100 H TYR 14 H TYR 14 -32.008 34.231 2.519 101 HA TYR 14 HA TYR 14 -33.526 32.799 4.298 102 HB2 TYR 14 HB2 TYR 14 -32.540 34.040 6.150 103 HB3 TYR 14 HB3 TYR 14 -31.224 33.791 4.850 104 HD1 TYR 14 HD2 TYR 14 -30.650 35.761 3.472 105 HD2 TYR 14 HD1 TYR 14 -33.034 36.066 6.966 106 HE1 TYR 14 HE2 TYR 14 -30.303 38.301 3.610 107 HE2 TYR 14 HE1 TYR 14 -32.632 38.275 7.141 108 HH TYR 14 HH TYR 14 -30.793 40.228 4.698 109 H ASP 15 H ASP 15 -34.039 36.282 3.521 110 HA ASP 15 HA ASP 15 -36.240 36.745 5.184 111 HB2 ASP 15 HB2 ASP 15 -35.589 37.877 2.444 112 HB3 ASP 15 HB3 ASP 15 -36.890 38.473 3.476 113 H GLU 16 H GLU 16 -36.521 35.832 1.690 114 HA GLU 16 HA GLU 16 -39.330 35.325 1.980 115 HB2 GLU 16 HB2 GLU 16 -37.443 34.216 -0.129 116 HB3 GLU 16 HB3 GLU 16 -39.208 34.251 -0.214 117 HG2 GLU 16 HG2 GLU 16 -37.299 36.623 -0.232 118 HG3 GLU 16 HG3 GLU 16 -38.303 36.059 -1.554 119 H PHE 17 H PHE 17 -36.524 33.040 2.420 120 HA PHE 17 HA PHE 17 -38.313 30.804 2.541 121 HB2 PHE 17 HB2 PHE 17 -35.728 30.863 2.248 122 HB3 PHE 17 HB3 PHE 17 -35.640 30.945 4.008 123 HD1 PHE 17 HD1 PHE 17 -36.537 29.011 1.019 124 HD2 PHE 17 HD2 PHE 17 -36.397 28.906 5.328 125 HE1 PHE 17 HE1 PHE 17 -36.827 26.575 0.961 126 HE2 PHE 17 HE2 PHE 17 -36.776 26.451 5.266 127 HZ PHE 17 HZ PHE 17 -37.053 25.293 3.078 128 H MET 18 H MET 18 -36.976 32.953 5.181 129 HA MET 18 HA MET 18 -38.259 31.390 7.254 130 HB2 MET 18 HB2 MET 18 -37.158 34.225 7.326 131 HB3 MET 18 HB3 MET 18 -37.741 33.318 8.707 132 HG2 MET 18 HG2 MET 18 -35.254 32.804 7.093 133 HG3 MET 18 HG3 MET 18 -35.397 33.129 8.799 134 HE1 MET 18 HE1 MET 18 -33.380 31.160 8.424 135 HE2 MET 18 HE2 MET 18 -33.869 30.778 6.760 136 HE3 MET 18 HE3 MET 18 -33.776 29.489 7.977 137 H LYS 19 H LYS 19 -39.314 34.334 5.533 138 HA LYS 19 HA LYS 19 -41.697 34.718 7.023 139 HB2 LYS 19 HB2 LYS 19 -40.969 35.355 3.982 140 HB3 LYS 19 HB3 LYS 19 -42.505 35.868 4.815 141 HG2 LYS 19 HG2 LYS 19 -41.101 37.057 6.542 142 HG3 LYS 19 HG3 LYS 19 -39.653 36.780 5.637 143 HD2 LYS 19 HD2 LYS 19 -42.100 38.232 4.342 144 HD3 LYS 19 HD3 LYS 19 -40.784 39.024 5.193 145 HE2 LYS 19 HE2 LYS 19 -39.111 38.469 3.669 146 HE3 LYS 19 HE3 LYS 19 -39.791 37.016 3.106 147 HZ1 LYS 19 HZ1 LYS 19 -40.716 39.866 2.498 148 HZ2 LYS 19 HZ2 LYS 19 -41.681 38.514 2.196 149 HZ3 LYS 19 HZ3 LYS 19 -40.204 38.758 1.344 150 H LEU 20 H LEU 20 -41.141 32.870 4.043 151 HA LEU 20 HA LEU 20 -43.850 31.900 3.857 152 HB2 LEU 20 HB2 LEU 20 -41.259 30.584 2.879 153 HB3 LEU 20 HB3 LEU 20 -42.868 30.052 2.314 154 HG LEU 20 HG LEU 20 -41.961 32.912 2.055 155 HD11 LEU 20 HD11 LEU 20 -41.539 30.886 -0.306 156 HD12 LEU 20 HD12 LEU 20 -40.256 31.725 0.662 157 HD13 LEU 20 HD13 LEU 20 -41.363 32.674 -0.285 158 HD21 LEU 20 HD21 LEU 20 -44.517 32.277 1.745 159 HD22 LEU 20 HD22 LEU 20 -44.005 31.720 0.107 160 HD23 LEU 20 HD23 LEU 20 -43.639 33.400 0.611 161 H LEU 21 H LEU 21 -40.979 30.432 5.458 162 HA LEU 21 HA LEU 21 -42.658 28.168 6.071 163 HB2 LEU 21 HB2 LEU 21 -40.203 28.145 5.801 164 HB3 LEU 21 HB3 LEU 21 -40.063 28.834 7.432 165 HG LEU 21 HG LEU 21 -41.180 26.897 8.449 166 HD11 LEU 21 HD11 LEU 21 -42.933 26.192 6.952 167 HD12 LEU 21 HD12 LEU 21 -41.767 24.873 7.000 168 HD13 LEU 21 HD13 LEU 21 -41.790 25.982 5.608 169 HD21 LEU 21 HD21 LEU 21 -39.288 26.343 6.253 170 HD22 LEU 21 HD22 LEU 21 -39.595 25.168 7.628 171 HD23 LEU 21 HD23 LEU 21 -38.832 26.731 7.777 172 H GLY 22 H GLY 22 -42.326 31.284 7.664 173 HA2 GLY 22 HA2 GLY 22 -44.424 31.709 8.876 174 HA3 GLY 22 HA3 GLY 22 -44.024 30.149 9.717 175 H ILE 23 H ILE 23 -41.388 32.337 9.229 176 HA ILE 23 HA ILE 23 -41.753 33.249 12.039 177 HB ILE 23 HB ILE 23 -39.423 34.183 10.416 178 HG12 ILE 23 HG12 ILE 23 -39.857 31.285 11.356 179 HG13 ILE 23 HG13 ILE 23 -39.219 31.839 9.784 180 HG21 ILE 23 HG21 ILE 23 -40.078 35.125 12.724 181 HG22 ILE 23 HG22 ILE 23 -38.551 34.173 12.629 182 HG23 ILE 23 HG23 ILE 23 -40.079 33.524 13.336 183 HD11 ILE 23 HD11 ILE 23 -37.362 32.877 10.867 184 HD12 ILE 23 HD12 ILE 23 -37.419 30.996 11.011 185 HD13 ILE 23 HD13 ILE 23 -37.854 32.043 12.436 186 H SER 24 H SER 24 -42.897 34.967 12.371 187 HA SER 24 HA SER 24 -43.560 36.894 10.349 188 HB2 SER 24 HB2 SER 24 -43.769 37.280 13.365 189 HB3 SER 24 HB3 SER 24 -44.668 38.121 12.087 190 HG SER 24 HG SER 24 -45.962 36.484 12.898 191 H SER 25 H SER 25 -41.527 37.348 13.358 192 HA SER 25 HA SER 25 -39.548 38.904 11.868 193 HB2 SER 25 HB2 SER 25 -40.933 39.962 14.318 194 HB3 SER 25 HB3 SER 25 -39.632 40.802 13.329 195 HG SER 25 HG SER 25 -41.639 41.554 12.838 196 H ASP 26 H ASP 26 -40.458 36.992 14.760 197 HA ASP 26 HA ASP 26 -38.560 37.911 16.276 198 HB2 ASP 26 HB2 ASP 26 -40.740 36.314 16.694 199 HB3 ASP 26 HB3 ASP 26 -39.532 35.001 16.629 200 H VAL 27 H VAL 27 -37.932 34.797 14.277 201 HA VAL 27 HA VAL 27 -35.263 34.963 15.246 202 HB VAL 27 HB VAL 27 -36.184 33.158 13.053 203 HG11 VAL 27 HG11 VAL 27 -34.524 31.738 14.751 204 HG12 VAL 27 HG12 VAL 27 -33.815 33.335 15.077 205 HG13 VAL 27 HG13 VAL 27 -33.865 32.662 13.455 206 HG21 VAL 27 HG21 VAL 27 -37.936 32.984 14.740 207 HG22 VAL 27 HG22 VAL 27 -36.622 33.241 16.041 208 HG23 VAL 27 HG23 VAL 27 -36.941 31.671 15.152 209 H ILE 28 H ILE 28 -37.116 36.014 12.271 210 HA ILE 28 HA ILE 28 -34.968 36.109 10.532 211 HB ILE 28 HB ILE 28 -37.087 38.214 10.250 212 HG12 ILE 28 HG12 ILE 28 -37.402 35.322 9.761 213 HG13 ILE 28 HG13 ILE 28 -38.427 36.264 10.886 214 HG21 ILE 28 HG21 ILE 28 -36.595 37.997 7.942 215 HG22 ILE 28 HG22 ILE 28 -35.941 36.413 8.152 216 HG23 ILE 28 HG23 ILE 28 -34.944 37.835 8.581 217 HD11 ILE 28 HD11 ILE 28 -38.520 37.010 7.908 218 HD12 ILE 28 HD12 ILE 28 -39.651 37.402 9.170 219 HD13 ILE 28 HD13 ILE 28 -39.562 35.658 8.716 220 H GLU 29 H GLU 29 -36.147 38.408 12.852 221 HA GLU 29 HA GLU 29 -34.293 40.362 12.028 222 HB2 GLU 29 HB2 GLU 29 -34.920 41.752 13.873 223 HB3 GLU 29 HB3 GLU 29 -36.318 40.707 13.548 224 HG2 GLU 29 HG2 GLU 29 -35.622 39.090 15.401 225 HG3 GLU 29 HG3 GLU 29 -34.213 40.189 15.864 226 H LYS 30 H LYS 30 -33.766 37.540 13.809 227 HA LYS 30 HA LYS 30 -31.227 38.435 15.057 228 HB2 LYS 30 HB2 LYS 30 -32.367 35.612 14.867 229 HB3 LYS 30 HB3 LYS 30 -31.130 36.178 15.954 230 HG2 LYS 30 HG2 LYS 30 -34.077 36.921 15.993 231 HG3 LYS 30 HG3 LYS 30 -33.258 35.859 17.121 232 HD2 LYS 30 HD2 LYS 30 -31.884 37.807 17.889 233 HD3 LYS 30 HD3 LYS 30 -32.810 38.867 16.843 234 HE2 LYS 30 HE2 LYS 30 -33.786 37.293 19.244 235 HE3 LYS 30 HE3 LYS 30 -33.608 39.039 19.139 236 HZ1 LYS 30 HZ1 LYS 30 -35.477 39.200 17.810 237 HZ2 LYS 30 HZ2 LYS 30 -35.952 38.112 18.890 238 HZ3 LYS 30 HZ3 LYS 30 -35.533 37.606 17.396 239 H ALA 31 H ALA 31 -32.305 36.256 12.442 240 HA ALA 31 HA ALA 31 -29.971 35.433 11.343 241 HB1 ALA 31 HB1 ALA 31 -32.401 34.971 10.604 242 HB2 ALA 31 HB2 ALA 31 -31.200 35.112 9.311 243 HB3 ALA 31 HB3 ALA 31 -32.311 36.446 9.651 244 H ARG 32 H ARG 32 -31.650 38.359 10.206 245 HA ARG 32 HA ARG 32 -29.643 39.157 8.406 246 HB2 ARG 32 HB2 ARG 32 -30.867 41.195 8.131 247 HB3 ARG 32 HB3 ARG 32 -32.011 39.883 8.376 248 HG2 ARG 32 HG2 ARG 32 -32.110 40.606 10.849 249 HG3 ARG 32 HG3 ARG 32 -31.253 42.073 10.322 250 HD2 ARG 32 HD2 ARG 32 -33.070 42.447 8.624 251 HD3 ARG 32 HD3 ARG 32 -33.906 41.029 9.263 252 HE ARG 32 HE ARG 32 -33.219 43.363 11.019 253 HH11 ARG 32 HH11 ARG 32 -35.763 41.458 9.573 254 HH12 ARG 32 HH12 ARG 32 -36.993 42.075 10.636 255 HH21 ARG 32 HH21 ARG 32 -34.798 44.045 12.434 256 HH22 ARG 32 HH22 ARG 32 -36.414 43.455 12.297 257 H ASN 33 H ASN 33 -29.591 39.721 11.860 258 HA ASN 33 HA ASN 33 -27.633 41.998 11.519 259 HB2 ASN 33 HB2 ASN 33 -29.339 40.795 13.884 260 HB3 ASN 33 HB3 ASN 33 -27.951 41.797 14.279 261 HD21 ASN 33 HD21 ASN 33 -31.401 41.885 13.489 262 HD22 ASN 33 HD22 ASN 33 -31.417 43.603 13.455 263 H PHE 34 H PHE 34 -27.375 39.803 14.337 264 HA PHE 34 HA PHE 34 -24.740 38.996 13.745 265 HB2 PHE 34 HB2 PHE 34 -24.987 37.903 15.960 266 HB3 PHE 34 HB3 PHE 34 -25.003 39.660 15.852 267 HD1 PHE 34 HD1 PHE 34 -27.495 36.779 16.217 268 HD2 PHE 34 HD2 PHE 34 -26.478 40.970 16.853 269 HE1 PHE 34 HE1 PHE 34 -29.679 37.197 17.228 270 HE2 PHE 34 HE2 PHE 34 -28.622 41.287 18.068 271 HZ PHE 34 HZ PHE 34 -30.181 39.427 18.215 272 H LYS 35 H LYS 35 -27.627 37.197 12.919 273 HA LYS 35 HA LYS 35 -27.852 35.027 12.197 274 HB2 LYS 35 HB2 LYS 35 -24.809 34.810 12.104 275 HB3 LYS 35 HB3 LYS 35 -25.963 33.725 11.410 276 HG2 LYS 35 HG2 LYS 35 -25.413 34.850 9.550 277 HG3 LYS 35 HG3 LYS 35 -26.807 35.790 10.051 278 HD2 LYS 35 HD2 LYS 35 -25.073 37.400 11.177 279 HD3 LYS 35 HD3 LYS 35 -23.836 36.434 10.382 280 HE2 LYS 35 HE2 LYS 35 -24.233 38.302 8.952 281 HE3 LYS 35 HE3 LYS 35 -25.027 36.921 8.187 282 HZ1 LYS 35 HZ1 LYS 35 -27.066 37.766 9.515 283 HZ2 LYS 35 HZ2 LYS 35 -26.684 38.406 8.101 284 HZ3 LYS 35 HZ3 LYS 35 -26.290 39.213 9.514 285 H ILE 36 H ILE 36 -27.212 32.590 12.720 286 HA ILE 36 HA ILE 36 -27.475 32.423 15.585 287 HB ILE 36 HB ILE 36 -28.767 30.986 13.260 288 HG12 ILE 36 HG12 ILE 36 -29.974 32.950 13.640 289 HG13 ILE 36 HG13 ILE 36 -30.871 31.714 14.400 290 HG21 ILE 36 HG21 ILE 36 -30.001 29.729 15.191 291 HG22 ILE 36 HG22 ILE 36 -28.601 30.212 16.209 292 HG23 ILE 36 HG23 ILE 36 -28.312 29.177 14.883 293 HD11 ILE 36 HD11 ILE 36 -29.239 33.727 15.943 294 HD12 ILE 36 HD12 ILE 36 -29.751 32.128 16.595 295 HD13 ILE 36 HD13 ILE 36 -31.033 33.156 15.962 296 H VAL 37 H VAL 37 -26.599 30.920 16.788 297 HA VAL 37 HA VAL 37 -24.588 29.095 15.605 298 HB VAL 37 HB VAL 37 -23.186 29.109 17.381 299 HG11 VAL 37 HG11 VAL 37 -22.522 31.393 17.710 300 HG12 VAL 37 HG12 VAL 37 -24.172 31.987 17.439 301 HG13 VAL 37 HG13 VAL 37 -23.248 31.301 16.097 302 HG21 VAL 37 HG21 VAL 37 -23.621 30.140 19.577 303 HG22 VAL 37 HG22 VAL 37 -24.755 28.811 19.243 304 HG23 VAL 37 HG23 VAL 37 -25.276 30.510 19.060 305 H THR 38 H THR 38 -24.295 26.999 16.486 306 HA THR 38 HA THR 38 -26.935 25.720 16.739 307 HB THR 38 HB THR 38 -24.220 24.920 15.584 308 HG1 THR 38 HG1 THR 38 -26.438 25.820 14.121 309 HG21 THR 38 HG21 THR 38 -25.509 22.830 15.965 310 HG22 THR 38 HG22 THR 38 -25.506 23.161 14.193 311 HG23 THR 38 HG23 THR 38 -26.906 23.565 15.291 312 H GLU 39 H GLU 39 -27.158 23.917 18.164 313 HA GLU 39 HA GLU 39 -24.709 22.801 19.329 314 HB2 GLU 39 HB2 GLU 39 -27.147 23.627 20.929 315 HB3 GLU 39 HB3 GLU 39 -25.828 22.541 21.551 316 HG2 GLU 39 HG2 GLU 39 -24.239 24.495 20.900 317 HG3 GLU 39 HG3 GLU 39 -25.702 25.512 20.819 318 H VAL 40 H VAL 40 -24.759 20.708 19.142 319 HA VAL 40 HA VAL 40 -27.344 19.298 18.725 320 HB VAL 40 HB VAL 40 -24.696 18.523 17.508 321 HG11 VAL 40 HG11 VAL 40 -26.301 16.685 17.662 322 HG12 VAL 40 HG12 VAL 40 -26.152 17.208 15.991 323 HG13 VAL 40 HG13 VAL 40 -27.564 17.696 16.952 324 HG21 VAL 40 HG21 VAL 40 -25.061 20.622 16.565 325 HG22 VAL 40 HG22 VAL 40 -26.799 20.324 16.384 326 HG23 VAL 40 HG23 VAL 40 -25.595 19.442 15.386 327 H GLN 41 H GLN 41 -27.802 17.594 19.856 328 HA GLN 41 HA GLN 41 -25.637 15.876 20.867 329 HB2 GLN 41 HB2 GLN 41 -26.212 17.184 22.817 330 HB3 GLN 41 HB3 GLN 41 -27.928 16.852 22.614 331 HG2 GLN 41 HG2 GLN 41 -25.873 14.628 23.003 332 HG3 GLN 41 HG3 GLN 41 -26.567 15.491 24.368 333 HE21 GLN 41 HE21 GLN 41 -26.869 12.554 23.310 334 HE22 GLN 41 HE22 GLN 41 -28.603 12.373 23.360 335 H GLN 42 H GLN 42 -25.961 13.939 19.954 336 HA GLN 42 HA GLN 42 -28.690 13.053 19.203 337 HB2 GLN 42 HB2 GLN 42 -27.945 14.579 17.435 338 HB3 GLN 42 HB3 GLN 42 -26.399 13.731 17.310 339 HG2 GLN 42 HG2 GLN 42 -27.651 11.660 16.570 340 HG3 GLN 42 HG3 GLN 42 -29.135 12.615 16.568 341 HE21 GLN 42 HE21 GLN 42 -28.875 14.769 15.254 342 HE22 GLN 42 HE22 GLN 42 -27.869 14.709 13.825 343 H ASP 43 H ASP 43 -28.883 10.898 19.291 344 HA ASP 43 HA ASP 43 -26.473 9.175 19.206 345 HB2 ASP 43 HB2 ASP 43 -26.831 9.976 21.572 346 HB3 ASP 43 HB3 ASP 43 -28.398 9.166 21.563 347 H GLY 44 H GLY 44 -27.013 7.876 17.680 348 HA2 GLY 44 HA2 GLY 44 -28.041 6.434 16.334 349 HA3 GLY 44 HA3 GLY 44 -28.810 5.888 17.852 350 H GLN 45 H GLN 45 -31.191 6.479 17.940 351 HA GLN 45 HA GLN 45 -32.375 7.610 15.488 352 HB2 GLN 45 HB2 GLN 45 -32.798 5.155 16.544 353 HB3 GLN 45 HB3 GLN 45 -33.666 6.134 17.830 354 HG2 GLN 45 HG2 GLN 45 -35.179 6.983 15.783 355 HG3 GLN 45 HG3 GLN 45 -34.160 6.071 14.750 356 HE21 GLN 45 HE21 GLN 45 -35.757 4.703 14.004 357 HE22 