NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529253 | 2lml | 16860 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -11.465 -0.475 5.292 2 H2 MET 1 HT2 MET 1 -12.641 0.722 5.108 3 H3 MET 1 HT3 MET 1 -11.703 0.671 6.509 4 HA MET 1 HA MET 1 -9.758 1.243 5.388 5 HB2 MET 1 HB2 MET 1 -9.933 1.825 2.847 6 HB3 MET 1 HB1 MET 1 -9.771 0.146 3.335 7 HG2 MET 1 HG2 MET 1 -12.402 1.457 2.596 8 HG3 MET 1 HG1 MET 1 -11.401 0.500 1.496 9 HE1 MET 1 HE1 MET 1 -13.355 -1.216 0.940 10 HE2 MET 1 HE2 MET 1 -14.466 -0.292 1.953 11 HE3 MET 1 HE3 MET 1 -14.322 -2.038 2.166 12 HA PRO 2 HA PRO 2 -11.808 5.334 5.955 13 HB2 PRO 2 HB2 PRO 2 -10.951 5.904 8.407 14 HB3 PRO 2 HB1 PRO 2 -12.172 4.640 8.186 15 HG2 PRO 2 HG2 PRO 2 -9.225 4.352 8.724 16 HG3 PRO 2 HG1 PRO 2 -10.575 3.389 9.355 17 HD2 PRO 2 HD2 PRO 2 -8.939 2.736 7.117 18 HD3 PRO 2 HD1 PRO 2 -10.454 1.931 7.584 19 H THR 3 HN THR 3 -9.440 4.756 4.392 20 HA THR 3 HA THR 3 -7.108 5.921 5.594 21 HB THR 3 HB THR 3 -6.101 5.315 3.245 22 HG1 THR 3 HG1 THR 3 -7.488 3.518 2.376 23 HG21 THR 3 HG21 THR 3 -7.196 3.147 5.081 24 HG22 THR 3 HG22 THR 3 -5.681 4.028 5.314 25 HG23 THR 3 HG23 THR 3 -5.876 2.959 3.924 26 H LEU 4 HN LEU 4 -8.885 6.755 2.495 27 HA LEU 4 HA LEU 4 -7.413 8.986 1.783 28 HB2 LEU 4 HB2 LEU 4 -10.402 8.521 1.446 29 HB3 LEU 4 HB1 LEU 4 -9.535 9.837 0.666 30 HG LEU 4 HG LEU 4 -9.060 6.865 0.161 31 HD11 LEU 4 HD11 LEU 4 -11.198 7.639 -0.761 32 HD12 LEU 4 HD12 LEU 4 -10.048 7.296 -2.048 33 HD13 LEU 4 HD13 LEU 4 -10.384 8.969 -1.593 34 HD21 LEU 4 HD21 LEU 4 -6.979 8.154 -0.105 35 HD22 LEU 4 HD22 LEU 4 -7.797 9.290 -1.179 36 HD23 LEU 4 HD23 LEU 4 -7.576 7.609 -1.671 37 H ASP 5 HN ASP 5 -10.158 8.820 4.017 38 HA ASP 5 HA ASP 5 -10.478 11.470 4.792 39 HB2 ASP 5 HB2 ASP 5 -12.013 9.707 5.505 40 HB3 ASP 5 HB1 ASP 5 -10.742 8.907 6.423 41 H ALA 6 HN ALA 6 -8.373 9.011 6.246 42 HA ALA 6 HA ALA 6 -7.170 10.719 8.200 43 HB1 ALA 6 HB1 ALA 6 -5.688 8.798 8.636 44 HB2 ALA 6 HB2 ALA 6 -6.275 8.003 7.170 45 HB3 ALA 6 HB3 ALA 6 -7.374 8.292 8.521 46 H LEU 7 HN LEU 7 -6.449 10.017 4.866 47 HA LEU 7 HA LEU 7 -3.628 10.675 5.032 48 HB2 LEU 7 HB2 LEU 7 -5.396 9.838 2.706 49 HB3 LEU 7 HB1 LEU 7 -3.696 10.237 2.522 50 HG LEU 7 HG LEU 7 -4.812 7.907 4.141 51 HD11 LEU 7 HD11 LEU 7 -3.281 7.904 1.514 52 HD12 LEU 7 HD12 LEU 7 -4.995 7.532 1.730 53 HD13 LEU 7 HD13 LEU 7 -3.771 6.477 2.432 54 HD21 LEU 7 HD21 LEU 7 -2.459 7.215 4.450 55 HD22 LEU 7 HD22 LEU 7 -2.791 8.768 5.213 56 HD23 LEU 7 HD23 LEU 7 -1.917 8.708 3.678 57 H THR 8 HN THR 8 -6.636 12.312 4.088 58 HA THR 8 HA THR 8 -5.617 14.202 2.306 59 HB THR 8 HB THR 8 -7.977 14.624 4.188 60 HG1 THR 8 HG1 THR 8 -8.677 13.051 2.951 61 HG21 THR 8 HG21 THR 8 -7.229 16.770 3.203 62 HG22 THR 8 HG22 THR 8 -8.763 16.262 2.494 63 HG23 THR 8 HG23 THR 8 -7.261 16.049 1.590 64 HA PRO 9 HA PRO 9 -4.566 17.226 6.089 65 HB2 PRO 9 HB2 PRO 9 -3.847 15.841 8.415 66 HB3 PRO 9 HB1 PRO 9 -5.406 16.638 8.158 67 HG2 PRO 9 HG2 PRO 9 -4.671 13.740 7.770 68 HG3 PRO 9 HG1 PRO 9 -6.110 14.433 8.551 69 HD2 PRO 9 HD2 PRO 9 -6.268 13.498 6.054 70 HD3 PRO 9 HD1 PRO 9 -7.109 15.008 6.489 71 H ILE 10 HN ILE 10 -3.173 13.959 5.717 72 HA ILE 10 HA ILE 10 -0.476 14.629 6.398 73 HB ILE 10 HB ILE 10 -1.506 12.284 4.735 74 HG12 ILE 10 HG12 ILE 10 -2.481 12.290 7.002 75 HG13 ILE 10 HG11 ILE 10 -1.345 10.958 6.830 76 HG21 ILE 10 HG21 ILE 10 0.643 11.154 5.306 77 HG22 ILE 10 HG22 ILE 10 1.224 12.651 6.033 78 HG23 ILE 10 HG23 ILE 10 0.880 12.588 4.303 79 HD11 ILE 10 HD11 ILE 10 -0.807 13.565 8.258 80 HD12 ILE 10 HD12 ILE 10 0.332 12.225 8.088 81 HD13 ILE 10 HD13 ILE 10 -1.158 12.006 9.003 82 H PHE 11 HN PHE 11 -2.143 14.193 3.262 83 HA PHE 11 HA PHE 11 0.114 14.810 1.619 84 HB2 PHE 11 HB2 PHE 11 -2.866 14.617 1.015 85 HB3 PHE 11 HB1 PHE 11 -1.680 15.004 -0.224 86 HD1 PHE 11 HD2 PHE 11 -1.794 12.406 2.528 87 HD2 PHE 11 HD1 PHE 11 -1.375 13.177 -1.657 88 HE1 PHE 11 HE2 PHE 11 -1.490 10.004 2.113 89 HE2 PHE 11 HE1 PHE 11 -1.076 10.773 -2.057 90 HZ PHE 11 HZ PHE 11 -1.137 9.184 -0.181 91 H ARG 12 HN ARG 12 -2.659 16.703 2.823 92 HA ARG 12 HA ARG 12 -2.071 19.168 1.561 93 HB2 ARG 12 HB2 ARG 12 -3.573 18.443 4.091 94 HB3 ARG 12 HB1 ARG 12 -3.281 20.140 3.707 95 HG2 ARG 12 HG2 ARG 12 -4.500 19.863 1.567 96 HG3 ARG 12 HG1 ARG 12 -4.803 18.165 1.962 97 HD2 ARG 12 HD2 ARG 12 -6.145 18.804 3.888 98 HD3 ARG 12 HD1 ARG 12 -5.734 20.508 3.669 99 HE ARG 12 HE ARG 12 -6.909 19.907 1.324 100 HH11 ARG 12 HH11 ARG 12 -7.978 19.297 4.608 101 HH12 ARG 12 HH12 ARG 12 -9.658 19.457 4.214 102 HH21 ARG 12 HH21 ARG 12 -9.100 20.095 0.825 103 HH22 ARG 12 HH22 ARG 12 -10.295 19.898 2.066 104 H GLN 13 HN GLN 13 -0.685 17.628 4.425 105 HA GLN 13 HA GLN 13 0.685 19.968 5.358 106 HB2 GLN 13 HB2 GLN 13 0.031 18.060 6.858 107 HB3 GLN 13 HB1 GLN 13 1.224 17.046 6.054 108 HG2 GLN 13 HG2 GLN 13 2.127 17.869 8.156 109 HG3 GLN 13 HG1 GLN 13 3.022 18.577 6.808 110 HE21 GLN 13 HE21 GLN 13 3.724 20.399 7.903 111 HE22 GLN 13 HE22 GLN 13 2.665 21.644 8.462 112 H VAL 14 HN VAL 14 1.769 16.967 3.749 113 HA VAL 14 HA VAL 14 4.483 17.501 3.463 114 HB VAL 14 HB VAL 14 2.668 15.834 1.650 115 HG11 VAL 14 HG11 VAL 14 5.710 15.796 1.843 116 HG12 VAL 14 HG12 VAL 14 4.767 16.341 0.455 117 HG13 VAL 14 HG13 VAL 14 4.737 14.642 0.926 118 HG21 VAL 14 HG21 VAL 14 4.418 14.994 4.000 119 HG22 VAL 14 HG22 VAL 14 3.501 13.895 2.965 120 HG23 VAL 14 HG23 VAL 14 2.654 15.055 3.990 121 H PHE 15 HN PHE 15 1.895 18.004 1.078 122 HA PHE 15 HA PHE 15 3.680 19.376 -0.769 123 HB2 PHE 15 HB2 PHE 15 0.697 18.791 -1.044 124 HB3 PHE 15 HB1 PHE 15 1.779 19.331 -2.328 125 HD1 PHE 15 HD2 PHE 15 3.913 17.784 -2.747 126 HD2 PHE 15 HD1 PHE 15 0.323 16.459 -0.838 127 HE1 PHE 15 HE2 PHE 15 4.516 15.445 -3.204 128 HE2 PHE 15 HE1 PHE 15 0.942 14.129 -1.298 129 HZ PHE 15 HZ PHE 15 3.041 13.625 -2.477 130 H ASP 16 HN ASP 16 1.955 20.349 1.914 131 HA ASP 16 HA ASP 16 1.366 22.286 2.845 132 HB2 ASP 16 HB2 ASP 16 3.802 22.683 2.548 133 HB3 ASP 16 HB1 ASP 16 3.489 23.450 0.990 134 H ASP 17 HN ASP 17 -0.744 22.139 1.985 135 HA ASP 17 HA ASP 17 -1.590 24.289 0.268 136 HB2 ASP 17 HB2 ASP 17 -0.742 22.373 -1.276 137 HB3 ASP 17 HB1 ASP 17 -2.119 21.438 -0.710 138 H ASP 18 HN ASP 18 -4.036 24.029 -0.108 139 HA ASP 18 HA ASP 18 -5.380 22.997 2.337 140 HB2 ASP 18 HB2 ASP 18 -4.946 25.415 2.627 141 HB3 ASP 18 HB1 ASP 18 -5.686 25.760 1.069 142 H SER 19 HN SER 19 -5.433 23.641 -1.059 143 HA SER 19 HA SER 19 -8.259 23.090 -1.458 144 HB2 SER 19 HB2 SER 19 -6.071 23.600 -3.525 145 HB3 SER 19 HB1 SER 19 -7.818 23.678 -3.788 146 HG SER 19 HG SER 19 -7.657 25.325 -1.968 147 H ILE 20 HN ILE 20 -5.311 21.229 -1.386 148 HA ILE 20 HA ILE 20 -6.016 19.155 -3.206 149 HB ILE 20 HB ILE 20 -4.137 19.110 -0.799 150 HG12 ILE 20 HG12 ILE 20 -3.583 19.200 -3.807 151 HG13 ILE 20 HG11 ILE 20 -3.377 20.536 -2.678 152 HG21 ILE 20 HG21 ILE 20 -4.513 16.894 -2.861 153 HG22 ILE 20 HG22 ILE 20 -4.943 16.804 -1.152 154 HG23 ILE 20 HG23 ILE 20 -3.251 16.935 -1.631 155 HD11 ILE 20 HD11 ILE 20 -1.796 17.964 -2.683 156 HD12 ILE 20 HD12 ILE 20 -1.576 19.310 -1.561 157 HD13 ILE 20 HD13 ILE 20 -1.252 19.528 -3.280 158 H VAL 21 HN VAL 21 -7.817 18.005 -3.032 159 HA VAL 21 HA VAL 21 -8.584 16.793 -0.438 160 HB VAL 21 HB VAL 21 -10.455 17.328 -2.807 161 HG11 VAL 21 HG11 VAL 21 -11.054 16.285 -0.005 162 HG12 VAL 21 HG12 VAL 21 -11.075 15.330 -1.490 163 HG13 VAL 21 HG13 VAL 21 -12.256 16.619 -1.256 164 HG21 VAL 21 HG21 VAL 21 -9.865 19.466 -1.731 165 HG22 VAL 21 HG22 VAL 21 -10.309 18.811 -0.152 166 HG23 VAL 21 HG23 VAL 21 -11.547 19.043 -1.390 167 H LEU 22 HN LEU 22 -8.351 14.616 -0.476 168 HA LEU 22 HA LEU 22 -7.212 13.419 -2.843 169 HB2 LEU 22 HB2 LEU 22 -7.815 12.206 -0.129 170 HB3 LEU 22 HB1 LEU 22 -6.902 11.421 -1.419 171 HG LEU 22 HG LEU 22 -6.084 13.915 0.131 172 HD11 LEU 22 HD11 LEU 22 -4.860 11.150 0.015 173 HD12 LEU 22 HD12 LEU 22 -5.814 11.816 1.342 174 HD13 LEU 22 HD13 LEU 22 -4.258 12.529 0.938 175 HD21 LEU 22 HD21 LEU 22 -3.981 13.881 -1.173 176 HD22 LEU 22 HD22 LEU 22 -5.373 14.194 -2.203 177 HD23 LEU 22 HD23 LEU 22 -4.628 12.593 -2.197 178 H THR 23 HN THR 23 -8.090 12.104 -4.204 179 HA THR 23 HA THR 23 -10.542 10.584 -3.619 180 HB THR 23 HB THR 23 -11.203 10.814 -6.061 181 HG1 THR 23 HG1 THR 23 -9.560 13.101 -6.230 182 HG21 THR 23 HG21 THR 23 -12.375 12.201 -4.391 183 HG22 THR 23 HG22 THR 23 -12.211 13.059 -5.924 184 HG23 THR 23 HG23 THR 23 -11.151 13.461 -4.571 185 H ARG 24 HN ARG 24 -10.573 8.635 -5.098 186 HA ARG 24 HA ARG 24 -8.073 7.306 -4.944 187 HB2 ARG 24 HB2 ARG 24 -10.687 6.479 -6.241 188 HB3 ARG 24 HB1 ARG 24 -9.277 5.425 -6.127 189 HG2 ARG 24 HG2 ARG 24 -9.402 5.739 -3.598 190 HG3 ARG 24 HG1 ARG 24 -10.975 6.503 -3.859 191 HD2 ARG 24 HD2 ARG 24 -11.173 4.089 -3.284 192 HD3 ARG 24 HD1 ARG 24 -11.825 4.447 -4.884 193 HE ARG 24 HE ARG 24 -10.011 3.368 -5.888 194 HH11 ARG 24 HH11 ARG 24 -9.760 3.135 -2.388 195 HH12 ARG 24 HH12 ARG 24 -8.510 1.931 -2.457 196 HH21 ARG 24 HH21 ARG 24 -8.366 1.848 -5.948 197 HH22 ARG 24 HH22 ARG 24 -7.731 1.204 -4.464 198 H GLU 25 HN GLU 25 -9.322 9.328 -7.401 199 HA GLU 25 HA GLU 25 -7.792 8.087 -9.578 200 HB2 GLU 25 HB2 GLU 25 -9.054 9.625 -11.018 201 HB3 GLU 25 HB1 GLU 25 -10.145 8.728 -9.964 202 HG2 GLU 25 HG2 GLU 25 -10.154 10.751 -8.424 203 HG3 GLU 25 HG1 GLU 25 -9.299 11.632 -9.692 204 H THR 26 HN THR 26 -7.479 10.633 -7.247 205 HA THR 26 HA THR 26 -5.942 12.533 -8.713 206 HB THR 26 HB THR 26 -5.912 11.961 -5.706 207 HG1 THR 26 HG1 THR 26 -7.838 12.901 -7.215 208 HG21 THR 26 HG21 THR 26 -3.942 13.319 -6.359 209 HG22 THR 26 HG22 THR 26 -5.105 14.290 -5.453 210 HG23 THR 26 HG23 THR 26 -5.002 14.455 -7.208 211 H SER 27 HN SER 27 -3.846 12.472 -9.336 212 HA SER 27 HA SER 27 -1.923 10.619 -8.060 213 HB2 SER 27 HB2 SER 27 -0.987 10.158 -10.347 214 HB3 SER 27 HB1 SER 27 -2.650 9.593 -10.180 215 HG SER 27 HG SER 27 -3.335 11.449 -11.296 216 H ALA 28 HN ALA 28 0.378 11.271 -9.038 217 HA ALA 28 HA ALA 28 1.102 13.859 -8.341 218 HB1 ALA 28 HB1 ALA 28 2.541 11.972 -10.233 219 HB2 ALA 28 HB2 ALA 28 2.694 11.992 -8.474 220 HB3 ALA 28 HB3 ALA 28 3.258 13.370 -9.421 221 H ASN 29 HN ASN 29 -0.026 12.584 -11.450 222 HA ASN 29 HA ASN 29 0.760 14.763 -13.091 223 HB2 ASN 29 HB2 ASN 29 0.209 12.522 -13.999 224 HB3 ASN 29 HB1 ASN 29 -1.464 12.719 -13.489 225 HD21 ASN 29 HD21 ASN 29 1.008 13.887 -15.707 226 HD22 ASN 29 HD22 ASN 29 -0.080 14.548 -16.874 227 H ASP 30 HN ASP 30 -1.976 14.246 -10.959 228 HA ASP 30 HA ASP 30 -3.551 16.482 -11.924 229 HB2 ASP 30 HB2 ASP 30 -3.784 14.768 -9.403 230 HB3 ASP 30 HB1 ASP 30 -4.918 16.049 -9.824 231 H ILE 31 HN ILE 31 -0.851 16.136 -9.790 232 HA ILE 31 HA ILE 31 -1.392 18.754 -8.511 233 HB ILE 31 HB ILE 31 -0.042 16.309 -7.269 234 HG12 ILE 31 HG12 ILE 31 -2.636 17.765 -6.539 235 HG13 ILE 31 HG11 ILE 31 -2.519 16.175 -7.280 236 HG21 ILE 31 HG21 ILE 31 0.246 17.666 -5.207 237 HG22 ILE 31 HG22 ILE 31 -0.352 19.086 -6.061 238 HG23 ILE 31 HG23 ILE 31 1.164 18.336 -6.558 239 HD11 ILE 31 HD11 ILE 31 -1.589 16.894 -4.500 240 HD12 ILE 31 HD12 ILE 31 -1.506 15.296 -5.245 241 HD13 ILE 31 HD13 ILE 31 -3.070 16.037 -4.922 242 H ASP 32 HN ASP 32 -0.254 19.920 -10.055 243 HA ASP 32 HA ASP 32 2.530 19.532 -10.643 244 HB2 ASP 32 HB2 ASP 32 0.759 22.007 -10.935 245 HB3 ASP 32 HB1 ASP 32 2.450 21.964 -11.427 246 H ALA 33 HN ALA 33 3.808 19.397 -8.976 247 HA ALA 33 HA ALA 33 4.814 21.023 -7.120 248 HB1 ALA 33 HB1 ALA 33 3.489 20.769 -5.014 249 HB2 ALA 33 HB2 ALA 33 2.204 19.957 -5.918 250 HB3 ALA 33 HB3 ALA 33 2.581 21.650 -6.242 251 H TRP 34 HN TRP 34 3.041 18.003 -7.394 252 HA TRP 34 HA TRP 34 4.695 16.416 -5.659 253 HB2 TRP 34 HB2 TRP 34 2.176 16.109 -6.245 254 HB3 TRP 34 HB1 TRP 34 2.713 15.412 -7.764 255 HD1 TRP 34 HD1 TRP 34 5.173 13.671 -6.265 256 HE1 TRP 34 HE1 TRP 34 4.460 11.551 -5.020 257 HE3 TRP 34 HE3 TRP 34 0.196 14.671 -5.683 258 HZ2 TRP 34 HZ2 TRP 34 2.136 10.431 -3.927 259 HZ3 TRP 34 HZ3 TRP 34 -1.213 13.015 -4.526 260 HH2 TRP 34 HH2 TRP 34 -0.259 10.933 -3.666 261 H ASP 35 HN ASP 35 6.701 15.824 -6.276 262 HA ASP 35 HA ASP 35 7.197 14.758 -8.978 263 HB2 ASP 35 HB2 ASP 35 9.342 15.900 -9.129 264 HB3 ASP 35 HB1 ASP 35 8.111 17.120 -8.834 265 H SER 36 HN SER 36 9.754 13.800 -8.639 266 HA SER 36 HA SER 36 9.646 11.508 -7.177 267 HB2 SER 36 HB2 SER 36 12.036 13.152 -8.091 268 HB3 SER 36 HB1 SER 36 12.235 11.588 -7.315 269 H LEU 37 HN LEU 37 11.228 14.528 -6.148 270 HA LEU 37 HA LEU 37 12.190 13.587 -3.659 271 HB2 LEU 37 HB2 LEU 37 12.784 15.723 -5.125 272 HB3 LEU 37 HB1 LEU 37 11.581 16.513 -4.133 273 HG LEU 37 HG LEU 37 13.896 16.937 -3.363 274 HD11 LEU 37 HD11 LEU 37 13.642 16.477 -0.984 275 HD12 LEU 37 HD12 LEU 37 12.326 15.350 -1.326 276 HD13 LEU 37 HD13 LEU 37 12.141 17.066 -1.696 277 HD21 LEU 37 HD21 LEU 37 14.940 14.836 -4.062 278 HD22 LEU 37 HD22 LEU 37 14.086 13.966 -2.783 279 HD23 LEU 37 HD23 LEU 37 15.285 15.195 -2.370 280 H SER 38 HN SER 38 9.213 15.309 -4.540 281 HA SER 38 HA SER 38 8.259 15.648 -1.837 282 HB2 SER 38 HB2 SER 38 6.808 15.942 -4.495 283 HB3 SER 38 HB1 SER 38 6.160 16.434 -2.929 284 HG SER 38 HG SER 38 8.361 17.490 -4.340 285 H HIS 39 HN HIS 39 7.858 13.257 -4.326 286 HA HIS 39 HA HIS 39 5.759 11.703 -3.227 287 HB2 HIS 39 HB2 HIS 39 6.666 11.588 -5.599 288 HB3 HIS 39 HB1 HIS 39 8.053 10.710 -4.974 289 HD2 HIS 39 HD2 HIS 39 7.669 8.173 -5.741 290 HE1 HIS 39 HE1 HIS 39 3.501 7.992 -5.187 291 HE2 HIS 39 HE2 HIS 39 5.574 6.662 -5.737 292 H MET 40 HN MET 40 9.285 11.586 -2.869 293 HA MET 40 HA MET 40 9.374 9.345 -1.094 294 HB2 MET 40 HB2 MET 40 11.367 11.594 -1.590 295 HB3 MET 40 HB1 MET 40 11.691 10.219 -0.535 296 HG2 MET 40 HG2 MET 40 11.155 10.107 -3.514 297 HG3 MET 40 HG1 MET 40 12.709 9.877 -2.710 298 HE1 MET 40 HE1 MET 40 11.880 8.034 -0.170 299 HE2 MET 40 HE2 MET 40 13.288 7.724 -1.189 300 HE3 MET 40 HE3 MET 40 12.133 6.432 -0.861 301 H ASN 41 HN ASN 41 9.165 12.858 -0.667 302 HA ASN 41 HA ASN 41 9.291 13.013 2.143 303 HB2 ASN 41 HB2 ASN 41 7.813 14.789 0.150 304 HB3 ASN 41 HB1 ASN 41 7.968 15.178 1.861 305 HD21 ASN 41 HD21 ASN 41 8.888 16.657 -0.436 306 HD22 ASN 41 HD22 ASN 41 10.593 16.847 -0.255 307 H LEU 42 HN LEU 42 6.583 12.436 -0.062 308 HA LEU 42 HA LEU 42 4.487 12.449 1.805 309 HB2 LEU 42 HB2 LEU 42 4.311 12.655 -0.701 310 HB3 LEU 42 HB1 LEU 42 4.644 10.945 -0.846 311 HG LEU 42 HG LEU 42 2.195 11.747 -1.071 312 HD11 LEU 42 HD11 LEU 42 2.746 9.500 0.885 313 HD12 LEU 42 HD12 LEU 42 2.750 9.377 -0.873 314 HD13 LEU 42 HD13 LEU 42 1.255 9.752 -0.027 315 HD21 LEU 42 HD21 LEU 42 2.188 13.267 0.863 316 HD22 LEU 42 HD22 LEU 42 2.376 11.892 1.955 317 HD23 LEU 42 HD23 LEU 42 0.918 12.053 0.979 318 H ILE 43 HN ILE 43 6.361 9.709 0.453 319 HA ILE 43 HA ILE 43 4.978 7.691 1.892 320 HB ILE 43 HB ILE 43 7.496 7.727 0.235 321 HG12 ILE 43 HG12 ILE 43 6.341 5.877 -0.993 322 HG13 ILE 43 HG11 ILE 43 5.029 5.909 0.179 323 HG21 ILE 43 HG21 ILE 43 8.017 5.349 0.722 324 HG22 ILE 43 HG22 ILE 43 6.836 5.365 2.032 325 HG23 ILE 43 HG23 ILE 43 8.272 6.386 2.127 326 HD11 ILE 43 HD11 ILE 43 4.402 6.973 -1.882 327 HD12 ILE 43 HD12 ILE 43 5.759 8.092 -1.762 328 HD13 ILE 43 HD13 ILE 43 4.445 8.165 -0.583 329 H VAL 44 HN VAL 44 8.044 9.471 2.662 330 HA VAL 44 HA VAL 44 8.621 7.928 4.974 331 HB VAL 44 HB VAL 44 10.216 9.636 5.655 332 HG11 VAL 44 HG11 VAL 44 11.718 9.600 3.697 333 HG12 VAL 44 HG12 VAL 44 10.372 9.091 2.679 334 HG13 VAL 44 HG13 VAL 44 10.953 8.031 3.965 335 HG21 VAL 44 HG21 VAL 44 8.973 11.688 5.123 336 HG22 VAL 44 HG22 VAL 44 9.160 11.360 3.398 337 HG23 VAL 44 HG23 VAL 44 10.578 11.717 4.384 338 H SER 45 HN SER 45 6.560 10.728 4.475 339 HA SER 45 HA SER 45 5.969 11.328 7.181 340 HB2 SER 45 HB2 SER 45 4.239 11.647 4.698 341 HB3 SER 45 HB1 SER 45 3.849 12.335 6.275 342 HG SER 45 HG SER 45 5.592 13.196 4.381 343 H LEU 46 HN LEU 46 4.553 8.968 4.907 344 HA LEU 46 HA LEU 46 2.545 8.002 6.711 345 HB2 LEU 46 HB2 LEU 46 3.796 6.587 4.324 346 HB3 LEU 46 HB1 LEU 46 2.283 6.148 5.109 347 HG LEU 46 HG LEU 46 2.800 8.719 3.549 348 HD11 LEU 46 HD11 LEU 46 1.093 6.323 2.815 349 HD12 LEU 46 HD12 LEU 46 2.634 6.780 2.083 350 HD13 LEU 46 HD13 LEU 46 1.230 7.826 1.894 351 HD21 LEU 46 HD21 LEU 46 0.239 7.780 4.883 352 HD22 LEU 46 HD22 LEU 46 0.392 9.181 3.817 353 HD23 LEU 46 HD23 LEU 46 1.234 9.159 5.363 354 H GLU 47 HN GLU 47 5.885 7.130 6.064 355 HA GLU 47 HA GLU 47 6.142 4.719 7.481 356 HB2 GLU 47 HB2 GLU 47 8.219 6.911 7.042 357 HB3 GLU 47 HB1 GLU 47 8.584 5.281 7.599 358 HG2 GLU 47 HG2 GLU 47 7.323 5.898 4.921 359 HG3 GLU 47 HG1 GLU 47 9.055 5.758 5.161 360 H VAL 48 HN VAL 48 6.751 8.089 8.553 361 HA VAL 48 HA VAL 48 7.345 7.297 11.239 362 HB VAL 48 HB VAL 48 7.430 9.732 11.762 363 HG11 VAL 48 HG11 VAL 48 9.414 10.239 10.357 364 HG12 VAL 48 HG12 VAL 48 8.980 8.908 9.281 365 HG13 VAL 48 HG13 VAL 48 9.438 8.571 10.952 366 HG21 VAL 48 HG21 VAL 48 7.254 11.422 9.961 367 HG22 VAL 48 HG22 VAL 48 5.718 10.595 10.211 368 HG23 VAL 48 HG23 VAL 48 6.722 10.158 8.832 369 H HIS 49 HN HIS 49 4.492 8.876 9.755 370 HA HIS 49 HA HIS 49 3.111 9.361 12.183 371 HB2 HIS 49 HB2 HIS 49 2.273 9.439 9.271 372 HB3 HIS 49 HB1 HIS 49 1.069 9.639 10.538 373 HD1 HIS 49 HD1 HIS 49 1.089 11.820 11.873 374 HD2 HIS 49 HD2 HIS 49 4.085 11.622 9.015 375 HE1 HIS 49 HE1 HIS 49 2.105 14.113 11.805 376 HE2 HIS 49 HE2 HIS 49 4.025 13.915 10.202 377 H TYR 50 HN TYR 50 2.466 6.871 9.662 378 HA TYR 50 HA TYR 50 0.532 5.552 11.458 379 HB2 TYR 50 HB2 TYR 50 1.214 5.014 8.539 380 HB3 TYR 50 HB1 TYR 50 -0.055 4.202 9.447 381 HD1 TYR 50 HD1 TYR 50 -2.125 5.449 10.118 382 HD2 TYR 50 HD2 TYR 50 0.876 7.268 7.669 383 HE1 TYR 50 HE1 TYR 50 -3.716 7.210 9.480 384 HE2 TYR 50 HE2 TYR 50 -0.724 9.020 7.026 385 HH TYR 50 HH TYR 50 -3.155 9.348 6.905 386 H LYS 51 HN LYS 51 3.796 5.369 10.832 387 HA LYS 51 HA LYS 51 5.471 3.964 11.315 388 HB2 LYS 51 HB2 LYS 51 3.332 2.513 12.912 389 HB3 LYS 51 HB1 LYS 51 4.994 1.946 12.863 390 HG2 LYS 51 HG2 LYS 51 4.717 3.202 14.876 391 HG3 LYS 51 HG1 LYS 51 5.730 4.156 13.790 392 HD2 LYS 51 HD2 LYS 51 3.741 5.522 13.176 393 HD3 LYS 51 HD1 LYS 51 2.760 4.582 14.303 394 HE2 LYS 51 HE2 LYS 51 4.117 5.395 16.183 395 HE3 LYS 51 HE1 LYS 51 5.161 6.279 15.067 396 HZ1 LYS 51 HZ1 LYS 51 3.562 7.740 16.068 397 HZ2 LYS 51 HZ2 LYS 51 2.277 6.777 15.534 398 HZ3 LYS 51 HZ3 LYS 51 3.238 7.601 14.412 399 H ILE 52 HN ILE 52 3.889 3.578 8.844 400 HA ILE 52 HA ILE 52 3.802 0.643 8.496 401 HB ILE 52 HB ILE 52 2.299 1.081 6.583 402 HG12 ILE 52 HG12 ILE 52 2.411 4.011 7.443 403 HG13 ILE 52 HG11 ILE 52 3.042 3.356 5.936 404 HG21 ILE 52 HG21 ILE 52 1.355 2.324 9.191 405 HG22 ILE 52 HG22 ILE 52 1.352 0.606 8.796 406 HG23 ILE 52 HG23 ILE 52 0.301 1.712 7.912 407 HD11 ILE 52 HD11 ILE 52 0.149 3.482 6.767 408 HD12 ILE 52 HD12 ILE 52 0.746 2.735 5.282 409 HD13 ILE 52 HD13 ILE 52 0.950 4.470 5.544 410 H LYS 53 HN LYS 53 4.775 -0.323 6.731 411 HA LYS 53 HA LYS 53 7.094 1.130 5.611 412 HB2 LYS 53 HB2 LYS 53 6.531 -1.815 6.155 413 HB3 LYS 53 HB1 LYS 53 7.910 -1.298 5.197 414 HG2 LYS 53 HG2 LYS 53 7.432 -0.452 8.070 415 HG3 LYS 53 HG1 LYS 53 8.413 -1.842 7.593 416 HD2 LYS 53 HD2 LYS 53 8.948 1.089 6.974 417 HD3 LYS 53 HD1 LYS 53 9.883 0.038 8.039 418 HE2 LYS 53 HE2 LYS 53 9.690 -0.102 5.010 419 HE3 LYS 53 HE1 LYS 53 11.109 0.301 5.977 420 HZ1 LYS 53 HZ1 LYS 53 9.761 -2.340 5.852 421 HZ2 LYS 53 HZ2 LYS 53 11.069 -1.969 6.851 422 HZ3 LYS 53 HZ3 LYS 53 11.257 -1.944 5.175 423 H PHE 54 HN PHE 54 7.013 1.628 3.463 424 HA PHE 54 HA PHE 54 5.469 -0.075 1.591 425 HB2 PHE 54 HB2 PHE 54 6.508 2.781 1.212 426 HB3 PHE 54 HB1 PHE 54 5.641 1.847 -0.004 427 HD1 PHE 54 HD2 PHE 54 3.215 1.331 0.268 428 HD2 PHE 54 HD1 PHE 54 5.327 3.782 3.089 429 HE1 PHE 54 HE2 PHE 54 1.090 2.136 1.200 430 HE2 PHE 54 HE1 PHE 54 3.184 4.553 3.993 431 HZ PHE 54 HZ PHE 54 1.072 3.735 3.050 432 H ALA 55 HN ALA 55 6.513 -1.202 0.107 433 HA ALA 55 HA ALA 55 9.437 -1.104 -0.136 434 HB1 ALA 55 HB1 ALA 55 9.151 -3.240 -1.356 435 HB2 ALA 55 HB2 ALA 55 7.396 -3.091 -1.220 436 HB3 ALA 55 HB3 ALA 55 8.380 -3.308 0.230 437 H LEU 56 HN LEU 56 10.410 -0.668 -2.168 438 HA LEU 56 HA LEU 56 9.175 1.219 -3.847 439 HB2 LEU 56 HB2 LEU 56 11.718 0.696 -3.413 440 HB3 LEU 56 HB1 LEU 56 11.567 -0.465 -4.712 441 HG LEU 56 HG LEU 56 12.585 1.775 -5.347 442 HD11 LEU 56 HD11 LEU 56 10.110 1.054 -6.920 443 HD12 LEU 56 HD12 LEU 56 11.713 0.340 -7.098 444 HD13 LEU 56 HD13 LEU 56 11.464 2.039 -7.487 445 HD21 LEU 56 HD21 LEU 56 9.773 2.850 -4.994 446 HD22 LEU 56 HD22 LEU 56 11.164 3.728 -5.639 447 HD23 LEU 56 HD23 LEU 56 11.158 3.204 -3.957 448 H GLY 57 HN GLY 57 9.328 -2.298 -4.038 449 HA2 GLY 57 HA2 GLY 57 8.341 -2.766 -6.636 450 HA3 GLY 57 HA1 GLY 57 8.111 -3.825 -5.251 451 H GLU 58 HN GLU 58 6.681 -1.947 -3.638 452 HA GLU 58 HA GLU 58 3.996 -2.172 -4.714 453 HB2 GLU 58 HB2 GLU 58 4.907 -0.840 -2.129 454 HB3 GLU 58 HB1 GLU 58 3.262 -1.346 -2.536 455 HG2 GLU 58 HG2 GLU 58 4.019 -3.704 -2.580 456 HG3 GLU 58 HG1 GLU 58 5.645 -3.185 -2.122 457 H LEU 59 HN LEU 59 6.413 0.371 -4.273 458 HA LEU 59 HA LEU 59 4.832 2.630 -4.908 459 HB2 LEU 59 HB2 LEU 59 7.778 2.004 -5.007 460 HB3 LEU 59 HB1 LEU 59 7.231 3.433 -5.842 461 HG LEU 59 HG LEU 59 8.153 3.864 -3.546 462 HD11 LEU 59 HD11 LEU 59 5.269 4.673 -3.938 463 HD12 LEU 59 HD12 LEU 59 6.687 5.476 -4.616 464 HD13 LEU 59 HD13 LEU 59 6.440 5.458 -2.871 465 HD21 LEU 59 HD21 LEU 59 7.301 1.893 -2.363 466 HD22 LEU 59 HD22 LEU 59 5.644 2.472 -2.548 467 HD23 LEU 59 HD23 LEU 59 6.794 3.378 -1.561 468 H GLN 60 HN GLN 60 6.555 0.281 -6.979 469 HA GLN 60 HA GLN 60 5.944 1.257 -9.520 470 HB2 GLN 60 HB2 GLN 60 5.858 -1.687 -8.740 471 HB3 GLN 60 HB1 GLN 60 6.182 -1.037 -10.340 472 HG2 GLN 60 HG2 GLN 60 7.999 -0.693 -7.941 473 HG3 GLN 60 HG1 GLN 60 8.178 -1.953 -9.150 474 HE21 GLN 60 HE21 GLN 60 10.263 -1.265 -9.651 475 HE22 GLN 60 HE22 GLN 60 10.577 0.182 -10.543 476 H LYS 61 HN LYS 61 3.823 -0.132 -7.159 477 HA LYS 61 HA LYS 61 1.555 -0.464 -9.004 478 HB2 LYS 61 HB2 LYS 61 1.797 -1.107 -6.038 479 HB3 LYS 61 HB1 LYS 61 0.434 -1.530 -7.062 480 HG2 LYS 61 HG2 LYS 61 3.157 -2.566 -7.819 481 HG3 LYS 61 HG1 LYS 61 2.344 -3.289 -6.436 482 HD2 LYS 61 HD2 LYS 61 1.881 -4.635 -8.389 483 HD3 LYS 61 HD1 LYS 61 0.388 -3.838 -7.904 484 HE2 LYS 61 HE2 LYS 61 0.676 -2.199 -9.727 485 HE3 LYS 61 HE1 LYS 61 2.199 -2.965 -10.184 486 HZ1 LYS 61 HZ1 LYS 61 -0.460 -4.272 -10.228 487 HZ2 LYS 61 HZ2 LYS 61 1.000 -4.972 -10.705 488 HZ3 LYS 61 HZ3 LYS 61 0.365 -3.671 -11.575 489 H LEU 62 HN LEU 62 2.832 1.996 -7.014 490 HA LEU 62 HA LEU 62 0.243 3.084 -6.139 491 HB2 LEU 62 HB2 LEU 62 3.097 3.991 -5.555 492 HB3 LEU 62 HB1 LEU 62 1.664 4.820 -4.963 493 HG LEU 62 HG LEU 62 2.530 1.999 -4.217 494 HD11 LEU 62 HD11 LEU 62 3.928 3.695 -3.165 495 HD12 LEU 62 HD12 LEU 62 2.902 2.910 -1.967 496 HD13 LEU 62 HD13 LEU 62 2.499 4.530 -2.548 497 HD21 LEU 62 HD21 LEU 62 0.656 2.051 -2.601 498 HD22 LEU 62 HD22 LEU 62 0.116 2.087 -4.272 499 HD23 LEU 62 HD23 LEU 62 0.099 3.566 -3.312 500 H LYS 63 HN LYS 63 -0.459 3.532 -8.388 501 HA LYS 63 HA LYS 63 0.952 5.652 -9.834 502 HB2 LYS 63 HB2 LYS 63 -0.203 3.591 -10.929 503 HB3 LYS 63 HB1 LYS 63 -1.724 4.427 -10.659 504 HG2 LYS 63 HG2 LYS 63 0.577 5.591 -12.280 505 HG3 LYS 63 HG1 LYS 63 -0.717 4.637 -12.995 506 HD2 LYS 63 HD2 LYS 63 -2.372 6.331 -12.400 507 HD3 LYS 63 HD1 LYS 63 -1.179 7.237 -11.480 508 HE2 LYS 63 HE2 LYS 63 -1.542 8.354 -13.591 509 HE3 LYS 63 HE1 LYS 63 0.083 7.665 -13.592 510 HZ1 LYS 63 HZ1 LYS 63 -1.034 7.288 -15.675 511 HZ2 LYS 63 HZ2 LYS 63 -2.307 6.502 -14.895 512 HZ3 LYS 63 HZ3 LYS 63 -0.765 5.819 -14.890 513 H ASN 64 HN ASN 64 -1.861 5.241 -7.790 514 HA ASN 64 HA ASN 64 -2.394 8.155 -7.851 515 HB2 ASN 64 HB2 ASN 64 -4.579 5.994 -7.924 516 HB3 ASN 64 HB1 ASN 64 -4.852 7.731 -7.792 517 HD21 ASN 64 HD21 ASN 64 -3.980 5.124 -9.915 518 HD22 ASN 64 HD22 ASN 64 -4.133 6.003 -11.396 519 H VAL 65 HN VAL 65 -3.811 8.769 -6.013 520 HA VAL 65 HA VAL 65 -2.872 7.864 -3.492 521 HB VAL 65 HB VAL 65 -5.280 9.668 -4.063 522 HG11 VAL 65 HG11 VAL 65 -4.886 10.576 -1.790 523 HG12 VAL 65 HG12 VAL 65 -3.576 9.418 -1.551 524 HG13 VAL 65 HG13 VAL 65 -5.234 8.846 -1.734 525 HG21 VAL 65 HG21 VAL 65 -3.241 10.554 -5.154 526 HG22 VAL 65 HG22 VAL 65 -2.374 10.477 -3.618 527 HG23 VAL 65 HG23 VAL 65 -3.738 11.582 -3.808 528 H GLY 66 HN GLY 66 -5.482 6.845 -5.539 529 HA2 GLY 66 HA2 GLY 66 -7.104 5.466 -3.649 530 HA3 GLY 66 HA1 GLY 66 -6.989 5.129 -5.371 531 H ASP 67 HN ASP 67 -4.264 4.562 -5.554 532 HA ASP 67 HA ASP 67 -4.026 1.883 -4.666 533 HB2 ASP 67 HB2 ASP 67 -1.862 3.798 -5.652 534 HB3 ASP 67 HB1 ASP 67 -1.671 2.054 -5.477 535 H LEU 68 HN LEU 68 -2.738 4.990 -3.402 536 HA LEU 68 HA LEU 68 -1.369 3.920 -1.171 537 HB2 LEU 68 HB2 LEU 68 -2.502 6.659 -1.767 538 HB3 LEU 68 HB1 LEU 68 -2.002 6.313 -0.129 539 HG LEU 68 HG LEU 68 -0.220 7.475 -1.225 540 HD11 LEU 68 HD11 LEU 68 0.474 5.751 0.352 541 HD12 LEU 68 HD12 LEU 68 1.659 5.927 -0.940 542 HD13 LEU 68 HD13 LEU 68 0.548 4.554 -0.945 543 HD21 LEU 68 HD21 LEU 68 0.911 6.662 -3.238 544 HD22 LEU 68 HD22 LEU 68 -0.790 7.004 -3.556 545 HD23 LEU 68 HD23 LEU 68 -0.246 5.332 -3.372 546 H ALA 69 HN ALA 69 -4.782 4.802 -1.628 547 HA ALA 69 HA ALA 69 -5.651 4.636 1.040 548 HB1 ALA 69 HB1 ALA 69 -7.907 4.307 0.105 549 HB2 ALA 69 HB2 ALA 69 -7.210 3.968 -1.481 550 HB3 ALA 69 HB3 ALA 69 -7.042 5.574 -0.769 551 H ASP 70 HN ASP 70 -5.388 2.208 -1.502 552 HA ASP 70 HA ASP 70 -6.269 -0.081 -0.092 553 HB2 ASP 70 HB2 ASP 70 -4.230 0.028 -2.357 554 HB3 ASP 70 HB1 ASP 70 -5.148 -1.393 -1.851 555 H LEU 71 HN LEU 71 -2.996 1.132 -0.777 556 HA LEU 71 HA LEU 71 -1.594 -1.000 0.407 557 HB2 LEU 71 HB2 LEU 71 -0.902 1.532 -0.934 558 HB3 LEU 71 HB1 LEU 71 0.212 1.186 0.362 559 HG LEU 71 HG LEU 71 1.101 0.355 -1.744 560 HD11 LEU 71 HD11 LEU 71 0.271 -1.925 0.063 561 HD12 LEU 71 HD12 LEU 71 1.679 -0.877 0.265 562 HD13 LEU 71 HD13 LEU 71 1.580 -1.954 -1.125 563 HD21 LEU 71 HD21 LEU 71 -1.385 -1.380 -1.946 564 HD22 LEU 71 HD22 LEU 71 0.014 -1.435 -3.023 565 HD23 LEU 71 HD23 LEU 71 -0.989 0.009 -2.962 566 H VAL 72 HN VAL 72 -1.957 2.369 1.591 567 HA VAL 72 HA VAL 72 -0.888 2.221 4.098 568 HB VAL 72 HB VAL 72 -3.332 3.822 3.199 569 HG11 VAL 72 HG11 VAL 72 -2.949 5.303 5.173 570 HG12 VAL 72 HG12 VAL 72 -1.732 4.172 5.766 571 HG13 VAL 72 HG13 VAL 72 -3.416 3.665 5.652 572 HG21 VAL 72 HG21 VAL 72 -0.422 4.672 3.522 573 HG22 VAL 72 HG22 VAL 72 -1.751 5.725 3.028 574 HG23 VAL 72 HG23 VAL 72 -1.247 4.392 1.987 575 H ASP 73 HN ASP 73 -4.254 1.306 3.137 576 HA ASP 73 HA ASP 73 -5.083 0.646 5.799 577 HB2 ASP 73 HB2 ASP 73 -6.673 1.162 3.900 578 HB3 ASP 73 HB1 ASP 73 -6.311 -0.424 3.227 579 H LYS 74 HN LYS 74 -3.606 -1.223 3.222 580 HA LYS 74 HA LYS 74 -3.989 -3.821 4.398 581 HB2 LYS 74 HB2 LYS 74 -1.908 -2.978 2.335 582 HB3 LYS 74 HB1 LYS 74 -2.225 -4.643 2.826 583 HG2 LYS 74 HG2 LYS 74 -4.065 -2.778 1.306 584 HG3 LYS 74 HG1 LYS 74 -3.350 -4.292 0.748 585 HD2 LYS 74 HD2 LYS 74 -4.763 -5.547 2.350 586 HD3 LYS 74 HD1 LYS 74 -5.444 -4.034 2.952 587 HE2 LYS 74 HE2 LYS 74 -6.325 -3.607 0.604 588 HE3 LYS 74 HE1 LYS 74 -5.820 -5.248 0.188 589 HZ1 LYS 74 HZ1 LYS 74 -7.749 -4.504 2.308 590 HZ2 LYS 74 HZ2 LYS 74 -7.272 -6.083 1.933 591 HZ3 LYS 74 HZ3 LYS 74 -8.136 -5.167 0.803 592 H LYS 75 HN LYS 75 -1.509 -1.359 4.644 593 HA LYS 75 HA LYS 75 0.370 -2.864 6.184 594 HB2 LYS 75 HB2 LYS 75 0.025 0.153 5.895 595 HB3 LYS 75 HB1 LYS 75 1.429 -0.661 6.581 596 HG2 LYS 75 HG2 LYS 75 0.498 -0.820 3.707 597 HG3 LYS 75 HG1 LYS 75 1.890 0.086 4.310 598 HD2 LYS 75 HD2 LYS 75 3.022 -1.958 4.940 599 HD3 LYS 75 HD1 LYS 75 1.596 -2.930 4.554 600 HE2 LYS 75 HE2 LYS 75 1.817 -2.334 2.180 601 HE3 LYS 75 HE1 LYS 75 3.212 -1.320 2.557 602 HZ1 LYS 75 HZ1 LYS 75 3.038 -4.243 2.954 603 HZ2 LYS 75 HZ2 LYS 75 4.372 -3.275 3.328 604 HZ3 LYS 75 HZ3 LYS 75 3.876 -3.450 1.724 605 H LEU 76 HN LEU 76 -2.272 -0.644 6.877 606 HA LEU 76 HA LEU 76 -2.003 -0.559 9.707 607 HB2 LEU 76 HB2 LEU 76 -4.383 -0.009 7.892 608 HB3 LEU 76 HB1 LEU 76 -4.402 0.270 9.628 609 HG LEU 76 HG LEU 76 -2.554 1.680 7.654 610 HD11 LEU 76 HD11 LEU 76 -4.859 2.403 7.362 611 HD12 LEU 76 HD12 LEU 76 -3.885 3.688 8.078 612 HD13 LEU 76 HD13 LEU 76 -4.996 2.754 9.090 613 HD21 LEU 76 HD21 LEU 76 -2.890 2.144 10.639 614 HD22 LEU 76 HD22 LEU 76 -1.916 3.131 9.545 615 HD23 LEU 76 HD23 LEU 76 -1.476 1.450 9.839 616 H ALA 77 HN ALA 77 -3.608 -2.758 7.468 617 HA ALA 77 HA ALA 77 -4.947 -4.400 9.371 618 HB1 ALA 77 HB1 ALA 77 -5.019 -6.097 7.573 619 HB2 ALA 77 HB2 ALA 77 -3.855 -5.161 6.630 620 HB3 ALA 77 HB3 ALA 77 -5.458 -4.502 6.955 621 H ARG 78 HN ARG 78 -1.646 -4.385 8.046 622 HA ARG 78 HA ARG 78 -0.717 -6.692 9.481 623 HB2 ARG 78 HB2 ARG 78 1.000 -4.410 8.412 624 HB3 ARG 78 HB1 ARG 78 1.531 -6.044 8.801 625 HG2 ARG 78 HG2 ARG 78 -0.215 -5.169 6.488 626 HG3 ARG 78 HG1 ARG 78 1.412 -5.839 6.414 627 HD2 ARG 78 HD2 ARG 78 -1.046 -7.356 7.367 628 HD3 ARG 78 HD1 ARG 78 -0.359 -7.458 5.747 629 HE ARG 78 HE ARG 78 1.735 -8.080 7.347 630 HH11 ARG 78 HH11 ARG 78 -1.495 -9.430 7.037 631 HH12 ARG 78 HH12 ARG 78 -1.007 -11.009 7.555 632 HH21 ARG 78 HH21 ARG 78 2.362 -10.134 8.002 633 HH22 ARG 78 HH22 ARG 78 1.190 -11.413 8.102 634 H LYS 79 HN LYS 79 -1.263 -3.374 10.394 635 HA LYS 79 HA LYS 79 0.306 -3.461 12.810 636 HB2 LYS 79 HB2 LYS 79 -1.908 -1.551 11.956 637 HB3 LYS 79 HB1 LYS 79 -0.891 -1.342 13.379 638 HG2 LYS 79 HG2 LYS 79 -0.020 -1.268 10.477 639 HG3 LYS 79 HG1 LYS 79 -0.063 0.080 11.616 640 HD2 LYS 79 HD2 LYS 79 1.733 -0.920 12.940 641 HD3 LYS 79 HD1 LYS 79 1.719 -2.370 11.935 642 HE2 LYS 79 HE2 LYS 79 2.403 -0.975 9.983 643 HE3 LYS 79 HE1 LYS 79 2.525 0.417 11.063 644 HZ1 LYS 79 HZ1 LYS 79 4.061 -2.099 11.362 645 HZ2 LYS 79 HZ2 LYS 79 4.222 -0.697 12.295 646 HZ3 LYS 79 HZ3 LYS 79 4.647 -0.676 10.662 647 H LEU 80 HN LEU 80 -3.036 -4.329 11.982 648 HA LEU 80 HA LEU 80 -3.836 -4.827 14.694 649 HB2 LEU 80 HB2 LEU 80 -4.934 -5.730 12.021 650 HB3 LEU 80 HB1 LEU 80 -5.522 -6.481 13.488 651 HG LEU 80 HG LEU 80 -7.099 -4.780 12.882 652 HD11 LEU 80 HD11 LEU 80 -5.456 -3.702 15.193 653 HD12 LEU 80 HD12 LEU 80 -6.672 -4.980 15.288 654 HD13 LEU 80 HD13 LEU 80 -7.154 -3.342 14.849 655 HD21 LEU 80 HD21 LEU 80 -5.730 -3.409 11.405 656 HD22 LEU 80 HD22 LEU 80 -4.826 -2.774 12.783 657 HD23 LEU 80 HD23 LEU 80 -6.546 -2.405 12.605 658 H GLU 81 HN GLU 81 -2.193 -6.740 12.210 659 HA GLU 81 HA GLU 81 -1.748 -9.066 13.793 660 HB2 GLU 81 HB2 GLU 81 0.148 -7.960 11.664 661 HB3 GLU 81 HB1 GLU 81 -0.006 -9.632 12.197 662 HG2 GLU 81 HG2 GLU 81 -2.029 -8.043 10.582 663 HG3 GLU 81 HG1 GLU 81 -0.982 -9.325 9.980 664 H HIS 82 HN HIS 82 -0.660 -9.092 15.691 665 HA HIS 82 HA HIS 82 0.041 -6.624 16.849 666 HB2 HIS 82 HB2 HIS 82 0.328 -9.442 17.952 667 HB3 HIS 82 HB1 HIS 82 0.562 -7.979 18.904 668 HD1 HIS 82 HD1 HIS 82 -1.973 -10.369 18.105 669 HD2 HIS 82 HD2 HIS 82 -1.929 -6.271 18.781 670 HE1 HIS 82 HE1 HIS 82 -4.334 -9.755 18.679 671 HE2 HIS 82 HE2 HIS 82 -4.314 -7.253 18.905 672 H HIS 83 HN HIS 83 1.727 -5.862 15.531 673 HA HIS 83 HA HIS 83 4.378 -6.363 16.672 674 HB2 HIS 83 HB2 HIS 83 3.812 -6.257 13.660 675 HB3 HIS 83 HB1 HIS 83 5.415 -6.025 14.343 676 HD1 HIS 83 HD1 HIS 83 6.760 -8.093 14.826 677 HD2 HIS 83 HD2 HIS 83 2.785 -8.970 13.991 678 HE1 HIS 83 HE1 HIS 83 6.656 -10.589 14.626 679 HE2 HIS 83 HE2 HIS 83 4.227 -11.114 14.220 680 H HIS 84 HN HIS 84 3.843 -4.477 17.880 681 HA HIS 84 HA HIS 84 3.334 -1.965 16.405 682 HB2 HIS 84 HB2 HIS 84 1.674 -2.649 18.175 683 HB3 HIS 84 HB1 HIS 84 2.945 -2.532 19.383 684 HD1 HIS 84 HD1 HIS 84 0.502 -0.533 17.493 685 HD2 HIS 84 HD2 HIS 84 3.805 0.189 19.899 686 HE1 HIS 84 HE1 HIS 84 0.389 1.904 18.064 687 HE2 HIS 84 HE2 HIS 84 2.284 2.269 19.685 688 H HIS 85 HN HIS 85 5.009 -0.657 16.144 689 HA HIS 85 HA HIS 85 6.891 -0.124 18.323 690 HB2 HIS 85 HB2 HIS 85 8.047 -1.822 16.912 691 HB3 HIS 85 HB1 HIS 85 7.795 -0.828 15.480 692 HD1 HIS 85 HD1 HIS 85 9.622 0.816 14.966 693 HD2 HIS 85 HD2 HIS 85 9.804 -0.551 18.881 694 HE1 HIS 85 HE1 HIS 85 11.723 1.801 15.922 695 HE2 HIS 85 HE2 HIS 85 11.880 0.836 18.244 696 H HIS 86 HN HIS 86 7.298 2.026 18.448 697 HA HIS 86 HA HIS 86 5.723 3.796 16.788 698 HB2 HIS 86 HB2 HIS 86 6.140 5.477 18.405 699 HB3 HIS 86 HB1 HIS 86 6.048 3.999 19.344 700 HD1 HIS 86 HD1 HIS 86 8.141 6.918 18.825 701 HD2 HIS 86 HD2 HIS 86 8.765 2.987 20.024 702 HE1 HIS 86 HE1 HIS 86 10.388 6.901 19.954 703 HE2 HIS 86 HE2 HIS 86 10.681 4.537 20.772 704 H HIS 87 HN HIS 87 6.729 5.968 16.173 705 HA HIS 87 HA HIS 87 9.569 5.931 15.415 706 HB2 HIS 87 HB2 HIS 87 7.265 6.589 13.518 707 HB3 HIS 87 HB1 HIS 87 8.921 7.092 13.214 708 HD1 HIS 87 HD1 HIS 87 6.805 4.730 11.958 709 HD2 HIS 87 HD2 HIS 87 10.616 4.424 13.569 710 HE1 HIS 87 HE1 HIS 87 7.711 2.552 11.125 711 HE2 HIS 87 HE2 HIS 87 10.074 2.474 11.970 712 H282 PNS 88 H282 PNS 88 7.278 12.602 -10.150 713 H281 PNS 88 H281 PNS 88 7.857 11.606 -11.496 714 H303 PNS 88 H303 PNS 88 4.590 10.063 -10.187 715 H302 PNS 88 H302 PNS 88 4.984 11.783 -10.332 716 H301 PNS 88 H301 PNS 88 5.326 10.685 -11.673 717 H313 PNS 88 H313 PNS 88 6.200 11.422 -8.102 718 H312 PNS 88 H312 PNS 88 5.893 9.686 -8.158 719 H311 PNS 88 H311 PNS 88 7.549 10.281 -8.014 720 H32 PNS 88 H32 PNS 88 7.478 9.171 -11.593 721 H33 PNS 88 H33 PNS 88 8.336 8.332 -9.041 722 H36 PNS 88 H36 PNS 88 5.167 8.505 -11.821 723 H372 PNS 88 H372 PNS 88 3.565 6.921 -11.912 724 H371 PNS 88 H371 PNS 88 4.740 5.807 -11.199 725 H382 PNS 88 H382 PNS 88 2.778 5.984 -9.778 726 H381 PNS 88 H381 PNS 88 4.200 6.641 -8.982 727 H41 PNS 88 H41 PNS 88 2.240 7.379 -7.675 728 H422 PNS 88 H422 PNS 88 2.057 10.045 -7.397 729 H421 PNS 88 H421 PNS 88 0.807 9.730 -8.610 730 H431 PNS 88 H431 PNS 88 -0.305 8.172 -7.085 731 H432 PNS 88 H432 PNS 88 -0.138 9.754 -6.325 732 H44 PNS 88 H44 PNS 88 2.116 8.987 -4.819 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -13.464 2.257 6.800 2 H2 MET 1 HT2 MET 1 -12.956 2.443 8.398 3 H3 MET 1 HT3 MET 1 -12.982 0.907 7.696 4 HA MET 1 HA MET 1 -10.769 1.736 7.852 5 HB2 MET 1 HB2 MET 1 -10.122 1.450 5.444 6 HB3 MET 1 HB1 MET 1 -11.228 0.217 6.019 7 HG2 MET 1 HG2 MET 1 -13.088 1.334 4.878 8 HG3 MET 1 HG1 MET 1 -11.989 2.598 4.319 9 HE1 MET 1 HE1 MET 1 -13.945 0.665 2.451 10 HE2 MET 1 HE2 MET 1 -12.865 0.454 1.071 11 HE3 MET 1 HE3 MET 1 -13.015 2.033 1.841 12 HA PRO 2 HA PRO 2 -10.610 6.235 7.241 13 HB2 PRO 2 HB2 PRO 2 -8.559 6.751 8.858 14 HB3 PRO 2 HB1 PRO 2 -10.028 6.034 9.541 15 HG2 PRO 2 HG2 PRO 2 -7.405 4.714 8.872 16 HG3 PRO 2 HG1 PRO 2 -8.470 4.439 10.267 17 HD2 PRO 2 HD2 PRO 2 -8.412 2.905 7.863 18 HD3 PRO 2 HD1 PRO 2 -9.660 2.828 9.129 19 H THR 3 HN THR 3 -9.720 4.764 5.024 20 HA THR 3 HA THR 3 -6.926 4.752 4.598 21 HB THR 3 HB THR 3 -7.483 4.129 2.263 22 HG1 THR 3 HG1 THR 3 -9.487 4.315 1.486 23 HG21 THR 3 HG21 THR 3 -9.206 2.693 4.317 24 HG22 THR 3 HG22 THR 3 -7.497 2.372 4.006 25 HG23 THR 3 HG23 THR 3 -8.697 2.042 2.755 26 H LEU 4 HN LEU 4 -9.184 6.568 2.424 27 HA LEU 4 HA LEU 4 -7.260 8.493 1.610 28 HB2 LEU 4 HB2 LEU 4 -10.304 8.657 1.552 29 HB3 LEU 4 HB1 LEU 4 -9.239 9.793 0.738 30 HG LEU 4 HG LEU 4 -9.558 6.840 0.064 31 HD11 LEU 4 HD11 LEU 4 -10.568 7.618 -2.027 32 HD12 LEU 4 HD12 LEU 4 -10.439 9.295 -1.489 33 HD13 LEU 4 HD13 LEU 4 -11.487 8.165 -0.628 34 HD21 LEU 4 HD21 LEU 4 -7.251 7.522 -0.342 35 HD22 LEU 4 HD22 LEU 4 -7.792 8.915 -1.285 36 HD23 LEU 4 HD23 LEU 4 -8.093 7.275 -1.869 37 H ASP 5 HN ASP 5 -9.637 8.348 4.151 38 HA ASP 5 HA ASP 5 -9.952 10.963 4.977 39 HB2 ASP 5 HB2 ASP 5 -9.988 8.473 6.739 40 HB3 ASP 5 HB1 ASP 5 -10.727 10.023 7.138 41 H ALA 6 HN ALA 6 -7.585 8.605 6.201 42 HA ALA 6 HA ALA 6 -6.360 10.476 8.054 43 HB1 ALA 6 HB1 ALA 6 -4.860 8.624 8.639 44 HB2 ALA 6 HB2 ALA 6 -5.475 7.671 7.282 45 HB3 ALA 6 HB3 ALA 6 -6.539 8.082 8.627 46 H LEU 7 HN LEU 7 -5.810 9.347 4.796 47 HA LEU 7 HA LEU 7 -3.093 10.225 4.543 48 HB2 LEU 7 HB2 LEU 7 -5.232 9.639 2.455 49 HB3 LEU 7 HB1 LEU 7 -3.571 10.036 2.054 50 HG LEU 7 HG LEU 7 -4.426 7.594 3.647 51 HD11 LEU 7 HD11 LEU 7 -3.844 6.290 1.647 52 HD12 LEU 7 HD12 LEU 7 -3.538 7.782 0.752 53 HD13 LEU 7 HD13 LEU 7 -5.164 7.414 1.333 54 HD21 LEU 7 HD21 LEU 7 -2.098 6.850 3.401 55 HD22 LEU 7 HD22 LEU 7 -2.191 8.369 4.283 56 HD23 LEU 7 HD23 LEU 7 -1.686 8.365 2.593 57 H THR 8 HN THR 8 -6.258 11.808 4.114 58 HA THR 8 HA THR 8 -5.556 13.867 2.396 59 HB THR 8 HB THR 8 -7.713 14.028 4.552 60 HG1 THR 8 HG1 THR 8 -8.423 12.408 3.347 61 HG21 THR 8 HG21 THR 8 -7.218 16.232 3.514 62 HG22 THR 8 HG22 THR 8 -8.803 15.631 3.029 63 HG23 THR 8 HG23 THR 8 -7.441 15.522 1.913 64 HA PRO 9 HA PRO 9 -4.355 16.791 6.216 65 HB2 PRO 9 HB2 PRO 9 -3.421 15.394 8.461 66 HB3 PRO 9 HB1 PRO 9 -5.031 16.113 8.315 67 HG2 PRO 9 HG2 PRO 9 -4.170 13.270 7.839 68 HG3 PRO 9 HG1 PRO 9 -5.613 13.875 8.679 69 HD2 PRO 9 HD2 PRO 9 -5.786 12.954 6.167 70 HD3 PRO 9 HD1 PRO 9 -6.733 14.376 6.666 71 H ILE 10 HN ILE 10 -2.793 13.659 5.567 72 HA ILE 10 HA ILE 10 -0.104 14.461 6.157 73 HB ILE 10 HB ILE 10 -1.000 12.185 4.330 74 HG12 ILE 10 HG12 ILE 10 -1.937 11.908 6.607 75 HG13 ILE 10 HG11 ILE 10 -0.717 10.683 6.276 76 HG21 ILE 10 HG21 ILE 10 1.250 11.213 4.757 77 HG22 ILE 10 HG22 ILE 10 1.701 12.666 5.647 78 HG23 ILE 10 HG23 ILE 10 1.342 12.764 3.922 79 HD11 ILE 10 HD11 ILE 10 -0.333 13.157 7.958 80 HD12 ILE 10 HD12 ILE 10 0.900 11.937 7.627 81 HD13 ILE 10 HD13 ILE 10 -0.547 11.506 8.532 82 H PHE 11 HN PHE 11 -1.991 14.207 3.131 83 HA PHE 11 HA PHE 11 0.114 15.049 1.372 84 HB2 PHE 11 HB2 PHE 11 -2.908 14.838 1.008 85 HB3 PHE 11 HB1 PHE 11 -1.833 15.364 -0.282 86 HD1 PHE 11 HD2 PHE 11 -1.772 12.513 2.196 87 HD2 PHE 11 HD1 PHE 11 -1.561 13.692 -1.901 88 HE1 PHE 11 HE2 PHE 11 -1.459 10.172 1.538 89 HE2 PHE 11 HE1 PHE 11 -1.251 11.342 -2.542 90 HZ PHE 11 HZ PHE 11 -1.201 9.578 -0.834 91 H ARG 12 HN ARG 12 -2.663 16.681 2.904 92 HA ARG 12 HA ARG 12 -2.362 19.282 1.965 93 HB2 ARG 12 HB2 ARG 12 -3.323 18.232 4.652 94 HB3 ARG 12 HB1 ARG 12 -3.360 19.951 4.264 95 HG2 ARG 12 HG2 ARG 12 -4.889 19.517 2.388 96 HG3 ARG 12 HG1 ARG 12 -4.820 17.782 2.714 97 HD2 ARG 12 HD2 ARG 12 -5.945 18.066 4.835 98 HD3 ARG 12 HD1 ARG 12 -5.840 19.828 4.718 99 HE ARG 12 HE ARG 12 -7.214 19.168 2.490 100 HH11 ARG 12 HH11 ARG 12 -7.757 18.252 5.835 101 HH12 ARG 12 HH12 ARG 12 -9.480 18.224 5.664 102 HH21 ARG 12 HH21 ARG 12 -9.450 19.073 2.270 103 HH22 ARG 12 HH22 ARG 12 -10.444 18.689 3.642 104 H GLN 13 HN GLN 13 -0.520 17.603 4.468 105 HA GLN 13 HA GLN 13 0.878 19.944 5.395 106 HB2 GLN 13 HB2 GLN 13 0.399 18.039 6.902 107 HB3 GLN 13 HB1 GLN 13 1.398 16.988 5.908 108 HG2 GLN 13 HG2 GLN 13 2.567 17.675 7.945 109 HG3 GLN 13 HG1 GLN 13 3.397 18.271 6.510 110 HE21 GLN 13 HE21 GLN 13 3.426 20.508 6.098 111 HE22 GLN 13 HE22 GLN 13 2.973 21.677 7.286 112 H VAL 14 HN VAL 14 1.870 17.018 3.602 113 HA VAL 14 HA VAL 14 4.561 17.596 3.187 114 HB VAL 14 HB VAL 14 2.618 15.853 1.608 115 HG11 VAL 14 HG11 VAL 14 4.591 14.742 0.560 116 HG12 VAL 14 HG12 VAL 14 5.630 15.996 1.234 117 HG13 VAL 14 HG13 VAL 14 4.403 16.419 0.041 118 HG21 VAL 14 HG21 VAL 14 4.780 15.132 3.623 119 HG22 VAL 14 HG22 VAL 14 3.728 13.986 2.787 120 HG23 VAL 14 HG23 VAL 14 3.040 15.145 3.926 121 H PHE 15 HN PHE 15 1.846 18.060 0.910 122 HA PHE 15 HA PHE 15 3.548 19.399 -1.043 123 HB2 PHE 15 HB2 PHE 15 0.551 18.798 -1.123 124 HB3 PHE 15 HB1 PHE 15 1.519 19.375 -2.479 125 HD1 PHE 15 HD1 PHE 15 3.371 17.898 -3.405 126 HD2 PHE 15 