GLN 45 HE22 GLN 45 -36.457 3.501 14.994 358 H ASP 46 H ASP 46 -31.531 8.537 18.708 359 HA ASP 46 HA ASP 46 -33.736 10.497 18.700 360 HB2 ASP 46 HB2 ASP 46 -32.313 9.319 21.016 361 HB3 ASP 46 HB3 ASP 46 -32.927 10.963 21.104 362 H PHE 47 H PHE 47 -33.589 12.459 18.419 363 HA PHE 47 HA PHE 47 -30.915 13.614 17.819 364 HB2 PHE 47 HB2 PHE 47 -33.540 13.783 16.326 365 HB3 PHE 47 HB3 PHE 47 -32.193 14.868 16.031 366 HD1 PHE 47 HD2 PHE 47 -32.899 11.198 16.237 367 HD2 PHE 47 HD1 PHE 47 -30.770 14.336 14.247 368 HE1 PHE 47 HE2 PHE 47 -31.793 9.515 14.780 369 HE2 PHE 47 HE1 PHE 47 -29.656 12.626 12.791 370 HZ PHE 47 HZ PHE 47 -30.165 10.225 13.074 371 H THR 48 H THR 48 -30.359 15.456 19.132 372 HA THR 48 HA THR 48 -32.517 17.265 19.366 373 HB THR 48 HB THR 48 -29.958 17.120 21.102 374 HG1 THR 48 HG1 THR 48 -31.499 15.763 21.877 375 HG21 THR 48 HG21 THR 48 -32.240 19.326 21.154 376 HG22 THR 48 HG22 THR 48 -30.514 19.514 20.875 377 HG23 THR 48 HG23 THR 48 -30.987 18.961 22.448 378 H TRP 49 H TRP 49 -32.544 18.840 18.153 379 HA TRP 49 HA TRP 49 -30.033 20.150 17.211 380 HB2 TRP 49 HB2 TRP 49 -31.415 19.500 15.404 381 HB3 TRP 49 HB3 TRP 49 -32.879 19.950 16.205 382 HD1 TRP 49 HD1 TRP 49 -32.183 23.102 16.749 383 HE1 TRP 49 HE1 TRP 49 -32.299 24.679 14.717 384 HE3 TRP 49 HE3 TRP 49 -31.916 19.686 12.977 385 HZ2 TRP 49 HZ2 TRP 49 -32.546 24.497 11.896 386 HZ3 TRP 49 HZ3 TRP 49 -32.127 20.431 10.599 387 HH2 TRP 49 HH2 TRP 49 -32.409 22.820 10.053 388 H SER 50 H SER 50 -29.472 21.929 18.573 389 HA SER 50 HA SER 50 -31.718 23.499 19.599 390 HB2 SER 50 HB2 SER 50 -29.167 22.724 21.093 391 HB3 SER 50 HB3 SER 50 -30.163 24.143 21.575 392 HG SER 50 HG SER 50 -30.695 22.202 22.735 393 H GLN 51 H GLN 51 -31.158 25.934 19.714 394 HA GLN 51 HA GLN 51 -28.733 26.654 18.500 395 HB2 GLN 51 HB2 GLN 51 -31.556 27.287 17.494 396 HB3 GLN 51 HB3 GLN 51 -30.164 28.323 17.124 397 HG2 GLN 51 HG2 GLN 51 -29.413 26.186 15.723 398 HG3 GLN 51 HG3 GLN 51 -30.819 25.334 16.467 399 HE21 GLN 51 HE21 GLN 51 -33.152 26.129 15.576 400 HE22 GLN 51 HE22 GLN 51 -33.022 27.045 14.109 401 H HIS 52 H HIS 52 -28.374 28.876 18.636 402 HA HIS 52 HA HIS 52 -29.907 30.312 20.722 403 HB2 HIS 52 HB2 HIS 52 -26.882 30.213 20.574 404 HB3 HIS 52 HB3 HIS 52 -27.827 31.162 21.712 405 HD1 HIS 52 HD1 HIS 52 -29.462 29.511 23.428 406 HD2 HIS 52 HD2 HIS 52 -26.170 27.829 21.386 407 HE1 HIS 52 HE1 HIS 52 -28.878 27.343 24.653 408 H TYR 53 H TYR 53 -30.549 32.150 20.223 409 HA TYR 53 HA TYR 53 -29.610 33.950 18.117 410 HB2 TYR 53 HB2 TYR 53 -30.823 34.694 20.799 411 HB3 TYR 53 HB3 TYR 53 -30.686 35.698 19.379 412 HD1 TYR 53 HD1 TYR 53 -32.081 32.759 17.998 413 HD2 TYR 53 HD2 TYR 53 -32.992 36.014 20.675 414 HE1 TYR 53 HE1 TYR 53 -34.518 32.464 17.573 415 HE2 TYR 53 HE2 TYR 53 -35.439 35.687 20.241 416 HH TYR 53 HH TYR 53 -37.048 34.617 18.683 417 H SER 54 H SER 54 -27.542 34.698 18.133 418 HA SER 54 HA SER 54 -25.813 34.893 20.395 419 HB2 SER 54 HB2 SER 54 -25.913 36.501 17.820 420 HB3 SER 54 HB3 SER 54 -24.577 36.528 18.986 421 HG SER 54 HG SER 54 -24.726 34.886 17.059 422 H GLY 55 H GLY 55 -25.845 36.265 22.101 423 HA2 GLY 55 HA2 GLY 55 -26.416 38.328 23.236 424 HA3 GLY 55 HA3 GLY 55 -27.702 38.608 22.078 425 H GLY 56 H GLY 56 -28.287 35.446 22.730 426 HA2 GLY 56 HA2 GLY 56 -28.626 34.295 24.804 427 HA3 GLY 56 HA3 GLY 56 -29.053 35.792 25.604 428 H HIS 57 H HIS 57 -30.269 33.683 22.980 429 HA HIS 57 HA HIS 57 -32.558 33.028 24.693 430 HB2 HIS 57 HB2 HIS 57 -33.024 34.930 22.721 431 HB3 HIS 57 HB3 HIS 57 -33.435 33.418 21.899 432 HD1 HIS 57 HD1 HIS 57 -36.009 33.255 21.938 433 HD2 HIS 57 HD2 HIS 57 -34.280 34.994 25.384 434 HE1 HIS 57 HE1 HIS 57 -37.969 33.937 23.458 435 H THR 58 H THR 58 -33.409 30.834 24.158 436 HA THR 58 HA THR 58 -31.681 29.353 22.357 437 HB THR 58 HB THR 58 -32.747 28.779 25.287 438 HG1 THR 58 HG1 THR 58 -31.280 29.641 25.602 439 HG21 THR 58 HG21 THR 58 -31.346 26.605 24.871 440 HG22 THR 58 HG22 THR 58 -31.325 26.861 23.151 441 HG23 THR 58 HG23 THR 58 -32.910 26.684 23.900 442 H MET 59 H MET 59 -32.648 27.904 21.015 443 HA MET 59 HA MET 59 -35.558 27.375 21.273 444 HB2 MET 59 HB2 MET 59 -35.835 27.560 18.829 445 HB3 MET 59 HB3 MET 59 -35.467 29.083 19.624 446 HG2 MET 59 HG2 MET 59 -32.983 28.577 18.918 447 HG3 MET 59 HG3 MET 59 -33.742 27.465 17.765 448 HE1 MET 59 HE1 MET 59 -32.339 29.154 15.866 449 HE2 MET 59 HE2 MET 59 -31.822 30.183 17.227 450 HE3 MET 59 HE3 MET 59 -32.637 30.892 15.816 451 H THR 60 H THR 60 -35.958 25.248 21.193 452 HA THR 60 HA THR 60 -33.773 23.474 20.435 453 HB THR 60 HB THR 60 -33.461 22.232 22.215 454 HG1 THR 60 HG1 THR 60 -35.966 23.070 23.140 455 HG21 THR 60 HG21 THR 60 -32.649 24.541 22.725 456 HG22 THR 60 HG22 THR 60 -33.029 23.583 24.171 457 HG23 THR 60 HG23 THR 60 -34.167 24.831 23.616 458 H ASN 61 H ASN 61 -34.170 21.716 19.498 459 HA ASN 61 HA ASN 61 -36.938 20.950 18.920 460 HB2 ASN 61 HB2 ASN 61 -34.717 20.933 16.795 461 HB3 ASN 61 HB3 ASN 61 -36.481 20.764 16.478 462 HD21 ASN 61 HD21 ASN 61 -34.929 22.374 15.004 463 HD22 ASN 61 HD22 ASN 61 -35.623 23.976 15.170 464 H LYS 62 H LYS 62 -37.005 19.141 20.152 465 HA LYS 62 HA LYS 62 -34.887 17.100 19.877 466 HB2 LYS 62 HB2 LYS 62 -36.972 17.631 22.047 467 HB3 LYS 62 HB3 LYS 62 -35.812 16.280 21.912 468 HG2 LYS 62 HG2 LYS 62 -33.898 17.785 21.954 469 HG3 LYS 62 HG3 LYS 62 -35.123 19.125 22.281 470 HD2 LYS 62 HD2 LYS 62 -35.475 18.658 24.307 471 HD3 LYS 62 HD3 LYS 62 -35.584 16.871 24.265 472 HE2 LYS 62 HE2 LYS 62 -33.028 18.649 24.370 473 HE3 LYS 62 HE3 LYS 62 -33.730 17.919 25.798 474 HZ1 LYS 62 HZ1 LYS 62 -32.611 16.472 23.402 475 HZ2 LYS 62 HZ2 LYS 62 -33.462 15.716 24.710 476 HZ3 LYS 62 HZ3 LYS 62 -31.980 16.635 24.883 477 H PHE 63 H PHE 63 -35.421 15.283 18.724 478 HA PHE 63 HA PHE 63 -38.080 14.315 18.842 479 HB2 PHE 63 HB2 PHE 63 -38.649 14.432 16.395 480 HB3 PHE 63 HB3 PHE 63 -38.151 15.975 17.131 481 HD1 PHE 63 HD1 PHE 63 -35.859 16.700 16.897 482 HD2 PHE 63 HD2 PHE 63 -37.376 13.391 14.721 483 HE1 PHE 63 HE1 PHE 63 -33.820 16.808 15.253 484 HE2 PHE 63 HE2 PHE 63 -35.569 13.520 13.062 485 HZ PHE 63 HZ PHE 63 -33.786 15.161 13.339 486 H THR 64 H THR 64 -38.208 12.374 17.205 487 HA THR 64 HA THR 64 -35.761 10.670 17.373 488 HB THR 64 HB THR 64 -38.650 9.818 17.464 489 HG1 THR 64 HG1 THR 64 -36.758 9.591 19.527 490 HG21 THR 64 HG21 THR 64 -36.164 8.115 17.724 491 HG22 THR 64 HG22 THR 64 -37.377 8.043 16.429 492 HG23 THR 64 HG23 THR 64 -37.805 7.576 18.084 493 H VAL 65 H VAL 65 -35.086 9.795 15.381 494 HA VAL 65 HA VAL 65 -36.466 10.767 12.990 495 HB VAL 65 HB VAL 65 -33.971 10.625 13.220 496 HG11 VAL 65 HG11 VAL 65 -33.832 8.251 13.939 497 HG12 VAL 65 HG12 VAL 65 -32.854 8.593 12.506 498 HG13 VAL 65 HG13 VAL 65 -34.401 7.731 12.338 499 HG21 VAL 65 HG21 VAL 65 -33.646 10.264 10.853 500 HG22 VAL 65 HG22 VAL 65 -35.113 11.194 11.128 501 HG23 VAL 65 HG23 VAL 65 -35.219 9.468 10.701 502 H GLY 66 H GLY 66 -37.579 9.622 11.367 503 HA2 GLY 66 HA2 GLY 66 -39.050 7.999 10.627 504 HA3 GLY 66 HA3 GLY 66 -38.362 6.839 11.765 505 H LYS 67 H LYS 67 -39.469 9.796 13.294 506 HA LYS 67 HA LYS 67 -41.908 8.661 14.254 507 HB2 LYS 67 HB2 LYS 67 -39.954 9.170 15.903 508 HB3 LYS 67 HB3 LYS 67 -40.303 10.828 15.552 509 HG2 LYS 67 HG2 LYS 67 -41.425 10.249 17.608 510 HG3 LYS 67 HG3 LYS 67 -42.775 10.218 16.405 511 HD2 LYS 67 HD2 LYS 67 -43.070 7.808 16.621 512 HD3 LYS 67 HD3 LYS 67 -41.298 7.714 16.625 513 HE2 LYS 67 HE2 LYS 67 -40.885 8.128 18.784 514 HE3 LYS 67 HE3 LYS 67 -42.434 8.681 19.240 515 HZ1 LYS 67 HZ1 LYS 67 -43.379 6.336 18.878 516 HZ2 LYS 67 HZ2 LYS 67 -42.035 6.255 19.837 517 HZ3 LYS 67 HZ3 LYS 67 -41.978 5.916 18.211 518 H GLU 68 H GLU 68 -43.737 9.878 14.324 519 HA GLU 68 HA GLU 68 -43.604 12.356 12.768 520 HB2 GLU 68 HB2 GLU 68 -45.113 10.311 11.978 521 HB3 GLU 68 HB3 GLU 68 -45.997 10.659 13.472 522 HG2 GLU 68 HG2 GLU 68 -46.640 12.848 12.709 523 HG3 GLU 68 HG3 GLU 68 -45.693 12.771 11.146 524 H SER 69 H SER 69 -44.660 14.037 13.304 525 HA SER 69 HA SER 69 -45.696 15.605 14.499 526 HB2 SER 69 HB2 SER 69 -47.492 15.068 15.905 527 HB3 SER 69 HB3 SER 69 -47.399 13.790 14.683 528 HG SER 69 HG SER 69 -46.087 12.652 16.353 529 H ASN 70 H ASN 70 -43.179 14.120 16.139 530 HA ASN 70 HA ASN 70 -43.350 16.171 18.300 531 HB2 ASN 70 HB2 ASN 70 -42.907 13.743 18.861 532 HB3 ASN 70 HB3 ASN 70 -41.335 13.920 18.056 533 HD21 ASN 70 HD21 ASN 70 -40.037 13.784 19.966 534 HD22 ASN 70 HD22 ASN 70 -40.227 14.958 21.258 535 H ILE 71 H ILE 71 -42.871 17.097 15.571 536 HA ILE 71 HA ILE 71 -39.961 17.822 15.584 537 HB ILE 71 HB ILE 71 -41.971 17.310 13.384 538 HG12 ILE 71 HG12 ILE 71 -40.068 16.098 12.368 539 HG13 ILE 71 HG13 ILE 71 -39.069 16.446 13.778 540 HG21 ILE 71 HG21 ILE 71 -40.406 18.270 11.726 541 HG22 ILE 71 HG22 ILE 71 -39.432 18.934 13.054 542 HG23 ILE 71 HG23 ILE 71 -41.082 19.491 12.787 543 HD11 ILE 71 HD11 ILE 71 -40.466 14.999 15.156 544 HD12 ILE 71 HD12 ILE 71 -40.058 14.124 13.683 545 HD13 ILE 71 HD13 ILE 71 -41.670 14.848 13.860 546 H GLN 72 H GLN 72 -39.349 19.972 15.713 547 HA GLN 72 HA GLN 72 -41.515 22.041 15.665 548 HB2 GLN 72 HB2 GLN 72 -38.962 22.164 17.312 549 HB3 GLN 72 HB3 GLN 72 -40.322 23.271 17.328 550 HG2 GLN 72 HG2 GLN 72 -40.587 21.995 19.286 551 HG3 GLN 72 HG3 GLN 72 -41.778 21.347 18.162 552 HE21 GLN 72 HE21 GLN 72 -41.843 19.205 19.175 553 HE22 GLN 72 HE22 GLN 72 -40.445 18.146 18.958 554 H THR 73 H THR 73 -41.109 24.013 14.575 555 HA THR 73 HA THR 73 -39.054 24.395 12.755 556 HB THR 73 HB THR 73 -40.136 26.352 12.195 557 HG1 THR 73 HG1 THR 73 -42.013 26.863 13.289 558 HG21 THR 73 HG21 THR 73 -41.102 24.349 11.086 559 HG22 THR 73 HG22 THR 73 -42.297 25.422 11.521 560 HG23 THR 73 HG23 THR 73 -42.077 24.009 12.653 561 H MET 74 H MET 74 -38.511 26.973 12.629 562 HA MET 74 HA MET 74 -36.335 27.308 14.484 563 HB2 MET 74 HB2 MET 74 -36.876 28.445 12.070 564 HB3 MET 74 HB3 MET 74 -37.537 29.697 13.029 565 HG2 MET 74 HG2 MET 74 -35.339 30.379 12.810 566 HG3 MET 74 HG3 MET 74 -35.333 29.602 14.390 567 HE1 MET 74 HE1 MET 74 -33.262 30.155 11.530 568 HE2 MET 74 HE2 MET 74 -32.935 28.610 10.702 569 HE3 MET 74 HE3 MET 74 -34.561 29.343 10.636 570 H GLY 75 H GLY 75 -39.497 28.884 14.157 571 HA2 GLY 75 HA2 GLY 75 -39.264 30.840 16.273 572 HA3 GLY 75 HA3 GLY 75 -40.636 30.288 15.310 573 H GLY 76 H GLY 76 -39.794 27.442 15.965 574 HA2 GLY 76 HA2 GLY 76 -39.873 25.859 17.650 575 HA3 GLY 76 HA3 GLY 76 -40.513 27.055 18.791 576 H LYS 77 H LYS 77 -42.092 26.292 15.475 577 HA LYS 77 HA LYS 77 -44.632 25.924 16.957 578 HB2 LYS 77 HB2 LYS 77 -44.630 27.573 15.201 579 HB3 LYS 77 HB3 LYS 77 -43.964 26.327 13.974 580 HG2 LYS 77 HG2 LYS 77 -46.141 24.946 14.531 581 HG3 LYS 77 HG3 LYS 77 -46.605 26.531 15.375 582 HD2 LYS 77 HD2 LYS 77 -46.009 27.601 13.088 583 HD3 LYS 77 HD3 LYS 77 -46.065 25.930 12.438 584 HE2 LYS 77 HE2 LYS 77 -48.082 26.504 11.906 585 HE3 LYS 77 HE3 LYS 77 -48.147 25.239 13.214 586 HZ1 LYS 77 HZ1 LYS 77 -49.951 26.669 13.605 587 HZ2 LYS 77 HZ2 LYS 77 -49.001 28.084 13.566 588 HZ3 LYS 77 HZ3 LYS 77 -48.884 26.990 14.817 589 H THR 78 H THR 78 -44.959 23.811 17.473 590 HA THR 78 HA THR 78 -43.715 21.678 16.166 591 HB THR 78 HB THR 78 -46.383 21.241 17.432 592 HG1 THR 78 HG1 THR 78 -45.138 21.162 19.413 593 HG21 THR 78 HG21 THR 78 -45.169 19.272 16.552 594 HG22 THR 78 HG22 THR 78 -45.297 19.227 18.312 595 HG23 THR 78 HG23 THR 78 -43.762 19.689 17.549 596 H PHE 79 H PHE 79 -43.935 20.633 14.288 597 HA PHE 79 HA PHE 79 -46.645 20.421 13.246 598 HB2 PHE 79 HB2 PHE 79 -45.989 20.754 10.877 599 HB3 PHE 79 HB3 PHE 79 -46.061 22.143 11.928 600 HD1 PHE 79 HD1 PHE 79 -42.986 20.104 12.106 601 HD2 PHE 79 HD2 PHE 79 -44.952 23.391 10.131 602 HE1 PHE 79 HE1 PHE 79 -40.834 20.783 11.063 603 HE2 PHE 79 HE2 PHE 79 -42.810 24.040 9.076 604 HZ PHE 79 HZ PHE 79 -40.754 22.721 9.516 605 H LYS 80 H LYS 80 -47.164 18.860 11.727 606 HA LYS 80 HA LYS 80 -46.255 16.279 12.735 607 HB2 LYS 80 HB2 LYS 80 -48.517 16.993 10.846 608 HB3 LYS 80 HB3 LYS 80 -48.211 15.392 11.531 609 HG2 LYS 80 HG2 LYS 80 -48.558 16.279 13.818 610 HG3 LYS 80 HG3 LYS 80 -48.896 17.888 13.149 611 HD2 LYS 80 HD2 LYS 80 -50.787 16.916 11.831 612 HD3 LYS 80 HD3 LYS 80 -50.514 15.354 12.606 613 HE2 LYS 80 HE2 LYS 80 -51.195 17.965 14.045 614 HE3 LYS 