HD2 PHE 15 0.508 16.451 -0.576 127 HE1 PHE 15 HE1 PHE 15 3.983 15.580 -3.946 128 HE2 PHE 15 HE2 PHE 15 1.135 14.143 -1.126 129 HZ PHE 15 HZ PHE 15 2.873 13.707 -2.810 130 H ASP 16 HN ASP 16 1.545 20.286 1.586 131 HA ASP 16 HA ASP 16 1.090 22.229 2.604 132 HB2 ASP 16 HB2 ASP 16 3.424 22.874 2.209 133 HB3 ASP 16 HB1 ASP 16 3.031 23.439 0.589 134 H ASP 17 HN ASP 17 -1.054 21.918 1.914 135 HA ASP 17 HA ASP 17 -2.325 24.179 0.860 136 HB2 ASP 17 HB2 ASP 17 -1.635 23.376 -1.365 137 HB3 ASP 17 HB1 ASP 17 -2.286 21.776 -1.033 138 H ASP 18 HN ASP 18 -4.048 24.197 2.204 139 HA ASP 18 HA ASP 18 -5.032 21.777 3.449 140 HB2 ASP 18 HB2 ASP 18 -6.253 23.165 4.915 141 HB3 ASP 18 HB1 ASP 18 -4.817 24.112 4.556 142 H SER 19 HN SER 19 -5.714 23.215 0.514 143 HA SER 19 HA SER 19 -8.592 22.768 0.430 144 HB2 SER 19 HB2 SER 19 -6.691 23.581 -1.812 145 HB3 SER 19 HB1 SER 19 -8.456 23.648 -1.863 146 HG SER 19 HG SER 19 -7.525 24.961 0.299 147 H ILE 20 HN ILE 20 -5.778 20.886 -0.082 148 HA ILE 20 HA ILE 20 -6.483 19.071 -2.076 149 HB ILE 20 HB ILE 20 -4.805 18.703 0.438 150 HG12 ILE 20 HG12 ILE 20 -4.018 18.973 -2.500 151 HG13 ILE 20 HG11 ILE 20 -3.886 20.239 -1.285 152 HG21 ILE 20 HG21 ILE 20 -5.095 16.658 -1.784 153 HG22 ILE 20 HG22 ILE 20 -5.652 16.474 -0.122 154 HG23 ILE 20 HG23 ILE 20 -3.927 16.579 -0.463 155 HD11 ILE 20 HD11 ILE 20 -2.193 18.875 -0.093 156 HD12 ILE 20 HD12 ILE 20 -1.721 19.274 -1.746 157 HD13 ILE 20 HD13 ILE 20 -2.313 17.656 -1.369 158 H VAL 21 HN VAL 21 -8.185 17.805 -2.271 159 HA VAL 21 HA VAL 21 -9.356 16.397 0.045 160 HB VAL 21 HB VAL 21 -10.962 17.607 -2.267 161 HG11 VAL 21 HG11 VAL 21 -12.980 16.752 -1.100 162 HG12 VAL 21 HG12 VAL 21 -11.959 15.972 0.107 163 HG13 VAL 21 HG13 VAL 21 -11.907 15.432 -1.570 164 HG21 VAL 21 HG21 VAL 21 -10.294 19.331 -0.625 165 HG22 VAL 21 HG22 VAL 21 -10.995 18.375 0.682 166 HG23 VAL 21 HG23 VAL 21 -12.035 19.050 -0.574 167 H LEU 22 HN LEU 22 -8.463 14.488 -0.339 168 HA LEU 22 HA LEU 22 -7.613 13.530 -2.856 169 HB2 LEU 22 HB2 LEU 22 -7.921 12.062 -0.217 170 HB3 LEU 22 HB1 LEU 22 -7.078 11.417 -1.624 171 HG LEU 22 HG LEU 22 -6.256 13.910 -0.071 172 HD11 LEU 22 HD11 LEU 22 -4.976 11.167 -0.101 173 HD12 LEU 22 HD12 LEU 22 -5.894 11.874 1.225 174 HD13 LEU 22 HD13 LEU 22 -4.370 12.598 0.731 175 HD21 LEU 22 HD21 LEU 22 -4.210 13.877 -1.432 176 HD22 LEU 22 HD22 LEU 22 -5.638 14.096 -2.435 177 HD23 LEU 22 HD23 LEU 22 -4.839 12.523 -2.377 178 H THR 23 HN THR 23 -8.367 12.001 -4.193 179 HA THR 23 HA THR 23 -10.899 10.588 -3.636 180 HB THR 23 HB THR 23 -11.539 10.743 -6.016 181 HG1 THR 23 HG1 THR 23 -9.425 12.572 -6.462 182 HG21 THR 23 HG21 THR 23 -10.949 13.518 -4.915 183 HG22 THR 23 HG22 THR 23 -12.395 12.560 -4.579 184 HG23 THR 23 HG23 THR 23 -12.086 13.147 -6.214 185 H ARG 24 HN ARG 24 -10.998 8.688 -5.394 186 HA ARG 24 HA ARG 24 -8.914 6.879 -5.081 187 HB2 ARG 24 HB2 ARG 24 -10.729 6.980 -7.526 188 HB3 ARG 24 HB1 ARG 24 -9.923 5.566 -6.859 189 HG2 ARG 24 HG2 ARG 24 -11.395 5.576 -4.920 190 HG3 ARG 24 HG1 ARG 24 -12.127 7.097 -5.443 191 HD2 ARG 24 HD2 ARG 24 -12.318 4.402 -6.835 192 HD3 ARG 24 HD1 ARG 24 -13.621 5.284 -6.033 193 HE ARG 24 HE ARG 24 -12.799 7.034 -7.927 194 HH11 ARG 24 HH11 ARG 24 -13.856 3.692 -8.119 195 HH12 ARG 24 HH12 ARG 24 -14.409 3.843 -9.755 196 HH21 ARG 24 HH21 ARG 24 -13.494 7.221 -10.063 197 HH22 ARG 24 HH22 ARG 24 -14.205 5.849 -10.855 198 H GLU 25 HN GLU 25 -9.589 9.011 -7.867 199 HA GLU 25 HA GLU 25 -7.140 8.113 -9.221 200 HB2 GLU 25 HB2 GLU 25 -8.231 9.100 -11.256 201 HB3 GLU 25 HB1 GLU 25 -9.151 7.808 -10.493 202 HG2 GLU 25 HG2 GLU 25 -10.394 9.813 -9.289 203 HG3 GLU 25 HG1 GLU 25 -9.769 10.751 -10.644 204 H THR 26 HN THR 26 -7.715 10.506 -7.071 205 HA THR 26 HA THR 26 -6.096 12.592 -8.111 206 HB THR 26 HB THR 26 -6.268 11.534 -5.241 207 HG1 THR 26 HG1 THR 26 -7.555 13.724 -6.543 208 HG21 THR 26 HG21 THR 26 -5.105 14.172 -6.232 209 HG22 THR 26 HG22 THR 26 -4.201 12.851 -5.483 210 HG23 THR 26 HG23 THR 26 -5.393 13.754 -4.545 211 H SER 27 HN SER 27 -3.792 12.768 -8.154 212 HA SER 27 HA SER 27 -2.012 10.645 -7.450 213 HB2 SER 27 HB2 SER 27 -1.483 9.843 -9.722 214 HB3 SER 27 HB1 SER 27 -3.197 9.575 -9.386 215 HG SER 27 HG SER 27 -3.099 10.479 -11.387 216 H ALA 28 HN ALA 28 0.110 10.984 -8.939 217 HA ALA 28 HA ALA 28 1.108 13.572 -8.599 218 HB1 ALA 28 HB1 ALA 28 2.455 11.539 -8.628 219 HB2 ALA 28 HB2 ALA 28 3.048 12.714 -9.803 220 HB3 ALA 28 HB3 ALA 28 2.107 11.320 -10.344 221 H ASN 29 HN ASN 29 -0.840 12.300 -11.165 222 HA ASN 29 HA ASN 29 -0.063 14.329 -13.124 223 HB2 ASN 29 HB2 ASN 29 -0.651 12.115 -13.981 224 HB3 ASN 29 HB1 ASN 29 -2.195 12.143 -13.137 225 HD21 ASN 29 HD21 ASN 29 -0.348 13.574 -15.776 226 HD22 ASN 29 HD22 ASN 29 -1.716 14.094 -16.699 227 H ASP 30 HN ASP 30 -2.679 13.592 -10.850 228 HA ASP 30 HA ASP 30 -4.389 15.789 -11.595 229 HB2 ASP 30 HB2 ASP 30 -5.373 13.766 -10.654 230 HB3 ASP 30 HB1 ASP 30 -4.382 13.895 -9.210 231 H ILE 31 HN ILE 31 -1.565 15.502 -9.622 232 HA ILE 31 HA ILE 31 -2.043 18.187 -8.453 233 HB ILE 31 HB ILE 31 -0.357 15.929 -7.251 234 HG12 ILE 31 HG12 ILE 31 -3.037 17.101 -6.363 235 HG13 ILE 31 HG11 ILE 31 -2.736 15.457 -6.907 236 HG21 ILE 31 HG21 ILE 31 -0.872 18.718 -6.139 237 HG22 ILE 31 HG22 ILE 31 0.652 18.149 -6.824 238 HG23 ILE 31 HG23 ILE 31 0.038 17.433 -5.334 239 HD11 ILE 31 HD11 ILE 31 -3.065 15.513 -4.523 240 HD12 ILE 31 HD12 ILE 31 -1.780 16.704 -4.328 241 HD13 ILE 31 HD13 ILE 31 -1.394 15.071 -4.869 242 H ASP 32 HN ASP 32 -0.989 19.499 -9.827 243 HA ASP 32 HA ASP 32 1.246 18.893 -11.429 244 HB2 ASP 32 HB2 ASP 32 -0.312 20.759 -11.920 245 HB3 ASP 32 HB1 ASP 32 0.229 21.608 -10.479 246 H ALA 33 HN ALA 33 0.978 20.385 -8.226 247 HA ALA 33 HA ALA 33 3.726 21.046 -7.844 248 HB1 ALA 33 HB1 ALA 33 1.912 22.079 -6.539 249 HB2 ALA 33 HB2 ALA 33 3.122 21.353 -5.483 250 HB3 ALA 33 HB3 ALA 33 1.580 20.532 -5.754 251 H TRP 34 HN TRP 34 2.253 17.992 -7.942 252 HA TRP 34 HA TRP 34 3.929 16.603 -6.064 253 HB2 TRP 34 HB2 TRP 34 1.640 15.823 -7.044 254 HB3 TRP 34 HB1 TRP 34 2.552 15.309 -8.451 255 HD1 TRP 34 HD1 TRP 34 4.928 13.691 -7.381 256 HE1 TRP 34 HE1 TRP 34 4.596 11.597 -5.936 257 HE3 TRP 34 HE3 TRP 34 0.201 14.584 -5.681 258 HZ2 TRP 34 HZ2 TRP 34 2.648 10.487 -4.259 259 HZ3 TRP 34 HZ3 TRP 34 -0.831 12.957 -4.155 260 HH2 TRP 34 HH2 TRP 34 0.373 10.944 -3.464 261 H ASP 35 HN ASP 35 5.992 16.515 -6.368 262 HA ASP 35 HA ASP 35 7.258 16.120 -9.010 263 HB2 ASP 35 HB2 ASP 35 7.758 18.347 -7.981 264 HB3 ASP 35 HB1 ASP 35 8.323 17.552 -6.520 265 H SER 36 HN SER 36 9.387 14.773 -8.794 266 HA SER 36 HA SER 36 9.239 12.388 -7.546 267 HB2 SER 36 HB2 SER 36 11.705 14.064 -8.160 268 HB3 SER 36 HB1 SER 36 11.785 12.379 -7.688 269 H LEU 37 HN LEU 37 10.919 15.235 -6.270 270 HA LEU 37 HA LEU 37 11.733 14.056 -3.821 271 HB2 LEU 37 HB2 LEU 37 11.605 16.938 -4.750 272 HB3 LEU 37 HB1 LEU 37 12.182 16.505 -3.153 273 HG LEU 37 HG LEU 37 14.088 16.895 -4.564 274 HD11 LEU 37 HD11 LEU 37 15.309 14.796 -4.377 275 HD12 LEU 37 HD12 LEU 37 13.798 13.919 -4.119 276 HD13 LEU 37 HD13 LEU 37 14.338 15.119 -2.942 277 HD21 LEU 37 HD21 LEU 37 14.566 15.667 -6.632 278 HD22 LEU 37 HD22 LEU 37 13.075 16.596 -6.762 279 HD23 LEU 37 HD23 LEU 37 13.001 14.849 -6.524 280 H SER 38 HN SER 38 8.873 15.916 -4.697 281 HA SER 38 HA SER 38 7.813 16.326 -2.079 282 HB2 SER 38 HB2 SER 38 6.278 16.132 -4.708 283 HB3 SER 38 HB1 SER 38 5.723 16.904 -3.223 284 HG SER 38 HG SER 38 6.486 18.580 -4.322 285 H HIS 39 HN HIS 39 7.519 13.763 -4.481 286 HA HIS 39 HA HIS 39 5.630 12.093 -3.193 287 HB2 HIS 39 HB2 HIS 39 6.389 11.912 -5.610 288 HB3 HIS 39 HB1 HIS 39 7.898 11.213 -5.034 289 HD2 HIS 39 HD2 HIS 39 7.763 8.544 -5.432 290 HE1 HIS 39 HE1 HIS 39 3.621 8.079 -4.754 291 HE2 HIS 39 HE2 HIS 39 5.741 6.927 -5.491 292 H MET 40 HN MET 40 9.179 12.234 -3.065 293 HA MET 40 HA MET 40 9.610 10.033 -1.356 294 HB2 MET 40 HB2 MET 40 11.297 12.561 -1.661 295 HB3 MET 40 HB1 MET 40 11.821 11.079 -0.861 296 HG2 MET 40 HG2 MET 40 11.221 11.463 -3.800 297 HG3 MET 40 HG1 MET 40 12.779 11.112 -3.052 298 HE1 MET 40 HE1 MET 40 13.370 8.710 -1.922 299 HE2 MET 40 HE2 MET 40 12.237 7.363 -1.873 300 HE3 MET 40 HE3 MET 40 11.934 8.802 -0.904 301 H ASN 41 HN ASN 41 9.046 13.489 -0.674 302 HA ASN 41 HA ASN 41 9.206 13.423 2.148 303 HB2 ASN 41 HB2 ASN 41 7.538 15.252 0.354 304 HB3 ASN 41 HB1 ASN 41 7.773 15.509 2.082 305 HD21 ASN 41 HD21 ASN 41 8.455 17.242 -0.126 306 HD22 ASN 41 HD22 ASN 41 10.158 17.522 -0.017 307 H LEU 42 HN LEU 42 6.537 12.751 -0.088 308 HA LEU 42 HA LEU 42 4.437 12.634 1.789 309 HB2 LEU 42 HB2 LEU 42 4.234 12.884 -0.721 310 HB3 LEU 42 HB1 LEU 42 4.622 11.186 -0.893 311 HG LEU 42 HG LEU 42 2.141 11.902 -1.081 312 HD11 LEU 42 HD11 LEU 42 2.768 9.650 0.841 313 HD12 LEU 42 HD12 LEU 42 2.763 9.552 -0.921 314 HD13 LEU 42 HD13 LEU 42 1.261 9.876 -0.057 315 HD21 LEU 42 HD21 LEU 42 0.877 12.161 0.980 316 HD22 LEU 42 HD22 LEU 42 2.112 13.408 0.857 317 HD23 LEU 42 HD23 LEU 42 2.351 12.033 1.942 318 H ILE 43 HN ILE 43 6.393 10.033 0.336 319 HA ILE 43 HA ILE 43 5.144 7.869 1.661 320 HB ILE 43 HB ILE 43 7.698 8.177 0.080 321 HG12 ILE 43 HG12 ILE 43 6.705 6.381 -1.321 322 HG13 ILE 43 HG11 ILE 43 5.397 6.180 -0.165 323 HG21 ILE 43 HG21 ILE 43 8.521 6.784 1.909 324 HG22 ILE 43 HG22 ILE 43 8.373 5.809 0.446 325 HG23 ILE 43 HG23 ILE 43 7.159 5.676 1.722 326 HD11 ILE 43 HD11 ILE 43 4.584 8.419 -0.717 327 HD12 ILE 43 HD12 ILE 43 4.672 7.366 -2.128 328 HD13 ILE 43 HD13 ILE 43 5.903 8.601 -1.877 329 H VAL 44 HN VAL 44 8.140 9.709 2.483 330 HA VAL 44 HA VAL 44 8.786 8.101 4.741 331 HB VAL 44 HB VAL 44 10.393 9.793 5.381 332 HG11 VAL 44 HG11 VAL 44 10.372 9.367 2.377 333 HG12 VAL 44 HG12 VAL 44 11.026 8.260 3.587 334 HG13 VAL 44 HG13 VAL 44 11.783 9.833 3.334 335 HG21 VAL 44 HG21 VAL 44 9.198 11.603 3.256 336 HG22 VAL 44 HG22 VAL 44 10.675 11.940 4.166 337 HG23 VAL 44 HG23 VAL 44 9.124 11.853 5.001 338 H SER 45 HN SER 45 6.697 10.904 4.368 339 HA SER 45 HA SER 45 6.258 11.451 7.129 340 HB2 SER 45 HB2 SER 45 4.495 11.968 4.701 341 HB3 SER 45 HB1 SER 45 4.111 12.547 6.325 342 HG SER 45 HG SER 45 6.551 13.118 5.000 343 H LEU 46 HN LEU 46 4.673 9.208 4.845 344 HA LEU 46 HA LEU 46 2.712 8.231 6.689 345 HB2 LEU 46 HB2 LEU 46 3.881 6.920 4.205 346 HB3 LEU 46 HB1 LEU 46 2.458 6.345 5.065 347 HG LEU 46 HG LEU 46 2.687 9.012 3.601 348 HD11 LEU 46 HD11 LEU 46 1.097 8.074 1.984 349 HD12 LEU 46 HD12 LEU 46 1.140 6.519 2.819 350 HD13 LEU 46 HD13 LEU 46 2.594 7.141 2.035 351 HD21 LEU 46 HD21 LEU 46 0.277 9.259 4.041 352 HD22 LEU 46 HD22 LEU 46 1.213 9.209 5.531 353 HD23 LEU 46 HD23 LEU 46 0.299 7.786 5.022 354 H GLU 47 HN GLU 47 6.016 7.316 5.892 355 HA GLU 47 HA GLU 47 6.184 4.863 7.286 356 HB2 GLU 47 HB2 GLU 47 8.381 6.854 6.576 357 HB3 GLU 47 HB1 GLU 47 8.673 5.216 7.155 358 HG2 GLU 47 HG2 GLU 47 7.160 5.843 4.598 359 HG3 GLU 47 HG1 GLU 47 8.900 5.574 4.656 360 H VAL 48 HN VAL 48 7.074 8.200 8.298 361 HA VAL 48 HA VAL 48 7.903 7.369 10.913 362 HB VAL 48 HB VAL 48 8.094 9.764 11.474 363 HG11 VAL 48 HG11 VAL 48 9.966 8.655 10.358 364 HG12 VAL 48 HG12 VAL 48 9.874 10.348 9.880 365 HG13 VAL 48 HG13 VAL 48 9.309 9.093 8.775 366 HG21 VAL 48 HG21 VAL 48 6.181 10.704 10.225 367 HG22 VAL 48 HG22 VAL 48 7.001 10.367 8.699 368 HG23 VAL 48 HG23 VAL 48 7.675 11.553 9.825 369 H HIS 49 HN HIS 49 4.924 8.946 9.688 370 HA HIS 49 HA HIS 49 3.712 9.399 12.195 371 HB2 HIS 49 HB2 HIS 49 2.641 9.276 9.371 372 HB3 HIS 49 HB1 HIS 49 1.498 9.330 10.703 373 HD1 HIS 49 HD1 HIS 49 0.856 11.572 11.473 374 HD2 HIS 49 HD2 HIS 49 4.479 11.625 9.440 375 HE1 HIS 49 HE1 HIS 49 1.493 14.002 11.311 376 HE2 HIS 49 HE2 HIS 49 3.790 13.978 10.257 377 H TYR 50 HN TYR 50 3.082 6.770 9.842 378 HA TYR 50 HA TYR 50 1.330 5.422 11.764 379 HB2 TYR 50 HB2 TYR 50 1.985 4.736 8.859 380 HB3 TYR 50 HB1 TYR 50 0.755 3.947 9.844 381 HD1 TYR 50 HD2 TYR 50 1.643 7.047 8.033 382 HD2 TYR 50 HD1 TYR 50 -1.396 5.065 10.291 383 HE1 TYR 50 HE2 TYR 50 0.017 8.739 7.328 384 HE2 TYR 50 HE1 TYR 50 -3.024 6.768 9.586 385 HH TYR 50 HH TYR 50 -2.425 8.977 7.084 386 H LYS 51 HN LYS 51 4.581 5.493 11.343 387 HA LYS 51 HA LYS 51 6.337 4.114 11.277 388 HB2 LYS 51 HB2 LYS 51 6.280 2.526 13.476 389 HB3 LYS 51 HB1 LYS 51 6.625 4.239 13.510 390 HG2 LYS 51 HG2 LYS 51 5.157 3.951 15.281 391 HG3 LYS 51 HG1 LYS 51 4.118 4.568 13.998 392 HD2 LYS 51 HD2 LYS 51 3.316 2.270 13.546 393 HD3 LYS 51 HD1 LYS 51 4.374 1.645 14.814 394 HE2 LYS 51 HE2 LYS 51 2.064 3.583 15.221 395 HE3 LYS 51 HE1 LYS 51 2.059 1.865 15.621 396 HZ1 LYS 51 HZ1 LYS 51 2.469 3.225 17.566 397 HZ2 LYS 51 HZ2 LYS 51 3.832 3.915 16.843 398 HZ3 LYS 51 HZ3 LYS 51 3.820 2.270 17.227 399 H ILE 52 HN ILE 52 5.389 3.309 9.288 400 HA ILE 52 HA ILE 52 4.933 0.382 9.286 401 HB ILE 52 HB ILE 52 3.671 0.710 7.134 402 HG12 ILE 52 HG12 ILE 52 3.878 3.691 7.805 403 HG13 ILE 52 HG11 ILE 52 4.616 2.886 6.423 404 HG21 ILE 52 HG21 ILE 52 2.487 2.165 9.523 405 HG22 ILE 52 HG22 ILE 52 2.460 0.425 9.233 406 HG23 ILE 52 HG23 ILE 52 1.584 1.507 8.155 407 HD11 ILE 52 HD11 ILE 52 2.649 4.139 5.764 408 HD12 ILE 52 HD12 ILE 52 1.655 3.241 6.908 409 HD13 ILE 52 HD13 ILE 52 2.368 2.413 5.518 410 H LYS 53 HN LYS 53 5.387 -0.323 6.739 411 HA LYS 53 HA LYS 53 7.937 0.871 5.836 412 HB2 LYS 53 HB2 LYS 53 8.568 -1.035 7.292 413 HB3 LYS 53 HB1 LYS 53 7.523 -2.113 6.367 414 HG2 LYS 53 HG2 LYS 53 8.938 -1.681 4.341 415 HG3 LYS 53 HG1 LYS 53 10.020 -0.710 5.344 416 HD2 LYS 53 HD2 LYS 53 10.509 -2.722 6.737 417 HD3 LYS 53 HD1 LYS 53 9.432 -3.676 5.711 418 HE2 LYS 53 HE2 LYS 53 10.901 -3.226 3.764 419 HE3 LYS 53 HE1 LYS 53 11.984 -2.291 4.799 420 HZ1 LYS 53 HZ1 LYS 53 12.406 -4.294 6.081 421 HZ2 LYS 53 HZ2 LYS 53 12.799 -4.531 4.456 422 HZ3 LYS 53 HZ3 LYS 53 11.371 -5.187 5.082 423 H PHE 54 HN PHE 54 7.268 1.581 3.851 424 HA PHE 54 HA PHE 54 5.928 -0.176 1.940 425 HB2 PHE 54 HB2 PHE 54 7.243 2.554 1.571 426 HB3 PHE 54 HB1 PHE 54 6.359 1.697 0.316 427 HD1 PHE 54 HD2 PHE 54 3.876 0.850 1.339 428 HD2 PHE 54 HD1 PHE 54 6.058 4.376 2.412 429 HE1 PHE 54 HE2 PHE 54 1.788 1.951 2.025 430 HE2 PHE 54 HE1 PHE 54 3.964 5.458 3.082 431 HZ PHE 54 HZ PHE 54 1.826 4.250 2.895 432 H ALA 55 HN ALA 55 6.934 -1.382 0.418 433 HA ALA 55 HA ALA 55 9.867 -1.276 0.076 434 HB1 ALA 55 HB1 ALA 55 9.577 -3.398 -1.171 435 HB2 ALA 55 HB2 ALA 55 7.826 -3.299 -0.964 436 HB3 ALA 55 HB3 ALA 55 8.871 -3.519 0.442 437 H LEU 56 HN LEU 56 10.741 -0.993 -2.105 438 HA LEU 56 HA LEU 56 9.609 0.994 -3.680 439 HB2 LEU 56 HB2 LEU 56 12.064 -0.123 -3.546 440 HB3 LEU 56 HB1 LEU 56 11.506 -0.983 -4.961 441 HG LEU 56 HG LEU 56 12.860 0.974 -5.569 442 HD11 LEU 56 HD11 LEU 56 9.980 1.420 -6.378 443 HD12 LEU 56 HD12 LEU 56 11.125 0.320 -7.150 444 HD13 LEU 56 HD13 LEU 56 11.415 2.058 -7.193 445 HD21 LEU 56 HD21 LEU 56 12.158 3.267 -5.110 446 HD22 LEU 56 HD22 LEU 56 12.416 2.379 -3.612 447 HD23 LEU 56 HD23 LEU 56 10.773 2.685 -4.179 448 H GLY 57 HN GLY 57 9.405 -2.529 -4.015 449 HA2 GLY 57 HA2 GLY 57 8.031 -2.752 -6.461 450 HA3 GLY 57 HA1 GLY 57 7.927 -3.898 -5.125 451 H GLU 58 HN GLU 58 6.839 -2.094 -3.204 452 HA GLU 58 HA GLU 58 4.026 -2.177 -3.878 453 HB2 GLU 58 HB2 GLU 58 5.398 -1.161 -1.354 454 HB3 GLU 58 HB1 GLU 58 3.668 -1.459 -1.541 455 HG2 GLU 58 HG2 GLU 58 4.132 -3.856 -1.922 456 HG3 GLU 58 HG1 GLU 58 5.859 -3.553 -1.687 457 H LEU 59 HN LEU 59 6.541 0.230 -3.897 458 HA LEU 59 HA LEU 59 4.793 2.530 -4.009 459 HB2 LEU 59 HB2 LEU 59 7.716 2.258 -4.826 460 HB3 LEU 59 HB1 LEU 59 6.835 3.776 -4.701 461 HG LEU 59 HG LEU 59 7.600 1.913 -2.417 462 HD11 LEU 59 HD11 LEU 59 8.488 4.750 -3.022 463 HD12 LEU 59 HD12 LEU 59 9.447 3.281 -3.238 464 HD13 LEU 59 HD13 LEU 59 8.959 3.780 -1.620 465 HD21 LEU 59 HD21 LEU 59 6.566 3.563 -0.893 466 HD22 LEU 59 HD22 LEU 59 5.385 2.796 -1.946 467 HD23 LEU 59 HD23 LEU 59 5.924 4.443 -2.283 468 H GLN 60 HN GLN 60 6.356 0.361 -6.351 469 HA GLN 60 HA GLN 60 5.427 1.584 -8.729 470 HB2 GLN 60 HB2 GLN 60 5.946 -1.384 -8.264 471 HB3 GLN 60 HB1 GLN 60 5.852 -0.585 -9.831 472 HG2 GLN 60 HG2 GLN 60 8.020 -0.333 -7.730 473 HG3 GLN 60 HG1 GLN 60 8.160 -0.954 -9.374 474 HE21 GLN 60 HE21 GLN 60 8.034 1.904 -7.384 475 HE22 GLN 60 HE22 GLN 60 8.452 3.036 -8.620 476 H LYS 61 HN LYS 61 3.732 -0.211 -6.311 477 HA LYS 61 HA LYS 61 1.437 -0.910 -7.942 478 HB2 LYS 61 HB2 LYS 61 1.664 -0.823 -4.903 479 HB3 LYS 61 HB1 LYS 61 0.376 -1.594 -5.827 480 HG2 LYS 61 HG2 LYS 61 3.290 -2.427 -5.780 481 HG3 LYS 61 HG1 LYS 61 1.967 -3.232 -4.934 482 HD2 LYS 61 HD2 LYS 61 0.934 -3.833 -7.092 483 HD3 LYS 61 HD1 LYS 61 2.215 -2.982 -7.966 484 HE2 LYS 61 HE2 LYS 61 3.879 -4.573 -7.078 485 HE3 LYS 61 HE1 LYS 61 2.618 -5.395 -6.156 486 HZ1 LYS 61 HZ1 LYS 61 2.757 -5.194 -9.111 487 HZ2 LYS 61 HZ2 LYS 61 1.527 -5.957 -8.233 488 HZ3 LYS 61 HZ3 LYS 61 3.105 -6.565 -8.182 489 H LEU 62 HN LEU 62 2.569 1.995 -6.587 490 HA LEU 62 HA LEU 62 -0.075 3.124 -5.970 491 HB2 LEU 62 HB2 LEU 62 2.690 4.380 -5.661 492 HB3 LEU 62 HB1 LEU 62 1.174 5.017 -5.029 493 HG LEU 62 HG LEU 62 2.557 2.462 -4.122 494 HD11 LEU 62 HD11 LEU 62 2.948 3.653 -2.010 495 HD12 LEU 62 HD12 LEU 62 2.252 5.122 -2.697 496 HD13 LEU 62 HD13 LEU 62 3.738 4.449 -3.369 497 HD21 LEU 62 HD21 LEU 62 0.139 2.190 -3.975 498 HD22 LEU 62 HD22 LEU 62 -0.016 3.714 -3.097 499 HD23 LEU 62 HD23 LEU 62 0.830 2.349 -2.363 500 H LYS 63 HN LYS 63 -0.866 3.225 -8.165 501 HA LYS 63 HA LYS 63 0.400 5.101 -10.026 502 HB2 LYS 63 HB2 LYS 63 -0.859 3.026 -10.781 503 HB3 LYS 63 HB1 LYS 63 -2.350 3.752 -10.206 504 HG2 LYS 63 HG2 LYS 63 -0.625 5.002 -12.375 505 HG3 LYS 63 HG1 LYS 63 -1.899 3.836 -12.723 506 HD2 LYS 63 HD2 LYS 63 -3.554 5.411 -11.661 507 HD3 LYS 63 HD1 LYS 63 -2.253 6.583 -11.452 508 HE2 LYS 63 HE2 LYS 63 -3.517 7.188 -13.416 509 HE3 LYS 63 HE1 LYS 63 -1.942 6.594 -13.941 510 HZ1 LYS 63 HZ1 LYS 63 -3.764 5.728 -15.286 511 HZ2 LYS 63 HZ2 LYS 63 -4.449 5.008 -13.919 512 HZ3 LYS 63 HZ3 LYS 63 -2.946 4.485 -14.485 513 H ASN 64 HN ASN 64 -2.226 4.943 -7.704 514 HA ASN 64 HA ASN 64 -2.545 7.857 -7.738 515 HB2 ASN 64 HB2 ASN 64 -5.079 7.557 -7.754 516 HB3 ASN 64 HB1 ASN 64 -4.282 7.219 -9.281 517 HD21 ASN 64 HD21 ASN 64 -4.383 5.180 -10.130 518 HD22 ASN 64 HD22 ASN 64 -5.257 3.875 -9.419 519 H VAL 65 HN VAL 65 -4.193 8.467 -5.931 520 HA VAL 65 HA VAL 65 -3.178 7.566 -3.424 521 HB VAL 65 HB VAL 65 -5.537 9.444 -3.943 522 HG11 VAL 65 HG11 VAL 65 -5.102 10.330 -1.690 523 HG12 VAL 65 HG12 VAL 65 -3.808 9.154 -1.450 524 HG13 VAL 65 HG13 VAL 65 -5.478 8.610 -1.618 525 HG21 VAL 65 HG21 VAL 65 -3.518 10.285 -5.066 526 HG22 VAL 65 HG22 VAL 65 -2.591 10.129 -3.572 527 HG23 VAL 65 HG23 VAL 65 -3.910 11.302 -3.675 528 H GLY 66 HN GLY 66 -5.885 6.639 -5.375 529 HA2 GLY 66 HA2 GLY 66 -7.433 5.242 -3.436 530 HA3 GLY 66 HA1 GLY 66 -7.363 4.897 -5.166 531 H ASP 67 HN ASP 67 -4.571 4.400 -5.389 532 HA ASP 67 HA ASP 67 -4.296 1.722 -4.430 533 HB2 ASP 67 HB2 ASP 67 -2.245 3.584 -5.688 534 HB3 ASP 67 HB1 ASP 67 -1.935 1.888 -5.323 535 H LEU 68 HN LEU 68 -2.952 4.895 -3.377 536 HA LEU 68 HA LEU 68 -1.437 3.961 -1.190 537 HB2 LEU 68 HB2 LEU 68 -2.776 6.597 -1.789 538 HB3 LEU 68 HB1 LEU 68 -2.281 6.317 -0.142 539 HG LEU 68 HG LEU 68 -0.583 7.606 -1.170 540 HD11 LEU 68 HD11 LEU 68 0.211 5.923 0.369 541 HD12 LEU 68 HD12 LEU 68 1.398 6.228 -0.894 542 HD13 LEU 68 HD13 LEU 68 0.412 4.764 -0.949 543 HD21 LEU 68 HD21 LEU 68 -0.436 5.551 -3.401 544 HD22 LEU 68 HD22 LEU 68 0.622 6.955 -3.215 545 HD23 LEU 68 HD23 LEU 68 -1.098 7.184 -3.522 546 H ALA 69 HN ALA 69 -4.894 4.599 -1.534 547 HA ALA 69 HA ALA 69 -5.680 4.421 1.161 548 HB1 ALA 69 HB1 ALA 69 -7.950 3.988 0.267 549 HB2 ALA 69 HB2 ALA 69 -7.268 3.714 -1.337 550 HB3 ALA 69 HB3 ALA 69 -7.155 5.311 -0.594 551 H ASP 70 HN ASP 70 -5.510 1.963 -1.393 552 HA ASP 70 HA ASP 70 -6.223 -0.294 0.177 553 HB2 ASP 70 HB2 ASP 70 -4.598 -0.110 -2.393 554 HB3 ASP 70 HB1 ASP 70 -5.105 -1.636 -1.673 555 H LEU 71 HN LEU 71 -3.045 1.069 -0.721 556 HA LEU 71 HA LEU 71 -1.466 -1.096 0.196 557 HB2 LEU 71 HB2 LEU 71 -0.964 1.097 -1.387 558 HB3 LEU 71 HB1 LEU 71 -0.172 1.618 0.078 559 HG LEU 71 HG LEU 71 1.437 0.627 -1.463 560 HD11 LEU 71 HD11 LEU 71 2.501 -1.057 -0.048 561 HD12 LEU 71 HD12 LEU 71 1.025 -1.197 0.914 562 HD13 LEU 71 HD13 LEU 71 1.923 0.320 0.885 563 HD21 LEU 71 HD21 LEU 71 -0.070 -0.822 -2.719 564 HD22 LEU 71 HD22 LEU 71 -0.198 -1.925 -1.343 565 HD23 LEU 71 HD23 LEU 71 1.351 -1.707 -2.169 566 H VAL 72 HN VAL 72 -1.961 2.160 1.608 567 HA VAL 72 HA VAL 72 -0.657 1.761 4.048 568 HB VAL 72 HB VAL 72 -2.959 3.674 3.434 569 HG11 VAL 72 HG11 VAL 72 -2.154 5.024 5.355 570 HG12 VAL 72 HG12 VAL 72 -0.960 3.781 5.730 571 HG13 VAL 72 HG13 VAL 72 -2.679 3.416 5.869 572 HG21 VAL 72 HG21 VAL 72 -1.035 4.020 1.911 573 HG22 VAL 72 HG22 VAL 72 0.049 4.157 3.298 574 HG23 VAL 72 HG23 VAL 72 -1.193 5.382 3.027 575 H ASP 73 HN ASP 73 -4.041 1.046 3.088 576 HA ASP 73 HA ASP 73 -4.958 0.302 5.707 577 HB2 ASP 73 HB2 ASP 73 -6.472 0.887 3.768 578 HB3 ASP 73 HB1 ASP 73 -6.072 -0.658 3.035 579 H LYS 74 HN LYS 74 -3.251 -1.394 3.202 580 HA LYS 74 HA LYS 74 -3.504 -4.044 4.330 581 HB2 LYS 74 HB2 LYS 74 -1.452 -2.979 2.347 582 HB3 LYS 74 HB1 LYS 74 -1.635 -4.671 2.788 583 HG2 LYS 74 HG2 LYS 74 -3.671 -2.966 1.334 584 HG3 LYS 74 HG1 LYS 74 -2.666 -4.226 0.626 585 HD2 LYS 74 HD2 LYS 74 -4.748 -4.710 2.795 586 HD3 LYS 74 HD1 LYS 74 -5.057 -4.897 1.069 587 HE2 LYS 74 HE2 LYS 74 -2.959 -6.460 2.620 588 HE3 LYS 74 HE1 LYS 74 -4.574 -7.049 2.219 589 HZ1 LYS 74 HZ1 LYS 74 -2.505 -6.256 0.244 590 HZ2 LYS 74 HZ2 LYS 74 -4.046 -6.843 -0.119 591 HZ3 LYS 74 HZ3 LYS 74 -2.922 -7.841 0.651 592 H LYS 75 HN LYS 75 -1.306 -1.325 4.773 593 HA LYS 75 HA LYS 75 0.539 -2.676 6.513 594 HB2 LYS 75 HB2 LYS 75 -0.064 0.305 6.253 595 HB3 LYS 75 HB1 LYS 75 1.338 -0.398 7.060 596 HG2 LYS 75 HG2 LYS 75 0.705 -0.536 4.094 597 HG3 LYS 75 HG1 LYS 75 1.961 0.446 4.860 598 HD2 LYS 75 HD2 LYS 75 3.177 -1.559 5.543 599 HD3 LYS 75 HD1 LYS 75 1.873 -2.597 4.962 600 HE2 LYS 75 HE2 LYS 75 2.308 -1.828 2.653 601 HE3 LYS 75 HE1 LYS 75 3.641 -0.831 3.243 602 HZ1 LYS 75 HZ1 LYS 75 4.787 -2.776 3.956 603 HZ2 LYS 75 HZ2 LYS 75 4.328 -2.985 2.343 604 HZ3 LYS 75 HZ3 LYS 75 3.475 -3.770 3.567 605 H LEU 76 HN LEU 76 -2.438 -0.813 6.915 606 HA LEU 76 HA LEU 76 -2.488 -0.892 9.788 607 HB2 LEU 76 HB2 LEU 76 -4.755 -0.389 7.809 608 HB3 LEU 76 HB1 LEU 76 -4.846 -0.112 9.543 609 HG LEU 76 HG LEU 76 -3.078 1.397 7.576 610 HD11 LEU 76 HD11 LEU 76 -5.532 2.351 9.075 611 HD12 LEU 76 HD12 LEU 76 -5.416 2.014 7.345 612 HD13 LEU 76 HD13 LEU 76 -4.490 3.339 8.043 613 HD21 LEU 76 HD21 LEU 76 -2.450 2.861 9.460 614 HD22 LEU 76 HD22 LEU 76 -1.917 1.201 9.711 615 HD23 LEU 76 HD23 LEU 76 -3.332 1.811 10.575 616 H ALA 77 HN ALA 77 -3.429 -3.091 7.232 617 HA ALA 77 HA ALA 77 -4.928 -4.947 8.802 618 HB1 ALA 77 HB1 ALA 77 -4.473 -6.568 7.009 619 HB2 ALA 77 HB2 ALA 77 -3.234 -5.504 6.335 620 HB3 ALA 77 HB3 ALA 77 -4.924 -5.003 6.329 621 H ARG 78 HN ARG 78 -1.480 -4.501 8.141 622 HA ARG 78 HA ARG 78 -0.505 -6.751 9.602 623 HB2 ARG 78 HB2 ARG 78 0.922 -4.132 8.968 624 HB3 ARG 78 HB1 ARG 78 1.703 -5.619 9.499 625 HG2 ARG 78 HG2 ARG 78 0.207 -5.237 6.885 626 HG3 ARG 78 HG1 ARG 78 1.961 -5.258 7.080 627 HD2 ARG 78 HD2 ARG 78 1.863 -7.598 7.832 628 HD3 ARG 78 HD1 ARG 78 0.098 -7.582 7.695 629 HE ARG 78 HE ARG 78 1.142 -6.831 5.226 630 HH11 ARG 78 HH11 ARG 78 1.124 -9.737 7.224 631 HH12 ARG 78 HH12 ARG 78 1.254 -10.801 5.860 632 HH21 ARG 78 HH21 ARG 78 1.279 -8.209 3.483 633 HH22 ARG 78 HH22 ARG 78 1.325 -9.925 3.717 634 H LYS 79 HN LYS 79 -1.474 -3.504 10.575 635 HA LYS 79 HA LYS 79 -0.248 -3.673 13.216 636 HB2 LYS 79 HB2 LYS 79 -2.140 -1.572 12.073 637 HB3 LYS 79 HB1 LYS 79 -1.273 -1.445 13.605 638 HG2 LYS 79 HG2 LYS 79 -0.097 -1.448 10.809 639 HG3 LYS 79 HG1 LYS 79 -0.080 -0.137 11.990 640 HD2 LYS 79 HD2 LYS 79 1.381 -1.550 13.471 641 HD3 LYS 79 HD1 LYS 79 1.413 -2.787 12.211 642 HE2 LYS 79 HE2 LYS 79 3.446 -1.482 12.091 643 HE3 LYS 79 HE1 LYS 79 2.461 -1.112 10.671 644 HZ1 LYS 79 HZ1 LYS 79 3.374 0.880 11.646 645 HZ2 LYS 79 HZ2 LYS 79 2.654 0.527 13.133 646 HZ3 LYS 79 HZ3 LYS 79 1.692 0.888 11.790 647 H LEU 80 HN LEU 80 -3.552 -3.554 11.921 648 HA LEU 80 HA LEU 80 -4.829 -4.270 14.400 649 HB2 LEU 80 HB2 LEU 80 -5.866 -3.877 11.579 650 HB3 LEU 80 HB1 LEU 80 -6.899 -4.536 12.830 651 HG LEU 80 HG LEU 80 -7.359 -2.172 12.525 652 HD11 LEU 80 HD11 LEU 80 -7.140 -1.359 14.813 653 HD12 LEU 80 HD12 LEU 80 -5.971 -2.635 15.174 654 HD13 LEU 80 HD13 LEU 80 -7.637 -3.048 14.763 655 HD21 LEU 80 HD21 LEU 80 -4.461 -1.594 13.221 656 HD22 LEU 80 HD22 LEU 80 -5.742 -0.400 12.970 657 HD23 LEU 80 HD23 LEU 80 -5.215 -1.417 11.633 658 H GLU 81 HN GLU 81 -2.995 -6.090 12.337 659 HA GLU 81 HA GLU 81 -4.117 -8.641 12.492 660 HB2 GLU 81 HB2 GLU 81 -1.988 -8.145 11.326 661 HB3 GLU 81 HB1 GLU 81 -1.200 -7.784 12.853 662 HG2 GLU 81 HG2 GLU 81 -2.350 -10.533 12.332 663 HG3 GLU 81 HG1 GLU 81 -0.786 -10.085 11.663 664 H HIS 82 HN HIS 82 -5.153 -9.273 14.267 665 HA HIS 82 HA HIS 82 -3.782 -9.293 16.895 666 HB2 HIS 82 HB2 HIS 82 -6.728 -8.758 16.306 667 HB3 HIS 82 HB1 HIS 82 -6.108 -9.119 17.910 668 HD1 HIS 82 HD1 HIS 82 -6.723 -6.358 15.608 669 HD2 HIS 82 HD2 HIS 82 -4.310 -7.040 18.909 670 HE1 HIS 82 HE1 HIS 82 -6.112 -4.083 16.473 671 HE2 HIS 82 HE2 HIS 82 -4.543 -4.526 18.388 672 H HIS 83 HN HIS 83 -3.011 -11.338 16.234 673 HA HIS 83 HA HIS 83 -4.940 -13.561 16.134 674 HB2 HIS 83 HB2 HIS 83 -1.964 -13.370 15.513 675 HB3 HIS 83 HB1 HIS 83 -2.768 -14.927 15.711 676 HD1 HIS 83 HD1 HIS 83 -3.430 -15.911 13.583 677 HD2 HIS 83 HD2 HIS 83 -3.501 -11.767 13.381 678 HE1 HIS 83 HE1 HIS 83 -4.048 -15.370 11.213 679 HE2 HIS 83 HE2 HIS 83 -3.850 -12.860 11.064 680 H HIS 84 HN HIS 84 -5.225 -14.870 17.801 681 HA HIS 84 HA HIS 84 -3.428 -15.416 19.920 682 HB2 HIS 84 HB2 HIS 84 -4.107 -13.042 20.543 683 HB3 HIS 84 HB1 HIS 84 -5.770 -13.596 20.692 684 HD1 HIS 84 HD1 HIS 84 -6.420 -14.715 22.876 685 HD2 HIS 84 HD2 HIS 84 -2.325 -14.075 22.545 686 HE1 HIS 84 HE1 HIS 84 -5.483 -15.180 25.162 687 HE2 HIS 84 HE2 HIS 84 -3.041 -14.587 24.978 688 H HIS 85 HN HIS 85 -6.935 -14.969 19.301 689 HA HIS 85 HA HIS 85 -7.776 -17.393 20.514 690 HB2 HIS 85 HB2 HIS 85 -9.954 -16.999 19.399 691 HB3 HIS 85 HB1 HIS 85 -9.353 -15.543 20.169 692 HD1 HIS 85 HD1 HIS 85 -9.169 -13.471 18.726 693 HD2 HIS 85 HD2 HIS 85 -9.793 -16.909 16.472 694 HE1 HIS 85 HE1 HIS 85 -9.622 -12.676 16.381 695 HE2 HIS 85 HE2 HIS 85 -9.982 -14.772 15.031 696 H HIS 86 HN HIS 86 -7.721 -19.435 19.809 697 HA HIS 86 HA HIS 86 -7.517 -21.311 18.592 698 HB2 HIS 86 HB2 HIS 86 -9.363 -20.517 17.220 699 HB3 HIS 86 HB1 HIS 86 -8.281 -19.516 16.266 700 HD1 HIS 86 HD1 HIS 86 -7.246 -20.558 14.247 701 HD2 HIS 86 HD2 HIS 86 -9.073 -23.358 16.716 702 HE1 HIS 86 HE1 HIS 86 -7.302 -22.682 12.922 703 HE2 HIS 86 HE2 HIS 86 -8.216 -24.410 14.506 704 H HIS 87 HN HIS 87 -6.237 -18.953 16.261 705 HA HIS 87 HA HIS 87 -3.503 -19.480 17.020 706 HB2 HIS 87 HB2 HIS 87 -3.857 -21.206 15.268 707 HB3 HIS 87 HB1 HIS 87 -4.451 -19.984 14.149 708 HD1 HIS 87 HD1 HIS 87 -1.269 -20.669 16.134 709 HD2 HIS 87 HD2 HIS 87 -2.479 -19.096 12.483 710 HE1 HIS 87 HE1 HIS 87 0.848 -20.115 14.909 711 HE2 HIS 87 HE2 HIS 87 0.085 -18.981 12.802 712 H282 PNS 88 H282 PNS 88 6.855 12.797 -9.887 713 H281 PNS 88 H281 PNS 88 7.272 12.022 -11.423 714 H303 PNS 88 H303 PNS 88 4.559 9.854 -9.930 715 H302 PNS 88 H302 PNS 88 4.677 11.599 -10.175 716 H301 PNS 88 H301 PNS 88 5.117 10.506 -11.485 717 H313 PNS 88 H313 PNS 88 7.570 10.613 -7.938 718 H312 PNS 88 H312 PNS 88 6.013 11.456 -7.960 719 H311 PNS 88 H311 PNS 88 6.060 9.695 -8.003 720 H32 PNS 88 H32 PNS 88 7.627 9.561 -11.535 721 H33 PNS 88 H33 PNS 88 8.777 9.785 -9.161 722 H36 PNS 88 H36 PNS 88 6.608 8.016 -8.458 723 H372 PNS 88 H372 PNS 88 5.718 5.596 -9.717 724 H371 PNS 88 H371 PNS 88 5.562 6.038 -8.013 725 H382 PNS 88 H382 PNS 88 3.806 7.039 -10.257 726 H381 PNS 88 H381 PNS 88 3.351 5.811 -9.080 727 H41 PNS 88 H41 PNS 88 1.511 7.184 -8.559 728 H422 PNS 88 H422 PNS 88 2.037 9.049 -6.375 729 H421 PNS 88 H421 PNS 88 1.283 9.768 -7.804 730 H431 PNS 88 H431 PNS 88 0.158 7.425 -6.251 731 H432 PNS 88 H432 PNS 88 -0.589 8.226 -7.630 732 H44 PNS 88 H44 PNS 88 -0.388 9.238 -4.436 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -11.772 -0.379 5.641 2 H2 MET 1 HT2 MET 1 -12.758 0.991 5.720 3 H3 MET 1 HT3 MET 1 -11.525 0.767 6.852 4 HA MET 1 HA MET 1 -9.857 0.977 5.176 5 HB2 MET 1 HB2 MET 1 -12.231 1.429 3.321 6 HB3 MET 1 HB1 MET 1 -10.553 1.720 2.880 7 HG2 MET 1 HG2 MET 1 -10.054 -0.665 3.252 8 HG3 MET 1 HG1 MET 1 -11.753 -0.951 3.634 9 HE1 MET 1 HE1 MET 1 -11.771 -2.912 1.753 10 HE2 MET 1 HE2 MET 1 -10.065 -2.565 1.461 11 HE3 MET 1 HE3 MET 1 -11.194 -2.644 0.108 12 HA PRO 2 HA PRO 2 -10.974 5.203 6.712 13 HB2 PRO 2 HB2 PRO 2 -9.297 5.379 8.764 14 HB3 PRO 2 HB1 PRO 2 -10.644 4.233 8.846 15 HG2 PRO 2 HG2 PRO 2 -7.735 3.699 8.285 16 HG3 PRO 2 HG1 PRO 2 -8.875 2.759 9.270 17 HD2 PRO 2 HD2 PRO 2 -8.201 2.255 6.551 18 HD3 PRO 2 HD1 PRO 2 -9.554 1.530 7.447 19 H THR 3 HN THR 3 -9.002 4.368 4.522 20 HA THR 3 HA THR 3 -6.421 5.381 5.096 21 HB THR 3 HB THR 3 -5.985 4.859 2.650 22 HG1 THR 3 HG1 THR 3 -7.925 3.497 1.849 23 HG21 THR 3 HG21 THR 3 -7.333 2.680 4.293 24 HG22 THR 3 HG22 THR 3 -5.642 3.170 4.431 25 HG23 THR 3 HG23 THR 3 -6.222 2.422 2.944 26 H LEU 4 HN LEU 4 -8.760 6.493 2.541 27 HA LEU 4 HA LEU 4 -7.308 8.644 1.594 28 HB2 LEU 4 HB2 LEU 4 -10.342 8.502 1.845 29 HB3 LEU 4 HB1 LEU 4 -9.458 9.579 0.772 30 HG LEU 4 HG LEU 4 -9.514 6.534 0.551 31 HD11 LEU 4 HD11 LEU 4 -10.868 6.867 -1.464 32 HD12 LEU 4 HD12 LEU 4 -10.887 8.610 -1.187 33 HD13 LEU 4 HD13 LEU 4 -11.678 7.524 -0.042 34 HD21 LEU 4 HD21 LEU 4 -8.253 8.580 -1.313 35 HD22 LEU 4 HD22 LEU 4 -8.366 6.840 -1.605 36 HD23 LEU 4 HD23 LEU 4 -7.385 7.448 -0.273 37 H ASP 5 HN ASP 5 -9.598 8.570 4.287 38 HA ASP 5 HA ASP 5 -9.545 11.314 4.997 39 HB2 ASP 5 HB2 ASP 5 -10.225 8.852 6.658 40 HB3 ASP 5 HB1 ASP 5 -10.482 10.505 7.205 41 H ALA 6 HN ALA 6 -7.785 8.514 6.395 42 HA ALA 6 HA ALA 6 -6.231 9.903 8.273 43 HB1 ALA 6 HB1 ALA 6 -4.812 7.889 8.307 44 HB2 ALA 6 HB2 ALA 6 -5.560 7.324 6.809 45 HB3 ALA 6 HB3 ALA 6 -6.523 7.456 8.283 46 H LEU 7 HN LEU 7 -5.784 9.429 4.843 47 HA LEU 7 HA LEU 7 -3.026 10.285 4.773 48 HB2 LEU 7 HB2 LEU 7 -4.984 9.732 2.509 49 HB3 LEU 7 HB1 LEU 7 -3.271 10.066 2.302 50 HG LEU 7 HG LEU 7 -4.472 7.609 3.644 51 HD11 LEU 7 HD11 LEU 7 -4.710 7.559 1.219 52 HD12 LEU 7 HD12 LEU 7 -3.534 6.358 1.751 53 HD13 LEU 7 HD13 LEU 7 -2.983 7.869 1.017 54 HD21 LEU 7 HD21 LEU 7 -2.393 8.214 4.779 55 HD22 LEU 7 HD22 LEU 7 -1.542 8.283 3.233 56 HD23 LEU 7 HD23 LEU 7 -2.176 6.746 3.827 57 H THR 8 HN THR 8 -6.149 11.815 4.680 58 HA THR 8 HA THR 8 -5.669 14.029 3.062 59 HB THR 8 HB THR 8 -7.422 14.000 5.554 60 HG1 THR 8 HG1 THR 8 -7.621 12.704 3.215 61 HG21 THR 8 HG21 THR 8 -8.705 15.786 4.416 62 HG22 THR 8 HG22 THR 8 -7.524 15.808 3.103 63 HG23 THR 8 HG23 THR 8 -7.047 16.303 4.729 64 HA PRO 9 HA PRO 9 -3.813 16.521 6.938 65 HB2 PRO 9 HB2 PRO 9 -2.910 14.280 8.734 66 HB3 PRO 9 HB1 PRO 9 -3.617 15.848 9.156 67 HG2 PRO 9 HG2 PRO 9 -5.067 13.616 9.351 68 HG3 PRO 9 HG1 PRO 9 -5.809 15.117 8.751 69 HD2 PRO 9 HD2 PRO 9 -4.814 12.732 7.175 70 HD3 PRO 9 HD1 PRO 9 -6.320 13.655 6.983 71 H ILE 10 HN ILE 10 -2.523 13.369 5.961 72 HA ILE 10 HA ILE 10 0.242 13.895 6.192 73 HB ILE 10 HB ILE 10 -1.192 12.008 4.269 74 HG12 ILE 10 HG12 ILE 10 -1.592 11.466 6.663 75 HG13 ILE 10 HG11 ILE 10 -0.638 10.214 5.880 76 HG21 ILE 10 HG21 ILE 10 1.045 12.495 3.395 77 HG22 ILE 10 HG22 ILE 10 0.980 10.841 3.990 78 HG23 ILE 10 HG23 ILE 10 1.777 12.086 4.950 79 HD11 ILE 10 HD11 ILE 10 1.393 11.111 6.925 80 HD12 ILE 10 HD12 ILE 10 0.170 10.663 8.111 81 HD13 ILE 10 HD13 ILE 10 0.428 12.362 7.720 82 H PHE 11 HN PHE 11 -1.865 14.023 3.282 83 HA PHE 11 HA PHE 11 0.116 15.052 1.522 84 HB2 PHE 11 HB2 PHE 11 -2.917 14.891 1.336 85 HB3 PHE 11 HB1 PHE 11 -1.947 15.602 0.053 86 HD1 PHE 11 HD2 PHE 11 -1.986 12.422 2.092 87 HD2 PHE 11 HD1 PHE 11 -1.457 14.208 -1.749 88 HE1 PHE 11 HE2 PHE 11 -1.746 10.194 1.094 89 HE2 PHE 11 HE1 PHE 11 -1.214 11.978 -2.732 90 HZ PHE 11 HZ PHE 11 -1.359 9.966 -1.329 91 H ARG 12 HN ARG 12 -2.543 16.590 3.347 92 HA ARG 12 HA ARG 12 -2.246 19.225 2.491 93 HB2 ARG 12 HB2 ARG 12 -3.187 18.091 5.142 94 HB3 ARG 12 HB1 ARG 12 -3.195 19.823 4.817 95 HG2 ARG 12 HG2 ARG 12 -4.734 19.452 2.902 96 HG3 ARG 12 HG1 ARG 12 -4.746 17.719 3.259 97 HD2 ARG 12 HD2 ARG 12 -5.775 18.137 5.436 98 HD3 ARG 12 HD1 ARG 12 -5.644 19.886 5.204 99 HE ARG 12 HE ARG 12 -7.158 18.730 3.103 100 HH11 ARG 12 HH11 ARG 12 -7.455 19.577 6.510 101 HH12 ARG 12 HH12 ARG 12 -9.173 19.767 6.427 102 HH21 ARG 12 HH21 ARG 12 -9.409 18.970 3.036 103 HH22 ARG 12 HH22 ARG 12 -10.275 19.419 4.468 104 H GLN 13 HN GLN 13 -0.387 17.479 5.008 105 HA GLN 13 HA GLN 13 1.070 19.804 5.846 106 HB2 GLN 13 HB2 GLN 13 0.680 17.849 7.341 107 HB3 GLN 13 HB1 GLN 13 1.692 16.856 6.301 108 HG2 GLN 13 HG2 GLN 13 2.962 17.523 8.249 109 HG3 GLN 13 HG1 GLN 13 3.637 18.313 6.823 110 HE21 GLN 13 HE21 GLN 13 4.582 19.995 7.983 111 HE22 GLN 13 HE22 GLN 13 3.682 21.224 8.792 112 H VAL 14 HN VAL 14 1.944 16.940 3.883 113 HA VAL 14 HA VAL 14 4.585 17.483 3.269 114 HB VAL 14 HB VAL 14 2.481 16.005 1.623 115 HG11 VAL 14 HG11 VAL 14 4.383 14.945 0.370 116 HG12 VAL 14 HG12 VAL 14 5.480 16.104 1.122 117 HG13 VAL 14 HG13 VAL 14 4.208 16.671 0.039 118 HG21 VAL 14 HG21 VAL 14 2.992 14.979 3.810 119 HG22 VAL 14 HG22 VAL 14 4.711 14.948 3.409 120 HG23 VAL 14 HG23 VAL 14 3.574 13.962 2.489 121 H PHE 15 HN PHE 15 1.747 18.305 1.243 122 HA PHE 15 HA PHE 15 3.326 19.823 -0.655 123 HB2 PHE 15 HB2 PHE 15 0.312 19.435 -0.426 124 HB3 PHE 15 HB1 PHE 15 1.117 20.262 -1.757 125 HD1 PHE 15 HD2 PHE 15 2.565 18.966 -3.340 126 HD2 PHE 15 HD1 PHE 15 0.271 17.004 -0.325 127 HE1 PHE 15 HE2 PHE 15 2.841 16.827 -4.503 128 HE2 PHE 15 HE1 PHE 15 0.562 14.869 -1.494 129 HZ PHE 15 HZ PHE 15 1.844 14.778 -3.593 130 H ASP 16 HN ASP 16 1.754 20.488 2.315 131 HA ASP 16 HA ASP 16 1.352 22.295 3.580 132 HB2 ASP 16 HB2 ASP 16 3.710 22.913 3.025 133 HB3 ASP 16 HB1 ASP 16 3.138 23.816 1.629 134 H ASP 17 HN ASP 17 -0.822 22.074 2.953 135 HA ASP 17 HA ASP 17 -2.121 24.152 1.485 136 HB2 ASP 17 HB2 ASP 17 -1.072 22.583 -0.326 137 HB3 ASP 17 HB1 ASP 17 -2.227 21.370 0.197 138 H ASP 18 HN ASP 18 -4.553 23.055 1.024 139 HA ASP 18 HA ASP 18 -5.455 21.366 3.214 140 HB2 ASP 18 HB2 ASP 18 -5.390 23.713 4.203 141 HB3 ASP 18 HB1 ASP 18 -6.535 24.220 2.970 142 H SER 19 HN SER 19 -5.915 23.059 0.248 143 HA SER 19 HA SER 19 -8.701 22.394 -0.175 144 HB2 SER 19 HB2 SER 19 -6.644 23.604 -2.076 145 HB3 SER 19 HB1 SER 19 -8.372 23.463 -2.404 146 HG SER 19 HG SER 19 -7.017 25.170 -0.684 147 H ILE 20 HN ILE 20 -5.710 20.776 -0.727 148 HA ILE 20 HA ILE 20 -6.299 18.992 -2.800 149 HB ILE 20 HB ILE 20 -4.715 18.490 -0.229 150 HG12 ILE 20 HG12 ILE 20 -3.769 19.149 -3.059 151 HG13 ILE 20 HG11 ILE 20 -3.802 20.284 -1.709 152 HG21 ILE 20 HG21 ILE 20 -4.772 16.758 -2.738 153 HG22 ILE 20 HG22 ILE 20 -5.417 16.305 -1.159 154 HG23 ILE 20 HG23 ILE 20 -3.681 16.536 -1.370 155 HD11 ILE 20 HD11 ILE 20 -2.095 17.800 -1.926 156 HD12 ILE 20 HD12 ILE 20 -2.135 18.904 -0.545 157 HD13 ILE 20 HD13 ILE 20 -1.576 19.474 -2.114 158 H VAL 21 HN VAL 21 -7.961 17.632 -3.017 159 HA VAL 21 HA VAL 21 -9.196 16.351 -0.650 160 HB VAL 21 HB VAL 21 -10.631 17.205 -3.216 161 HG11 VAL 21 HG11 VAL 21 -11.748 15.770 -0.769 162 HG12 VAL 21 HG12 VAL 21 -11.549 15.074 -2.377 163 HG13 VAL 21 HG13 VAL 21 -12.712 16.376 -2.121 164 HG21 VAL 21 HG21 VAL 21 -10.195 19.117 -1.709 165 HG22 VAL 21 HG22 VAL 21 -10.963 18.255 -0.373 166 HG23 VAL 21 HG23 VAL 21 -11.919 18.746 -1.773 167 H LEU 22 HN LEU 22 -8.508 14.356 -0.679 168 HA LEU 22 HA LEU 22 -7.383 13.051 -2.942 169 HB2 LEU 22 HB2 LEU 22 -8.082 11.957 -0.188 170 HB3 LEU 22 HB1 LEU 22 -7.079 11.145 -1.389 171 HG LEU 22 HG LEU 22 -6.403 13.766 0.007 172 HD11 LEU 22 HD11 LEU 22 -4.624 12.502 1.102 173 HD12 LEU 22 HD12 LEU 22 -5.158 11.019 0.307 174 HD13 LEU 22 HD13 LEU 22 -6.204 11.822 1.483 175 HD21 LEU 22 HD21 LEU 22 -4.210 13.604 -1.121 176 HD22 LEU 22 HD22 LEU 22 -5.519 13.777 -2.285 177 HD23 LEU 22 HD23 LEU 22 -4.770 12.196 -2.030 178 H THR 23 HN THR 23 -8.336 11.813 -4.346 179 HA THR 23 HA THR 23 -10.810 10.332 -3.717 180 HB THR 23 HB THR 23 -11.525 10.567 -6.106 181 HG1 THR 23 HG1 THR 23 -9.695 12.671 -6.475 182 HG21 THR 23 HG21 THR 23 -12.462 12.171 -4.463 183 HG22 THR 23 HG22 THR 23 -12.292 12.908 -6.058 184 HG23 THR 23 HG23 THR 23 -11.126 13.279 -4.786 185 H ARG 24 HN ARG 24 -10.927 8.373 -5.203 186 HA ARG 24 HA ARG 24 -8.630 6.807 -4.945 187 HB2 ARG 24 HB2 ARG 24 -11.051 6.397 -6.734 188 HB3 ARG 24 HB1 ARG 24 -9.818 5.171 -6.440 189 HG2 ARG 24 HG2 ARG 24 -10.406 5.130 -4.051 190 HG3 ARG 24 HG1 ARG 24 -11.619 6.390 -4.315 191 HD2 ARG 24 HD2 ARG 24 -12.858 4.897 -5.824 192 HD3 ARG 24 HD1 ARG 24 -11.637 3.640 -5.609 193 HE ARG 24 HE ARG 24 -12.524 4.200 -3.074 194 HH11 ARG 24 HH11 ARG 24 -14.089 3.186 -6.051 195 HH12 ARG 24 HH12 ARG 24 -15.304 2.258 -5.240 196 HH21 ARG 24 HH21 ARG 24 -14.113 2.973 -2.024 197 HH22 ARG 24 HH22 ARG 24 -15.316 2.133 -2.951 198 H GLU 25 HN GLU 25 -9.666 8.868 -7.603 199 HA GLU 25 HA GLU 25 -7.866 7.644 -9.545 200 HB2 GLU 25 HB2 GLU 25 -8.823 9.322 -11.103 201 HB3 GLU 25 HB1 GLU 25 -10.061 8.372 -10.292 202 HG2 GLU 25 HG2 GLU 25 -10.554 10.204 -8.774 203 HG3 GLU 25 HG1 GLU 25 -9.231 11.160 -9.435 204 H THR 26 HN THR 26 -7.557 10.146 -7.194 205 HA THR 26 HA THR 26 -6.084 12.121 -8.593 206 HB THR 26 HB THR 26 -6.002 11.471 -5.608 207 HG1 THR 26 HG1 THR 26 -7.931 12.463 -7.178 208 HG21 THR 26 HG21 THR 26 -5.341 13.843 -5.304 209 HG22 THR 26 HG22 THR 26 -5.248 14.047 -7.054 210 HG23 THR 26 HG23 THR 26 -4.121 12.962 -6.231 211 H SER 27 HN SER 27 -4.116 11.880 -9.512 212 HA SER 27 HA SER 27 -2.003 10.340 -8.119 213 HB2 SER 27 HB2 SER 27 -1.143 9.614 -10.305 214 HB3 SER 27 HB1 SER 27 -2.827 9.122 -10.147 215 HG SER 27 HG SER 27 -3.348 11.040 -11.359 216 H ALA 28 HN ALA 28 0.170 10.992 -9.374 217 HA ALA 28 HA ALA 28 0.819 13.600 -8.677 218 HB1 ALA 28 HB1 ALA 28 2.983 13.177 -9.730 219 HB2 ALA 28 HB2 ALA 28 2.312 11.780 -10.576 220 HB3 ALA 28 HB3 ALA 28 2.443 11.766 -8.817 221 H ASN 29 HN ASN 29 -0.583 12.510 -11.685 222 HA ASN 29 HA ASN 29 0.190 14.879 -13.179 223 HB2 ASN 29 HB2 ASN 29 -0.853 13.979 -15.056 224 HB3 ASN 29 HB1 ASN 29 -0.426 12.526 -14.175 225 HD21 ASN 29 HD21 ASN 29 -2.062 11.174 -13.466 226 HD22 ASN 29 HD22 ASN 29 -3.729 11.429 -13.832 227 H ASP 30 HN ASP 30 -2.419 14.014 -11.046 228 HA ASP 30 HA ASP 30 -4.246 16.116 -11.825 229 HB2 ASP 30 HB2 ASP 30 -4.208 14.299 -9.371 230 HB3 ASP 30 HB1 ASP 30 -5.522 15.400 -9.783 231 H ILE 31 HN ILE 31 -1.475 15.881 -9.773 232 HA ILE 31 HA ILE 31 -2.007 18.571 -8.646 233 HB ILE 31 HB ILE 31 -0.474 16.299 -7.276 234 HG12 ILE 31 HG12 ILE 31 -3.147 17.594 -6.537 235 HG13 ILE 31 HG11 ILE 31 -2.936 15.962 -7.152 236 HG21 ILE 31 HG21 ILE 31 -0.990 19.134 -6.280 237 HG22 ILE 31 HG22 ILE 31 0.569 18.483 -6.792 238 HG23 ILE 31 HG23 ILE 31 -0.221 17.846 -5.350 239 HD11 ILE 31 HD11 ILE 31 -1.985 17.001 -4.482 240 HD12 ILE 31 HD12 ILE 31 -1.730 15.362 -5.090 241 HD13 ILE 31 HD13 ILE 31 -3.364 15.947 -4.780 242 H ASP 32 HN ASP 32 -0.784 19.889 -9.810 243 HA ASP 32 HA ASP 32 1.484 19.262 -11.350 244 HB2 ASP 32 HB2 ASP 32 -0.038 21.205 -11.779 245 HB3 ASP 32 HB1 ASP 32 0.572 21.999 -10.335 246 H ALA 33 HN ALA 33 1.176 20.357 -8.023 247 HA ALA 33 HA ALA 33 3.932 21.004 -7.570 248 HB1 ALA 33 HB1 ALA 33 1.772 20.259 -5.570 249 HB2 ALA 33 HB2 ALA 33 2.115 21.888 -6.157 250 HB3 ALA 33 HB3 ALA 33 3.319 21.030 -5.193 251 H TRP 34 HN TRP 34 2.263 17.974 -7.788 252 HA TRP 34 HA TRP 34 3.955 16.475 -6.004 253 HB2 TRP 34 HB2 TRP 34 1.446 16.057 -6.624 254 HB3 TRP 34 HB1 TRP 34 2.065 15.285 -8.071 255 HD1 TRP 34 HD1 TRP 34 4.555 13.989 -5.973 256 HE1 TRP 34 HE1 TRP 34 3.877 11.833 -4.748 257 HE3 TRP 34 HE3 TRP 34 -0.527 14.276 -6.562 258 HZ2 TRP 34 HZ2 TRP 34 1.526 10.418 -4.160 259 HZ3 TRP 34 HZ3 TRP 34 -1.919 12.459 -5.657 260 HH2 TRP 34 HH2 TRP 34 -0.909 10.569 -4.476 261 H ASP 35 HN ASP 35 5.944 15.983 -6.548 262 HA ASP 35 HA ASP 35 6.679 15.024 -9.253 263 HB2 ASP 35 HB2 ASP 35 8.328 16.702 -7.293 264 HB3 ASP 35 HB1 ASP 35 9.044 15.838 -8.656 265 H SER 36 HN SER 36 8.797 13.596 -9.014 266 HA SER 36 HA SER 36 8.441 11.381 -7.369 267 HB2 SER 36 HB2 SER 36 11.151 12.373 -8.344 268 HB3 SER 36 HB1 SER 36 10.662 10.705 -8.048 269 H LEU 37 HN LEU 37 10.175 14.383 -6.811 270 HA LEU 37 HA LEU 37 11.430 13.771 -4.351 271 HB2 LEU 37 HB2 LEU 37 12.020 15.685 -5.847 272 HB3 LEU 37 HB1 LEU 37 10.526 16.484 -5.407 273 HG LEU 37 HG LEU 37 12.725 17.307 -4.312 274 HD11 LEU 37 HD11 LEU 37 11.692 17.869 -2.183 275 HD12 LEU 37 HD12 LEU 37 10.435 16.658 -2.444 276 HD13 LEU 37 HD13 LEU 37 10.548 18.060 -3.509 277 HD21 LEU 37 HD21 LEU 37 13.679 15.123 -3.739 278 HD22 LEU 37 HD22 LEU 37 12.364 14.829 -2.598 279 HD23 LEU 37 HD23 LEU 37 13.506 16.142 -2.309 280 H SER 38 HN SER 38 8.249 15.174 -5.111 281 HA SER 38 HA SER 38 7.427 15.644 -2.423 282 HB2 SER 38 HB2 SER 38 5.629 15.150 -4.831 283 HB3 SER 38 HB1 SER 38 5.217 16.021 -3.346 284 HG SER 38 HG SER 38 6.896 17.531 -3.936 285 H HIS 39 HN HIS 39 7.254 12.845 -4.568 286 HA HIS 39 HA HIS 39 5.737 11.104 -2.949 287 HB2 HIS 39 HB2 HIS 39 7.898 10.548 -5.010 288 HB3 HIS 39 HB1 HIS 39 7.117 9.240 -4.127 289 HD2 HIS 39 HD2 HIS 39 6.520 11.422 -7.198 290 HE1 HIS 39 HE1 HIS 39 2.964 9.310 -6.366 291 HE2 HIS 39 HE2 HIS 39 4.121 10.854 -8.000 292 H MET 40 HN MET 40 9.276 11.752 -2.978 293 HA MET 40 HA MET 40 10.068 9.898 -1.032 294 HB2 MET 40 HB2 MET 40 11.235 12.662 -1.588 295 HB3 MET 40 HB1 MET 40 12.020 11.432 -0.604 296 HG2 MET 40 HG2 MET 40 11.374 11.198 -3.550 297 HG3 MET 40 HG1 MET 40 12.969 11.464 -2.846 298 HE1 MET 40 HE1 MET 40 14.312 9.619 -1.458 299 HE2 MET 40 HE2 MET 40 13.630 8.060 -1.008 300 HE3 MET 40 HE3 MET 40 12.967 9.537 -0.313 301 H ASN 41 HN ASN 41 8.845 13.191 -0.655 302 HA ASN 41 HA ASN 41 8.940 13.311 2.193 303 HB2 ASN 41 HB2 ASN 41 7.344 14.923 0.161 304 HB3 ASN 41 HB1 ASN 41 7.308 15.251 1.894 305 HD21 ASN 41 HD21 ASN 41 9.218 15.450 -1.013 306 HD22 ASN 41 HD22 ASN 41 10.479 16.421 -0.349 307 H LEU 42 HN LEU 42 6.471 12.224 -0.112 308 HA LEU 42 HA LEU 42 4.288 11.869 1.618 309 HB2 LEU 42 HB2 LEU 42 4.972 11.089 -1.110 310 HB3 LEU 42 HB1 LEU 42 4.227 9.722 -0.319 311 HG LEU 42 HG LEU 42 2.553 10.986 -1.548 312 HD11 LEU 42 HD11 LEU 42 0.922 11.401 0.222 313 HD12 LEU 42 HD12 LEU 42 2.198 11.350 1.439 314 HD13 LEU 42 HD13 LEU 42 1.815 9.906 0.497 315 HD21 LEU 42 HD21 LEU 42 3.288 13.384 0.156 316 HD22 LEU 42 HD22 LEU 42 1.981 13.298 -1.032 317 HD23 LEU 42 HD23 LEU 42 3.659 13.175 -1.556 318 H ILE 43 HN ILE 43 6.707 9.447 0.578 319 HA ILE 43 HA ILE 43 5.713 7.288 2.060 320 HB ILE 43 HB ILE 43 8.428 7.806 0.789 321 HG12 ILE 43 HG12 ILE 43 7.789 5.843 -0.648 322 HG13 ILE 43 HG11 ILE 43 6.264 5.723 0.220 323 HG21 ILE 43 HG21 ILE 43 8.979 6.488 2.780 324 HG22 ILE 43 HG22 ILE 43 9.159 5.496 1.334 325 HG23 ILE 43 HG23 ILE 43 7.740 5.298 2.368 326 HD11 ILE 43 HD11 ILE 43 5.994 6.763 -1.936 327 HD12 ILE 43 HD12 ILE 43 7.164 8.008 -1.519 328 HD13 ILE 43 HD13 ILE 43 5.626 7.917 -0.659 329 H VAL 44 HN VAL 44 8.434 9.538 2.866 330 HA VAL 44 HA VAL 44 9.122 8.283 5.285 331 HB VAL 44 HB VAL 44 10.370 10.315 5.876 332 HG11 VAL 44 HG11 VAL 44 11.900 10.371 3.941 333 HG12 VAL 44 HG12 VAL 44 10.687 9.553 2.955 334 HG13 VAL 44 HG13 VAL 44 11.413 8.723 4.336 335 HG21 VAL 44 HG21 VAL 44 10.378 12.308 4.401 336 HG22 VAL 44 HG22 VAL 44 8.792 12.054 5.132 337 HG23 VAL 44 HG23 VAL 44 9.072 11.602 3.448 338 H SER 45 HN SER 45 6.686 10.773 4.624 339 HA SER 45 HA SER 45 5.998 11.346 7.332 340 HB2 SER 45 HB2 SER 45 4.308 11.531 4.807 341 HB3 SER 45 HB1 SER 45 3.867 12.228 6.366 342 HG SER 45 HG SER 45 5.418 13.253 4.474 343 H LEU 46 HN LEU 46 4.809 8.964 4.991 344 HA LEU 46 HA LEU 46 2.709 7.888 6.585 345 HB2 LEU 46 HB2 LEU 46 4.235 6.664 4.257 346 HB3 LEU 46 HB1 LEU 46 2.731 6.037 4.915 347 HG LEU 46 HG LEU 46 3.044 8.742 3.542 348 HD11 LEU 46 HD11 LEU 46 3.274 6.908 1.934 349 HD12 LEU 46 HD12 LEU 46 1.766 7.782 1.683 350 HD13 LEU 46 HD13 LEU 46 1.748 6.210 2.488 351 HD21 LEU 46 HD21 LEU 46 0.525 7.365 4.510 352 HD22 LEU 46 HD22 LEU 46 0.613 8.892 3.625 353 HD23 LEU 46 HD23 LEU 46 1.284 8.779 5.248 354 H GLU 47 HN GLU 47 6.115 7.170 6.254 355 HA GLU 47 HA GLU 47 6.284 4.708 7.646 356 HB2 GLU 47 HB2 GLU 47 8.363 6.912 7.256 357 HB3 GLU 47 HB1 GLU 47 8.725 5.314 7.915 358 HG2 GLU 47 HG2 GLU 47 7.618 5.833 5.140 359 HG3 GLU 47 HG1 GLU 47 9.328 5.643 5.502 360 H VAL 48 HN VAL 48 6.983 8.069 8.706 361 HA VAL 48 HA VAL 48 7.630 7.289 11.360 362 HB VAL 48 HB VAL 48 7.797 9.689 11.877 363 HG11 VAL 48 HG11 VAL 48 9.711 8.590 10.803 364 HG12 VAL 48 HG12 VAL 48 9.598 10.269 10.279 365 HG13 VAL 48 HG13 VAL 48 9.059 8.977 9.204 366 HG21 VAL 48 HG21 VAL 48 6.718 10.212 9.078 367 HG22 VAL 48 HG22 VAL 48 7.365 11.434 10.177 368 HG23 VAL 48 HG23 VAL 48 5.883 10.573 10.594 369 H HIS 49 HN HIS 49 4.670 8.672 9.943 370 HA HIS 49 HA HIS 49 3.347 9.094 12.425 371 HB2 HIS 49 HB2 HIS 49 2.376 9.074 9.554 372 HB3 HIS 49 HB1 HIS 49 1.241 9.247 10.887 373 HD1 HIS 49 HD1 HIS 49 1.551 11.405 12.410 374 HD2 HIS 49 HD2 HIS 49 3.695 11.410 8.858 375 HE1 HIS 49 HE1 HIS 49 2.244 13.789 12.047 376 HE2 HIS 49 HE2 HIS 49 3.767 13.691 10.047 377 H TYR 50 HN TYR 50 2.940 6.510 9.957 378 HA TYR 50 HA TYR 50 0.947 5.184 11.642 379 HB2 TYR 50 HB2 TYR 50 2.009 4.451 8.886 380 HB3 TYR 50 HB1 TYR 50 0.684 3.635 9.707 381 HD1 TYR 50 HD2 TYR 50 1.713 6.825 8.095 382 HD2 TYR 50 HD1 TYR 50 -1.565 4.589 9.687 383 HE1 TYR 50 HE2 TYR 50 0.132 8.430 7.117 384 HE2 TYR 50 HE1 TYR 50 -3.138 6.206 8.714 385 HH TYR 50 HH TYR 50 -2.200 8.530 6.418 386 H LYS 51 HN LYS 51 4.323 5.018 11.208 387 HA LYS 51 HA LYS 51 5.991 3.554 11.520 388 HB2 LYS 51 HB2 LYS 51 4.134 2.577 13.713 389 HB3 LYS 51 HB1 LYS 51 5.751 1.925 13.498 390 HG2 LYS 51 HG2 LYS 51 5.905 3.541 15.236 391 HG3 LYS 51 HG1 LYS 51 6.655 4.259 13.816 392 HD2 LYS 51 HD2 LYS 51 5.386 6.007 14.803 393 HD3 LYS 51 HD1 LYS 51 4.434 5.483 13.416 394 HE2 LYS 51 HE2 LYS 51 3.923 4.667 16.303 395 HE3 LYS 51 HE1 LYS 51 3.046 5.920 15.434 396 HZ1 LYS 51 HZ1 LYS 51 1.818 3.859 15.503 397 HZ2 LYS 51 HZ2 LYS 51 3.078 3.037 14.733 398 HZ3 LYS 51 HZ3 LYS 51 2.230 4.243 13.911 399 H ILE 52 HN ILE 52 4.708 2.989 9.330 400 HA ILE 52 HA ILE 52 4.560 0.028 9.196 401 HB ILE 52 HB ILE 52 3.058 0.256 7.218 402 HG12 ILE 52 HG12 ILE 52 3.065 3.246 7.879 403 HG13 ILE 52 HG11 ILE 52 3.647 2.498 6.396 404 HG21 ILE 52 HG21 ILE 52 1.945 1.624 9.702 405 HG22 ILE 52 HG22 ILE 52 2.092 -0.117 9.468 406 HG23 ILE 52 HG23 ILE 52 0.994 0.813 8.450 407 HD11 ILE 52 HD11 ILE 52 0.775 2.607 7.331 408 HD12 ILE 52 HD12 ILE 52 1.340 1.807 5.862 409 HD13 ILE 52 HD13 ILE 52 1.502 3.554 6.035 410 H LYS 53 HN LYS 53 4.833 -0.375 6.547 411 HA LYS 53 HA LYS 53 7.522 0.712 5.921 412 HB2 LYS 53 HB2 LYS 53 7.826 -1.449 6.974 413 HB3 LYS 53 HB1 LYS 53 6.571 -2.192 5.994 414 HG2 LYS 53 HG2 LYS 53 9.007 -1.072 4.608 415 HG3 LYS 53 HG1 LYS 53 9.177 -2.583 5.509 416 HD2 LYS 53 HD2 LYS 53 7.423 -3.630 4.132 417 HD3 LYS 53 HD1 LYS 53 7.146 -2.108 3.284 418 HE2 LYS 53 HE2 LYS 53 9.449 -2.207 2.380 419 HE3 LYS 53 HE1 LYS 53 9.695 -3.754 3.199 420 HZ1 LYS 53 HZ1 LYS 53 9.107 -4.067 0.887 421 HZ2 LYS 53 HZ2 LYS 53 7.670 -3.197 1.097 422 HZ3 LYS 53 HZ3 LYS 53 7.885 -4.678 1.880 423 H PHE 54 HN PHE 54 7.459 1.690 3.955 424 HA PHE 54 HA PHE 54 5.998 0.337 1.739 425 HB2 PHE 54 HB2 PHE 54 6.802 3.287 1.937 426 HB3 PHE 54 HB1 PHE 54 6.105 2.528 0.515 427 HD1 PHE 54 HD1 PHE 54 5.408 3.696 3.936 428 HD2 PHE 54 HD2 PHE 54 3.706 1.981 0.405 429 HE1 PHE 54 HE1 PHE 54 3.163 4.205 4.758 430 HE2 PHE 54 HE2 PHE 54 1.456 2.530 1.251 431 HZ PHE 54 HZ PHE 54 1.190 3.636 3.422 432 H ALA 55 HN ALA 55 7.239 -0.527 0.210 433 HA ALA 55 HA ALA 55 10.088 0.209 -0.054 434 HB1 ALA 55 HB1 ALA 55 10.253 -1.778 -1.521 435 HB2 ALA 55 HB2 ALA 55 8.525 -2.084 -1.317 436 HB3 ALA 55 HB3 ALA 55 9.614 -2.214 0.067 437 H LEU 56 HN LEU 56 10.788 1.213 -1.925 438 HA LEU 56 HA LEU 56 8.975 2.869 -3.380 439 HB2 LEU 56 HB2 LEU 56 11.381 3.411 -2.929 440 HB3 LEU 56 HB1 LEU 56 11.884 2.143 -4.016 441 HG LEU 56 HG LEU 56 12.032 4.610 -4.821 442 HD11 LEU 56 HD11 LEU 56 10.706 2.613 -6.661 443 HD12 LEU 56 HD12 LEU 56 12.433 2.760 -6.340 444 HD13 LEU 56 HD13 LEU 56 11.582 4.067 -7.159 445 HD21 LEU 56 HD21 LEU 56 10.061 5.595 -5.852 446 HD22 LEU 56 HD22 LEU 56 9.777 5.319 -4.135 447 HD23 LEU 56 HD23 LEU 56 9.067 4.230 -5.330 448 H GLY 57 HN GLY 57 10.302 -0.340 -4.007 449 HA2 GLY 57 HA2 GLY 57 9.465 -0.796 -6.654 450 HA3 GLY 57 HA1 GLY 57 9.626 -2.022 -5.408 451 H GLU 58 HN GLU 58 7.649 -1.110 -3.586 452 HA GLU 58 HA GLU 58 5.178 -2.009 -4.692 453 HB2 GLU 58 HB2 GLU 58 5.629 -0.441 -2.102 454 HB3 GLU 58 HB1 GLU 58 4.137 -1.275 -2.546 455 HG2 GLU 58 HG2 GLU 58 5.391 -3.427 -2.557 456 HG3 GLU 58 HG1 GLU 58 6.830 -2.563 -2.015 457 H LEU 59 HN LEU 59 6.573 1.185 -4.127 458 HA LEU 59 HA LEU 59 4.285 2.762 -4.693 459 HB2 LEU 59 HB2 LEU 59 7.251 3.353 -4.649 460 HB3 LEU 59 HB1 LEU 59 6.145 4.564 -5.262 461 HG LEU 59 HG LEU 59 6.701 5.054 -2.952 462 HD11 LEU 59 HD11 LEU 59 3.846 4.088 -3.175 463 HD12 LEU 59 HD12 LEU 59 4.472 5.659 -3.677 464 HD13 LEU 59 HD13 LEU 59 4.475 5.217 -1.972 465 HD21 LEU 59 HD21 LEU 59 7.272 2.837 -2.131 466 HD22 LEU 59 HD22 LEU 59 5.582 2.339 -2.212 467 HD23 LEU 59 HD23 LEU 59 6.082 3.599 -1.078 468 H GLN 60 HN GLN 60 6.733 1.306 -6.772 469 HA GLN 60 HA GLN 60 6.111 2.612 -9.193 470 HB2 GLN 60 HB2 GLN 60 7.058 -0.265 -8.858 471 HB3 GLN 60 HB1 GLN 60 7.182 0.704 -10.323 472 HG2 GLN 60 HG2 GLN 60 8.689 1.087 -7.723 473 HG3 GLN 60 HG1 GLN 60 9.343 0.587 -9.279 474 HE21 GLN 60 HE21 GLN 60 8.228 3.280 -7.365 475 HE22 GLN 60 HE22 GLN 60 8.796 4.529 -8.415 476 H LYS 61 HN LYS 61 4.489 0.067 -7.457 477 HA LYS 61 HA LYS 61 2.755 -0.780 -9.634 478 HB2 LYS 61 HB2 LYS 61 2.352 -1.403 -6.672 479 HB3 LYS 61 HB1 LYS 61 1.800 -2.335 -8.064 480 HG2 LYS 61 HG2 LYS 61 4.672 -2.013 -7.134 481 HG3 LYS 61 HG1 LYS 61 3.659 -3.445 -6.919 482 HD2 LYS 61 HD2 LYS 61 3.594 -3.758 -9.382 483 HD3 LYS 61 HD1 LYS 61 4.581 -2.308 -9.596 484 HE2 LYS 61 HE2 LYS 61 5.941 -4.351 -9.771 485 HE3 LYS 61 HE1 LYS 61 6.436 -3.373 -8.389 486 HZ1 LYS 61 HZ1 LYS 61 5.186 -4.846 -6.945 487 HZ2 LYS 61 HZ2 LYS 61 6.325 -5.714 -7.835 488 HZ3 LYS 61 HZ3 LYS 61 4.693 -5.779 -8.266 489 H LEU 62 HN LEU 62 2.795 1.792 -7.371 490 HA LEU 62 HA LEU 62 -0.116 2.005 -7.108 491 HB2 LEU 62 HB2 LEU 62 2.033 3.747 -5.832 492 HB3 LEU 62 HB1 LEU 62 0.319 3.720 -5.428 493 HG LEU 62 HG LEU 62 2.394 1.576 -4.855 494 HD11 LEU 62 HD11 LEU 62 1.795 1.926 -2.512 495 HD12 LEU 62 HD12 LEU 62 0.628 3.168 -2.976 496 HD13 LEU 62 HD13 LEU 62 2.352 3.421 -3.258 497 HD21 LEU 62 HD21 LEU 62 0.381 0.412 -5.597 498 HD22 LEU 62 HD22 LEU 62 -0.604 1.323 -4.448 499 HD23 LEU 62 HD23 LEU 62 0.620 0.190 -3.866 500 H LYS 63 HN LYS 63 -1.066 2.950 -8.778 501 HA LYS 63 HA LYS 63 0.226 4.929 -10.455 502 HB2 LYS 63 HB2 LYS 63 -1.168 3.136 -11.437 503 HB3 LYS 63 HB1 LYS 63 -2.576 3.732 -10.559 504 HG2 LYS 63 HG2 LYS 63 -2.394 5.885 -11.842 505 HG3 LYS 63 HG1 LYS 63 -1.068 5.173 -12.774 506 HD2 LYS 63 HD2 LYS 63 -2.598 3.419 -13.610 507 HD3 LYS 63 HD1 LYS 63 -3.918 4.102 -12.653 508 HE2 LYS 63 HE2 LYS 63 -3.735 6.215 -13.962 509 HE3 LYS 63 HE1 LYS 63 -2.464 5.480 -14.939 510 HZ1 LYS 63 HZ1 LYS 63 -4.629 5.391 -16.010 511 HZ2 LYS 63 HZ2 LYS 63 -5.243 4.477 -14.727 512 HZ3 LYS 63 HZ3 LYS 63 -4.023 3.845 -15.709 513 H ASN 64 HN ASN 64 -2.111 4.924 -7.810 514 HA ASN 64 HA ASN 64 -2.160 7.817 -7.711 515 HB2 ASN 64 HB2 ASN 64 -4.691 7.959 -7.969 516 HB3 ASN 64 HB1 ASN 64 -3.819 7.582 -9.447 517 HD21 ASN 64 HD21 ASN 64 -5.490 6.595 -10.487 518 HD22 ASN 64 HD22 ASN 64 -6.188 5.097 -9.988 519 H VAL 65 HN VAL 65 -4.192 8.383 -6.079 520 HA VAL 65 HA VAL 65 -3.357 7.376 -3.534 521 HB VAL 65 HB VAL 65 -5.672 9.270 -4.170 522 HG11 VAL 65 HG11 VAL 65 -4.256 8.806 -1.508 523 HG12 VAL 65 HG12 VAL 65 -5.901 8.315 -1.901 524 HG13 VAL 65 HG13 VAL 65 -5.499 10.029 -1.813 525 HG21 VAL 65 HG21 VAL 65 -2.822 9.954 -3.343 526 HG22 VAL 65 HG22 VAL 65 -4.130 11.107 -3.627 527 HG23 VAL 65 HG23 VAL 65 -3.494 10.149 -4.962 528 H GLY 66 HN GLY 66 -5.736 6.376 -5.804 529 HA2 GLY 66 HA2 GLY 66 -7.427 4.860 -4.030 530 HA3 GLY 66 HA1 GLY 66 -7.275 4.662 -5.776 531 H ASP 67 HN ASP 67 -4.498 4.206 -5.941 532 HA ASP 67 HA ASP 67 -4.188 1.481 -5.141 533 HB2 ASP 67 HB2 ASP 67 -2.224 3.534 -6.232 534 HB3 ASP 67 HB1 ASP 67 -1.757 1.874 -5.863 535 H LEU 68 HN LEU 68 -3.017 4.602 -3.841 536 HA LEU 68 HA LEU 68 -1.638 3.550 -1.594 537 HB2 LEU 68 HB2 LEU 68 -2.800 6.253 -2.248 538 HB3 LEU 68 HB1 LEU 68 -2.400 5.939 -0.580 539 HG LEU 68 HG LEU 68 -0.595 7.159 -1.602 540 HD11 LEU 68 HD11 LEU 68 0.246 4.286 -1.137 541 HD12 LEU 68 HD12 LEU 68 0.037 5.532 0.096 542 HD13 LEU 68 HD13 LEU 68 1.310 5.697 -1.112 543 HD21 LEU 68 HD21 LEU 68 -0.950 6.581 -3.954 544 HD22 LEU 68 HD22 LEU 68 -0.369 4.940 -3.661 545 HD23 LEU 68 HD23 LEU 68 0.730 6.311 -3.490 546 H ALA 69 HN ALA 69 -5.063 4.199 -2.205 547 HA ALA 69 HA ALA 69 -6.011 3.961 0.444 548 HB1 ALA 69 HB1 ALA 69 -8.223 3.499 -0.540 549 HB2 ALA 69 HB2 ALA 69 -7.477 3.252 -2.122 550 HB3 ALA 69 HB3 ALA 69 -7.432 4.846 -1.365 551 H ASP 70 HN ASP 70 -5.652 1.548 -2.164 552 HA ASP 70 HA ASP 70 -6.288 -0.779 -0.723 553 HB2 ASP 70 HB2 ASP 70 -4.234 -0.495 -2.967 554 HB3 ASP 70 HB1 ASP 70 -4.899 -2.020 -2.388 555 H LEU 71 HN LEU 71 -3.116 0.759 -1.273 556 HA LEU 71 HA LEU 71 -1.618 -1.374 -0.173 557 HB2 LEU 71 HB2 LEU 71 -1.026 0.460 -1.984 558 HB3 LEU 71 HB1 LEU 71 -0.466 1.395 -0.618 559 HG LEU 71 HG LEU 71 1.330 0.170 -1.891 560 HD11 LEU 71 HD11 LEU 71 1.767 0.882 0.363 561 HD12 LEU 71 HD12 LEU 71 2.578 -0.640 0.023 562 HD13 LEU 71 HD13 LEU 71 1.109 -0.620 1.008 563 HD21 LEU 71 HD21 LEU 71 0.131 -1.884 -2.435 564 HD22 LEU 71 HD22 LEU 71 0.108 -2.347 -0.730 565 HD23 LEU 71 HD23 LEU 71 1.644 -2.230 -1.596 566 H VAL 72 HN VAL 72 -2.242 1.941 1.090 567 HA VAL 72 HA VAL 72 -0.998 1.659 3.583 568 HB VAL 72 HB VAL 72 -3.395 3.413 2.874 569 HG11 VAL 72 HG11 VAL 72 -2.732 4.814 4.832 570 HG12 VAL 72 HG12 VAL 72 -1.503 3.620 5.263 571 HG13 VAL 72 HG13 VAL 72 -3.215 3.191 5.319 572 HG21 VAL 72 HG21 VAL 72 -0.429 4.109 2.900 573 HG22 VAL 72 HG22 VAL 72 -1.742 5.237 2.554 574 HG23 VAL 72 HG23 VAL 72 -1.427 3.890 1.461 575 H ASP 73 HN ASP 73 -4.339 0.826 2.549 576 HA ASP 73 HA ASP 73 -5.293 0.049 5.136 577 HB2 ASP 73 HB2 ASP 73 -6.803 0.556 3.193 578 HB3 ASP 73 HB1 ASP 73 -6.275 -0.927 2.416 579 H LYS 74 HN LYS 74 -3.503 -1.609 2.634 580 HA LYS 74 HA LYS 74 -3.752 -4.287 3.570 581 HB2 LYS 74 HB2 LYS 74 -1.399 -3.089 2.033 582 HB3 LYS 74 HB1 LYS 74 -1.678 -4.805 2.291 583 HG2 LYS 74 HG2 LYS 74 -3.269 -2.906 0.568 584 HG3 LYS 74 HG1 LYS 74 -2.342 -4.315 0.061 585 HD2 LYS 74 HD2 LYS 74 -3.982 -5.805 1.136 586 HD3 LYS 74 HD1 LYS 74 -4.874 -4.411 1.755 587 HE2 LYS 74 HE2 LYS 74 -5.315 -3.708 -0.620 588 HE3 LYS 74 HE1 LYS 74 -4.545 -5.204 -1.163 589 HZ1 LYS 74 HZ1 LYS 74 -6.933 -5.029 0.591 590 HZ2 LYS 74 HZ2 LYS 74 -6.216 -6.452 0.031 591 HZ3 LYS 74 HZ3 LYS 74 -6.951 -5.396 -1.059 592 H LYS 75 HN LYS 75 -1.452 -1.691 4.282 593 HA LYS 75 HA LYS 75 0.292 -3.206 5.967 594 HB2 LYS 75 HB2 LYS 75 -0.154 -0.174 5.951 595 HB3 LYS 75 HB1 LYS 75 1.246 -1.018 6.614 596 HG2 LYS 75 HG2 LYS 75 0.467 -0.913 3.683 597 HG3 LYS 75 HG1 LYS 75 1.717 0.072 4.451 598 HD2 LYS 75 HD2 LYS 75 3.041 -1.930 4.944 599 HD3 LYS 75 HD1 LYS 75 1.767 -2.975 4.296 600 HE2 LYS 75 HE2 LYS 75 2.119 -2.083 2.057 601 HE3 LYS 75 HE1 LYS 75 3.250 -0.880 2.674 602 HZ1 LYS 75 HZ1 LYS 75 3.675 -3.808 2.761 603 HZ2 LYS 75 HZ2 LYS 75 4.759 -2.619 3.272 604 HZ3 LYS 75 HZ3 LYS 75 4.359 -2.747 1.637 605 H LEU 76 HN LEU 76 -2.399 -0.960 6.588 606 HA LEU 76 HA LEU 76 -2.291 -1.066 9.434 607 HB2 LEU 76 HB2 LEU 76 -4.551 -0.229 7.578 608 HB3 LEU 76 HB1 LEU 76 -4.543 0.031 9.317 609 HG LEU 76 HG LEU 76 -2.637 1.308 7.308 610 HD11 LEU 76 HD11 LEU 76 -4.890 2.267 7.210 611 HD12 LEU 76 HD12 LEU 76 -3.742 3.420 7.889 612 HD13 LEU 76 HD13 LEU 76 -4.860 2.560 8.952 613 HD21 LEU 76 HD21 LEU 76 -1.457 0.893 9.424 614 HD22 LEU 76 HD22 LEU 76 -2.742 1.704 10.323 615 HD23 LEU 76 HD23 LEU 76 -1.738 2.619 9.194 616 H ALA 77 HN ALA 77 -3.855 -3.064 7.005 617 HA ALA 77 HA ALA 77 -5.481 -4.646 8.723 618 HB1 ALA 77 HB1 ALA 77 -5.521 -6.285 6.884 619 HB2 ALA 77 HB2 ALA 77 -4.187 -5.438 6.091 620 HB3 ALA 77 HB3 ALA 77 -5.753 -4.646 6.269 621 H ARG 78 HN ARG 78 -2.101 -4.921 7.658 622 HA ARG 78 HA ARG 78 -1.563 -7.430 8.971 623 HB2 ARG 78 HB2 ARG 78 0.422 -5.347 7.940 624 HB3 ARG 78 HB1 ARG 78 0.814 -7.005 8.397 625 HG2 ARG 78 HG2 ARG 78 -0.939 -6.143 6.081 626 HG3 ARG 78 HG1 ARG 78 0.694 -6.799 5.967 627 HD2 ARG 78 HD2 ARG 78 -0.066 -8.947 6.790 628 HD3 ARG 78 HD1 ARG 78 -1.672 -8.295 7.128 629 HE ARG 78 HE ARG 78 -1.246 -7.869 4.438 630 HH11 ARG 78 HH11 ARG 78 -1.386 -10.706 6.492 631 HH12 ARG 78 HH12 ARG 78 -2.055 -11.713 5.245 632 HH21 ARG 78 HH21 ARG 78 -2.147 -9.187 2.826 633 HH22 ARG 78 HH22 ARG 78 -2.501 -10.847 3.176 634 H LYS 79 HN LYS 79 -1.446 -4.086 9.892 635 HA LYS 79 HA LYS 79 0.238 -4.495 12.255 636 HB2 LYS 79 HB2 LYS 79 -1.165 -2.003 11.170 637 HB3 LYS 79 HB1 LYS 79 -0.256 -2.020 12.681 638 HG2 LYS 79 HG2 LYS 79 0.895 -2.634 9.940 639 HG3 LYS 79 HG1 LYS 79 1.026 -1.085 10.776 640 HD2 LYS 79 HD2 LYS 79 2.278 -2.207 12.620 641 HD3 LYS 79 HD1 LYS 79 2.169 -3.736 11.742 642 HE2 LYS 79 HE2 LYS 79 3.497 -2.767 9.894 643 HE3 LYS 79 HE1 LYS 79 3.583 -1.229 10.763 644 HZ1 LYS 79 HZ1 LYS 79 5.576 -2.508 11.076 645 HZ2 LYS 79 HZ2 LYS 79 4.701 -3.819 11.680 646 HZ3 LYS 79 HZ3 LYS 79 4.756 -2.369 12.546 647 H LEU 80 HN LEU 80 -2.932 -3.009 11.697 648 HA LEU 80 HA LEU 80 -4.673 -2.548 12.978 649 HB2 LEU 80 HB2 LEU 80 -4.866 -5.104 12.470 650 HB3 LEU 80 HB1 LEU 80 -4.477 -5.341 14.162 651 HG LEU 80 HG LEU 80 -6.940 -5.460 13.568 652 HD11 LEU 80 HD11 LEU 80 -7.782 -4.214 15.502 653 HD12 LEU 80 HD12 LEU 80 -6.253 -3.340 15.619 654 HD13 LEU 80 HD13 LEU 80 -6.296 -5.082 15.892 655 HD21 LEU 80 HD21 LEU 80 -6.709 -2.467 13.145 656 HD22 LEU 80 HD22 LEU 80 -8.204 -3.406 13.163 657 HD23 LEU 80 HD23 LEU 80 -7.013 -3.673 11.891 658 H GLU 81 HN GLU 81 -3.135 -4.712 15.377 659 HA GLU 81 HA GLU 81 -2.509 -4.490 17.524 660 HB2 GLU 81 HB2 GLU 81 -1.912 -1.575 16.843 661 HB3 GLU 81 HB1 GLU 81 -1.283 -2.464 18.228 662 HG2 GLU 81 HG2 GLU 81 -0.668 -3.068 15.311 663 HG3 GLU 81 HG1 GLU 81 0.391 -2.183 16.406 664 H HIS 82 HN HIS 82 -3.679 -1.162 17.239 665 HA HIS 82 HA HIS 82 -5.979 -1.727 19.000 666 HB2 HIS 82 HB2 HIS 82 -4.528 0.887 18.364 667 HB3 HIS 82 HB1 HIS 82 -5.996 0.783 19.334 668 HD1 HIS 82 HD1 HIS 82 -2.335 0.383 19.519 669 HD2 HIS 82 HD2 HIS 82 -5.632 -0.495 21.890 670 HE1 HIS 82 HE1 HIS 82 -1.403 -0.134 21.790 671 HE2 HIS 82 HE2 HIS 82 -3.403 -0.803 23.166 672 H HIS 83 HN HIS 83 -7.874 -0.208 18.460 673 HA HIS 83 HA HIS 83 -8.793 -0.872 15.832 674 HB2 HIS 83 HB2 HIS 83 -10.146 0.863 17.949 675 HB3 HIS 83 HB1 HIS 83 -10.923 0.171 16.523 676 HD1 HIS 83 HD1 HIS 83 -11.278 -0.367 19.790 677 HD2 HIS 83 HD2 HIS 83 -9.896 -2.939 16.836 678 HE1 HIS 83 HE1 HIS 83 -11.622 -2.676 20.705 679 HE2 HIS 83 HE2 HIS 83 -10.938 -4.218 18.830 680 H HIS 84 HN HIS 84 -7.382 1.982 17.300 681 HA HIS 84 HA HIS 84 -6.779 4.040 16.562 682 HB2 HIS 84 HB2 HIS 84 -5.710 2.805 14.723 683 HB3 HIS 84 HB1 HIS 84 -7.216 2.748 13.831 684 HD1 HIS 84 HD1 HIS 84 -7.471 4.467 12.084 685 HD2 HIS 84 HD2 HIS 84 -4.664 5.596 14.935 686 HE1 HIS 84 HE1 HIS 84 -6.426 6.565 11.198 687 HE2 HIS 84 HE2 HIS 84 -4.883 7.326 13.030 688 H HIS 85 HN HIS 85 -9.432 3.392 17.303 689 HA HIS 85 HA HIS 85 -11.492 4.156 17.571 690 HB2 HIS 85 HB2 HIS 85 -10.458 6.460 17.402 691 HB3 HIS 85 HB1 HIS 85 -10.893 6.478 15.697 692 HD1 HIS 85 HD1 HIS 85 -12.627 8.349 15.815 693 HD2 HIS 85 HD2 HIS 85 -13.375 5.295 18.533 694 HE1 HIS 85 HE1 HIS 85 -14.862 8.873 16.826 695 HE2 HIS 85 HE2 HIS 85 -15.198 7.119 18.590 696 H HIS 86 HN HIS 86 -10.685 4.655 14.094 697 HA HIS 86 HA HIS 86 -11.247 3.541 12.223 698 HB2 HIS 86 HB2 HIS 86 -10.881 1.480 13.609 699 HB3 HIS 86 HB1 HIS 86 -12.582 1.484 14.049 700 HD1 HIS 86 HD1 HIS 86 -14.222 0.521 12.354 701 HD2 HIS 86 HD2 HIS 86 -10.318 0.683 10.942 702 HE1 HIS 86 HE1 HIS 86 -14.218 -0.833 10.242 703 HE2 HIS 86 HE2 HIS 86 -11.838 -0.767 9.431 704 H HIS 87 HN HIS 87 -12.576 5.206 11.459 705 HA HIS 87 HA HIS 87 -15.421 5.249 12.018 706 HB2 HIS 87 HB2 HIS 87 -15.556 7.068 10.345 707 HB3 HIS 87 HB1 HIS 87 -14.301 7.380 11.526 708 HD1 HIS 87 HD1 HIS 87 -11.847 7.415 10.692 709 HD2 HIS 87 HD2 HIS 87 -14.651 6.778 7.688 710 HE1 HIS 87 HE1 HIS 87 -10.611 7.719 8.528 711 HE2 HIS 87 HE2 HIS 87 -12.371 7.531 6.743 712 H282 PNS 88 H282 PNS 88 7.054 11.270 -10.209 713 H281 PNS 88 H281 PNS 88 7.475 10.890 -11.884 714 H303 PNS 88 H303 PNS 88 4.671 11.290 -10.523 715 H302 PNS 88 H302 PNS 88 4.789 10.992 -12.259 716 H301 PNS 88 H301 PNS 88 3.790 9.936 -11.249 717 H313 PNS 88 H313 PNS 88 5.560 9.539 -8.903 718 H312 PNS 88 H312 PNS 88 4.819 8.202 -9.786 719 H311 PNS 88 H311 PNS 88 6.561 8.208 -9.490 720 H32 PNS 88 H32 PNS 88 6.117 9.107 -13.179 721 H33 PNS 88 H33 PNS 88 7.148 6.884 -12.262 722 H36 PNS 88 H36 PNS 88 3.663 8.967 -12.989 723 H372 PNS 88 H372 PNS 88 1.757 7.811 -13.370 724 H371 PNS 88 H371 PNS 88 2.716 6.325 -13.415 725 H382 PNS 88 H382 PNS 88 1.106 6.247 -11.576 726 H381 PNS 88 H381 PNS 88 2.760 6.267 -10.977 727 H41 PNS 88 H41 PNS 88 1.601 6.804 -8.971 728 H422 PNS 88 H422 PNS 88 2.002 9.324 -8.016 729 H421 PNS 88 H421 PNS 88 0.331 9.364 -8.590 730 H431 PNS 88 H431 PNS 88 -0.187 7.421 -7.147 731 H432 PNS 88 H432 PNS 88 0.388 8.796 -6.208 732 H44 PNS 88 H44 PNS 88 2.610 7.728 -5.313 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -12.153 0.531 7.178 2 H2 MET 1 HT2 MET 1 -13.223 1.598 6.422 3 H3 MET 1 HT3 MET 1 -12.468 2.036 7.867 4 HA MET 1 HA MET 1 -10.356 2.066 6.878 5 HB2 MET 1 HB2 MET 1 -10.087 1.774 4.401 6 HB3 MET 1 HB1 MET 1 -10.545 0.301 5.242 7 HG2 MET 1 HG2 MET 1 -12.396 2.052 3.602 8 HG3 MET 1 HG1 MET 1 -11.697 0.514 3.092 9 HE1 MET 1 HE1 MET 1 -14.271 -0.270 2.470 10 HE2 MET 1 HE2 MET 1 -14.891 1.266 3.082 11 HE3 MET 1 HE3 MET 1 -15.574 -0.252 3.662 12 HA PRO 2 HA PRO 2 -11.902 6.279 5.874 13 HB2 PRO 2 HB2 PRO 2 -10.913 7.604 7.954 14 HB3 PRO 2 HB1 PRO 2 -12.250 6.474 8.224 15 HG2 PRO 2 HG2 PRO 2 -9.311 6.100 8.794 16 HG3 PRO 2 HG1 PRO 2 -10.710 5.587 9.758 17 HD2 PRO 2 HD2 PRO 2 -9.271 3.974 7.892 18 HD3 PRO 2 HD1 PRO 2 -10.831 3.573 8.644 19 H THR 3 HN THR 3 -9.678 4.868 4.664 20 HA THR 3 HA THR 3 -7.151 5.719 5.515 21 HB THR 3 HB THR 3 -7.684 4.546 2.762 22 HG1 THR 3 HG1 THR 3 -7.506 3.119 5.232 23 HG21 THR 3 HG21 THR 3 -5.519 3.408 3.155 24 HG22 THR 3 HG22 THR 3 -5.380 4.193 4.729 25 HG23 THR 3 HG23 THR 3 -5.332 5.161 3.252 26 H LEU 4 HN LEU 4 -9.034 6.718 2.598 27 HA LEU 4 HA LEU 4 -7.105 8.357 1.382 28 HB2 LEU 4 HB2 LEU 4 -10.141 8.549 1.321 29 HB3 LEU 4 HB1 LEU 4 -9.085 9.480 0.270 30 HG LEU 4 HG LEU 4 -9.269 6.435 0.265 31 HD11 LEU 4 HD11 LEU 4 -10.478 6.694 -1.858 32 HD12 LEU 4 HD12 LEU 4 -10.450 8.452 -1.667 33 HD13 LEU 4 HD13 LEU 4 -11.351 7.449 -0.523 34 HD21 LEU 4 HD21 LEU 4 -7.973 6.581 -1.837 35 HD22 LEU 4 HD22 LEU 4 -7.065 7.247 -0.482 36 HD23 LEU 4 HD23 LEU 4 -7.837 8.333 -1.642 37 H ASP 5 HN ASP 5 -9.772 9.267 3.598 38 HA ASP 5 HA ASP 5 -9.092 12.061 3.569 39 HB2 ASP 5 HB2 ASP 5 -10.891 12.346 5.230 40 HB3 ASP 5 HB1 ASP 5 -11.423 11.401 3.849 41 H ALA 6 HN ALA 6 -8.314 9.354 5.704 42 HA ALA 6 HA ALA 6 -7.121 10.856 7.813 43 HB1 ALA 6 HB1 ALA 6 -6.099 8.711 8.483 44 HB2 ALA 6 HB2 ALA 6 -6.569 7.993 6.937 45 HB3 ALA 6 HB3 ALA 6 -7.807 8.499 8.089 46 H LEU 7 HN LEU 7 -5.952 9.604 4.731 47 HA LEU 7 HA LEU 7 -3.181 10.256 5.079 48 HB2 LEU 7 HB2 LEU 7 -4.852 9.670 2.602 49 HB3 LEU 7 HB1 LEU 7 -3.134 10.008 2.523 50 HG LEU 7 HG LEU 7 -4.356 7.622 3.976 51 HD11 LEU 7 HD11 LEU 7 -2.951 7.720 1.277 52 HD12 LEU 7 HD12 LEU 7 -4.671 7.424 1.548 53 HD13 LEU 7 HD13 LEU 7 -3.482 6.259 2.120 54 HD21 LEU 7 HD21 LEU 7 -2.230 8.328 4.973 55 HD22 LEU 7 HD22 LEU 7 -1.448 8.284 3.389 56 HD23 LEU 7 HD23 LEU 7 -2.044 6.792 4.128 57 H THR 8 HN THR 8 -6.067 12.057 4.121 58 HA THR 8 HA THR 8 -4.980 13.919 2.368 59 HB THR 8 HB THR 8 -7.327 14.425 4.231 60 HG1 THR 8 HG1 THR 8 -7.051 12.622 2.340 61 HG21 THR 8 HG21 THR 8 -6.613 15.710 1.564 62 HG22 THR 8 HG22 THR 8 -6.544 16.508 3.139 63 HG23 THR 8 HG23 THR 8 -8.097 15.990 2.478 64 HA PRO 9 HA PRO 9 -3.982 17.040 6.086 65 HB2 PRO 9 HB2 PRO 9 -3.405 15.837 8.530 66 HB3 PRO 9 HB1 PRO 9 -4.972 16.547 8.119 67 HG2 PRO 9 HG2 PRO 9 -4.108 13.663 7.978 68 HG3 PRO 9 HG1 PRO 9 -5.616 14.352 8.619 69 HD2 PRO 9 HD2 PRO 9 -5.559 13.250 6.172 70 HD3 PRO 9 HD1 PRO 9 -6.513 14.718 6.475 71 H ILE 10 HN ILE 10 -2.555 13.809 5.800 72 HA ILE 10 HA ILE 10 0.144 14.469 6.493 73 HB ILE 10 HB ILE 10 -0.773 12.297 4.549 74 HG12 ILE 10 HG12 ILE 10 -1.934 11.990 6.703 75 HG13 ILE 10 HG11 ILE 10 -0.767 10.703 6.446 76 HG21 ILE 10 HG21 ILE 10 1.839 12.541 6.088 77 HG22 ILE 10 HG22 ILE 10 1.621 12.692 4.340 78 HG23 ILE 10 HG23 ILE 10 1.353 11.139 5.134 79 HD11 ILE 10 HD11 ILE 10 -0.418 13.081 8.262 80 HD12 ILE 10 HD12 ILE 10 0.767 11.794 8.013 81 HD13 ILE 10 HD13 ILE 10 -0.795 11.429 8.745 82 H PHE 11 HN PHE 11 -1.634 14.264 3.441 83 HA PHE 11 HA PHE 11 0.541 14.920 1.705 84 HB2 PHE 11 HB2 PHE 11 -2.475 14.723 1.279 85 HB3 PHE 11 HB1 PHE 11 -1.364 15.126 -0.027 86 HD1 PHE 11 HD2 PHE 11 -1.266 12.507 2.714 87 HD2 PHE 11 HD1 PHE 11 -1.159 13.291 -1.479 88 HE1 PHE 11 HE2 PHE 11 -0.898 10.121 2.279 89 HE2 PHE 11 HE1 PHE 11 -0.778 10.898 -1.904 90 HZ PHE 11 HZ PHE 11 -0.647 9.311 -0.030 91 H ARG 12 HN ARG 12 -2.225 16.733 3.005 92 HA ARG 12 HA ARG 12 -1.792 19.236 1.836 93 HB2 ARG 12 HB2 ARG 12 -3.036 18.433 4.487 94 HB3 ARG 12 HB1 ARG 12 -2.967 20.117 3.973 95 HG2 ARG 12 HG2 ARG 12 -4.294 19.546 1.958 96 HG3 ARG 12 HG1 ARG 12 -4.388 17.868 2.506 97 HD2 ARG 12 HD2 ARG 12 -5.641 18.531 4.485 98 HD3 ARG 12 HD1 ARG 12 -5.441 20.244 4.092 99 HE ARG 12 HE ARG 12 -6.683 19.278 1.901 100 HH11 ARG 12 HH11 ARG 12 -7.485 18.980 5.306 101 HH12 ARG 12 HH12 ARG 12 -9.189 18.950 5.011 102 HH21 ARG 12 HH21 ARG 12 -8.886 19.185 1.553 103 HH22 ARG 12 HH22 ARG 12 -9.988 19.043 2.884 104 H GLN 13 HN GLN 13 -0.436 17.821 4.807 105 HA GLN 13 HA GLN 13 0.922 20.048 5.832 106 HB2 GLN 13 HB2 GLN 13 0.535 17.962 7.120 107 HB3 GLN 13 HB1 GLN 13 1.616 17.080 6.056 108 HG2 GLN 13 HG2 GLN 13 2.736 17.539 8.154 109 HG3 GLN 13 HG1 GLN 13 3.517 18.460 6.869 110 HE21 GLN 13 HE21 GLN 13 1.481 18.647 9.708 111 HE22 GLN 13 HE22 GLN 13 1.659 20.344 9.974 112 H VAL 14 HN VAL 14 2.065 17.434 3.696 113 HA VAL 14 HA VAL 14 4.712 18.163 3.292 114 HB VAL 14 HB VAL 14 2.776 16.780 1.385 115 HG11 VAL 14 HG11 VAL 14 4.601 17.685 0.014 116 HG12 VAL 14 HG12 VAL 14 4.787 15.937 0.149 117 HG13 VAL 14 HG13 VAL 14 5.808 17.007 1.112 118 HG21 VAL 14 HG21 VAL 14 4.905 15.633 3.235 119 HG22 VAL 14 HG22 VAL 14 3.872 14.695 2.154 120 HG23 VAL 14 HG23 VAL 14 3.162 15.581 3.505 121 H PHE 15 HN PHE 15 1.874 19.136 1.328 122 HA PHE 15 HA PHE 15 3.574 20.779 -0.421 123 HB2 PHE 15 HB2 PHE 15 0.604 20.064 -0.629 124 HB3 PHE 15 HB1 PHE 15 1.520 20.963 -1.840 125 HD1 PHE 15 HD2 PHE 15 3.578 19.825 -2.885 126 HD2 PHE 15 HD1 PHE 15 0.594 17.672 -0.716 127 HE1 PHE 15 HE2 PHE 15 4.355 17.722 -3.879 128 HE2 PHE 15 HE1 PHE 15 1.394 15.572 -1.698 129 HZ PHE 15 HZ PHE 15 3.276 15.596 -3.278 130 H ASP 16 HN ASP 16 2.260 21.390 2.488 131 HA ASP 16 HA ASP 16 1.425 23.114 3.682 132 HB2 ASP 16 HB2 ASP 16 3.573 24.118 2.807 133 HB3 ASP 16 HB1 ASP 16 2.664 24.856 1.496 134 H ASP 17 HN ASP 17 -0.268 21.916 1.578 135 HA ASP 17 HA ASP 17 -1.899 24.144 0.529 136 HB2 ASP 17 HB2 ASP 17 -0.765 22.334 -0.974 137 HB3 ASP 17 HB1 ASP 17 -1.995 21.228 -0.378 138 H ASP 18 HN ASP 18 -4.309 23.407 0.228 139 HA ASP 18 HA ASP 18 -5.382 21.901 2.523 140 HB2 ASP 18 HB2 ASP 18 -5.142 24.234 3.328 141 HB3 ASP 18 HB1 ASP 18 -6.067 24.818 1.947 142 H SER 19 HN SER 19 -5.637 23.160 -0.669 143 HA SER 19 HA SER 19 -8.438 22.578 -1.146 144 HB2 SER 19 HB2 SER 19 -6.187 23.252 -3.098 145 HB3 SER 19 HB1 SER 19 -7.903 23.158 -3.515 146 HG SER 19 HG SER 19 -7.167 24.786 -1.374 147 H ILE 20 HN ILE 20 -5.451 20.817 -1.179 148 HA ILE 20 HA ILE 20 -6.188 18.663 -2.902 149 HB ILE 20 HB ILE 20 -4.147 18.799 -0.626 150 HG12 ILE 20 HG12 ILE 20 -3.787 18.907 -3.664 151 HG13 ILE 20 HG11 ILE 20 -3.604 20.264 -2.562 152 HG21 ILE 20 HG21 ILE 20 -4.512 16.553 -2.655 153 HG22 ILE 20 HG22 ILE 20 -4.841 16.452 -0.925 154 HG23 ILE 20 HG23 ILE 20 -3.188 16.680 -1.490 155 HD11 ILE 20 HD11 ILE 20 -1.840 17.816 -2.684 156 HD12 ILE 20 HD12 ILE 20 -1.642 19.162 -1.557 157 HD13 ILE 20 HD13 ILE 20 -1.454 19.424 -3.291 158 H VAL 21 HN VAL 21 -8.032 17.633 -2.508 159 HA VAL 21 HA VAL 21 -8.565 16.462 0.164 160 HB VAL 21 HB VAL 21 -10.629 17.170 -1.990 161 HG11 VAL 21 HG11 VAL 21 -11.058 16.013 0.796 162 HG12 VAL 21 HG12 VAL 21 -11.277 15.153 -0.728 163 HG13 VAL 21 HG13 VAL 21 -12.338 16.500 -0.320 164 HG21 VAL 21 HG21 VAL 21 -9.796 19.204 -0.868 165 HG22 VAL 21 HG22 VAL 21 -10.171 18.502 0.708 166 HG23 VAL 21 HG23 VAL 21 -11.474 18.882 -0.421 167 H LEU 22 HN LEU 22 -8.059 14.323 0.073 168 HA LEU 22 HA LEU 22 -7.333 13.148 -2.433 169 HB2 LEU 22 HB2 LEU 22 -7.414 11.915 0.333 170 HB3 LEU 22 HB1 LEU 22 -6.694 11.170 -1.092 171 HG LEU 22 HG LEU 22 -5.724 13.681 0.337 172 HD11 LEU 22 HD11 LEU 22 -5.202 11.561 1.445 173 HD12 LEU 22 HD12 LEU 22 -3.756 12.368 0.848 174 HD13 LEU 22 HD13 LEU 22 -4.413 10.985 -0.022 175 HD21 LEU 22 HD21 LEU 22 -4.625 12.432 -2.206 176 HD22 LEU 22 HD22 LEU 22 -3.843 13.713 -1.277 177 HD23 LEU 22 HD23 LEU 22 -5.391 14.015 -2.059 178 H THR 23 HN THR 23 -8.197 11.558 -3.504 179 HA THR 23 HA THR 23 -10.700 10.250 -2.760 180 HB THR 23 HB THR 23 -10.437 11.366 -5.582 181 HG1 THR 23 HG1 THR 23 -10.110 13.141 -4.066 182 HG21 THR 23 HG21 THR 23 -12.860 10.913 -3.797 183 HG22 THR 23 HG22 THR 23 -12.303 9.815 -5.061 184 HG23 THR 23 HG23 THR 23 -12.901 11.419 -5.493 185 H ARG 24 HN ARG 24 -11.077 8.485 -4.576 186 HA ARG 24 HA ARG 24 -8.980 6.665 -4.458 187 HB2 ARG 24 HB2 ARG 24 -10.362 5.226 -5.855 188 HB3 ARG 24 HB1 ARG 24 -11.391 6.119 -4.738 189 HG2 ARG 24 HG2 ARG 24 -11.968 7.712 -6.542 190 HG3 ARG 24 HG1 ARG 24 -10.960 6.796 -7.662 191 HD2 ARG 24 HD2 ARG 24 -12.469 4.795 -7.203 192 HD3 ARG 24 HD1 ARG 24 -13.537 5.907 -6.334 193 HE ARG 24 HE ARG 24 -12.790 6.346 -9.162 194 HH11 ARG 24 HH11 ARG 24 -15.344 6.104 -6.755 195 HH12 ARG 24 HH12 ARG 24 -16.599 6.452 -7.899 196 HH21 ARG 24 HH21 ARG 24 -14.444 6.782 -10.632 197 HH22 ARG 24 HH22 ARG 24 -16.095 6.815 -10.091 198 H GLU 25 HN GLU 25 -9.572 9.071 -6.993 199 HA GLU 25 HA GLU 25 -7.304 7.945 -8.556 200 HB2 GLU 25 HB2 GLU 25 -8.259 8.768 -10.618 201 HB3 GLU 25 HB1 GLU 25 -9.448 7.768 -9.795 202 HG2 GLU 25 HG2 GLU 25 -9.462 10.808 -9.729 203 HG3 GLU 25 HG1 GLU 25 -10.342 9.849 -10.921 204 H THR 26 HN THR 26 -7.881 10.416 -6.465 205 HA THR 26 HA THR 26 -6.536 12.606 -7.592 206 HB THR 26 HB THR 26 -6.299 11.581 -4.719 207 HG1 THR 26 HG1 THR 26 -8.194 13.279 -5.988 208 HG21 THR 26 HG21 THR 26 -5.851 14.384 -5.843 209 HG22 THR 26 HG22 THR 26 -4.593 13.308 -5.218 210 HG23 THR 26 HG23 THR 26 -5.829 13.950 -4.133 211 H SER 27 HN SER 27 -4.349 13.009 -7.976 212 HA SER 27 HA SER 27 -2.273 11.107 -7.275 213 HB2 SER 27 HB2 SER 27 -1.712 10.521 -9.623 214 HB3 SER 27 HB1 SER 27 -3.347 9.994 -9.221 215 HG SER 27 HG SER 27 -3.986 11.136 -10.846 216 H ALA 28 HN ALA 28 -0.218 11.693 -8.523 217 HA ALA 28 HA ALA 28 0.421 14.428 -8.081 218 HB1 ALA 28 HB1 ALA 28 2.047 12.203 -9.316 219 HB2 ALA 28 HB2 ALA 28 1.993 12.634 -7.607 220 HB3 ALA 28 HB3 ALA 28 2.677 13.761 -8.778 221 H ASN 29 HN ASN 29 -0.947 12.862 -10.757 222 HA ASN 29 HA ASN 29 -0.004 14.843 -12.726 223 HB2 ASN 29 HB2 ASN 29 -0.128 12.406 -13.350 224 HB3 ASN 29 HB1 ASN 29 -1.859 12.426 -13.044 225 HD21 ASN 29 HD21 ASN 29 0.693 13.442 -15.197 226 HD22 ASN 29 HD22 ASN 29 -0.331 13.874 -16.522 227 H ASP 30 HN ASP 30 -2.800 13.817 -10.848 228 HA ASP 30 HA ASP 30 -4.852 15.381 -11.959 229 HB2 ASP 30 HB2 ASP 30 -5.271 13.442 -10.519 230 HB3 ASP 30 HB1 ASP 30 -4.449 14.223 -9.178 231 H ILE 31 HN ILE 31 -2.226 16.309 -9.839 232 HA ILE 31 HA ILE 31 -3.487 18.927 -9.229 233 HB ILE 31 HB ILE 31 -1.795 17.238 -7.317 234 HG12 ILE 31 HG12 ILE 31 -4.742 18.013 -7.101 235 HG13 ILE 31 HG11 ILE 31 -4.168 16.427 -7.605 236 HG21 ILE 31 HG21 ILE 31 -2.227 19.001 -5.623 237 HG22 ILE 31 HG22 ILE 31 -3.047 19.975 -6.847 238 HG23 ILE 31 HG23 ILE 31 -1.322 19.631 -7.002 239 HD11 ILE 31 HD11 ILE 31 -3.728 17.697 -4.911 240 HD12 ILE 31 HD12 ILE 31 -3.181 16.090 -5.399 241 HD13 ILE 31 HD13 ILE 31 -4.906 16.447 -5.295 242 H ASP 32 HN ASP 32 -2.293 20.601 -9.958 243 HA ASP 32 HA ASP 32 0.260 20.366 -11.168 244 HB2 ASP 32 HB2 ASP 32 -1.307 22.843 -10.301 245 HB3 ASP 32 HB1 ASP 32 0.163 22.898 -11.275 246 H ALA 33 HN ALA 33 -0.785 21.450 -7.966 247 HA ALA 33 HA ALA 33 1.662 22.508 -7.002 248 HB1 ALA 33 HB1 ALA 33 0.641 22.323 -4.765 249 HB2 ALA 33 HB2 ALA 33 -0.628 21.279 -5.415 250 HB3 ALA 33 HB3 ALA 33 -0.518 22.963 -5.933 251 H TRP 34 HN TRP 34 0.808 19.266 -7.653 252 HA TRP 34 HA TRP 34 2.500 18.047 -5.606 253 HB2 TRP 34 HB2 TRP 34 0.171 17.189 -6.454 254 HB3 TRP 34 HB1 TRP 34 1.059 16.560 -7.832 255 HD1 TRP 34 HD1 TRP 34 3.630 15.400 -6.144 256 HE1 TRP 34 HE1 TRP 34 3.260 13.277 -4.747 257 HE3 TRP 34 HE3 TRP 34 -1.444 15.611 -5.713 258 HZ2 TRP 34 HZ2 TRP 34 1.090 11.863 -3.631 259 HZ3 TRP 34 HZ3 TRP 34 -2.610 13.823 -4.493 260 HH2 TRP 34 HH2 TRP 34 -1.361 11.987 -3.474 261 H ASP 35 HN ASP 35 4.559 17.650 -5.972 262 HA ASP 35 HA ASP 35 5.665 17.402 -8.707 263 HB2 ASP 35 HB2 ASP 35 6.689 19.344 -7.935 264 HB3 ASP 35 HB1 ASP 35 6.611 18.864 -6.247 265 H SER 36 HN SER 36 6.755 15.576 -9.218 266 HA SER 36 HA SER 36 7.020 13.221 -8.199 267 HB2 SER 36 HB2 SER 36 9.575 14.438 -9.274 268 HB3 SER 36 HB1 SER 36 8.869 12.854 -9.609 269 H LEU 37 HN LEU 37 9.650 15.562 -7.495 270 HA LEU 37 HA LEU 37 11.062 13.941 -5.684 271 HB2 LEU 37 HB2 LEU 37 11.095 16.961 -6.050 272 HB3 LEU 37 HB1 LEU 37 12.189 16.134 -4.958 273 HG LEU 37 HG LEU 37 13.405 16.618 -6.962 274 HD11 LEU 37 HD11 LEU 37 12.708 13.676 -6.991 275 HD12 LEU 37 HD12 LEU 37 13.879 14.464 -5.931 276 HD13 LEU 37 HD13 LEU 37 14.158 14.424 -7.669 277 HD21 LEU 37 HD21 LEU 37 12.754 15.912 -9.215 278 HD22 LEU 37 HD22 LEU 37 11.536 16.975 -8.514 279 HD23 LEU 37 HD23 LEU 37 11.244 15.236 -8.590 280 H SER 38 HN SER 38 8.322 16.039 -5.116 281 HA SER 38 HA SER 38 8.649 16.284 -2.259 282 HB2 SER 38 HB2 SER 38 6.224 16.816 -4.009 283 HB3 SER 38 HB1 SER 38 6.388 17.296 -2.316 284 HG SER 38 HG SER 38 8.311 18.067 -4.225 285 H HIS 39 HN HIS 39 7.251 13.869 -4.356 286 HA HIS 39 HA HIS 39 5.560 12.417 -2.712 287 HB2 HIS 39 HB2 HIS 39 7.480 11.574 -4.867 288 HB3 HIS 39 HB1 HIS 39 6.776 10.305 -3.889 289 HD2 HIS 39 HD2 HIS 39 6.119 11.576 -7.182 290 HE1 HIS 39 HE1 HIS 39 2.306 10.736 -5.562 291 HE2 HIS 39 HE2 HIS 39 3.696 10.820 -7.676 292 H MET 40 HN MET 40 9.109 12.542 -2.519 293 HA MET 40 HA MET 40 9.504 10.314 -0.844 294 HB2 MET 40 HB2 MET 40 11.192 12.831 -1.141 295 HB3 MET 40 HB1 MET 40 11.710 11.386 -0.270 296 HG2 MET 40 HG2 MET 40 11.146 11.649 -3.238 297 HG3 MET 40 HG1 MET 40 12.690 11.295 -2.453 298 HE1 MET 40 HE1 MET 40 11.971 7.622 -1.063 299 HE2 MET 40 HE2 MET 40 11.670 9.125 -0.192 300 HE3 MET 40 HE3 MET 40 13.152 8.927 -1.127 301 H ASN 41 HN ASN 41 8.616 13.628 -0.065 302 HA ASN 41 HA ASN 41 8.867 13.499 2.757 303 HB2 ASN 41 HB2 ASN 41 6.932 15.167 1.091 304 HB3 ASN 41 HB1 ASN 41 7.253 15.406 2.808 305 HD21 ASN 41 HD21 ASN 41 8.527 15.696 -0.420 306 HD22 ASN 41 HD22 ASN 41 9.827 16.759 -0.035 307 H LEU 42 HN LEU 42 6.315 12.481 0.517 308 HA LEU 42 HA LEU 42 4.309 11.928 2.456 309 HB2 LEU 42 HB2 LEU 42 4.707 10.908 -0.386 310 HB3 LEU 42 HB1 LEU 42 3.417 10.285 0.622 311 HG LEU 42 HG LEU 42 2.474 11.951 -0.822 312 HD11 LEU 42 HD11 LEU 42 2.786 13.127 1.950 313 HD12 LEU 42 HD12 LEU 42 1.617 11.895 1.462 314 HD13 LEU 42 HD13 LEU 42 1.526 13.513 0.774 315 HD21 LEU 42 HD21 LEU 42 3.229 14.258 -0.904 316 HD22 LEU 42 HD22 LEU 42 4.523 13.161 -1.386 317 HD23 LEU 42 HD23 LEU 42 4.537 13.888 0.225 318 H ILE 43 HN ILE 43 6.688 9.826 0.779 319 HA ILE 43 HA ILE 43 5.911 7.380 1.835 320 HB ILE 43 HB ILE 43 8.541 8.380 0.723 321 HG12 ILE 43 HG12 ILE 43 8.131 6.614 -1.008 322 HG13 ILE 43 HG11 ILE 43 6.672 6.129 -0.162 323 HG21 ILE 43 HG21 ILE 43 9.581 6.127 0.918 324 HG22 ILE 43 HG22 ILE 43 8.239 5.607 1.938 325 HG23 ILE 43 HG23 ILE 43 9.321 6.886 2.490 326 HD11 ILE 43 HD11 ILE 43 6.147 7.434 -2.103 327 HD12 ILE 43 HD12 ILE 43 7.162 8.760 -1.538 328 HD13 ILE 43 HD13 ILE 43 5.692 8.333 -0.655 329 H VAL 44 HN VAL 44 8.553 9.508 3.098 330 HA VAL 44 HA VAL 44 9.130 7.900 5.332 331 HB VAL 44 HB VAL 44 10.343 9.867 6.262 332 HG11 VAL 44 HG11 VAL 44 12.004 10.082 4.435 333 HG12 VAL 44 HG12 VAL 44 10.840 9.398 3.298 334 HG13 VAL 44 HG13 VAL 44 11.467 8.409 4.621 335 HG21 VAL 44 HG21 VAL 44 10.449 12.002 4.997 336 HG22 VAL 44 HG22 VAL 44 8.813 11.683 5.574 337 HG23 VAL 44 HG23 VAL 44 9.220 11.399 3.881 338 H SER 45 HN SER 45 6.754 10.511 4.932 339 HA SER 45 HA SER 45 5.982 10.708 7.681 340 HB2 SER 45 HB2 SER 45 4.490 11.501 5.147 341 HB3 SER 45 HB1 SER 45 3.957 11.906 6.782 342 HG SER 45 HG SER 45 6.502 12.601 5.748 343 H LEU 46 HN LEU 46 4.823 8.687 4.989 344 HA LEU 46 HA LEU 46 2.502 7.683 6.325 345 HB2 LEU 46 HB2 LEU 46 3.989 6.472 3.957 346 HB3 LEU 46 HB1 LEU 46 2.377 6.025 4.487 347 HG LEU 46 HG LEU 46 3.231 8.634 3.155 348 HD11 LEU 46 HD11 LEU 46 2.878 6.769 1.625 349 HD12 LEU 46 HD12 LEU 46 1.647 8.012 1.408 350 HD13 LEU 46 HD13 LEU 46 1.249 6.518 2.266 351 HD21 LEU 46 HD21 LEU 46 0.513 8.027 4.365 352 HD22 LEU 46 HD22 LEU 46 0.913 9.423 3.353 353 HD23 LEU 46 HD23 LEU 46 1.674 9.233 4.931 354 H GLU 47 HN GLU 47 5.833 6.622 5.961 355 HA GLU 47 HA GLU 47 5.735 4.046 7.074 356 HB2 GLU 47 HB2 GLU 47 8.015 6.073 7.111 357 HB3 GLU 47 HB1 GLU 47 8.194 4.359 7.474 358 HG2 GLU 47 HG2 GLU 47 7.297 5.462 4.799 359 HG3 GLU 47 HG1 GLU 47 8.955 5.032 5.193 360 H VAL 48 HN VAL 48 6.543 7.190 8.614 361 HA VAL 48 HA VAL 48 6.830 5.984 11.202 362 HB VAL 48 HB VAL 48 7.232 8.267 12.047 363 HG11 VAL 48 HG11 VAL 48 9.314 8.702 10.777 364 HG12 VAL 48 HG12 VAL 48 8.756 7.624 9.494 365 HG13 VAL 48 HG13 VAL 48 9.100 