80 HE3 LYS 80 -52.367 16.713 13.625 615 HZ1 LYS 80 HZ1 LYS 80 -51.140 15.166 15.044 616 HZ2 LYS 80 HZ2 LYS 80 -51.632 16.469 15.915 617 HZ3 LYS 80 HZ3 LYS 80 -50.061 16.329 15.454 618 H ALA 81 H ALA 81 -44.069 16.747 11.648 619 HA ALA 81 HA ALA 81 -44.003 15.587 8.894 620 HB1 ALA 81 HB1 ALA 81 -42.609 17.633 9.475 621 HB2 ALA 81 HB2 ALA 81 -41.685 16.246 8.878 622 HB3 ALA 81 HB3 ALA 81 -41.713 16.619 10.615 623 H THR 82 H THR 82 -43.049 13.552 8.542 624 HA THR 82 HA THR 82 -41.648 12.202 10.802 625 HB THR 82 HB THR 82 -42.269 11.073 8.094 626 HG1 THR 82 HG1 THR 82 -44.028 10.954 9.292 627 HG21 THR 82 HG21 THR 82 -40.042 10.237 8.969 628 HG22 THR 82 HG22 THR 82 -41.295 8.966 9.108 629 HG23 THR 82 HG23 THR 82 -40.861 9.955 10.579 630 H VAL 83 H VAL 83 -39.414 12.851 10.901 631 HA VAL 83 HA VAL 83 -37.948 13.837 8.663 632 HB VAL 83 HB VAL 83 -36.797 12.811 11.284 633 HG11 VAL 83 HG11 VAL 83 -35.060 14.567 10.723 634 HG12 VAL 83 HG12 VAL 83 -35.998 14.941 9.176 635 HG13 VAL 83 HG13 VAL 83 -35.232 13.388 9.381 636 HG21 VAL 83 HG21 VAL 83 -37.998 15.476 10.322 637 HG22 VAL 83 HG22 VAL 83 -37.178 15.275 11.981 638 HG23 VAL 83 HG23 VAL 83 -38.733 14.435 11.668 639 H GLN 84 H GLN 84 -36.693 12.456 7.308 640 HA GLN 84 HA GLN 84 -36.212 9.622 8.178 641 HB2 GLN 84 HB2 GLN 84 -36.326 10.579 5.309 642 HB3 GLN 84 HB3 GLN 84 -36.098 8.948 5.871 643 HG2 GLN 84 HG2 GLN 84 -38.310 8.599 6.218 644 HG3 GLN 84 HG3 GLN 84 -38.624 10.186 6.875 645 HE21 GLN 84 HE21 GLN 84 -40.176 8.632 4.872 646 HE22 GLN 84 HE22 GLN 84 -40.315 9.778 3.540 647 H MET 85 H MET 85 -34.042 8.793 7.194 648 HA MET 85 HA MET 85 -32.062 10.978 7.089 649 HB2 MET 85 HB2 MET 85 -31.941 10.185 9.382 650 HB3 MET 85 HB3 MET 85 -31.605 8.539 8.827 651 HG2 MET 85 HG2 MET 85 -29.530 9.249 7.801 652 HG3 MET 85 HG3 MET 85 -29.956 10.951 7.995 653 HE1 MET 85 HE1 MET 85 -26.874 10.807 10.251 654 HE2 MET 85 HE2 MET 85 -27.706 11.584 8.880 655 HE3 MET 85 HE3 MET 85 -27.123 9.906 8.732 656 H GLU 86 H GLU 86 -31.467 10.901 5.035 657 HA GLU 86 HA GLU 86 -31.317 8.272 3.652 658 HB2 GLU 86 HB2 GLU 86 -31.727 11.125 2.751 659 HB3 GLU 86 HB3 GLU 86 -31.082 9.937 1.617 660 HG2 GLU 86 HG2 GLU 86 -33.696 9.642 3.157 661 HG3 GLU 86 HG3 GLU 86 -33.550 10.159 1.478 662 H GLY 87 H GLY 87 -29.399 7.457 4.351 663 HA2 GLY 87 HA2 GLY 87 -27.410 7.027 4.604 664 HA3 GLY 87 HA3 GLY 87 -26.977 8.179 3.249 665 H GLY 88 H GLY 88 -26.827 10.523 4.104 666 HA2 GLY 88 HA2 GLY 88 -25.913 10.639 6.927 667 HA3 GLY 88 HA3 GLY 88 -25.082 11.336 5.497 668 H LYS 89 H LYS 89 -28.342 11.506 4.890 669 HA LYS 89 HA LYS 89 -28.418 14.423 5.527 670 HB2 LYS 89 HB2 LYS 89 -29.470 12.512 3.362 671 HB3 LYS 89 HB3 LYS 89 -30.256 14.030 3.465 672 HG2 LYS 89 HG2 LYS 89 -27.993 15.348 2.979 673 HG3 LYS 89 HG3 LYS 89 -27.202 13.749 2.875 674 HD2 LYS 89 HD2 LYS 89 -28.739 13.256 0.864 675 HD3 LYS 89 HD3 LYS 89 -29.604 14.719 1.285 676 HE2 LYS 89 HE2 LYS 89 -28.254 15.377 -0.672 677 HE3 LYS 89 HE3 LYS 89 -27.692 16.280 0.690 678 HZ1 LYS 89 HZ1 LYS 89 -25.995 15.358 -0.701 679 HZ2 LYS 89 HZ2 LYS 89 -26.558 13.747 -0.342 680 HZ3 LYS 89 HZ3 LYS 89 -25.777 14.676 0.808 681 H LEU 90 H LEU 90 -29.771 15.202 6.936 682 HA LEU 90 HA LEU 90 -32.100 13.471 7.660 683 HB2 LEU 90 HB2 LEU 90 -30.922 15.956 8.906 684 HB3 LEU 90 HB3 LEU 90 -32.429 15.198 9.444 685 HG LEU 90 HG LEU 90 -29.996 13.434 9.191 686 HD11 LEU 90 HD11 LEU 90 -29.177 14.008 11.339 687 HD12 LEU 90 HD12 LEU 90 -29.258 15.462 10.379 688 HD13 LEU 90 HD13 LEU 90 -30.505 15.170 11.620 689 HD21 LEU 90 HD21 LEU 90 -32.310 12.558 9.716 690 HD22 LEU 90 HD22 LEU 90 -32.258 13.479 11.231 691 HD23 LEU 90 HD23 LEU 90 -31.086 12.179 10.924 692 H VAL 91 H VAL 91 -34.072 13.798 7.024 693 HA VAL 91 HA VAL 91 -34.641 16.090 5.203 694 HB VAL 91 HB VAL 91 -33.554 14.383 3.958 695 HG11 VAL 91 HG11 VAL 91 -35.454 12.427 5.152 696 HG12 VAL 91 HG12 VAL 91 -33.675 12.412 5.193 697 HG13 VAL 91 HG13 VAL 91 -34.517 12.067 3.687 698 HG21 VAL 91 HG21 VAL 91 -36.504 13.928 3.344 699 HG22 VAL 91 HG22 VAL 91 -35.134 13.810 2.228 700 HG23 VAL 91 HG23 VAL 91 -35.631 15.385 2.851 701 H VAL 92 H VAL 92 -36.736 16.496 4.643 702 HA VAL 92 HA VAL 92 -38.975 14.934 5.800 703 HB VAL 92 HB VAL 92 -40.094 17.197 6.380 704 HG11 VAL 92 HG11 VAL 92 -39.381 17.117 8.633 705 HG12 VAL 92 HG12 VAL 92 -37.869 16.281 8.182 706 HG13 VAL 92 HG13 VAL 92 -39.444 15.475 8.004 707 HG21 VAL 92 HG21 VAL 92 -38.429 18.729 5.392 708 HG22 VAL 92 HG22 VAL 92 -37.218 18.171 6.567 709 HG23 VAL 92 HG23 VAL 92 -38.665 19.017 7.112 710 H ASN 93 H ASN 93 -41.016 15.608 4.866 711 HA ASN 93 HA ASN 93 -41.031 17.364 2.509 712 HB2 ASN 93 HB2 ASN 93 -42.203 14.549 2.399 713 HB3 ASN 93 HB3 ASN 93 -42.081 15.706 1.080 714 HD21 ASN 93 HD21 ASN 93 -40.616 12.996 2.539 715 HD22 ASN 93 HD22 ASN 93 -39.095 13.096 1.680 716 H PHE 94 H PHE 94 -42.866 18.532 2.584 717 HA PHE 94 HA PHE 94 -45.408 17.525 3.710 718 HB2 PHE 94 HB2 PHE 94 -44.138 20.222 4.121 719 HB3 PHE 94 HB3 PHE 94 -45.855 20.066 4.182 720 HD1 PHE 94 HD2 PHE 94 -46.885 18.328 5.873 721 HD2 PHE 94 HD1 PHE 94 -42.943 20.012 6.107 722 HE1 PHE 94 HE2 PHE 94 -46.910 18.055 8.339 723 HE2 PHE 94 HE1 PHE 94 -42.987 19.827 8.576 724 HZ PHE 94 HZ PHE 94 -44.972 18.851 9.697 725 HA PRO 95 HA PRO 95 -47.080 18.690 -0.175 726 HB2 PRO 95 HB2 PRO 95 -48.742 20.939 0.981 727 HB3 PRO 95 HB3 PRO 95 -49.205 19.721 -0.251 728 HG2 PRO 95 HG2 PRO 95 -49.947 19.325 2.303 729 HG3 PRO 95 HG3 PRO 95 -49.194 17.960 1.408 730 HD2 PRO 95 HD2 PRO 95 -47.910 19.878 3.360 731 HD3 PRO 95 HD3 PRO 95 -47.763 18.094 3.294 732 H ASN 96 H ASN 96 -45.795 21.459 1.538 733 HA ASN 96 HA ASN 96 -44.771 22.547 -1.031 734 HB2 ASN 96 HB2 ASN 96 -45.256 24.784 -0.244 735 HB3 ASN 96 HB3 ASN 96 -46.741 23.848 -0.171 736 HD21 ASN 96 HD21 ASN 96 -46.041 26.304 1.355 737 HD22 ASN 96 HD22 ASN 96 -46.164 25.802 3.029 738 H TYR 97 H TYR 97 -43.580 21.047 1.705 739 HA TYR 97 HA TYR 97 -41.388 23.015 1.957 740 HB2 TYR 97 HB2 TYR 97 -42.876 23.650 3.742 741 HB3 TYR 97 HB3 TYR 97 -42.954 21.969 4.322 742 HD1 TYR 97 HD1 TYR 97 -40.607 24.812 3.682 743 HD2 TYR 97 HD2 TYR 97 -41.253 21.085 5.720 744 HE1 TYR 97 HE1 TYR 97 -38.526 25.163 4.986 745 HE2 TYR 97 HE2 TYR 97 -39.172 21.435 7.022 746 HH TYR 97 HH TYR 97 -37.258 24.412 6.667 747 H HIS 98 H HIS 98 -39.343 22.031 2.169 748 HA HIS 98 HA HIS 98 -39.053 19.215 3.013 749 HB2 HIS 98 HB2 HIS 98 -39.639 18.809 0.738 750 HB3 HIS 98 HB3 HIS 98 -38.782 20.225 0.159 751 HD1 HIS 98 HD1 HIS 98 -38.147 16.584 1.112 752 HD2 HIS 98 HD2 HIS 98 -36.140 20.009 -0.357 753 HE1 HIS 98 HE1 HIS 98 -35.838 15.777 0.298 754 H GLN 99 H GLN 99 -36.749 18.604 3.280 755 HA GLN 99 HA GLN 99 -34.778 20.298 2.186 756 HB2 GLN 99 HB2 GLN 99 -33.608 21.216 3.968 757 HB3 GLN 99 HB3 GLN 99 -35.285 21.621 4.260 758 HG2 GLN 99 HG2 GLN 99 -35.320 19.850 6.037 759 HG3 GLN 99 HG3 GLN 99 -33.611 19.533 5.705 760 HE21 GLN 99 HE21 GLN 99 -32.579 20.453 7.492 761 HE22 GLN 99 HE22 GLN 99 -32.617 22.151 7.758 762 H THR 100 H THR 100 -32.505 19.591 3.033 763 HA THR 100 HA THR 100 -32.265 16.776 3.916 764 HB THR 100 HB THR 100 -30.434 16.711 1.921 765 HG1 THR 100 HG1 THR 100 -31.281 18.752 1.087 766 HG21 THR 100 HG21 THR 100 -32.037 15.445 0.515 767 HG22 THR 100 HG22 THR 100 -33.374 16.063 1.521 768 HG23 THR 100 HG23 THR 100 -32.130 14.983 2.211 769 H SER 101 H SER 101 -30.398 16.846 5.279 770 HA SER 101 HA SER 101 -28.822 19.345 5.217 771 HB2 SER 101 HB2 SER 101 -30.070 18.187 7.763 772 HB3 SER 101 HB3 SER 101 -29.199 19.786 7.591 773 HG SER 101 HG SER 101 -30.887 20.535 6.511 774 H GLU 102 H GLU 102 -26.530 18.900 5.488 775 HA GLU 102 HA GLU 102 -25.850 16.311 6.816 776 HB2 GLU 102 HB2 GLU 102 -24.578 15.459 4.991 777 HB3 GLU 102 HB3 GLU 102 -26.274 15.655 4.576 778 HG2 GLU 102 HG2 GLU 102 -25.683 17.781 3.350 779 HG3 GLU 102 HG3 GLU 102 -23.975 17.464 3.711 780 H ILE 103 H ILE 103 -23.621 15.881 7.332 781 HA ILE 103 HA ILE 103 -21.980 18.295 7.864 782 HB ILE 103 HB ILE 103 -21.598 15.327 8.401 783 HG12 ILE 103 HG12 ILE 103 -23.236 16.417 9.864 784 HG13 ILE 103 HG13 ILE 103 -21.843 15.822 10.739 785 HG21 ILE 103 HG21 ILE 103 -19.663 17.587 9.012 786 HG22 ILE 103 HG22 ILE 103 -19.378 16.115 8.058 787 HG23 ILE 103 HG23 ILE 103 -19.604 15.995 9.794 788 HD11 ILE 103 HD11 ILE 103 -22.256 18.746 9.979 789 HD12 ILE 103 HD12 ILE 103 -20.941 18.091 10.974 790 HD13 ILE 103 HD13 ILE 103 -22.612 18.037 11.560 791 H VAL 104 H VAL 104 -20.125 18.877 6.675 792 HA VAL 104 HA VAL 104 -18.930 16.795 5.048 793 HB VAL 104 HB VAL 104 -18.948 19.733 4.199 794 HG11 VAL 104 HG11 VAL 104 -17.876 18.825 2.182 795 HG12 VAL 104 HG12 VAL 104 -18.070 17.109 2.810 796 HG13 VAL 104 HG13 VAL 104 -16.909 18.231 3.577 797 HG21 VAL 104 HG21 VAL 104 -21.082 19.262 3.757 798 HG22 VAL 104 HG22 VAL 104 -20.955 17.548 3.200 799 HG23 VAL 104 HG23 VAL 104 -20.416 18.846 2.221 800 H GLY 105 H GLY 105 -17.425 16.188 6.329 801 HA2 GLY 105 HA2 GLY 105 -15.862 16.154 7.823 802 HA3 GLY 105 HA3 GLY 105 -15.139 17.604 7.088 803 H ASP 106 H ASP 106 -14.879 19.225 8.440 804 HA ASP 106 HA ASP 106 -16.445 19.403 10.941 805 HB2 ASP 106 HB2 ASP 106 -14.279 21.283 9.939 806 HB3 ASP 106 HB3 ASP 106 -15.159 21.337 11.511 807 H LYS 107 H LYS 107 -17.308 20.327 7.886 808 HA LYS 107 HA LYS 107 -18.790 22.725 8.846 809 HB2 LYS 107 HB2 LYS 107 -18.002 22.032 5.936 810 HB3 LYS 107 HB3 LYS 107 -19.113 23.241 6.323 811 HG2 LYS 107 HG2 LYS 107 -17.394 24.302 7.754 812 HG3 LYS 107 HG3 LYS 107 -16.184 23.006 7.286 813 HD2 LYS 107 HD2 LYS 107 -16.974 23.808 4.820 814 HD3 LYS 107 HD3 LYS 107 -17.539 25.269 5.606 815 HE2 LYS 107 HE2 LYS 107 -15.437 25.876 4.859 816 HE3 LYS 107 HE3 LYS 107 -15.135 25.504 6.604 817 HZ1 LYS 107 HZ1 LYS 107 -14.666 23.724 4.203 818 HZ2 LYS 107 HZ2 LYS 107 -14.374 23.260 5.799 819 HZ3 LYS 107 HZ3 LYS 107 -13.454 24.496 5.063 820 H LEU 108 H LEU 108 -20.676 23.059 7.632 821 HA LEU 108 HA LEU 108 -22.316 20.581 7.717 822 HB2 LEU 108 HB2 LEU 108 -21.892 21.154 9.952 823 HB3 LEU 108 HB3 LEU 108 -21.887 22.891 9.629 824 HG LEU 108 HG LEU 108 -24.264 22.934 9.309 825 HD11 LEU 108 HD11 LEU 108 -25.624 21.125 9.359 826 HD12 LEU 108 HD12 LEU 108 -24.429 20.015 10.118 827 HD13 LEU 108 HD13 LEU 108 -24.372 20.452 8.415 828 HD21 LEU 108 HD21 LEU 108 -23.391 21.425 11.805 829 HD22 LEU 108 HD22 LEU 108 -24.800 22.455 11.667 830 HD23 LEU 108 HD23 LEU 108 -23.221 23.185 11.537 831 H VAL 109 H VAL 109 -23.630 20.636 6.088 832 HA VAL 109 HA VAL 109 -24.180 23.222 4.735 833 HB VAL 109 HB VAL 109 -23.869 20.463 3.510 834 HG11 VAL 109 HG11 VAL 109 -25.405 21.845 2.188 835 HG12 VAL 109 HG12 VAL 109 -23.859 21.724 1.354 836 HG13 VAL 109 HG13 VAL 109 -24.280 23.211 2.235 837 HG21 VAL 109 HG21 VAL 109 -21.795 21.361 2.533 838 HG22 VAL 109 HG22 VAL 109 -21.701 21.362 4.302 839 HG23 VAL 109 HG23 VAL 109 -22.008 22.874 3.435 840 H GLU 110 H GLU 110 -26.094 23.865 4.557 841 HA GLU 110 HA GLU 110 -28.421 22.110 5.110 842 HB2 GLU 110 HB2 GLU 110 -27.993 24.195 6.500 843 HB3 GLU 110 HB3 GLU 110 -28.181 25.160 5.079 844 HG2 GLU 110 HG2 GLU 110 -30.209 25.237 6.415 845 HG3 GLU 110 HG3 GLU 110 -30.526 24.544 4.838 846 H VAL 111 H VAL 111 -30.002 21.880 3.582 847 HA VAL 111 HA VAL 111 -30.352 23.937 1.577 848 HB VAL 111 HB VAL 111 -28.652 22.663 0.462 849 HG11 VAL 111 HG11 VAL 111 -28.946 20.470 -0.443 850 HG12 VAL 111 HG12 VAL 111 -30.568 20.334 0.266 851 HG13 VAL 111 HG13 VAL 111 -29.138 20.381 1.315 852 HG21 VAL 111 HG21 VAL 111 -31.351 22.371 -0.920 853 HG22 VAL 111 HG22 VAL 111 -29.743 22.496 -1.689 854 HG23 VAL 111 HG23 VAL 111 -30.409 23.869 -0.806 855 H SER 112 H SER 112 -32.326 24.433 1.563 856 HA SER 112 HA SER 112 -34.432 22.414 2.206 857 HB2 SER 112 HB2 SER 112 -34.536 25.248 3.188 858 HB3 SER 112 HB3 SER 112 -35.407 23.840 3.789 859 HG SER 112 HG SER 112 -33.788 23.490 5.128 860 H THR 113 H THR 113 -36.632 23.158 1.626 861 HA THR 113 HA THR 113 -36.772 24.834 -0.815 862 HB THR 113 HB THR 113 -37.805 21.951 -0.841 863 HG1 THR 113 HG1 THR 113 -36.281 21.828 -2.479 864 HG21 THR 113 HG21 THR 113 -38.058 22.652 -3.299 865 HG22 THR 113 HG22 THR 113 -37.380 24.339 -2.884 866 HG23 THR 113 HG23 THR 113 -38.936 23.768 -2.302 867 H ILE 114 H ILE 114 -38.444 26.181 -0.557 868 HA ILE 114 HA ILE 114 -40.903 25.108 0.733 869 HB ILE 114 HB