6.978 11.101 366 HG21 VAL 48 HG21 VAL 48 5.680 9.571 10.644 367 HG22 VAL 48 HG22 VAL 48 6.647 9.216 9.214 368 HG23 VAL 48 HG23 VAL 48 7.317 10.214 10.507 369 H HIS 49 HN HIS 49 4.247 8.007 9.740 370 HA HIS 49 HA HIS 49 2.725 8.363 12.131 371 HB2 HIS 49 HB2 HIS 49 2.017 8.726 9.190 372 HB3 HIS 49 HB1 HIS 49 0.800 8.933 10.444 373 HD1 HIS 49 HD1 HIS 49 0.513 11.286 11.121 374 HD2 HIS 49 HD2 HIS 49 4.372 10.580 9.780 375 HE1 HIS 49 HE1 HIS 49 1.662 13.512 11.194 376 HE2 HIS 49 HE2 HIS 49 3.992 13.071 10.359 377 H TYR 50 HN TYR 50 2.362 6.090 9.388 378 HA TYR 50 HA TYR 50 0.185 4.678 10.769 379 HB2 TYR 50 HB2 TYR 50 1.269 4.420 7.940 380 HB3 TYR 50 HB1 TYR 50 -0.040 3.430 8.586 381 HD1 TYR 50 HD2 TYR 50 0.892 6.855 7.498 382 HD2 TYR 50 HD1 TYR 50 -2.261 4.378 8.997 383 HE1 TYR 50 HE2 TYR 50 -0.754 8.605 6.970 384 HE2 TYR 50 HE1 TYR 50 -3.895 6.129 8.470 385 HH TYR 50 HH TYR 50 -3.201 8.756 6.507 386 H LYS 51 HN LYS 51 3.489 4.435 10.653 387 HA LYS 51 HA LYS 51 5.040 2.947 11.351 388 HB2 LYS 51 HB2 LYS 51 2.675 1.530 12.651 389 HB3 LYS 51 HB1 LYS 51 4.348 1.053 12.896 390 HG2 LYS 51 HG2 LYS 51 3.844 2.323 14.803 391 HG3 LYS 51 HG1 LYS 51 4.748 3.433 13.779 392 HD2 LYS 51 HD2 LYS 51 2.930 4.676 14.722 393 HD3 LYS 51 HD1 LYS 51 2.530 4.415 13.026 394 HE2 LYS 51 HE2 LYS 51 1.431 2.748 15.320 395 HE3 LYS 51 HE1 LYS 51 0.595 4.115 14.602 396 HZ1 LYS 51 HZ1 LYS 51 1.355 1.634 13.166 397 HZ2 LYS 51 HZ2 LYS 51 0.489 2.930 12.513 398 HZ3 LYS 51 HZ3 LYS 51 -0.177 2.001 13.746 399 H ILE 52 HN ILE 52 3.879 2.639 8.732 400 HA ILE 52 HA ILE 52 3.809 -0.288 8.260 401 HB ILE 52 HB ILE 52 2.775 0.265 6.070 402 HG12 ILE 52 HG12 ILE 52 2.853 3.165 7.045 403 HG13 ILE 52 HG11 ILE 52 3.752 2.510 5.680 404 HG21 ILE 52 HG21 ILE 52 1.300 1.499 8.428 405 HG22 ILE 52 HG22 ILE 52 1.356 -0.217 8.032 406 HG23 ILE 52 HG23 ILE 52 0.556 0.913 6.936 407 HD11 ILE 52 HD11 ILE 52 1.852 3.798 4.933 408 HD12 ILE 52 HD12 ILE 52 0.756 2.793 5.879 409 HD13 ILE 52 HD13 ILE 52 1.630 2.100 4.510 410 H LYS 53 HN LYS 53 4.700 -0.684 5.835 411 HA LYS 53 HA LYS 53 7.173 0.790 5.360 412 HB2 LYS 53 HB2 LYS 53 7.711 -0.945 7.097 413 HB3 LYS 53 HB1 LYS 53 7.251 -2.198 5.946 414 HG2 LYS 53 HG2 LYS 53 9.089 -1.635 4.483 415 HG3 LYS 53 HG1 LYS 53 9.459 -0.178 5.418 416 HD2 LYS 53 HD2 LYS 53 10.105 -1.569 7.352 417 HD3 LYS 53 HD1 LYS 53 9.691 -3.032 6.459 418 HE2 LYS 53 HE2 LYS 53 11.487 -2.565 4.842 419 HE3 LYS 53 HE1 LYS 53 11.879 -1.069 5.693 420 HZ1 LYS 53 HZ1 LYS 53 13.364 -2.874 6.300 421 HZ2 LYS 53 HZ2 LYS 53 12.059 -3.795 6.851 422 HZ3 LYS 53 HZ3 LYS 53 12.465 -2.354 7.633 423 H PHE 54 HN PHE 54 6.783 1.322 3.313 424 HA PHE 54 HA PHE 54 5.858 -0.593 1.309 425 HB2 PHE 54 HB2 PHE 54 6.891 2.270 0.938 426 HB3 PHE 54 HB1 PHE 54 6.189 1.268 -0.321 427 HD1 PHE 54 HD2 PHE 54 3.726 0.758 -0.313 428 HD2 PHE 54 HD1 PHE 54 5.483 3.459 2.515 429 HE1 PHE 54 HE2 PHE 54 1.516 1.700 0.191 430 HE2 PHE 54 HE1 PHE 54 3.260 4.378 2.999 431 HZ PHE 54 HZ PHE 54 1.280 3.501 1.839 432 H ALA 55 HN ALA 55 7.138 -1.670 -0.076 433 HA ALA 55 HA ALA 55 10.036 -1.205 -0.230 434 HB1 ALA 55 HB1 ALA 55 10.027 -3.174 -1.747 435 HB2 ALA 55 HB2 ALA 55 8.264 -3.253 -1.648 436 HB3 ALA 55 HB3 ALA 55 9.243 -3.558 -0.211 437 H LEU 56 HN LEU 56 10.966 -0.693 -2.400 438 HA LEU 56 HA LEU 56 9.627 1.346 -3.824 439 HB2 LEU 56 HB2 LEU 56 12.220 0.549 -3.679 440 HB3 LEU 56 HB1 LEU 56 11.824 -0.235 -5.191 441 HG LEU 56 HG LEU 56 12.923 1.974 -5.502 442 HD11 LEU 56 HD11 LEU 56 10.080 1.987 -6.538 443 HD12 LEU 56 HD12 LEU 56 11.461 1.187 -7.288 444 HD13 LEU 56 HD13 LEU 56 11.428 2.944 -7.166 445 HD21 LEU 56 HD21 LEU 56 11.777 4.061 -4.933 446 HD22 LEU 56 HD22 LEU 56 12.096 3.095 -3.494 447 HD23 LEU 56 HD23 LEU 56 10.465 3.153 -4.174 448 H GLY 57 HN GLY 57 9.633 -2.156 -4.237 449 HA2 GLY 57 HA2 GLY 57 8.428 -2.387 -6.779 450 HA3 GLY 57 HA1 GLY 57 8.290 -3.553 -5.468 451 H GLU 58 HN GLU 58 7.024 -1.765 -3.574 452 HA GLU 58 HA GLU 58 4.263 -1.895 -4.326 453 HB2 GLU 58 HB2 GLU 58 5.487 -0.274 -2.043 454 HB3 GLU 58 HB1 GLU 58 3.812 -0.809 -2.172 455 HG2 GLU 58 HG2 GLU 58 6.171 -2.707 -1.933 456 HG3 GLU 58 HG1 GLU 58 5.287 -2.082 -0.546 457 H LEU 59 HN LEU 59 6.676 0.690 -4.065 458 HA LEU 59 HA LEU 59 5.193 2.963 -4.650 459 HB2 LEU 59 HB2 LEU 59 8.085 2.203 -4.958 460 HB3 LEU 59 HB1 LEU 59 7.565 3.654 -5.778 461 HG LEU 59 HG LEU 59 8.619 4.072 -3.546 462 HD11 LEU 59 HD11 LEU 59 7.120 5.700 -4.555 463 HD12 LEU 59 HD12 LEU 59 6.991 5.712 -2.800 464 HD13 LEU 59 HD13 LEU 59 5.734 4.941 -3.769 465 HD21 LEU 59 HD21 LEU 59 7.407 3.613 -1.485 466 HD22 LEU 59 HD22 LEU 59 7.758 2.106 -2.329 467 HD23 LEU 59 HD23 LEU 59 6.125 2.786 -2.379 468 H GLN 60 HN GLN 60 6.848 0.774 -6.901 469 HA GLN 60 HA GLN 60 6.323 1.960 -9.341 470 HB2 GLN 60 HB2 GLN 60 6.404 -1.017 -8.692 471 HB3 GLN 60 HB1 GLN 60 6.567 -0.341 -10.308 472 HG2 GLN 60 HG2 GLN 60 8.498 0.225 -8.042 473 HG3 GLN 60 HG1 GLN 60 8.705 -1.071 -9.212 474 HE21 GLN 60 HE21 GLN 60 10.699 -0.156 -9.799 475 HE22 GLN 60 HE22 GLN 60 10.796 1.235 -10.816 476 H LYS 61 HN LYS 61 4.073 0.296 -7.281 477 HA LYS 61 HA LYS 61 2.075 -0.077 -9.412 478 HB2 LYS 61 HB2 LYS 61 1.934 -1.022 -6.519 479 HB3 LYS 61 HB1 LYS 61 0.940 -1.565 -7.871 480 HG2 LYS 61 HG2 LYS 61 3.899 -2.091 -7.447 481 HG3 LYS 61 HG1 LYS 61 2.586 -3.269 -7.348 482 HD2 LYS 61 HD2 LYS 61 2.193 -3.112 -9.755 483 HD3 LYS 61 HD1 LYS 61 3.328 -1.765 -9.904 484 HE2 LYS 61 HE2 LYS 61 4.363 -3.827 -10.707 485 HE3 LYS 61 HE1 LYS 61 5.181 -3.280 -9.246 486 HZ1 LYS 61 HZ1 LYS 61 3.126 -5.411 -9.369 487 HZ2 LYS 61 HZ2 LYS 61 3.945 -4.906 -7.982 488 HZ3 LYS 61 HZ3 LYS 61 4.790 -5.657 -9.236 489 H LEU 62 HN LEU 62 2.875 2.275 -7.145 490 HA LEU 62 HA LEU 62 0.176 3.077 -6.369 491 HB2 LEU 62 HB2 LEU 62 2.842 4.485 -5.886 492 HB3 LEU 62 HB1 LEU 62 1.305 4.916 -5.147 493 HG LEU 62 HG LEU 62 2.830 2.327 -4.669 494 HD11 LEU 62 HD11 LEU 62 4.001 4.206 -3.684 495 HD12 LEU 62 HD12 LEU 62 3.297 3.194 -2.428 496 HD13 LEU 62 HD13 LEU 62 2.533 4.732 -2.849 497 HD21 LEU 62 HD21 LEU 62 1.217 1.883 -2.867 498 HD22 LEU 62 HD22 LEU 62 0.430 1.953 -4.440 499 HD23 LEU 62 HD23 LEU 62 0.290 3.317 -3.327 500 H LYS 63 HN LYS 63 -0.777 3.591 -8.411 501 HA LYS 63 HA LYS 63 0.428 5.632 -10.136 502 HB2 LYS 63 HB2 LYS 63 -0.704 3.690 -11.165 503 HB3 LYS 63 HB1 LYS 63 -2.216 4.120 -10.372 504 HG2 LYS 63 HG2 LYS 63 -2.306 6.211 -11.683 505 HG3 LYS 63 HG1 LYS 63 -0.783 5.791 -12.469 506 HD2 LYS 63 HD2 LYS 63 -3.291 4.070 -12.665 507 HD3 LYS 63 HD1 LYS 63 -2.913 5.357 -13.808 508 HE2 LYS 63 HE2 LYS 63 -2.212 3.269 -14.786 509 HE3 LYS 63 HE1 LYS 63 -0.764 4.171 -14.352 510 HZ1 LYS 63 HZ1 LYS 63 -1.933 1.976 -12.724 511 HZ2 LYS 63 HZ2 LYS 63 -0.464 2.770 -12.445 512 HZ3 LYS 63 HZ3 LYS 63 -0.653 1.795 -13.810 513 H ASN 64 HN ASN 64 -2.166 5.280 -7.806 514 HA ASN 64 HA ASN 64 -2.543 8.194 -7.647 515 HB2 ASN 64 HB2 ASN 64 -4.936 6.270 -7.723 516 HB3 ASN 64 HB1 ASN 64 -4.999 8.019 -7.587 517 HD21 ASN 64 HD21 ASN 64 -4.445 5.330 -9.757 518 HD22 ASN 64 HD22 ASN 64 -4.625 6.226 -11.226 519 H VAL 65 HN VAL 65 -4.007 8.618 -5.681 520 HA VAL 65 HA VAL 65 -2.928 7.483 -3.314 521 HB VAL 65 HB VAL 65 -5.368 9.293 -3.644 522 HG11 VAL 65 HG11 VAL 65 -5.026 9.940 -1.295 523 HG12 VAL 65 HG12 VAL 65 -3.679 8.808 -1.158 524 HG13 VAL 65 HG13 VAL 65 -5.317 8.207 -1.415 525 HG21 VAL 65 HG21 VAL 65 -3.337 10.307 -4.620 526 HG22 VAL 65 HG22 VAL 65 -2.466 10.043 -3.108 527 HG23 VAL 65 HG23 VAL 65 -3.824 11.166 -3.157 528 H GLY 66 HN GLY 66 -5.586 6.517 -5.336 529 HA2 GLY 66 HA2 GLY 66 -7.109 5.014 -3.444 530 HA3 GLY 66 HA1 GLY 66 -7.063 4.756 -5.188 531 H ASP 67 HN ASP 67 -4.320 4.267 -5.546 532 HA ASP 67 HA ASP 67 -3.927 1.580 -4.785 533 HB2 ASP 67 HB2 ASP 67 -1.888 3.646 -5.719 534 HB3 ASP 67 HB1 ASP 67 -1.554 1.923 -5.569 535 H LEU 68 HN LEU 68 -2.599 4.640 -3.404 536 HA LEU 68 HA LEU 68 -1.131 3.533 -1.290 537 HB2 LEU 68 HB2 LEU 68 -2.542 6.195 -1.591 538 HB3 LEU 68 HB1 LEU 68 -1.898 5.758 -0.025 539 HG LEU 68 HG LEU 68 -0.292 7.157 -1.054 540 HD11 LEU 68 HD11 LEU 68 1.713 5.759 -1.158 541 HD12 LEU 68 HD12 LEU 68 0.711 4.312 -1.265 542 HD13 LEU 68 HD13 LEU 68 0.667 5.312 0.189 543 HD21 LEU 68 HD21 LEU 68 -1.022 6.989 -3.391 544 HD22 LEU 68 HD22 LEU 68 -0.336 5.368 -3.509 545 HD23 LEU 68 HD23 LEU 68 0.721 6.761 -3.260 546 H ALA 69 HN ALA 69 -4.600 4.336 -1.481 547 HA ALA 69 HA ALA 69 -5.302 3.840 1.182 548 HB1 ALA 69 HB1 ALA 69 -7.619 3.654 0.368 549 HB2 ALA 69 HB2 ALA 69 -7.025 3.536 -1.292 550 HB3 ALA 69 HB3 ALA 69 -6.781 5.020 -0.371 551 H ASP 70 HN ASP 70 -5.018 1.673 -1.600 552 HA ASP 70 HA ASP 70 -5.984 -0.697 -0.392 553 HB2 ASP 70 HB2 ASP 70 -5.715 -0.486 -2.852 554 HB3 ASP 70 HB1 ASP 70 -3.968 -0.385 -2.659 555 H LEU 71 HN LEU 71 -2.588 0.421 -0.922 556 HA LEU 71 HA LEU 71 -1.460 -1.889 0.312 557 HB2 LEU 71 HB2 LEU 71 -0.262 0.714 -0.644 558 HB3 LEU 71 HB1 LEU 71 0.709 -0.350 0.345 559 HG LEU 71 HG LEU 71 1.330 -0.823 -1.888 560 HD11 LEU 71 HD11 LEU 71 1.070 -2.830 -0.517 561 HD12 LEU 71 HD12 LEU 71 0.759 -3.164 -2.218 562 HD13 LEU 71 HD13 LEU 71 -0.592 -3.025 -1.090 563 HD21 LEU 71 HD21 LEU 71 -1.597 -1.087 -2.635 564 HD22 LEU 71 HD22 LEU 71 -0.220 -1.390 -3.703 565 HD23 LEU 71 HD23 LEU 71 -0.504 0.231 -3.075 566 H VAL 72 HN VAL 72 -1.813 1.474 1.518 567 HA VAL 72 HA VAL 72 -0.743 1.189 4.057 568 HB VAL 72 HB VAL 72 -3.110 2.941 3.228 569 HG11 VAL 72 HG11 VAL 72 -2.552 4.355 5.199 570 HG12 VAL 72 HG12 VAL 72 -1.346 3.166 5.696 571 HG13 VAL 72 HG13 VAL 72 -3.055 2.729 5.670 572 HG21 VAL 72 HG21 VAL 72 -1.085 3.434 1.896 573 HG22 VAL 72 HG22 VAL 72 -0.149 3.650 3.375 574 HG23 VAL 72 HG23 VAL 72 -1.453 4.776 2.985 575 H ASP 73 HN ASP 73 -4.088 0.510 2.933 576 HA ASP 73 HA ASP 73 -5.240 -0.340 5.369 577 HB2 ASP 73 HB2 ASP 73 -6.694 0.113 3.524 578 HB3 ASP 73 HB1 ASP 73 -5.829 -0.985 2.464 579 H LYS 74 HN LYS 74 -3.428 -2.141 2.949 580 HA LYS 74 HA LYS 74 -3.883 -4.779 3.993 581 HB2 LYS 74 HB2 LYS 74 -1.594 -3.870 2.192 582 HB3 LYS 74 HB1 LYS 74 -2.057 -5.543 2.498 583 HG2 LYS 74 HG2 LYS 74 -3.669 -3.440 1.041 584 HG3 LYS 74 HG1 LYS 74 -2.901 -4.860 0.334 585 HD2 LYS 74 HD2 LYS 74 -4.471 -6.339 1.439 586 HD3 LYS 74 HD1 LYS 74 -5.113 -5.023 2.421 587 HE2 LYS 74 HE2 LYS 74 -5.394 -5.275 -0.590 588 HE3 LYS 74 HE1 LYS 74 -6.657 -5.585 0.606 589 HZ1 LYS 74 HZ1 LYS 74 -6.600 -3.310 1.271 590 HZ2 LYS 74 HZ2 LYS 74 -6.788 -3.364 -0.409 591 HZ3 LYS 74 HZ3 LYS 74 -5.287 -2.983 0.264 592 H LYS 75 HN LYS 75 -1.351 -2.394 4.481 593 HA LYS 75 HA LYS 75 0.343 -4.118 6.073 594 HB2 LYS 75 HB2 LYS 75 0.474 -1.125 5.478 595 HB3 LYS 75 HB1 LYS 75 1.750 -2.065 6.251 596 HG2 LYS 75 HG2 LYS 75 2.075 -3.388 4.231 597 HG3 LYS 75 HG1 LYS 75 0.711 -2.590 3.447 598 HD2 LYS 75 HD2 LYS 75 1.967 -0.425 3.551 599 HD3 LYS 75 HD1 LYS 75 3.342 -1.286 4.259 600 HE2 LYS 75 HE2 LYS 75 2.160 -1.792 1.494 601 HE3 LYS 75 HE1 LYS 75 3.657 -0.925 1.836 602 HZ1 LYS 75 HZ1 LYS 75 4.616 -2.929 2.720 603 HZ2 LYS 75 HZ2 LYS 75 4.029 -3.236 1.162 604 HZ3 LYS 75 HZ3 LYS 75 3.165 -3.775 2.510 605 H LEU 76 HN LEU 76 -2.174 -1.724 6.643 606 HA LEU 76 HA LEU 76 -1.845 -1.671 9.531 607 HB2 LEU 76 HB2 LEU 76 -4.051 -0.648 7.708 608 HB3 LEU 76 HB1 LEU 76 -4.115 -0.502 9.457 609 HG LEU 76 HG LEU 76 -2.048 0.809 7.644 610 HD11 LEU 76 HD11 LEU 76 -3.127 2.924 8.262 611 HD12 LEU 76 HD12 LEU 76 -4.349 2.050 9.190 612 HD13 LEU 76 HD13 LEU 76 -4.253 1.847 7.437 613 HD21 LEU 76 HD21 LEU 76 -2.363 1.038 10.661 614 HD22 LEU 76 HD22 LEU 76 -1.245 1.970 9.663 615 HD23 LEU 76 HD23 LEU 76 -1.046 0.228 9.808 616 H ALA 77 HN ALA 77 -3.582 -3.611 7.201 617 HA ALA 77 HA ALA 77 -5.154 -5.119 9.041 618 HB1 ALA 77 HB1 ALA 77 -5.270 -6.841 7.275 619 HB2 ALA 77 HB2 ALA 77 -3.983 -6.024 6.383 620 HB3 ALA 77 HB3 ALA 77 -5.542 -5.232 6.608 621 H ARG 78 HN ARG 78 -1.806 -5.326 7.958 622 HA ARG 78 HA ARG 78 -1.171 -7.716 9.447 623 HB2 ARG 78 HB2 ARG 78 0.592 -5.637 8.086 624 HB3 ARG 78 HB1 ARG 78 1.221 -7.095 8.860 625 HG2 ARG 78 HG2 ARG 78 -0.718 -7.041 6.515 626 HG3 ARG 78 HG1 ARG 78 1.012 -7.389 6.418 627 HD2 ARG 78 HD2 ARG 78 0.719 -9.391 7.793 628 HD3 ARG 78 HD1 ARG 78 -0.992 -9.021 8.020 629 HE ARG 78 HE ARG 78 -0.274 -9.300 5.252 630 HH11 ARG 78 HH11 ARG 78 -1.196 -11.103 8.118 631 HH12 ARG 78 HH12 ARG 78 -1.746 -12.476 7.221 632 HH21 ARG 78 HH21 ARG 78 -1.057 -11.074 4.093 633 HH22 ARG 78 HH22 ARG 78 -1.694 -12.456 4.928 634 H LYS 79 HN LYS 79 -1.149 -4.277 10.157 635 HA LYS 79 HA LYS 79 0.386 -4.585 12.625 636 HB2 LYS 79 HB2 LYS 79 -0.912 -2.194 11.251 637 HB3 LYS 79 HB1 LYS 79 -0.327 -2.069 12.907 638 HG2 LYS 79 HG2 LYS 79 1.363 -2.769 10.476 639 HG3 LYS 79 HG1 LYS 79 1.344 -1.216 11.324 640 HD2 LYS 79 HD2 LYS 79 2.089 -2.471 13.417 641 HD3 LYS 79 HD1 LYS 79 2.315 -3.895 12.400 642 HE2 LYS 79 HE2 LYS 79 3.749 -1.244 12.071 643 HE3 LYS 79 HE1 LYS 79 4.432 -2.694 12.804 644 HZ1 LYS 79 HZ1 LYS 79 5.205 -2.601 10.600 645 HZ2 LYS 79 HZ2 LYS 79 3.675 -2.264 9.981 646 HZ3 LYS 79 HZ3 LYS 79 4.009 -3.797 10.601 647 H LEU 80 HN LEU 80 -2.875 -3.453 11.829 648 HA LEU 80 HA LEU 80 -4.903 -3.571 12.707 649 HB2 LEU 80 HB2 LEU 80 -3.687 -5.689 14.499 650 HB3 LEU 80 HB1 LEU 80 -5.375 -5.226 14.595 651 HG LEU 80 HG LEU 80 -4.039 -6.413 12.136 652 HD11 LEU 80 HD11 LEU 80 -4.190 -8.069 13.933 653 HD12 LEU 80 HD12 LEU 80 -5.299 -8.459 12.621 654 HD13 LEU 80 HD13 LEU 80 -5.919 -7.746 14.115 655 HD21 LEU 80 HD21 LEU 80 -6.327 -6.626 11.229 656 HD22 LEU 80 HD22 LEU 80 -5.896 -4.942 11.514 657 HD23 LEU 80 HD23 LEU 80 -6.973 -5.777 12.640 658 H GLU 81 HN GLU 81 -2.302 -2.315 14.343 659 HA GLU 81 HA GLU 81 -1.927 -0.850 16.015 660 HB2 GLU 81 HB2 GLU 81 -4.898 -0.214 15.874 661 HB3 GLU 81 HB1 GLU 81 -3.622 0.850 16.458 662 HG2 GLU 81 HG2 GLU 81 -4.038 -0.079 13.602 663 HG3 GLU 81 HG1 GLU 81 -4.411 1.521 14.244 664 H HIS 82 HN HIS 82 -5.224 -1.384 17.111 665 HA HIS 82 HA HIS 82 -4.370 -3.171 19.304 666 HB2 HIS 82 HB2 HIS 82 -6.695 -1.183 19.249 667 HB3 HIS 82 HB1 HIS 82 -6.340 -2.299 20.565 668 HD1 HIS 82 HD1 HIS 82 -4.836 -1.464 22.356 669 HD2 HIS 82 HD2 HIS 82 -4.612 0.878 18.930 670 HE1 HIS 82 HE1 HIS 82 -3.423 0.511 22.985 671 HE2 HIS 82 HE2 HIS 82 -3.316 1.925 20.905 672 H HIS 83 HN HIS 83 -4.966 -5.131 18.698 673 HA HIS 83 HA HIS 83 -6.209 -5.823 16.337 674 HB2 HIS 83 HB2 HIS 83 -5.690 -7.439 18.862 675 HB3 HIS 83 HB1 HIS 83 -6.434 -8.176 17.449 676 HD1 HIS 83 HD1 HIS 83 -4.605 -9.708 16.768 677 HD2 HIS 83 HD2 HIS 83 -3.291 -5.798 17.270 678 HE1 HIS 83 HE1 HIS 83 -2.255 -9.671 15.889 679 HE2 HIS 83 HE2 HIS 83 -1.464 -7.304 16.229 680 H HIS 84 HN HIS 84 -7.631 -6.098 19.619 681 HA HIS 84 HA HIS 84 -9.745 -6.386 20.397 682 HB2 HIS 84 HB2 HIS 84 -10.430 -4.807 17.876 683 HB3 HIS 84 HB1 HIS 84 -11.602 -5.178 19.129 684 HD1 HIS 84 HD1 HIS 84 -9.386 -2.574 18.100 685 HD2 HIS 84 HD2 HIS 84 -10.669 -4.048 21.764 686 HE1 HIS 84 HE1 HIS 84 -9.026 -0.710 19.738 687 HE2 HIS 84 HE2 HIS 84 -9.617 -1.702 21.973 688 H HIS 85 HN HIS 85 -12.202 -6.876 18.949 689 HA HIS 85 HA HIS 85 -13.455 -8.320 17.806 690 HB2 HIS 85 HB2 HIS 85 -11.766 -7.980 15.931 691 HB3 HIS 85 HB1 HIS 85 -10.952 -9.439 16.467 692 HD1 HIS 85 HD1 HIS 85 -11.754 -9.600 13.700 693 HD2 HIS 85 HD2 HIS 85 -14.493 -10.474 16.696 694 HE1 HIS 85 HE1 HIS 85 -13.520 -10.996 12.606 695 HE2 HIS 85 HE2 HIS 85 -15.273 -11.298 14.377 696 H HIS 86 HN HIS 86 -10.558 -10.417 18.211 697 HA HIS 86 HA HIS 86 -11.788 -11.784 20.504 698 HB2 HIS 86 HB2 HIS 86 -10.940 -13.207 17.945 699 HB3 HIS 86 HB1 HIS 86 -11.158 -14.044 19.476 700 HD1 HIS 86 HD1 HIS 86 -12.912 -13.675 16.481 701 HD2 HIS 86 HD2 HIS 86 -14.018 -13.259 20.466 702 HE1 HIS 86 HE1 HIS 86 -15.407 -13.954 16.520 703 HE2 HIS 86 HE2 HIS 86 -16.012 -13.899 18.957 704 H HIS 87 HN HIS 87 -8.982 -12.385 18.340 705 HA HIS 87 HA HIS 87 -7.090 -11.615 20.446 706 HB2 HIS 87 HB2 HIS 87 -7.374 -13.998 20.898 707 HB3 HIS 87 HB1 HIS 87 -7.149 -14.399 19.200 708 HD1 HIS 87 HD1 HIS 87 -4.743 -14.512 18.309 709 HD2 HIS 87 HD2 HIS 87 -4.950 -13.417 22.310 710 HE1 HIS 87 HE1 HIS 87 -2.382 -14.633 19.159 711 HE2 HIS 87 HE2 HIS 87 -2.565 -14.150 21.626 712 H282 PNS 88 H282 PNS 88 5.586 13.458 -11.212 713 H281 PNS 88 H281 PNS 88 5.465 12.996 -12.917 714 H303 PNS 88 H303 PNS 88 3.155 11.996 -12.362 715 H302 PNS 88 H302 PNS 88 3.013 10.871 -11.013 716 H301 PNS 88 H301 PNS 88 3.430 12.556 -10.706 717 H313 PNS 88 H313 PNS 88 5.502 11.686 -9.402 718 H312 PNS 88 H312 PNS 88 5.107 10.018 -9.810 719 H311 PNS 88 H311 PNS 88 6.689 10.669 -10.233 720 H32 PNS 88 H32 PNS 88 4.821 10.532 -13.554 721 H33 PNS 88 H33 PNS 88 7.095 9.463 -12.252 722 H36 PNS 88 H36 PNS 88 2.837 9.547 -12.236 723 H372 PNS 88 H372 PNS 88 1.629 7.728 -11.693 724 H371 PNS 88 H371 PNS 88 2.943 6.749 -12.352 725 H382 PNS 88 H382 PNS 88 2.596 6.181 -10.015 726 H381 PNS 88 H381 PNS 88 4.155 6.962 -10.234 727 H41 PNS 88 H41 PNS 88 0.801 8.054 -9.645 728 H422 PNS 88 H422 PNS 88 1.653 10.119 -7.740 729 H421 PNS 88 H421 PNS 88 0.043 9.900 -8.431 730 H431 PNS 88 H431 PNS 88 -0.247 7.875 -6.994 731 H432 PNS 88 H432 PNS 88 -0.065 9.360 -6.073 732 H44 PNS 88 H44 PNS 88 2.563 7.248 -6.668 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -13.399 1.967 4.888 2 H2 MET 1 HT2 MET 1 -14.177 2.652 6.223 3 H3 MET 1 HT3 MET 1 -13.714 1.030 6.264 4 HA MET 1 HA MET 1 -12.243 2.366 7.571 5 HB2 MET 1 HB2 MET 1 -11.042 1.225 5.008 6 HB3 MET 1 HB1 MET 1 -10.065 1.743 6.380 7 HG2 MET 1 HG2 MET 1 -10.377 -0.668 6.426 8 HG3 MET 1 HG1 MET 1 -11.181 0.077 7.811 9 HE1 MET 1 HE1 MET 1 -12.749 -1.970 8.370 10 HE2 MET 1 HE2 MET 1 -11.863 -2.878 7.143 11 HE3 MET 1 HE3 MET 1 -13.626 -2.881 7.141 12 HA PRO 2 HA PRO 2 -11.743 6.520 6.114 13 HB2 PRO 2 HB2 PRO 2 -10.496 7.554 8.231 14 HB3 PRO 2 HB1 PRO 2 -12.033 6.705 8.467 15 HG2 PRO 2 HG2 PRO 2 -9.239 5.775 9.049 16 HG3 PRO 2 HG1 PRO 2 -10.740 5.439 9.936 17 HD2 PRO 2 HD2 PRO 2 -9.486 3.783 7.932 18 HD3 PRO 2 HD1 PRO 2 -11.056 3.508 8.723 19 H THR 3 HN THR 3 -10.059 5.051 4.585 20 HA THR 3 HA THR 3 -7.284 5.318 5.014 21 HB THR 3 HB THR 3 -7.112 4.493 2.630 22 HG1 THR 3 HG1 THR 3 -9.138 3.974 1.606 23 HG21 THR 3 HG21 THR 3 -7.358 2.870 4.499 24 HG22 THR 3 HG22 THR 3 -8.170 2.298 3.040 25 HG23 THR 3 HG23 THR 3 -9.116 2.986 4.362 26 H LEU 4 HN LEU 4 -9.254 6.831 2.391 27 HA LEU 4 HA LEU 4 -7.381 8.787 1.614 28 HB2 LEU 4 HB2 LEU 4 -10.418 8.909 1.426 29 HB3 LEU 4 HB1 LEU 4 -9.309 9.947 0.540 30 HG LEU 4 HG LEU 4 -9.584 6.934 0.176 31 HD11 LEU 4 HD11 LEU 4 -10.616 7.454 -1.966 32 HD12 LEU 4 HD12 LEU 4 -10.485 9.183 -1.649 33 HD13 LEU 4 HD13 LEU 4 -11.540 8.178 -0.652 34 HD21 LEU 4 HD21 LEU 4 -7.284 7.679 -0.275 35 HD22 LEU 4 HD22 LEU 4 -7.881 8.913 -1.389 36 HD23 LEU 4 HD23 LEU 4 -8.096 7.200 -1.762 37 H ASP 5 HN ASP 5 -10.018 8.850 3.987 38 HA ASP 5 HA ASP 5 -10.101 11.552 4.687 39 HB2 ASP 5 HB2 ASP 5 -10.602 9.119 6.465 40 HB3 ASP 5 HB1 ASP 5 -11.041 10.769 6.899 41 H ALA 6 HN ALA 6 -8.040 8.983 5.963 42 HA ALA 6 HA ALA 6 -6.680 10.623 7.898 43 HB1 ALA 6 HB1 ALA 6 -7.002 8.207 8.275 44 HB2 ALA 6 HB2 ALA 6 -5.288 8.623 8.284 45 HB3 ALA 6 HB3 ALA 6 -5.999 7.842 6.868 46 H LEU 7 HN LEU 7 -6.077 9.559 4.583 47 HA LEU 7 HA LEU 7 -3.328 10.345 4.448 48 HB2 LEU 7 HB2 LEU 7 -5.360 9.790 2.248 49 HB3 LEU 7 HB1 LEU 7 -3.666 10.131 1.936 50 HG LEU 7 HG LEU 7 -4.724 7.723 3.469 51 HD11 LEU 7 HD11 LEU 7 -3.523 7.858 0.686 52 HD12 LEU 7 HD12 LEU 7 -5.217 7.559 1.083 53 HD13 LEU 7 HD13 LEU 7 -3.988 6.385 1.546 54 HD21 LEU 7 HD21 LEU 7 -2.400 6.898 3.442 55 HD22 LEU 7 HD22 LEU 7 -2.549 8.398 4.351 56 HD23 LEU 7 HD23 LEU 7 -1.865 8.422 2.723 57 H THR 8 HN THR 8 -6.392 12.033 3.896 58 HA THR 8 HA THR 8 -5.586 14.075 2.199 59 HB THR 8 HB THR 8 -7.779 14.166 4.315 60 HG1 THR 8 HG1 THR 8 -8.478 12.751 2.862 61 HG21 THR 8 HG21 THR 8 -8.767 16.015 3.008 62 HG22 THR 8 HG22 THR 8 -7.350 16.040 1.961 63 HG23 THR 8 HG23 THR 8 -7.192 16.478 3.662 64 HA PRO 9 HA PRO 9 -4.336 16.960 5.966 65 HB2 PRO 9 HB2 PRO 9 -3.813 15.789 8.405 66 HB3 PRO 9 HB1 PRO 9 -5.398 16.440 7.963 67 HG2 PRO 9 HG2 PRO 9 -4.419 13.588 7.838 68 HG3 PRO 9 HG1 PRO 9 -5.951 14.214 8.491 69 HD2 PRO 9 HD2 PRO 9 -5.840 13.129 6.028 70 HD3 PRO 9 HD1 PRO 9 -6.883 14.529 6.358 71 H ILE 10 HN ILE 10 -2.992 13.687 5.651 72 HA ILE 10 HA ILE 10 -0.305 14.243 6.422 73 HB ILE 10 HB ILE 10 -1.314 12.108 4.482 74 HG12 ILE 10 HG12 ILE 10 -2.292 11.883 6.751 75 HG13 ILE 10 HG11 ILE 10 -1.213 10.545 6.386 76 HG21 ILE 10 HG21 ILE 10 0.828 10.913 4.918 77 HG22 ILE 10 HG22 ILE 10 1.408 12.302 5.836 78 HG23 ILE 10 HG23 ILE 10 1.075 12.460 4.112 79 HD11 ILE 10 HD11 ILE 10 -0.966 11.272 8.668 80 HD12 ILE 10 HD12 ILE 10 -0.574 12.909 8.148 81 HD13 ILE 10 HD13 ILE 10 0.524 11.574 7.779 82 H PHE 11 HN PHE 11 -1.880 14.094 3.217 83 HA PHE 11 HA PHE 11 0.371 14.864 1.665 84 HB2 PHE 11 HB2 PHE 11 -2.623 14.868 1.091 85 HB3 PHE 11 HB1 PHE 11 -1.445 15.393 -0.105 86 HD1 PHE 11 HD2 PHE 11 -1.673 12.431 2.243 87 HD2 PHE 11 HD1 PHE 11 -1.168 13.780 -1.776 88 HE1 PHE 11 HE2 PHE 11 -1.446 10.105 1.494 89 HE2 PHE 11 HE1 PHE 11 -0.939 11.453 -2.510 90 HZ PHE 11 HZ PHE 11 -1.077 9.610 -0.887 91 H ARG 12 HN ARG 12 -2.342 16.680 3.083 92 HA ARG 12 HA ARG 12 -1.757 19.229 2.050 93 HB2 ARG 12 HB2 ARG 12 -3.173 18.397 4.606 94 HB3 ARG 12 HB1 ARG 12 -3.069 20.076 4.073 95 HG2 ARG 12 HG2 ARG 12 -4.273 19.501 1.993 96 HG3 ARG 12 HG1 ARG 12 -4.370 17.816 2.511 97 HD2 ARG 12 HD2 ARG 12 -5.736 18.480 4.449 98 HD3 ARG 12 HD1 ARG 12 -5.609 20.177 3.965 99 HE ARG 12 HE ARG 12 -6.709 18.395 1.971 100 HH11 ARG 12 HH11 ARG 12 -7.461 20.634 4.567 101 HH12 ARG 12 HH12 ARG 12 -9.103 20.839 4.066 102 HH21 ARG 12 HH21 ARG 12 -8.836 18.690 1.304 103 HH22 ARG 12 HH22 ARG 12 -9.893 19.723 2.211 104 H GLN 13 HN GLN 13 -0.331 17.496 4.773 105 HA GLN 13 HA GLN 13 1.181 19.735 5.766 106 HB2 GLN 13 HB2 GLN 13 0.555 17.853 7.254 107 HB3 GLN 13 HB1 GLN 13 1.477 16.732 6.263 108 HG2 GLN 13 HG2 GLN 13 2.679 17.309 8.331 109 HG3 GLN 13 HG1 GLN 13 3.574 17.835 6.906 110 HE21 GLN 13 HE21 GLN 13 0.791 19.563 8.266 111 HE22 GLN 13 HE22 GLN 13 1.679 20.937 8.807 112 H VAL 14 HN VAL 14 2.009 16.786 3.913 113 HA VAL 14 HA VAL 14 4.717 17.082 3.527 114 HB VAL 14 HB VAL 14 2.630 15.848 1.675 115 HG11 VAL 14 HG11 VAL 14 4.612 16.310 0.306 116 HG12 VAL 14 HG12 VAL 14 4.472 14.575 0.590 117 HG13 VAL 14 HG13 VAL 14 5.652 15.523 1.498 118 HG21 VAL 14 HG21 VAL 14 3.362 13.706 2.658 119 HG22 VAL 14 HG22 VAL 14 2.775 14.808 3.901 120 HG23 VAL 14 HG23 VAL 14 4.508 14.565 3.692 121 H PHE 15 HN PHE 15 2.193 18.137 1.239 122 HA PHE 15 HA PHE 15 4.113 19.498 -0.465 123 HB2 PHE 15 HB2 PHE 15 1.079 19.349 -0.691 124 HB3 PHE 15 HB1 PHE 15 2.183 19.905 -1.943 125 HD1 PHE 15 HD2 PHE 15 3.914 18.186 -2.857 126 HD2 PHE 15 HD1 PHE 15 0.481 17.051 -0.582 127 HE1 PHE 15 HE2 PHE 15 4.093 15.884 -3.696 128 HE2 PHE 15 HE1 PHE 15 0.683 14.757 -1.418 129 HZ PHE 15 HZ PHE 15 2.490 14.169 -2.978 130 H ASP 16 HN ASP 16 2.256 20.265 2.270 131 HA ASP 16 HA ASP 16 1.803 22.087 3.472 132 HB2 ASP 16 HB2 ASP 16 4.251 22.482 3.262 133 HB3 ASP 16 HB1 ASP 16 3.973 23.425 1.805 134 H ASP 17 HN ASP 17 -0.162 21.753 2.162 135 HA ASP 17 HA ASP 17 -1.246 24.276 1.405 136 HB2 ASP 17 HB2 ASP 17 -0.208 23.707 -0.775 137 HB3 ASP 17 HB1 ASP 17 -1.022 22.141 -0.775 138 H ASP 18 HN ASP 18 -3.205 24.246 2.294 139 HA ASP 18 HA ASP 18 -4.457 21.741 3.116 140 HB2 ASP 18 HB2 ASP 18 -4.224 23.654 4.727 141 HB3 ASP 18 HB1 ASP 18 -5.283 24.622 3.709 142 H SER 19 HN SER 19 -4.612 23.770 0.425 143 HA SER 19 HA SER 19 -7.439 23.501 -0.159 144 HB2 SER 19 HB2 SER 19 -5.158 24.437 -1.953 145 HB3 SER 19 HB1 SER 19 -6.886 24.626 -2.284 146 HG SER 19 HG SER 19 -6.490 25.608 0.119 147 H ILE 20 HN ILE 20 -4.706 21.468 -0.490 148 HA ILE 20 HA ILE 20 -5.344 19.870 -2.704 149 HB ILE 20 HB ILE 20 -4.077 19.018 -0.063 150 HG12 ILE 20 HG12 ILE 20 -2.751 19.792 -2.701 151 HG13 ILE 20 HG11 ILE 20 -2.841 20.818 -1.273 152 HG21 ILE 20 HG21 ILE 20 -4.067 17.514 -2.713 153 HG22 ILE 20 HG22 ILE 20 -4.898 17.020 -1.237 154 HG23 ILE 20 HG23 ILE 20 -3.138 17.067 -1.277 155 HD11 ILE 20 HD11 ILE 20 -1.376 18.194 -1.482 156 HD12 ILE 20 HD12 ILE 20 -1.476 19.205 -0.036 157 HD13 ILE 20 HD13 ILE 20 -0.667 19.807 -1.483 158 H VAL 21 HN VAL 21 -7.140 18.742 -3.110 159 HA VAL 21 HA VAL 21 -8.680 17.490 -0.911 160 HB VAL 21 HB VAL 21 -9.805 18.645 -3.518 161 HG11 VAL 21 HG11 VAL 21 -12.037 18.038 -2.620 162 HG12 VAL 21 HG12 VAL 21 -11.269 17.266 -1.231 163 HG13 VAL 21 HG13 VAL 21 -11.024 16.611 -2.851 164 HG21 VAL 21 HG21 VAL 21 -10.192 19.615 -0.653 165 HG22 VAL 21 HG22 VAL 21 -11.001 20.271 -2.078 166 HG23 VAL 21 HG23 VAL 21 -9.254 20.433 -1.908 167 H LEU 22 HN LEU 22 -8.110 15.410 -1.024 168 HA LEU 22 HA LEU 22 -7.057 14.193 -3.412 169 HB2 LEU 22 HB2 LEU 22 -7.680 13.010 -0.677 170 HB3 LEU 22 HB1 LEU 22 -6.885 12.131 -1.976 171 HG LEU 22 HG LEU 22 -5.769 14.556 -0.509 172 HD11 LEU 22 HD11 LEU 22 -5.727 12.481 0.812 173 HD12 LEU 22 HD12 LEU 22 -4.106 13.004 0.373 174 HD13 LEU 22 HD13 LEU 22 -4.859 11.658 -0.486 175 HD21 LEU 22 HD21 LEU 22 -5.067 14.619 -2.865 176 HD22 LEU 22 HD22 LEU 22 -4.503 12.948 -2.767 177 HD23 LEU 22 HD23 LEU 22 -3.706 14.210 -1.823 178 H THR 23 HN THR 23 -7.965 12.766 -4.717 179 HA THR 23 HA THR 23 -10.505 11.420 -4.026 180 HB THR 23 HB THR 23 -10.939 11.193 -6.502 181 HG1 THR 23 HG1 THR 23 -9.726 12.665 -7.890 182 HG21 THR 23 HG21 THR 23 -10.746 14.095 -5.589 183 HG22 THR 23 HG22 THR 23 -12.098 13.003 -5.276 184 HG23 THR 23 HG23 THR 23 -11.728 13.493 -6.928 185 H ARG 24 HN ARG 24 -10.480 9.232 -5.439 186 HA ARG 24 HA ARG 24 -8.140 7.810 -4.684 187 HB2 ARG 24 HB2 ARG 24 -10.384 6.936 -6.539 188 HB3 ARG 24 HB1 ARG 24 -9.143 5.875 -5.866 189 HG2 ARG 24 HG2 ARG 24 -9.947 6.617 -3.554 190 HG3 ARG 24 HG1 ARG 24 -11.319 7.358 -4.378 191 HD2 ARG 24 HD2 ARG 24 -10.581 4.423 -4.372 192 HD3 ARG 24 HD1 ARG 24 -11.925 5.170 -3.510 193 HE ARG 24 HE ARG 24 -12.704 5.813 -5.865 194 HH11 ARG 24 HH11 ARG 24 -11.023 2.806 -5.135 195 HH12 ARG 24 HH12 ARG 24 -11.778 1.935 -6.429 196 HH21 ARG 24 HH21 ARG 24 -13.694 4.659 -7.536 197 HH22 ARG 24 HH22 ARG 24 -13.280 2.995 -7.807 198 H GLU 25 HN GLU 25 -9.254 9.095 -7.836 199 HA GLU 25 HA GLU 25 -7.100 7.806 -9.286 200 HB2 GLU 25 HB2 GLU 25 -9.255 9.769 -10.170 201 HB3 GLU 25 HB1 GLU 25 -8.101 9.006 -11.262 202 HG2 GLU 25 HG2 GLU 25 -8.995 6.796 -10.734 203 HG3 GLU 25 HG1 GLU 25 -10.081 7.486 -9.532 204 H THR 26 HN THR 26 -6.987 10.380 -7.263 205 HA THR 26 HA THR 26 -5.438 12.326 -8.576 206 HB THR 26 HB THR 26 -5.453 11.493 -5.641 207 HG1 THR 26 HG1 THR 26 -7.255 12.708 -7.130 208 HG21 THR 26 HG21 THR 26 -3.390 12.771 -6.096 209 HG22 THR 26 HG22 THR 26 -4.520 13.734 -5.148 210 HG23 THR 26 HG23 THR 26 -4.345 14.047 -6.872 211 H SER 27 HN SER 27 -3.862 11.420 -9.872 212 HA SER 27 HA SER 27 -1.704 9.801 -8.723 213 HB2 SER 27 HB2 SER 27 -2.019 10.858 -11.575 214 HB3 SER 27 HB1 SER 27 -0.939 9.568 -11.031 215 HG SER 27 HG SER 27 -3.748 9.398 -10.697 216 H ALA 28 HN ALA 28 0.601 10.598 -9.370 217 HA ALA 28 HA ALA 28 1.195 13.175 -8.481 218 HB1 ALA 28 HB1 ALA 28 2.842 11.444 -10.321 219 HB2 ALA 28 HB2 ALA 28 2.804 11.333 -8.562 220 HB3 ALA 28 HB3 ALA 28 3.436 12.785 -9.341 221 H ASN 29 HN ASN 29 -0.065 12.267 -11.533 222 HA ASN 29 HA ASN 29 0.754 14.569 -13.056 223 HB2 ASN 29 HB2 ASN 29 0.094 12.391 -14.099 224 HB3 ASN 29 HB1 ASN 29 -1.556 12.634 -13.542 225 HD21 ASN 29 HD21 ASN 29 -2.869 14.158 -14.634 226 HD22 ASN 29 HD22 ASN 29 -2.417 14.822 -16.164 227 H ASP 30 HN ASP 30 -1.906 13.757 -10.893 228 HA ASP 30 HA ASP 30 -3.717 15.851 -11.568 229 HB2 ASP 30 HB2 ASP 30 -4.445 13.793 -10.405 230 HB3 ASP 30 HB1 ASP 30 -3.440 14.191 -9.017 231 H ILE 31 HN ILE 31 -0.901 15.668 -9.516 232 HA ILE 31 HA ILE 31 -1.386 18.385 -8.433 233 HB ILE 31 HB ILE 31 0.084 16.070 -7.067 234 HG12 ILE 31 HG12 ILE 31 -2.534 17.473 -6.325 235 HG13 ILE 31 HG11 ILE 31 -2.368 15.817 -6.900 236 HG21 ILE 31 HG21 ILE 31 -0.289 18.925 -6.071 237 HG22 ILE 31 HG22 ILE 31 1.227 18.204 -6.616 238 HG23 ILE 31 HG23 ILE 31 0.443 17.602 -5.157 239 HD11 ILE 31 HD11 ILE 31 -1.360 16.898 -4.265 240 HD12 ILE 31 HD12 ILE 31 -1.169 15.236 -4.830 241 HD13 ILE 31 HD13 ILE 31 -2.779 15.885 -4.513 242 H ASP 32 HN ASP 32 -0.101 19.716 -9.562 243 HA ASP 32 HA ASP 32 2.063 18.856 -11.195 244 HB2 ASP 32 HB2 ASP 32 1.265 21.689 -10.394 245 HB3 ASP 32 HB1 ASP 32 2.429 21.292 -11.654 246 H ALA 33 HN ALA 33 1.918 20.091 -7.952 247 HA ALA 33 HA ALA 33 4.734 20.626 -7.663 248 HB1 ALA 33 HB1 ALA 33 3.042 21.800 -6.304 249 HB2 ALA 33 HB2 ALA 33 4.203 20.948 -5.284 250 HB3 ALA 33 HB3 ALA 33 2.589 20.277 -5.537 251 H TRP 34 HN TRP 34 2.961 17.692 -7.776 252 HA TRP 34 HA TRP 34 4.479 16.235 -5.765 253 HB2 TRP 34 HB2 TRP 34 1.989 15.901 -6.362 254 HB3 TRP 34 HB1 TRP 34 2.537 15.071 -7.806 255 HD1 TRP 34 HD1 TRP 34 4.940 13.765 -5.507 256 HE1 TRP 34 HE1 TRP 34 4.136 11.610 -4.361 257 HE3 TRP 34 HE3 TRP 34 -0.064 14.102 -6.523 258 HZ2 TRP 34 HZ2 TRP 34 1.730 10.238 -3.930 259 HZ3 TRP 34 HZ3 TRP 34 -1.553 12.318 -5.713 260 HH2 TRP 34 HH2 TRP 34 -0.672 10.424 -4.442 261 H ASP 35 HN ASP 35 6.492 16.949 -6.984 262 HA ASP 35 HA ASP 35 7.442 15.409 -9.201 263 HB2 ASP 35 HB2 ASP 35 8.420 17.606 -8.519 264 HB3 ASP 35 HB1 ASP 35 8.966 16.899 -7.003 265 H SER 36 HN SER 36 9.310 13.799 -8.962 266 HA SER 36 HA SER 36 8.804 11.565 -7.440 267 HB2 SER 36 HB2 SER 36 11.629 12.378 -8.208 268 HB3 SER 36 HB1 SER 36 10.921 10.758 -8.178 269 H LEU 37 HN LEU 37 10.843 14.328 -6.623 270 HA LEU 37 HA LEU 37 11.937 13.450 -4.164 271 HB2 LEU 37 HB2 LEU 37 12.649 15.440 -5.616 272 HB3 LEU 37 HB1 LEU 37 11.294 16.327 -4.962 273 HG LEU 37 HG LEU 37 13.597 16.850 -3.983 274 HD11 LEU 37 HD11 LEU 37 11.482 16.052 -1.977 275 HD12 LEU 37 HD12 LEU 37 11.598 17.591 -2.831 276 HD13 LEU 37 HD13 LEU 37 12.851 17.131 -1.683 277 HD21 LEU 37 HD21 LEU 37 14.449 14.555 -3.853 278 HD22 LEU 37 HD22 LEU 37 13.273 14.176 -2.589 279 HD23 LEU 37 HD23 LEU 37 14.538 15.371 -2.295 280 H SER 38 HN SER 38 8.922 15.121 -4.979 281 HA SER 38 HA SER 38 7.994 15.618 -2.341 282 HB2 SER 38 HB2 SER 38 6.272 15.290 -4.828 283 HB3 SER 38 HB1 SER 38 5.911 16.243 -3.387 284 HG SER 38 HG SER 38 8.241 17.063 -4.373 285 H HIS 39 HN HIS 39 7.616 12.873 -4.564 286 HA HIS 39 HA HIS 39 5.866 11.239 -3.076 287 HB2 HIS 39 HB2 HIS 39 8.150 10.446 -4.935 288 HB3 HIS 39 HB1 HIS 39 7.098 9.254 -4.182 289 HD2 HIS 39 HD2 HIS 39 7.036 11.893 -7.008 290 HE1 HIS 39 HE1 HIS 39 3.470 9.659 -7.115 291 HE2 HIS 39 HE2 HIS 39 4.802 11.502 -8.217 292 H MET 40 HN MET 40 9.391 11.618 -2.868 293 HA MET 40 HA MET 40 9.897 9.635 -0.937 294 HB2 MET 40 HB2 MET 40 11.420 12.219 -1.480 295 HB3 MET 40 HB1 MET 40 12.013 10.906 -0.463 296 HG2 MET 40 HG2 MET 40 11.506 10.845 -3.439 297 HG3 MET 40 HG1 MET 40 13.052 10.696 -2.599 298 HE1 MET 40 HE1 MET 40 12.568 7.144 -0.854 299 HE2 MET 40 HE2 MET 40 12.052 8.670 -0.144 300 HE3 MET 40 HE3 MET 40 13.610 8.562 -0.973 301 H ASN 41 HN ASN 41 9.249 13.098 -0.605 302 HA ASN 41 HA ASN 41 9.293 13.364 2.193 303 HB2 ASN 41 HB2 ASN 41 7.566 14.882 0.181 304 HB3 ASN 41 HB1 ASN 41 7.925 15.411 1.823 305 HD21 ASN 41 HD21 ASN 41 8.426 16.755 -0.686 306 HD22 ASN 41 HD22 ASN 41 10.124 17.053 -0.750 307 H LEU 42 HN LEU 42 6.700 12.529 -0.040 308 HA LEU 42 HA LEU 42 4.513 12.496 1.702 309 HB2 LEU 42 HB2 LEU 42 4.527 12.597 -0.840 310 HB3 LEU 42 HB1 LEU 42 4.869 10.882 -0.863 311 HG LEU 42 HG LEU 42 2.448 11.644 -1.323 312 HD11 LEU 42 HD11 LEU 42 2.974 9.300 -0.916 313 HD12 LEU 42 HD12 LEU 42 1.418 9.729 -0.210 314 HD13 LEU 42 HD13 LEU 42 2.838 9.550 0.826 315 HD21 LEU 42 HD21 LEU 42 2.401 12.019 1.688 316 HD22 LEU 42 HD22 LEU 42 1.022 12.115 0.591 317 HD23 LEU 42 HD23 LEU 42 2.311 13.307 0.482 318 H ILE 43 HN ILE 43 6.650 9.866 0.640 319 HA ILE 43 HA ILE 43 5.199 7.791 1.951 320 HB ILE 43 HB ILE 43 7.957 7.845 0.668 321 HG12 ILE 43 HG12 ILE 43 6.080 8.012 -0.902 322 HG13 ILE 43 HG11 ILE 43 6.843 6.438 -1.072 323 HG21 ILE 43 HG21 ILE 43 8.018 5.363 0.849 324 HG22 ILE 43 HG22 ILE 43 6.578 5.410 1.869 325 HG23 ILE 43 HG23 ILE 43 8.083 6.143 2.431 326 HD11 ILE 43 HD11 ILE 43 4.248 7.021 0.360 327 HD12 ILE 43 HD12 ILE 43 5.019 5.437 0.254 328 HD13 ILE 43 HD13 ILE 43 4.441 6.236 -1.207 329 H VAL 44 HN VAL 44 8.256 9.528 2.767 330 HA VAL 44 HA VAL 44 8.759 8.029 5.111 331 HB VAL 44 HB VAL 44 10.355 9.775 5.760 332 HG11 VAL 44 HG11 VAL 44 11.860 9.620 3.804 333 HG12 VAL 44 HG12 VAL 44 10.510 9.063 2.813 334 HG13 VAL 44 HG13 VAL 44 11.084 8.074 4.159 335 HG21 VAL 44 HG21 VAL 44 9.129 11.799 5.100 336 HG22 VAL 44 HG22 VAL 44 9.323 11.380 3.398 337 HG23 VAL 44 HG23 VAL 44 10.737 11.778 4.375 338 H SER 45 HN SER 45 6.702 10.821 4.545 339 HA SER 45 HA SER 45 5.971 11.389 7.225 340 HB2 SER 45 HB2 SER 45 4.353 11.661 4.662 341 HB3 SER 45 HB1 SER 45 3.846 12.312 6.220 342 HG SER 45 HG SER 45 5.632 13.289 4.425 343 H LEU 46 HN LEU 46 4.607 9.071 4.843 344 HA LEU 46 HA LEU 46 2.507 8.080 6.479 345 HB2 LEU 46 HB2 LEU 46 3.966 6.721 4.175 346 HB3 LEU 46 HB1 LEU 46 2.472 6.131 4.895 347 HG LEU 46 HG LEU 46 2.796 8.765 3.391 348 HD11 LEU 46 HD11 LEU 46 2.911 6.866 1.878 349 HD12 LEU 46 HD12 LEU 46 1.397 7.738 1.652 350 HD13 LEU 46 HD13 LEU 46 1.413 6.207 2.536 351 HD21 LEU 46 HD21 LEU 46 0.286 7.526 4.569 352 HD22 LEU 46 HD22 LEU 46 0.348 8.966 3.548 353 HD23 LEU 46 HD23 LEU 46 1.103 8.985 5.139 354 H GLU 47 HN GLU 47 5.883 7.171 6.103 355 HA GLU 47 HA GLU 47 5.937 4.734 7.506 356 HB2 GLU 47 HB2 GLU 47 8.190 6.784 7.251 357 HB3 GLU 47 HB1 GLU 47 8.386 5.086 7.676 358 HG2 GLU 47 HG2 GLU 47 7.365 6.115 5.019 359 HG3 GLU 47 HG1 GLU 47 9.015 5.625 5.327 360 H VAL 48 HN VAL 48 6.741 8.062 8.642 361 HA VAL 48 HA VAL 48 7.218 7.203 11.318 362 HB VAL 48 HB VAL 48 7.438 9.606 11.892 363 HG11 VAL 48 HG11 VAL 48 9.410 10.080 10.494 364 HG12 VAL 48 HG12 VAL 48 8.906 8.836 9.347 365 HG13 VAL 48 HG13 VAL 48 9.369 8.384 10.988 366 HG21 VAL 48 HG21 VAL 48 5.701 10.576 10.432 367 HG22 VAL 48 HG22 VAL 48 6.654 10.164 9.007 368 HG23 VAL 48 HG23 VAL 48 7.258 11.359 10.158 369 H HIS 49 HN HIS 49 4.420 8.863 9.804 370 HA HIS 49 HA HIS 49 2.976 9.336 12.194 371 HB2 HIS 49 HB2 HIS 49 2.148 9.295 9.274 372 HB3 HIS 49 HB1 HIS 49 0.955 9.550 10.539 373 HD1 HIS 49 HD1 HIS 49 0.752 11.874 11.488 374 HD2 HIS 49 HD2 HIS 49 4.123 11.444 9.104 375 HE1 HIS 49 HE1 HIS 49 1.649 14.195 11.169 376 HE2 HIS 49 HE2 HIS 49 3.729 13.902 9.776 377 H TYR 50 HN TYR 50 2.529 6.752 9.727 378 HA TYR 50 HA TYR 50 0.509 5.439 11.421 379 HB2 TYR 50 HB2 TYR 50 1.430 4.781 8.598 380 HB3 TYR 50 HB1 TYR 50 0.097 3.999 9.439 381 HD1 TYR 50 HD1 TYR 50 -2.028 5.252 9.860 382 HD2 TYR 50 HD2 TYR 50 1.158 6.979 7.595 383 HE1 TYR 50 HE1 TYR 50 -3.573 6.949 8.977 384 HE2 TYR 50 HE2 TYR 50 -0.391 8.669 6.719 385 HH TYR 50 HH TYR 50 -2.819 8.913 6.340 386 H LYS 51 HN LYS 51 3.818 5.274 11.128 387 HA LYS 51 HA LYS 51 5.464 3.866 11.685 388 HB2 LYS 51 HB2 LYS 51 3.275 2.403 13.226 389 HB3 LYS 51 HB1 LYS 51 4.982 2.016 13.352 390 HG2 LYS 51 HG2 LYS 51 4.555 3.332 15.250 391 HG3 LYS 51 HG1 LYS 51 5.333 4.444 14.124 392 HD2 LYS 51 HD2 LYS 51 3.077 5.332 13.499 393 HD3 LYS 51 HD1 LYS 51 2.346 4.246 14.684 394 HE2 LYS 51 HE2 LYS 51 2.536 6.502 15.605 395 HE3 LYS 51 HE1 LYS 51 3.594 5.404 16.491 396 HZ1 LYS 51 HZ1 LYS 51 4.714 7.466 16.022 397 HZ2 LYS 51 HZ2 LYS 51 4.425 7.306 14.366 398 HZ3 LYS 51 HZ3 LYS 51 5.457 6.221 15.151 399 H ILE 52 HN ILE 52 4.154 3.450 9.146 400 HA ILE 52 HA ILE 52 4.076 0.510 8.780 401 HB ILE 52 HB ILE 52 2.777 0.921 6.705 402 HG12 ILE 52 HG12 ILE 52 2.852 3.862 7.535 403 HG13 ILE 52 HG11 ILE 52 3.573 3.172 6.084 404 HG21 ILE 52 HG21 ILE 52 1.525 2.198 9.162 405 HG22 ILE 52 HG22 ILE 52 1.593 0.471 8.813 406 HG23 ILE 52 HG23 ILE 52 0.645 1.539 7.779 407 HD11 ILE 52 HD11 ILE 52 0.622 3.376 6.697 408 HD12 ILE 52 HD12 ILE 52 1.311 2.613 5.261 409 HD13 ILE 52 HD13 ILE 52 1.535 4.341 5.538 410 H LYS 53 HN LYS 53 4.488 0.180 6.149 411 HA LYS 53 HA LYS 53 7.208 1.197 5.602 412 HB2 LYS 53 HB2 LYS 53 7.506 -0.909 6.762 413 HB3 LYS 53 HB1 LYS 53 6.292 -1.714 5.785 414 HG2 LYS 53 HG2 LYS 53 8.736 -0.617 4.413 415 HG3 LYS 53 HG1 LYS 53 8.913 -2.076 5.387 416 HD2 LYS 53 HD2 LYS 53 7.175 -3.202 4.011 417 HD3 LYS 53 HD1 LYS 53 6.987 -1.736 3.044 418 HE2 LYS 53 HE2 LYS 53 9.326 -1.932 2.290 419 HE3 LYS 53 HE1 LYS 53 9.521 -3.400 3.255 420 HZ1 LYS 53 HZ1 LYS 53 9.080 -3.911 0.943 421 HZ2 LYS 53 HZ2 LYS 53 7.632 -3.041 0.991 422 HZ3 LYS 53 HZ3 LYS 53 7.800 -4.442 1.913 423 H PHE 54 HN PHE 54 7.380 1.898 3.498 424 HA PHE 54 HA PHE 54 6.025 0.281 1.396 425 HB2 PHE 54 HB2 PHE 54 6.616 3.283 1.226 426 HB3 PHE 54 HB1 PHE 54 5.996 2.287 -0.087 427 HD1 PHE 54 HD2 PHE 54 3.662 1.351 0.012 428 HD2 PHE 54 HD1 PHE 54 5.159 4.061 2.988 429 HE1 PHE 54 HE2 PHE 54 1.373 1.793 0.790 430 HE2 PHE 54 HE1 PHE 54 2.856 4.467 3.742 431 HZ PHE 54 HZ PHE 54 0.977 3.335 2.648 432 H ALA 55 HN ALA 55 7.250 -0.360 -0.252 433 HA ALA 55 HA ALA 55 10.126 0.319 -0.332 434 HB1 ALA 55 HB1 ALA 55 9.664 -2.090 -0.084 435 HB2 ALA 55 HB2 ALA 55 10.370 -1.754 -1.664 436 HB3 ALA 55 HB3 ALA 55 8.637 -2.056 -1.523 437 H LEU 56 HN LEU 56 11.001 0.757 -2.480 438 HA LEU 56 HA LEU 56 9.373 2.650 -3.915 439 HB2 LEU 56 HB2 LEU 56 11.952 2.679 -3.533 440 HB3 LEU 56 HB1 LEU 56 12.067 1.545 -4.853 441 HG LEU 56 HG LEU 56 12.593 3.972 -5.413 442 HD11 LEU 56 HD11 LEU 56 12.128 2.409 -7.203 443 HD12 LEU 56 HD12 LEU 56 11.517 4.014 -7.592 444 HD13 LEU 56 HD13 LEU 56 10.402 2.743 -7.083 445 HD21 LEU 56 HD21 LEU 56 10.849 5.034 -4.062 446 HD22 LEU 56 HD22 LEU 56 9.605 4.391 -5.137 447 HD23 LEU 56 HD23 LEU 56 10.779 5.564 -5.740 448 H GLY 57 HN GLY 57 10.281 -0.738 -4.423 449 HA2 GLY 57 HA2 GLY 57 9.325 -1.184 -7.025 450 HA3 GLY 57 HA1 GLY 57 9.334 -2.372 -5.728 451 H GLU 58 HN GLU 58 7.586 -1.117 -3.913 452 HA GLU 58 HA GLU 58 4.987 -1.722 -4.898 453 HB2 GLU 58 HB2 GLU 58 5.733 -0.106 -2.415 454 HB3 GLU 58 HB1 GLU 58 4.146 -0.797 -2.754 455 HG2 GLU 58 HG2 GLU 58 5.154 -3.075 -2.675 456 HG3 GLU 58 HG1 GLU 58 6.708 -2.350 -2.255 457 H LEU 59 HN LEU 59 6.752 1.321 -4.422 458 HA LEU 59 HA LEU 59 4.745 3.200 -4.978 459 HB2 LEU 59 HB2 LEU 59 7.754 3.242 -5.071 460 HB3 LEU 59 HB1 LEU 59 6.922 4.564 -5.856 461 HG LEU 59 HG LEU 59 7.622 5.161 -3.575 462 HD11 LEU 59 HD11 LEU 59 5.493 6.057 -2.797 463 HD12 LEU 59 HD12 LEU 59 4.619 4.992 -3.896 464 HD13 LEU 59 HD13 LEU 59 5.683 6.249 -4.535 465 HD21 LEU 59 HD21 LEU 59 6.570 4.155 -1.596 466 HD22 LEU 59 HD22 LEU 59 7.522 2.977 -2.496 467 HD23 LEU 59 HD23 LEU 59 5.762 2.963 -2.624 468 H GLN 60 HN GLN 60 6.825 1.401 -7.195 469 HA GLN 60 HA GLN 60 6.101 2.808 -9.570 470 HB2 GLN 60 HB2 GLN 60 7.161 -0.025 -9.281 471 HB3 GLN 60 HB1 GLN 60 7.156 0.924 -10.765 472 HG2 GLN 60 HG2 GLN 60 8.685 1.704 -8.270 473 HG3 GLN 60 HG1 GLN 60 9.368 0.740 -9.568 474 HE21 GLN 60 HE21 GLN 60 7.287 3.637 -10.111 475 HE22 GLN 60 HE22 GLN 60 8.552 4.592 -10.769 476 H LYS 61 HN LYS 61 4.567 0.293 -7.737 477 HA LYS 61 HA LYS 61 2.560 -0.280 -9.812 478 HB2 LYS 61 HB2 LYS 61 2.896 -1.494 -7.028 479 HB3 LYS 61 HB1 LYS 61 1.764 -2.039 -8.268 480 HG2 LYS 61 HG2 LYS 61 4.797 -2.158 -8.413 481 HG3 LYS 61 HG1 LYS 61 3.698 -3.519 -8.167 482 HD2 LYS 61 HD2 LYS 61 2.755 -3.188 -10.421 483 HD3 LYS 61 HD1 LYS 61 3.790 -1.780 -10.666 484 HE2 LYS 61 HE2 LYS 61 5.790 -3.252 -10.482 485 HE3 LYS 61 HE1 LYS 61 4.720 -4.649 -10.318 486 HZ1 LYS 61 HZ1 LYS 61 3.839 -4.213 -12.499 487 HZ2 LYS 61 HZ2 LYS 61 5.521 -4.332 -12.587 488 HZ3 LYS 61 HZ3 LYS 61 4.783 -2.817 -12.651 489 H LEU 62 HN LEU 62 3.012 1.882 -7.239 490 HA LEU 62 HA LEU 62 0.164 2.318 -6.680 491 HB2 LEU 62 HB2 LEU 62 2.658 3.801 -5.713 492 HB3 LEU 62 HB1 LEU 62 1.015 4.172 -5.203 493 HG LEU 62 HG LEU 62 2.486 1.568 -4.659 494 HD11 LEU 62 HD11 LEU 62 2.517 2.245 -2.308 495 HD12 LEU 62 HD12 LEU 62 1.771 3.788 -2.727 496 HD13 LEU 62 HD13 LEU 62 3.388 3.402 -3.316 497 HD21 LEU 62 HD21 LEU 62 -0.284 2.418 -3.751 498 HD22 LEU 62 HD22 LEU 62 0.565 0.942 -3.285 499 HD23 LEU 62 HD23 LEU 62 0.087 1.181 -4.957 500 H LYS 63 HN LYS 63 -0.848 3.206 -8.409 501 HA LYS 63 HA LYS 63 0.535 5.098 -10.157 502 HB2 LYS 63 HB2 LYS 63 -0.851 3.087 -10.971 503 HB3 LYS 63 HB1 LYS 63 -2.287 3.987 -10.505 504 HG2 LYS 63 HG2 LYS 63 -0.270 5.143 -12.453 505 HG3 LYS 63 HG1 LYS 63 -1.498 4.001 -12.995 506 HD2 LYS 63 HD2 LYS 63 -3.282 5.509 -12.312 507 HD3 LYS 63 HD1 LYS 63 -2.125 6.622 -11.581 508 HE2 LYS 63 HE2 LYS 63 -1.168 7.089 -13.816 509 HE3 LYS 63 HE1 LYS 63 -2.335 5.975 -14.543 510 HZ1 LYS 63 HZ1 LYS 63 -3.005 8.447 -13.038 511 HZ2 LYS 63 HZ2 LYS 63 -4.120 7.385 -13.739 512 HZ3 LYS 63 HZ3 LYS 63 -3.061 8.269 -14.717 513 H ASN 64 HN ASN 64 -1.922 5.066 -7.657 514 HA ASN 64 HA ASN 64 -1.984 7.961 -7.555 515 HB2 ASN 64 HB2 ASN 64 -4.552 8.022 -7.740 516 HB3 ASN 64 HB1 ASN 64 -3.671 7.777 -9.242 517 HD21 ASN 64 HD21 ASN 64 -3.913 5.896 -10.349 518 HD22 ASN 64 HD22 ASN 64 -5.044 4.665 -9.936 519 H VAL 65 HN VAL 65 -3.850 8.611 -5.883 520 HA VAL 65 HA VAL 65 -3.059 7.564 -3.350 521 HB VAL 65 HB VAL 65 -5.400 9.443 -3.957 522 HG11 VAL 65 HG11 VAL 65 -3.844 9.087 -1.359 523 HG12 VAL 65 HG12 VAL 65 -5.489 8.527 -1.658 524 HG13 VAL 65 HG13 VAL 65 -5.143 10.255 -1.638 525 HG21 VAL 65 HG21 VAL 65 -2.510 10.173 -3.326 526 HG22 VAL 65 HG22 VAL 65 -3.846 11.314 -3.516 527 HG23 VAL 65 HG23 VAL 65 -3.309 10.350 -4.889 528 H GLY 66 HN GLY 66 -5.526 6.648 -5.551 529 HA2 GLY 66 HA2 GLY 66 -7.331 5.314 -3.767 530 HA3 GLY 66 HA1 GLY 66 -7.198 5.073 -5.508 531 H ASP 67 HN ASP 67 -4.531 4.332 -5.731 532 HA ASP 67 HA ASP 67 -4.404 1.635 -4.881 533 HB2 ASP 67 HB2 ASP 67 -2.131 3.496 -5.729 534 HB3 ASP 67 HB1 ASP 67 -1.972 1.754 -5.527 535 H LEU 68 HN LEU 68 -3.010 4.653 -3.539 536 HA LEU 68 HA LEU 68 -1.747 3.508 -1.286 537 HB2 LEU 68 HB2 LEU 68 -2.665 6.307 -1.939 538 HB3 LEU 68 HB1 LEU 68 -2.236 5.954 -0.283 539 HG LEU 68 HG LEU 68 -0.348 6.982 -1.350 540 HD11 LEU 68 HD11 LEU 68 1.400 5.323 -0.974 541 HD12 LEU 68 HD12 LEU 68 0.199 4.031 -0.975 542 HD13 LEU 68 HD13 LEU 68 0.168 5.267 0.286 543 HD21 LEU 68 HD21 LEU 68 0.780 6.059 -3.327 544 HD22 LEU 68 HD22 LEU 68 -0.886 6.507 -3.689 545 HD23 LEU 68 HD23 LEU 68 -0.462 4.809 -3.463 546 H ALA 69 HN ALA 69 -5.150 4.374 -1.813 547 HA ALA 69 HA ALA 69 -5.976 4.370 0.893 548 HB1 ALA 69 HB1 ALA 69 -8.258 4.081 0.064 549 HB2 ALA 69 HB2 ALA 69 -7.644 3.634 -1.536 550 HB3 ALA 69 HB3 ALA 69 -7.393 5.267 -0.919 551 H ASP 70 HN ASP 70 -6.080 1.836 -1.582 552 HA ASP 70 HA ASP 70 -6.833 -0.322 0.117 553 HB2 ASP 70 HB2 ASP 70 -5.443 -0.306 -2.595 554 HB3 ASP 70 HB1 ASP 70 -5.918 -1.790 -1.773 555 H LEU 71 HN LEU 71 -3.666 0.997 -0.811 556 HA LEU 71 HA LEU 71 -2.135 -1.271 0.019 557 HB2 LEU 71 HB2 LEU 71 -1.577 0.821 -1.639 558 HB3 LEU 71 HB1 LEU 71 -0.757 1.397 -0.210 559 HG LEU 71 HG LEU 71 0.820 0.268 -1.688 560 HD11 LEU 71 HD11 LEU 71 1.247 0.029 0.689 561 HD12 LEU 71 HD12 LEU 71 1.817 -1.367 -0.217 562 HD13 LEU 71 HD13 LEU 71 0.324 -1.473 0.721 563 HD21 LEU 71 HD21 LEU 71 0.649 -2.075 -2.299 564 HD22 LEU 71 HD22 LEU 71 -0.751 -1.182 -2.884 565 HD23 LEU 71 HD23 LEU 71 -0.899 -2.217 -1.460 566 H VAL 72 HN VAL 72 -2.360 2.048 1.398 567 HA VAL 72 HA VAL 72 -1.109 1.637 3.840 568 HB VAL 72 HB VAL 72 -3.444 3.525 3.235 569 HG11 VAL 72 HG11 VAL 72 -2.719 4.847 5.219 570 HG12 VAL 72 HG12 VAL 72 -1.547 3.585 5.617 571 HG13 VAL 72 HG13 VAL 72 -3.274 3.234 5.666 572 HG21 VAL 72 HG21 VAL 72 -0.455 4.111 3.295 573 HG22 VAL 72 HG22 VAL 72 -1.732 5.274 2.938 574 HG23 VAL 72 HG23 VAL 72 -1.421 3.936 1.830 575 H ASP 73 HN ASP 73 -4.472 0.933 2.889 576 HA ASP 73 HA ASP 73 -5.502 0.154 5.406 577 HB2 ASP 73 HB2 ASP 73 -6.945 0.587 3.443 578 HB3 ASP 73 HB1 ASP 73 -6.274 -0.814 2.618 579 H LYS 74 HN LYS 74 -3.758 -1.653 2.928 580 HA LYS 74 HA LYS 74 -4.020 -4.267 4.079 581 HB2 LYS 74 HB2 LYS 74 -1.831 -3.239 2.211 582 HB3 LYS 74 HB1 LYS 74 -2.075 -4.928 2.634 583 HG2 LYS 74 HG2 LYS 74 -3.976 -3.178 1.053 584 HG3 LYS 74 HG1 LYS 74 -2.953 -4.458 0.412 585 HD2 LYS 74 HD2 LYS 74 -5.232 -4.861 2.389 586 HD3 LYS 74 HD1 LYS 74 -5.344 -5.126 0.649 587 HE2 LYS 74 HE2 LYS 74 -3.502 -6.637 2.537 588 HE3 LYS 74 HE1 LYS 74 -5.030 -7.240 1.890 589 HZ1 LYS 74 HZ1 LYS 74 -4.100 -7.073 -0.336 590 HZ2 LYS 74 HZ2 LYS 74 -3.159 -8.082 0.633 591 HZ3 LYS 74 HZ3 LYS 74 -2.633 -6.513 0.287 592 H LYS 75 HN LYS 75 -1.645 -1.656 4.423 593 HA LYS 75 HA LYS 75 0.252 -3.033 6.029 594 HB2 LYS 75 HB2 LYS 75 -0.312 -0.037 5.787 595 HB3 LYS 75 HB1 LYS 75 1.149 -0.749 6.466 596 HG2 LYS 75 HG2 LYS 75 0.256 -1.072 3.584 597 HG3 LYS 75 HG1 LYS 75 1.412 0.140 4.144 598 HD2 LYS 75 HD2 LYS 75 2.963 -1.619 4.853 599 HD3 LYS 75 HD1 LYS 75 1.798 -2.874 4.413 600 HE2 LYS 75 HE2 LYS 75 2.010 -2.361 2.081 601 HE3 LYS 75 HE1 LYS 75 2.910 -0.884 2.416 602 HZ1 LYS 75 HZ1 LYS 75 4.347 -2.633 1.649 603 HZ2 LYS 75 HZ2 LYS 75 3.866 -3.642 2.922 604 HZ3 LYS 75 HZ3 LYS 75 4.722 -2.220 3.246 605 H LEU 76 HN LEU 76 -2.466 -0.840 6.758 606 HA LEU 76 HA LEU 76 -2.109 -0.686 9.565 607 HB2 LEU 76 HB2 LEU 76 -4.590 -0.184 7.868 608 HB3 LEU 76 HB1 LEU 76 -4.513 0.138 9.594 609 HG LEU 76 HG LEU 76 -2.853 1.526 7.448 610 HD11 LEU 76 HD11 LEU 76 -4.166 3.528 7.991 611 HD12 LEU 76 HD12 LEU 76 -5.149 2.591 9.119 612 HD13 LEU 76 HD13 LEU 76 -5.187 2.221 7.394 613 HD21 LEU 76 HD21 LEU 76 -2.867 2.004 10.452 614 HD22 LEU 76 HD22 LEU 76 -2.044 3.010 9.256 615 HD23 LEU 76 HD23 LEU 76 -1.537 1.341 9.498 616 H ALA 77 HN ALA 77 -3.983 -2.828 7.485 617 HA ALA 77 HA ALA 77 -5.364 -4.345 9.401 618 HB1 ALA 77 HB1 ALA 77 -5.555 -6.071 7.646 619 HB2 ALA 77 HB2 ALA 77 -4.307 -5.254 6.701 620 HB3 ALA 77 HB3 ALA 77 -5.854 -4.460 6.988 621 H ARG 78 HN ARG 78 -2.083 -4.666 8.094 622 HA ARG 78 HA ARG 78 -1.336 -6.981 9.595 623 HB2 ARG 78 HB2 ARG 78 0.417 -4.823 8.343 624 HB3 ARG 78 HB1 ARG 78 1.017 -6.328 9.027 625 HG2 ARG 78 HG2 ARG 78 -0.718 -6.007 6.561 626 HG3 ARG 78 HG1 ARG 78 0.965 -6.545 6.634 627 HD2 ARG 78 HD2 ARG 78 -1.470 -8.015 7.700 628 HD3 ARG 78 HD1 ARG 78 -0.502 -8.457 6.295 629 HE ARG 78 HE ARG 78 1.377 -8.625 8.109 630 HH11 ARG 78 HH11 ARG 78 -1.967 -9.680 8.554 631 HH12 ARG 78 HH12 ARG 78 -1.537 -10.929 9.675 632 HH21 ARG 78 HH21 ARG 78 1.891 -10.266 9.599 633 HH22 ARG 78 HH22 ARG 78 0.631 -11.252 10.267 634 H LYS 79 HN LYS 79 -1.279 -3.512 10.267 635 HA LYS 79 HA LYS 79 0.403 -3.596 12.579 636 HB2 LYS 79 HB2 LYS 79 -1.545 -1.452 11.630 637 HB3 LYS 79 HB1 LYS 79 -0.425 -1.240 12.975 638 HG2 LYS 79 HG2 LYS 79 0.318 -1.736 10.074 639 HG3 LYS 79 HG1 LYS 79 0.456 -0.204 10.944 640 HD2 LYS 79 HD2 LYS 79 2.178 -1.123 12.394 641 HD3 LYS 79 HD1 LYS 79 1.947 -2.744 11.735 642 HE2 LYS 79 HE2 LYS 79 2.816 -2.031 9.578 643 HE3 LYS 79 HE1 LYS 79 2.938 -0.362 10.145 644 HZ1 LYS 79 HZ1 LYS 79 4.437 -2.661 11.268 645 HZ2 LYS 79 HZ2 LYS 79 4.571 -1.048 11.755 646 HZ3 LYS 79 HZ3 LYS 79 5.055 -1.503 10.205 647 H LEU 80 HN LEU 80 -2.973 -4.249 12.098 648 HA LEU 80 HA LEU 80 -3.761 -4.223 14.831 649 HB2 LEU 80 HB2 LEU 80 -4.843 -5.505 12.328 650 HB3 LEU 80 HB1 LEU 80 -5.387 -6.152 13.862 651 HG LEU 80 HG LEU 80 -6.999 -4.525 13.023 652 HD11 LEU 80 HD11 LEU 80 -6.730 -4.730 15.447 653 HD12 LEU 80 HD12 LEU 80 -7.202 -3.100 14.983 654 HD13 LEU 80 HD13 LEU 80 -5.528 -3.432 15.441 655 HD21 LEU 80 HD21 LEU 80 -6.484 -2.145 12.770 656 HD22 LEU 80 HD22 LEU 80 -5.519 -3.120 11.664 657 HD23 LEU 80 HD23 LEU 80 -4.779 -2.456 13.122 658 H GLU 81 HN GLU 81 -2.203 -5.082 16.089 659 HA GLU 81 HA GLU 81 -0.717 -7.416 15.750 660 HB2 GLU 81 HB2 GLU 81 -1.643 -6.242 18.406 661 HB3 GLU 81 HB1 GLU 81 -0.239 -7.271 18.157 662 HG2 GLU 81 HG2 GLU 81 -0.565 -4.479 17.007 663 HG3 GLU 81 HG1 GLU 81 0.286 -4.849 18.504 664 H HIS 82 HN HIS 82 -3.742 -6.887 17.537 665 HA HIS 82 HA HIS 82 -4.912 -9.369 16.775 666 HB2 HIS 82 HB2 HIS 82 -5.157 -10.353 19.099 667 HB3 HIS 82 HB1 HIS 82 -3.515 -10.389 18.471 668 HD1 HIS 82 HD1 HIS 82 -5.601 -8.865 21.183 669 HD2 HIS 82 HD2 HIS 82 -1.672 -8.766 19.856 670 HE1 HIS 82 HE1 HIS 82 -4.313 -7.724 23.004 671 HE2 HIS 82 HE2 HIS 82 -1.909 -7.832 22.245 672 H HIS 83 HN HIS 83 -4.960 -6.424 18.690 673 HA HIS 83 HA HIS 83 -7.844 -6.129 18.433 674 HB2 HIS 83 HB2 HIS 83 -7.682 -7.575 20.423 675 HB3 HIS 83 HB1 HIS 83 -6.529 -6.478 21.169 676 HD1 HIS 83 HD1 HIS 83 -10.184 -6.853 20.402 677 HD2 HIS 83 HD2 HIS 83 -7.678 -4.313 22.506 678 HE1 HIS 83 HE1 HIS 83 -11.697 -5.409 21.780 679 HE2 HIS 83 HE2 HIS 83 -10.142 -4.047 23.209 680 H HIS 84 HN HIS 84 -8.503 -3.995 18.623 681 HA HIS 84 HA HIS 84 -7.039 -1.902 19.886 682 HB2 HIS 84 HB2 HIS 84 -5.623 -2.201 17.821 683 HB3 HIS 84 HB1 HIS 84 -7.030 -1.872 16.827 684 HD1 HIS 84 HD1 HIS 84 -4.206 -0.257 18.429 685 HD2 HIS 84 HD2 HIS 84 -7.976 0.937 17.147 686 HE1 HIS 84 HE1 HIS 84 -4.073 2.241 18.177 687 HE2 HIS 84 HE2 HIS 84 -6.378 2.941 17.457 688 H HIS 85 HN HIS 85 -8.986 -1.853 16.869 689 HA HIS 85 HA HIS 85 -11.471 -1.476 18.236 690 HB2 HIS 85 HB2 HIS 85 -10.462 0.859 18.389 691 HB3 HIS 85 HB1 HIS 85 -10.513 0.939 16.630 692 HD1 HIS 85 HD1 HIS 85 -12.305 2.732 16.402 693 HD2 HIS 85 HD2 HIS 85 -13.500 -0.399 18.846 694 HE1 HIS 85 HE1 HIS 85 -14.745 3.112 16.824 695 HE2 HIS 85 HE2 HIS 85 -15.372 1.344 18.497 696 H HIS 86 HN HIS 86 -11.723 -3.366 16.951 697 HA HIS 86 HA HIS 86 -13.192 -2.848 14.513 698 HB2 HIS 86 HB2 HIS 86 -10.708 -4.627 14.457 699 HB3 HIS 86 HB1 HIS 86 -12.026 -4.861 13.321 700 HD1 HIS 86 HD1 HIS 86 -12.629 -2.417 12.014 701 HD2 HIS 86 HD2 HIS 86 -8.754 -3.126 13.326 702 HE1 HIS 86 HE1 HIS 86 -11.182 -0.854 10.692 703 HE2 HIS 86 HE2 HIS 86 -8.838 -1.297 11.500 704 H HIS 87 HN HIS 87 -14.869 -4.352 14.288 705 HA HIS 87 HA HIS 87 -14.711 -6.978 15.444 706 HB2 HIS 87 HB2 HIS 87 -16.640 -6.850 16.973 707 HB3 HIS 87 HB1 HIS 87 -15.357 -5.775 17.499 708 HD1 HIS 87 HD1 HIS 87 -15.941 -3.187 16.138 709 HD2 HIS 87 HD2 HIS 87 -18.986 -5.649 17.513 710 HE1 HIS 87 HE1 HIS 87 -17.940 -1.695 16.417 711 HE2 HIS 87 HE2 HIS 87 -19.805 -3.252 17.050 712 H282 PNS 88 H282 PNS 88 7.552 11.252 -9.935 713 H281 PNS 88 H281 PNS 88 7.716 11.014 -11.679 714 H303 PNS 88 H303 PNS 88 5.162 10.647 -11.828 715 H302 PNS 88 H302 PNS 88 4.389 9.500 -10.728 716 H301 PNS 88 H301 PNS 88 5.129 10.973 -10.089 717 H313 PNS 88 H313 PNS 88 6.402 9.450 -8.515 718 H312 PNS 88 H312 PNS 88 5.776 7.988 -9.277 719 H311 PNS 88 H311 PNS 88 7.523 8.239 -9.142 720 H32 PNS 88 H32 PNS 88 6.692 8.898 -12.810 721 H33 PNS 88 H33 PNS 88 7.952 6.815 -11.699 722 H36 PNS 88 H36 PNS 88 4.326 8.511 -12.624 723 H372 PNS 88 H372 PNS 88 2.539 7.143 -12.914 724 H371 PNS 88 H371 PNS 88 3.628 5.756 -12.768 725 H382 PNS 88 H382 PNS 88 2.018 5.693 -10.960 726 H381 PNS 88 H381 PNS 88 3.619 6.041 -10.320 727 H41 PNS 88 H41 PNS 88 2.132 6.619 -8.485 728 H422 PNS 88 H422 PNS 88 2.174 9.279 -7.832 729 H421 PNS 88 H421 PNS 88 0.561 9.005 -8.493 730 H431 PNS 88 H431 PNS 88 0.187 7.219 -6.839 731 H432 PNS 88 H432 PNS 88 0.569 8.745 -6.037 732 H44 PNS 88 H44 PNS 88 2.725 6.126 -6.536 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -12.510 1.874 8.125 2 H2 MET 1 HT2 MET 1 -12.051 0.466 7.322 3 H3 MET 1 HT3 MET 1 -12.754 1.740 6.461 4 HA MET 1 HA MET 1 -10.166 1.822 7.870 5 HB2 MET 1 HB2 MET 1 -9.150 1.897 5.592 6 HB3 MET 1 HB1 MET 1 -10.006 0.392 5.890 7 HG2 MET 1 HG2 MET 1 -11.867 1.133 4.505 8 HG3 MET 1 HG1 MET 1 -11.119 2.718 4.301 9 HE1 MET 1 HE1 MET 1 -11.306 2.644 1.687 10 HE2 MET 1 HE2 MET 1 -12.121 1.081 1.777 11 HE3 MET 1 HE3 MET 1 -10.752 1.300 0.688 12 HA PRO 2 HA PRO 2 -10.970 6.299 7.279 13 HB2 PRO 2 HB2 PRO 2 -9.352 7.229 9.185 14 HB3 PRO 2 HB1 PRO 2 -10.743 6.231 9.636 15 HG2 PRO 2 HG2 PRO 2 -7.834 5.492 9.527 16 HG3 PRO 2 HG1 PRO 2 -9.091 4.937 10.651 17 HD2 PRO 2 HD2 PRO 2 -8.184 3.582 8.279 18 HD3 PRO 2 HD1 PRO 2 -9.554 3.121 9.315 19 H THR 3 HN THR 3 -9.478 5.140 5.266 20 HA THR 3 HA THR 3 -6.704 5.627 5.230 21 HB THR 3 HB THR 3 -6.924 5.094 2.735 22 HG1 THR 3 HG1 THR 3 -8.923 4.686 1.928 23 HG21 THR 3 HG21 THR 3 -8.227 3.155 4.684 24 HG22 THR 3 HG22 THR 3 -6.492 3.316 4.400 25 HG23 THR 3 HG23 THR 3 -7.547 2.737 3.110 26 H LEU 4 HN LEU 4 -8.953 7.139 2.830 27 HA LEU 4 HA LEU 4 -7.155 9.248 2.184 28 HB2 LEU 4 HB2 LEU 4 -10.156 9.087 1.705 29 HB3 LEU 4 HB1 LEU 4 -9.092 10.279 0.976 30 HG LEU 4 HG LEU 4 -8.984 7.278 0.476 31 HD11 LEU 4 HD11 LEU 4 -10.943 8.319 -0.569 32 HD12 LEU 4 HD12 LEU 4 -9.772 7.800 -1.778 33 HD13 LEU 4 HD13 LEU 4 -9.903 9.511 -1.360 34 HD21 LEU 4 HD21 LEU 4 -7.314 7.795 -1.260 35 HD22 LEU 4 HD22 LEU 4 -6.739 8.269 0.333 36 HD23 LEU 4 HD23 LEU 4 -7.333 9.496 -0.786 37 H ASP 5 HN ASP 5 -9.755 8.946 4.535 38 HA ASP 5 HA ASP 5 -10.181 11.565 5.370 39 HB2 ASP 5 HB2 ASP 5 -10.040 9.126 7.202 40 HB3 ASP 5 HB1 ASP 5 -10.903 10.628 7.531 41 H ALA 6 HN ALA 6 -7.626 9.315 6.375 42 HA ALA 6 HA ALA 6 -6.346 11.236 8.155 43 HB1 ALA 6 HB1 ALA 6 -4.805 9.394 8.669 44 HB2 ALA 6 HB2 ALA 6 -5.507 8.423 7.367 45 HB3 ALA 6 HB3 ALA 6 -6.484 8.852 8.774 46 H LEU 7 HN LEU 7 -5.894 9.994 4.869 47 HA LEU 7 HA LEU 7 -3.153 10.807 4.585 48 HB2 LEU 7 HB2 LEU 7 -5.202 10.046 2.471 49 HB3 LEU 7 HB1 LEU 7 -3.520 10.410 2.112 50 HG LEU 7 HG LEU 7 -4.582 8.039 3.697 51 HD11 LEU 7 HD11 LEU 7 -3.569 6.703 1.894 52 HD12 LEU 7 HD12 LEU 7 -3.092 8.183 1.054 53 HD13 LEU 7 HD13 LEU 7 -4.803 7.803 1.282 54 HD21 LEU 7 HD21 LEU 7 -2.534 8.801 4.790 55 HD22 LEU 7 HD22 LEU 7 -1.677 8.823 3.245 56 HD23 LEU 7 HD23 LEU 7 -2.235 7.292 3.930 57 H THR 8 HN THR 8 -6.282 12.332 3.819 58 HA THR 8 HA THR 8 -5.387 14.176 1.932 59 HB THR 8 HB THR 8 -7.811 14.453 3.747 60 HG1 THR 8 HG1 THR 8 -8.559 12.967 2.473 61 HG21 THR 8 HG21 THR 8 -8.720 15.977 2.032 62 HG22 THR 8 HG22 THR 8 -7.193 15.906 1.149 63 HG23 THR 8 HG23 THR 8 -7.251 16.643 2.752 64 HA PRO 9 HA PRO 9 -4.704 17.552 5.431 65 HB2 PRO 9 HB2 PRO 9 -4.173 15.861 7.855 66 HB3 PRO 9 HB1 PRO 9 -5.048 17.396 7.720 67 HG2 PRO 9 HG2 PRO 9 -6.389 15.120 8.082 68 HG3 PRO 9 HG1 PRO 9 -7.018 16.356 6.970 69 HD2 PRO 9 HD2 PRO 9 -5.497 13.816 6.313 70 HD3 PRO 9 HD1 PRO 9 -6.975 14.466 5.557 71 H ILE 10 HN ILE 10 -3.055 14.425 5.411 72 HA ILE 10 HA ILE 10 -0.421 15.390 6.080 73 HB ILE 10 HB ILE 10 -1.196 12.813 4.621 74 HG12 ILE 10 HG12 ILE 10 -0.585 13.305 7.574 75 HG13 ILE 10 HG11 ILE 10 -2.169 12.945 6.898 76 HG21 ILE 10 HG21 ILE 10 1.067 11.977 5.238 77 HG22 ILE 10 HG22 ILE 10 1.469 13.553 5.920 78 HG23 ILE 10 HG23 ILE 10 1.174 13.394 4.188 79 HD11 ILE 10 HD11 ILE 10 0.204 11.078 6.934 80 HD12 ILE 10 HD12 ILE 10 -1.385 10.714 6.257 81 HD13 ILE 10 HD13 ILE 10 -1.208 11.006 7.984 82 H PHE 11 HN PHE 11 -2.161 14.720 3.037 83 HA PHE 11 HA PHE 11 -0.081 15.468 1.246 84 HB2 PHE 11 HB2 PHE 11 -3.079 15.146 0.961 85 HB3 PHE 11 HB1 PHE 11 -2.151 15.852 -0.355 86 HD1 PHE 11 HD2 PHE 11 -1.913 12.825 1.897 87 HD2 PHE 11 HD1 PHE 11 -1.546 14.399 -2.062 88 HE1 PHE 11 HE2 PHE 11 -1.418 10.576 1.046 89 HE2 PHE 11 HE1 PHE 11 -1.055 12.148 -2.899 90 HZ PHE 11 HZ PHE 11 -0.991 10.234 -1.356 91 H ARG 12 HN ARG 12 -2.796 17.251 2.705 92 HA ARG 12 HA ARG 12 -2.416 19.725 1.416 93 HB2 ARG 12 HB2 ARG 12 -3.607 19.093 4.149 94 HB3 ARG 12 HB1 ARG 12 -3.686 20.682 3.390 95 HG2 ARG 12 HG2 ARG 12 -4.973 19.691 1.500 96 HG3 ARG 12 HG1 ARG 12 -4.936 18.129 2.317 97 HD2 ARG 12 HD2 ARG 12 -6.199 19.101 4.216 98 HD3 ARG 12 HD1 ARG 12 -6.240 20.662 3.381 99 HE ARG 12 HE ARG 12 -7.312 18.448 1.867 100 HH11 ARG 12 HH11 ARG 12 -8.126 21.061 4.040 101 HH12 ARG 12 HH12 ARG 12 -9.811 21.020 3.646 102 HH21 ARG 12 HH21 ARG 12 -9.488 18.426 1.318 103 HH22 ARG 12 HH22 ARG 12 -10.586 19.526 2.084 104 H GLN 13 HN GLN 13 -0.721 18.228 4.096 105 HA GLN 13 HA GLN 13 0.642 20.654 4.923 106 HB2 GLN 13 HB2 GLN 13 0.077 18.828 6.529 107 HB3 GLN 13 HB1 GLN 13 1.164 17.740 5.664 108 HG2 GLN 13 HG2 GLN 13 3.072 19.263 6.224 109 HG3 GLN 13 HG1 GLN 13 1.959 20.272 7.145 110 HE21 GLN 13 HE21 GLN 13 3.635 17.205 7.046 111 HE22 GLN 13 HE22 GLN 13 3.359 16.789 8.701 112 H VAL 14 HN VAL 14 1.744 17.531 3.505 113 HA VAL 14 HA VAL 14 4.444 18.168 3.133 114 HB VAL 14 HB VAL 14 2.721 16.129 1.642 115 HG11 VAL 14 HG11 VAL 14 4.727 16.599 0.288 116 HG12 VAL 14 HG12 VAL 14 4.833 14.985 0.993 117 HG13 VAL 14 HG13 VAL 14 5.768 16.314 1.690 118 HG21 VAL 14 HG21 VAL 14 2.846 15.737 4.076 119 HG22 VAL 14 HG22 VAL 14 4.609 15.763 4.005 120 HG23 VAL 14 HG23 VAL 14 3.711 14.475 3.194 121 H PHE 15 HN PHE 15 1.725 18.439 0.883 122 HA PHE 15 HA PHE 15 3.390 19.566 -1.242 123 HB2 PHE 15 HB2 PHE 15 0.408 18.918 -1.196 124 HB3 PHE 15 HB1 PHE 15 1.317 19.449 -2.610 125 HD1 PHE 15 HD1 PHE 15 0.736 16.630 -0.302 126 HD2 PHE 15 HD2 PHE 15 2.863 17.936 -3.763 127 HE1 PHE 15 HE1 PHE 15 1.357 14.316 -0.785 128 HE2 PHE 15 HE2 PHE 15 3.479 15.615 -4.233 129 HZ PHE 15 HZ PHE 15 2.734 13.799 -2.756 130 H ASP 16 HN ASP 16 1.436 20.658 1.366 131 HA ASP 16 HA ASP 16 0.602 22.614 2.081 132 HB2 ASP 16 HB2 ASP 16 2.912 23.388 1.994 133 HB3 ASP 16 HB1 ASP 16 2.764 23.770 0.280 134 H ASP 17 HN ASP 17 -1.417 22.155 1.140 135 HA ASP 17 HA ASP 17 -2.505 24.200 -0.476 136 HB2 ASP 17 HB2 ASP 17 -1.317 22.850 -2.279 137 HB3 ASP 17 HB1 ASP 17 -2.325 21.469 -1.865 138 H ASP 18 HN ASP 18 -4.313 24.399 0.753 139 HA ASP 18 HA ASP 18 -5.600 22.239 2.134 140 HB2 ASP 18 HB2 ASP 18 -5.566 24.520 3.055 141 HB3 ASP 18 HB1 ASP 18 -6.485 25.117 1.680 142 H SER 19 HN SER 19 -5.895 23.388 -1.087 143 HA SER 19 HA SER 19 -8.710 22.712 -1.444 144 HB2 SER 19 HB2 SER 19 -6.584 23.474 -3.491 145 HB3 SER 19 HB1 SER 19 -8.309 23.303 -3.829 146 HG SER 19 HG SER 19 -7.060 25.174 -2.104 147 H ILE 20 HN ILE 20 -5.827 20.906 -1.277 148 HA ILE 20 HA ILE 20 -6.360 18.787 -3.077 149 HB ILE 20 HB ILE 20 -4.862 18.754 -0.416 150 HG12 ILE 20 HG12 ILE 20 -3.842 18.804 -3.292 151 HG13 ILE 20 HG11 ILE 20 -3.812 20.161 -2.172 152 HG21 ILE 20 HG21 ILE 20 -4.976 16.547 -2.510 153 HG22 ILE 20 HG22 ILE 20 -5.641 16.465 -0.877 154 HG23 ILE 20 HG23 ILE 20 -3.897 16.570 -1.114 155 HD11 ILE 20 HD11 ILE 20 -1.622 19.175 -2.396 156 HD12 ILE 20 HD12 ILE 20 -2.240 17.592 -1.923 157 HD13 ILE 20 HD13 ILE 20 -2.221 18.919 -0.755 158 H VAL 21 HN VAL 21 -8.255 17.802 -3.111 159 HA VAL 21 HA VAL 21 -9.436 16.620 -0.669 160 HB VAL 21 HB VAL 21 -10.862 17.441 -3.252 161 HG11 VAL 21 HG11 VAL 21 -12.966 16.824 -2.089 162 HG12 VAL 21 HG12 VAL 21 -12.027 16.247 -0.710 163 HG13 VAL 21 HG13 VAL 21 -11.892 15.431 -2.270 164 HG21 VAL 21 HG21 VAL 21 -10.276 19.423 -1.910 165 HG22 VAL 21 HG22 VAL 21 -11.051 18.709 -0.492 166 HG23 VAL 21 HG23 VAL 21 -12.023 19.159 -1.895 167 H LEU 22 HN LEU 22 -8.557 14.578 -0.726 168 HA LEU 22 HA LEU 22 -7.622 13.383 -3.143 169 HB2 LEU 22 HB2 LEU 22 -7.877 12.277 -0.326 170 HB3 LEU 22 HB1 LEU 22 -7.134 11.396 -1.656 171 HG LEU 22 HG LEU 22 -6.124 14.014 -0.464 172 HD11 LEU 22 HD11 LEU 22 -4.235 12.691 0.324 173 HD12 LEU 22 HD12 LEU 22 -4.949 11.223 -0.343 174 HD13 LEU 22 HD13 LEU 22 -5.750 12.073 0.980 175 HD21 LEU 22 HD21 LEU 22 -4.176 13.750 -1.977 176 HD22 LEU 22 HD22 LEU 22 -5.672 13.975 -2.877 177 HD23 LEU 22 HD23 LEU 22 -4.959 12.365 -2.747 178 H THR 23 HN THR 23 -8.466 11.922 -4.390 179 HA THR 23 HA THR 23 -10.857 10.377 -3.640 180 HB THR 23 HB THR 23 -11.640 10.542 -6.033 181 HG1 THR 23 HG1 THR 23 -10.738 12.286 -7.296 182 HG21 THR 23 HG21 THR 23 -11.453 13.244 -4.648 183 HG22 THR 23 HG22 THR 23 -12.689 12.021 -4.348 184 HG23 THR 23 HG23 THR 23 -12.598 12.818 -5.921 185 H ARG 24 HN ARG 24 -10.920 8.337 -4.974 186 HA ARG 24 HA ARG 24 -8.467 7.058 -4.445 187 HB2 ARG 24 HB2 ARG 24 -10.923 5.965 -5.857 188 HB3 ARG 24 HB1 ARG 24 -9.579 4.983 -5.266 189 HG2 ARG 24 HG2 ARG 24 -10.055 5.808 -2.950 190 HG3 ARG 24 HG1 ARG 24 -11.451 6.683 -3.580 191 HD2 ARG 24 HD2 ARG 24 -12.247 4.642 -2.593 192 HD3 ARG 24 HD1 ARG 24 -12.399 4.477 -4.345 193 HE ARG 24 HE ARG 24 -9.918 3.416 -3.462 194 HH11 ARG 24 HH11 ARG 24 -13.336 2.592 -3.548 195 HH12 ARG 24 HH12 ARG 24 -13.038 0.893 -3.422 196 HH21 ARG 24 HH21 ARG 24 -9.553 1.225 -3.308 197 HH22 ARG 24 HH22 ARG 24 -10.881 0.116 -3.272 198 H GLU 25 HN GLU 25 -9.730 8.285 -7.474 199 HA GLU 25 HA GLU 25 -7.537 6.969 -8.968 200 HB2 GLU 25 HB2 GLU 25 -8.735 7.515 -11.046 201 HB3 GLU 25 HB1 GLU 25 -9.730 6.568 -9.952 202 HG2 GLU 25 HG2 GLU 25 -9.971 9.573 -10.278 203 HG3 GLU 25 HG1 GLU 25 -10.927 8.410 -11.194 204 H THR 26 HN THR 26 -7.627 9.659 -7.255 205 HA THR 26 HA THR 26 -6.343 11.566 -8.970 206 HB THR 26 HB THR 26 -6.016 11.143 -5.948 207 HG1 THR 26 HG1 THR 26 -8.157 11.694 -6.880 208 HG21 THR 26 HG21 THR 26 -5.307 13.588 -7.626 209 HG22 THR 26 HG22 THR 26 -4.148 12.509 -6.840 210 HG23 THR 26 HG23 THR 26 -5.243 13.494 -5.863 211 H SER 27 HN SER 27 -4.216 11.500 -9.763 212 HA SER 27 HA SER 27 -2.226 9.764 -8.402 213 HB2 SER 27 HB2 SER 27 -1.298 9.141 -10.607 214 HB3 SER 27 HB1 SER 27 -2.996 8.668 -10.509 215 HG SER 27 HG SER 27 -3.548 10.341 -11.840 216 H ALA 28 HN ALA 28 0.062 10.381 -9.513 217 HA ALA 28 HA ALA 28 0.709 13.019 -8.807 218 HB1 ALA 28 HB1 ALA 28 2.919 12.540 -9.734 219 HB2 ALA 28 HB2 ALA 28 2.284 11.116 -10.564 220 HB3 ALA 28 HB3 ALA 28 2.321 11.168 -8.801 221 H ASN 29 HN ASN 29 -0.582 11.816 -11.806 222 HA ASN 29 HA ASN 29 0.147 14.088 -13.430 223 HB2 ASN 29 HB2 ASN 29 -0.448 11.926 -14.484 224 HB3 ASN 29 HB1 ASN 29 -2.068 12.021 -13.805 225 HD21 ASN 29 HD21 ASN 29 -3.576 13.429 -14.741 226 HD22 ASN 29 HD22 ASN 29 -3.321 14.183 -16.275 227 H ASP 30 HN ASP 30 -2.541 13.207 -11.297 228 HA ASP 30 HA ASP 30 -4.255 15.416 -12.052 229 HB2 ASP 30 HB2 ASP 30 -4.480 13.395 -9.768 230 HB3 ASP 30 HB1 ASP 30 -5.711 14.598 -10.167 231 H ILE 31 HN ILE 31 -1.558 15.105 -9.975 232 HA ILE 31 HA ILE 31 -2.154 17.773 -8.816 233 HB ILE 31 HB ILE 31 -0.563 15.510 -7.501 234 HG12 ILE 31 HG12 ILE 31 -3.196 16.808 -6.654 235 HG13 ILE 31 HG11 ILE 31 -3.011 15.172 -7.276 236 HG21 ILE 31 HG21 ILE 31 -1.002 18.335 -6.460 237 HG22 ILE 31 HG22 ILE 31 0.522 17.678 -7.057 238 HG23 ILE 31 HG23 ILE 31 -0.198 17.029 -5.585 239 HD11 ILE 31 HD11 ILE 31 -1.969 16.235 -4.645 240 HD12 ILE 31 HD12 ILE 31 -1.690 14.601 -5.255 241 HD13 ILE 31 HD13 ILE 31 -3.329 15.137 -4.883 242 H ASP 32 HN ASP 32 -1.009 19.112 -10.076 243 HA ASP 32 HA ASP 32 1.099 18.527 -11.804 244 HB2 ASP 32 HB2 ASP 32 0.212 21.171 -10.579 245 HB3 ASP 32 HB1 ASP 32 1.486 21.090 -11.794 246 H ALA 33 HN ALA 33 1.244 19.682 -8.469 247 HA ALA 33 HA ALA 33 4.155 20.025 -8.544 248 HB1 ALA 33 HB1 ALA 33 3.871 21.040 -6.325 249 HB2 ALA 33 HB2 ALA 33 2.161 20.589 -6.324 250 HB3 ALA 33 HB3 ALA 33 2.762 21.763 -7.499 251 H TRP 34 HN TRP 34 2.423 17.271 -8.303 252 HA TRP 34 HA TRP 34 3.832 16.102 -6.026 253 HB2 TRP 34 HB2 TRP 34 1.437 15.495 -6.709 254 HB3 TRP 34 HB1 TRP 34 2.118 14.633 -8.077 255 HD1 TRP 34 HD1 TRP 34 4.552 13.706 -5.621 256 HE1 TRP 34 HE1 TRP 34 3.919 11.565 -4.345 257 HE3 TRP 34 HE3 TRP 34 -0.416 13.494 -6.794 258 HZ2 TRP 34 HZ2 TRP 34 1.642 9.995 -3.901 259 HZ3 TRP 34 HZ3 TRP 34 -1.743 11.631 -5.914 260 HH2 TRP 34 HH2 TRP 34 -0.743 9.912 -4.490 261 H ASP 35 HN ASP 35 5.886 16.774 -7.036 262 HA ASP 35 HA ASP 35 7.076 15.420 -9.222 263 HB2 ASP 35 HB2 ASP 35 8.316 16.732 -6.760 264 HB3 ASP 35 HB1 ASP 35 9.235 16.202 -8.168 265 H SER 36 HN SER 36 8.811 13.793 -9.116 266 HA SER 36 HA SER 36 8.387 11.463 -7.707 267 HB2 SER 36 HB2 SER 36 11.195 12.299 -8.519 268 HB3 SER 36 HB1 SER 36 10.410 10.725 -8.698 269 H LEU 37 HN LEU 37 10.322 14.244 -6.865 270 HA LEU 37 HA LEU 37 11.539 13.278 -4.479 271 HB2 LEU 37 HB2 LEU 37 11.003 16.154 -5.339 272 HB3 LEU 37 HB1 LEU 37 12.058 15.672 -4.027 273 HG LEU 37 HG LEU 37 13.511 16.219 -5.786 274 HD11 LEU 37 HD11 LEU 37 14.678 14.170 -6.398 275 HD12 LEU 37 HD12 LEU 37 13.278 13.207 -5.911 276 HD13 LEU 37 HD13 LEU 37 14.171 14.143 -4.708 277 HD21 LEU 37 HD21 LEU 37 13.348 15.507 -8.098 278 HD22 LEU 37 HD22 LEU 37 11.866 16.323 -7.610 279 HD23 LEU 37 HD23 LEU 37 11.897 14.564 -7.744 280 H SER 38 HN SER 38 8.524 15.001 -5.139 281 HA SER 38 HA SER 38 7.723 15.571 -2.489 282 HB2 SER 38 HB2 SER 38 5.923 15.093 -4.905 283 HB3 SER 38 HB1 SER 38 5.529 16.025 -3.458 284 HG SER 38 HG SER 38 7.025 17.557 -4.059 285 H HIS 39 HN HIS 39 7.179 12.777 -4.623 286 HA HIS 39 HA HIS 39 5.608 11.117 -3.037 287 HB2 HIS 39 HB2 HIS 39 7.870 10.409 -4.945 288 HB3 HIS 39 HB1 HIS 39 6.956 9.161 -4.105 289 HD2 HIS 39 HD2 HIS 39 6.595 11.586 -7.086 290 HE1 HIS 39 HE1 HIS 39 3.128 9.198 -6.797 291 HE2 HIS 39 HE2 HIS 39 4.269 11.053 -8.082 292 H MET 40 HN MET 40 9.141 11.544 -2.927 293 HA MET 40 HA MET 40 9.725 9.542 -1.017 294 HB2 MET 40 HB2 MET 40 11.236 12.086 -1.748 295 HB3 MET 40 HB1 MET 40 11.867 10.886 -0.629 296 HG2 MET 40 HG2 MET 40 11.227 10.418 -3.553 297 HG3 MET 40 HG1 MET 40 12.833 10.564 -2.843 298 HE1 MET 40 HE1 MET 40 12.853 7.291 -0.527 299 HE2 MET 40 HE2 MET 40 12.199 8.849 -0.027 300 HE3 MET 40 HE3 MET 40 13.721 8.776 -0.915 301 H ASN 41 HN ASN 41 8.995 12.970 -0.642 302 HA ASN 41 HA ASN 41 9.390 13.172 2.177 303 HB2 ASN 41 HB2 ASN 41 7.837 14.899 0.203 304 HB3 ASN 41 HB1 ASN 41 8.087 15.344 1.889 305 HD21 ASN 41 HD21 ASN 41 9.065 16.331 -0.860 306 HD22 ASN 41 HD22 ASN 41 10.753 16.590 -0.611 307 H LEU 42 HN LEU 42 6.491 12.677 0.168 308 HA LEU 42 HA LEU 42 4.560 12.704 2.237 309 HB2 LEU 42 HB2 LEU 42 4.182 13.067 -0.234 310 HB3 LEU 42 HB1 LEU 42 4.424 11.355 -0.501 311 HG LEU 42 HG LEU 42 2.015 12.205 -0.522 312 HD11 LEU 42 HD11 LEU 42 1.061 10.265 0.586 313 HD12 LEU 42 HD12 LEU 42 2.592 9.958 1.411 314 HD13 LEU 42 HD13 LEU 42 2.491 9.829 -0.347 315 HD21 LEU 42 HD21 LEU 42 2.391 12.387 2.483 316 HD22 LEU 42 HD22 LEU 42 0.867 12.557 1.609 317 HD23 LEU 42 HD23 LEU 42 2.147 13.742 1.376 318 H ILE 43 HN ILE 43 6.369 10.095 0.707 319 HA ILE 43 HA ILE 43 5.019 7.878 1.821 320 HB ILE 43 HB ILE 43 7.480 8.331 0.188 321 HG12 ILE 43 HG12 ILE 43 6.564 6.541 -1.216 322 HG13 ILE 43 HG11 ILE 43 5.411 6.099 0.032 323 HG21 ILE 43 HG21 ILE 43 8.410 6.060 0.435 324 HG22 ILE 43 HG22 ILE 43 7.322 5.767 1.789 325 HG23 ILE 43 HG23 ILE 43 8.566 7.008 1.914 326 HD11 ILE 43 HD11 ILE 43 5.419 8.675 -1.523 327 HD12 ILE 43 HD12 ILE 43 4.231 8.200 -0.306 328 HD13 ILE 43 HD13 ILE 43 4.377 7.284 -1.804 329 H VAL 44 HN VAL 44 8.054 9.525 2.802 330 HA VAL 44 HA VAL 44 8.581 7.786 4.985 331 HB VAL 44 HB VAL 44 10.246 9.443 5.728 332 HG11 VAL 44 HG11 VAL 44 11.705 9.397 3.722 333 HG12 VAL 44 HG12 VAL 44 10.310 8.970 2.728 334 HG13 VAL 44 HG13 VAL 44 10.884 7.850 3.967 335 HG21 VAL 44 HG21 VAL 44 10.642 11.550 4.469 336 HG22 VAL 44 HG22 VAL 44 9.063 11.547 5.257 337 HG23 VAL 44 HG23 VAL 44 9.181 11.244 3.523 338 H SER 45 HN SER 45 6.680 10.761 4.682 339 HA SER 45 HA SER 45 6.161 11.294 7.400 340 HB2 SER 45 HB2 SER 45 4.350 11.719 4.984 341 HB3 SER 45 HB1 SER 45 4.075 12.431 6.575 342 HG SER 45 HG SER 45 6.499 12.819 5.175 343 H LEU 46 HN LEU 46 4.459 9.141 5.101 344 HA LEU 46 HA LEU 46 2.382 8.329 6.864 345 HB2 LEU 46 HB2 LEU 46 3.498 6.768 4.502 346 HB3 LEU 46 HB1 LEU 46 1.924 6.540 5.256 347 HG LEU 46 HG LEU 46 2.829 8.910 3.578 348 HD11 LEU 46 HD11 LEU 46 2.252 6.918 2.284 349 HD12 LEU 46 HD12 LEU 46 1.078 8.203 2.024 350 HD13 LEU 46 HD13 LEU 46 0.672 6.840 3.068 351 HD21 LEU 46 HD21 LEU 46 0.565 9.843 3.884 352 HD22 LEU 46 HD22 LEU 46 1.454 9.765 5.399 353 HD23 LEU 46 HD23 LEU 46 0.201 8.573 5.057 354 H GLU 47 HN GLU 47 5.562 6.971 6.106 355 HA GLU 47 HA GLU 47 5.279 4.496 7.415 356 HB2 GLU 47 HB2 GLU 47 7.777 6.091 6.750 357 HB3 GLU 47 HB1 GLU 47 7.797 4.432 7.350 358 HG2 GLU 47 HG2 GLU 47 6.385 3.783 5.368 359 HG3 GLU 47 HG1 GLU 47 6.611 5.414 4.744 360 H VAL 48 HN VAL 48 6.776 7.544 8.600 361 HA VAL 48 HA VAL 48 7.461 6.433 11.135 362 HB VAL 48 HB VAL 48 8.048 8.720 11.814 363 HG11 VAL 48 HG11 VAL 48 9.678 7.418 10.504 364 HG12 VAL 48 HG12 VAL 48 9.822 9.137 10.147 365 HG13 VAL 48 HG13 VAL 48 9.010 8.069 9.002 366 HG21 VAL 48 HG21 VAL 48 6.880 9.639 9.158 367 HG22 VAL 48 HG22 VAL 48 7.797 10.651 10.276 368 HG23 VAL 48 HG23 VAL 48 6.231 10.002 10.759 369 H HIS 49 HN HIS 49 4.678 8.404 10.046 370 HA HIS 49 HA HIS 49 3.655 8.907 12.652 371 HB2 HIS 49 HB2 HIS 49 2.525 9.263 9.875 372 HB3 HIS 49 HB1 HIS 49 1.464 9.454 11.268 373 HD1 HIS 49 HD1 HIS 49 2.192 11.336 13.020 374 HD2 HIS 49 HD2 HIS 49 4.083 11.483 9.329 375 HE1 HIS 49 HE1 HIS 49 3.237 13.612 12.897 376 HE2 HIS 49 HE2 HIS 49 4.535 13.590 10.746 377 H TYR 50 HN TYR 50 2.621 6.543 10.160 378 HA TYR 50 HA TYR 50 0.700 5.322 11.980 379 HB2 TYR 50 HB2 TYR 50 1.583 4.457 9.197 380 HB3 TYR 50 HB1 TYR 50 0.260 3.741 10.106 381 HD1 TYR 50 HD2 TYR 50 1.309 6.666 8.134 382 HD2 TYR 50 HD1 TYR 50 -1.926 4.946 10.322 383 HE1 TYR 50 HE2 TYR 50 -0.217 8.262 7.097 384 HE2 TYR 50 HE1 TYR 50 -3.470 6.563 9.277 385 HH TYR 50 HH TYR 50 -2.604 8.454 6.586 386 H LYS 51 HN LYS 51 4.032 5.067 11.573 387 HA LYS 51 HA LYS 51 5.675 3.701 12.268 388 HB2 LYS 51 HB2 LYS 51 3.433 2.475 13.906 389 HB3 LYS 51 HB1 LYS 51 5.030 1.745 13.912 390 HG2 LYS 51 HG2 LYS 51 4.805 3.150 15.856 391 HG3 LYS 51 HG1 LYS 51 5.985 3.876 14.763 392 HD2 LYS 51 HD2 LYS 51 4.243 5.460 13.958 393 HD3 LYS 51 HD1 LYS 51 3.078 4.736 15.069 394 HE2 LYS 51 HE2 LYS 51 4.420 5.482 16.987 395 HE3 LYS 51 HE1 LYS 51 5.635 6.153 15.894 396 HZ1 LYS 51 HZ1 LYS 51 4.146 7.858 16.712 397 HZ2 LYS 51 HZ2 LYS 51 2.810 7.038 16.086 398 HZ3 LYS 51 HZ3 LYS 51 3.971 7.680 15.040 399 H ILE 52 HN ILE 52 4.278 3.191 9.788 400 HA ILE 52 HA ILE 52 4.364 0.247 9.427 401 HB ILE 52 HB ILE 52 3.072 0.648 7.328 402 HG12 ILE 52 HG12 ILE 52 3.102 3.579 8.201 403 HG13 ILE 52 HG11 ILE 52 3.828 2.917 6.740 404 HG21 ILE 52 HG21 ILE 52 1.788 1.881 9.799 405 HG22 ILE 52 HG22 ILE 52 1.874 0.159 9.424 406 HG23 ILE 52 HG23 ILE 52 0.921 1.232 8.401 407 HD11 ILE 52 HD11 ILE 52 1.581 2.367 5.898 408 HD12 ILE 52 HD12 ILE 52 1.781 4.087 6.230 409 HD13 ILE 52 HD13 ILE 52 0.876 3.076 7.356 410 H LYS 53 HN LYS 53 5.153 -0.397 7.093 411 HA LYS 53 HA LYS 53 7.329 1.278 6.053 412 HB2 LYS 53 HB2 LYS 53 8.354 -0.144 7.852 413 HB3 LYS 53 HB1 LYS 53 7.826 -1.591 7.009 414 HG2 LYS 53 HG2 LYS 53 9.655 0.384 5.620 415 HG3 LYS 53 HG1 LYS 53 10.318 -0.747 6.798 416 HD2 LYS 53 HD2 LYS 53 9.437 -2.650 5.438 417 HD3 LYS 53 HD1 LYS 53 8.813 -1.503 4.252 418 HE2 LYS 53 HE2 LYS 53 11.083 -0.768 3.719 419 HE3 LYS 53 HE1 LYS 53 11.749 -1.814 4.974 420 HZ1 LYS 53 HZ1 LYS 53 11.938 -2.774 2.761 421 HZ2 LYS 53 HZ2 LYS 53 10.255 -2.748 2.589 422 HZ3 LYS 53 HZ3 LYS 53 10.973 -3.727 3.765 423 H PHE 54 HN PHE 54 7.393 1.202 3.894 424 HA PHE 54 HA PHE 54 6.507 -1.199 2.432 425 HB2 PHE 54 HB2 PHE 54 5.776 0.745 0.605 426 HB3 PHE 54 HB1 PHE 54 4.668 -0.049 1.710 427 HD1 PHE 54 HD2 PHE 54 3.995 1.121 3.849 428 HD2 PHE 54 HD1 PHE 54 6.174 3.113 0.764 429 HE1 PHE 54 HE2 PHE 54 3.234 3.287 4.687 430 HE2 PHE 54 HE1 PHE 54 5.406 5.270 1.634 431 HZ PHE 54 HZ PHE 54 3.932 5.367 3.590 432 H ALA 55 HN ALA 55 7.345 -1.381 0.318 433 HA ALA 55 HA ALA 55 10.095 -0.329 0.033 434 HB1 ALA 55 HB1 ALA 55 8.810 -2.825 -1.165 435 HB2 ALA 55 HB2 ALA 55 9.925 -2.792 0.202 436 HB3 ALA 55 HB3 ALA 55 10.484 -2.314 -1.399 437 H LEU 56 HN LEU 56 10.761 0.180 -2.176 438 HA LEU 56 HA LEU 56 8.905 1.965 -3.469 439 HB2 LEU 56 HB2 LEU 56 11.564 2.049 -3.275 440 HB3 LEU 56 HB1 LEU 56 11.543 1.073 -4.727 441 HG LEU 56 HG LEU 56 11.930 3.507 -5.146 442 HD11 LEU 56 HD11 LEU 56 11.021 2.167 -6.959 443 HD12 LEU 56 HD12 LEU 56 10.440 3.827 -7.024 444 HD13 LEU 56 HD13 LEU 56 9.376 2.545 -6.439 445 HD21 LEU 56 HD21 LEU 56 10.551 4.431 -3.346 446 HD22 LEU 56 HD22 LEU 56 9.084 3.942 -4.199 447 HD23 LEU 56 HD23 LEU 56 10.158 5.154 -4.902 448 H GLY 57 HN GLY 57 9.933 -1.376 -3.999 449 HA2 GLY 57 HA2 GLY 57 8.858 -1.874 -6.570 450 HA3 GLY 57 HA1 GLY 57 9.038 -3.070 -5.284 451 H GLU 58 HN GLU 58 7.340 -1.845 -3.348 452 HA GLU 58 HA GLU 58 4.706 -2.600 -4.221 453 HB2 GLU 58 HB2 GLU 58 5.609 -1.215 -1.656 454 HB3 GLU 58 HB1 GLU 58 3.976 -1.816 -1.946 455 HG2 GLU 58 HG2 GLU 58 4.873 -4.113 -2.153 456 HG3 GLU 58 HG1 GLU 58 6.499 -3.510 -1.813 457 H LEU 59 HN LEU 59 6.464 0.425 -3.958 458 HA LEU 59 HA LEU 59 4.283 2.218 -4.355 459 HB2 LEU 59 HB2 LEU 59 7.280 2.446 -4.543 460 HB3 LEU 59 HB1 LEU 59 6.328 3.713 -5.277 461 HG LEU 59 HG LEU 59 7.114 4.289 -2.988 462 HD11 LEU 59 HD11 LEU 59 4.974 5.128 -2.153 463 HD12 LEU 59 HD12 LEU 59 4.114 4.079 -3.279 464 HD13 LEU 59 HD13 LEU 59 5.152 5.370 -3.886 465 HD21 LEU 59 HD21 LEU 59 6.103 3.248 -1.014 466 HD22 LEU 59 HD22 LEU 59 7.042 2.082 -1.940 467 HD23 LEU 59 HD23 LEU 59 5.278 2.063 -2.038 468 H GLN 60 HN GLN 60 6.351 0.386 -6.552 469 HA GLN 60 HA GLN 60 5.374 1.567 -8.974 470 HB2 GLN 60 HB2 GLN 60 6.633 -1.173 -8.532 471 HB3 GLN 60 HB1 GLN 60 6.408 -0.393 -10.095 472 HG2 GLN 60 HG2 GLN 60 8.253 0.499 -7.852 473 HG3 GLN 60 HG1 GLN 60 8.721 -0.166 -9.416 474 HE21 GLN 60 HE21 GLN 60 7.584 2.662 -7.723 475 HE22 GLN 60 HE22 GLN 60 7.821 3.791 -9.011 476 H LYS 61 HN LYS 61 4.157 -0.837 -6.784 477 HA LYS 61 HA LYS 61 2.055 -1.817 -8.547 478 HB2 LYS 61 HB2 LYS 61 2.673 -2.237 -5.589 479 HB3 LYS 61 HB1 LYS 61 1.224 -2.892 -6.350 480 HG2 LYS 61 HG2 LYS 61 4.075 -3.542 -7.180 481 HG3 LYS 61 HG1 LYS 61 3.035 -4.563 -6.178 482 HD2 LYS 61 HD2 LYS 61 1.396 -4.682 -8.074 483 HD3 LYS 61 HD1 LYS 61 2.519 -3.760 -9.077 484 HE2 LYS 61 HE2 LYS 61 4.159 -5.590 -8.935 485 HE3 LYS 61 HE1 LYS 61 3.084 -6.488 -7.858 486 HZ1 LYS 61 HZ1 LYS 61 1.440 -6.545 -9.641 487 HZ2 LYS 61 HZ2 LYS 61 2.889 -7.288 -10.089 488 HZ3 LYS 61 HZ3 LYS 61 2.521 -5.747 -10.673 489 H LEU 62 HN LEU 62 2.519 1.050 -6.839 490 HA LEU 62 HA LEU 62 -0.384 1.575 -6.502 491 HB2 LEU 62 HB2 LEU 62 1.914 3.410 -5.672 492 HB3 LEU 62 HB1 LEU 62 0.226 3.485 -5.170 493 HG LEU 62 HG LEU 62 2.285 1.413 -4.343 494 HD11 LEU 62 HD11 LEU 62 2.543 3.573 -3.245 495 HD12 LEU 62 HD12 LEU 62 2.035 2.328 -2.113 496 HD13 LEU 62 HD13 LEU 62 0.865 3.514 -2.695 497 HD21 LEU 62 HD21 LEU 62 0.548 0.438 -2.880 498 HD22 LEU 62 HD22 LEU 62 0.137 0.288 -4.585 499 HD23 LEU 62 HD23 LEU 62 -0.655 1.515 -3.597 500 H LYS 63 HN LYS 63 -1.355 2.734 -8.125 501 HA LYS 63 HA LYS 63 0.310 4.347 -9.969 502 HB2 LYS 63 HB2 LYS 63 -1.143 2.316 -10.772 503 HB3 LYS 63 HB1 LYS 63 -2.524 3.375 -10.535 504 HG2 LYS 63 HG2 LYS 63 -0.199 4.146 -12.319 505 HG3 LYS 63 HG1 LYS 63 -1.519 3.141 -12.911 506 HD2 LYS 63 HD2 LYS 63 -3.133 4.965 -12.410 507 HD3 LYS 63 HD1 LYS 63 -1.817 5.969 -11.802 508 HE2 LYS 63 HE2 LYS 63 -0.780 6.003 -14.021 509 HE3 LYS 63 HE1 LYS 63 -2.031 4.934 -14.646 510 HZ1 LYS 63 HZ1 LYS 63 -2.444 7.221 -15.230 511 HZ2 LYS 63 HZ2 LYS 63 -2.468 7.673 -13.604 512 HZ3 LYS 63 HZ3 LYS 63 -3.665 6.647 -14.210 513 H ASN 64 HN ASN 64 -2.239 4.414 -7.602 514 HA ASN 64 HA ASN 64 -2.650 7.326 -7.984 515 HB2 ASN 64 HB2 ASN 64 -4.894 5.287 -7.522 516 HB3 ASN 64 HB1 ASN 64 -5.093 7.038 -7.597 517 HD21 ASN 64 HD21 ASN 64 -4.491 4.137 -9.449 518 HD22 ASN 64 HD22 ASN 64 -4.803 4.831 -11.003 519 H VAL 65 HN VAL 65 -3.874 8.256 -6.098 520 HA VAL 65 HA VAL 65 -2.772 7.769 -3.566 521 HB VAL 65 HB VAL 65 -5.400 9.227 -4.132 522 HG11 VAL 65 HG11 VAL 65 -4.916 10.460 -2.034 523 HG12 VAL 65 HG12 VAL 65 -3.451 9.505 -1.796 524 HG13 VAL 65 HG13 VAL 65 -5.033 8.725 -1.729 525 HG21 VAL 65 HG21 VAL 65 -3.582 10.171 -5.520 526 HG22 VAL 65 HG22 VAL 65 -2.604 10.412 -4.074 527 HG23 VAL 65 HG23 VAL 65 -4.108 11.310 -4.281 528 H GLY 66 HN GLY 66 -5.720 6.623 -5.138 529 HA2 GLY 66 HA2 GLY 66 -6.967 5.416 -2.881 530 HA3 GLY 66 HA1 GLY 66 -7.266 5.017 -4.570 531 H ASP 67 HN ASP 67 -4.635 4.241 -5.281 532 HA ASP 67 HA ASP 67 -4.384 1.581 -4.295 533 HB2 ASP 67 HB2 ASP 67 -2.389 3.316 -5.829 534 HB3 ASP 67 HB1 ASP 67 -2.141 1.605 -5.476 535 H LEU 68 HN LEU 68 -2.701 4.636 -3.577 536 HA LEU 68 HA LEU 68 -0.877 3.615 -1.651 537 HB2 LEU 68 HB2 LEU 68 -0.497 5.719 -2.858 538 HB3 LEU 68 HB1 LEU 68 -1.940 6.417 -2.153 539 HG LEU 68 HG LEU 68 -0.862 6.403 0.091 540 HD11 LEU 68 HD11 LEU 68 1.629 5.406 -1.336 541 HD12 LEU 68 HD12 LEU 68 0.668 4.494 -0.168 542 HD13 LEU 68 HD13 LEU 68 1.538 5.938 0.345 543 HD21 LEU 68 HD21 LEU 68 0.753 7.814 -2.053 544 HD22 LEU 68 HD22 LEU 68 0.736 8.222 -0.337 545 HD23 LEU 68 HD23 LEU 68 -0.728 8.411 -1.296 546 H ALA 69 HN ALA 69 -4.200 4.655 -1.478 547 HA ALA 69 HA ALA 69 -4.419 4.956 1.373 548 HB1 ALA 69 HB1 ALA 69 -6.871 5.001 0.933 549 HB2 ALA 69 HB2 ALA 69 -6.569 4.538 -0.744 550 HB3 ALA 69 HB3 ALA 69 -5.989 6.089 -0.139 551 H ASP 70 HN ASP 70 -5.283 2.535 -0.992 552 HA ASP 70 HA ASP 70 -6.105 0.420 0.654 553 HB2 ASP 70 HB2 ASP 70 -6.461 0.509 -1.820 554 HB3 ASP 70 HB1 ASP 70 -4.732 0.307 -2.074 555 H LEU 71 HN LEU 71 -2.936 1.471 -0.433 556 HA LEU 71 HA LEU 71 -1.363 -0.713 0.423 557 HB2 LEU 71 HB2 LEU 71 -0.590 0.917 -1.212 558 HB3 LEU 71 HB1 LEU 71 -0.696 2.220 -0.060 559 HG LEU 71 HG LEU 71 1.643 1.403 -0.712 560 HD11 LEU 71 HD11 LEU 71 1.267 2.876 1.181 561 HD12 LEU 71 HD12 LEU 71 2.613 1.777 1.450 562 HD13 LEU 71 HD13 LEU 71 1.066 1.480 2.245 563 HD21 LEU 71 HD21 LEU 71 1.234 -1.008 -0.634 564 HD22 LEU 71 HD22 LEU 71 0.989 -0.927 1.116 565 HD23 LEU 71 HD23 LEU 71 2.569 -0.544 0.422 566 H VAL 72 HN VAL 72 -1.929 2.482 1.970 567 HA VAL 72 HA VAL 72 -0.628 1.969 4.414 568 HB VAL 72 HB VAL 72 -2.926 3.909 3.809 569 HG11 VAL 72 HG11 VAL 72 -2.833 3.480 6.241 570 HG12 VAL 72 HG12 VAL 72 -2.296 5.119 5.877 571 HG13 VAL 72 HG13 VAL 72 -1.110 3.868 6.256 572 HG21 VAL 72 HG21 VAL 72 -0.866 4.328 2.502 573 HG22 VAL 72 HG22 VAL 72 0.075 4.397 3.994 574 HG23 VAL 72 HG23 VAL 72 -1.155 5.623 3.667 575 H ASP 73 HN ASP 73 -3.929 1.351 3.331 576 HA ASP 73 HA ASP 73 -5.131 0.410 5.700 577 HB2 ASP 73 HB2 ASP 73 -6.598 0.918 3.919 578 HB3 ASP 73 HB1 ASP 73 -5.640 0.033 2.746 579 H LYS 74 HN LYS 74 -3.275 -1.257 3.206 580 HA LYS 74 HA LYS 74 -3.547 -3.924 4.260 581 HB2 LYS 74 HB2 LYS 74 -1.533 -2.778 2.274 582 HB3 LYS 74 HB1 LYS 74 -1.609 -4.488 2.698 583 HG2 LYS 74 HG2 LYS 74 -3.803 -2.878 1.364 584 HG3 LYS 74 HG1 LYS 74 -2.743 -4.046 0.572 585 HD2 LYS 74 HD2 LYS 74 -3.736 -5.879 1.855 586 HD3 LYS 74 HD1 LYS 74 -4.674 -4.741 2.828 587 HE2 LYS 74 HE2 LYS 74 -5.014 -5.192 -0.158 588 HE3 LYS 74 HE1 LYS 74 -6.064 -5.830 1.111 589 HZ1 LYS 74 HZ1 LYS 74 -6.979 -3.824 0.119 590 HZ2 LYS 74 HZ2 LYS 74 -5.598 -2.952 0.543 591 HZ3 LYS 74 HZ3 LYS 74 -6.615 -3.563 1.746 592 H LYS 75 HN LYS 75 -1.205 -1.321 4.702 593 HA LYS 75 HA LYS 75 0.727 -2.798 6.204 594 HB2 LYS 75 HB2 LYS 75 0.176 0.196 6.048 595 HB3 LYS 75 HB1 LYS 75 1.594 -0.525 6.807 596 HG2 LYS 75 HG2 LYS 75 0.868 -0.670 3.864 597 HG3 LYS 75 HG1 LYS 75 2.147 0.317 4.586 598 HD2 LYS 75 HD2 LYS 75 3.358 -1.694 5.274 599 HD3 LYS 75 HD1 LYS 75 2.051 -2.728 4.688 600 HE2 LYS 75 HE2 LYS 75 2.489 -1.981 2.386 601 HE3 LYS 75 HE1 LYS 75 3.772 -0.921 2.971 602 HZ1 LYS 75 HZ1 LYS 75 3.718 -3.870 3.159 603 HZ2 LYS 75 HZ2 LYS 75 4.933 -2.877 3.790 604 HZ3 LYS 75 HZ3 LYS 75 4.679 -2.947 2.121 605 H LEU 76 HN LEU 76 -2.024 -0.743 7.036 606 HA LEU 76 HA LEU 76 -1.832 -0.939 9.847 607 HB2 LEU 76 HB2 LEU 