ILE 114 -39.622 26.540 2.346 870 HG12 ILE 114 HG12 ILE 114 -41.929 26.133 2.810 871 HG13 ILE 114 HG13 ILE 114 -41.576 27.811 3.143 872 HG21 ILE 114 HG21 ILE 114 -40.561 28.930 0.724 873 HG22 ILE 114 HG22 ILE 114 -38.923 28.298 0.643 874 HG23 ILE 114 HG23 ILE 114 -39.566 28.896 2.187 875 HD11 ILE 114 HD11 ILE 114 -43.283 26.592 0.964 876 HD12 ILE 114 HD12 ILE 114 -42.714 28.275 0.830 877 HD13 ILE 114 HD13 ILE 114 -43.722 27.764 2.197 878 H GLY 115 H GLY 115 -42.420 25.092 -0.782 879 HA2 GLY 115 HA2 GLY 115 -43.756 25.562 -2.384 880 HA3 GLY 115 HA3 GLY 115 -43.444 27.311 -1.985 881 H GLY 116 H GLY 116 -41.034 25.127 -3.052 882 HA2 GLY 116 HA2 GLY 116 -40.195 24.616 -5.233 883 HA3 GLY 116 HA3 GLY 116 -41.124 25.958 -5.907 884 H VAL 117 H VAL 117 -39.835 27.467 -3.221 885 HA VAL 117 HA VAL 117 -37.377 28.179 -4.715 886 HB VAL 117 HB VAL 117 -38.999 29.996 -4.276 887 HG11 VAL 117 HG11 VAL 117 -37.964 29.797 -1.409 888 HG12 VAL 117 HG12 VAL 117 -39.635 29.712 -1.978 889 HG13 VAL 117 HG13 VAL 117 -38.762 31.222 -2.116 890 HG21 VAL 117 HG21 VAL 117 -36.133 30.374 -3.317 891 HG22 VAL 117 HG22 VAL 117 -37.228 31.633 -3.907 892 HG23 VAL 117 HG23 VAL 117 -36.696 30.357 -5.002 893 H THR 118 H THR 118 -35.364 27.948 -4.014 894 HA THR 118 HA THR 118 -35.048 26.184 -1.738 895 HB THR 118 HB THR 118 -33.329 27.163 -4.079 896 HG1 THR 118 HG1 THR 118 -33.849 25.331 -4.960 897 HG21 THR 118 HG21 THR 118 -31.896 24.955 -3.448 898 HG22 THR 118 HG22 THR 118 -32.665 25.105 -1.882 899 HG23 THR 118 HG23 THR 118 -31.608 26.495 -2.496 900 H TYR 119 H TYR 119 -33.789 26.340 -0.004 901 HA TYR 119 HA TYR 119 -32.123 28.818 0.529 902 HB2 TYR 119 HB2 TYR 119 -33.972 28.283 2.354 903 HB3 TYR 119 HB3 TYR 119 -33.176 26.653 2.625 904 HD1 TYR 119 HD1 TYR 119 -33.028 30.241 3.201 905 HD2 TYR 119 HD2 TYR 119 -30.788 26.522 3.578 906 HE1 TYR 119 HE1 TYR 119 -31.305 31.261 4.780 907 HE2 TYR 119 HE2 TYR 119 -29.358 27.603 5.282 908 HH TYR 119 HH TYR 119 -29.605 29.873 6.822 909 H GLU 120 H GLU 120 -29.898 28.514 1.030 910 HA GLU 120 HA GLU 120 -29.093 25.774 1.389 911 HB2 GLU 120 HB2 GLU 120 -29.168 25.769 -1.148 912 HB3 GLU 120 HB3 GLU 120 -28.354 27.265 -1.275 913 HG2 GLU 120 HG2 GLU 120 -26.407 25.841 0.259 914 HG3 GLU 120 HG3 GLU 120 -27.439 24.473 -0.278 915 H ARG 121 H ARG 121 -27.331 26.058 2.931 916 HA ARG 121 HA ARG 121 -25.213 27.848 2.423 917 HB2 ARG 121 HB2 ARG 121 -27.262 28.885 4.408 918 HB3 ARG 121 HB3 ARG 121 -25.584 29.166 4.775 919 HG2 ARG 121 HG2 ARG 121 -27.213 30.387 2.629 920 HG3 ARG 121 HG3 ARG 121 -26.092 31.069 3.732 921 HD2 ARG 121 HD2 ARG 121 -24.214 29.907 2.456 922 HD3 ARG 121 HD3 ARG 121 -25.386 29.677 1.165 923 HE ARG 121 HE ARG 121 -25.454 32.421 1.991 924 HH11 ARG 121 HH11 ARG 121 -23.609 30.200 0.055 925 HH12 ARG 121 HH12 ARG 121 -22.636 31.431 -0.693 926 HH21 ARG 121 HH21 ARG 121 -24.152 33.986 1.096 927 HH22 ARG 121 HH22 ARG 121 -22.918 33.575 -0.062 928 H VAL 122 H VAL 122 -23.654 28.249 4.559 929 HA VAL 122 HA VAL 122 -23.308 25.472 5.617 930 HB VAL 122 HB VAL 122 -21.351 27.301 4.324 931 HG11 VAL 122 HG11 VAL 122 -19.764 25.145 4.515 932 HG12 VAL 122 HG12 VAL 122 -21.142 24.401 5.423 933 HG13 VAL 122 HG13 VAL 122 -20.322 25.727 6.133 934 HG21 VAL 122 HG21 VAL 122 -22.433 26.440 2.375 935 HG22 VAL 122 HG22 VAL 122 -23.008 24.951 3.275 936 HG23 VAL 122 HG23 VAL 122 -21.390 25.113 2.597 937 H SER 123 H SER 123 -22.721 25.348 7.549 938 HA SER 123 HA SER 123 -21.750 27.634 9.215 939 HB2 SER 123 HB2 SER 123 -23.159 25.056 10.016 940 HB3 SER 123 HB3 SER 123 -22.725 26.399 11.100 941 HG SER 123 HG SER 123 -24.971 26.351 10.180 942 H LYS 124 H LYS 124 -20.160 27.044 10.880 943 HA LYS 124 HA LYS 124 -18.601 24.537 10.317 944 HB2 LYS 124 HB2 LYS 124 -16.517 25.915 10.708 945 HB3 LYS 124 HB3 LYS 124 -17.377 26.088 9.193 946 HG2 LYS 124 HG2 LYS 124 -16.659 28.193 9.667 947 HG3 LYS 124 HG3 LYS 124 -18.370 28.255 10.008 948 HD2 LYS 124 HD2 LYS 124 -17.943 28.354 12.414 949 HD3 LYS 124 HD3 LYS 124 -16.216 27.999 12.151 950 HE2 LYS 124 HE2 LYS 124 -16.058 30.075 10.725 951 HE3 LYS 124 HE3 LYS 124 -17.743 30.439 11.121 952 HZ1 LYS 124 HZ1 LYS 124 -16.235 31.676 12.536 953 HZ2 LYS 124 HZ2 LYS 124 -15.582 30.285 13.159 954 HZ3 LYS 124 HZ3 LYS 124 -17.138 30.732 13.403 955 H ARG 125 H ARG 125 -17.811 23.320 11.970 956 HA ARG 125 HA ARG 125 -18.809 24.019 14.623 957 HB2 ARG 125 HB2 ARG 125 -18.062 21.997 15.507 958 HB3 ARG 125 HB3 ARG 125 -18.863 21.673 14.001 959 HG2 ARG 125 HG2 ARG 125 -16.745 21.307 12.887 960 HG3 ARG 125 HG3 ARG 125 -15.860 21.677 14.386 961 HD2 ARG 125 HD2 ARG 125 -17.086 19.785 15.503 962 HD3 ARG 125 HD3 ARG 125 -17.853 19.406 13.941 963 HE ARG 125 HE ARG 125 -14.989 19.530 13.653 964 HH11 ARG 125 HH11 ARG 125 -17.364 17.274 14.879 965 HH12 ARG 125 HH12 ARG 125 -16.338 15.911 14.495 966 HH21 ARG 125 HH21 ARG 125 -13.866 17.936 13.155 967 HH22 ARG 125 HH22 ARG 125 -14.336 16.269 13.457 968 H LEU 126 H LEU 126 -17.717 24.230 16.496 969 HA LEU 126 HA LEU 126 -14.806 24.552 16.466 970 HB2 LEU 126 HB2 LEU 126 -14.734 26.753 17.385 971 HB3 LEU 126 HB3 LEU 126 -15.498 26.752 15.823 972 HG LEU 126 HG LEU 126 -16.457 28.369 17.307 973 HD11 LEU 126 HD11 LEU 126 -18.753 28.034 16.940 974 HD12 LEU 126 HD12 LEU 126 -18.593 26.261 16.863 975 HD13 LEU 126 HD13 LEU 126 -17.909 27.290 15.587 976 HD21 LEU 126 HD21 LEU 126 -17.643 27.966 19.280 977 HD22 LEU 126 HD22 LEU 126 -16.115 27.117 19.456 978 HD23 LEU 126 HD23 LEU 126 -17.586 26.189 19.086 979 H ALA 127 H ALA 127 -17.183 22.955 17.925 980 HA ALA 127 HA ALA 127 -15.933 23.105 20.626 981 HB1 ALA 127 HB1 ALA 127 -18.251 22.577 20.696 982 HB2 ALA 127 HB2 ALA 127 -17.370 21.108 21.092 983 HB3 ALA 127 HB3 ALA 127 -18.082 21.279 19.476 984 H12 GCH 201 H12 GCH 128 -28.422 16.620 13.187 985 H1 GCH 201 H1 GCH 128 -30.794 17.290 12.828 986 H10 GCH 201 H10 GCH 128 -29.941 18.916 11.666 987 H11 GCH 201 H11 GCH 128 -29.065 17.534 11.019 988 H9 GCH 201 H9 GCH 128 -27.034 18.564 11.560 989 H4 GCH 201 H4 GCH 128 -27.851 20.577 14.735 990 H5 GCH 201 H5 GCH 128 -29.336 20.222 13.892 991 H2 GCH 201 H2 GCH 128 -27.065 18.243 14.334 992 H3 GCH 201 H3 GCH 128 -28.555 18.408 15.235 993 H6 GCH 201 H6 GCH 128 -25.748 19.529 13.255 994 H7 GCH 201 H7 GCH 128 -25.520 20.639 11.858 995 H8 GCH 201 H8 GCH 128 -25.819 21.234 13.599 996 H17 GCH 201 H17 GCH 128 -26.704 19.661 9.759 997 H18 GCH 201 H18 GCH 128 -28.393 19.034 9.476 998 H16 GCH 201 H16 GCH 128 -27.668 21.561 8.839 999 H13 GCH 201 H13 GCH 128 -29.561 22.145 8.896 1000 H15 GCH 201 H15 GCH 128 -26.602 22.258 10.776 1001 H14 GCH 201 H14 GCH 128 -29.311 21.599 11.918 1002 H41 GCH 201 H41 GCH 128 -28.787 22.641 14.015 1003 H42 GCH 201 H42 GCH 128 -27.075 22.808 13.606 1004 H40 GCH 201 H40 GCH 128 -27.509 24.958 13.519 1005 H35 GCH 201 H35 GCH 128 -29.418 23.747 10.641 1006 H33 GCH 201 H33 GCH 128 -28.626 23.727 8.373 1007 H34 GCH 201 H34 GCH 128 -26.943 24.043 8.804 1008 H31 GCH 201 H31 GCH 128 -28.964 26.058 8.613 1009 H32 GCH 201 H32 GCH 128 -27.246 26.167 8.801 1010 H30 GCH 201 H30 GCH 128 -29.298 25.944 10.976 1011 H29 GCH 201 H29 GCH 128 -26.920 27.690 10.498 1012 H19 GCH 201 H19 GCH 128 -28.162 27.183 13.229 1013 H20 GCH 201 H20 GCH 128 -26.400 27.312 12.689 1014 H21 GCH 201 H21 GCH 128 -27.345 28.751 12.733 1015 H27 GCH 201 H27 GCH 128 -29.754 28.166 11.705 1016 H28 GCH 201 H28 GCH 128 -28.525 29.402 11.074 1017 H25 GCH 201 H25 GCH 128 -29.163 28.247 8.643 1018 H26 GCH 201 H26 GCH 128 -30.635 27.702 9.620 1019 H24 GCH 201 H24 GCH 128 -30.191 30.264 11.197 1020 H22 GCH 201 H22 GCH 128 -32.266 31.661 10.336 1021 H23 GCH 201 H23 GCH 128 -30.905 32.443 9.334 1022 H36 GCH 201 H36 GCH 128 -25.525 24.321 10.498 1023 H37 GCH 201 H37 GCH 128 -25.641 25.740 11.588 1024 H38 GCH 201 H38 GCH 128 -25.669 24.283 12.444 1025 H39 GCH 201 H39 GCH 128 -30.020 24.085 12.480 1026 H11 CHO 202 H11 CHO 129 -35.146 18.362 8.201 1027 H12 CHO 202 H12 CHO 129 -35.451 16.950 9.260 1028 H21 CHO 202 H21 CHO 129 -33.067 17.309 8.691 1029 H22 CHO 202 H22 CHO 129 -32.959 18.885 9.383 1030 H3 CHO 202 H3 CHO 129 -33.536 16.236 11.047 1031 HO3 CHO 202 HO3 CHO 129 -31.615 18.265 10.791 1032 H41 CHO 202 H41 CHO 129 -33.717 17.709 12.869 1033 H42 CHO 202 H42 CHO 129 -33.450 19.244 11.872 1034 H5 CHO 202 H5 CHO 129 -35.755 17.235 11.792 1035 H61 CHO 202 H61 CHO 129 -36.876 18.792 13.213 1036 H62 CHO 202 H62 CHO 129 -35.198 18.688 13.851 1037 H7 CHO 202 H7 CHO 129 -36.404 20.896 13.580 1038 HO7 CHO 202 HO7 CHO 129 -33.842 20.790 12.880 1039 H8 CHO 202 H8 CHO 129 -37.107 21.022 11.379 1040 H9 CHO 202 H9 CHO 129 -34.308 20.286 10.402 1041 H111 CHO 202 H111 CHO 129 -35.251 20.368 8.157 1042 H112 CHO 202 H112 CHO 129 -36.832 20.604 8.644 1043 H121 CHO 202 H121 CHO 129 -36.115 22.855 7.910 1044 H122 CHO 202 H122 CHO 129 -34.534 22.475 8.881 1045 H14 CHO 202 H14 CHO 129 -34.442 22.551 11.025 1046 H151 CHO 202 H151 CHO 129 -36.739 23.332 12.911 1047 H152 CHO 202 H152 CHO 129 -34.958 23.590 12.964 1048 H161 CHO 202 H161 CHO 129 -36.871 25.395 11.523 1049 H162 CHO 202 H162 CHO 129 -35.186 25.599 11.941 1050 H17 CHO 202 H17 CHO 129 -34.432 24.411 9.895 1051 H181 CHO 202 H181 CHO 129 -38.098 22.576 9.090 1052 H182 CHO 202 H182 CHO 129 -38.130 22.520 10.815 1053 H183 CHO 202 H183 CHO 129 -38.153 24.117 9.975 1054 H191 CHO 202 H191 CHO 129 -37.520 17.538 10.322 1055 H192 CHO 202 H192 CHO 129 -37.792 19.060 11.002 1056 H193 CHO 202 H193 CHO 129 -37.643 18.895 9.193 1057 H20 CHO 202 H20 CHO 129 -36.930 25.302 8.642 1058 H211 CHO 202 H211 CHO 129 -35.161 24.859 7.136 1059 H212 CHO 202 H212 CHO 129 -35.227 26.563 7.267 1060 H213 CHO 202 H213 CHO 129 -33.929 25.681 8.135 1061 H221 CHO 202 H221 CHO 129 -35.088 27.628 9.287 1062 H222 CHO 202 H222 CHO 129 -35.768 27.119 10.714 1063 H231 CHO 202 H231 CHO 129 -36.893 28.919 9.709 1064 H232 CHO 202 H232 CHO 129 -37.249 27.979 8.218 1065 HN CHO 202 HN CHO 129 -38.852 29.468 10.647 1066 H261 CHO 202 H261 CHO 129 -41.171 29.187 10.150 1067 H262 CHO 202 H262 CHO 129 -40.978 27.418 10.374 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -25.265 11.650 11.896 2 H2 ALA 1 H2 ALA 1 -25.171 10.076 12.398 3 H3 ALA 1 H3 ALA 1 -23.798 10.927 12.025 4 HA ALA 1 HA ALA 1 -25.590 11.590 14.240 5 HB1 ALA 1 HB1 ALA 1 -22.869 10.267 14.389 6 HB2 ALA 1 HB2 ALA 1 -24.435 9.474 14.697 7 HB3 ALA 1 HB3 ALA 1 -23.889 10.788 15.751 8 H PHE 2 H PHE 2 -25.350 13.644 14.912 9 HA PHE 2 HA PHE 2 -23.223 15.256 13.562 10 HB2 PHE 2 HB2 PHE 2 -26.159 15.807 13.969 11 HB3 PHE 2 HB3 PHE 2 -24.984 16.894 13.247 12 HD1 PHE 2 HD2 PHE 2 -23.908 16.432 11.067 13 HD2 PHE 2 HD1 PHE 2 -27.308 14.272 12.569 14 HE1 PHE 2 HE2 PHE 2 -24.651 15.928 8.747 15 HE2 PHE 2 HE1 PHE 2 -27.938 13.639 10.263 16 HZ PHE 2 HZ PHE 2 -26.619 14.489 8.341 17 H THR 3 H THR 3 -23.709 14.433 16.463 18 HA THR 3 HA THR 3 -24.041 16.416 18.327 19 HB THR 3 HB THR 3 -21.824 14.356 18.310 20 HG1 THR 3 HG1 THR 3 -23.345 12.994 19.138 21 HG21 THR 3 HG21 THR 3 -21.540 15.853 20.201 22 HG22 THR 3 HG22 THR 3 -22.202 14.317 20.779 23 HG23 THR 3 HG23 THR 3 -23.256 15.736 20.617 24 H GLY 4 H GLY 4 -23.179 18.124 18.873 25 HA2 GLY 4 HA2 GLY 4 -20.753 18.981 19.586 26 HA3 GLY 4 HA3 GLY 4 -20.627 19.167 17.791 27 H LYS 5 H LYS 5 -19.916 21.418 18.038 28 HA LYS 5 HA LYS 5 -22.176 23.041 18.608 29 HB2 LYS 5 HB2 LYS 5 -20.253 22.616 20.465 30 HB3 LYS 5 HB3 LYS 5 -19.281 23.782 19.466 31 HG2 LYS 5 HG2 LYS 5 -22.049 24.085 20.860 32 HG3 LYS 5 HG3 LYS 5 -20.462 24.587 21.602 33 HD2 LYS 5 HD2 LYS 5 -21.476 26.006 19.009 34 HD3 LYS 5 HD3 LYS 5 -21.901 26.567 20.686 35 HE2 LYS 5 HE2 LYS 5 -19.031 26.006 19.859 36 HE3 LYS 5 HE3 LYS 5 -19.861 27.536 19.314 37 HZ1 LYS 5 HZ1 LYS 5 -18.965 26.709 21.950 38 HZ2 LYS 5 HZ2 LYS 5 -20.355 27.804 21.798 39 HZ3 LYS 5 HZ3 LYS 5 -18.809 28.072 21.150 40 H PHE 6 H PHE 6 -22.437 24.632 17.164 41 HA PHE 6 HA PHE 6 -20.261 25.098 15.140 42 HB2 PHE 6 HB2 PHE 6 -23.117 24.253 14.593 43 HB3 PHE 6 HB3 PHE 6 -21.759 24.345 13.451 44 HD1 PHE 6 HD2 PHE 6 -20.098 22.592 13.330 45 HD2 PHE 6 HD1 PHE 6 -23.430 22.290 16.020 46 HE1 PHE 6 HE2 PHE 6 -19.622 20.153 13.645 47 HE2 PHE 6 HE1 PHE 6 -22.985 19.851 16.281 48 HZ PHE 6 HZ PHE 6 -21.086 18.792 15.120 49 H GLU 7 H GLU 7 -20.331 27.141 14.336 50 HA GLU 7 HA GLU 7 -22.585 29.054 15.153 51 HB2 