76 -4.273 -0.438 8.101 608 HB3 LEU 76 HB1 LEU 76 -4.264 -0.289 9.851 609 HG LEU 76 HG LEU 76 -2.676 1.442 7.913 610 HD11 LEU 76 HD11 LEU 76 -5.052 1.948 7.850 611 HD12 LEU 76 HD12 LEU 76 -4.158 3.265 8.606 612 HD13 LEU 76 HD13 LEU 76 -5.087 2.143 9.607 613 HD21 LEU 76 HD21 LEU 76 -2.805 1.635 10.941 614 HD22 LEU 76 HD22 LEU 76 -2.013 2.788 9.864 615 HD23 LEU 76 HD23 LEU 76 -1.405 1.139 9.984 616 H ALA 77 HN ALA 77 -3.192 -3.050 7.339 617 HA ALA 77 HA ALA 77 -4.578 -4.845 9.082 618 HB1 ALA 77 HB1 ALA 77 -4.664 -6.365 7.137 619 HB2 ALA 77 HB2 ALA 77 -3.502 -5.346 6.283 620 HB3 ALA 77 HB3 ALA 77 -5.100 -4.718 6.673 621 H ARG 78 HN ARG 78 -1.240 -4.662 7.864 622 HA ARG 78 HA ARG 78 -0.285 -7.138 8.900 623 HB2 ARG 78 HB2 ARG 78 1.348 -4.580 8.595 624 HB3 ARG 78 HB1 ARG 78 1.982 -6.218 8.710 625 HG2 ARG 78 HG2 ARG 78 0.395 -5.042 6.412 626 HG3 ARG 78 HG1 ARG 78 2.116 -5.417 6.418 627 HD2 ARG 78 HD2 ARG 78 1.566 -7.831 6.648 628 HD3 ARG 78 HD1 ARG 78 -0.157 -7.429 6.615 629 HE ARG 78 HE ARG 78 1.428 -6.525 4.330 630 HH11 ARG 78 HH11 ARG 78 -0.771 -9.009 5.533 631 HH12 ARG 78 HH12 ARG 78 -1.153 -9.591 3.944 632 HH21 ARG 78 HH21 ARG 78 0.898 -7.289 2.282 633 HH22 ARG 78 HH22 ARG 78 -0.186 -8.632 2.101 634 H LYS 79 HN LYS 79 -1.077 -4.107 10.382 635 HA LYS 79 HA LYS 79 0.167 -4.758 12.985 636 HB2 LYS 79 HB2 LYS 79 -1.425 -2.332 12.043 637 HB3 LYS 79 HB1 LYS 79 -0.801 -2.532 13.683 638 HG2 LYS 79 HG2 LYS 79 1.513 -2.706 12.696 639 HG3 LYS 79 HG1 LYS 79 0.814 -2.267 11.130 640 HD2 LYS 79 HD2 LYS 79 0.105 -0.108 11.989 641 HD3 LYS 79 HD1 LYS 79 0.556 -0.568 13.635 642 HE2 LYS 79 HE2 LYS 79 2.493 -0.229 11.323 643 HE3 LYS 79 HE1 LYS 79 2.208 0.940 12.608 644 HZ1 LYS 79 HZ1 LYS 79 2.988 -0.710 14.204 645 HZ2 LYS 79 HZ2 LYS 79 4.172 -0.324 13.065 646 HZ3 LYS 79 HZ3 LYS 79 3.326 -1.783 12.949 647 H LEU 80 HN LEU 80 -2.915 -4.749 11.370 648 HA LEU 80 HA LEU 80 -4.529 -5.032 13.790 649 HB2 LEU 80 HB2 LEU 80 -5.064 -4.417 10.890 650 HB3 LEU 80 HB1 LEU 80 -6.334 -5.275 11.726 651 HG LEU 80 HG LEU 80 -6.687 -2.796 11.624 652 HD11 LEU 80 HD11 LEU 80 -7.390 -2.511 13.944 653 HD12 LEU 80 HD12 LEU 80 -6.429 -3.915 14.418 654 HD13 LEU 80 HD13 LEU 80 -7.800 -4.108 13.326 655 HD21 LEU 80 HD21 LEU 80 -5.410 -1.289 13.094 656 HD22 LEU 80 HD22 LEU 80 -4.388 -2.001 11.855 657 HD23 LEU 80 HD23 LEU 80 -4.307 -2.608 13.507 658 H GLU 81 HN GLU 81 -2.718 -7.083 13.485 659 HA GLU 81 HA GLU 81 -4.032 -9.477 12.491 660 HB2 GLU 81 HB2 GLU 81 -1.386 -8.885 13.877 661 HB3 GLU 81 HB1 GLU 81 -1.920 -10.538 13.593 662 HG2 GLU 81 HG2 GLU 81 -1.564 -8.469 11.400 663 HG3 GLU 81 HG1 GLU 81 -0.309 -9.610 11.892 664 H HIS 82 HN HIS 82 -5.697 -8.274 14.224 665 HA HIS 82 HA HIS 82 -5.475 -9.470 16.875 666 HB2 HIS 82 HB2 HIS 82 -7.700 -7.752 15.689 667 HB3 HIS 82 HB1 HIS 82 -7.549 -8.226 17.372 668 HD1 HIS 82 HD1 HIS 82 -7.551 -5.288 15.975 669 HD2 HIS 82 HD2 HIS 82 -4.386 -7.287 17.756 670 HE1 HIS 82 HE1 HIS 82 -5.949 -3.502 16.697 671 HE2 HIS 82 HE2 HIS 82 -4.183 -4.729 17.995 672 H HIS 83 HN HIS 83 -5.415 -11.612 15.717 673 HA HIS 83 HA HIS 83 -7.855 -12.655 14.561 674 HB2 HIS 83 HB2 HIS 83 -5.273 -14.062 15.406 675 HB3 HIS 83 HB1 HIS 83 -6.615 -14.857 14.590 676 HD1 HIS 83 HD1 HIS 83 -6.578 -14.817 12.097 677 HD2 HIS 83 HD2 HIS 83 -3.996 -12.005 13.717 678 HE1 HIS 83 HE1 HIS 83 -5.274 -13.912 10.157 679 HE2 HIS 83 HE2 HIS 83 -3.706 -12.218 11.157 680 H HIS 84 HN HIS 84 -9.310 -12.141 16.225 681 HA HIS 84 HA HIS 84 -9.139 -13.264 18.884 682 HB2 HIS 84 HB2 HIS 84 -11.213 -11.616 17.418 683 HB3 HIS 84 HB1 HIS 84 -11.608 -12.366 18.959 684 HD1 HIS 84 HD1 HIS 84 -9.284 -9.775 17.472 685 HD2 HIS 84 HD2 HIS 84 -10.750 -11.003 21.154 686 HE1 HIS 84 HE1 HIS 84 -8.541 -8.026 19.112 687 HE2 HIS 84 HE2 HIS 84 -9.670 -8.673 21.267 688 H HIS 85 HN HIS 85 -9.675 -14.789 16.074 689 HA HIS 85 HA HIS 85 -10.147 -16.922 15.616 690 HB2 HIS 85 HB2 HIS 85 -10.709 -17.217 18.594 691 HB3 HIS 85 HB1 HIS 85 -10.489 -18.554 17.466 692 HD1 HIS 85 HD1 HIS 85 -8.645 -16.511 19.781 693 HD2 HIS 85 HD2 HIS 85 -7.778 -18.420 16.196 694 HE1 HIS 85 HE1 HIS 85 -6.141 -16.604 19.667 695 HE2 HIS 85 HE2 HIS 85 -5.641 -17.617 17.415 696 H HIS 86 HN HIS 86 -12.181 -14.818 15.558 697 HA HIS 86 HA HIS 86 -14.466 -16.587 15.006 698 HB2 HIS 86 HB2 HIS 86 -16.103 -15.109 15.980 699 HB3 HIS 86 HB1 HIS 86 -14.903 -15.415 17.218 700 HD1 HIS 86 HD1 HIS 86 -16.921 -12.818 16.208 701 HD2 HIS 86 HD2 HIS 86 -12.839 -13.043 16.913 702 HE1 HIS 86 HE1 HIS 86 -16.196 -10.460 16.667 703 HE2 HIS 86 HE2 HIS 86 -13.763 -10.655 17.287 704 H HIS 87 HN HIS 87 -15.623 -16.038 13.193 705 HA HIS 87 HA HIS 87 -15.987 -15.343 11.097 706 HB2 HIS 87 HB2 HIS 87 -15.067 -12.653 12.200 707 HB3 HIS 87 HB1 HIS 87 -15.716 -12.854 10.576 708 HD1 HIS 87 HD1 HIS 87 -18.180 -12.682 10.341 709 HD2 HIS 87 HD2 HIS 87 -17.060 -13.347 14.289 710 HE1 HIS 87 HE1 HIS 87 -20.290 -12.436 11.683 711 HE2 HIS 87 HE2 HIS 87 -19.605 -12.923 14.062 712 H282 PNS 88 H282 PNS 88 7.189 11.514 -10.662 713 H281 PNS 88 H281 PNS 88 7.280 11.144 -12.384 714 H303 PNS 88 H303 PNS 88 4.028 9.655 -11.267 715 H302 PNS 88 H302 PNS 88 4.737 11.208 -10.827 716 H301 PNS 88 H301 PNS 88 4.780 10.673 -12.508 717 H313 PNS 88 H313 PNS 88 5.382 8.459 -9.579 718 H312 PNS 88 H312 PNS 88 7.146 8.559 -9.571 719 H311 PNS 88 H311 PNS 88 6.183 9.945 -9.056 720 H32 PNS 88 H32 PNS 88 6.658 8.895 -13.238 721 H33 PNS 88 H33 PNS 88 7.336 6.738 -12.072 722 H36 PNS 88 H36 PNS 88 5.391 6.904 -10.524 723 H372 PNS 88 H372 PNS 88 2.814 6.415 -11.663 724 H371 PNS 88 H371 PNS 88 3.907 5.050 -11.936 725 H382 PNS 88 H382 PNS 88 2.627 4.674 -9.909 726 H381 PNS 88 H381 PNS 88 4.322 4.925 -9.498 727 H41 PNS 88 H41 PNS 88 1.306 6.826 -9.926 728 H422 PNS 88 H422 PNS 88 2.043 8.895 -8.024 729 H421 PNS 88 H421 PNS 88 0.546 8.763 -8.940 730 H431 PNS 88 H431 PNS 88 -0.148 6.918 -7.362 731 H432 PNS 88 H432 PNS 88 -0.050 8.516 -6.642 732 H44 PNS 88 H44 PNS 88 2.868 7.373 -6.117 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -13.833 3.441 7.276 2 H2 MET 1 HT2 MET 1 -13.541 1.781 7.205 3 H3 MET 1 HT3 MET 1 -13.586 2.695 5.784 4 HA MET 1 HA MET 1 -11.613 2.981 7.953 5 HB2 MET 1 HB2 MET 1 -11.319 1.753 5.173 6 HB3 MET 1 HB1 MET 1 -9.978 2.056 6.273 7 HG2 MET 1 HG2 MET 1 -10.555 -0.278 6.357 8 HG3 MET 1 HG1 MET 1 -11.013 0.463 7.896 9 HE1 MET 1 HE1 MET 1 -12.605 -1.664 8.472 10 HE2 MET 1 HE2 MET 1 -12.118 -2.411 6.948 11 HE3 MET 1 HE3 MET 1 -13.828 -2.270 7.354 12 HA PRO 2 HA PRO 2 -11.043 6.983 5.950 13 HB2 PRO 2 HB2 PRO 2 -9.267 8.021 7.649 14 HB3 PRO 2 HB1 PRO 2 -10.828 7.450 8.262 15 HG2 PRO 2 HG2 PRO 2 -8.123 6.181 8.494 16 HG3 PRO 2 HG1 PRO 2 -9.488 6.133 9.628 17 HD2 PRO 2 HD2 PRO 2 -8.789 4.166 7.614 18 HD3 PRO 2 HD1 PRO 2 -10.179 4.134 8.723 19 H THR 3 HN THR 3 -9.871 5.113 4.330 20 HA THR 3 HA THR 3 -7.038 5.100 4.236 21 HB THR 3 HB THR 3 -7.347 3.886 2.085 22 HG1 THR 3 HG1 THR 3 -9.114 4.682 1.113 23 HG21 THR 3 HG21 THR 3 -7.500 2.648 4.223 24 HG22 THR 3 HG22 THR 3 -8.566 1.961 2.999 25 HG23 THR 3 HG23 THR 3 -9.238 2.968 4.282 26 H LEU 4 HN LEU 4 -9.429 7.106 2.576 27 HA LEU 4 HA LEU 4 -7.334 8.631 1.191 28 HB2 LEU 4 HB2 LEU 4 -10.353 9.043 1.302 29 HB3 LEU 4 HB1 LEU 4 -9.239 9.996 0.331 30 HG LEU 4 HG LEU 4 -9.846 7.030 -0.053 31 HD11 LEU 4 HD11 LEU 4 -10.625 9.411 -1.774 32 HD12 LEU 4 HD12 LEU 4 -11.706 8.464 -0.751 33 HD13 LEU 4 HD13 LEU 4 -10.939 7.709 -2.145 34 HD21 LEU 4 HD21 LEU 4 -7.513 7.499 -0.647 35 HD22 LEU 4 HD22 LEU 4 -8.018 8.831 -1.691 36 HD23 LEU 4 HD23 LEU 4 -8.464 7.171 -2.095 37 H ASP 5 HN ASP 5 -9.820 9.063 3.724 38 HA ASP 5 HA ASP 5 -9.558 11.826 4.164 39 HB2 ASP 5 HB2 ASP 5 -11.550 10.638 4.871 40 HB3 ASP 5 HB1 ASP 5 -10.623 9.602 5.951 41 H ALA 6 HN ALA 6 -8.209 9.182 6.075 42 HA ALA 6 HA ALA 6 -6.928 10.681 8.089 43 HB1 ALA 6 HB1 ALA 6 -6.150 7.940 7.041 44 HB2 ALA 6 HB2 ALA 6 -7.314 8.266 8.324 45 HB3 ALA 6 HB3 ALA 6 -5.608 8.646 8.565 46 H LEU 7 HN LEU 7 -5.866 9.646 4.895 47 HA LEU 7 HA LEU 7 -3.122 10.445 5.218 48 HB2 LEU 7 HB2 LEU 7 -4.627 9.806 2.651 49 HB3 LEU 7 HB1 LEU 7 -2.883 9.950 2.822 50 HG LEU 7 HG LEU 7 -4.675 7.746 3.899 51 HD11 LEU 7 HD11 LEU 7 -3.288 6.283 2.500 52 HD12 LEU 7 HD12 LEU 7 -2.351 7.674 1.948 53 HD13 LEU 7 HD13 LEU 7 -4.065 7.546 1.545 54 HD21 LEU 7 HD21 LEU 7 -3.053 8.260 5.665 55 HD22 LEU 7 HD22 LEU 7 -1.719 8.135 4.515 56 HD23 LEU 7 HD23 LEU 7 -2.680 6.710 4.916 57 H THR 8 HN THR 8 -6.076 12.099 4.299 58 HA THR 8 HA THR 8 -5.107 13.935 2.435 59 HB THR 8 HB THR 8 -7.390 14.370 4.388 60 HG1 THR 8 HG1 THR 8 -7.191 12.539 2.644 61 HG21 THR 8 HG21 THR 8 -6.715 16.509 3.337 62 HG22 THR 8 HG22 THR 8 -8.271 15.966 2.709 63 HG23 THR 8 HG23 THR 8 -6.813 15.758 1.737 64 HA PRO 9 HA PRO 9 -4.036 17.133 6.106 65 HB2 PRO 9 HB2 PRO 9 -3.480 15.201 8.345 66 HB3 PRO 9 HB1 PRO 9 -4.216 16.810 8.408 67 HG2 PRO 9 HG2 PRO 9 -5.736 14.639 8.683 68 HG3 PRO 9 HG1 PRO 9 -6.318 16.014 7.716 69 HD2 PRO 9 HD2 PRO 9 -5.100 13.414 6.767 70 HD3 PRO 9 HD1 PRO 9 -6.533 14.272 6.156 71 H ILE 10 HN ILE 10 -2.618 13.960 5.650 72 HA ILE 10 HA ILE 10 0.109 14.619 6.301 73 HB ILE 10 HB ILE 10 -0.918 12.328 4.556 74 HG12 ILE 10 HG12 ILE 10 -1.934 12.223 6.798 75 HG13 ILE 10 HG11 ILE 10 -0.785 10.907 6.591 76 HG21 ILE 10 HG21 ILE 10 1.220 11.192 5.078 77 HG22 ILE 10 HG22 ILE 10 1.778 12.628 5.937 78 HG23 ILE 10 HG23 ILE 10 1.475 12.700 4.201 79 HD11 ILE 10 HD11 ILE 10 -0.311 13.454 8.136 80 HD12 ILE 10 HD12 ILE 10 0.855 12.142 7.927 81 HD13 ILE 10 HD13 ILE 10 -0.646 11.857 8.802 82 H PHE 11 HN PHE 11 -1.792 14.391 3.286 83 HA PHE 11 HA PHE 11 0.321 15.165 1.508 84 HB2 PHE 11 HB2 PHE 11 -2.712 15.087 1.190 85 HB3 PHE 11 HB1 PHE 11 -1.649 15.634 -0.102 86 HD1 PHE 11 HD2 PHE 11 -2.103 12.680 2.172 87 HD2 PHE 11 HD1 PHE 11 -0.958 14.047 -1.698 88 HE1 PHE 11 HE2 PHE 11 -1.859 10.357 1.434 89 HE2 PHE 11 HE1 PHE 11 -0.711 11.710 -2.421 90 HZ PHE 11 HZ PHE 11 -1.158 9.867 -0.871 91 H ARG 12 HN ARG 12 -2.357 16.912 3.100 92 HA ARG 12 HA ARG 12 -1.819 19.491 2.110 93 HB2 ARG 12 HB2 ARG 12 -3.095 18.619 4.729 94 HB3 ARG 12 HB1 ARG 12 -3.077 20.289 4.157 95 HG2 ARG 12 HG2 ARG 12 -4.377 19.597 2.155 96 HG3 ARG 12 HG1 ARG 12 -4.418 17.942 2.767 97 HD2 ARG 12 HD2 ARG 12 -5.699 18.648 4.711 98 HD3 ARG 12 HD1 ARG 12 -5.574 20.344 4.222 99 HE ARG 12 HE ARG 12 -6.728 19.006 2.103 100 HH11 ARG 12 HH11 ARG 12 -7.591 19.692 5.436 101 HH12 ARG 12 HH12 ARG 12 -9.294 19.582 5.137 102 HH21 ARG 12 HH21 ARG 12 -8.945 18.874 1.725 103 HH22 ARG 12 HH22 ARG 12 -10.069 19.124 3.025 104 H GLN 13 HN GLN 13 -0.263 17.647 4.655 105 HA GLN 13 HA GLN 13 1.169 19.838 5.835 106 HB2 GLN 13 HB2 GLN 13 0.684 17.694 7.038 107 HB3 GLN 13 HB1 GLN 13 1.754 16.843 5.935 108 HG2 GLN 13 HG2 GLN 13 2.966 17.166 7.951 109 HG3 GLN 13 HG1 GLN 13 3.643 18.294 6.780 110 HE21 GLN 13 HE21 GLN 13 3.687 18.333 9.731 111 HE22 GLN 13 HE22 GLN 13 3.030 19.863 10.194 112 H VAL 14 HN VAL 14 2.089 17.177 3.661 113 HA VAL 14 HA VAL 14 4.788 17.883 3.276 114 HB VAL 14 HB VAL 14 2.904 16.156 1.609 115 HG11 VAL 14 HG11 VAL 14 4.922 15.148 0.561 116 HG12 VAL 14 HG12 VAL 14 5.932 16.354 1.363 117 HG13 VAL 14 HG13 VAL 14 4.753 16.857 0.150 118 HG21 VAL 14 HG21 VAL 14 3.990 14.262 2.745 119 HG22 VAL 14 HG22 VAL 14 3.302 15.372 3.930 120 HG23 VAL 14 HG23 VAL 14 5.040 15.371 3.628 121 H PHE 15 HN PHE 15 1.973 18.398 1.154 122 HA PHE 15 HA PHE 15 3.561 19.891 -0.781 123 HB2 PHE 15 HB2 PHE 15 0.620 19.088 -0.900 124 HB3 PHE 15 HB1 PHE 15 1.578 19.732 -2.233 125 HD1 PHE 15 HD2 PHE 15 3.662 18.381 -2.977 126 HD2 PHE 15 HD1 PHE 15 0.567 16.728 -0.541 127 HE1 PHE 15 HE2 PHE 15 4.416 16.116 -3.529 128 HE2 PHE 15 HE1 PHE 15 1.347 14.464 -1.088 129 HZ PHE 15 HZ PHE 15 3.274 14.159 -2.584 130 H ASP 16 HN ASP 16 1.607 20.588 1.923 131 HA ASP 16 HA ASP 16 0.693 22.400 2.862 132 HB2 ASP 16 HB2 ASP 16 3.106 23.130 2.685 133 HB3 ASP 16 HB1 ASP 16 2.692 23.999 1.213 134 H ASP 17 HN ASP 17 -1.169 21.741 1.551 135 HA ASP 17 HA ASP 17 -2.334 23.962 0.101 136 HB2 ASP 17 HB2 ASP 17 -1.105 22.766 -1.709 137 HB3 ASP 17 HB1 ASP 17 -1.929 21.268 -1.285 138 H ASP 18 HN ASP 18 -4.009 24.106 1.466 139 HA ASP 18 HA ASP 18 -5.259 21.874 2.738 140 HB2 ASP 18 HB2 ASP 18 -5.023 24.113 3.806 141 HB3 ASP 18 HB1 ASP 18 -6.136 24.797 2.626 142 H SER 19 HN SER 19 -5.661 23.099 -0.375 143 HA SER 19 HA SER 19 -8.504 22.422 -0.609 144 HB2 SER 19 HB2 SER 19 -8.228 23.140 -3.011 145 HB3 SER 19 HB1 SER 19 -7.853 24.397 -1.835 146 HG SER 19 HG SER 19 -5.855 22.748 -2.957 147 H ILE 20 HN ILE 20 -5.654 20.679 -0.555 148 HA ILE 20 HA ILE 20 -6.204 18.606 -2.417 149 HB ILE 20 HB ILE 20 -4.707 18.515 0.251 150 HG12 ILE 20 HG12 ILE 20 -3.676 18.496 -2.625 151 HG13 ILE 20 HG11 ILE 20 -3.614 19.864 -1.522 152 HG21 ILE 20 HG21 ILE 20 -3.827 16.289 -0.422 153 HG22 ILE 20 HG22 ILE 20 -4.903 16.289 -1.818 154 HG23 ILE 20 HG23 ILE 20 -5.573 16.258 -0.186 155 HD11 ILE 20 HD11 ILE 20 -2.122 17.262 -1.214 156 HD12 ILE 20 HD12 ILE 20 -2.064 18.620 -0.084 157 HD13 ILE 20 HD13 ILE 20 -1.457 18.811 -1.729 158 H VAL 21 HN VAL 21 -8.207 17.770 -2.456 159 HA VAL 21 HA VAL 21 -9.261 16.461 -0.013 160 HB VAL 21 HB VAL 21 -10.853 17.583 -2.382 161 HG11 VAL 21 HG11 VAL 21 -11.857 16.070 0.060 162 HG12 VAL 21 HG12 VAL 21 -11.884 15.496 -1.609 163 HG13 VAL 21 HG13 VAL 21 -12.884 16.869 -1.133 164 HG21 VAL 21 HG21 VAL 21 -11.856 19.134 -0.732 165 HG22 VAL 21 HG22 VAL 21 -10.106 19.350 -0.830 166 HG23 VAL 21 HG23 VAL 21 -10.811 18.472 0.529 167 H LEU 22 HN LEU 22 -8.596 14.399 -0.232 168 HA LEU 22 HA LEU 22 -7.506 13.437 -2.660 169 HB2 LEU 22 HB2 LEU 22 -8.015 12.078 0.007 170 HB3 LEU 22 HB1 LEU 22 -7.247 11.249 -1.342 171 HG LEU 22 HG LEU 22 -6.152 13.706 0.099 172 HD11 LEU 22 HD11 LEU 22 -5.957 11.662 1.426 173 HD12 LEU 22 HD12 LEU 22 -4.380 12.211 0.875 174 HD13 LEU 22 HD13 LEU 22 -5.158 10.842 0.082 175 HD21 LEU 22 HD21 LEU 22 -5.560 13.793 -2.284 176 HD22 LEU 22 HD22 LEU 22 -4.930 12.145 -2.211 177 HD23 LEU 22 HD23 LEU 22 -4.140 13.437 -1.301 178 H THR 23 HN THR 23 -8.166 12.044 -4.088 179 HA THR 23 HA THR 23 -10.722 10.575 -3.799 180 HB THR 23 HB THR 23 -11.061 10.773 -6.250 181 HG1 THR 23 HG1 THR 23 -9.582 12.574 -7.195 182 HG21 THR 23 HG21 THR 23 -12.123 12.548 -4.896 183 HG22 THR 23 HG22 THR 23 -11.608 13.177 -6.460 184 HG23 THR 23 HG23 THR 23 -10.661 13.535 -5.014 185 H ARG 24 HN ARG 24 -10.581 8.567 -5.257 186 HA ARG 24 HA ARG 24 -8.131 7.209 -4.799 187 HB2 ARG 24 HB2 ARG 24 -10.593 6.437 -6.386 188 HB3 ARG 24 HB1 ARG 24 -9.176 5.397 -6.292 189 HG2 ARG 24 HG2 ARG 24 -9.428 5.487 -3.748 190 HG3 ARG 24 HG1 ARG 24 -11.006 6.232 -4.025 191 HD2 ARG 24 HD2 ARG 24 -11.202 3.786 -3.677 192 HD3 ARG 24 HD1 ARG 24 -11.731 4.255 -5.295 193 HE ARG 24 HE ARG 24 -9.782 3.308 -6.221 194 HH11 ARG 24 HH11 ARG 24 -9.959 2.679 -2.747 195 HH12 ARG 24 HH12 ARG 24 -8.730 1.452 -2.804 196 HH21 ARG 24 HH21 ARG 24 -8.179 1.708 -6.248 197 HH22 ARG 24 HH22 ARG 24 -7.732 0.915 -4.769 198 H GLU 25 HN GLU 25 -9.133 9.240 -7.437 199 HA GLU 25 HA GLU 25 -7.174 8.081 -9.312 200 HB2 GLU 25 HB2 GLU 25 -8.219 9.564 -10.971 201 HB3 GLU 25 HB1 GLU 25 -9.435 8.607 -10.128 202 HG2 GLU 25 HG2 GLU 25 -9.917 10.580 -8.674 203 HG3 GLU 25 HG1 GLU 25 -8.789 11.533 -9.636 204 H THR 26 HN THR 26 -7.115 10.419 -6.872 205 HA THR 26 HA THR 26 -5.635 12.548 -7.963 206 HB THR 26 HB THR 26 -5.525 11.401 -5.131 207 HG1 THR 26 HG1 THR 26 -7.456 12.685 -6.396 208 HG21 THR 26 HG21 THR 26 -4.740 13.650 -4.428 209 HG22 THR 26 HG22 THR 26 -4.590 14.123 -6.122 210 HG23 THR 26 HG23 THR 26 -3.574 12.836 -5.469 211 H SER 27 HN SER 27 -3.748 12.300 -9.083 212 HA SER 27 HA SER 27 -1.611 10.544 -8.012 213 HB2 SER 27 HB2 SER 27 -2.031 11.115 -10.976 214 HB3 SER 27 HB1 SER 27 -1.019 9.872 -10.241 215 HG SER 27 HG SER 27 -3.852 9.992 -10.283 216 H ALA 28 HN ALA 28 0.552 11.193 -9.016 217 HA ALA 28 HA ALA 28 1.023 14.058 -8.939 218 HB1 ALA 28 HB1 ALA 28 2.584 12.634 -7.710 219 HB2 ALA 28 HB2 ALA 28 3.419 13.339 -9.096 220 HB3 ALA 28 HB3 ALA 28 2.886 11.653 -9.146 221 H ASN 29 HN ASN 29 0.517 14.985 -11.060 222 HA ASN 29 HA ASN 29 0.452 14.253 -13.473 223 HB2 ASN 29 HB2 ASN 29 0.035 11.839 -13.010 224 HB3 ASN 29 HB1 ASN 29 -1.415 12.250 -12.109 225 HD21 ASN 29 HD21 ASN 29 -3.320 12.727 -13.233 226 HD22 ASN 29 HD22 ASN 29 -3.488 12.506 -14.938 227 H ASP 30 HN ASP 30 -2.165 13.895 -11.093 228 HA ASP 30 HA ASP 30 -3.892 15.903 -12.226 229 HB2 ASP 30 HB2 ASP 30 -4.055 14.468 -9.528 230 HB3 ASP 30 HB1 ASP 30 -5.354 15.399 -10.278 231 H ILE 31 HN ILE 31 -1.205 16.047 -10.143 232 HA ILE 31 HA ILE 31 -1.870 18.780 -9.246 233 HB ILE 31 HB ILE 31 -0.480 16.662 -7.526 234 HG12 ILE 31 HG12 ILE 31 -3.153 18.081 -7.118 235 HG13 ILE 31 HG11 ILE 31 -2.958 16.395 -7.583 236 HG21 ILE 31 HG21 ILE 31 -1.006 19.588 -6.873 237 HG22 ILE 31 HG22 ILE 31 0.573 18.874 -7.205 238 HG23 ILE 31 HG23 ILE 31 -0.326 18.394 -5.764 239 HD11 ILE 31 HD11 ILE 31 -2.162 17.631 -4.942 240 HD12 ILE 31 HD12 ILE 31 -1.927 15.941 -5.391 241 HD13 ILE 31 HD13 ILE 31 -3.556 16.598 -5.253 242 H ASP 32 HN ASP 32 -0.428 20.144 -9.994 243 HA ASP 32 HA ASP 32 1.853 19.317 -11.543 244 HB2 ASP 32 HB2 ASP 32 0.421 21.209 -12.231 245 HB3 ASP 32 HB1 ASP 32 0.844 22.092 -10.771 246 H ALA 33 HN ALA 33 1.377 20.766 -8.381 247 HA ALA 33 HA ALA 33 4.114 21.484 -7.860 248 HB1 ALA 33 HB1 ALA 33 2.206 22.663 -6.826 249 HB2 ALA 33 HB2 ALA 33 3.294 22.011 -5.602 250 HB3 ALA 33 HB3 ALA 33 1.764 21.197 -5.946 251 H TRP 34 HN TRP 34 2.688 18.483 -7.996 252 HA TRP 34 HA TRP 34 3.952 17.233 -5.685 253 HB2 TRP 34 HB2 TRP 34 1.595 16.729 -6.550 254 HB3 TRP 34 HB1 TRP 34 2.337 15.934 -7.927 255 HD1 TRP 34 HD1 TRP 34 4.621 14.533 -5.753 256 HE1 TRP 34 HE1 TRP 34 3.788 12.405 -4.594 257 HE3 TRP 34 HE3 TRP 34 -0.395 15.124 -6.435 258 HZ2 TRP 34 HZ2 TRP 34 1.362 11.110 -4.069 259 HZ3 TRP 34 HZ3 TRP 34 -1.906 13.392 -5.588 260 HH2 TRP 34 HH2 TRP 34 -1.050 11.426 -4.426 261 H ASP 35 HN ASP 35 6.064 17.989 -6.595 262 HA ASP 35 HA ASP 35 7.365 16.780 -8.818 263 HB2 ASP 35 HB2 ASP 35 8.105 18.900 -7.802 264 HB3 ASP 35 HB1 ASP 35 8.487 18.085 -6.290 265 H SER 36 HN SER 36 9.302 15.257 -8.675 266 HA SER 36 HA SER 36 9.020 12.800 -7.617 267 HB2 SER 36 HB2 SER 36 11.618 14.356 -8.008 268 HB3 SER 36 HB1 SER 36 11.565 12.637 -7.694 269 H LEU 37 HN LEU 37 10.962 15.375 -6.110 270 HA LEU 37 HA LEU 37 11.648 13.870 -3.800 271 HB2 LEU 37 HB2 LEU 37 11.921 16.809 -4.487 272 HB3 LEU 37 HB1 LEU 37 12.407 16.193 -2.921 273 HG LEU 37 HG LEU 37 14.368 16.410 -4.283 274 HD11 LEU 37 HD11 LEU 37 14.347 14.495 -2.781 275 HD12 LEU 37 HD12 LEU 37 15.302 14.163 -4.221 276 HD13 LEU 37 HD13 LEU 37 13.689 13.466 -4.059 277 HD21 LEU 37 HD21 LEU 37 13.360 16.397 -6.511 278 HD22 LEU 37 HD22 LEU 37 13.066 14.662 -6.394 279 HD23 LEU 37 HD23 LEU 37 14.720 15.278 -6.425 280 H SER 38 HN SER 38 9.117 16.183 -4.497 281 HA SER 38 HA SER 38 8.072 16.587 -1.896 282 HB2 SER 38 HB2 SER 38 6.625 16.651 -4.587 283 HB3 SER 38 HB1 SER 38 6.062 17.400 -3.090 284 HG SER 38 HG SER 38 7.164 19.070 -3.680 285 H HIS 39 HN HIS 39 7.387 14.256 -4.442 286 HA HIS 39 HA HIS 39 5.366 12.722 -3.251 287 HB2 HIS 39 HB2 HIS 39 5.937 12.632 -5.670 288 HB3 HIS 39 HB1 HIS 39 7.468 11.852 -5.290 289 HD2 HIS 39 HD2 HIS 39 7.334 9.175 -5.495 290 HE1 HIS 39 HE1 HIS 39 3.171 8.810 -4.991 291 HE2 HIS 39 HE2 HIS 39 5.297 7.592 -5.552 292 H MET 40 HN MET 40 8.898 12.408 -3.170 293 HA MET 40 HA MET 40 9.031 9.990 -1.682 294 HB2 MET 40 HB2 MET 40 11.076 12.214 -2.059 295 HB3 MET 40 HB1 MET 40 11.428 10.690 -1.250 296 HG2 MET 40 HG2 MET 40 10.645 11.065 -4.148 297 HG3 MET 40 HG1 MET 40 12.222 10.582 -3.520 298 HE1 MET 40 HE1 MET 40 11.424 6.943 -2.145 299 HE2 MET 40 HE2 MET 40 11.432 8.449 -1.225 300 HE3 MET 40 HE3 MET 40 12.698 8.131 -2.414 301 H ASN 41 HN ASN 41 8.924 13.398 -0.770 302 HA ASN 41 HA ASN 41 9.348 13.136 2.018 303 HB2 ASN 41 HB2 ASN 41 7.752 15.250 0.492 304 HB3 ASN 41 HB1 ASN 41 8.163 15.366 2.201 305 HD21 ASN 41 HD21 ASN 41 8.865 17.120 -0.034 306 HD22 ASN 41 HD22 ASN 41 10.590 17.202 -0.058 307 H LEU 42 HN LEU 42 6.467 12.870 -0.019 308 HA LEU 42 HA LEU 42 4.523 12.699 2.032 309 HB2 LEU 42 HB2 LEU 42 4.084 13.226 -0.382 310 HB3 LEU 42 HB1 LEU 42 4.431 11.563 -0.797 311 HG LEU 42 HG LEU 42 1.963 12.269 -0.709 312 HD11 LEU 42 HD11 LEU 42 1.142 10.161 0.185 313 HD12 LEU 42 HD12 LEU 42 2.696 9.860 0.963 314 HD13 LEU 42 HD13 LEU 42 2.584 9.906 -0.796 315 HD21 LEU 42 HD21 LEU 42 2.054 13.598 1.347 316 HD22 LEU 42 HD22 LEU 42 2.402 12.144 2.290 317 HD23 LEU 42 HD23 LEU 42 0.851 12.316 1.468 318 H ILE 43 HN ILE 43 6.370 10.215 0.286 319 HA ILE 43 HA ILE 43 5.093 7.949 1.392 320 HB ILE 43 HB ILE 43 7.570 8.449 -0.215 321 HG12 ILE 43 HG12 ILE 43 6.634 6.639 -1.641 322 HG13 ILE 43 HG11 ILE 43 5.374 6.340 -0.455 323 HG21 ILE 43 HG21 ILE 43 8.431 6.133 -0.032 324 HG22 ILE 43 HG22 ILE 43 7.305 5.829 1.295 325 HG23 ILE 43 HG23 ILE 43 8.587 7.029 1.480 326 HD11 ILE 43 HD11 ILE 43 4.537 7.570 -2.350 327 HD12 ILE 43 HD12 ILE 43 5.733 8.839 -2.093 328 HD13 ILE 43 HD13 ILE 43 4.461 8.569 -0.897 329 H VAL 44 HN VAL 44 8.121 9.630 2.389 330 HA VAL 44 HA VAL 44 8.616 7.885 4.590 331 HB VAL 44 HB VAL 44 10.281 9.560 5.341 332 HG11 VAL 44 HG11 VAL 44 11.804 9.349 3.400 333 HG12 VAL 44 HG12 VAL 44 10.437 8.886 2.385 334 HG13 VAL 44 HG13 VAL 44 10.937 7.839 3.714 335 HG21 VAL 44 HG21 VAL 44 9.139 11.632 4.687 336 HG22 VAL 44 HG22 VAL 44 9.332 11.219 2.982 337 HG23 VAL 44 HG23 VAL 44 10.752 11.563 3.972 338 H SER 45 HN SER 45 6.614 10.713 4.232 339 HA SER 45 HA SER 45 6.106 11.266 6.963 340 HB2 SER 45 HB2 SER 45 4.314 11.631 4.530 341 HB3 SER 45 HB1 SER 45 3.953 12.264 6.138 342 HG SER 45 HG SER 45 6.429 12.836 4.951 343 H LEU 46 HN LEU 46 4.527 9.020 4.686 344 HA LEU 46 HA LEU 46 2.572 8.011 6.489 345 HB2 LEU 46 HB2 LEU 46 3.815 6.611 4.090 346 HB3 LEU 46 HB1 LEU 46 2.301 6.166 4.871 347 HG LEU 46 HG LEU 46 2.824 8.748 3.338 348 HD11 LEU 46 HD11 LEU 46 1.125 6.357 2.562 349 HD12 LEU 46 HD12 LEU 46 2.669 6.823 1.843 350 HD13 LEU 46 HD13 LEU 46 1.267 7.872 1.662 351 HD21 LEU 46 HD21 LEU 46 0.416 9.204 3.612 352 HD22 LEU 46 HD22 LEU 46 1.258 9.160 5.157 353 HD23 LEU 46 HD23 LEU 46 0.262 7.788 4.659 354 H GLU 47 HN GLU 47 5.899 7.127 5.814 355 HA GLU 47 HA GLU 47 6.144 4.739 7.289 356 HB2 GLU 47 HB2 GLU 47 8.248 6.876 6.734 357 HB3 GLU 47 HB1 GLU 47 8.600 5.240 7.289 358 HG2 GLU 47 HG2 GLU 47 7.203 5.861 4.677 359 HG3 GLU 47 HG1 GLU 47 8.942 5.700 4.817 360 H VAL 48 HN VAL 48 6.866 8.142 8.270 361 HA VAL 48 HA VAL 48 7.677 7.365 10.907 362 HB VAL 48 HB VAL 48 7.905 9.789 11.383 363 HG11 VAL 48 HG11 VAL 48 9.736 10.242 9.776 364 HG12 VAL 48 HG12 VAL 48 9.157 8.923 8.755 365 HG13 VAL 48 HG13 VAL 48 9.780 8.579 10.369 366 HG21 VAL 48 HG21 VAL 48 6.882 10.252 8.559 367 HG22 VAL 48 HG22 VAL 48 7.555 11.484 9.629 368 HG23 VAL 48 HG23 VAL 48 6.036 10.691 10.045 369 H HIS 49 HN HIS 49 4.755 9.012 9.649 370 HA HIS 49 HA HIS 49 3.452 9.358 12.132 371 HB2 HIS 49 HB2 HIS 49 2.377 9.264 9.282 372 HB3 HIS 49 HB1 HIS 49 1.322 9.540 10.656 373 HD1 HIS 49 HD1 HIS 49 1.215 11.886 11.601 374 HD2 HIS 49 HD2 HIS 49 4.209 11.447 8.754 375 HE1 HIS 49 HE1 HIS 49 2.007 14.218 11.089 376 HE2 HIS 49 HE2 HIS 49 3.766 13.926 9.306 377 H TYR 50 HN TYR 50 2.809 6.874 9.604 378 HA TYR 50 HA TYR 50 0.894 5.549 11.410 379 HB2 TYR 50 HB2 TYR 50 1.466 5.134 8.450 380 HB3 TYR 50 HB1 TYR 50 0.221 4.281 9.355 381 HD1 TYR 50 HD1 TYR 50 -1.834 5.436 10.071 382 HD2 TYR 50 HD2 TYR 50 1.168 7.504 7.832 383 HE1 TYR 50 HE1 TYR 50 -3.416 7.259 9.633 384 HE2 TYR 50 HE2 TYR 50 -0.423 9.326 7.397 385 HH TYR 50 HH TYR 50 -2.837 9.701 7.344 386 H LYS 51 HN LYS 51 4.141 5.137 10.561 387 HA LYS 51 HA LYS 51 5.702 3.551 10.824 388 HB2 LYS 51 HB2 LYS 51 3.598 2.384 12.680 389 HB3 LYS 51 HB1 LYS 51 5.137 1.576 12.430 390 HG2 LYS 51 HG2 LYS 51 5.232 2.862 14.478 391 HG3 LYS 51 HG1 LYS 51 6.327 3.573 13.289 392 HD2 LYS 51 HD2 LYS 51 4.690 5.349 12.817 393 HD3 LYS 51 HD1 LYS 51 3.539 4.611 13.932 394 HE2 LYS 51 HE2 LYS 51 5.058 5.064 15.814 395 HE3 LYS 51 HE1 LYS 51 6.246 5.751 14.702 396 HZ1 LYS 51 HZ1 LYS 51 4.685 7.490 14.141 397 HZ2 LYS 51 HZ2 LYS 51 4.925 7.451 15.813 398 HZ3 LYS 51 HZ3 LYS 51 3.511 6.814 15.150 399 H ILE 52 HN ILE 52 3.779 3.350 8.582 400 HA ILE 52 HA ILE 52 3.517 0.440 8.137 401 HB ILE 52 HB ILE 52 1.990 1.063 6.229 402 HG12 ILE 52 HG12 ILE 52 2.300 3.901 7.316 403 HG13 ILE 52 HG11 ILE 52 2.816 3.331 5.734 404 HG21 ILE 52 HG21 ILE 52 1.126 2.116 8.950 405 HG22 ILE 52 HG22 ILE 52 1.064 0.432 8.422 406 HG23 ILE 52 HG23 ILE 52 0.046 1.640 7.637 407 HD11 ILE 52 HD11 ILE 52 -0.029 3.563 6.704 408 HD12 ILE 52 HD12 ILE 52 0.467 2.966 5.116 409 HD13 ILE 52 HD13 ILE 52 0.796 4.637 5.576 410 H LYS 53 HN LYS 53 4.537 -0.532 6.463 411 HA LYS 53 HA LYS 53 6.918 0.847 5.456 412 HB2 LYS 53 HB2 LYS 53 7.236 -1.116 6.947 413 HB3 LYS 53 HB1 LYS 53 6.288 -2.125 5.865 414 HG2 LYS 53 HG2 LYS 53 8.847 -0.803 4.918 415 HG3 LYS 53 HG1 LYS 53 8.904 -2.297 5.849 416 HD2 LYS 53 HD2 LYS 53 7.534 -3.432 4.103 417 HD3 LYS 53 HD1 LYS 53 7.472 -1.934 3.175 418 HE2 LYS 53 HE2 LYS 53 9.156 -3.430 2.234 419 HE3 LYS 53 HE1 LYS 53 9.942 -2.006 2.924 420 HZ1 LYS 53 HZ1 LYS 53 9.725 -4.675 4.202 421 HZ2 LYS 53 HZ2 LYS 53 10.439 -3.312 4.902 422 HZ3 LYS 53 HZ3 LYS 53 11.117 -4.005 3.516 423 H PHE 54 HN PHE 54 6.502 1.646 3.443 424 HA PHE 54 HA PHE 54 5.305 -0.046 1.357 425 HB2 PHE 54 HB2 PHE 54 6.386 2.823 1.199 426 HB3 PHE 54 HB1 PHE 54 5.610 1.949 -0.119 427 HD1 PHE 54 HD1 PHE 54 5.045 3.619 3.129 428 HD2 PHE 54 HD2 PHE 54 3.188 1.596 -0.165 429 HE1 PHE 54 HE1 PHE 54 2.832 4.356 3.897 430 HE2 PHE 54 HE2 PHE 54 0.988 2.359 0.622 431 HZ PHE 54 HZ PHE 54 0.813 3.735 2.651 432 H ALA 55 HN ALA 55 6.516 -1.174 0.002 433 HA ALA 55 HA ALA 55 9.439 -1.076 0.085 434 HB1 ALA 55 HB1 ALA 55 7.527 -2.986 -1.322 435 HB2 ALA 55 HB2 ALA 55 8.333 -3.280 0.221 436 HB3 ALA 55 HB3 ALA 55 9.283 -3.152 -1.259 437 H LEU 56 HN LEU 56 10.661 -0.581 -1.812 438 HA LEU 56 HA LEU 56 9.708 1.342 -3.603 439 HB2 LEU 56 HB2 LEU 56 12.145 0.684 -2.908 440 HB3 LEU 56 HB1 LEU 56 12.073 -0.485 -4.204 441 HG LEU 56 HG LEU 56 13.293 1.677 -4.733 442 HD11 LEU 56 HD11 LEU 56 12.438 1.959 -6.998 443 HD12 LEU 56 HD12 LEU 56 10.971 1.073 -6.574 444 HD13 LEU 56 HD13 LEU 56 12.535 0.257 -6.552 445 HD21 LEU 56 HD21 LEU 56 11.808 3.217 -3.534 446 HD22 LEU 56 HD22 LEU 56 10.530 2.929 -4.719 447 HD23 LEU 56 HD23 LEU 56 12.038 3.705 -5.210 448 H GLY 57 HN GLY 57 9.762 -2.199 -3.879 449 HA2 GLY 57 HA2 GLY 57 8.928 -2.532 -6.544 450 HA3 GLY 57 HA1 GLY 57 8.554 -3.617 -5.209 451 H GLU 58 HN GLU 58 7.016 -2.042 -3.568 452 HA GLU 58 HA GLU 58 4.441 -2.048 -4.797 453 HB2 GLU 58 HB2 GLU 58 5.265 -0.831 -2.120 454 HB3 GLU 58 HB1 GLU 58 3.610 -1.154 -2.634 455 HG2 GLU 58 HG2 GLU 58 4.122 -3.576 -2.703 456 HG3 GLU 58 HG1 GLU 58 5.758 -3.243 -2.130 457 H LEU 59 HN LEU 59 6.858 0.441 -4.222 458 HA LEU 59 HA LEU 59 5.355 2.789 -4.613 459 HB2 LEU 59 HB2 LEU 59 8.240 2.043 -4.609 460 HB3 LEU 59 HB1 LEU 59 7.896 3.431 -5.606 461 HG LEU 59 HG LEU 59 8.652 4.006 -3.290 462 HD11 LEU 59 HD11 LEU 59 5.857 4.926 -3.994 463 HD12 LEU 59 HD12 LEU 59 7.371 5.587 -4.621 464 HD13 LEU 59 HD13 LEU 59 6.987 5.738 -2.911 465 HD21 LEU 59 HD21 LEU 59 5.991 2.834 -2.418 466 HD22 LEU 59 HD22 LEU 59 7.107 3.750 -1.399 467 HD23 LEU 59 HD23 LEU 59 7.591 2.184 -2.049 468 H GLN 60 HN GLN 60 7.159 0.774 -6.933 469 HA GLN 60 HA GLN 60 6.430 2.255 -9.258 470 HB2 GLN 60 HB2 GLN 60 7.323 -0.644 -9.072 471 HB3 GLN 60 HB1 GLN 60 7.369 0.365 -10.512 472 HG2 GLN 60 HG2 GLN 60 9.027 0.770 -7.999 473 HG3 GLN 60 HG1 GLN 60 9.597 0.059 -9.505 474 HE21 GLN 60 HE21 GLN 60 11.226 1.608 -9.746 475 HE22 GLN 60 HE22 GLN 60 10.906 3.251 -10.159 476 H LYS 61 HN LYS 61 4.662 0.062 -7.331 477 HA LYS 61 HA LYS 61 2.629 -0.463 -9.393 478 HB2 LYS 61 HB2 LYS 61 2.986 -1.561 -6.571 479 HB3 LYS 61 HB1 LYS 61 1.646 -1.983 -7.632 480 HG2 LYS 61 HG2 LYS 61 4.574 -2.520 -8.237 481 HG3 LYS 61 HG1 LYS 61 3.427 -3.707 -7.600 482 HD2 LYS 61 HD2 LYS 61 2.056 -3.484 -9.657 483 HD3 LYS 61 HD1 LYS 61 3.191 -2.288 -10.291 484 HE2 LYS 61 HE2 LYS 61 3.921 -5.171 -9.647 485 HE3 LYS 61 HE1 LYS 61 3.503 -4.574 -11.253 486 HZ1 LYS 61 HZ1 LYS 61 5.893 -4.697 -10.910 487 HZ2 LYS 61 HZ2 LYS 61 5.789 -3.617 -9.620 488 HZ3 LYS 61 HZ3 LYS 61 5.404 -3.103 -11.179 489 H LEU 62 HN LEU 62 3.283 1.867 -7.013 490 HA LEU 62 HA LEU 62 0.511 2.580 -6.419 491 HB2 LEU 62 HB2 LEU 62 3.116 4.087 -5.881 492 HB3 LEU 62 HB1 LEU 62 1.533 4.611 -5.335 493 HG LEU 62 HG LEU 62 2.967 2.099 -4.381 494 HD11 LEU 62 HD11 LEU 62 4.102 4.125 -3.608 495 HD12 LEU 62 HD12 LEU 62 3.310 3.307 -2.265 496 HD13 LEU 62 HD13 LEU 62 2.585 4.760 -2.964 497 HD21 LEU 62 HD21 LEU 62 1.197 1.979 -2.658 498 HD22 LEU 62 HD22 LEU 62 0.542 1.808 -4.282 499 HD23 LEU 62 HD23 LEU 62 0.360 3.337 -3.418 500 H LYS 63 HN LYS 63 -0.529 3.241 -8.323 501 HA LYS 63 HA LYS 63 0.764 5.119 -10.170 502 HB2 LYS 63 HB2 LYS 63 -0.497 3.263 -11.133 503 HB3 LYS 63 HB1 LYS 63 -1.935 3.683 -10.220 504 HG2 LYS 63 HG2 LYS 63 -0.817 5.672 -12.199 505 HG3 LYS 63 HG1 LYS 63 -1.713 4.275 -12.802 506 HD2 LYS 63 HD2 LYS 63 -3.676 4.931 -11.468 507 HD3 LYS 63 HD1 LYS 63 -2.787 6.287 -10.779 508 HE2 LYS 63 HE2 LYS 63 -2.631 7.312 -13.019 509 HE3 LYS 63 HE1 LYS 63 -3.544 5.963 -13.701 510 HZ1 LYS 63 HZ1 LYS 63 -4.997 7.816 -13.279 511 HZ2 LYS 63 HZ2 LYS 63 -4.515 7.896 -11.661 512 HZ3 LYS 63 HZ3 LYS 63 -5.389 6.557 -12.218 513 H ASN 64 HN ASN 64 -1.775 5.048 -7.727 514 HA ASN 64 HA ASN 64 -1.845 7.951 -7.547 515 HB2 ASN 64 HB2 ASN 64 -4.407 7.962 -7.677 516 HB3 ASN 64 HB1 ASN 64 -3.549 7.755 -9.187 517 HD21 ASN 64 HD21 ASN 64 -4.107 5.088 -6.908 518 HD22 ASN 64 HD22 ASN 64 -5.203 4.243 -7.924 519 H VAL 65 HN VAL 65 -3.698 8.535 -5.828 520 HA VAL 65 HA VAL 65 -2.922 7.397 -3.326 521 HB VAL 65 HB VAL 65 -5.202 9.347 -3.926 522 HG11 VAL 65 HG11 VAL 65 -5.489 8.299 -1.706 523 HG12 VAL 65 HG12 VAL 65 -5.063 10.000 -1.539 524 HG13 VAL 65 HG13 VAL 65 -3.842 8.757 -1.263 525 HG21 VAL 65 HG21 VAL 65 -3.010 10.218 -4.658 526 HG22 VAL 65 HG22 VAL 65 -2.347 9.932 -3.050 527 HG23 VAL 65 HG23 VAL 65 -3.622 11.132 -3.277 528 H GLY 66 HN GLY 66 -5.377 6.582 -5.622 529 HA2 GLY 66 HA2 GLY 66 -7.107 5.043 -4.000 530 HA3 GLY 66 HA1 GLY 66 -6.777 4.764 -5.708 531 H ASP 67 HN ASP 67 -4.010 4.299 -5.576 532 HA ASP 67 HA ASP 67 -3.825 1.592 -4.707 533 HB2 ASP 67 HB2 ASP 67 -1.633 3.536 -5.568 534 HB3 ASP 67 HB1 ASP 67 -1.369 1.818 -5.261 535 H LEU 68 HN LEU 68 -2.575 4.715 -3.374 536 HA LEU 68 HA LEU 68 -1.350 3.625 -1.086 537 HB2 LEU 68 HB2 LEU 68 -2.566 6.349 -1.609 538 HB3 LEU 68 HB1 LEU 68 -2.017 5.939 0.000 539 HG LEU 68 HG LEU 68 -0.279 7.190 -0.975 540 HD11 LEU 68 HD11 LEU 68 1.633 5.697 -1.012 541 HD12 LEU 68 HD12 LEU 68 0.564 4.302 -1.179 542 HD13 LEU 68 HD13 LEU 68 0.515 5.286 0.288 543 HD21 LEU 68 HD21 LEU 68 0.773 6.738 -3.147 544 HD22 LEU 68 HD22 LEU 68 -0.950 7.065 -3.327 545 HD23 LEU 68 HD23 LEU 68 -0.357 5.406 -3.426 546 H ALA 69 HN ALA 69 -4.730 4.410 -1.752 547 HA ALA 69 HA ALA 69 -5.735 4.128 0.869 548 HB1 ALA 69 HB1 ALA 69 -7.942 3.941 -0.185 549 HB2 ALA 69 HB2 ALA 69 -7.183 3.687 -1.762 550 HB3 ALA 69 HB3 ALA 69 -6.996 5.233 -0.931 551 H ASP 70 HN ASP 70 -5.366 1.844 -1.795 552 HA ASP 70 HA ASP 70 -6.388 -0.496 -0.560 553 HB2 ASP 70 HB2 ASP 70 -4.223 -0.320 -2.692 554 HB3 ASP 70 HB1 ASP 70 -5.155 -1.762 -2.296 555 H LEU 71 HN LEU 71 -3.063 0.790 -0.801 556 HA LEU 71 HA LEU 71 -1.817 -1.483 0.375 557 HB2 LEU 71 HB2 LEU 71 -0.855 1.207 -0.570 558 HB3 LEU 71 HB1 LEU 71 0.162 0.382 0.588 559 HG LEU 71 HG LEU 71 1.027 -0.093 -1.593 560 HD11 LEU 71 HD11 LEU 71 1.089 -1.957 -0.029 561 HD12 LEU 71 HD12 LEU 71 0.951 -2.516 -1.693 562 HD13 LEU 71 HD13 LEU 71 -0.464 -2.542 -0.638 563 HD21 LEU 71 HD21 LEU 71 -0.254 -1.152 -3.396 564 HD22 LEU 71 HD22 LEU 71 -0.903 0.428 -2.962 565 HD23 LEU 71 HD23 LEU 71 -1.726 -1.037 -2.421 566 H VAL 72 HN VAL 72 -2.296 1.866 1.651 567 HA VAL 72 HA VAL 72 -1.421 1.522 4.244 568 HB VAL 72 HB VAL 72 -3.700 3.308 3.259 569 HG11 VAL 72 HG11 VAL 72 -2.177 3.487 5.880 570 HG12 VAL 72 HG12 VAL 72 -3.872 3.040 5.694 571 HG13 VAL 72 HG13 VAL 72 -3.344 4.676 5.293 572 HG21 VAL 72 HG21 VAL 72 -1.977 5.119 3.240 573 HG22 VAL 72 HG22 VAL 72 -1.575 3.817 2.120 574 HG23 VAL 72 HG23 VAL 72 -0.746 3.933 3.674 575 H ASP 73 HN ASP 73 -4.662 0.816 2.882 576 HA ASP 73 HA ASP 73 -5.963 0.046 5.286 577 HB2 ASP 73 HB2 ASP 73 -7.100 0.594 3.111 578 HB3 ASP 73 HB1 ASP 73 -6.528 -0.933 2.457 579 H LYS 74 HN LYS 74 -4.169 -1.754 2.889 580 HA LYS 74 HA LYS 74 -4.580 -4.400 3.882 581 HB2 LYS 74 HB2 LYS 74 -2.444 -3.256 2.052 582 HB3 LYS 74 HB1 LYS 74 -2.391 -4.940 2.559 583 HG2 LYS 74 HG2 LYS 74 -4.688 -3.650 1.053 584 HG3 LYS 74 HG1 LYS 74 -3.420 -4.640 0.324 585 HD2 LYS 74 HD2 LYS 74 -4.157 -6.584 1.689 586 HD3 LYS 74 HD1 LYS 74 -5.419 -5.593 2.426 587 HE2 LYS 74 HE2 LYS 74 -6.373 -6.988 0.661 588 HE3 LYS 74 HE1 LYS 74 -6.457 -5.290 0.189 589 HZ1 LYS 74 HZ1 LYS 74 -5.733 -6.633 -1.643 590 HZ2 LYS 74 HZ2 LYS 74 -4.456 -7.276 -0.741 591 HZ3 LYS 74 HZ3 LYS 74 -4.463 -5.636 -1.150 592 H LYS 75 HN LYS 75 -2.129 -1.946 4.538 593 HA LYS 75 HA LYS 75 -0.410 -3.660 6.070 594 HB2 LYS 75 HB2 LYS 75 -0.428 -0.628 5.733 595 HB3 LYS 75 HB1 LYS 75 0.857 -1.550 6.519 596 HG2 LYS 75 HG2 LYS 75 1.384 -2.699 4.452 597 HG3 LYS 75 HG1 LYS 75 0.003 -1.964 3.638 598 HD2 LYS 75 HD2 LYS 75 1.102 0.290 3.982 599 HD3 LYS 75 HD1 LYS 75 2.527 -0.564 4.599 600 HE2 LYS 75 HE2 LYS 75 1.333 -0.786 1.806 601 HE3 LYS 75 HE1 LYS 75 2.873 -0.046 2.250 602 HZ1 LYS 75 HZ1 LYS 75 2.194 -2.923 2.513 603 HZ2 LYS 75 HZ2 LYS 75 3.661 -2.217 2.969 604 HZ3 LYS 75 HZ3 LYS 75 3.203 -2.237 1.344 605 H LEU 76 HN LEU 76 -2.913 -1.239 6.780 606 HA LEU 76 HA LEU 76 -2.598 -1.235 9.609 607 HB2 LEU 76 HB2 LEU 76 -4.977 -0.482 7.880 608 HB3 LEU 76 HB1 LEU 76 -4.976 -0.310 9.629 609 HG LEU 76 HG LEU 76 -3.150 1.167 7.686 610 HD11 LEU 76 HD11 LEU 76 -5.439 2.013 7.637 611 HD12 LEU 76 HD12 LEU 76 -4.363 3.186 8.392 612 HD13 LEU 76 HD13 LEU 76 -5.437 2.206 9.392 613 HD21 LEU 76 HD21 LEU 76 -3.250 1.377 10.721 614 HD22 LEU 76 HD22 LEU 76 -2.305 2.409 9.643 615 HD23 LEU 76 HD23 LEU 76 -1.933 0.693 9.761 616 H ALA 77 HN ALA 77 -4.514 -3.192 7.379 617 HA ALA 77 HA ALA 77 -5.901 -4.822 9.200 618 HB1 ALA 77 HB1 ALA 77 -6.055 -6.465 7.358 619 HB2 ALA 77 HB2 ALA 77 -4.805 -5.585 6.474 620 HB3 ALA 77 HB3 ALA 77 -6.363 -4.823 6.783 621 H ARG 78 HN ARG 78 -2.574 -5.037 7.985 622 HA ARG 78 HA ARG 78 -1.866 -7.454 9.386 623 HB2 ARG 78 HB2 ARG 78 0.037 -5.297 8.375 624 HB3 ARG 78 HB1 ARG 78 0.433 -6.974 8.719 625 HG2 ARG 78 HG2 ARG 78 -1.362 -6.005 6.480 626 HG3 ARG 78 HG1 ARG 78 0.321 -6.488 6.301 627 HD2 ARG 78 HD2 ARG 78 -1.800 -8.387 7.359 628 HD3 ARG 78 HD1 ARG 78 -1.466 -8.198 5.636 629 HE ARG 78 HE ARG 78 0.935 -8.720 7.064 630 HH11 ARG 78 HH11 ARG 78 -1.962 -10.372 5.991 631 HH12 ARG 78 HH12 ARG 78 -1.155 -11.883 5.727 632 HH21 ARG 78 HH21 ARG 78 1.996 -10.718 6.692 633 HH22 ARG 78 HH22 ARG 78 1.079 -12.077 6.130 634 H LYS 79 HN LYS 79 -1.820 -3.987 10.151 635 HA LYS 79 HA LYS 79 -0.017 -4.012 12.323 636 HB2 LYS 79 HB2 LYS 79 -2.152 -2.026 11.478 637 HB3 LYS 79 HB1 LYS 79 -1.145 -1.749 12.893 638 HG2 LYS 79 HG2 LYS 79 -0.144 -2.059 10.046 639 HG3 LYS 79 HG1 LYS 79 -0.310 -0.538 10.927 640 HD2 LYS 79 HD2 LYS 79 1.366 -1.370 12.591 641 HD3 LYS 79 HD1 LYS 79 1.559 -2.840 11.630 642 HE2 LYS 79 HE2 LYS 79 2.410 -1.507 9.747 643 HE3 LYS 79 HE1 LYS 79 2.161 -0.020 10.672 644 HZ1 LYS 79 HZ1 LYS 79 3.943 -2.227 11.519 645 HZ2 LYS 79 HZ2 LYS 79 3.788 -0.709 12.246 646 HZ3 LYS 79 HZ3 LYS 79 4.462 -0.845 10.700 647 H LEU 80 HN LEU 80 -3.203 -5.268 12.283 648 HA LEU 80 HA LEU 80 -3.892 -4.856 15.014 649 HB2 LEU 80 HB2 LEU 80 -4.751 -6.941 12.989 650 HB3 LEU 80 HB1 LEU 80 -5.239 -7.073 14.666 651 HG LEU 80 HG LEU 80 -7.068 -6.106 13.506 652 HD11 LEU 80 HD11 LEU 80 -6.632 -5.096 15.688 653 HD12 LEU 80 HD12 LEU 80 -7.412 -3.965 14.590 654 HD13 LEU 80 HD13 LEU 80 -5.684 -3.813 14.927 655 HD21 LEU 80 HD21 LEU 80 -6.972 -4.116 12.101 656 HD22 LEU 80 HD22 LEU 80 -5.938 -5.392 11.466 657 HD23 LEU 80 HD23 LEU 80 -5.221 -4.020 12.314 658 H GLU 81 HN GLU 81 -1.971 -5.093 16.114 659 HA GLU 81 HA GLU 81 -0.625 -7.693 16.307 660 HB2 GLU 81 HB2 GLU 81 0.247 -4.964 16.458 661 HB3 GLU 81 HB1 GLU 81 0.387 -5.560 18.102 662 HG2 GLU 81 HG2 GLU 81 1.705 -6.714 15.629 663 HG3 GLU 81 HG1 GLU 81 2.496 -5.805 16.912 664 H HIS 82 HN HIS 82 0.097 -7.166 19.180 665 HA HIS 82 HA HIS 82 -2.375 -7.956 20.524 666 HB2 HIS 82 HB2 HIS 82 0.449 -7.537 21.615 667 HB3 HIS 82 HB1 HIS 82 -0.900 -8.225 22.519 668 HD1 HIS 82 HD1 HIS 82 1.764 -9.121 20.130 669 HD2 HIS 82 HD2 HIS 82 -1.774 -10.811 21.506 670 HE1 HIS 82 HE1 HIS 82 1.858 -11.529 19.446 671 HE2 HIS 82 HE2 HIS 82 -0.304 -12.532 20.254 672 H HIS 83 HN HIS 83 -2.122 -6.715 23.013 673 HA HIS 83 HA HIS 83 -2.803 -4.933 24.219 674 HB2 HIS 83 HB2 HIS 83 -1.725 -3.186 21.959 675 HB3 HIS 83 HB1 HIS 83 -2.281 -2.579 23.515 676 HD1 HIS 83 HD1 HIS 83 0.635 -4.166 21.841 677 HD2 HIS 83 HD2 HIS 83 -0.528 -3.095 25.686 678 HE1 HIS 83 HE1 HIS 83 2.721 -4.255 23.227 679 HE2 HIS 83 HE2 HIS 83 1.967 -3.770 25.579 680 H HIS 84 HN HIS 84 -3.410 -3.640 20.943 681 HA HIS 84 HA HIS 84 -5.205 -2.992 19.785 682 HB2 HIS 84 HB2 HIS 84 -6.760 -4.847 21.631 683 HB3 HIS 84 HB1 HIS 84 -7.460 -4.042 20.234 684 HD1 HIS 84 HD1 HIS 84 -6.194 -7.195 21.151 685 HD2 HIS 84 HD2 HIS 84 -5.826 -4.809 17.767 686 HE1 HIS 84 HE1 HIS 84 -5.544 -8.753 19.297 687 HE2 HIS 84 HE2 HIS 84 -5.147 -7.259 17.313 688 H HIS 85 HN HIS 85 -7.029 -1.580 19.777 689 HA HIS 85 HA HIS 85 -8.108 -0.502 22.235 690 HB2 HIS 85 HB2 HIS 85 -7.549 1.859 21.753 691 HB3 HIS 85 HB1 HIS 85 -6.096 0.912 22.020 692 HD1 HIS 85 HD1 HIS 85 -5.081 0.001 19.487 693 HD2 HIS 85 HD2 HIS 85 -7.213 3.562 19.670 694 HE1 HIS 85 HE1 HIS 85 -4.493 1.250 17.391 695 HE2 HIS 85 HE2 HIS 85 -5.974 3.284 17.427 696 H HIS 86 HN HIS 86 -10.165 -0.772 21.806 697 HA HIS 86 HA HIS 86 -12.199 -0.957 20.844 698 HB2 HIS 86 HB2 HIS 86 -11.877 1.496 20.480 699 HB3 HIS 86 HB1 HIS 86 -11.182 1.171 18.901 700 HD1 HIS 86 HD1 HIS 86 -12.855 0.376 17.017 701 HD2 HIS 86 HD2 HIS 86 -14.665 1.491 20.583 702 HE1 HIS 86 HE1 HIS 86 -15.282 0.634 16.470 703 HE2 HIS 86 HE2 HIS 86 -16.374 1.220 18.663 704 H HIS 87 HN HIS 87 -13.359 -1.646 18.732 705 HA HIS 87 HA HIS 87 -11.820 -3.649 17.341 706 HB2 HIS 87 HB2 HIS 87 -14.211 -4.021 17.956 707 HB3 HIS 87 HB1 HIS 87 -14.691 -2.726 16.862 708 HD1 HIS 87 HD1 HIS 87 -14.963 -3.321 14.424 709 HD2 HIS 87 HD2 HIS 87 -13.195 -6.367 16.626 710 HE1 HIS 87 HE1 HIS 87 -14.819 -5.282 12.864 711 HE2 HIS 87 HE2 HIS 87 -13.582 -7.047 14.160 712 H282 PNS 88 H282 PNS 88 6.845 13.171 -9.774 713 H281 PNS 88 H281 PNS 88 7.174 12.755 -11.461 714 H303 PNS 88 H303 PNS 88 4.468 10.397 -10.381 715 H302 PNS 88 H302 PNS 88 4.659 12.146 -10.279 716 H301 PNS 88 H301 PNS 88 5.022 11.321 -11.793 717 H313 PNS 88 H313 PNS 88 6.020 9.729 -8.603 718 H312 PNS 88 H312 PNS 88 7.540 10.590 -8.379 719 H311 PNS 88 H311 PNS 88 6.014 11.444 -8.167 720 H32 PNS 88 H32 PNS 88 7.697 10.412 -12.023 721 H33 PNS 88 H33 PNS 88 8.337 8.383 -10.605 722 H36 PNS 88 H36 PNS 88 5.989 8.230 -9.752 723 H372 PNS 88 H372 PNS 88 3.922 7.412 -11.494 724 H371 PNS 88 H371 PNS 88 5.260 6.262 -11.612 