GLU 7 HB2 GLU 7 -20.122 29.513 16.101 52 HB3 GLU 7 HB3 GLU 7 -19.638 29.405 14.466 53 HG2 GLU 7 HG2 GLU 7 -21.132 31.417 13.834 54 HG3 GLU 7 HG3 GLU 7 -21.813 31.380 15.383 55 H MET 8 H MET 8 -23.811 29.596 13.617 56 HA MET 8 HA MET 8 -23.530 29.408 10.949 57 HB2 MET 8 HB2 MET 8 -25.666 29.979 12.388 58 HB3 MET 8 HB3 MET 8 -25.157 31.583 12.119 59 HG2 MET 8 HG2 MET 8 -25.345 31.493 9.731 60 HG3 MET 8 HG3 MET 8 -25.777 29.740 9.593 61 HE1 MET 8 HE1 MET 8 -28.595 32.203 8.396 62 HE2 MET 8 HE2 MET 8 -28.793 30.410 8.343 63 HE3 MET 8 HE3 MET 8 -27.206 31.135 7.974 64 H GLU 9 H GLU 9 -22.575 30.480 9.187 65 HA GLU 9 HA GLU 9 -22.733 33.353 9.409 66 HB2 GLU 9 HB2 GLU 9 -20.297 31.719 8.738 67 HB3 GLU 9 HB3 GLU 9 -20.496 33.304 7.826 68 HG2 GLU 9 HG2 GLU 9 -20.765 34.479 10.205 69 HG3 GLU 9 HG3 GLU 9 -20.127 32.818 10.692 70 H SER 10 H SER 10 -24.790 32.666 8.080 71 HA SER 10 HA SER 10 -24.031 32.678 5.279 72 HB2 SER 10 HB2 SER 10 -23.830 30.209 5.993 73 HB3 SER 10 HB3 SER 10 -25.592 30.246 6.158 74 HG SER 10 HG SER 10 -24.025 30.754 3.841 75 H GLU 11 H GLU 11 -25.965 32.711 3.729 76 HA GLU 11 HA GLU 11 -28.409 33.664 4.762 77 HB2 GLU 11 HB2 GLU 11 -26.177 35.624 3.533 78 HB3 GLU 11 HB3 GLU 11 -27.887 35.937 3.681 79 HG2 GLU 11 HG2 GLU 11 -27.993 36.169 6.021 80 HG3 GLU 11 HG3 GLU 11 -26.459 35.338 6.280 81 H LYS 12 H LYS 12 -28.828 31.707 2.943 82 HA LYS 12 HA LYS 12 -28.640 33.021 0.356 83 HB2 LYS 12 HB2 LYS 12 -27.253 30.741 0.685 84 HB3 LYS 12 HB3 LYS 12 -28.862 30.044 1.014 85 HG2 LYS 12 HG2 LYS 12 -28.472 29.467 -1.288 86 HG3 LYS 12 HG3 LYS 12 -29.439 30.941 -1.348 87 HD2 LYS 12 HD2 LYS 12 -27.724 32.330 -1.922 88 HD3 LYS 12 HD3 LYS 12 -26.438 31.175 -1.522 89 HE2 LYS 12 HE2 LYS 12 -28.615 30.802 -3.879 90 HE3 LYS 12 HE3 LYS 12 -26.920 31.518 -4.055 91 HZ1 LYS 12 HZ1 LYS 12 -25.929 29.592 -3.107 92 HZ2 LYS 12 HZ2 LYS 12 -26.708 29.346 -4.599 93 HZ3 LYS 12 HZ3 LYS 12 -27.458 28.775 -3.222 94 H ASN 13 H ASN 13 -30.397 33.959 0.038 95 HA ASN 13 HA ASN 13 -32.606 34.337 -0.297 96 HB2 ASN 13 HB2 ASN 13 -32.303 32.367 -1.802 97 HB3 ASN 13 HB3 ASN 13 -32.821 31.318 -0.477 98 HD21 ASN 13 HD21 ASN 13 -34.560 30.574 -1.754 99 HD22 ASN 13 HD22 ASN 13 -35.933 31.667 -2.114 100 H TYR 14 H TYR 14 -31.875 34.535 2.408 101 HA TYR 14 HA TYR 14 -33.477 32.795 4.053 102 HB2 TYR 14 HB2 TYR 14 -32.783 34.209 5.924 103 HB3 TYR 14 HB3 TYR 14 -31.432 33.717 4.924 104 HD1 TYR 14 HD1 TYR 14 -33.545 36.571 5.935 105 HD2 TYR 14 HD2 TYR 14 -30.084 35.334 3.683 106 HE1 TYR 14 HE1 TYR 14 -32.795 38.932 5.783 107 HE2 TYR 14 HE2 TYR 14 -29.290 37.699 3.615 108 HH TYR 14 HH TYR 14 -29.570 39.742 4.564 109 H ASP 15 H ASP 15 -34.045 36.107 2.946 110 HA ASP 15 HA ASP 15 -35.998 36.883 4.853 111 HB2 ASP 15 HB2 ASP 15 -34.611 38.229 3.227 112 HB3 ASP 15 HB3 ASP 15 -35.789 37.922 1.903 113 H GLU 16 H GLU 16 -36.781 35.671 1.619 114 HA GLU 16 HA GLU 16 -39.624 35.486 2.004 115 HB2 GLU 16 HB2 GLU 16 -37.965 34.046 -0.174 116 HB3 GLU 16 HB3 GLU 16 -39.705 34.354 -0.087 117 HG2 GLU 16 HG2 GLU 16 -39.418 36.758 -0.285 118 HG3 GLU 16 HG3 GLU 16 -37.602 36.631 -0.262 119 H PHE 17 H PHE 17 -37.046 33.205 2.119 120 HA PHE 17 HA PHE 17 -38.728 30.910 2.227 121 HB2 PHE 17 HB2 PHE 17 -36.274 31.208 1.591 122 HB3 PHE 17 HB3 PHE 17 -35.891 31.319 3.310 123 HD1 PHE 17 HD2 PHE 17 -36.452 29.299 4.800 124 HD2 PHE 17 HD1 PHE 17 -36.600 29.208 0.485 125 HE1 PHE 17 HE2 PHE 17 -36.402 26.817 4.834 126 HE2 PHE 17 HE1 PHE 17 -36.393 26.745 0.552 127 HZ PHE 17 HZ PHE 17 -36.366 25.558 2.691 128 H MET 18 H MET 18 -37.019 32.791 4.785 129 HA MET 18 HA MET 18 -38.201 31.314 6.973 130 HB2 MET 18 HB2 MET 18 -36.901 34.062 6.962 131 HB3 MET 18 HB3 MET 18 -37.339 33.112 8.393 132 HG2 MET 18 HG2 MET 18 -35.286 32.345 6.298 133 HG3 MET 18 HG3 MET 18 -34.946 32.910 7.919 134 HE1 MET 18 HE1 MET 18 -34.028 28.982 7.183 135 HE2 MET 18 HE2 MET 18 -33.314 30.608 7.290 136 HE3 MET 18 HE3 MET 18 -34.343 30.171 5.907 137 H LYS 19 H LYS 19 -39.318 34.348 5.173 138 HA LYS 19 HA LYS 19 -41.486 34.689 6.957 139 HB2 LYS 19 HB2 LYS 19 -41.053 35.264 4.046 140 HB3 LYS 19 HB3 LYS 19 -42.659 35.586 4.748 141 HG2 LYS 19 HG2 LYS 19 -40.036 36.793 5.561 142 HG3 LYS 19 HG3 LYS 19 -41.281 37.684 4.663 143 HD2 LYS 19 HD2 LYS 19 -41.794 36.636 7.466 144 HD3 LYS 19 HD3 LYS 19 -41.382 38.388 7.141 145 HE2 LYS 19 HE2 LYS 19 -43.832 36.897 6.056 146 HE3 LYS 19 HE3 LYS 19 -43.687 38.229 7.403 147 HZ1 LYS 19 HZ1 LYS 19 -44.435 39.087 5.352 148 HZ2 LYS 19 HZ2 LYS 19 -43.362 38.247 4.532 149 HZ3 LYS 19 HZ3 LYS 19 -42.806 39.602 5.404 150 H LEU 20 H LEU 20 -41.294 32.751 3.958 151 HA LEU 20 HA LEU 20 -43.960 32.032 3.694 152 HB2 LEU 20 HB2 LEU 20 -41.276 30.720 3.073 153 HB3 LEU 20 HB3 LEU 20 -42.630 29.759 2.601 154 HG LEU 20 HG LEU 20 -42.067 32.627 1.625 155 HD11 LEU 20 HD11 LEU 20 -41.610 31.431 -0.631 156 HD12 LEU 20 HD12 LEU 20 -41.670 29.932 0.385 157 HD13 LEU 20 HD13 LEU 20 -40.340 31.151 0.515 158 HD21 LEU 20 HD21 LEU 20 -43.777 32.531 0.235 159 HD22 LEU 20 HD22 LEU 20 -44.667 32.013 1.646 160 HD23 LEU 20 HD23 LEU 20 -44.155 30.775 0.452 161 H LEU 21 H LEU 21 -41.504 30.324 5.620 162 HA LEU 21 HA LEU 21 -43.479 28.238 6.140 163 HB2 LEU 21 HB2 LEU 21 -40.985 27.908 5.616 164 HB3 LEU 21 HB3 LEU 21 -40.705 28.243 7.308 165 HG LEU 21 HG LEU 21 -41.918 26.239 7.959 166 HD11 LEU 21 HD11 LEU 21 -42.772 26.046 5.029 167 HD12 LEU 21 HD12 LEU 21 -43.834 26.153 6.459 168 HD13 LEU 21 HD13 LEU 21 -42.884 24.693 6.176 169 HD21 LEU 21 HD21 LEU 21 -40.497 25.416 5.415 170 HD22 LEU 21 HD22 LEU 21 -40.548 24.568 6.974 171 HD23 LEU 21 HD23 LEU 21 -39.589 26.048 6.758 172 H GLY 22 H GLY 22 -43.262 31.193 7.630 173 HA2 GLY 22 HA2 GLY 22 -45.232 31.014 8.966 174 HA3 GLY 22 HA3 GLY 22 -44.260 30.007 10.117 175 H ILE 23 H ILE 23 -42.038 32.326 9.212 176 HA ILE 23 HA ILE 23 -42.799 33.592 11.838 177 HB ILE 23 HB ILE 23 -40.258 34.377 11.686 178 HG12 ILE 23 HG12 ILE 23 -40.223 31.482 10.618 179 HG13 ILE 23 HG13 ILE 23 -39.722 32.961 9.727 180 HG21 ILE 23 HG21 ILE 23 -40.007 32.695 13.614 181 HG22 ILE 23 HG22 ILE 23 -41.320 31.792 12.988 182 HG23 ILE 23 HG23 ILE 23 -41.623 33.442 13.611 183 HD11 ILE 23 HD11 ILE 23 -37.953 33.309 11.540 184 HD12 ILE 23 HD12 ILE 23 -37.708 31.912 10.637 185 HD13 ILE 23 HD13 ILE 23 -38.506 31.686 12.255 186 H SER 24 H SER 24 -42.641 35.839 12.028 187 HA SER 24 HA SER 24 -42.684 37.205 9.365 188 HB2 SER 24 HB2 SER 24 -44.827 37.187 10.526 189 HB3 SER 24 HB3 SER 24 -44.111 38.111 11.862 190 HG SER 24 HG SER 24 -44.162 39.859 10.635 191 H SER 25 H SER 25 -41.981 38.400 12.752 192 HA SER 25 HA SER 25 -39.592 39.755 11.710 193 HB2 SER 25 HB2 SER 25 -41.520 40.205 13.954 194 HB3 SER 25 HB3 SER 25 -39.876 40.717 14.130 195 HG SER 25 HG SER 25 -40.357 41.738 11.798 196 H ASP 26 H ASP 26 -40.684 37.410 14.068 197 HA ASP 26 HA ASP 26 -38.877 37.907 15.948 198 HB2 ASP 26 HB2 ASP 26 -40.754 36.643 16.504 199 HB3 ASP 26 HB3 ASP 26 -40.259 35.302 15.487 200 H VAL 27 H VAL 27 -38.194 34.888 14.104 201 HA VAL 27 HA VAL 27 -35.428 35.281 14.852 202 HB VAL 27 HB VAL 27 -36.192 33.040 13.039 203 HG11 VAL 27 HG11 VAL 27 -33.816 33.295 13.579 204 HG12 VAL 27 HG12 VAL 27 -34.458 31.873 14.385 205 HG13 VAL 27 HG13 VAL 27 -34.190 33.364 15.316 206 HG21 VAL 27 HG21 VAL 27 -37.914 32.905 14.752 207 HG22 VAL 27 HG22 VAL 27 -36.719 33.195 16.034 208 HG23 VAL 27 HG23 VAL 27 -36.688 31.695 15.096 209 H ILE 28 H ILE 28 -37.129 36.264 12.020 210 HA ILE 28 HA ILE 28 -35.010 35.929 10.153 211 HB ILE 28 HB ILE 28 -37.129 38.091 9.895 212 HG12 ILE 28 HG12 ILE 28 -37.363 35.085 9.564 213 HG13 ILE 28 HG13 ILE 28 -38.410 36.175 10.468 214 HG21 ILE 28 HG21 ILE 28 -36.761 37.721 7.489 215 HG22 ILE 28 HG22 ILE 28 -35.665 36.370 7.832 216 HG23 ILE 28 HG23 ILE 28 -35.206 38.030 8.245 217 HD11 ILE 28 HD11 ILE 28 -39.597 35.470 8.519 218 HD12 ILE 28 HD12 ILE 28 -38.251 35.882 7.446 219 HD13 ILE 28 HD13 ILE 28 -39.151 37.169 8.261 220 H GLU 29 H GLU 29 -35.791 38.859 12.151 221 HA GLU 29 HA GLU 29 -33.572 40.163 11.149 222 HB2 GLU 29 HB2 GLU 29 -34.004 41.953 12.593 223 HB3 GLU 29 HB3 GLU 29 -35.568 41.404 11.994 224 HG2 GLU 29 HG2 GLU 29 -36.382 41.142 14.014 225 HG3 GLU 29 HG3 GLU 29 -35.065 40.004 14.685 226 H LYS 30 H LYS 30 -33.934 37.914 13.722 227 HA LYS 30 HA LYS 30 -31.397 38.575 15.074 228 HB2 LYS 30 HB2 LYS 30 -32.973 35.964 15.175 229 HB3 LYS 30 HB3 LYS 30 -31.767 36.502 16.331 230 HG2 LYS 30 HG2 LYS 30 -34.446 37.799 15.786 231 HG3 LYS 30 HG3 LYS 30 -34.102 36.759 17.148 232 HD2 LYS 30 HD2 LYS 30 -32.557 38.504 18.043 233 HD3 LYS 30 HD3 LYS 30 -32.882 39.499 16.598 234 HE2 LYS 30 HE2 LYS 30 -35.367 39.270 17.173 235 HE3 LYS 30 HE3 LYS 30 -34.871 38.653 18.753 236 HZ1 LYS 30 HZ1 LYS 30 -33.663 40.815 19.051 237 HZ2 LYS 30 HZ2 LYS 30 -35.269 41.095 18.719 238 HZ3 LYS 30 HZ3 LYS 30 -34.159 41.276 17.564 239 H ALA 31 H ALA 31 -32.489 36.155 12.694 240 HA ALA 31 HA ALA 31 -30.028 34.939 12.309 241 HB1 ALA 31 HB1 ALA 31 -32.293 34.091 11.682 242 HB2 ALA 31 HB2 ALA 31 -30.956 33.936 10.402 243 HB3 ALA 31 HB3 ALA 31 -32.144 35.171 10.203 244 H ARG 32 H ARG 32 -31.648 37.497 10.208 245 HA ARG 32 HA ARG 32 -29.610 37.539 8.350 246 HB2 ARG 32 HB2 ARG 32 -30.710 39.253 7.413 247 HB3 ARG 32 HB3 ARG 32 -31.924 38.277 8.217 248 HG2 ARG 32 HG2 ARG 32 -31.748 39.929 10.187 249 HG3 ARG 32 HG3 ARG 32 -30.881 41.146 9.231 250 HD2 ARG 32 HD2 ARG 32 -33.742 40.114 8.627 251 HD3 ARG 32 HD3 ARG 32 -33.160 41.673 9.388 252 HE ARG 32 HE ARG 32 -31.986 42.279 7.220 253 HH11 ARG 32 HH11 ARG 32 -35.071 40.857 7.490 254 HH12 ARG 32 HH12 ARG 32 -35.248 40.707 5.697 255 HH21 ARG 32 HH21 ARG 32 -32.392 42.484 5.104 256 HH22 ARG 32 HH22 ARG 32 -33.742 41.733 4.363 257 H ASN 33 H ASN 33 -29.769 39.329 11.363 258 HA ASN 33 HA ASN 33 -27.538 41.040 10.604 259 HB2 ASN 33 HB2 ASN 33 -29.173 40.788 13.161 260 HB3 ASN 33 HB3 ASN 33 -27.839 41.925 12.948 261 HD21 ASN 33 HD21 ASN 33 -31.150 41.730 12.734 262 HD22 ASN 33 HD22 ASN 33 -31.303 43.217 11.785 263 H PHE 34 H PHE 34 -27.720 39.399 13.700 264 HA PHE 34 HA PHE 34 -24.868 38.747 13.539 265 HB2 PHE 34 HB2 PHE 34 -25.108 38.406 16.038 266 HB3 PHE 34 HB3 PHE 34 -25.212 40.013 15.366 267 HD1 PHE 34 HD1 PHE 34 -27.788 37.267 15.850 268 HD2 PHE 34 HD2 PHE 34 -26.660 41.368 16.580 269 HE1 PHE 34 HE1 PHE 34 -29.952 37.661 16.966 270 HE2 PHE 34 HE2 PHE 34 -28.827 41.757 17.712 271 HZ PHE 34 HZ PHE 34 -30.477 39.916 17.914 272 H LYS 35 H LYS 35 -27.589 36.987 12.963 273 HA LYS 35 HA LYS 35 -28.122 34.819 12.947 274 HB2 LYS 35 HB2 LYS 35 -26.412 33.313 11.907 275 HB3 LYS 35 HB3 LYS 35 -26.979 34.657 11.026 276 HG2 LYS 35 HG2 LYS 35 -24.307 34.722 12.455 277 HG3 LYS 35 HG3 LYS 35 -24.529 34.025 10.867 278 HD2 LYS 35 HD2 LYS 35 -24.885 36.952 11.568 279 HD3 LYS 35 HD3 LYS 35 -23.611 36.217 10.622 280 HE2 LYS 35 HE2 LYS 35 -25.227 35.628 8.846 281 HE3 LYS 35 HE3 LYS 35 -26.560 36.295 9.805 282 HZ1 LYS 35 HZ1 LYS 35 -25.627 37.811 8.064 283 HZ2 LYS 35 HZ2 LYS 35 -24.253 37.904 8.871 284 HZ3 LYS 35 HZ3 LYS 35 -25.631 38.480 9.578 285 H ILE 36 H ILE 36 -27.126 32.390 13.380 286 HA ILE 36 HA ILE 36 -27.732 32.298 16.206 287 HB ILE 36 HB ILE 36 -28.450 30.386 13.963 288 HG12 ILE 36 HG12 ILE 36 -29.468 32.272 13.151 289 HG13 ILE 36 HG13 ILE 36 -30.676 31.348 13.956 290 HG21 ILE 36 HG21 ILE 36 -28.831 29.348 16.219 291 HG22 ILE 36 HG22 ILE 36 -30.481 29.912 15.660 292 HG23 ILE 36 HG23 ILE 36 -29.635 30.922 16.728 293 HD11 ILE 36 HD11 ILE 36 -29.542 33.824 15.504 294 HD12 ILE 36 HD12 ILE 36 -30.688 32.782 16.042 295 HD13 ILE 36 HD13 ILE 36 -31.160 33.663 14.605 296 H VAL 37 H VAL 37 -26.858 30.767 17.425 297 HA VAL 37 HA VAL 37 -24.622 29.327 16.355 298 HB VAL 37 HB VAL 37 -25.189 30.156 19.196 299 HG11 VAL 37 HG11 VAL 37 -22.719 28.716 18.000 300 HG12 VAL 37 HG12 VAL 37 -23.805 27.945 19.290 301 HG13 VAL 37 HG13 VAL 37 -22.884 29.503 19.616 302 HG21 VAL 37 HG21 VAL 37 -24.598 32.094 17.886 303 HG22 VAL 37 HG22 VAL 37 -23.160 31.181 17.175 304 HG23 VAL 37 HG23 VAL 37 -23.297 31.670 18.943 305 H THR 38 H THR 38 -24.642 26.981 16.502 306 HA THR 38 HA THR 38 -26.984 25.863 17.964 307 HB THR 38 HB THR 38 -25.736 24.550 15.616 308 HG1 THR 38 HG1 THR 38 -27.396 25.541 14.457 309 HG21 THR 38 HG21 THR 38 -28.544 24.339 16.766 310 HG22 THR 38 HG22 THR 38 -27.262 23.141 17.036 311 HG23 THR 38 HG23 THR 38 -27.873 23.423 15.412 312 H GLU 39 H GLU 39 -26.972 24.193 19.293 313 HA GLU 39 HA GLU 39 -24.457 22.841 19.834 314 HB2 GLU 39 HB2 GLU 39 -26.811 23.499 21.608 315 HB3 GLU 39 HB3 GLU 39 -25.381 22.465 22.148 316 HG2 GLU 39 HG2 GLU 39 -23.787 24.193 21.796 317 HG3 GLU 39 HG3 GLU 39 -25.157 25.394 21.389 318 H VAL 40 H VAL 40 -24.640 20.648 19.642 319 HA VAL 40 HA VAL 40 -27.333 19.485 19.103 320 HB VAL 40 HB VAL 40 -24.834 18.709 17.635 321 HG11 VAL 40 HG11 VAL 40 -27.759 18.646 16.811 322 HG12 VAL 40 HG12 VAL 40 -26.797 17.246 17.333 323 HG13 VAL 40 HG13 VAL 40 -26.377 18.082 15.847 324 HG21 VAL 40 HG21 VAL 40 -26.660 20.889 16.618 325 HG22 VAL 40 HG22 VAL 40 -25.149 20.230 15.917 326 HG23 VAL 40 HG23 VAL 40 -25.060 21.200 17.342 327 H GLN 41 H GLN 41 -27.722 17.332 19.528 328 HA GLN 41 HA GLN 41 -25.384 15.642 20.188 329 HB2 GLN 41 HB2 GLN 41 -26.462 16.537 22.354 330 HB3 GLN 41 HB3 GLN 41 -27.914 15.780 22.029 331 HG2 GLN 41 HG2 GLN 41 -25.099 14.422 22.450 332 HG3 GLN 41 HG3 GLN 41 -26.483 14.568 23.722 333 HE21 GLN 41 HE21 GLN 41 -24.917 12.221 22.587 334 HE22 GLN 41 HE22 GLN 41 -26.199 11.134 22.373 335 H GLN 42 H GLN 42 -25.699 13.423 19.203 336 HA GLN 42 HA GLN 42 -28.520 12.602 18.769 337 HB2 GLN 42 HB2 GLN 42 -27.886 13.741 16.638 338 HB3 GLN 42 HB3 GLN 42 -26.490 12.661 16.498 339 HG2 GLN 42 HG2 GLN 42 -28.144 10.694 16.461 340 HG3 GLN 42 HG3 GLN 42 -29.432 11.897 16.404 341 HE21 GLN 42 HE21 GLN 42 -29.578 10.112 14.479 342 HE22 GLN 42 HE22 GLN 42 -29.009 10.805 12.977 343 H ASP 43 H ASP 43 -28.881 10.420 18.999 344 HA ASP 43 HA ASP 43 -26.528 8.613 18.783 345 HB2 ASP 43 HB2 ASP 43 -26.815 9.324 21.175 346 HB3 ASP 43 HB3 ASP 43 -28.417 8.576 21.163 347 H GLY 44 H GLY 44 -27.290 7.778 16.883 348 HA2 GLY 44 HA2 GLY 44 -28.413 6.341 15.579 349 HA3 GLY 44 HA3 GLY 44 -29.445 5.817 16.958 350 H GLN 45 H GLN 45 -31.352 6.342 17.103 351 HA GLN 45 HA GLN 45 -32.581 8.020 14.969 352 HB2 GLN 45 HB2 GLN 45 -33.910 6.154 16.977 353 HB3 GLN 45 HB3 GLN 45 -34.707 7.134 15.738 354 HG2 GLN 45 HG2 GLN 45 -33.483 5.849 13.967 355 HG3 GLN 45 HG3 GLN 45 -32.812 4.817 15.223 356 HE21 GLN 45 HE21 GLN 45 -36.157 6.023 14.200 357 HE22 GLN 45 HE22 GLN 45 -36.863 4.501 14.724 358 H ASP 46 H ASP 46 -31.613 8.122 18.401 359 HA ASP 46 HA ASP 46 -33.695 10.161 18.936 360 HB2 ASP 46 HB2 ASP 46 -33.022 8.448 20.721 361 HB3 ASP 46 HB3 ASP 46 -31.482 9.319 20.839 362 H PHE 47 H PHE 47 -33.139 12.237 19.526 363 HA PHE 47 HA PHE 47 -30.673 13.366 18.448 364 HB2 PHE 47 HB2 PHE 47 -31.512 12.912 16.385 365 HB3 PHE 47 HB3 PHE 47 -33.174 13.099 16.874 366 HD1 PHE 47 HD2 PHE 47 -34.063 15.437 17.424 367 HD2 PHE 47 HD1 PHE 47 -30.492 14.684 15.139 368 HE1 PHE 47 HE2 PHE 47 -34.183 17.732 16.491 369 HE2 PHE 47 HE1 PHE 47 -30.689 16.931 14.093 370 HZ PHE 47 HZ PHE 47 -32.542 18.450 14.785 371 H THR 48 H THR 48 -30.184 15.447 18.970 372 HA THR 48 HA THR 48 -32.429 17.224 19.849 373 HB THR 48 HB THR 48 -29.896 16.531 21.381 374 HG1 THR 48 HG1 THR 48 -31.921 15.521 21.819 375 HG21 THR 48 HG21 THR 48 -29.829 18.950 21.406 376 HG22 THR 48 HG22 THR 48 -30.488 18.407 22.947 377 HG23 THR 48 HG23 THR 48 -31.582 19.050 21.687 378 H TRP 49 H TRP 49 -32.374 19.001 18.734 379 HA TRP 49 HA TRP 49 -29.755 20.259 18.023 380 HB2 TRP 49 HB2 TRP 49 -30.964 19.423 16.100 381 HB3 TRP 49 HB3 TRP 49 -32.415 20.311 16.556 382 HD1 TRP 49 HD1 TRP 49 -31.029 23.199 16.886 383 HE1 TRP 49 HE1 TRP 49 -30.424 24.477 14.752 384 HE3 TRP 49 HE3 TRP 49 -30.873 19.293 13.574 385 HZ2 TRP 49 HZ2 TRP 49 -30.171 23.939 11.947 386 HZ3 TRP 49 HZ3 TRP 49 -30.595 19.742 11.159 387 HH2 TRP 49 HH2 TRP 49 -30.243 22.039 10.341 388 H SER 50 H SER 50 -29.478 22.248 18.872 389 HA SER 50 HA SER 50 -31.753 23.716 19.981 390 HB2 SER 50 HB2 SER 50 -30.728 22.359 21.888 391 HB3 SER 50 HB3 SER 50 -29.231 23.366 21.742 392 HG SER 50 HG SER 50 -31.806 24.430 22.379 393 H GLN 51 H GLN 51 -31.664 25.667 19.410 394 HA GLN 51 HA GLN 51 -29.246 26.879 18.171 395 HB2 GLN 51 HB2 GLN 51 -32.178 27.571 17.902 396 HB3 GLN 51 HB3 GLN 51 -30.855 28.241 16.980 397 HG2 GLN 51 HG2 GLN 51 -31.584 26.787 15.430 398 HG3 GLN 51 HG3 GLN 51 -30.537 25.673 16.290 399 HE21 GLN 51 HE21 GLN 51 -33.250 25.457 14.708 400 HE22 GLN 51 HE22 GLN 51 -34.018 24.249 15.707 401 H HIS 52 H HIS 52 -28.568 28.871 18.810 402 HA HIS 52 HA HIS 52 -30.047 30.346 20.955 403 HB2 HIS 52 HB2 HIS 52 -27.038 29.948 20.806 404 HB3 HIS 52 HB3 HIS 52 -27.954 30.660 22.135 405 HD1 HIS 52 HD1 HIS 52 -30.084 28.331 22.594 406 HD2 HIS 52 HD2 HIS 52 -25.935 27.864 22.023 407 HE1 HIS 52 HE1 HIS 52 -29.440 26.069 23.668 408 H TYR 53 H TYR 53 -30.579 32.384 20.183 409 HA TYR 53 HA TYR 53 -29.329 33.520 17.775 410 HB2 TYR 53 HB2 TYR 53 -30.534 35.209 19.987 411 HB3 TYR 53 HB3 TYR 53 -30.434 35.569 18.283 412 HD1 TYR 53 HD1 TYR 53 -31.964 32.537 17.878 413 HD2 TYR 53 HD2 TYR 53 -32.675 36.331 19.813 414 HE1 TYR 53 HE1 TYR 53 -34.426 32.187 17.720 415 HE2 TYR 53 HE2 TYR 53 -35.140 35.935 19.662 416 HH TYR 53 HH TYR 53 -36.857 34.364 18.244 417 H SER 54 H SER 54 -27.425 34.852 17.805 418 HA SER 54 HA SER 54 -25.759 35.347 20.070 419 HB2 SER 54 HB2 SER 54 -26.051 37.358 17.801 420 HB3 SER 54 HB3 SER 54 -24.577 37.101 18.897 421 HG SER 54 HG SER 54 -25.536 35.553 16.843 422 H GLY 55 H GLY 55 -28.688 36.900 19.348 423 HA2 GLY 55 HA2 GLY 55 -28.357 38.916 21.385 424 HA3 GLY 55 HA3 GLY 55 -29.831 38.393 20.512 425 H GLY 56 H GLY 56 -28.482 35.737 22.026 426 HA2 GLY 56 HA2 GLY 56 -28.417 34.866 24.149 427 HA3 GLY 56 HA3 GLY 56 -29.115 36.345 24.796 428 H HIS 57 H HIS 57 -30.839 34.499 22.332 429 HA HIS 57 HA HIS 57 -32.703 33.417 24.418 430 HB2 HIS 57 HB2 HIS 57 -33.863 35.215 23.258 431 HB3 HIS 57 HB3 HIS 57 -33.417 34.531 21.704 432 HD1 HIS 57 HD1 HIS 57 -35.476 33.349 20.579 433 HD2 HIS 57 HD2 HIS 57 -35.410 33.162 24.809 434 HE1 HIS 57 HE1 HIS 57 -37.524 32.012 21.253 435 H THR 58 H THR 58 -33.426 31.327 24.159 436 HA THR 58 HA THR 58 -31.964 29.640 22.173 437 HB THR 58 HB THR 58 -32.999 29.110 24.981 438 HG1 THR 58 HG1 THR 58 -30.878 28.924 25.395 439 HG21 THR 58 HG21 THR 58 -31.836 27.083 23.022 440 HG22 THR 58 HG22 THR 58 -33.411 27.010 23.833 441 HG23 THR 58 HG23 THR 58 -31.935 26.840 24.781 442 H MET 59 H MET 59 -33.009 28.165 20.988 443 HA MET 59 HA MET 59 -35.691 27.284 21.800 444 HB2 MET 59 HB2 MET 59 -36.487 27.064 19.513 445 HB3 MET 59 HB3 MET 59 -36.226 28.748 19.949 446 HG2 MET 59 HG2 MET 59 -34.209 27.133 18.355 447 HG3 MET 59 HG3 MET 59 -35.546 27.983 17.623 448 HE1 MET 59 HE1 MET 59 -34.623 29.934 16.128 449 HE2 MET 59 HE2 MET 59 -33.299 28.762 16.188 450 HE3 MET 59 HE3 MET 59 -32.967 30.498 16.393 451 H THR 60 H THR 60 -36.167 25.101 20.812 452 HA THR 60 HA THR 60 -33.858 23.474 20.430 453 HB THR 60 HB THR 60 -35.138 21.684 21.859 454 HG1 THR 60 HG1 THR 60 -35.850 24.135 23.103 455 HG21 THR 60 HG21 THR 60 -32.914 22.552 22.220 456 HG22 THR 60 HG22 THR 60 -33.854 22.108 23.655 457 HG23 THR 60 HG23 THR 60 -33.677 23.820 23.324 458 H ASN 61 H ASN 61 -34.297 21.805 19.058 459 HA ASN 61 HA ASN 61 -37.144 20.965 18.685 460 HB2 ASN 61 HB2 ASN 61 -35.498 20.419 16.222 461 HB3 ASN 61 HB3 ASN 61 -37.176 20.858 16.403 462 HD21 ASN 61 HD21 ASN 61 -37.216 23.356 17.448 463 HD22 ASN 61 HD22 ASN 61 -36.630 24.458 16.265 464 H LYS 62 H LYS 62 -37.595 18.873 19.059 465 HA LYS 62 HA LYS 62 -35.289 16.964 19.120 466 HB2 LYS 62 HB2 LYS 62 -37.103 17.579 21.489 467 HB3 LYS 62 HB3 LYS 62 -36.038 16.175 21.366 468 HG2 LYS 62 HG2 LYS 62 -34.075 17.687 21.197 469 HG3 LYS 62 HG3 LYS 62 -35.140 19.089 21.449 470 HD2 LYS 62 HD2 LYS 62 -35.835 18.214 23.628 471 HD3 LYS 62 HD3 LYS 62 -34.885 16.727 23.365 472 HE2 LYS 62 HE2 LYS 62 -32.819 18.019 23.251 473 HE3 LYS 62 HE3 LYS 62 -33.706 19.536 23.474 474 HZ1 LYS 62 HZ1 LYS 62 -34.396 18.695 25.657 475 HZ2 LYS 62 HZ2 LYS 62 -32.746 18.685 25.555 476 HZ3 LYS 62 HZ3 LYS 62 -33.583 17.284 25.400 477 H PHE 63 H PHE 63 -35.781 14.973 18.448 478 HA PHE 63 HA PHE 63 -38.332 13.715 18.952 479 HB2 PHE 63 HB2 PHE 63 -38.894 13.313 16.533 480 HB3 PHE 63 HB3 PHE 63 -39.060 14.987 17.029 481 HD1 PHE 63 HD1 PHE 63 -37.609 16.745 16.202 482 HD2 PHE 63 HD2 PHE 63 -36.972 12.651 15.055 483 HE1 PHE 63 HE1 PHE 63 -35.788 17.431 14.680 484 HE2 PHE 63 HE2 PHE 63 -35.133 13.339 13.556 485 HZ PHE 63 HZ PHE 63 -34.505 15.731 13.394 486 H THR 64 H THR 64 -38.377 11.471 18.317 487 HA THR 64 HA THR 64 -35.856 10.182 17.616 488 HB THR 64 HB THR 64 -38.459 8.721 17.513 489 HG1 THR 64 HG1 THR 64 -37.111 9.426 19.876 490 HG21 THR 64 HG21 THR 64 -36.538 7.412 16.963 491 HG22 THR 64 HG22 THR 64 -37.077 6.925 18.568 492 HG23 THR 64 HG23 THR 64 -35.649 7.972 18.406 493 H VAL 65 H VAL 65 -35.129 9.724 15.500 494 HA VAL 65 HA VAL 65 -36.631 10.685 13.314 495 HB VAL 65 HB VAL 65 -34.077 10.182 13.565 496 HG11 VAL 65 HG11 VAL 65 -34.521 7.668 13.534 497 HG12 VAL 65 HG12 VAL 65 -33.264 8.261 12.441 498 HG13 VAL 65 HG13 VAL 65 -34.865 7.820 11.810 499 HG21 VAL 65 HG21 VAL 65 -35.101 11.466 11.761 500 HG22 VAL 65 HG22 VAL 65 -35.534 9.957 10.904 501 HG23 VAL 65 HG23 VAL 65 -33.846 10.376 11.173 502 H GLY 66 H GLY 66 -37.626 9.694 11.418 503 HA2 GLY 66 HA2 GLY 66 -39.031 8.194 10.391 504 HA3 GLY 66 HA3 GLY 66 -38.466 6.919 11.478 505 H LYS 67 H LYS 67 -39.551 9.569 13.203 506 HA LYS 67 HA LYS 67 -42.242 8.548 13.652 507 HB2 LYS 67 HB2 LYS 67 -40.356 8.206 15.422 508 HB3 LYS 67 HB3 LYS 67 -40.606 9.879 15.849 509 HG2 LYS 67 HG2 LYS 67 -43.001 9.401 16.426 510 HG3 LYS 67 HG3 LYS 67 -42.805 7.645 15.990 511 HD2 LYS 67 HD2 LYS 67 -41.091 7.403 17.811 512 HD3 LYS 67 HD3 LYS 67 -41.264 9.213 18.038 513 HE2 LYS 67 HE2 LYS 67 -42.227 8.098 19.818 514 HE3 LYS 67 HE3 LYS 67 -43.463 8.972 19.019 515 HZ1 LYS 67 HZ1 LYS 67 -44.218 6.939 17.894 516 HZ2 LYS 67 HZ2 LYS 67 -44.088 6.608 19.529 517 HZ3 LYS 67 HZ3 LYS 67 -42.932 6.018 18.367 518 H GLU 68 H GLU 68 -43.676 10.189 14.343 519 HA GLU 68 HA GLU 68 -43.191 12.781 12.970 520 HB2 GLU 68 HB2 GLU 68 -44.728 11.090 11.948 521 HB3 GLU 68 HB3 GLU 68 -45.781 11.212 13.352 522 HG2 GLU 68 HG2 GLU 68 -46.539 13.326 12.773 523 HG3 GLU 68 HG3 GLU 68 -45.031 13.762 11.998 524 H SER 69 H SER 69 -44.871 14.484 13.762 525 HA SER 69 HA SER 69 -45.889 15.793 15.305 526 HB2 SER 69 HB2 SER 69 -46.511 13.108 16.565 527 HB3 SER 69 HB3 SER 69 -47.289 14.633 16.998 528 HG SER 69 HG SER 69 -47.344 13.300 14.501 529 H ASN 70 H ASN 70 -43.093 15.720 15.818 530 HA ASN 70 HA ASN 70 -42.901 16.402 18.564 531 HB2 ASN 70 HB2 ASN 70 -41.379 14.008 17.294 532 HB3 ASN 70 HB3 ASN 70 -40.774 14.931 18.718 533 HD21 ASN 70 HD21 ASN 70 -43.392 12.716 17.527 534 HD22 ASN 70 HD22 ASN 70 -43.935 12.268 19.068 535 H ILE 71 H ILE 71 -42.814 17.601 15.786 536 HA ILE 71 HA ILE 71 -39.965 18.079 15.388 537 HB ILE 71 HB ILE 71 -42.259 17.586 13.479 538 HG12 ILE 71 HG12 ILE 71 -40.215 16.712 12.190 539 HG13 ILE 71 HG13 ILE 71 -39.303 16.809 13.785 540 HG21 ILE 71 HG21 ILE 71 -41.804 19.796 12.798 541 HG22 ILE 71 HG22 ILE 71 -40.965 18.690 11.590 542 HG23 ILE 71 HG23 ILE 71 -40.037 19.591 12.839 543 HD11 ILE 71 HD11 ILE 71 -40.874 15.428 14.948 544 HD12 ILE 71 HD12 ILE 71 -40.284 14.652 13.476 545 HD13 ILE 71 HD13 ILE 71 -41.989 15.317 13.495 546 H GLN 72 H GLN 72 -39.358 20.425 15.106 547 HA GLN 72 HA GLN 72 -41.470 22.365 15.477 548 HB2 GLN 72 HB2 GLN 72 -39.110 21.719 17.278 549 HB3 GLN 72 HB3 GLN 72 -39.684 23.444 17.304 550 HG2 GLN 72 HG2 GLN 72 -41.848 22.697 18.131 551 HG3 GLN 72 HG3 GLN 72 -41.191 20.956 17.934 552 HE21 GLN 72 HE21 GLN 72 -41.437 23.572 20.316 553 HE22 GLN 72 HE22 GLN 72 -40.307 22.675 21.344 554 H THR 73 H THR 73 -40.750 24.537 15.117 555 HA THR 73 HA THR 73 -38.941 24.821 12.873 556 HB THR 73 HB THR 73 -40.022 27.072 12.565 557 HG1 THR 73 HG1 THR 73 -41.560 27.682 13.994 558 HG21 THR 73 HG21 THR 73 -41.962 24.689 12.973 559 HG22 THR 73 HG22 THR 73 -40.865 25.060 11.543 560 HG23 THR 73 HG23 THR 73 -42.224 26.164 12.119 561 H MET 74 H MET 74 -38.109 27.372 12.907 562 HA MET 74 HA MET 74 -36.055 27.641 15.010 563 HB2 MET 74 HB2 MET 74 -36.860 29.455 12.693 564 HB3 MET 74 HB3 MET 74 -35.711 29.913 13.935 565 HG2 MET 74 HG2 MET 74 -35.407 27.718 11.938 566 HG3 MET 74 HG3 MET 74 -34.495 29.214 12.031 567 HE1 MET 74 HE1 MET 74 -32.233 27.810 