725 H382 PNS 88 H382 PNS 88 3.493 5.622 -9.958 726 H381 PNS 88 H381 PNS 88 5.119 5.728 -9.286 727 H41 PNS 88 H41 PNS 88 2.208 7.837 -9.768 728 H422 PNS 88 H422 PNS 88 2.816 9.478 -7.419 729 H421 PNS 88 H421 PNS 88 1.472 9.672 -8.542 730 H431 PNS 88 H431 PNS 88 0.270 7.827 -7.463 731 H432 PNS 88 H432 PNS 88 0.676 9.074 -6.289 732 H44 PNS 88 H44 PNS 88 2.539 6.242 -6.669 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -11.523 2.601 9.462 2 H2 MET 1 HT2 MET 1 -11.773 1.092 8.748 3 H3 MET 1 HT3 MET 1 -12.609 2.446 8.180 4 HA MET 1 HA MET 1 -9.689 2.053 8.062 5 HB2 MET 1 HB2 MET 1 -11.794 1.867 5.871 6 HB3 MET 1 HB1 MET 1 -10.059 1.903 5.570 7 HG2 MET 1 HG2 MET 1 -10.878 -0.370 5.445 8 HG3 MET 1 HG1 MET 1 -9.801 -0.199 6.834 9 HE1 MET 1 HE1 MET 1 -12.405 -2.862 8.082 10 HE2 MET 1 HE2 MET 1 -10.693 -2.499 7.872 11 HE3 MET 1 HE3 MET 1 -11.734 -2.700 6.460 12 HA PRO 2 HA PRO 2 -10.385 6.578 7.688 13 HB2 PRO 2 HB2 PRO 2 -8.693 7.378 9.579 14 HB3 PRO 2 HB1 PRO 2 -10.113 6.428 10.045 15 HG2 PRO 2 HG2 PRO 2 -7.242 5.578 9.842 16 HG3 PRO 2 HG1 PRO 2 -8.496 5.043 10.981 17 HD2 PRO 2 HD2 PRO 2 -7.706 3.762 8.505 18 HD3 PRO 2 HD1 PRO 2 -9.009 3.266 9.610 19 H THR 3 HN THR 3 -8.825 5.185 5.691 20 HA THR 3 HA THR 3 -6.103 5.957 5.636 21 HB THR 3 HB THR 3 -6.152 5.253 3.212 22 HG1 THR 3 HG1 THR 3 -8.900 4.702 3.775 23 HG21 THR 3 HG21 THR 3 -7.427 3.298 5.166 24 HG22 THR 3 HG22 THR 3 -5.696 3.620 5.017 25 HG23 THR 3 HG23 THR 3 -6.574 2.880 3.678 26 H LEU 4 HN LEU 4 -8.528 7.111 3.165 27 HA LEU 4 HA LEU 4 -7.028 9.356 2.404 28 HB2 LEU 4 HB2 LEU 4 -10.020 8.870 2.159 29 HB3 LEU 4 HB1 LEU 4 -9.190 10.225 1.407 30 HG LEU 4 HG LEU 4 -8.811 7.273 0.750 31 HD11 LEU 4 HD11 LEU 4 -10.870 8.220 -0.179 32 HD12 LEU 4 HD12 LEU 4 -9.708 7.865 -1.456 33 HD13 LEU 4 HD13 LEU 4 -9.953 9.534 -0.926 34 HD21 LEU 4 HD21 LEU 4 -6.645 8.385 0.577 35 HD22 LEU 4 HD22 LEU 4 -7.343 9.665 -0.419 36 HD23 LEU 4 HD23 LEU 4 -7.265 8.009 -1.029 37 H ASP 5 HN ASP 5 -9.487 8.971 4.900 38 HA ASP 5 HA ASP 5 -9.928 11.549 5.777 39 HB2 ASP 5 HB2 ASP 5 -9.565 9.094 7.545 40 HB3 ASP 5 HB1 ASP 5 -10.361 10.584 8.033 41 H ALA 6 HN ALA 6 -7.229 9.423 6.629 42 HA ALA 6 HA ALA 6 -5.905 11.500 8.236 43 HB1 ALA 6 HB1 ALA 6 -6.092 9.227 9.179 44 HB2 ALA 6 HB2 ALA 6 -4.405 9.701 8.968 45 HB3 ALA 6 HB3 ALA 6 -5.160 8.585 7.825 46 H LEU 7 HN LEU 7 -5.801 10.295 5.026 47 HA LEU 7 HA LEU 7 -3.002 10.868 4.520 48 HB2 LEU 7 HB2 LEU 7 -5.317 10.168 2.668 49 HB3 LEU 7 HB1 LEU 7 -3.740 10.613 2.044 50 HG LEU 7 HG LEU 7 -4.340 8.166 3.763 51 HD11 LEU 7 HD11 LEU 7 -5.185 7.922 1.485 52 HD12 LEU 7 HD12 LEU 7 -3.803 6.861 1.746 53 HD13 LEU 7 HD13 LEU 7 -3.606 8.355 0.823 54 HD21 LEU 7 HD21 LEU 7 -1.696 9.029 2.542 55 HD22 LEU 7 HD22 LEU 7 -2.010 7.507 3.382 56 HD23 LEU 7 HD23 LEU 7 -2.100 9.029 4.261 57 H THR 8 HN THR 8 -6.138 12.474 3.976 58 HA THR 8 HA THR 8 -5.380 14.512 2.281 59 HB THR 8 HB THR 8 -7.537 14.605 4.421 60 HG1 THR 8 HG1 THR 8 -8.393 13.225 3.064 61 HG21 THR 8 HG21 THR 8 -7.190 16.412 2.003 62 HG22 THR 8 HG22 THR 8 -7.017 16.907 3.689 63 HG23 THR 8 HG23 THR 8 -8.590 16.389 3.073 64 HA PRO 9 HA PRO 9 -4.077 17.395 6.103 65 HB2 PRO 9 HB2 PRO 9 -3.146 15.960 8.322 66 HB3 PRO 9 HB1 PRO 9 -4.742 16.714 8.204 67 HG2 PRO 9 HG2 PRO 9 -3.950 13.854 7.669 68 HG3 PRO 9 HG1 PRO 9 -5.350 14.478 8.568 69 HD2 PRO 9 HD2 PRO 9 -5.645 13.612 6.058 70 HD3 PRO 9 HD1 PRO 9 -6.513 15.071 6.601 71 H ILE 10 HN ILE 10 -2.592 14.206 5.464 72 HA ILE 10 HA ILE 10 0.138 14.988 5.915 73 HB ILE 10 HB ILE 10 -0.912 12.649 4.253 74 HG12 ILE 10 HG12 ILE 10 -1.715 12.494 6.565 75 HG13 ILE 10 HG11 ILE 10 -0.518 11.243 6.258 76 HG21 ILE 10 HG21 ILE 10 1.881 13.111 5.373 77 HG22 ILE 10 HG22 ILE 10 1.417 13.119 3.670 78 HG23 ILE 10 HG23 ILE 10 1.333 11.625 4.601 79 HD11 ILE 10 HD11 ILE 10 -0.079 13.807 7.784 80 HD12 ILE 10 HD12 ILE 10 1.148 12.581 7.459 81 HD13 ILE 10 HD13 ILE 10 -0.245 12.183 8.460 82 H PHE 11 HN PHE 11 -1.865 14.617 2.981 83 HA PHE 11 HA PHE 11 0.156 15.292 1.089 84 HB2 PHE 11 HB2 PHE 11 -2.880 15.170 0.894 85 HB3 PHE 11 HB1 PHE 11 -1.878 15.629 -0.478 86 HD1 PHE 11 HD2 PHE 11 -1.707 12.874 2.096 87 HD2 PHE 11 HD1 PHE 11 -1.725 13.920 -2.036 88 HE1 PHE 11 HE2 PHE 11 -1.494 10.507 1.503 89 HE2 PHE 11 HE1 PHE 11 -1.507 11.551 -2.617 90 HZ PHE 11 HZ PHE 11 -1.396 9.844 -0.863 91 H ARG 12 HN ARG 12 -2.496 17.107 2.600 92 HA ARG 12 HA ARG 12 -1.924 19.594 1.323 93 HB2 ARG 12 HB2 ARG 12 -3.557 18.936 3.796 94 HB3 ARG 12 HB1 ARG 12 -3.444 20.556 3.103 95 HG2 ARG 12 HG2 ARG 12 -4.358 19.655 0.956 96 HG3 ARG 12 HG1 ARG 12 -4.571 18.085 1.734 97 HD2 ARG 12 HD2 ARG 12 -6.197 19.010 3.276 98 HD3 ARG 12 HD1 ARG 12 -5.888 20.653 2.693 99 HE ARG 12 HE ARG 12 -6.626 19.296 0.456 100 HH11 ARG 12 HH11 ARG 12 -8.178 19.733 3.571 101 HH12 ARG 12 HH12 ARG 12 -9.776 19.690 2.904 102 HH21 ARG 12 HH21 ARG 12 -8.707 19.233 -0.403 103 HH22 ARG 12 HH22 ARG 12 -10.080 19.407 0.648 104 H GLN 13 HN GLN 13 -0.478 17.989 4.078 105 HA GLN 13 HA GLN 13 0.900 20.295 5.084 106 HB2 GLN 13 HB2 GLN 13 0.486 18.245 6.441 107 HB3 GLN 13 HB1 GLN 13 1.532 17.322 5.372 108 HG2 GLN 13 HG2 GLN 13 3.473 18.624 6.103 109 HG3 GLN 13 HG1 GLN 13 2.441 19.635 7.117 110 HE21 GLN 13 HE21 GLN 13 1.482 18.714 8.990 111 HE22 GLN 13 HE22 GLN 13 2.112 17.281 9.712 112 H VAL 14 HN VAL 14 1.904 17.508 3.122 113 HA VAL 14 HA VAL 14 4.534 18.220 2.562 114 HB VAL 14 HB VAL 14 2.575 16.425 1.061 115 HG11 VAL 14 HG11 VAL 14 4.240 17.108 -0.586 116 HG12 VAL 14 HG12 VAL 14 4.552 15.436 -0.117 117 HG13 VAL 14 HG13 VAL 14 5.554 16.737 0.532 118 HG21 VAL 14 HG21 VAL 14 3.855 14.572 2.109 119 HG22 VAL 14 HG22 VAL 14 3.183 15.655 3.331 120 HG23 VAL 14 HG23 VAL 14 4.897 15.747 2.919 121 H PHE 15 HN PHE 15 1.646 18.733 0.549 122 HA PHE 15 HA PHE 15 3.121 20.206 -1.478 123 HB2 PHE 15 HB2 PHE 15 0.157 19.487 -1.316 124 HB3 PHE 15 HB1 PHE 15 0.952 20.227 -2.704 125 HD1 PHE 15 HD1 PHE 15 2.959 18.900 -3.735 126 HD2 PHE 15 HD2 PHE 15 -0.010 17.118 -1.235 127 HE1 PHE 15 HE1 PHE 15 3.513 16.686 -4.627 128 HE2 PHE 15 HE2 PHE 15 0.559 14.905 -2.134 129 HZ PHE 15 HZ PHE 15 2.328 14.690 -3.830 130 H ASP 16 HN ASP 16 1.057 20.842 1.261 131 HA ASP 16 HA ASP 16 0.197 22.664 2.239 132 HB2 ASP 16 HB2 ASP 16 2.594 23.356 2.230 133 HB3 ASP 16 HB1 ASP 16 2.340 24.171 0.691 134 H ASP 17 HN ASP 17 -1.561 21.938 0.615 135 HA ASP 17 HA ASP 17 -2.695 24.286 -0.642 136 HB2 ASP 17 HB2 ASP 17 -1.252 23.482 -2.477 137 HB3 ASP 17 HB1 ASP 17 -1.966 21.872 -2.351 138 H ASP 18 HN ASP 18 -4.746 24.286 -0.097 139 HA ASP 18 HA ASP 18 -6.166 21.982 0.900 140 HB2 ASP 18 HB2 ASP 18 -6.504 24.173 1.957 141 HB3 ASP 18 HB1 ASP 18 -7.030 24.870 0.430 142 H SER 19 HN SER 19 -5.891 23.543 -2.193 143 HA SER 19 HA SER 19 -8.417 22.913 -3.328 144 HB2 SER 19 HB2 SER 19 -5.817 23.180 -4.885 145 HB3 SER 19 HB1 SER 19 -7.458 23.507 -5.457 146 HG SER 19 HG SER 19 -5.720 25.094 -4.091 147 H ILE 20 HN ILE 20 -5.543 21.008 -2.786 148 HA ILE 20 HA ILE 20 -6.135 18.755 -4.412 149 HB ILE 20 HB ILE 20 -4.472 18.954 -1.853 150 HG12 ILE 20 HG12 ILE 20 -3.679 18.991 -4.802 151 HG13 ILE 20 HG11 ILE 20 -3.557 20.331 -3.668 152 HG21 ILE 20 HG21 ILE 20 -5.189 16.623 -2.180 153 HG22 ILE 20 HG22 ILE 20 -3.462 16.778 -2.490 154 HG23 ILE 20 HG23 ILE 20 -4.590 16.650 -3.840 155 HD11 ILE 20 HD11 ILE 20 -1.830 19.113 -2.435 156 HD12 ILE 20 HD12 ILE 20 -1.400 19.364 -4.126 157 HD13 ILE 20 HD13 ILE 20 -1.955 17.780 -3.590 158 H VAL 21 HN VAL 21 -8.089 17.864 -4.220 159 HA VAL 21 HA VAL 21 -9.041 16.883 -1.586 160 HB VAL 21 HB VAL 21 -10.625 17.335 -4.166 161 HG11 VAL 21 HG11 VAL 21 -11.501 15.368 -2.974 162 HG12 VAL 21 HG12 VAL 21 -12.637 16.713 -2.842 163 HG13 VAL 21 HG13 VAL 21 -11.599 16.298 -1.477 164 HG21 VAL 21 HG21 VAL 21 -10.759 18.820 -1.510 165 HG22 VAL 21 HG22 VAL 21 -11.827 19.092 -2.890 166 HG23 VAL 21 HG23 VAL 21 -10.105 19.461 -3.023 167 H LEU 22 HN LEU 22 -8.746 14.711 -1.313 168 HA LEU 22 HA LEU 22 -7.594 13.174 -3.479 169 HB2 LEU 22 HB2 LEU 22 -8.052 12.450 -0.560 170 HB3 LEU 22 HB1 LEU 22 -7.140 11.490 -1.718 171 HG LEU 22 HG LEU 22 -6.366 14.254 -0.695 172 HD11 LEU 22 HD11 LEU 22 -5.123 11.536 -0.170 173 HD12 LEU 22 HD12 LEU 22 -6.044 12.510 0.980 174 HD13 LEU 22 HD13 LEU 22 -4.491 13.090 0.387 175 HD21 LEU 22 HD21 LEU 22 -5.662 14.006 -3.034 176 HD22 LEU 22 HD22 LEU 22 -4.897 12.456 -2.670 177 HD23 LEU 22 HD23 LEU 22 -4.264 13.947 -1.967 178 H THR 23 HN THR 23 -8.547 11.598 -4.537 179 HA THR 23 HA THR 23 -10.780 10.072 -3.381 180 HB THR 23 HB THR 23 -11.749 9.757 -5.711 181 HG1 THR 23 HG1 THR 23 -10.185 12.037 -6.410 182 HG21 THR 23 HG21 THR 23 -12.839 11.332 -4.150 183 HG22 THR 23 HG22 THR 23 -12.981 11.878 -5.822 184 HG23 THR 23 HG23 THR 23 -11.805 12.637 -4.748 185 H ARG 24 HN ARG 24 -10.951 7.997 -4.862 186 HA ARG 24 HA ARG 24 -8.406 6.712 -4.701 187 HB2 ARG 24 HB2 ARG 24 -11.126 5.694 -5.589 188 HB3 ARG 24 HB1 ARG 24 -9.690 4.674 -5.488 189 HG2 ARG 24 HG2 ARG 24 -9.524 5.129 -3.065 190 HG3 ARG 24 HG1 ARG 24 -10.943 6.173 -3.158 191 HD2 ARG 24 HD2 ARG 24 -10.910 3.193 -3.762 192 HD3 ARG 24 HD1 ARG 24 -11.474 3.930 -2.258 193 HE ARG 24 HE ARG 24 -12.975 5.164 -4.167 194 HH11 ARG 24 HH11 ARG 24 -12.414 1.777 -3.430 195 HH12 ARG 24 HH12 ARG 24 -14.009 1.294 -3.895 196 HH21 ARG 24 HH21 ARG 24 -15.052 4.512 -4.778 197 HH22 ARG 24 HH22 ARG 24 -15.506 2.844 -4.655 198 H GLU 25 HN GLU 25 -9.783 8.525 -7.203 199 HA GLU 25 HA GLU 25 -8.199 7.131 -9.291 200 HB2 GLU 25 HB2 GLU 25 -9.565 8.349 -10.923 201 HB3 GLU 25 HB1 GLU 25 -10.588 7.449 -9.810 202 HG2 GLU 25 HG2 GLU 25 -11.101 9.500 -8.572 203 HG3 GLU 25 HG1 GLU 25 -10.039 10.426 -9.635 204 H THR 26 HN THR 26 -8.039 9.811 -7.197 205 HA THR 26 HA THR 26 -6.770 11.749 -8.840 206 HB THR 26 HB THR 26 -6.404 11.372 -5.825 207 HG1 THR 26 HG1 THR 26 -8.501 12.367 -7.361 208 HG21 THR 26 HG21 THR 26 -4.750 12.942 -6.817 209 HG22 THR 26 HG22 THR 26 -5.911 13.793 -5.799 210 HG23 THR 26 HG23 THR 26 -6.072 13.864 -7.553 211 H SER 27 HN SER 27 -5.064 10.996 -10.071 212 HA SER 27 HA SER 27 -2.871 9.467 -8.880 213 HB2 SER 27 HB2 SER 27 -3.133 10.515 -11.732 214 HB3 SER 27 HB1 SER 27 -2.041 9.250 -11.155 215 HG SER 27 HG SER 27 -4.865 9.162 -11.434 216 H ALA 28 HN ALA 28 -0.584 10.271 -9.330 217 HA ALA 28 HA ALA 28 -0.045 12.826 -8.342 218 HB1 ALA 28 HB1 ALA 28 2.249 12.415 -9.147 219 HB2 ALA 28 HB2 ALA 28 1.663 11.042 -10.090 220 HB3 ALA 28 HB3 ALA 28 1.563 11.013 -8.331 221 H ASN 29 HN ASN 29 -0.614 11.766 -11.620 222 HA ASN 29 HA ASN 29 0.359 14.064 -13.017 223 HB2 ASN 29 HB2 ASN 29 -0.030 11.654 -13.932 224 HB3 ASN 29 HB1 ASN 29 -1.721 12.105 -14.077 225 HD21 ASN 29 HD21 ASN 29 0.205 11.326 -16.127 226 HD22 ASN 29 HD22 ASN 29 0.265 12.620 -17.272 227 H ASP 30 HN ASP 30 -2.609 13.270 -11.380 228 HA ASP 30 HA ASP 30 -4.231 15.422 -12.462 229 HB2 ASP 30 HB2 ASP 30 -4.592 13.588 -10.045 230 HB3 ASP 30 HB1 ASP 30 -5.773 14.803 -10.525 231 H ILE 31 HN ILE 31 -1.720 15.233 -10.163 232 HA ILE 31 HA ILE 31 -2.513 17.753 -8.818 233 HB ILE 31 HB ILE 31 -0.811 15.431 -7.786 234 HG12 ILE 31 HG12 ILE 31 -3.463 16.582 -6.798 235 HG13 ILE 31 HG11 ILE 31 -3.247 15.044 -7.623 236 HG21 ILE 31 HG21 ILE 31 -0.502 16.684 -5.679 237 HG22 ILE 31 HG22 ILE 31 -1.294 18.090 -6.389 238 HG23 ILE 31 HG23 ILE 31 0.247 17.524 -7.039 239 HD11 ILE 31 HD11 ILE 31 -2.229 15.750 -4.865 240 HD12 ILE 31 HD12 ILE 31 -1.990 14.204 -5.684 241 HD13 ILE 31 HD13 ILE 31 -3.614 14.732 -5.253 242 H ASP 32 HN ASP 32 -1.588 19.185 -10.306 243 HA ASP 32 HA ASP 32 1.154 18.972 -11.182 244 HB2 ASP 32 HB2 ASP 32 -0.533 20.157 -12.555 245 HB3 ASP 32 HB1 ASP 32 -0.745 21.359 -11.286 246 H ALA 33 HN ALA 33 2.557 18.954 -9.587 247 HA ALA 33 HA ALA 33 3.437 20.726 -7.763 248 HB1 ALA 33 HB1 ALA 33 2.261 20.242 -5.606 249 HB2 ALA 33 HB2 ALA 33 1.081 19.265 -6.487 250 HB3 ALA 33 HB3 ALA 33 1.182 20.998 -6.783 251 H TRP 34 HN TRP 34 2.263 17.468 -8.232 252 HA TRP 34 HA TRP 34 4.025 16.197 -6.346 253 HB2 TRP 34 HB2 TRP 34 1.639 15.411 -7.172 254 HB3 TRP 34 HB1 TRP 34 2.515 14.696 -8.518 255 HD1 TRP 34 HD1 TRP 34 4.980 13.380 -6.995 256 HE1 TRP 34 HE1 TRP 34 4.606 11.425 -5.372 257 HE3 TRP 34 HE3 TRP 34 0.018 14.057 -6.055 258 HZ2 TRP 34 HZ2 TRP 34 2.500 10.305 -3.905 259 HZ3 TRP 34 HZ3 TRP 34 -1.117 12.485 -4.545 260 HH2 TRP 34 HH2 TRP 34 0.102 10.643 -3.495 261 H ASP 35 HN ASP 35 6.055 15.709 -6.713 262 HA ASP 35 HA ASP 35 7.005 14.803 -9.363 263 HB2 ASP 35 HB2 ASP 35 8.503 16.583 -7.368 264 HB3 ASP 35 HB1 ASP 35 9.272 15.782 -8.739 265 H SER 36 HN SER 36 9.256 13.635 -8.911 266 HA SER 36 HA SER 36 8.815 11.378 -7.282 267 HB2 SER 36 HB2 SER 36 11.622 12.131 -8.101 268 HB3 SER 36 HB1 SER 36 10.808 10.568 -8.218 269 H LEU 37 HN LEU 37 10.342 14.457 -6.717 270 HA LEU 37 HA LEU 37 11.588 13.944 -4.221 271 HB2 LEU 37 HB2 LEU 37 12.021 15.914 -5.754 272 HB3 LEU 37 HB1 LEU 37 10.489 16.593 -5.255 273 HG LEU 37 HG LEU 37 12.625 17.566 -4.203 274 HD11 LEU 37 HD11 LEU 37 10.432 18.080 -3.291 275 HD12 LEU 37 HD12 LEU 37 11.644 17.961 -2.020 276 HD13 LEU 37 HD13 LEU 37 10.494 16.643 -2.269 277 HD21 LEU 37 HD21 LEU 37 13.610 16.411 -2.284 278 HD22 LEU 37 HD22 LEU 37 13.804 15.464 -3.758 279 HD23 LEU 37 HD23 LEU 37 12.578 15.006 -2.570 280 H SER 38 HN SER 38 8.353 15.152 -5.116 281 HA SER 38 HA SER 38 7.315 15.572 -2.532 282 HB2 SER 38 HB2 SER 38 5.777 14.724 -5.021 283 HB3 SER 38 HB1 SER 38 5.114 15.534 -3.596 284 HG SER 38 HG SER 38 6.347 17.352 -4.118 285 H HIS 39 HN HIS 39 7.428 12.700 -4.586 286 HA HIS 39 HA HIS 39 5.977 10.872 -3.087 287 HB2 HIS 39 HB2 HIS 39 7.838 10.730 -5.306 288 HB3 HIS 39 HB1 HIS 39 8.276 9.463 -4.173 289 HD2 HIS 39 HD2 HIS 39 7.342 7.839 -6.436 290 HE1 HIS 39 HE1 HIS 39 3.312 8.330 -5.248 291 HE2 HIS 39 HE2 HIS 39 4.894 7.060 -6.757 292 H MET 40 HN MET 40 9.414 11.763 -2.747 293 HA MET 40 HA MET 40 10.125 9.958 -0.698 294 HB2 MET 40 HB2 MET 40 11.272 12.698 -1.390 295 HB3 MET 40 HB1 MET 40 12.008 11.602 -0.221 296 HG2 MET 40 HG2 MET 40 11.631 11.106 -3.185 297 HG3 MET 40 HG1 MET 40 13.152 11.408 -2.337 298 HE1 MET 40 HE1 MET 40 12.707 9.584 0.347 299 HE2 MET 40 HE2 MET 40 14.223 9.632 -0.554 300 HE3 MET 40 HE3 MET 40 13.469 8.082 -0.175 301 H ASN 41 HN ASN 41 8.823 13.229 -0.586 302 HA ASN 41 HA ASN 41 8.886 13.684 2.206 303 HB2 ASN 41 HB2 ASN 41 6.886 14.816 0.198 304 HB3 ASN 41 HB1 ASN 41 7.308 15.508 1.764 305 HD21 ASN 41 HD21 ASN 41 7.431 16.639 -0.912 306 HD22 ASN 41 HD22 ASN 41 9.061 17.157 -1.136 307 H LEU 42 HN LEU 42 6.371 12.402 0.040 308 HA LEU 42 HA LEU 42 4.284 12.037 1.850 309 HB2 LEU 42 HB2 LEU 42 4.951 10.980 -0.855 310 HB3 LEU 42 HB1 LEU 42 3.951 9.889 0.076 311 HG LEU 42 HG LEU 42 2.504 11.213 -1.313 312 HD11 LEU 42 HD11 LEU 42 2.318 12.270 1.521 313 HD12 LEU 42 HD12 LEU 42 1.681 10.729 0.940 314 HD13 LEU 42 HD13 LEU 42 1.030 12.236 0.311 315 HD21 LEU 42 HD21 LEU 42 3.763 13.701 -0.123 316 HD22 LEU 42 HD22 LEU 42 2.408 13.650 -1.258 317 HD23 LEU 42 HD23 LEU 42 3.999 13.092 -1.765 318 H ILE 43 HN ILE 43 6.662 9.576 0.758 319 HA ILE 43 HA ILE 43 5.654 7.473 2.276 320 HB ILE 43 HB ILE 43 8.317 7.920 0.917 321 HG12 ILE 43 HG12 ILE 43 7.633 5.944 -0.438 322 HG13 ILE 43 HG11 ILE 43 6.194 5.745 0.554 323 HG21 ILE 43 HG21 ILE 43 9.110 5.646 1.535 324 HG22 ILE 43 HG22 ILE 43 7.757 5.495 2.662 325 HG23 ILE 43 HG23 ILE 43 9.000 6.718 2.930 326 HD11 ILE 43 HD11 ILE 43 6.798 8.048 -1.289 327 HD12 ILE 43 HD12 ILE 43 5.352 7.894 -0.289 328 HD13 ILE 43 HD13 ILE 43 5.668 6.734 -1.577 329 H VAL 44 HN VAL 44 8.370 9.718 3.133 330 HA VAL 44 HA VAL 44 9.032 8.402 5.537 331 HB VAL 44 HB VAL 44 10.293 10.425 6.176 332 HG11 VAL 44 HG11 VAL 44 11.875 10.435 4.270 333 HG12 VAL 44 HG12 VAL 44 10.666 9.642 3.260 334 HG13 VAL 44 HG13 VAL 44 11.337 8.796 4.657 335 HG21 VAL 44 HG21 VAL 44 10.364 12.420 4.715 336 HG22 VAL 44 HG22 VAL 44 8.742 12.180 5.366 337 HG23 VAL 44 HG23 VAL 44 9.096 11.731 3.697 338 H SER 45 HN SER 45 6.685 10.988 4.888 339 HA SER 45 HA SER 45 5.963 11.503 7.613 340 HB2 SER 45 HB2 SER 45 4.355 11.934 5.054 341 HB3 SER 45 HB1 SER 45 3.956 12.614 6.635 342 HG SER 45 HG SER 45 6.334 13.101 5.157 343 H LEU 46 HN LEU 46 4.726 9.310 5.133 344 HA LEU 46 HA LEU 46 2.503 8.304 6.593 345 HB2 LEU 46 HB2 LEU 46 4.007 7.092 4.252 346 HB3 LEU 46 HB1 LEU 46 2.438 6.559 4.832 347 HG LEU 46 HG LEU 46 3.043 9.258 3.561 348 HD11 LEU 46 HD11 LEU 46 1.477 6.918 2.445 349 HD12 LEU 46 HD12 LEU 46 3.077 7.450 1.921 350 HD13 LEU 46 HD13 LEU 46 1.680 8.496 1.680 351 HD21 LEU 46 HD21 LEU 46 0.638 9.687 3.634 352 HD22 LEU 46 HD22 LEU 46 1.305 9.505 5.254 353 HD23 LEU 46 HD23 LEU 46 0.384 8.184 4.529 354 H GLU 47 HN GLU 47 5.878 7.367 6.355 355 HA GLU 47 HA GLU 47 5.894 4.844 7.592 356 HB2 GLU 47 HB2 GLU 47 8.000 7.060 7.606 357 HB3 GLU 47 HB1 GLU 47 8.297 5.448 8.243 358 HG2 GLU 47 HG2 GLU 47 7.523 5.992 5.377 359 HG3 GLU 47 HG1 GLU 47 9.189 5.924 5.932 360 H VAL 48 HN VAL 48 6.518 8.087 8.959 361 HA VAL 48 HA VAL 48 6.885 7.093 11.602 362 HB VAL 48 HB VAL 48 7.126 9.458 12.265 363 HG11 VAL 48 HG11 VAL 48 9.125 9.977 10.903 364 HG12 VAL 48 HG12 VAL 48 8.629 8.770 9.712 365 HG13 VAL 48 HG13 VAL 48 9.070 8.270 11.346 366 HG21 VAL 48 HG21 VAL 48 6.997 11.285 10.593 367 HG22 VAL 48 HG22 VAL 48 5.427 10.514 10.825 368 HG23 VAL 48 HG23 VAL 48 6.388 10.142 9.390 369 H HIS 49 HN HIS 49 4.147 8.735 9.996 370 HA HIS 49 HA HIS 49 2.561 9.081 12.322 371 HB2 HIS 49 HB2 HIS 49 1.922 9.115 9.358 372 HB3 HIS 49 HB1 HIS 49 0.615 9.185 10.531 373 HD1 HIS 49 HD1 HIS 49 0.126 11.389 11.598 374 HD2 HIS 49 HD2 HIS 49 3.714 11.426 9.509 375 HE1 HIS 49 HE1 HIS 49 0.864 13.779 11.587 376 HE2 HIS 49 HE2 HIS 49 3.137 13.734 10.497 377 H TYR 50 HN TYR 50 2.371 6.539 9.781 378 HA TYR 50 HA TYR 50 0.297 5.109 11.270 379 HB2 TYR 50 HB2 TYR 50 1.660 4.526 8.623 380 HB3 TYR 50 HB1 TYR 50 0.380 3.533 9.301 381 HD1 TYR 50 HD1 TYR 50 -1.951 4.539 9.576 382 HD2 TYR 50 HD2 TYR 50 1.124 6.533 7.371 383 HE1 TYR 50 HE1 TYR 50 -3.650 5.907 8.440 384 HE2 TYR 50 HE2 TYR 50 -0.585 7.895 6.240 385 HH TYR 50 HH TYR 50 -3.011 7.723 5.688 386 H LYS 51 HN LYS 51 3.704 5.018 11.158 387 HA LYS 51 HA LYS 51 5.353 3.651 11.815 388 HB2 LYS 51 HB2 LYS 51 3.231 2.486 13.657 389 HB3 LYS 51 HB1 LYS 51 4.933 2.079 13.758 390 HG2 LYS 51 HG2 LYS 51 4.738 3.683 15.429 391 HG3 LYS 51 HG1 LYS 51 5.313 4.642 14.062 392 HD2 LYS 51 HD2 LYS 51 2.920 5.293 13.605 393 HD3 LYS 51 HD1 LYS 51 2.452 4.439 15.081 394 HE2 LYS 51 HE2 LYS 51 4.310 6.835 14.896 395 HE3 LYS 51 HE1 LYS 51 2.654 6.847 15.496 396 HZ1 LYS 51 HZ1 LYS 51 4.973 5.463 16.734 397 HZ2 LYS 51 HZ2 LYS 51 3.381 5.363 17.293 398 HZ3 LYS 51 HZ3 LYS 51 4.193 6.846 17.315 399 H ILE 52 HN ILE 52 4.428 2.939 9.396 400 HA ILE 52 HA ILE 52 4.557 -0.032 9.368 401 HB ILE 52 HB ILE 52 2.967 -0.116 7.437 402 HG12 ILE 52 HG12 ILE 52 2.492 2.826 8.089 403 HG13 ILE 52 HG11 ILE 52 3.132 2.173 6.587 404 HG21 ILE 52 HG21 ILE 52 1.729 1.026 9.962 405 HG22 ILE 52 HG22 ILE 52 2.160 -0.664 9.692 406 HG23 ILE 52 HG23 ILE 52 0.880 0.082 8.731 407 HD11 ILE 52 HD11 ILE 52 0.814 2.917 6.378 408 HD12 ILE 52 HD12 ILE 52 0.319 1.766 7.618 409 HD13 ILE 52 HD13 ILE 52 0.960 1.188 6.078 410 H LYS 53 HN LYS 53 5.071 -0.815 7.083 411 HA LYS 53 HA LYS 53 7.427 0.718 6.153 412 HB2 LYS 53 HB2 LYS 53 7.940 -1.386 7.322 413 HB3 LYS 53 HB1 LYS 53 6.853 -2.275 6.258 414 HG2 LYS 53 HG2 LYS 53 8.358 -1.737 4.338 415 HG3 LYS 53 HG1 LYS 53 9.468 -0.946 5.466 416 HD2 LYS 53 HD2 LYS 53 9.738 -3.104 6.676 417 HD3 LYS 53 HD1 LYS 53 8.650 -3.878 5.522 418 HE2 LYS 53 HE2 LYS 53 10.252 -3.327 3.699 419 HE3 LYS 53 HE1 LYS 53 11.354 -2.644 4.899 420 HZ1 LYS 53 HZ1 LYS 53 11.431 -4.826 5.960 421 HZ2 LYS 53 HZ2 LYS 53 11.981 -4.888 4.364 422 HZ3 LYS 53 HZ3 LYS 53 10.435 -5.463 4.750 423 H PHE 54 HN PHE 54 6.659 1.806 4.370 424 HA PHE 54 HA PHE 54 5.272 0.468 2.178 425 HB2 PHE 54 HB2 PHE 54 6.411 3.302 2.372 426 HB3 PHE 54 HB1 PHE 54 5.497 2.681 1.007 427 HD1 PHE 54 HD2 PHE 54 3.086 2.224 1.187 428 HD2 PHE 54 HD1 PHE 54 5.247 3.924 4.461 429 HE1 PHE 54 HE2 PHE 54 0.969 2.893 2.238 430 HE2 PHE 54 HE1 PHE 54 3.127 4.576 5.510 431 HZ PHE 54 HZ PHE 54 0.983 4.075 4.398 432 H ALA 55 HN ALA 55 6.412 -0.811 0.889 433 HA ALA 55 HA ALA 55 9.308 -0.511 0.530 434 HB1 ALA 55 HB1 ALA 55 8.404 -2.787 0.865 435 HB2 ALA 55 HB2 ALA 55 9.142 -2.635 -0.728 436 HB3 ALA 55 HB3 ALA 55 7.384 -2.612 -0.566 437 H LEU 56 HN LEU 56 10.180 0.382 -1.289 438 HA LEU 56 HA LEU 56 8.619 2.143 -2.868 439 HB2 LEU 56 HB2 LEU 56 11.208 2.113 -2.195 440 HB3 LEU 56 HB1 LEU 56 11.409 1.266 -3.709 441 HG LEU 56 HG LEU 56 11.903 3.723 -3.814 442 HD11 LEU 56 HD11 LEU 56 9.624 2.916 -5.622 443 HD12 LEU 56 HD12 LEU 56 11.334 2.560 -5.875 444 HD13 LEU 56 HD13 LEU 56 10.770 4.231 -5.903 445 HD21 LEU 56 HD21 LEU 56 10.219 4.506 -2.218 446 HD22 LEU 56 HD22 LEU 56 8.930 4.113 -3.360 447 HD23 LEU 56 HD23 LEU 56 10.106 5.370 -3.749 448 H GLY 57 HN GLY 57 9.620 -1.177 -3.386 449 HA2 GLY 57 HA2 GLY 57 9.120 -1.544 -6.123 450 HA3 GLY 57 HA1 GLY 57 8.954 -2.774 -4.878 451 H GLU 58 HN GLU 58 6.925 -1.654 -3.332 452 HA GLU 58 HA GLU 58 4.516 -2.261 -4.733 453 HB2 GLU 58 HB2 GLU 58 4.811 -0.749 -2.097 454 HB3 GLU 58 HB1 GLU 58 3.335 -1.506 -2.698 455 HG2 GLU 58 HG2 GLU 58 4.339 -3.717 -2.476 456 HG3 GLU 58 HG1 GLU 58 5.876 -3.003 -1.982 457 H LEU 59 HN LEU 59 6.115 0.771 -3.791 458 HA LEU 59 HA LEU 59 4.118 2.622 -4.483 459 HB2 LEU 59 HB2 LEU 59 7.127 2.804 -4.220 460 HB3 LEU 59 HB1 LEU 59 6.272 4.169 -4.898 461 HG LEU 59 HG LEU 59 6.719 4.513 -2.515 462 HD11 LEU 59 HD11 LEU 59 4.480 5.101 -1.768 463 HD12 LEU 59 HD12 LEU 59 3.777 4.123 -3.059 464 HD13 LEU 59 HD13 LEU 59 4.740 5.549 -3.453 465 HD21 LEU 59 HD21 LEU 59 5.012 2.072 -1.982 466 HD22 LEU 59 HD22 LEU 59 5.651 3.183 -0.765 467 HD23 LEU 59 HD23 LEU 59 6.754 2.205 -1.729 468 H GLN 60 HN GLN 60 6.636 1.134 -6.517 469 HA GLN 60 HA GLN 60 6.198 2.489 -8.920 470 HB2 GLN 60 HB2 GLN 60 6.934 -0.450 -8.587 471 HB3 GLN 60 HB1 GLN 60 7.195 0.511 -10.037 472 HG2 GLN 60 HG2 GLN 60 8.539 1.006 -7.358 473 HG3 GLN 60 HG1 GLN 60 9.252 0.115 -8.697 474 HE21 GLN 60 HE21 GLN 60 10.999 1.530 -8.823 475 HE22 GLN 60 HE22 GLN 60 10.858 3.142 -9.426 476 H LYS 61 HN LYS 61 4.146 0.180 -7.364 477 HA LYS 61 HA LYS 61 2.400 -0.096 -9.743 478 HB2 LYS 61 HB2 LYS 61 2.583 -1.779 -7.210 479 HB3 LYS 61 HB1 LYS 61 1.386 -2.024 -8.478 480 HG2 LYS 61 HG2 LYS 61 4.380 -2.211 -8.983 481 HG3 LYS 61 HG1 LYS 61 3.401 -3.586 -8.490 482 HD2 LYS 61 HD2 LYS 61 3.456 -3.855 -10.810 483 HD3 LYS 61 HD1 LYS 61 1.931 -3.004 -10.588 484 HE2 LYS 61 HE2 LYS 61 3.183 -0.853 -11.122 485 HE3 LYS 61 HE1 LYS 61 4.566 -1.849 -11.568 486 HZ1 LYS 61 HZ1 LYS 61 1.872 -1.976 -12.791 487 HZ2 LYS 61 HZ2 LYS 61 3.210 -2.900 -13.249 488 HZ3 LYS 61 HZ3 LYS 61 3.225 -1.225 -13.468 489 H LEU 62 HN LEU 62 2.656 1.854 -7.079 490 HA LEU 62 HA LEU 62 -0.253 2.104 -6.628 491 HB2 LEU 62 HB2 LEU 62 2.000 3.655 -5.269 492 HB3 LEU 62 HB1 LEU 62 0.298 3.659 -4.817 493 HG LEU 62 HG LEU 62 2.264 1.363 -4.529 494 HD11 LEU 62 HD11 LEU 62 1.899 1.586 -2.139 495 HD12 LEU 62 HD12 LEU 62 0.792 2.935 -2.412 496 HD13 LEU 62 HD13 LEU 62 2.498 3.088 -2.834 497 HD21 LEU 62 HD21 LEU 62 0.456 0.050 -3.489 498 HD22 LEU 62 HD22 LEU 62 0.135 0.393 -5.185 499 HD23 LEU 62 HD23 LEU 62 -0.710 1.303 -3.931 500 H LYS 63 HN LYS 63 -0.955 2.949 -8.526 501 HA LYS 63 HA LYS 63 0.495 4.989 -9.998 502 HB2 LYS 63 HB2 LYS 63 -0.644 2.999 -11.047 503 HB3 LYS 63 HB1 LYS 63 -2.197 3.653 -10.573 504 HG2 LYS 63 HG2 LYS 63 -0.342 5.204 -12.400 505 HG3 LYS 63 HG1 LYS 63 -1.371 3.925 -13.038 506 HD2 LYS 63 HD2 LYS 63 -2.312 6.442 -11.611 507 HD3 LYS 63 HD1 LYS 63 -2.405 6.130 -13.345 508 HE2 LYS 63 HE2 LYS 63 -3.985 4.287 -12.949 509 HE3 LYS 63 HE1 LYS 63 -3.842 4.520 -11.204 510 HZ1 LYS 63 HZ1 LYS 63 -5.813 5.567 -11.998 511 HZ2 LYS 63 HZ2 LYS 63 -4.951 6.451 -13.150 512 HZ3 LYS 63 HZ3 LYS 63 -4.725 6.764 -11.506 513 H ASN 64 HN ASN 64 -2.246 4.837 -7.848 514 HA ASN 64 HA ASN 64 -2.358 7.750 -7.837 515 HB2 ASN 64 HB2 ASN 64 -4.898 7.741 -7.854 516 HB3 ASN 64 HB1 ASN 64 -4.141 7.358 -9.385 517 HD21 ASN 64 HD21 ASN 64 -4.679 5.086 -6.690 518 HD22 ASN 64 HD22 ASN 64 -5.790 4.096 -7.546 519 H VAL 65 HN VAL 65 -3.920 8.514 -6.080 520 HA VAL 65 HA VAL 65 -2.821 7.779 -3.599 521 HB VAL 65 HB VAL 65 -5.331 9.434 -4.149 522 HG11 VAL 65 HG11 VAL 65 -5.222 8.739 -1.786 523 HG12 VAL 65 HG12 VAL 65 -4.937 10.474 -1.934 524 HG13 VAL 65 HG13 VAL 65 -3.581 9.378 -1.658 525 HG21 VAL 65 HG21 VAL 65 -3.854 11.418 -4.018 526 HG22 VAL 65 HG22 VAL 65 -3.363 10.345 -5.330 527 HG23 VAL 65 HG23 VAL 65 -2.451 10.364 -3.821 528 H GLY 66 HN GLY 66 -5.652 6.644 -5.304 529 HA2 GLY 66 HA2 GLY 66 -7.023 5.360 -3.159 530 HA3 GLY 66 HA1 GLY 66 -7.196 5.011 -4.875 531 H ASP 67 HN ASP 67 -4.516 4.278 -5.433 532 HA ASP 67 HA ASP 67 -4.434 1.551 -4.605 533 HB2 ASP 67 HB2 ASP 67 -2.243 3.230 -5.919 534 HB3 ASP 67 HB1 ASP 67 -2.216 1.476 -5.758 535 H LEU 68 HN LEU 68 -2.642 4.481 -3.736 536 HA LEU 68 HA LEU 68 -0.890 3.395 -1.824 537 HB2 LEU 68 HB2 LEU 68 -0.568 5.614 -2.831 538 HB3 LEU 68 HB1 LEU 68 -2.040 6.199 -2.080 539 HG LEU 68 HG LEU 68 -0.989 5.989 0.166 540 HD11 LEU 68 HD11 LEU 68 0.598 4.164 -0.254 541 HD12 LEU 68 HD12 LEU 68 1.422 5.571 0.413 542 HD13 LEU 68 HD13 LEU 68 1.550 5.213 -1.312 543 HD21 LEU 68 HD21 LEU 68 0.653 7.661 -1.768 544 HD22 LEU 68 HD22 LEU 68 0.524 7.908 -0.025 545 HD23 LEU 68 HD23 LEU 68 -0.891 8.132 -1.051 546 H ALA 69 HN ALA 69 -4.190 4.673 -1.523 547 HA ALA 69 HA ALA 69 -4.385 4.609 1.323 548 HB1 ALA 69 HB1 ALA 69 -6.810 4.915 0.978 549 HB2 ALA 69 HB2 ALA 69 -6.620 4.564 -0.744 550 HB3 ALA 69 HB3 ALA 69 -5.881 6.008 -0.052 551 H ASP 70 HN ASP 70 -5.416 2.382 -1.237 552 HA ASP 70 HA ASP 70 -6.513 0.319 0.331 553 HB2 ASP 70 HB2 ASP 70 -6.877 0.377 -2.094 554 HB3 ASP 70 HB1 ASP 70 -5.155 0.199 -2.394 555 H LEU 71 HN LEU 71 -3.230 1.085 -0.631 556 HA LEU 71 HA LEU 71 -2.007 -1.336 0.254 557 HB2 LEU 71 HB2 LEU 71 -1.144 0.287 -1.513 558 HB3 LEU 71 HB1 LEU 71 -0.680 1.369 -0.224 559 HG LEU 71 HG LEU 71 1.153 -0.090 -1.332 560 HD11 LEU 71 HD11 LEU 71 2.434 -0.348 0.710 561 HD12 LEU 71 HD12 LEU 71 0.973 -0.124 1.677 562 HD13 LEU 71 HD13 LEU 71 1.582 1.192 0.672 563 HD21 LEU 71 HD21 LEU 71 0.004 -2.235 0.469 564 HD22 LEU 71 HD22 LEU 71 1.496 -2.330 -0.474 565 HD23 LEU 71 HD23 LEU 71 -0.059 -2.225 -1.297 566 H VAL 72 HN VAL 72 -2.584 1.863 1.767 567 HA VAL 72 HA VAL 72 -1.303 1.376 4.238 568 HB VAL 72 HB VAL 72 -3.759 3.110 3.685 569 HG11 VAL 72 HG11 VAL 72 -3.611 2.595 6.102 570 HG12 VAL 72 HG12 VAL 72 -3.216 4.287 5.814 571 HG13 VAL 72 HG13 VAL 72 -1.925 3.126 6.130 572 HG21 VAL 72 HG21 VAL 72 -0.831 3.907 3.892 573 HG22 VAL 72 HG22 VAL 72 -2.184 5.019 3.649 574 HG23 VAL 72 HG23 VAL 72 -1.781 3.832 2.410 575 H ASP 73 HN ASP 73 -4.627 0.661 3.124 576 HA ASP 73 HA ASP 73 -5.708 -0.481 5.474 577 HB2 ASP 73 HB2 ASP 73 -6.329 -1.173 2.564 578 HB3 ASP 73 HB1 ASP 73 -7.268 -1.765 3.929 579 H LYS 74 HN LYS 74 -3.841 -1.852 2.836 580 HA LYS 74 HA LYS 74 -3.928 -4.582 3.538 581 HB2 LYS 74 HB2 LYS 74 -1.900 -2.998 1.911 582 HB3 LYS 74 HB1 LYS 74 -1.770 -4.738 2.128 583 HG2 LYS 74 HG2 LYS 74 -4.113 -3.314 0.828 584 HG3 LYS 74 HG1 LYS 74 -2.792 -4.109 -0.037 585 HD2 LYS 74 HD2 LYS 74 -3.458 -6.284 0.965 586 HD3 LYS 74 HD1 LYS 74 -4.771 -5.483 1.837 587 HE2 LYS 74 HE2 LYS 74 -4.510 -5.644 -1.190 588 HE3 LYS 74 HE1 LYS 74 -5.576 -6.640 -0.197 589 HZ1 LYS 74 HZ1 LYS 74 -6.735 -4.635 0.497 590 HZ2 LYS 74 HZ2 LYS 74 -6.767 -4.798 -1.183 591 HZ3 LYS 74 HZ3 LYS 74 -5.722 -3.682 -0.467 592 H LYS 75 HN LYS 75 -1.619 -2.009 4.387 593 HA LYS 75 HA LYS 75 0.219 -3.616 5.852 594 HB2 LYS 75 HB2 LYS 75 -0.368 -0.632 6.117 595 HB3 LYS 75 HB1 LYS 75 1.025 -1.451 6.823 596 HG2 LYS 75 HG2 LYS 75 0.440 -1.203 3.859 597 HG3 LYS 75 HG1 LYS 75 1.577 -0.201 4.767 598 HD2 LYS 75 HD2 LYS 75 2.991 -2.123 5.226 599 HD3 LYS 75 HD1 LYS 75 1.805 -3.225 4.520 600 HE2 LYS 75 HE2 LYS 75 2.145 -2.166 2.314 601 HE3 LYS 75 HE1 LYS 75 3.329 -1.073 3.028 602 HZ1 LYS 75 HZ1 LYS 75 4.303 -2.986 1.876 603 HZ2 LYS 75 HZ2 LYS 75 3.596 -4.016 3.007 604 HZ3 LYS 75 HZ3 LYS 75 4.754 -2.888 3.498 605 H LEU 76 HN LEU 76 -2.610 -1.681 6.842 606 HA LEU 76 HA LEU 76 -2.321 -2.165 9.655 607 HB2 LEU 76 HB2 LEU 76 -4.730 -1.195 8.071 608 HB3 LEU 76 HB1 LEU 76 -4.593 -1.156 9.824 609 HG LEU 76 HG LEU 76 -2.907 0.449 7.854 610 HD11 LEU 76 HD11 LEU 76 -4.019 2.419 8.816 611 HD12 LEU 76 HD12 LEU 76 -5.021 1.371 9.825 612 HD13 LEU 76 HD13 LEU 76 -5.175 1.318 8.067 613 HD21 LEU 76 HD21 LEU 76 -1.882 1.529 9.829 614 HD22 LEU 76 HD22 LEU 76 -1.519 -0.193 9.770 615 HD23 LEU 76 HD23 LEU 76 -2.742 0.409 10.894 616 H ALA 77 HN ALA 77 -3.747 -3.948 7.041 617 HA ALA 77 HA ALA 77 -5.225 -5.816 8.715 618 HB1 ALA 77 HB1 ALA 77 -5.636 -7.036 6.607 619 HB2 ALA 77 HB2 ALA 77 -4.522 -5.958 5.761 620 HB3 ALA 77 HB3 ALA 77 -6.023 -5.320 6.432 621 H ARG 78 HN ARG 78 -2.054 -5.553 7.192 622 HA ARG 78 HA ARG 78 -1.125 -8.209 7.792 623 HB2 ARG 78 HB2 ARG 78 0.338 -5.638 7.063 624 HB3 ARG 78 HB1 ARG 78 1.189 -7.136 7.421 625 HG2 ARG 78 HG2 ARG 78 -0.784 -6.722 5.156 626 HG3 ARG 78 HG1 ARG 78 0.976 -6.805 5.009 627 HD2 ARG 78 HD2 ARG 78 -0.877 -9.037 5.914 628 HD3 ARG 78 HD1 ARG 78 -0.036 -8.935 4.372 629 HE ARG 78 HE ARG 78 2.067 -9.239 5.549 630 HH11 ARG 78 HH11 ARG 78 -0.798 -10.042 7.436 631 HH12 ARG 78 HH12 ARG 78 0.064 -11.097 8.505 632 HH21 ARG 78 HH21 ARG 78 3.159 -10.640 6.989 633 HH22 ARG 78 HH22 ARG 78 2.281 -11.437 8.257 634 H LYS 79 HN LYS 79 -1.313 -5.179 9.505 635 HA LYS 79 HA LYS 79 0.555 -5.970 11.604 636 HB2 LYS 79 HB2 LYS 79 -1.142 -3.465 11.196 637 HB3 LYS 79 HB1 LYS 79 -0.216 -3.747 12.669 638 HG2 LYS 79 HG2 LYS 79 0.912 -3.441 9.864 639 HG3 LYS 79 HG1 LYS 79 0.971 -2.234 11.155 640 HD2 LYS 79 HD2 LYS 79 2.311 -3.928 12.522 641 HD3 LYS 79 HD1 LYS 79 2.395 -4.931 11.069 642 HE2 LYS 79 HE2 LYS 79 4.442 -3.668 11.221 643 HE3 LYS 79 HE1 LYS 79 3.494 -2.983 9.897 644 HZ1 LYS 79 HZ1 LYS 79 2.753 -1.236 11.414 645 HZ2 LYS 79 HZ2 LYS 79 4.438 -1.250 11.263 646 HZ3 LYS 79 HZ3 LYS 79 3.707 -1.887 12.646 647 H LEU 80 HN LEU 80 -2.830 -4.808 11.563 648 HA LEU 80 HA LEU 80 -4.496 -4.859 13.071 649 HB2 LEU 80 HB2 LEU 80 -3.565 -7.719 13.516 650 HB3 LEU 80 HB1 LEU 80 -5.122 -7.073 14.012 651 HG LEU 80 HG LEU 80 -4.183 -7.348 11.124 652 HD11 LEU 80 HD11 LEU 80 -5.777 -9.192 10.931 653 HD12 LEU 80 HD12 LEU 80 -6.179 -9.051 12.645 654 HD13 LEU 80 HD13 LEU 80 -4.554 -9.535 12.154 655 HD21 LEU 80 HD21 LEU 80 -5.749 -5.478 11.369 656 HD22 LEU 80 HD22 LEU 80 -6.907 -6.517 12.208 657 HD23 LEU 80 HD23 LEU 80 -6.517 -6.810 10.511 658 H GLU 81 HN GLU 81 -1.651 -4.302 13.951 659 HA GLU 81 HA GLU 81 -1.438 -5.071 16.740 660 HB2 GLU 81 HB2 GLU 81 0.408 -3.371 14.986 661 HB3 GLU 81 HB1 GLU 81 0.785 -3.929 16.613 662 HG2 GLU 81 HG2 GLU 81 0.384 -5.705 14.181 663 HG3 GLU 81 HG1 GLU 81 1.937 -5.237 14.867 664 H HIS 82 HN HIS 82 -0.290 -2.982 17.952 665 HA HIS 82 HA HIS 82 -0.702 -1.151 19.185 666 HB2 HIS 82 HB2 HIS 82 -2.156 -0.097 16.715 667 HB3 HIS 82 HB1 HIS 82 -1.715 0.873 18.109 668 HD1 HIS 82 HD1 HIS 82 0.375 2.155 17.821 669 HD2 HIS 82 HD2 HIS 82 0.311 -1.221 15.407 670 HE1 HIS 82 HE1 HIS 82 2.455 2.294 16.417 671 HE2 HIS 82 HE2 HIS 82 2.358 0.274 14.908 672 H HIS 83 HN HIS 83 -2.003 -2.547 20.549 673 HA HIS 83 HA HIS 83 -4.886 -2.613 20.262 674 HB2 HIS 83 HB2 HIS 83 -3.047 -3.543 22.509 675 HB3 HIS 83 HB1 HIS 83 -4.798 -3.692 22.589 676 HD1 HIS 83 HD1 HIS 83 -2.259 -5.886 22.243 677 HD2 HIS 83 HD2 HIS 83 -5.448 -5.024 19.732 678 HE1 HIS 83 HE1 HIS 83 -2.630 -7.971 20.896 679 HE2 HIS 83 HE2 HIS 83 -4.684 -7.485 19.522 680 H HIS 84 HN HIS 84 -5.146 -0.314 20.089 681 HA HIS 84 HA HIS 84 -5.922 0.838 22.634 682 HB2 HIS 84 HB2 HIS 84 -3.553 1.675 22.250 683 HB3 HIS 84 HB1 HIS 84 -4.113 2.465 20.783 684 HD1 HIS 84 HD1 HIS 84 -4.043 2.809 24.468 685 HD2 HIS 84 HD2 HIS 84 -5.866 4.704 21.257 686 HE1 HIS 84 HE1 HIS 84 -4.955 4.954 25.382 687 HE2 HIS 84 HE2 HIS 84 -6.228 5.978 23.473 688 H HIS 85 HN HIS 85 -7.937 0.419 21.804 689 HA HIS 85 HA HIS 85 -8.915 1.980 19.496 690 HB2 HIS 85 HB2 HIS 85 -10.302 -0.186 21.149 691 HB3 HIS 85 HB1 HIS 85 -10.994 0.616 19.743 692 HD1 HIS 85 HD1 HIS 85 -11.042 -1.087 17.932 693 HD2 HIS 85 HD2 HIS 85 -7.502 -1.286 20.093 694 HE1 HIS 85 HE1 HIS 85 -9.673 -2.874 16.823 695 HE2 HIS 85 HE2 HIS 85 -7.640 -3.118 18.286 696 H HIS 86 HN HIS 86 -10.465 3.608 19.788 697 HA HIS 86 HA HIS 86 -10.380 5.068 22.206 698 HB2 HIS 86 HB2 HIS 86 -11.981 6.605 21.168 699 HB3 HIS 86 HB1 HIS 86 -10.732 6.151 20.019 700 HD1 HIS 86 HD1 HIS 86 -11.468 4.651 17.985 701 HD2 HIS 86 HD2 HIS 86 -14.581 5.904 20.437 702 HE1 HIS 86 HE1 HIS 86 -13.576 4.167 16.705 703 HE2 HIS 86 HE2 HIS 86 -15.429 5.093 18.140 704 H HIS 87 HN HIS 87 -12.552 2.605 21.097 705 HA HIS 87 HA HIS 87 -14.446 2.953 23.315 706 HB2 HIS 87 HB2 HIS 87 -15.418 2.452 21.120 707 HB3 HIS 87 HB1 HIS 87 -14.388 1.036 20.936 708 HD1 HIS 87 HD1 HIS 87 -15.407 -1.128 21.640 709 HD2 HIS 87 HD2 HIS 87 -17.336 2.138 23.336 710 HE1 HIS 87 HE1 HIS 87 -17.391 -2.079 22.847 711 HE2 HIS 87 HE2 HIS 87 -18.489 -0.093 23.946 712 H282 PNS 88 H282 PNS 88 7.391 11.984 -9.419 713 H281 PNS 88 H281 PNS 88 7.407 12.079 -11.184 714 H303 PNS 88 H303 PNS 88 4.983 12.194 -9.108 715 H302 PNS 88 H302 PNS 88 4.757 12.498 -10.832 716 H301 PNS 88 H301 PNS 88 3.835 11.211 -10.037 717 H313 PNS 88 H313 PNS 88 4.842 9.152 -9.287 718 H312 PNS 88 H312 PNS 88 6.561 8.818 -9.524 719 H311 PNS 88 H311 PNS 88 6.060 10.012 -8.324 720 H32 PNS 88 H32 PNS 88 5.843 10.933 -12.578 721 H33 PNS 88 H33 PNS 88 6.166 8.286 -12.338 722 H36 PNS 88 H36 PNS 88 4.667 8.045 -10.850 723 H372 PNS 88 H372 PNS 88 1.895 8.428 -11.408 724 H371 PNS 88 H371 PNS 88 2.630 7.266 -12.519 725 H382 PNS 88 H382 PNS 88 1.668 6.080 -10.655 726 H381 PNS 88 H381 PNS 88 3.426 5.950 -10.584 727 H41 PNS 88 H41 PNS 88 0.843 8.156 -9.423 728 H422 PNS 88 H422 PNS 88 2.316 8.635 -6.893 729 H421 PNS 88 H421 PNS 88 0.982 9.597 -7.528 730 H431 PNS 88 H431 PNS 88 0.474 6.749 -6.756 731 H432 PNS 88 H432 PNS 88 -0.627 8.115 -6.792 732 H44 PNS 88 H44 PNS 88 1.846 8.419 -4.554 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -13.940 3.237 3.198 2 H2 MET 1 HT2 MET 1 -13.187 2.338 4.413 3 H3 MET 1 HT3 MET 1 -13.288 1.722 2.842 4 HA MET 1 HA MET 1 -11.084 2.517 3.328 5 HB2 MET 1 HB2 MET 1 -11.977 2.589 1.008 6 HB3 MET 1 HB1 MET 1 -12.576 4.218 1.280 7 HG2 MET 1 HG2 MET 1 -10.289 5.045 1.523 8 HG3 MET 1 HG1 MET 1 -9.658 3.405 1.343 9 HE1 MET 1 HE1 MET 1 -10.593 2.588 -2.389 10 HE2 MET 1 HE2 MET 1 -11.517 2.190 -0.941 11 HE3 MET 1 HE3 MET 1 -9.761 2.012 -0.945 12 HA PRO 2 HA PRO 2 -11.720 6.268 5.990 13 HB2 PRO 2 HB2 PRO 2 -10.604 5.393 8.266 14 HB3 PRO 2 HB1 PRO 2 -12.207 4.821 7.779 15 HG2 PRO 2 HG2 PRO 2 -9.541 3.444 7.474 16 HG3 PRO 2 HG1 PRO 2 -11.079 2.774 8.054 17 HD2 PRO 2 HD2 PRO 2 -10.153 2.506 5.455 18 HD3 PRO 2 HD1 PRO 2 -11.869 2.414 5.910 19 H THR 3 HN THR 3 -9.021 4.632 4.677 20 HA THR 3 HA THR 3 -6.842 5.892 5.940 21 HB THR 3 HB THR 3 -5.577 5.273 3.765 22 HG1 THR 3 HG1 THR 3 -7.183 3.523 2.758 23 HG21 THR 3 HG21 THR 3 -5.593 2.858 4.282 24 HG22 THR 3 HG22 THR 3 -7.060 3.060 5.245 25 HG23 THR 3 HG23 THR 3 -5.548 3.816 5.761 26 H LEU 4 HN LEU 4 -8.534 6.740 2.859 27 HA LEU 4 HA LEU 4 -6.928 8.811 1.984 28 HB2 LEU 4 HB2 LEU 4 -9.945 8.514 1.749 29 HB3 LEU 4 HB1 LEU 4 -9.008 9.691 0.838 30 HG LEU 4 HG LEU 4 -8.718 6.665 0.607 31 HD11 LEU 4 HD11 LEU 4 -9.755 6.915 -1.604 32 HD12 LEU 4 HD12 LEU 4 -10.015 8.635 -1.302 33 HD13 LEU 4 HD13 LEU 4 -10.849 7.427 -0.320 34 HD21 LEU 4 HD21 LEU 4 -6.592 7.800 0.157 35 HD22 LEU 4 HD22 LEU 4 -7.385 8.877 -0.996 36 HD23 LEU 4 HD23 LEU 4 -7.273 7.147 -1.331 37 H ASP 5 HN ASP 5 -9.696 8.984 4.198 38 HA ASP 5 HA ASP 5 -9.861 11.732 4.670 39 HB2 ASP 5 HB2 ASP 5 -10.412 9.464 6.638 40 HB3 ASP 5 HB1 ASP 5 -11.012 11.121 6.784 41 H ALA 6 HN ALA 6 -7.918 9.270 6.303 42 HA ALA 6 HA ALA 6 -6.663 11.024 8.197 43 HB1 ALA 6 HB1 ALA 6 -5.885 8.211 7.339 44 HB2 ALA 6 HB2 ALA 6 -6.971 8.622 8.668 45 HB3 ALA 6 HB3 ALA 6 -5.266 9.069 8.754 46 H LEU 7 HN LEU 7 -5.936 9.957 4.940 47 HA LEU 7 HA LEU 7 -3.156 10.706 4.952 48 HB2 LEU 7 HB2 LEU 7 -5.021 10.058 2.636 49 HB3 LEU 7 HB1 LEU 7 -3.297 10.331 2.469 50 HG LEU 7 HG LEU 7 -4.550 8.019 4.003 51 HD11 LEU 7 HD11 LEU 7 -3.231 8.008 1.269 52 HD12 LEU 7 HD12 LEU 7 -4.954 7.807 1.595 53 HD13 LEU 7 HD13 LEU 7 -3.808 6.589 2.152 54 HD21 LEU 7 HD21 LEU 7 -2.271 7.088 4.084 55 HD22 LEU 7 HD22 LEU 7 -2.376 8.623 4.940 56 HD23 LEU 7 HD23 LEU 7 -1.639 8.560 3.336 57 H THR 8 HN THR 8 -6.218 12.336 4.279 58 HA THR 8 HA THR 8 -5.424 14.270 2.442 59 HB THR 8 HB THR 8 -7.590 14.601 4.561 60 HG1 THR 8 HG1 THR 8 -7.410 12.898 2.556 61 HG21 THR 8 HG21 THR 8 -7.042 16.762 3.468 62 HG22 THR 8 HG22 THR 8 -8.634 16.187 2.975 63 HG23 THR 8 HG23 THR 8 -7.261 16.014 1.881 64 HA PRO 9 HA PRO 9 -4.233 17.385 6.085 65 HB2 PRO 9 HB2 PRO 9 -3.472 16.239 8.497 66 HB3 PRO 9 HB1 PRO 9 -5.103 16.845 8.173 67 HG2 PRO 9 HG2 PRO 9 -4.065 14.018 7.958 68 HG3 PRO 9 HG1 PRO 9 -5.554 14.606 8.736 69 HD2 PRO 9 HD2 PRO 9 -5.645 13.526 6.285 70 HD3 PRO 9 HD1 PRO 9 -6.646 14.946 6.672 71 H ILE 10 HN ILE 10 -2.772 14.189 5.658 72 HA ILE 10 HA ILE 10 -0.050 14.930 6.194 73 HB ILE 10 HB ILE 10 -1.006 12.646 4.405 74 HG12 ILE 10 HG12 ILE 10 -1.984 12.419 6.666 75 HG13 ILE 10 HG11 ILE 10 -0.805 11.153 6.365 76 HG21 ILE 10 HG21 ILE 10 1.209 11.607 4.883 77 HG22 ILE 10 HG22 ILE 10 1.688 13.062 5.754 78 HG23 ILE 10 HG23 ILE 10 1.358 13.142 4.024 79 HD11 ILE 10 HD11 ILE 10 -0.356 13.620 8.043 80 HD12 ILE 10 HD12 ILE 10 0.819 12.335 7.753 81 HD13 ILE 10 HD13 ILE 10 -0.665 11.991 8.640 82 H PHE 11 HN PHE 11 -2.002 14.654 3.209 83 HA PHE 11 HA PHE 11 0.044 15.357 1.357 84 HB2 PHE 11 HB2 PHE 11 -2.992 15.298 1.185 85 HB3 PHE 11 HB1 PHE 11 -2.012 15.844 -0.170 86 HD1 PHE 11 HD1 PHE 11 -1.921 12.904 2.202 87 HD2 PHE 11 HD2 PHE 11 -1.809 14.238 -1.848 88 HE1 PHE 11 HE1 PHE 11 -1.720 10.577 1.444 89 HE2 PHE 11 HE2 PHE 11 -1.600 11.909 -2.592 90 HZ PHE 11 HZ PHE 11 -1.554 10.076 -0.959 91 H ARG 12 HN ARG 12 -2.608 17.197 2.868 92 HA ARG 12 HA ARG 12 -2.142 19.724 1.749 93 HB2 ARG 12 HB2 ARG 12 -3.372 18.911 4.412 94 HB3 ARG 12 HB1 ARG 12 -3.348 20.584 3.858 95 HG2 ARG 12 HG2 ARG 12 -4.695 19.965 1.885 96 HG3 ARG 12 HG1 ARG 12 -4.700 18.276 2.405 97 HD2 ARG 12 HD2 ARG 12 -6.029 18.795 4.344 98 HD3 ARG 12 HD1 ARG 12 -5.835 20.536 4.095 99 HE ARG 12 HE ARG 12 -7.026 19.708 1.802 100 HH11 ARG 12 HH11 ARG 12 -7.913 19.235 5.158 101 HH12 ARG 12 HH12 ARG 12 -9.614 19.291 4.834 102 HH21 ARG 12 HH21 ARG 12 -9.240 19.793 1.396 103 HH22 ARG 12 HH22 ARG 12 -10.363 19.597 2.704 104 H GLN 13 HN GLN 13 -0.643 18.124 4.532 105 HA GLN 13 HA GLN 13 0.782 20.364 5.537 106 HB2 GLN 13 HB2 GLN 13 0.296 18.438 6.947 107 HB3 GLN 13 HB1 GLN 13 1.183 17.370 5.869 108 HG2 GLN 13 HG2 GLN 13 3.299 18.473 6.495 109 HG3 GLN 13 HG1 GLN 13 2.409 19.574 7.554 110 HE21 GLN 13 HE21 GLN 13 3.355 16.230 7.062 111 HE22 GLN 13 HE22 GLN 13 3.137 15.717 8.697 112 H VAL 14 HN VAL 14 1.841 17.549 3.570 113 HA VAL 14 HA VAL 14 4.512 18.214 3.186 114 HB VAL 14 HB VAL 14 2.702 16.686 1.245 115 HG11 VAL 14 HG11 VAL 14 4.817 15.694 0.347 116 HG12 VAL 14 HG12 VAL 14 5.746 16.805 1.356 117 HG13 VAL 14 HG13 VAL 14 4.718 17.433 0.067 118 HG21 VAL 14 HG21 