11.751 568 HE2 MET 74 HE2 MET 74 -31.718 26.515 12.846 569 HE3 MET 74 HE3 MET 74 -33.082 26.240 11.747 570 H GLY 75 H GLY 75 -39.290 29.135 14.287 571 HA2 GLY 75 HA2 GLY 75 -39.177 30.959 16.457 572 HA3 GLY 75 HA3 GLY 75 -40.550 30.448 15.479 573 H GLY 76 H GLY 76 -39.484 27.527 16.187 574 HA2 GLY 76 HA2 GLY 76 -39.934 25.933 17.779 575 HA3 GLY 76 HA3 GLY 76 -40.326 27.159 18.986 576 H LYS 77 H LYS 77 -42.063 26.995 15.925 577 HA LYS 77 HA LYS 77 -44.556 26.154 17.217 578 HB2 LYS 77 HB2 LYS 77 -44.369 27.803 15.313 579 HB3 LYS 77 HB3 LYS 77 -43.750 26.502 14.295 580 HG2 LYS 77 HG2 LYS 77 -45.960 25.277 14.680 581 HG3 LYS 77 HG3 LYS 77 -46.542 26.764 15.457 582 HD2 LYS 77 HD2 LYS 77 -45.909 27.998 13.296 583 HD3 LYS 77 HD3 LYS 77 -45.495 26.430 12.600 584 HE2 LYS 77 HE2 LYS 77 -47.686 26.928 11.836 585 HE3 LYS 77 HE3 LYS 77 -47.850 25.656 13.058 586 HZ1 LYS 77 HZ1 LYS 77 -49.485 27.425 13.392 587 HZ2 LYS 77 HZ2 LYS 77 -48.298 28.558 13.494 588 HZ3 LYS 77 HZ3 LYS 77 -48.432 27.413 14.662 589 H THR 78 H THR 78 -45.348 23.953 17.308 590 HA THR 78 HA THR 78 -43.572 21.815 16.365 591 HB THR 78 HB THR 78 -46.415 21.701 17.736 592 HG1 THR 78 HG1 THR 78 -44.845 22.323 18.996 593 HG21 THR 78 HG21 THR 78 -46.416 19.571 16.408 594 HG22 THR 78 HG22 THR 78 -45.831 19.066 17.951 595 HG23 THR 78 HG23 THR 78 -44.611 19.357 16.725 596 H PHE 79 H PHE 79 -44.049 20.457 14.469 597 HA PHE 79 HA PHE 79 -46.766 20.533 13.413 598 HB2 PHE 79 HB2 PHE 79 -46.229 20.698 11.069 599 HB3 PHE 79 HB3 PHE 79 -45.833 22.158 11.941 600 HD1 PHE 79 HD2 PHE 79 -43.332 22.611 12.557 601 HD2 PHE 79 HD1 PHE 79 -44.640 19.708 9.635 602 HE1 PHE 79 HE2 PHE 79 -41.098 22.674 11.472 603 HE2 PHE 79 HE1 PHE 79 -42.422 19.812 8.546 604 HZ PHE 79 HZ PHE 79 -40.645 21.292 9.466 605 H LYS 80 H LYS 80 -47.194 18.687 11.851 606 HA LYS 80 HA LYS 80 -45.966 16.356 13.148 607 HB2 LYS 80 HB2 LYS 80 -48.549 16.584 11.598 608 HB3 LYS 80 HB3 LYS 80 -47.982 15.184 12.736 609 HG2 LYS 80 HG2 LYS 80 -48.042 16.830 14.669 610 HG3 LYS 80 HG3 LYS 80 -48.855 17.968 13.505 611 HD2 LYS 80 HD2 LYS 80 -50.261 15.704 13.132 612 HD3 LYS 80 HD3 LYS 80 -49.646 15.457 14.840 613 HE2 LYS 80 HE2 LYS 80 -50.727 18.143 14.090 614 HE3 LYS 80 HE3 LYS 80 -51.975 16.771 14.276 615 HZ1 LYS 80 HZ1 LYS 80 -50.035 17.934 16.246 616 HZ2 LYS 80 HZ2 LYS 80 -50.889 16.489 16.566 617 HZ3 LYS 80 HZ3 LYS 80 -51.684 18.001 16.312 618 H ALA 81 H ALA 81 -44.036 16.448 11.788 619 HA ALA 81 HA ALA 81 -44.412 15.315 9.083 620 HB1 ALA 81 HB1 ALA 81 -43.391 17.336 8.507 621 HB2 ALA 81 HB2 ALA 81 -41.853 16.542 8.908 622 HB3 ALA 81 HB3 ALA 81 -42.618 17.496 10.181 623 H THR 82 H THR 82 -43.050 13.721 8.358 624 HA THR 82 HA THR 82 -41.793 12.080 10.508 625 HB THR 82 HB THR 82 -42.660 11.207 7.822 626 HG1 THR 82 HG1 THR 82 -44.268 11.468 9.440 627 HG21 THR 82 HG21 THR 82 -41.378 9.823 10.344 628 HG22 THR 82 HG22 THR 82 -40.418 10.035 8.819 629 HG23 THR 82 HG23 THR 82 -41.837 8.958 8.831 630 H VAL 83 H VAL 83 -39.611 12.182 10.744 631 HA VAL 83 HA VAL 83 -38.181 13.427 8.550 632 HB VAL 83 HB VAL 83 -37.018 12.677 11.351 633 HG11 VAL 83 HG11 VAL 83 -35.129 12.955 9.852 634 HG12 VAL 83 HG12 VAL 83 -35.143 14.488 10.845 635 HG13 VAL 83 HG13 VAL 83 -35.719 14.478 9.189 636 HG21 VAL 83 HG21 VAL 83 -37.997 15.441 10.589 637 HG22 VAL 83 HG22 VAL 83 -37.426 15.146 12.204 638 HG23 VAL 83 HG23 VAL 83 -38.935 14.368 11.698 639 H GLN 84 H GLN 84 -36.650 12.438 7.359 640 HA GLN 84 HA GLN 84 -36.151 9.539 7.979 641 HB2 GLN 84 HB2 GLN 84 -36.165 9.086 5.549 642 HB3 GLN 84 HB3 GLN 84 -37.740 9.560 6.204 643 HG2 GLN 84 HG2 GLN 84 -37.488 11.823 5.334 644 HG3 GLN 84 HG3 GLN 84 -35.834 11.460 4.797 645 HE21 GLN 84 HE21 GLN 84 -38.272 8.966 4.178 646 HE22 GLN 84 HE22 GLN 84 -38.508 9.468 2.508 647 H MET 85 H MET 85 -34.208 8.698 6.977 648 HA MET 85 HA MET 85 -31.947 10.647 7.052 649 HB2 MET 85 HB2 MET 85 -32.003 7.766 8.031 650 HB3 MET 85 HB3 MET 85 -30.589 8.825 7.967 651 HG2 MET 85 HG2 MET 85 -31.953 10.452 9.403 652 HG3 MET 85 HG3 MET 85 -33.049 9.085 9.677 653 HE1 MET 85 HE1 MET 85 -29.714 10.850 10.643 654 HE2 MET 85 HE2 MET 85 -29.145 9.645 9.477 655 HE3 MET 85 HE3 MET 85 -28.695 9.492 11.184 656 H GLU 86 H GLU 86 -31.982 10.946 4.762 657 HA GLU 86 HA GLU 86 -31.336 8.689 2.979 658 HB2 GLU 86 HB2 GLU 86 -31.371 11.702 2.574 659 HB3 GLU 86 HB3 GLU 86 -30.977 10.547 1.309 660 HG2 GLU 86 HG2 GLU 86 -33.655 10.537 2.773 661 HG3 GLU 86 HG3 GLU 86 -33.336 11.495 1.335 662 H GLY 87 H GLY 87 -29.410 7.734 3.590 663 HA2 GLY 87 HA2 GLY 87 -27.095 7.472 3.660 664 HA3 GLY 87 HA3 GLY 87 -26.978 9.000 2.777 665 H GLY 88 H GLY 88 -28.274 8.541 6.070 666 HA2 GLY 88 HA2 GLY 88 -27.545 9.347 8.132 667 HA3 GLY 88 HA3 GLY 88 -26.057 9.930 7.377 668 H LYS 89 H LYS 89 -28.432 11.174 5.496 669 HA LYS 89 HA LYS 89 -28.200 13.829 6.734 670 HB2 LYS 89 HB2 LYS 89 -29.299 13.268 3.849 671 HB3 LYS 89 HB3 LYS 89 -28.883 14.834 4.603 672 HG2 LYS 89 HG2 LYS 89 -26.447 14.024 4.472 673 HG3 LYS 89 HG3 LYS 89 -27.001 12.404 3.968 674 HD2 LYS 89 HD2 LYS 89 -26.186 14.047 2.103 675 HD3 LYS 89 HD3 LYS 89 -27.528 13.067 1.745 676 HE2 LYS 89 HE2 LYS 89 -29.185 14.914 1.903 677 HE3 LYS 89 HE3 LYS 89 -27.950 15.919 2.799 678 HZ1 LYS 89 HZ1 LYS 89 -28.182 16.582 0.536 679 HZ2 LYS 89 HZ2 LYS 89 -27.388 15.142 0.071 680 HZ3 LYS 89 HZ3 LYS 89 -26.599 16.214 1.085 681 H LEU 90 H LEU 90 -29.900 14.588 7.873 682 HA LEU 90 HA LEU 90 -32.382 13.039 7.709 683 HB2 LEU 90 HB2 LEU 90 -31.453 15.300 9.307 684 HB3 LEU 90 HB3 LEU 90 -33.057 14.546 9.540 685 HG LEU 90 HG LEU 90 -30.621 12.802 9.819 686 HD11 LEU 90 HD11 LEU 90 -30.157 13.549 12.115 687 HD12 LEU 90 HD12 LEU 90 -31.342 14.864 11.954 688 HD13 LEU 90 HD13 LEU 90 -29.870 14.883 10.981 689 HD21 LEU 90 HD21 LEU 90 -33.009 12.139 10.215 690 HD22 LEU 90 HD22 LEU 90 -33.046 13.225 11.615 691 HD23 LEU 90 HD23 LEU 90 -31.930 11.841 11.605 692 H VAL 91 H VAL 91 -34.451 14.033 7.022 693 HA VAL 91 HA VAL 91 -34.598 16.422 5.521 694 HB VAL 91 HB VAL 91 -34.255 15.330 3.458 695 HG11 VAL 91 HG11 VAL 91 -33.419 12.879 3.349 696 HG12 VAL 91 HG12 VAL 91 -33.783 12.700 5.105 697 HG13 VAL 91 HG13 VAL 91 -32.582 13.872 4.505 698 HG21 VAL 91 HG21 VAL 91 -36.565 13.531 4.153 699 HG22 VAL 91 HG22 VAL 91 -35.664 13.724 2.575 700 HG23 VAL 91 HG23 VAL 91 -36.582 15.124 3.239 701 H VAL 92 H VAL 92 -36.787 17.032 5.056 702 HA VAL 92 HA VAL 92 -38.911 15.200 6.139 703 HB VAL 92 HB VAL 92 -40.222 17.247 6.822 704 HG11 VAL 92 HG11 VAL 92 -39.266 15.673 8.421 705 HG12 VAL 92 HG12 VAL 92 -39.245 17.329 9.053 706 HG13 VAL 92 HG13 VAL 92 -37.744 16.588 8.436 707 HG21 VAL 92 HG21 VAL 92 -39.096 19.277 7.474 708 HG22 VAL 92 HG22 VAL 92 -38.771 18.996 5.753 709 HG23 VAL 92 HG23 VAL 92 -37.524 18.637 6.967 710 H ASN 93 H ASN 93 -41.067 15.585 5.108 711 HA ASN 93 HA ASN 93 -40.941 17.105 2.615 712 HB2 ASN 93 HB2 ASN 93 -41.811 14.195 2.980 713 HB3 ASN 93 HB3 ASN 93 -41.920 15.099 1.397 714 HD21 ASN 93 HD21 ASN 93 -39.959 12.883 3.177 715 HD22 ASN 93 HD22 ASN 93 -38.437 13.222 2.444 716 H PHE 94 H PHE 94 -42.911 18.139 2.326 717 HA PHE 94 HA PHE 94 -45.311 17.411 3.933 718 HB2 PHE 94 HB2 PHE 94 -43.393 19.037 5.085 719 HB3 PHE 94 HB3 PHE 94 -44.187 20.220 4.061 720 HD1 PHE 94 HD2 PHE 94 -45.393 17.406 6.286 721 HD2 PHE 94 HD1 PHE 94 -45.466 21.632 5.409 722 HE1 PHE 94 HE2 PHE 94 -46.979 17.763 8.150 723 HE2 PHE 94 HE1 PHE 94 -47.038 21.993 7.284 724 HZ PHE 94 HZ PHE 94 -47.814 20.061 8.654 725 HA PRO 95 HA PRO 95 -47.186 18.813 0.219 726 HB2 PRO 95 HB2 PRO 95 -48.720 20.944 1.730 727 HB3 PRO 95 HB3 PRO 95 -49.320 19.788 0.496 728 HG2 PRO 95 HG2 PRO 95 -49.706 19.247 3.110 729 HG3 PRO 95 HG3 PRO 95 -49.114 17.945 2.027 730 HD2 PRO 95 HD2 PRO 95 -47.531 19.666 3.946 731 HD3 PRO 95 HD3 PRO 95 -47.422 17.903 3.651 732 H ASN 96 H ASN 96 -46.062 21.668 2.037 733 HA ASN 96 HA ASN 96 -45.307 22.981 -0.513 734 HB2 ASN 96 HB2 ASN 96 -45.361 25.041 0.763 735 HB3 ASN 96 HB3 ASN 96 -46.877 24.187 1.016 736 HD21 ASN 96 HD21 ASN 96 -45.455 26.251 2.735 737 HD22 ASN 96 HD22 ASN 96 -45.390 25.435 4.288 738 H TYR 97 H TYR 97 -43.652 20.895 1.567 739 HA TYR 97 HA TYR 97 -41.266 22.659 1.574 740 HB2 TYR 97 HB2 TYR 97 -42.558 23.163 3.631 741 HB3 TYR 97 HB3 TYR 97 -42.417 21.473 4.116 742 HD1 TYR 97 HD1 TYR 97 -40.156 24.078 2.765 743 HD2 TYR 97 HD2 TYR 97 -40.735 21.076 5.785 744 HE1 TYR 97 HE1 TYR 97 -37.977 24.682 3.750 745 HE2 TYR 97 HE2 TYR 97 -38.490 21.672 6.760 746 HH TYR 97 HH TYR 97 -36.498 24.324 5.357 747 H HIS 98 H HIS 98 -39.286 21.836 1.674 748 HA HIS 98 HA HIS 98 -38.874 19.026 2.389 749 HB2 HIS 98 HB2 HIS 98 -39.099 18.883 -0.048 750 HB3 HIS 98 HB3 HIS 98 -37.930 20.190 -0.262 751 HD1 HIS 98 HD1 HIS 98 -38.006 16.564 1.186 752 HD2 HIS 98 HD2 HIS 98 -35.401 19.464 -0.476 753 HE1 HIS 98 HE1 HIS 98 -35.698 15.441 0.966 754 H GLN 99 H GLN 99 -36.766 18.658 3.189 755 HA GLN 99 HA GLN 99 -34.793 20.810 3.054 756 HB2 GLN 99 HB2 GLN 99 -36.030 21.254 5.175 757 HB3 GLN 99 HB3 GLN 99 -35.610 19.647 5.741 758 HG2 GLN 99 HG2 GLN 99 -33.256 21.320 4.870 759 HG3 GLN 99 HG3 GLN 99 -34.163 21.995 6.185 760 HE21 GLN 99 HE21 GLN 99 -32.442 21.717 7.695 761 HE22 GLN 99 HE22 GLN 99 -31.722 20.143 7.978 762 H THR 100 H THR 100 -32.667 20.073 3.564 763 HA THR 100 HA THR 100 -32.322 17.327 4.508 764 HB THR 100 HB THR 100 -30.231 17.326 2.777 765 HG1 THR 100 HG1 THR 100 -31.202 19.241 1.722 766 HG21 THR 100 HG21 THR 100 -31.416 15.834 1.284 767 HG22 THR 100 HG22 THR 100 -32.977 16.375 1.926 768 HG23 THR 100 HG23 THR 100 -31.844 15.477 2.969 769 H SER 101 H SER 101 -30.562 17.263 5.880 770 HA SER 101 HA SER 101 -28.598 19.549 5.979 771 HB2 SER 101 HB2 SER 101 -29.932 17.902 8.114 772 HB3 SER 101 HB3 SER 101 -28.313 18.535 8.404 773 HG SER 101 HG SER 101 -29.012 20.560 8.322 774 H GLU 102 H GLU 102 -26.358 19.134 6.235 775 HA GLU 102 HA GLU 102 -25.409 16.377 6.633 776 HB2 GLU 102 HB2 GLU 102 -24.269 16.154 4.511 777 HB3 GLU 102 HB3 GLU 102 -26.008 16.299 4.327 778 HG2 GLU 102 HG2 GLU 102 -25.565 18.825 3.835 779 HG3 GLU 102 HG3 GLU 102 -23.884 18.322 3.598 780 H ILE 103 H ILE 103 -22.955 16.069 6.681 781 HA ILE 103 HA ILE 103 -21.492 18.445 7.498 782 HB ILE 103 HB ILE 103 -20.371 15.502 7.492 783 HG12 ILE 103 HG12 ILE 103 -22.103 16.779 9.606 784 HG13 ILE 103 HG13 ILE 103 -22.619 15.336 8.708 785 HG21 ILE 103 HG21 ILE 103 -19.803 17.851 9.397 786 HG22 ILE 103 HG22 ILE 103 -18.843 17.504 7.892 787 HG23 ILE 103 HG23 ILE 103 -18.986 16.413 9.400 788 HD11 ILE 103 HD11 ILE 103 -20.745 15.565 10.943 789 HD12 ILE 103 HD12 ILE 103 -20.313 14.322 9.783 790 HD13 ILE 103 HD13 ILE 103 -22.035 14.368 10.619 791 H VAL 104 H VAL 104 -19.888 19.208 6.330 792 HA VAL 104 HA VAL 104 -18.813 17.643 4.034 793 HB VAL 104 HB VAL 104 -19.344 20.625 4.008 794 HG11 VAL 104 HG11 VAL 104 -18.313 18.730 1.849 795 HG12 VAL 104 HG12 VAL 104 -17.364 19.993 2.664 796 HG13 VAL 104 HG13 VAL 104 -18.715 20.443 1.619 797 HG21 VAL 104 HG21 VAL 104 -20.750 18.335 2.561 798 HG22 VAL 104 HG22 VAL 104 -21.003 20.060 2.228 799 HG23 VAL 104 HG23 VAL 104 -21.464 19.386 3.793 800 H GLY 105 H GLY 105 -17.287 16.872 5.503 801 HA2 GLY 105 HA2 GLY 105 -15.175 16.786 6.448 802 HA3 GLY 105 HA3 GLY 105 -14.824 18.364 5.743 803 H ASP 106 H ASP 106 -15.008 20.189 7.013 804 HA ASP 106 HA ASP 106 -15.731 19.832 9.866 805 HB2 ASP 106 HB2 ASP 106 -13.558 21.484 8.595 806 HB3 ASP 106 HB3 ASP 106 -14.272 22.002 10.099 807 H LYS 107 H LYS 107 -16.948 21.075 7.094 808 HA LYS 107 HA LYS 107 -18.211 23.484 8.320 809 HB2 LYS 107 HB2 LYS 107 -17.981 22.695 5.384 810 HB3 LYS 107 HB3 LYS 107 -18.688 24.184 5.995 811 HG2 LYS 107 HG2 LYS 107 -15.751 23.348 6.175 812 HG3 LYS 107 HG3 LYS 107 -16.420 24.519 5.059 813 HD2 LYS 107 HD2 LYS 107 -16.321 24.810 8.095 814 HD3 LYS 107 HD3 LYS 107 -15.231 25.582 6.956 815 HE2 LYS 107 HE2 LYS 107 -18.241 26.052 7.147 816 HE3 LYS 107 HE3 LYS 107 -16.989 27.121 7.783 817 HZ1 LYS 107 HZ1 LYS 107 -16.185 27.445 5.509 818 HZ2 LYS 107 HZ2 LYS 107 -17.750 27.909 5.637 819 HZ3 LYS 107 HZ3 LYS 107 -17.369 26.485 4.914 820 H LEU 108 H LEU 108 -20.434 23.641 8.232 821 HA LEU 108 HA LEU 108 -21.747 20.962 7.757 822 HB2 LEU 108 HB2 LEU 108 -21.922 23.128 9.866 823 HB3 LEU 108 HB3 LEU 108 -22.898 21.681 9.608 824 HG LEU 108 HG LEU 108 -21.453 21.503 11.533 825 HD11 LEU 108 HD11 LEU 108 -22.271 19.434 10.532 826 HD12 LEU 108 HD12 LEU 108 -20.611 19.216 11.028 827 HD13 LEU 108 HD13 LEU 108 -21.006 19.530 9.312 828 HD21 LEU 108 HD21 LEU 108 -19.193 21.069 11.470 829 HD22 LEU 108 HD22 LEU 108 -19.415 22.601 10.591 830 HD23 LEU 108 HD23 LEU 108 -19.116 21.043 9.746 831 H VAL 109 H VAL 109 -23.481 20.983 6.195 832 HA VAL 109 HA VAL 109 -24.286 23.563 5.221 833 HB VAL 109 HB VAL 109 -23.596 20.864 3.870 834 HG11 VAL 109 HG11 VAL 109 -24.159 21.964 1.724 835 HG12 VAL 109 HG12 VAL 109 -24.574 23.483 2.545 836 HG13 VAL 109 HG13 VAL 109 -25.573 22.034 2.713 837 HG21 VAL 109 HG21 VAL 109 -22.057 22.496 2.578 838 HG22 VAL 109 HG22 VAL 109 -21.572 21.799 4.221 839 HG23 VAL 109 HG23 VAL 109 -22.238 23.462 4.158 840 H GLU 110 H GLU 110 -26.438 23.910 4.738 841 HA GLU 110 HA GLU 110 -28.284 21.596 4.958 842 HB2 GLU 110 HB2 GLU 110 -28.365 22.195 7.167 843 HB3 GLU 110 HB3 GLU 110 -28.318 23.934 6.841 844 HG2 GLU 110 HG2 GLU 110 -30.648 23.747 5.919 845 HG3 GLU 110 HG3 GLU 110 -30.596 22.012 6.257 846 H VAL 111 H VAL 111 -29.654 21.669 3.397 847 HA VAL 111 HA VAL 111 -30.240 24.229 2.164 848 HB VAL 111 HB VAL 111 -28.469 22.854 0.890 849 HG11 VAL 111 HG11 VAL 111 -29.009 20.591 1.632 850 HG12 VAL 111 HG12 VAL 111 -29.117 20.827 -0.233 851 HG13 VAL 111 HG13 VAL 111 -30.550 20.611 0.829 852 HG21 VAL 111 HG21 VAL 111 -29.651 24.356 -0.285 853 HG22 VAL 111 HG22 VAL 111 -31.094 23.402 -0.656 854 HG23 VAL 111 HG23 VAL 111 -29.431 22.881 -1.204 855 H SER 112 H SER 112 -32.415 24.578 1.604 856 HA SER 112 HA SER 112 -34.271 22.298 1.762 857 HB2 SER 112 HB2 SER 112 -35.754 23.431 3.419 858 HB3 SER 112 HB3 SER 112 -34.237 22.815 4.060 859 HG SER 112 HG SER 112 -33.436 24.841 4.192 860 H THR 113 H THR 113 -36.531 22.864 1.229 861 HA THR 113 HA THR 113 -36.645 25.085 -0.714 862 HB THR 113 HB THR 113 -37.156 22.194 -1.405 863 HG1 THR 113 HG1 THR 113 -35.649 22.785 -3.057 864 HG21 THR 113 HG21 THR 113 -37.745 23.028 -3.669 865 HG22 THR 113 HG22 THR 113 -37.698 24.694 -3.055 866 HG23 THR 113 HG23 THR 113 -38.926 23.548 -2.462 867 H ILE 114 H ILE 114 -38.432 26.236 -0.173 868 HA ILE 114 HA ILE 114 -40.895 24.790 0.722 869 HB ILE 114 HB ILE 114 -40.485 27.776 0.895 870 HG12 ILE 114 HG12 ILE 114 -40.413 26.115 3.396 871 HG13 ILE 114 HG13 ILE 114 -38.940 26.367 2.487 872 HG21 ILE 114 HG21 ILE 114 -42.825 27.093 0.812 873 HG22 ILE 114 HG22 ILE 114 -42.462 27.587 2.464 874 HG23 ILE 114 HG23 ILE 114 -42.556 25.873 2.080 875 HD11 ILE 114 HD11 ILE 114 -39.277 28.803 2.590 876 HD12 ILE 114 HD12 ILE 114 -39.137 28.047 4.189 877 HD13 ILE 114 HD13 ILE 114 -40.724 28.539 3.584 878 H GLY 115 H GLY 115 -42.485 24.678 -0.923 879 HA2 GLY 115 HA2 GLY 115 -43.744 25.201 -2.558 880 HA3 GLY 115 HA3 GLY 115 -43.265 26.955 -2.355 881 H GLY 116 H GLY 116 -40.764 24.942 -3.021 882 HA2 GLY 116 HA2 GLY 116 -39.659 24.296 -5.095 883 HA3 GLY 116 HA3 GLY 116 -40.641 25.436 -5.963 884 H VAL 117 H VAL 117 -39.646 26.924 -3.087 885 HA VAL 117 HA VAL 117 -37.298 27.995 -4.548 886 HB VAL 117 HB VAL 117 -39.348 29.557 -4.106 887 HG11 VAL 117 HG11 VAL 117 -39.351 29.295 -1.615 888 HG12 VAL 117 HG12 VAL 117 -39.109 30.962 -2.148 889 HG13 VAL 117 HG13 VAL 117 -37.730 30.019 -1.557 890 HG21 VAL 117 HG21 VAL 117 -37.328 30.194 -5.279 891 HG22 VAL 117 HG22 VAL 117 -36.432 30.356 -3.755 892 HG23 VAL 117 HG23 VAL 117 -37.772 31.462 -4.132 893 H THR 118 H THR 118 -35.412 28.308 -3.552 894 HA THR 118 HA THR 118 -34.912 26.309 -1.486 895 HB THR 118 HB THR 118 -33.168 27.148 -3.815 896 HG1 THR 118 HG1 THR 118 -34.940 25.000 -3.260 897 HG21 THR 118 HG21 THR 118 -32.021 25.038 -3.459 898 HG22 THR 118 HG22 THR 118 -32.901 24.870 -1.854 899 HG23 THR 118 HG23 THR 118 -31.856 26.116 -2.003 900 H TYR 119 H TYR 119 -33.564 26.436 0.076 901 HA TYR 119 HA TYR 119 -32.054 28.932 0.549 902 HB2 TYR 119 HB2 TYR 119 -34.035 28.977 1.848 903 HB3 TYR 119 HB3 TYR 119 -33.830 27.297 2.373 904 HD1 TYR 119 HD2 TYR 119 -31.952 26.696 3.912 905 HD2 TYR 119 HD1 TYR 119 -33.060 30.760 3.010 906 HE1 TYR 119 HE2 TYR 119 -30.589 27.490 5.809 907 HE2 TYR 119 HE1 TYR 119 -31.697 31.552 4.961 908 HH TYR 119 HH TYR 119 -30.691 30.505 7.206 909 H GLU 120 H GLU 120 -30.223 28.589 1.711 910 HA GLU 120 HA GLU 120 -29.158 25.895 2.268 911 HB2 GLU 120 HB2 GLU 120 -28.462 26.459 -0.105 912 HB3 GLU 120 HB3 GLU 120 -27.758 27.944 0.522 913 HG2 GLU 120 HG2 GLU 120 -26.153 26.299 1.955 914 HG3 GLU 120 HG3 GLU 120 -26.991 24.983 1.076 915 H ARG 121 H ARG 121 -27.735 26.032 4.154 916 HA ARG 121 HA ARG 121 -26.460 28.666 4.628 917 HB2 ARG 121 HB2 ARG 121 -26.800 28.630 7.041 918 HB3 ARG 121 HB3 ARG 121 -28.330 28.668 6.143 919 HG2 ARG 121 HG2 ARG 121 -28.893 26.361 6.482 920 HG3 ARG 121 HG3 ARG 121 -27.346 25.846 7.148 921 HD2 ARG 121 HD2 ARG 121 -28.865 25.952 8.960 922 HD3 ARG 121 HD3 ARG 121 -27.983 27.464 9.092 923 HE ARG 121 HE ARG 121 -30.093 28.455 7.836 924 HH11 ARG 121 HH11 ARG 121 -30.650 25.226 9.129 925 HH12 ARG 121 HH12 ARG 121 -32.008 25.693 10.077 926 HH21 ARG 121 HH21 ARG 121 -32.076 28.962 8.949 927 HH22 ARG 121 HH22 ARG 121 -32.910 27.658 9.650 928 H VAL 122 H VAL 122 -24.691 28.430 6.071 929 HA VAL 122 HA VAL 122 -23.434 25.839 6.182 930 HB VAL 122 HB VAL 122 -22.774 26.633 3.976 931 HG11 VAL 122 HG11 VAL 122 -22.707 29.038 4.280 932 HG12 VAL 122 HG12 VAL 122 -21.132 28.482 3.744 933 HG13 VAL 122 HG13 VAL 122 -21.384 28.922 5.454 934 HG21 VAL 122 HG21 VAL 122 -20.449 26.156 4.096 935 HG22 VAL 122 HG22 VAL 122 -21.239 25.177 5.330 936 HG23 VAL 122 HG23 VAL 122 -20.345 26.642 5.804 937 H SER 123 H SER 123 -21.448 25.827 7.642 938 HA SER 123 HA SER 123 -21.145 27.925 9.371 939 HB2 SER 123 HB2 SER 123 -23.261 27.066 10.411 940 HB3 SER 123 HB3 SER 123 -22.819 25.377 9.857 941 HG SER 123 HG SER 123 -21.507 26.751 11.979 942 H LYS 124 H LYS 124 -19.774 27.454 11.252 943 HA LYS 124 HA LYS 124 -17.897 25.344 10.326 944 HB2 LYS 124 HB2 LYS 124 -16.040 26.698 10.865 945 HB3 LYS 124 HB3 LYS 124 -17.273 27.651 9.821 946 HG2 LYS 124 HG2 LYS 124 -18.130 28.667 12.061 947 HG3 LYS 124 HG3 LYS 124 -16.645 28.069 12.823 948 HD2 LYS 124 HD2 LYS 124 -15.458 29.684 11.182 949 HD3 LYS 124 HD3 LYS 124 -17.035 29.958 10.380 950 HE2 LYS 124 HE2 LYS 124 -18.081 30.860 12.302 951 HE3 LYS 124 HE3 LYS 124 -16.714 30.537 13.413 952 HZ1 LYS 124 HZ1 LYS 124 -16.521 32.410 11.083 953 HZ2 LYS 124 HZ2 LYS 124 -15.333 32.251 12.208 954 HZ3 LYS 124 HZ3 LYS 124 -16.885 32.847 12.632 955 H ARG 125 H ARG 125 -16.940 24.018 11.847 956 HA ARG 125 HA ARG 125 -18.361 23.869 14.437 957 HB2 ARG 125 HB2 ARG 125 -17.443 21.676 14.669 958 HB3 ARG 125 HB3 ARG 125 -18.056 21.862 13.051 959 HG2 ARG 125 HG2 ARG 125 -16.225 20.779 12.506 960 HG3 ARG 125 HG3 ARG 125 -15.524 22.383 12.419 961 HD2 ARG 125 HD2 ARG 125 -14.297 22.080 14.411 962 HD3 ARG 125 HD3 ARG 125 -15.398 20.836 15.031 963 HE ARG 125 HE ARG 125 -13.409 20.470 12.811 964 HH11 ARG 125 HH11 ARG 125 -15.180 18.874 15.368 965 HH12 ARG 125 HH12 ARG 125 -14.918 17.306 14.650 966 HH21 ARG 125 HH21 ARG 125 -13.227 18.515 11.938 967 HH22 ARG 125 HH22 ARG 125 -13.864 17.119 12.718 968 H LEU 126 H LEU 126 -17.410 23.784 16.378 969 HA LEU 126 HA LEU 126 -14.527 23.793 16.662 970 HB2 LEU 126 HB2 LEU 126 -14.085 25.936 17.849 971 HB3 LEU 126 HB3 LEU 126 -15.040 26.307 16.363 972 HG LEU 126 HG LEU 126 -15.539 27.687 17.881 973 HD11 LEU 126 HD11 LEU 126 -18.039 25.995 17.717 974 HD12 LEU 126 HD12 LEU 126 -17.376 27.050 16.431 975 HD13 LEU 126 HD13 LEU 126 -17.967 27.796 17.908 976 HD21 LEU 126 HD21 LEU 126 -15.129 26.319 20.090 977 HD22 LEU 126 HD22 LEU 126 -16.705 25.573 19.781 978 HD23 LEU 126 HD23 LEU 126 -16.672 27.385 20.021 979 H ALA 127 H ALA 127 -16.981 22.277 17.571 980 HA ALA 127 HA ALA 127 -16.008 21.868 20.346 981 HB1 ALA 127 HB1 ALA 127 -17.514 19.938 20.336 982 HB2 ALA 127 HB2 ALA 127 -17.967 20.257 18.624 983 HB3 ALA 127 HB3 ALA 127 -18.354 21.548 19.694 984 H12 GCH 201 H12 GCH 128 -26.882 17.244 12.379 985 H1 GCH 201 H1 GCH 128 -29.025 18.187 11.045 986 H10 GCH 201 H10 GCH 128 -27.576 19.374 10.323 987 H11 GCH 201 H11 GCH 128 -26.748 17.786 10.151 988 H9 GCH 201 H9 GCH 128 -24.852 18.610 11.180 989 H4 GCH 201 H4 GCH 128 -25.502 18.962 13.843 990 H5 GCH 201 H5 GCH 128 -26.355 20.513 14.292 991 H2 GCH 201 H2 GCH 128 -28.156 19.973 12.802 992 H3 GCH 201 H3 GCH 128 -27.961 18.756 14.071 993 H6 GCH 201 H6 GCH 128 -23.897 20.764 13.591 994 H7 GCH 201 H7 GCH 128 -23.433 19.402 12.534 995 H8 GCH 201 H8 GCH 128 -23.459 21.034 11.807 996 H17 GCH 201 H17 GCH 128 -25.345 19.330 8.831 997 H18 GCH 201 H18 GCH 128 -24.090 20.116 9.672 998 H16 GCH 201 H16 GCH 128 -25.219 21.638 8.390 999 H13 GCH 201 H13 GCH 128 -27.483 22.366 9.141 1000 H15 GCH 201 H15 GCH 128 -24.319 22.306 10.610 1001 H14 GCH 201 H14 GCH 128 -27.112 21.478 11.476 1002 H41 GCH 201 H41 GCH 128 -27.095 22.470 13.490 1003 H42 GCH 201 H42 GCH 128 -25.423 22.540 13.733 1004 H40 GCH 201 H40 GCH 128 -25.741 24.759 13.580 1005 H35 GCH 201 H35 GCH 128 -27.062 23.757 10.164 1006 H33 GCH 201 H33 GCH 128 -26.147 24.506 8.237 1007 H34 GCH 201 H34 GCH 128 -24.497 24.089 8.472 1008 H31 GCH 201 H31 GCH 128 -25.408 26.747 8.762 1009 H32 GCH 201 H32 GCH 128 -23.998 26.021 9.561 1010 H30 GCH 201 H30 GCH 128 -26.946 26.027 10.642 1011 H29 GCH 201 H29 GCH 128 -25.484 28.178 11.064 1012 H19 GCH 201 H19 GCH 128 -24.857 26.645 13.642 1013 H20 GCH 201 H20 GCH 128 -23.738 27.389 12.441 1014 H21 GCH 201 H21 GCH 128 -24.761 28.463 13.368 1015 H27 GCH 201 H27 GCH 128 -27.431 27.221 13.173 1016 H28 GCH 201 H28 GCH 128 -26.895 28.879 12.632 1017 H25 GCH 201 H25 GCH 128 -28.155 28.531 10.527 1018 H26 GCH 201 H26 GCH 128 -28.960 27.045 11.308 1019 H24 GCH 201 H24 GCH 128 -29.714 29.800 10.271 1020 H22 GCH 201 H22 GCH 128 -31.140 31.584 11.715 1021 H23 GCH 201 H23 GCH 128 -32.037 30.013 11.750 1022 H36 GCH 201 H36 GCH 128 -23.458 24.104 10.882 1023 H37 GCH 201 H37 GCH 128 -23.553 25.492 12.124 1024 H38 GCH 201 H38 GCH 128 -23.746 23.817 12.586 1025 H39 GCH 201 H39 GCH 128 -28.032 24.274 12.090 1026 H11 CHO 202 H11 CHO 129 -35.435 18.029 8.383 1027 H12 CHO 202 H12 CHO 129 -35.277 16.711 9.511 1028 H21 CHO 202 H21 CHO 129 -33.226 16.947 8.343 1029 H22 CHO 202 H22 CHO 129 -33.139 18.679 8.776 1030 H3 CHO 202 H3 CHO 129 -32.947 16.194 10.647 1031 HO3 CHO 202 HO3 CHO 129 -31.403 17.732 9.214 1032 H41 CHO 202 H41 CHO 129 -32.769 17.716 12.488 1033 H42 CHO 202 H42 CHO 129 -32.730 19.182 11.405 1034 H5 CHO 202 H5 CHO 129 -35.078 17.287 11.962 1035 H61 CHO 202 H61 CHO 129 -36.002 19.004 13.252 1036 H62 CHO 202 H62 CHO 129 -34.255 19.053 13.666 1037 H7 CHO 202 H7 CHO 129 -35.554 21.127 13.362 1038 HO7 CHO 202 HO7 CHO 129 -33.549 21.588 13.669 1039 H8 CHO 202 H8 CHO 129 -36.558 21.149 11.308 1040 H9 CHO 202 H9 CHO 129 -33.944 20.322 9.989 1041 H111 CHO 202 H111 CHO 129 -35.284 20.277 7.826 1042 H112 CHO 202 H112 CHO 129 -36.797 20.431 8.669 1043 H121 CHO 202 H121 CHO 129 -36.113 22.611 7.693 1044 H122 CHO 202 H122 CHO 129 -34.384 22.461 8.356 1045 H14 CHO 202 H14 CHO 129 -34.019 22.581 10.390 1046 H151 CHO 202 H151 CHO 129 -36.017 23.324 12.615 1047 H152 CHO 202 H152 CHO 129 -34.299 23.853 12.440 1048 H161 CHO 202 H161 CHO 129 -36.689 25.211 11.204 1049 H162 CHO 202 H162 CHO 129 -35.077 25.753 11.541 1050 H17 CHO 202 H17 CHO 129 -34.228 24.502 9.629 1051 H181 CHO 202 H181 CHO 129 -37.862 22.121 9.415 1052 H182 CHO 202 H182 CHO 129 -37.682 22.989 10.976 1053 H183 CHO 202 H183 CHO 129 -37.975 23.902 9.493 1054 H191 CHO 202 H191 CHO 129 -36.968 17.488 10.720 1055 H192 CHO 202 H192 CHO 129 -37.256 18.956 11.505 1056 H193 CHO 202 H193 CHO 129 -37.467 18.969 9.679 1057 H20 CHO 202 H20 CHO 129 -36.791 25.028 8.185 1058 H211 CHO 202 H211 CHO 129 -35.477 26.149 6.596 1059 H212 CHO 202 H212 CHO 129 -34.083 26.175 7.709 1060 H213 CHO 202 H213 CHO 129 -34.571 24.626 7.056 1061 H221 CHO 202 H221 CHO 129 -35.327 27.636 8.704 1062 H222 CHO 202 H222 CHO 129 -36.254 27.029 10.169 1063 H231 CHO 202 H231 CHO 129 -37.295 28.657 8.342 1064 H232 CHO 202 H232 CHO 129 -37.601 27.252 7.452 1065 HN CHO 202 HN CHO 129 -38.690 29.008 10.388 1066 H261 CHO 202 H261 CHO 129 -41.319 29.104 10.031 1067 H262 CHO 202 H262 CHO 129 -41.159 27.381 10.570
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