VAL 14 2.812 15.629 3.484 119 HG22 VAL 14 HG22 VAL 14 4.571 15.608 3.399 120 HG23 VAL 14 HG23 VAL 14 3.626 14.635 2.270 121 H PHE 15 HN PHE 15 1.776 18.935 0.979 122 HA PHE 15 HA PHE 15 3.472 20.518 -0.782 123 HB2 PHE 15 HB2 PHE 15 0.501 19.899 -0.928 124 HB3 PHE 15 HB1 PHE 15 1.411 20.757 -2.172 125 HD1 PHE 15 HD1 PHE 15 3.444 19.518 -3.208 126 HD2 PHE 15 HD2 PHE 15 0.359 17.528 -1.021 127 HE1 PHE 15 HE1 PHE 15 4.084 17.384 -4.232 128 HE2 PHE 15 HE2 PHE 15 1.007 15.402 -2.055 129 HZ PHE 15 HZ PHE 15 2.876 15.327 -3.654 130 H ASP 16 HN ASP 16 1.720 21.209 2.032 131 HA ASP 16 HA ASP 16 1.718 23.123 3.253 132 HB2 ASP 16 HB2 ASP 16 3.783 23.855 2.102 133 HB3 ASP 16 HB1 ASP 16 2.838 24.490 0.763 134 H ASP 17 HN ASP 17 -0.158 22.516 0.580 135 HA ASP 17 HA ASP 17 -1.873 24.914 0.879 136 HB2 ASP 17 HB2 ASP 17 -0.900 24.720 -1.358 137 HB3 ASP 17 HB1 ASP 17 -1.463 23.054 -1.496 138 H ASP 18 HN ASP 18 -3.914 24.673 1.500 139 HA ASP 18 HA ASP 18 -4.800 22.100 2.504 140 HB2 ASP 18 HB2 ASP 18 -6.480 23.340 3.733 141 HB3 ASP 18 HB1 ASP 18 -4.931 24.157 3.903 142 H SER 19 HN SER 19 -5.185 23.447 -0.501 143 HA SER 19 HA SER 19 -8.029 23.100 -0.908 144 HB2 SER 19 HB2 SER 19 -5.861 23.324 -3.043 145 HB3 SER 19 HB1 SER 19 -7.594 23.606 -3.257 146 HG SER 19 HG SER 19 -5.649 25.180 -1.995 147 H ILE 20 HN ILE 20 -5.366 20.979 -0.784 148 HA ILE 20 HA ILE 20 -6.047 19.026 -2.711 149 HB ILE 20 HB ILE 20 -4.485 18.654 -0.114 150 HG12 ILE 20 HG12 ILE 20 -3.463 19.326 -2.919 151 HG13 ILE 20 HG11 ILE 20 -3.561 20.466 -1.580 152 HG21 ILE 20 HG21 ILE 20 -3.441 16.699 -1.241 153 HG22 ILE 20 HG22 ILE 20 -4.505 16.927 -2.629 154 HG23 ILE 20 HG23 ILE 20 -5.184 16.482 -1.062 155 HD11 ILE 20 HD11 ILE 20 -1.310 19.690 -1.901 156 HD12 ILE 20 HD12 ILE 20 -1.819 18.015 -1.713 157 HD13 ILE 20 HD13 ILE 20 -1.922 19.127 -0.344 158 H VAL 21 HN VAL 21 -7.836 17.864 -2.744 159 HA VAL 21 HA VAL 21 -9.034 16.768 -0.263 160 HB VAL 21 HB VAL 21 -10.437 17.309 -2.939 161 HG11 VAL 21 HG11 VAL 21 -11.618 16.368 -0.288 162 HG12 VAL 21 HG12 VAL 21 -11.396 15.376 -1.731 163 HG13 VAL 21 HG13 VAL 21 -12.529 16.726 -1.759 164 HG21 VAL 21 HG21 VAL 21 -10.727 18.848 -0.327 165 HG22 VAL 21 HG22 VAL 21 -11.674 19.113 -1.795 166 HG23 VAL 21 HG23 VAL 21 -9.939 19.433 -1.791 167 H LEU 22 HN LEU 22 -9.070 14.515 -0.214 168 HA LEU 22 HA LEU 22 -7.836 13.160 -2.513 169 HB2 LEU 22 HB2 LEU 22 -8.216 12.226 0.347 170 HB3 LEU 22 HB1 LEU 22 -7.491 11.259 -0.934 171 HG LEU 22 HG LEU 22 -6.370 13.784 0.337 172 HD11 LEU 22 HD11 LEU 22 -4.466 12.335 0.867 173 HD12 LEU 22 HD12 LEU 22 -5.291 10.965 0.118 174 HD13 LEU 22 HD13 LEU 22 -5.967 11.727 1.561 175 HD21 LEU 22 HD21 LEU 22 -5.974 14.005 -2.073 176 HD22 LEU 22 HD22 LEU 22 -5.307 12.372 -2.146 177 HD23 LEU 22 HD23 LEU 22 -4.467 13.635 -1.242 178 H THR 23 HN THR 23 -8.721 11.642 -3.596 179 HA THR 23 HA THR 23 -11.138 10.206 -2.788 180 HB THR 23 HB THR 23 -11.892 10.212 -5.206 181 HG1 THR 23 HG1 THR 23 -9.943 12.270 -5.490 182 HG21 THR 23 HG21 THR 23 -12.895 12.466 -5.250 183 HG22 THR 23 HG22 THR 23 -11.791 12.989 -3.977 184 HG23 THR 23 HG23 THR 23 -13.008 11.756 -3.639 185 H ARG 24 HN ARG 24 -11.233 8.253 -4.489 186 HA ARG 24 HA ARG 24 -8.923 6.691 -4.153 187 HB2 ARG 24 HB2 ARG 24 -11.236 6.335 -6.104 188 HB3 ARG 24 HB1 ARG 24 -10.019 5.105 -5.766 189 HG2 ARG 24 HG2 ARG 24 -10.727 4.977 -3.436 190 HG3 ARG 24 HG1 ARG 24 -11.884 6.286 -3.689 191 HD2 ARG 24 HD2 ARG 24 -13.136 4.865 -5.281 192 HD3 ARG 24 HD1 ARG 24 -11.968 3.557 -5.020 193 HE ARG 24 HE ARG 24 -13.301 4.594 -2.645 194 HH11 ARG 24 HH11 ARG 24 -13.339 2.108 -5.123 195 HH12 ARG 24 HH12 ARG 24 -14.234 0.993 -4.142 196 HH21 ARG 24 HH21 ARG 24 -14.466 3.125 -1.394 197 HH22 ARG 24 HH22 ARG 24 -14.905 1.583 -2.053 198 H GLU 25 HN GLU 25 -10.064 8.519 -7.027 199 HA GLU 25 HA GLU 25 -7.876 7.438 -8.654 200 HB2 GLU 25 HB2 GLU 25 -9.123 8.592 -10.529 201 HB3 GLU 25 HB1 GLU 25 -10.038 7.347 -9.686 202 HG2 GLU 25 HG2 GLU 25 -11.177 9.157 -8.366 203 HG3 GLU 25 HG1 GLU 25 -10.343 10.351 -9.364 204 H THR 26 HN THR 26 -8.126 10.010 -6.554 205 HA THR 26 HA THR 26 -6.812 12.144 -7.692 206 HB THR 26 HB THR 26 -6.395 10.898 -4.938 207 HG1 THR 26 HG1 THR 26 -7.767 13.306 -5.389 208 HG21 THR 26 HG21 THR 26 -5.549 13.691 -5.827 209 HG22 THR 26 HG22 THR 26 -4.449 12.367 -5.441 210 HG23 THR 26 HG23 THR 26 -5.474 13.062 -4.186 211 H SER 27 HN SER 27 -4.839 12.445 -8.623 212 HA SER 27 HA SER 27 -2.620 10.580 -8.142 213 HB2 SER 27 HB2 SER 27 -3.600 11.278 -10.956 214 HB3 SER 27 HB1 SER 27 -2.222 10.255 -10.553 215 HG SER 27 HG SER 27 -4.902 9.711 -9.800 216 H ALA 28 HN ALA 28 -0.590 11.407 -8.932 217 HA ALA 28 HA ALA 28 -0.006 14.046 -8.275 218 HB1 ALA 28 HB1 ALA 28 1.580 12.186 -8.153 219 HB2 ALA 28 HB2 ALA 28 2.245 13.520 -9.097 220 HB3 ALA 28 HB3 ALA 28 1.619 12.084 -9.915 221 H ASN 29 HN ASN 29 -1.082 12.772 -11.310 222 HA ASN 29 HA ASN 29 -0.001 14.587 -13.172 223 HB2 ASN 29 HB2 ASN 29 -1.256 12.355 -13.554 224 HB3 ASN 29 HB1 ASN 29 -2.741 13.259 -13.350 225 HD21 ASN 29 HD21 ASN 29 -1.824 15.623 -14.926 226 HD22 ASN 29 HD22 ASN 29 -1.776 15.098 -16.557 227 H ASP 30 HN ASP 30 -2.780 14.785 -11.022 228 HA ASP 30 HA ASP 30 -3.970 17.144 -12.231 229 HB2 ASP 30 HB2 ASP 30 -5.364 15.383 -11.207 230 HB3 ASP 30 HB1 ASP 30 -4.585 15.651 -9.654 231 H ILE 31 HN ILE 31 -1.396 16.664 -10.054 232 HA ILE 31 HA ILE 31 -1.667 19.378 -8.860 233 HB ILE 31 HB ILE 31 -0.389 16.911 -7.565 234 HG12 ILE 31 HG12 ILE 31 -2.925 18.467 -6.838 235 HG13 ILE 31 HG11 ILE 31 -2.852 16.818 -7.447 236 HG21 ILE 31 HG21 ILE 31 0.040 18.340 -5.584 237 HG22 ILE 31 HG22 ILE 31 -0.568 19.748 -6.459 238 HG23 ILE 31 HG23 ILE 31 0.903 18.934 -7.000 239 HD11 ILE 31 HD11 ILE 31 -1.861 17.767 -4.754 240 HD12 ILE 31 HD12 ILE 31 -1.778 16.109 -5.356 241 HD13 ILE 31 HD13 ILE 31 -3.343 16.867 -5.081 242 H ASP 32 HN ASP 32 -0.325 20.626 -9.985 243 HA ASP 32 HA ASP 32 1.837 19.753 -11.596 244 HB2 ASP 32 HB2 ASP 32 0.572 21.843 -12.073 245 HB3 ASP 32 HB1 ASP 32 1.229 22.583 -10.617 246 H ALA 33 HN ALA 33 1.709 21.173 -8.367 247 HA ALA 33 HA ALA 33 4.478 21.639 -7.975 248 HB1 ALA 33 HB1 ALA 33 3.876 21.926 -5.610 249 HB2 ALA 33 HB2 ALA 33 2.298 21.194 -5.911 250 HB3 ALA 33 HB3 ALA 33 2.710 22.740 -6.657 251 H TRP 34 HN TRP 34 2.756 18.676 -8.056 252 HA TRP 34 HA TRP 34 4.318 17.172 -6.170 253 HB2 TRP 34 HB2 TRP 34 1.882 16.740 -7.084 254 HB3 TRP 34 HB1 TRP 34 2.680 15.972 -8.441 255 HD1 TRP 34 HD1 TRP 34 4.881 14.251 -6.933 256 HE1 TRP 34 HE1 TRP 34 4.156 12.277 -5.474 257 HE3 TRP 34 HE3 TRP 34 0.025 15.574 -6.048 258 HZ2 TRP 34 HZ2 TRP 34 1.898 11.376 -4.129 259 HZ3 TRP 34 HZ3 TRP 34 -1.360 14.076 -4.676 260 HH2 TRP 34 HH2 TRP 34 -0.437 12.016 -3.745 261 H ASP 35 HN ASP 35 6.377 16.563 -6.541 262 HA ASP 35 HA ASP 35 7.347 15.783 -9.235 263 HB2 ASP 35 HB2 ASP 35 8.819 17.114 -6.911 264 HB3 ASP 35 HB1 ASP 35 9.676 16.311 -8.225 265 H SER 36 HN SER 36 9.611 14.400 -8.609 266 HA SER 36 HA SER 36 8.693 11.893 -7.658 267 HB2 SER 36 HB2 SER 36 11.488 12.931 -8.302 268 HB3 SER 36 HB1 SER 36 11.138 11.257 -7.916 269 H LEU 37 HN LEU 37 10.869 14.375 -6.415 270 HA LEU 37 HA LEU 37 11.562 13.136 -3.967 271 HB2 LEU 37 HB2 LEU 37 12.704 15.082 -5.258 272 HB3 LEU 37 HB1 LEU 37 11.548 16.133 -4.475 273 HG LEU 37 HG LEU 37 13.868 16.064 -3.448 274 HD11 LEU 37 HD11 LEU 37 11.633 15.336 -1.547 275 HD12 LEU 37 HD12 LEU 37 12.016 16.949 -2.148 276 HD13 LEU 37 HD13 LEU 37 13.167 16.104 -1.117 277 HD21 LEU 37 HD21 LEU 37 14.510 14.186 -2.021 278 HD22 LEU 37 HD22 LEU 37 14.316 13.671 -3.694 279 HD23 LEU 37 HD23 LEU 37 13.063 13.296 -2.509 280 H SER 38 HN SER 38 8.875 15.200 -4.946 281 HA SER 38 HA SER 38 7.772 15.729 -2.359 282 HB2 SER 38 HB2 SER 38 6.323 15.629 -5.039 283 HB3 SER 38 HB1 SER 38 5.762 16.429 -3.568 284 HG SER 38 HG SER 38 7.440 17.885 -3.762 285 H HIS 39 HN HIS 39 7.229 13.264 -4.837 286 HA HIS 39 HA HIS 39 5.116 11.849 -3.648 287 HB2 HIS 39 HB2 HIS 39 6.063 11.666 -6.067 288 HB3 HIS 39 HB1 HIS 39 7.238 10.534 -5.403 289 HD2 HIS 39 HD2 HIS 39 6.302 8.096 -6.159 290 HE1 HIS 39 HE1 HIS 39 2.218 8.805 -5.366 291 HE2 HIS 39 HE2 HIS 39 3.905 7.156 -6.262 292 H MET 40 HN MET 40 8.599 11.541 -3.347 293 HA MET 40 HA MET 40 8.578 9.289 -1.571 294 HB2 MET 40 HB2 MET 40 10.742 11.313 -2.258 295 HB3 MET 40 HB1 MET 40 11.004 9.921 -1.208 296 HG2 MET 40 HG2 MET 40 10.169 9.796 -4.117 297 HG3 MET 40 HG1 MET 40 11.793 9.496 -3.488 298 HE1 MET 40 HE1 MET 40 11.191 7.811 -0.797 299 HE2 MET 40 HE2 MET 40 12.431 7.350 -1.966 300 HE3 MET 40 HE3 MET 40 11.236 6.167 -1.426 301 H ASN 41 HN ASN 41 8.498 12.815 -1.149 302 HA ASN 41 HA ASN 41 8.887 12.926 1.655 303 HB2 ASN 41 HB2 ASN 41 7.388 14.789 -0.229 304 HB3 ASN 41 HB1 ASN 41 7.458 15.098 1.501 305 HD21 ASN 41 HD21 ASN 41 8.466 16.681 -0.717 306 HD22 ASN 41 HD22 ASN 41 10.147 16.913 -0.406 307 H LEU 42 HN LEU 42 6.034 12.287 -0.337 308 HA LEU 42 HA LEU 42 4.082 12.188 1.697 309 HB2 LEU 42 HB2 LEU 42 4.287 11.171 -1.113 310 HB3 LEU 42 HB1 LEU 42 3.128 10.325 -0.110 311 HG LEU 42 HG LEU 42 2.057 12.122 -1.412 312 HD11 LEU 42 HD11 LEU 42 2.098 12.684 1.571 313 HD12 LEU 42 HD12 LEU 42 1.100 11.481 0.744 314 HD13 LEU 42 HD13 LEU 42 0.857 13.194 0.423 315 HD21 LEU 42 HD21 LEU 42 3.966 13.651 -1.555 316 HD22 LEU 42 HD22 LEU 42 3.825 13.995 0.174 317 HD23 LEU 42 HD23 LEU 42 2.533 14.462 -0.934 318 H ILE 43 HN ILE 43 5.975 9.577 0.202 319 HA ILE 43 HA ILE 43 4.852 7.487 1.688 320 HB ILE 43 HB ILE 43 7.262 7.777 -0.081 321 HG12 ILE 43 HG12 ILE 43 6.171 5.895 -1.313 322 HG13 ILE 43 HG11 ILE 43 4.936 5.788 -0.071 323 HG21 ILE 43 HG21 ILE 43 8.018 5.448 0.282 324 HG22 ILE 43 HG22 ILE 43 6.915 5.311 1.655 325 HG23 ILE 43 HG23 ILE 43 8.261 6.452 1.711 326 HD11 ILE 43 HD11 ILE 43 5.386 8.083 -1.975 327 HD12 ILE 43 HD12 ILE 43 4.164 8.049 -0.699 328 HD13 ILE 43 HD13 ILE 43 4.089 6.892 -2.027 329 H VAL 44 HN VAL 44 7.850 9.385 2.330 330 HA VAL 44 HA VAL 44 8.602 7.859 4.613 331 HB VAL 44 HB VAL 44 10.245 9.588 5.096 332 HG11 VAL 44 HG11 VAL 44 11.529 9.497 2.975 333 HG12 VAL 44 HG12 VAL 44 10.079 8.955 2.130 334 HG13 VAL 44 HG13 VAL 44 10.798 7.937 3.379 335 HG21 VAL 44 HG21 VAL 44 8.961 11.258 2.902 336 HG22 VAL 44 HG22 VAL 44 10.467 11.647 3.737 337 HG23 VAL 44 HG23 VAL 44 8.946 11.625 4.628 338 H SER 45 HN SER 45 6.566 10.723 4.203 339 HA SER 45 HA SER 45 6.120 11.295 6.953 340 HB2 SER 45 HB2 SER 45 4.313 11.731 4.536 341 HB3 SER 45 HB1 SER 45 3.975 12.365 6.149 342 HG SER 45 HG SER 45 6.380 12.902 4.747 343 H LEU 46 HN LEU 46 4.607 9.006 4.693 344 HA LEU 46 HA LEU 46 2.552 8.133 6.493 345 HB2 LEU 46 HB2 LEU 46 3.637 6.683 4.048 346 HB3 LEU 46 HB1 LEU 46 2.104 6.374 4.851 347 HG LEU 46 HG LEU 46 2.850 8.829 3.193 348 HD11 LEU 46 HD11 LEU 46 2.235 6.880 1.875 349 HD12 LEU 46 HD12 LEU 46 1.018 8.146 1.737 350 HD13 LEU 46 HD13 LEU 46 0.710 6.731 2.750 351 HD21 LEU 46 HD21 LEU 46 0.303 8.421 4.800 352 HD22 LEU 46 HD22 LEU 46 0.608 9.720 3.639 353 HD23 LEU 46 HD23 LEU 46 1.568 9.614 5.109 354 H GLU 47 HN GLU 47 5.862 7.156 5.843 355 HA GLU 47 HA GLU 47 5.962 4.632 7.097 356 HB2 GLU 47 HB2 GLU 47 8.182 6.715 6.835 357 HB3 GLU 47 HB1 GLU 47 8.436 5.040 7.311 358 HG2 GLU 47 HG2 GLU 47 7.354 5.941 4.640 359 HG3 GLU 47 HG1 GLU 47 9.030 5.519 4.956 360 H VAL 48 HN VAL 48 6.914 7.842 8.350 361 HA VAL 48 HA VAL 48 7.436 6.909 10.983 362 HB VAL 48 HB VAL 48 7.669 9.319 11.589 363 HG11 VAL 48 HG11 VAL 48 9.609 9.795 10.125 364 HG12 VAL 48 HG12 VAL 48 9.078 8.529 9.013 365 HG13 VAL 48 HG13 VAL 48 9.585 8.109 10.650 366 HG21 VAL 48 HG21 VAL 48 7.479 11.083 9.853 367 HG22 VAL 48 HG22 VAL 48 5.919 10.314 10.155 368 HG23 VAL 48 HG23 VAL 48 6.845 9.896 8.712 369 H HIS 49 HN HIS 49 4.615 8.543 9.548 370 HA HIS 49 HA HIS 49 3.233 9.039 11.977 371 HB2 HIS 49 HB2 HIS 49 2.441 9.105 9.058 372 HB3 HIS 49 HB1 HIS 49 1.189 9.232 10.281 373 HD1 HIS 49 HD1 HIS 49 0.749 11.504 11.191 374 HD2 HIS 49 HD2 HIS 49 4.429 11.298 9.293 375 HE1 HIS 49 HE1 HIS 49 1.602 13.861 11.130 376 HE2 HIS 49 HE2 HIS 49 3.887 13.690 10.092 377 H TYR 50 HN TYR 50 2.732 6.481 9.503 378 HA TYR 50 HA TYR 50 0.761 5.148 11.246 379 HB2 TYR 50 HB2 TYR 50 1.551 4.569 8.364 380 HB3 TYR 50 HB1 TYR 50 0.258 3.765 9.246 381 HD1 TYR 50 HD1 TYR 50 -1.760 5.161 10.022 382 HD2 TYR 50 HD2 TYR 50 1.132 6.673 7.257 383 HE1 TYR 50 HE1 TYR 50 -3.341 6.914 9.323 384 HE2 TYR 50 HE2 TYR 50 -0.457 8.415 6.560 385 HH TYR 50 HH TYR 50 -2.909 8.788 6.548 386 H LYS 51 HN LYS 51 4.044 5.041 10.854 387 HA LYS 51 HA LYS 51 5.727 3.691 11.442 388 HB2 LYS 51 HB2 LYS 51 3.557 2.229 12.986 389 HB3 LYS 51 HB1 LYS 51 5.244 1.753 13.069 390 HG2 LYS 51 HG2 LYS 51 4.785 3.067 15.009 391 HG3 LYS 51 HG1 LYS 51 5.787 4.052 13.940 392 HD2 LYS 51 HD2 LYS 51 3.775 5.293 13.198 393 HD3 LYS 51 HD1 LYS 51 2.766 4.282 14.236 394 HE2 LYS 51 HE2 LYS 51 3.193 6.462 15.281 395 HE3 LYS 51 HE1 LYS 51 3.925 5.166 16.229 396 HZ1 LYS 51 HZ1 LYS 51 5.360 6.931 14.316 397 HZ2 LYS 51 HZ2 LYS 51 6.059 5.702 15.244 398 HZ3 LYS 51 HZ3 LYS 51 5.399 7.056 16.002 399 H ILE 52 HN ILE 52 4.384 3.207 8.911 400 HA ILE 52 HA ILE 52 4.325 0.262 8.584 401 HB ILE 52 HB ILE 52 3.098 0.702 6.466 402 HG12 ILE 52 HG12 ILE 52 3.221 3.647 7.283 403 HG13 ILE 52 HG11 ILE 52 4.011 2.936 5.881 404 HG21 ILE 52 HG21 ILE 52 1.816 2.042 8.874 405 HG22 ILE 52 HG22 ILE 52 1.833 0.311 8.541 406 HG23 ILE 52 HG23 ILE 52 0.954 1.404 7.472 407 HD11 ILE 52 HD11 ILE 52 2.040 4.159 5.223 408 HD12 ILE 52 HD12 ILE 52 1.040 3.211 6.320 409 HD13 ILE 52 HD13 ILE 52 1.792 2.434 4.926 410 H LYS 53 HN LYS 53 4.876 -0.092 5.958 411 HA LYS 53 HA LYS 53 7.565 1.006 5.482 412 HB2 LYS 53 HB2 LYS 53 8.016 -0.956 6.814 413 HB3 LYS 53 HB1 LYS 53 6.881 -1.933 5.903 414 HG2 LYS 53 HG2 LYS 53 9.256 -0.810 4.436 415 HG3 LYS 53 HG1 LYS 53 9.541 -2.127 5.571 416 HD2 LYS 53 HD2 LYS 53 7.968 -3.561 4.340 417 HD3 LYS 53 HD1 LYS 53 7.576 -2.237 3.246 418 HE2 LYS 53 HE2 LYS 53 9.921 -2.240 2.435 419 HE3 LYS 53 HE1 LYS 53 10.274 -3.611 3.492 420 HZ1 LYS 53 HZ1 LYS 53 8.258 -3.589 1.307 421 HZ2 LYS 53 HZ2 LYS 53 8.636 -4.909 2.292 422 HZ3 LYS 53 HZ3 LYS 53 9.793 -4.305 1.216 423 H PHE 54 HN PHE 54 7.248 1.910 3.486 424 HA PHE 54 HA PHE 54 6.268 0.202 1.280 425 HB2 PHE 54 HB2 PHE 54 7.055 3.168 1.243 426 HB3 PHE 54 HB1 PHE 54 6.521 2.246 -0.152 427 HD1 PHE 54 HD2 PHE 54 4.144 1.450 -0.308 428 HD2 PHE 54 HD1 PHE 54 5.437 4.075 2.814 429 HE1 PHE 54 HE2 PHE 54 1.819 2.094 0.138 430 HE2 PHE 54 HE1 PHE 54 3.099 4.701 3.247 431 HZ PHE 54 HZ PHE 54 1.289 3.709 1.904 432 H ALA 55 HN ALA 55 7.681 -0.696 -0.079 433 HA ALA 55 HA ALA 55 10.550 0.067 -0.072 434 HB1 ALA 55 HB1 ALA 55 10.912 -2.077 -1.232 435 HB2 ALA 55 HB2 ALA 55 9.177 -2.407 -1.198 436 HB3 ALA 55 HB3 ALA 55 10.091 -2.328 0.309 437 H LEU 56 HN LEU 56 11.526 0.005 -2.383 438 HA LEU 56 HA LEU 56 10.265 1.887 -4.049 439 HB2 LEU 56 HB2 LEU 56 12.766 1.272 -3.897 440 HB3 LEU 56 HB1 LEU 56 12.419 -0.081 -4.949 441 HG LEU 56 HG LEU 56 13.473 1.964 -6.052 442 HD11 LEU 56 HD11 LEU 56 10.834 1.099 -7.258 443 HD12 LEU 56 HD12 LEU 56 12.382 0.272 -7.429 444 HD13 LEU 56 HD13 LEU 56 12.170 1.881 -8.111 445 HD21 LEU 56 HD21 LEU 56 10.744 3.226 -5.659 446 HD22 LEU 56 HD22 LEU 56 12.089 3.899 -6.587 447 HD23 LEU 56 HD23 LEU 56 12.237 3.700 -4.843 448 H GLY 57 HN GLY 57 10.253 -1.667 -4.175 449 HA2 GLY 57 HA2 GLY 57 8.879 -2.058 -6.620 450 HA3 GLY 57 HA1 GLY 57 8.890 -3.169 -5.258 451 H GLU 58 HN GLU 58 7.750 -1.415 -3.346 452 HA GLU 58 HA GLU 58 4.939 -1.650 -3.931 453 HB2 GLU 58 HB2 GLU 58 6.285 -0.417 -1.490 454 HB3 GLU 58 HB1 GLU 58 4.578 -0.865 -1.626 455 HG2 GLU 58 HG2 GLU 58 5.307 -3.244 -1.999 456 HG3 GLU 58 HG1 GLU 58 6.965 -2.743 -1.668 457 H LEU 59 HN LEU 59 7.310 0.893 -4.025 458 HA LEU 59 HA LEU 59 5.577 3.141 -4.264 459 HB2 LEU 59 HB2 LEU 59 8.477 2.574 -4.842 460 HB3 LEU 59 HB1 LEU 59 7.788 3.937 -5.682 461 HG LEU 59 HG LEU 59 9.066 4.369 -3.450 462 HD11 LEU 59 HD11 LEU 59 7.831 6.101 -4.613 463 HD12 LEU 59 HD12 LEU 59 7.618 6.248 -2.868 464 HD13 LEU 59 HD13 LEU 59 6.323 5.572 -3.861 465 HD21 LEU 59 HD21 LEU 59 6.395 3.538 -2.256 466 HD22 LEU 59 HD22 LEU 59 7.768 4.248 -1.396 467 HD23 LEU 59 HD23 LEU 59 7.912 2.643 -2.101 468 H GLN 60 HN GLN 60 6.992 0.840 -6.582 469 HA GLN 60 HA GLN 60 5.890 2.018 -8.938 470 HB2 GLN 60 HB2 GLN 60 6.788 -0.852 -8.481 471 HB3 GLN 60 HB1 GLN 60 6.527 -0.096 -10.049 472 HG2 GLN 60 HG2 GLN 60 8.636 0.759 -8.039 473 HG3 GLN 60 HG1 GLN 60 8.927 -0.300 -9.413 474 HE21 GLN 60 HE21 GLN 60 10.505 1.141 -10.204 475 HE22 GLN 60 HE22 GLN 60 10.093 2.637 -10.960 476 H LYS 61 HN LYS 61 4.547 -0.026 -6.482 477 HA LYS 61 HA LYS 61 2.178 -0.856 -7.903 478 HB2 LYS 61 HB2 LYS 61 2.838 -0.721 -4.934 479 HB3 LYS 61 HB1 LYS 61 1.332 -1.385 -5.554 480 HG2 LYS 61 HG2 LYS 61 4.081 -2.466 -6.271 481 HG3 LYS 61 HG1 LYS 61 3.099 -3.090 -4.942 482 HD2 LYS 61 HD2 LYS 61 2.278 -3.060 -7.881 483 HD3 LYS 61 HD1 LYS 61 2.896 -4.465 -7.006 484 HE2 LYS 61 HE2 LYS 61 0.941 -4.320 -5.460 485 HE3 LYS 61 HE1 LYS 61 0.316 -2.970 -6.409 486 HZ1 LYS 61 HZ1 LYS 61 0.764 -5.727 -7.404 487 HZ2 LYS 61 HZ2 LYS 61 0.157 -4.436 -8.312 488 HZ3 LYS 61 HZ3 LYS 61 -0.732 -5.041 -7.010 489 H LEU 62 HN LEU 62 3.185 2.075 -6.306 490 HA LEU 62 HA LEU 62 0.492 3.079 -5.796 491 HB2 LEU 62 HB2 LEU 62 3.156 4.531 -5.535 492 HB3 LEU 62 HB1 LEU 62 1.613 5.053 -4.870 493 HG LEU 62 HG LEU 62 3.149 2.579 -4.008 494 HD11 LEU 62 HD11 LEU 62 2.845 5.228 -2.586 495 HD12 LEU 62 HD12 LEU 62 4.317 4.584 -3.319 496 HD13 LEU 62 HD13 LEU 62 3.608 3.779 -1.922 497 HD21 LEU 62 HD21 LEU 62 0.753 2.229 -3.734 498 HD22 LEU 62 HD22 LEU 62 0.598 3.753 -2.854 499 HD23 LEU 62 HD23 LEU 62 1.525 2.419 -2.162 500 H LYS 63 HN LYS 63 -0.279 3.014 -7.952 501 HA LYS 63 HA LYS 63 0.862 4.774 -10.000 502 HB2 LYS 63 HB2 LYS 63 -0.060 2.434 -10.447 503 HB3 LYS 63 HB1 LYS 63 -1.664 3.045 -10.089 504 HG2 LYS 63 HG2 LYS 63 -0.031 4.339 -12.278 505 HG3 LYS 63 HG1 LYS 63 -0.814 2.794 -12.590 506 HD2 LYS 63 HD2 LYS 63 -2.239 5.334 -11.704 507 HD3 LYS 63 HD1 LYS 63 -2.161 4.735 -13.363 508 HE2 LYS 63 HE2 LYS 63 -3.371 2.676 -12.653 509 HE3 LYS 63 HE1 LYS 63 -3.469 3.317 -11.009 510 HZ1 LYS 63 HZ1 LYS 63 -4.717 4.450 -13.446 511 HZ2 LYS 63 HZ2 LYS 63 -4.711 5.216 -11.941 512 HZ3 LYS 63 HZ3 LYS 63 -5.507 3.739 -12.130 513 H ASN 64 HN ASN 64 -1.712 4.714 -7.632 514 HA ASN 64 HA ASN 64 -1.984 7.579 -7.862 515 HB2 ASN 64 HB2 ASN 64 -4.385 7.691 -8.149 516 HB3 ASN 64 HB1 ASN 64 -3.729 6.742 -9.469 517 HD21 ASN 64 HD21 ASN 64 -3.526 4.286 -7.803 518 HD22 ASN 64 HD22 ASN 64 -5.141 3.724 -7.628 519 H VAL 65 HN VAL 65 -3.690 8.324 -6.128 520 HA VAL 65 HA VAL 65 -2.719 7.509 -3.576 521 HB VAL 65 HB VAL 65 -5.032 9.377 -4.266 522 HG11 VAL 65 HG11 VAL 65 -4.709 10.365 -2.009 523 HG12 VAL 65 HG12 VAL 65 -3.504 9.127 -1.648 524 HG13 VAL 65 HG13 VAL 65 -5.183 8.666 -1.914 525 HG21 VAL 65 HG21 VAL 65 -2.911 10.108 -5.286 526 HG22 VAL 65 HG22 VAL 65 -2.105 10.013 -3.719 527 HG23 VAL 65 HG23 VAL 65 -3.379 11.204 -3.981 528 H GLY 66 HN GLY 66 -5.361 6.407 -5.509 529 HA2 GLY 66 HA2 GLY 66 -6.910 5.063 -3.533 530 HA3 GLY 66 HA1 GLY 66 -6.798 4.636 -5.235 531 H ASP 67 HN ASP 67 -3.869 4.306 -5.143 532 HA ASP 67 HA ASP 67 -3.679 1.634 -4.063 533 HB2 ASP 67 HB2 ASP 67 -1.544 3.400 -5.326 534 HB3 ASP 67 HB1 ASP 67 -1.302 1.720 -4.851 535 H LEU 68 HN LEU 68 -2.546 4.893 -3.050 536 HA LEU 68 HA LEU 68 -1.181 3.970 -0.732 537 HB2 LEU 68 HB2 LEU 68 -2.482 6.641 -1.369 538 HB3 LEU 68 HB1 LEU 68 -1.831 6.327 0.224 539 HG LEU 68 HG LEU 68 -0.156 7.546 -0.903 540 HD11 LEU 68 HD11 LEU 68 0.689 4.653 -1.023 541 HD12 LEU 68 HD12 LEU 68 0.734 5.706 0.391 542 HD13 LEU 68 HD13 LEU 68 1.767 6.051 -0.995 543 HD21 LEU 68 HD21 LEU 68 -0.944 7.326 -3.215 544 HD22 LEU 68 HD22 LEU 68 -0.380 5.654 -3.271 545 HD23 LEU 68 HD23 LEU 68 0.780 6.978 -3.120 546 H ALA 69 HN ALA 69 -4.587 4.626 -1.425 547 HA ALA 69 HA ALA 69 -5.640 4.325 1.177 548 HB1 ALA 69 HB1 ALA 69 -7.789 3.873 0.063 549 HB2 ALA 69 HB2 ALA 69 -6.958 3.654 -1.480 550 HB3 ALA 69 HB3 ALA 69 -6.962 5.234 -0.700 551 H ASP 70 HN ASP 70 -5.007 2.006 -1.442 552 HA ASP 70 HA ASP 70 -5.911 -0.357 -0.208 553 HB2 ASP 70 HB2 ASP 70 -5.511 -0.252 -2.631 554 HB3 ASP 70 HB1 ASP 70 -3.802 0.074 -2.379 555 H LEU 71 HN LEU 71 -2.557 0.848 -0.568 556 HA LEU 71 HA LEU 71 -1.365 -1.322 0.751 557 HB2 LEU 71 HB2 LEU 71 -0.336 1.331 -0.205 558 HB3 LEU 71 HB1 LEU 71 0.638 0.485 0.970 559 HG LEU 71 HG LEU 71 1.557 -0.025 -1.159 560 HD11 LEU 71 HD11 LEU 71 -0.055 -2.456 -0.321 561 HD12 LEU 71 HD12 LEU 71 1.480 -1.931 0.375 562 HD13 LEU 71 HD13 LEU 71 1.414 -2.448 -1.305 563 HD21 LEU 71 HD21 LEU 71 0.303 -0.975 -3.038 564 HD22 LEU 71 HD22 LEU 71 -0.301 0.614 -2.581 565 HD23 LEU 71 HD23 LEU 71 -1.201 -0.834 -2.120 566 H VAL 72 HN VAL 72 -1.906 2.057 1.902 567 HA VAL 72 HA VAL 72 -0.829 1.707 4.460 568 HB VAL 72 HB VAL 72 -3.032 3.658 3.640 569 HG11 VAL 72 HG11 VAL 72 -2.326 5.026 5.598 570 HG12 VAL 72 HG12 VAL 72 -1.211 3.748 6.086 571 HG13 VAL 72 HG13 VAL 72 -2.949 3.450 6.092 572 HG21 VAL 72 HG21 VAL 72 -0.011 4.099 3.739 573 HG22 VAL 72 HG22 VAL 72 -1.214 5.339 3.365 574 HG23 VAL 72 HG23 VAL 72 -0.991 3.971 2.277 575 H ASP 73 HN ASP 73 -4.155 1.099 3.257 576 HA ASP 73 HA ASP 73 -5.398 0.460 5.727 577 HB2 ASP 73 HB2 ASP 73 -6.663 0.846 3.631 578 HB3 ASP 73 HB1 ASP 73 -5.989 -0.626 2.941 579 H LYS 74 HN LYS 74 -3.737 -1.545 3.380 580 HA LYS 74 HA LYS 74 -4.244 -4.077 4.599 581 HB2 LYS 74 HB2 LYS 74 -1.978 -3.407 2.678 582 HB3 LYS 74 HB1 LYS 74 -2.534 -5.028 3.096 583 HG2 LYS 74 HG2 LYS 74 -4.004 -2.919 1.492 584 HG3 LYS 74 HG1 LYS 74 -3.425 -4.489 0.940 585 HD2 LYS 74 HD2 LYS 74 -5.102 -5.629 2.316 586 HD3 LYS 74 HD1 LYS 74 -5.622 -4.093 3.017 587 HE2 LYS 74 HE2 LYS 74 -6.364 -3.351 0.750 588 HE3 LYS 74 HE1 LYS 74 -5.920 -4.937 0.112 589 HZ1 LYS 74 HZ1 LYS 74 -7.539 -5.953 1.548 590 HZ2 LYS 74 HZ2 LYS 74 -8.287 -4.748 0.626 591 HZ3 LYS 74 HZ3 LYS 74 -7.919 -4.464 2.251 592 H LYS 75 HN LYS 75 -1.699 -1.717 4.965 593 HA LYS 75 HA LYS 75 0.083 -3.366 6.497 594 HB2 LYS 75 HB2 LYS 75 -0.020 -0.372 5.971 595 HB3 LYS 75 HB1 LYS 75 1.310 -1.191 6.794 596 HG2 LYS 75 HG2 LYS 75 1.832 -2.474 4.813 597 HG3 LYS 75 HG1 LYS 75 0.407 -1.854 3.977 598 HD2 LYS 75 HD2 LYS 75 1.390 0.419 3.982 599 HD3 LYS 75 HD1 LYS 75 2.807 -0.193 4.848 600 HE2 LYS 75 HE2 LYS 75 1.923 -0.962 2.040 601 HE3 LYS 75 HE1 LYS 75 3.337 -0.002 2.484 602 HZ1 LYS 75 HZ1 LYS 75 4.035 -2.211 2.039 603 HZ2 LYS 75 HZ2 LYS 75 2.884 -2.870 3.082 604 HZ3 LYS 75 HZ3 LYS 75 4.168 -1.961 3.704 605 H LEU 76 HN LEU 76 -2.343 -0.873 7.207 606 HA LEU 76 HA LEU 76 -1.928 -0.820 10.044 607 HB2 LEU 76 HB2 LEU 76 -4.297 0.096 8.379 608 HB3 LEU 76 HB1 LEU 76 -4.144 0.372 10.111 609 HG LEU 76 HG LEU 76 -2.346 1.519 7.938 610 HD11 LEU 76 HD11 LEU 76 -4.524 2.609 8.029 611 HD12 LEU 76 HD12 LEU 76 -3.258 3.696 8.594 612 HD13 LEU 76 HD13 LEU 76 -4.330 2.912 9.758 613 HD21 LEU 76 HD21 LEU 76 -0.985 1.036 9.908 614 HD22 LEU 76 HD22 LEU 76 -2.124 1.901 10.943 615 HD23 LEU 76 HD23 LEU 76 -1.198 2.775 9.721 616 H ALA 77 HN ALA 77 -3.801 -2.789 7.867 617 HA ALA 77 HA ALA 77 -5.347 -4.253 9.733 618 HB1 ALA 77 HB1 ALA 77 -5.458 -6.013 7.995 619 HB2 ALA 77 HB2 ALA 77 -4.159 -5.225 7.098 620 HB3 ALA 77 HB3 ALA 77 -5.713 -4.416 7.288 621 H ARG 78 HN ARG 78 -2.071 -4.792 8.404 622 HA ARG 78 HA ARG 78 -1.483 -7.163 9.871 623 HB2 ARG 78 HB2 ARG 78 0.522 -5.206 8.675 624 HB3 ARG 78 HB1 ARG 78 0.842 -6.879 9.132 625 HG2 ARG 78 HG2 ARG 78 -0.982 -5.938 6.907 626 HG3 ARG 78 HG1 ARG 78 0.620 -6.643 6.710 627 HD2 ARG 78 HD2 ARG 78 -0.176 -8.798 7.522 628 HD3 ARG 78 HD1 ARG 78 -1.741 -8.103 7.953 629 HE ARG 78 HE ARG 78 -2.405 -8.215 5.777 630 HH11 ARG 78 HH11 ARG 78 1.049 -8.845 5.846 631 HH12 ARG 78 HH12 ARG 78 1.134 -9.213 4.152 632 HH21 ARG 78 HH21 ARG 78 -2.278 -8.690 3.557 633 HH22 ARG 78 HH22 ARG 78 -0.752 -9.123 2.854 634 H LYS 79 HN LYS 79 -1.407 -3.831 10.783 635 HA LYS 79 HA LYS 79 0.410 -3.956 12.973 636 HB2 LYS 79 HB2 LYS 79 -1.963 -2.104 12.496 637 HB3 LYS 79 HB1 LYS 79 -0.827 -1.911 13.828 638 HG2 LYS 79 HG2 LYS 79 -0.200 -1.696 10.868 639 HG3 LYS 79 HG1 LYS 79 -0.279 -0.367 12.030 640 HD2 LYS 79 HD2 LYS 79 1.664 -1.308 13.242 641 HD3 LYS 79 HD1 LYS 79 1.726 -2.661 12.106 642 HE2 LYS 79 HE2 LYS 79 2.122 -0.992 10.258 643 HE3 LYS 79 HE1 LYS 79 2.254 0.266 11.496 644 HZ1 LYS 79 HZ1 LYS 79 4.402 -0.645 10.810 645 HZ2 LYS 79 HZ2 LYS 79 3.934 -2.171 11.364 646 HZ3 LYS 79 HZ3 LYS 79 4.098 -0.892 12.455 647 H LEU 80 HN LEU 80 -3.048 -4.661 12.661 648 HA LEU 80 HA LEU 80 -3.200 -5.506 15.496 649 HB2 LEU 80 HB2 LEU 80 -5.414 -4.851 13.499 650 HB3 LEU 80 HB1 LEU 80 -5.715 -5.539 15.078 651 HG LEU 80 HG LEU 80 -6.201 -3.217 15.258 652 HD11 LEU 80 HD11 LEU 80 -4.665 -2.431 16.979 653 HD12 LEU 80 HD12 LEU 80 -3.475 -3.645 16.505 654 HD13 LEU 80 HD13 LEU 80 -5.027 -4.143 17.188 655 HD21 LEU 80 HD21 LEU 80 -4.654 -1.400 14.682 656 HD22 LEU 80 HD22 LEU 80 -5.059 -2.377 13.273 657 HD23 LEU 80 HD23 LEU 80 -3.492 -2.577 14.058 658 H GLU 81 HN GLU 81 -4.879 -6.619 12.527 659 HA GLU 81 HA GLU 81 -4.517 -9.405 13.238 660 HB2 GLU 81 HB2 GLU 81 -5.954 -7.955 11.004 661 HB3 GLU 81 HB1 GLU 81 -5.642 -9.681 10.856 662 HG2 GLU 81 HG2 GLU 81 -7.187 -8.379 13.123 663 HG3 GLU 81 HG1 GLU 81 -7.904 -9.173 11.719 664 H HIS 82 HN HIS 82 -2.328 -9.765 13.176 665 HA HIS 82 HA HIS 82 -0.671 -9.345 10.873 666 HB2 HIS 82 HB2 HIS 82 -0.338 -11.260 13.236 667 HB3 HIS 82 HB1 HIS 82 0.900 -10.938 12.027 668 HD1 HIS 82 HD1 HIS 82 2.450 -9.023 12.509 669 HD2 HIS 82 HD2 HIS 82 -0.973 -8.880 14.861 670 HE1 HIS 82 HE1 HIS 82 2.841 -7.173 14.153 671 HE2 HIS 82 HE2 HIS 82 0.816 -7.190 15.645 672 H HIS 83 HN HIS 83 -2.007 -10.073 9.197 673 HA HIS 83 HA HIS 83 -3.083 -11.365 7.733 674 HB2 HIS 83 HB2 HIS 83 -1.525 -13.655 8.991 675 HB3 HIS 83 HB1 HIS 83 -2.526 -13.831 7.554 676 HD1 HIS 83 HD1 HIS 83 0.849 -13.541 8.345 677 HD2 HIS 83 HD2 HIS 83 -1.572 -11.669 5.548 678 HE1 HIS 83 HE1 HIS 83 2.410 -12.632 6.613 679 HE2 HIS 83 HE2 HIS 83 0.907 -11.708 4.827 680 H HIS 84 HN HIS 84 -4.438 -13.675 7.732 681 HA HIS 84 HA HIS 84 -6.238 -13.685 10.083 682 HB2 HIS 84 HB2 HIS 84 -7.110 -13.714 7.145 683 HB3 HIS 84 HB1 HIS 84 -8.183 -13.846 8.536 684 HD1 HIS 84 HD1 HIS 84 -8.808 -11.661 9.759 685 HD2 HIS 84 HD2 HIS 84 -6.092 -11.093 6.669 686 HE1 HIS 84 HE1 HIS 84 -8.660 -9.185 9.443 687 HE2 HIS 84 HE2 HIS 84 -6.876 -8.862 7.704 688 H HIS 85 HN HIS 85 -7.908 -15.666 9.575 689 HA HIS 85 HA HIS 85 -8.173 -17.900 9.751 690 HB2 HIS 85 HB2 HIS 85 -6.168 -17.953 7.454 691 HB3 HIS 85 HB1 HIS 85 -7.099 -19.351 7.976 692 HD1 HIS 85 HD1 HIS 85 -7.136 -16.941 5.437 693 HD2 HIS 85 HD2 HIS 85 -10.075 -18.574 7.869 694 HE1 HIS 85 HE1 HIS 85 -9.293 -16.563 4.218 695 HE2 HIS 85 HE2 HIS 85 -11.068 -17.424 5.779 696 H HIS 86 HN HIS 86 -6.758 -17.031 11.738 697 HA HIS 86 HA HIS 86 -4.091 -17.996 12.062 698 HB2 HIS 86 HB2 HIS 86 -6.090 -17.046 14.169 699 HB3 HIS 86 HB1 HIS 86 -4.366 -17.273 14.437 700 HD1 HIS 86 HD1 HIS 86 -2.756 -15.499 13.391 701 HD2 HIS 86 HD2 HIS 86 -6.790 -14.657 12.878 702 HE1 HIS 86 HE1 HIS 86 -2.856 -13.099 12.680 703 HE2 HIS 86 HE2 HIS 86 -5.306 -12.617 12.320 704 H HIS 87 HN HIS 87 -4.024 -20.213 11.702 705 HA HIS 87 HA HIS 87 -5.473 -21.981 13.605 706 HB2 HIS 87 HB2 HIS 87 -4.624 -22.639 10.743 707 HB3 HIS 87 HB1 HIS 87 -5.458 -23.727 11.848 708 HD1 HIS 87 HD1 HIS 87 -6.311 -22.187 8.973 709 HD2 HIS 87 HD2 HIS 87 -7.948 -21.869 12.775 710 HE1 HIS 87 HE1 HIS 87 -8.637 -21.325 8.629 711 HE2 HIS 87 HE2 HIS 87 -9.641 -21.250 10.930 712 H282 PNS 88 H282 PNS 88 6.314 12.887 -9.495 713 H281 PNS 88 H281 PNS 88 6.616 12.847 -11.237 714 H303 PNS 88 H303 PNS 88 4.233 12.074 -11.736 715 H302 PNS 88 H302 PNS 88 3.548 10.723 -10.820 716 H301 PNS 88 H301 PNS 88 3.921 12.240 -10.004 717 H313 PNS 88 H313 PNS 88 5.248 10.911 -8.323 718 H312 PNS 88 H312 PNS 88 4.953 9.410 -9.202 719 H311 PNS 88 H311 PNS 88 6.609 9.917 -8.853 720 H32 PNS 88 H32 PNS 88 6.499 10.748 -12.498 721 H33 PNS 88 H33 PNS 88 7.079 8.466 -11.024 722 H36 PNS 88 H36 PNS 88 5.209 8.093 -10.462 723 H372 PNS 88 H372 PNS 88 3.021 7.546 -12.315 724 H371 PNS 88 H371 PNS 88 4.291 6.309 -12.246 725 H382 PNS 88 H382 PNS 88 2.366 5.861 -10.709 726 H381 PNS 88 H381 PNS 88 3.922 5.969 -9.884 727 H41 PNS 88 H41 PNS 88 0.999 7.818 -10.711 728 H422 PNS 88 H422 PNS 88 1.467 10.070 -9.045 729 H421 PNS 88 H421 PNS 88 -0.077 9.568 -9.720 730 H431 PNS 88 H431 PNS 88 1.134 8.410 -7.202 731 H432 PNS 88 H432 PNS 88 -0.437 8.058 -7.862 732 H44 PNS 88 H44 PNS 88 0.537 11.114 -6.695 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -10.699 0.057 6.105 2 H2 MET 1 HT2 MET 1 -9.761 1.334 6.683 3 H3 MET 1 HT3 MET 1 -10.189 1.270 5.052 4 HA MET 1 HA MET 1 -12.460 1.567 5.520 5 HB2 MET 1 HB2 MET 1 -11.672 1.710 8.456 6 HB3 MET 1 HB1 MET 1 -13.271 2.078 7.824 7 HG2 MET 1 HG2 MET 1 -13.249 -0.148 8.800 8 HG3 MET 1 HG1 MET 1 -13.496 -0.265 7.056 9 HE1 MET 1 HE1 MET 1 -12.928 -2.865 7.186 10 HE2 MET 1 HE2 MET 1 -12.601 -2.781 8.920 11 HE3 MET 1 HE3 MET 1 -11.419 -3.509 7.831 12 HA PRO 2 HA PRO 2 -11.325 6.035 6.784 13 HB2 PRO 2 HB2 PRO 2 -9.470 6.687 8.578 14 HB3 PRO 2 HB1 PRO 2 -10.878 5.750 9.107 15 HG2 PRO 2 HG2 PRO 2 -8.068 4.823 8.573 16 HG3 PRO 2 HG1 PRO 2 -9.194 4.312 9.850 17 HD2 PRO 2 HD2 PRO 2 -8.748 3.003 7.346 18 HD3 PRO 2 HD1 PRO 2 -10.033 2.638 8.515 19 H THR 3 HN THR 3 -10.246 4.944 4.555 20 HA THR 3 HA THR 3 -7.447 4.982 4.232 21 HB THR 3 HB THR 3 -7.982 4.614 1.795 22 HG1 THR 3 HG1 THR 3 -10.639 5.015 2.740 23 HG21 THR 3 HG21 THR 3 -9.109 2.433 2.109 24 HG22 THR 3 HG22 THR 3 -9.541 2.897 3.759 25 HG23 THR 3 HG23 THR 3 -7.843 2.700 3.310 26 H LEU 4 HN LEU 4 -9.655 6.962 2.220 27 HA LEU 4 HA LEU 4 -7.684 8.846 1.443 28 HB2 LEU 4 HB2 LEU 4 -10.716 9.043 1.378 29 HB3 LEU 4 HB1 LEU 4 -9.636 10.176 0.572 30 HG LEU 4 HG LEU 4 -9.815 7.203 -0.072 31 HD11 LEU 4 HD11 LEU 4 -10.995 9.548 -1.591 32 HD12 LEU 4 HD12 LEU 4 -11.889 8.322 -0.689 33 HD13 LEU 4 HD13 LEU 4 -10.979 7.862 -2.124 34 HD21 LEU 4 HD21 LEU 4 -7.597 8.107 -0.566 35 HD22 LEU 4 HD22 LEU 4 -8.309 9.434 -1.490 36 HD23 LEU 4 HD23 LEU 4 -8.465 7.771 -2.064 37 H ASP 5 HN ASP 5 -9.937 8.698 4.111 38 HA ASP 5 HA ASP 5 -10.013 11.343 5.045 39 HB2 ASP 5 HB2 ASP 5 -10.076 8.785 6.726 40 HB3 ASP 5 HB1 ASP 5 -10.628 10.370 7.261 41 H ALA 6 HN ALA 6 -7.905 8.679 6.129 42 HA ALA 6 HA ALA 6 -6.324 10.206 7.914 43 HB1 ALA 6 HB1 ALA 6 -5.728 7.495 6.670 44 HB2 ALA 6 HB2 ALA 6 -6.646 7.769 8.150 45 HB3 ALA 6 HB3 ALA 6 -4.932 8.181 8.095 46 H LEU 7 HN LEU 7 -5.986 9.402 4.504 47 HA LEU 7 HA LEU 7 -3.235 10.140 4.228 48 HB2 LEU 7 HB2 LEU 7 -5.446 9.906 2.148 49 HB3 LEU 7 HB1 LEU 7 -3.755 10.186 1.758 50 HG LEU 7 HG LEU 7 -4.917 7.688 3.046 51 HD11 LEU 7 HD11 LEU 7 -4.237 6.575 0.962 52 HD12 LEU 7 HD12 LEU 7 -3.700 8.121 0.300 53 HD13 LEU 7 HD13 LEU 7 -5.407 7.860 0.667 54 HD21 LEU 7 HD21 LEU 7 -2.012 8.293 2.380 55 HD22 LEU 7 HD22 LEU 7 -2.645 6.733 2.916 56 HD23 LEU 7 HD23 LEU 7 -2.701 8.121 3.998 57 H THR 8 HN THR 8 -6.270 11.976 4.122 58 HA THR 8 HA THR 8 -5.482 14.140 2.547 59 HB THR 8 HB THR 8 -7.522 14.122 4.803 60 HG1 THR 8 HG1 THR 8 -7.530 12.857 2.560 61 HG21 THR 8 HG21 THR 8 -7.181 16.158 2.558 62 HG22 THR 8 HG22 THR 8 -6.924 16.466 4.276 63 HG23 THR 8 HG23 THR 8 -8.542 16.092 3.680 64 HA PRO 9 HA PRO 9 -3.850 16.495 6.703 65 HB2 PRO 9 HB2 PRO 9 -3.005 13.961 8.131 66 HB3 PRO 9 HB1 PRO 9 -3.502 15.520 8.812 67 HG2 PRO 9 HG2 PRO 9 -5.203 13.482 8.810 68 HG3 PRO 9 HG1 PRO 9 -5.782 15.114 8.404 69 HD2 PRO 9 HD2 PRO 9 -5.177 12.799 6.566 70 HD3 PRO 9 HD1 PRO 9 -6.506 13.974 6.491 71 H ILE 10 HN ILE 10 -2.502 13.371 5.623 72 HA ILE 10 HA ILE 10 0.250 13.998 5.992 73 HB ILE 10 HB ILE 10 -0.922 11.928 4.067 74 HG12 ILE 10 HG12 ILE 10 -1.747 11.590 6.407 75 HG13 ILE 10 HG11 ILE 10 -0.712 10.269 5.875 76 HG21 ILE 10 HG21 ILE 10 1.276 10.778 4.296 77 HG22 ILE 10 HG22 ILE 10 1.874 12.115 5.276 78 HG23 ILE 10 HG23 ILE 10 1.440 12.386 3.589 79 HD11 ILE 10 HD11 ILE 10 0.108 12.529 7.702 80 HD12 ILE 10 HD12 ILE 10 1.122 11.170 7.202 81 HD13 ILE 10 HD13 ILE 10 -0.309 10.886 8.189 82 H PHE 11 HN PHE 11 -1.792 13.928 3.047 83 HA PHE 11 HA PHE 11 0.217 14.730 1.206 84 HB2 PHE 11 HB2 PHE 11 -2.820 14.650 1.048 85 HB3 PHE 11 HB1 PHE 11 -1.850 15.253 -0.289 86 HD1 PHE 11 HD1 PHE 11 -1.785 12.225 1.982 87 HD2 PHE 11 HD2 PHE 11 -1.578 13.721 -2.014 88 HE1 PHE 11 HE1 PHE 11 -1.561 9.931 1.131 89 HE2 PHE 11 HE2 PHE 11 -1.353 11.425 -2.847 90 HZ PHE 11 HZ PHE 11 -1.339 9.529 -1.286 91 H ARG 12 HN ARG 12 -2.409 16.523 2.840 92 HA ARG 12 HA ARG 12 -1.919 19.046 1.681 93 HB2 ARG 12 HB2 ARG 12 -3.256 18.276 4.294 94 HB3 ARG 12 HB1 ARG 12 -3.172 19.942 3.721 95 HG2 ARG 12 HG2 ARG 12 -4.377 19.189 1.630 96 HG3 ARG 12 HG1 ARG 12 -4.609 17.617 2.404 97 HD2 ARG 12 HD2 ARG 12 -5.894 18.643 4.198 98 HD3 ARG 12 HD1 ARG 12 -5.555 20.262 3.563 99 HE ARG 12 HE ARG 12 -6.887 18.473 1.721 100 HH11 ARG 12 HH11 ARG 12 -7.362 20.932 4.180 101 HH12 ARG 12 HH12 ARG 12 -8.951 21.344 3.627 102 HH21 ARG 12 HH21 ARG 12 -8.943 19.027 1.006 103 HH22 ARG 12 HH22 ARG 12 -9.855 20.246 1.835 104 H GLN 13 HN GLN 13 -0.391 17.433 4.438 105 HA GLN 13 HA GLN 13 1.004 19.731 5.414 106 HB2 GLN 13 HB2 GLN 13 0.570 17.777 6.857 107 HB3 GLN 13 HB1 GLN 13 1.521 16.745 5.801 108 HG2 GLN 13 HG2 GLN 13 2.753 17.291 7.833 109 HG3 GLN 13 HG1 GLN 13 3.559 17.968 6.420 110 HE21 GLN 13 HE21 GLN 13 1.662 18.724 9.281 111 HE22 GLN 13 HE22 GLN 13 2.030 20.411 9.322 112 H VAL 14 HN VAL 14 2.060 16.854 3.595 113 HA VAL 14 HA VAL 14 4.730 17.499 3.211 114 HB VAL 14 HB VAL 14 2.847 15.710 1.616 115 HG11 VAL 14 HG11 VAL 14 4.850 14.635 0.598 116 HG12 VAL 14 HG12 VAL 14 5.859 15.916 1.273 117 HG13 VAL 14 HG13 VAL 14 4.633 16.300 0.062 118 HG21 VAL 14 HG21 VAL 14 5.009 15.049 3.653 119 HG22 VAL 14 HG22 VAL 14 3.992 13.871 2.820 120 HG23 VAL 14 HG23 VAL 14 3.266 15.022 3.942 121 H PHE 15 HN PHE 15 2.079 17.894 0.833 122 HA PHE 15 HA PHE 15 3.781 19.333 -1.024 123 HB2 PHE 15 HB2 PHE 15 0.790 18.760 -1.127 124 HB3 PHE 15 HB1 PHE 15 1.737 19.445 -2.442 125 HD1 PHE 15 HD2 PHE 15 3.535 18.035 -3.550 126 HD2 PHE 15 HD1 PHE 15 0.742 16.371 -0.769 127 HE1 PHE 15 HE2 PHE 15 4.078 15.772 -4.344 128 HE2 PHE 15 HE1 PHE 15 1.301 14.114 -1.568 129 HZ PHE 15 HZ PHE 15 2.968 13.815 -3.358 130 H ASP 16 HN ASP 16 1.651 20.106 1.581 131 HA ASP 16 HA ASP 16 0.911 21.958 2.585 132 HB2 ASP 16 HB2 ASP 16 3.314 22.602 2.581 133 HB3 ASP 16 HB1 ASP 16 3.103 23.395 1.026 134 H ASP 17 HN ASP 17 -1.104 21.726 1.521 135 HA ASP 17 HA ASP 17 -1.983 23.972 0.002 136 HB2 ASP 17 HB2 ASP 17 -0.862 22.824 -1.837 137 HB3 ASP 17 HB1 ASP 17 -1.700 21.319 -1.472 138 H ASP 18 HN ASP 18 -3.991 24.339 0.594 139 HA ASP 18 HA ASP 18 -5.694 22.469 1.941 140 HB2 ASP 18 HB2 ASP 18 -5.739 24.884 2.467 141 HB3 ASP 18 HB1 ASP 18 -6.244 25.252 0.823 142 H SER 19 HN SER 19 -5.309 23.390 -1.407 143 HA SER 19 HA SER 19 -7.948 22.705 -2.325 144 HB2 SER 19 HB2 SER 19 -5.396 23.009 -3.966 145 HB3 SER 19 HB1 SER 19 -7.053 23.096 -4.569 146 HG SER 19 HG SER 19 -6.715 24.823 -2.533 147 H ILE 20 HN ILE 20 -5.266 20.782 -1.428 148 HA ILE 20 HA ILE 20 -5.627 18.525 -3.110 149 HB ILE 20 HB ILE 20 -4.473 18.731 -0.291 150 HG12 ILE 20 HG12 ILE 20 -3.115 18.462 -3.011 151 HG13 ILE 20 HG11 ILE 20 -3.186 19.927 -2.040 152 HG21 ILE 20 HG21 ILE 20 -3.500 16.476 -0.617 153 HG22 ILE 20 HG22 ILE 20 -4.389 16.312 -2.131 154 HG23 ILE 20 HG23 ILE 20 -5.262 16.431 -0.602 155 HD11 ILE 20 HD11 ILE 20 -1.746 17.381 -1.306 156 HD12 ILE 20 HD12 ILE 20 -1.805 18.851 -0.329 157 HD13 ILE 20 HD13 ILE 20 -1.018 18.869 -1.906 158 H VAL 21 HN VAL 21 -7.621 17.804 -3.361 159 HA VAL 21 HA VAL 21 -9.206 16.839 -1.044 160 HB VAL 21 HB VAL 21 -10.214 17.641 -3.828 161 HG11 VAL 21 HG11 VAL 21 -12.483 17.384 -2.875 162 HG12 VAL 21 HG12 VAL 21 -11.786 16.825 -1.353 163 HG13 VAL 21 HG13 VAL 21 -11.583 15.866 -2.821 164 HG21 VAL 21 HG21 VAL 21 -10.526 19.168 -1.210 165 HG22 VAL 21 HG22 VAL 21 -11.271 19.601 -2.751 166 HG23 VAL 21 HG23 VAL 21 -9.516 19.646 -2.579 167 H LEU 22 HN LEU 22 -8.946 14.635 -0.924 168 HA LEU 22 HA LEU 22 -7.745 13.236 -3.195 169 HB2 LEU 22 HB2 LEU 22 -8.088 12.413 -0.294 170 HB3 LEU 22 HB1 LEU 22 -7.268 11.449 -1.518 171 HG LEU 22 HG LEU 22 -6.378 14.176 -0.487 172 HD11 LEU 22 HD11 LEU 22 -4.464 12.966 0.449 173 HD12 LEU 22 HD12 LEU 22 -5.148 11.432 -0.100 174 HD13 LEU 22 HD13 LEU 22 -5.989 12.393 1.121 175 HD21 LEU 22 HD21 LEU 22 -5.812 13.989 -2.865 176 HD22 LEU 22 HD22 LEU 22 -5.052 12.418 -2.598 177 HD23 LEU 22 HD23 LEU 22 -4.354 13.874 -1.882 178 H THR 23 HN THR 23 -8.699 11.797 -4.366 179 HA THR 23 HA THR 23 -11.130 10.373 -3.502 180 HB THR 23 HB THR 23 -12.001 10.405 -5.838 181 HG1 THR 23 HG1 THR 23 -10.308 12.495 -6.615 182 HG21 THR 23 HG21 THR 23 -11.556 13.213 -4.755 183 HG22 THR 23 HG22 THR 23 -12.876 12.126 -4.317 184 HG23 THR 23 HG23 THR 23 -12.768 12.758 -5.960 185 H ARG 24 HN ARG 24 -11.346 8.340 -4.966 186 HA ARG 24 HA ARG 24 -8.873 6.891 -4.813 187 HB2 ARG 24 HB2 ARG 24 -11.535 6.002 -5.980 188 HB3 ARG 24 HB1 ARG 24 -10.184 4.948 -5.574 189 HG2 ARG 24 HG2 ARG 24 -10.466 5.689 -3.165 190 HG3 ARG 24 HG1 ARG 24 -11.944 6.516 -3.664 191 HD2 ARG 24 HD2 ARG 24 -12.561 4.377 -2.742 192 HD3 ARG 24 HD1 ARG 24 -12.821 4.286 -4.488 193 HE ARG 24 HE ARG 24 -10.607 3.037 -2.968 194 HH11 ARG 24 HH11 ARG 24 -12.468 3.226 -5.948 195 HH12 ARG 24 HH12 ARG 24 -11.802 1.756 -6.579 196 HH21 ARG 24 HH21 ARG 24 -9.735 1.120 -3.807 197 HH22 ARG 24 HH22 ARG 24 -10.243 0.565 -5.371 198 H GLU 25 HN GLU 25 -9.923 8.969 -7.208 199 HA GLU 25 HA GLU 25 -8.284 7.596 -9.259 200 HB2 GLU 25 HB2 GLU 25 -10.607 9.534 -9.632 201 HB3 GLU 25 HB1 GLU 25 -9.562 8.975 -10.940 202 HG2 GLU 25 HG2 GLU 25 -10.305 6.633 -10.462 203 HG3 GLU 25 HG1 GLU 25 -11.420 7.265 -9.250 204 H THR 26 HN THR 26 -8.291 10.182 -7.072 205 HA THR 26 HA THR 26 -6.870 12.178 -8.472 206 HB THR 26 HB THR 26 -6.652 11.433 -5.512 207 HG1 THR 26 HG1 THR 26 -8.511 12.817 -7.010 208 HG21 THR 26 HG21 THR 26 -4.743 12.862 -6.204 209 HG22 THR 26 HG22 THR 26 -5.851 13.742 -5.151 210 HG23 THR 26 HG23 THR 26 -5.870 14.036 -6.891 211 H SER 27 HN SER 27 -4.690 12.430 -8.931 212 HA SER 27 HA SER 27 -2.670 10.533 -8.011 213 HB2 SER 27 HB2 SER 27 -1.991 9.982 -10.370 214 HB3 SER 27 HB1 SER 27 -3.611 9.402 -10.011 215 HG SER 27 HG SER 27 -4.453 11.170 -11.117 216 H ALA 28 HN ALA 28 -0.506 11.183 -9.275 217 HA ALA 28 HA ALA 28 0.111 13.911 -8.975 218 HB1 ALA 28 HB1 ALA 28 1.480 11.791 -10.630 219 HB2 ALA 28 HB2 ALA 28 1.742 12.085 -8.910 220 HB3 ALA 28 HB3 ALA 28 2.192 13.315 -10.093 221 H ASN 29 HN ASN 29 -1.619 12.351 -11.531 222 HA ASN 29 HA ASN 29 -1.027 14.244 -13.611 223 HB2 ASN 29 HB2 ASN 29 -1.799 11.980 -14.176 224 HB3 ASN 29 HB1 ASN 29 -3.262 12.203 -13.224 225 HD21 ASN 29 HD21 ASN 29 -4.946 13.459 -14.068 226 HD22 ASN 29 HD22 ASN 29 -5.006 13.918 -15.733 227 H ASP 30 HN ASP 30 -3.365 13.846 -10.999 228 HA ASP 30 HA ASP 30 -4.992 16.136 -11.705 229 HB2 ASP 30 HB2 ASP 30 -4.942 14.404 -9.191 230 HB3 ASP 30 HB1 ASP 30 -6.145 15.647 -9.534 231 H ILE 31 HN ILE 31 -2.113 15.586 -9.838 232 HA ILE 31 HA ILE 31 -2.264 18.299 -8.643 233 HB ILE 31 HB ILE 31 -0.815 15.853 -7.504 234 HG12 ILE 31 HG12 ILE 31 -3.244 17.379 -6.440 235 HG13 ILE 31 HG11 ILE 31 -3.252 15.746 -7.093 236 HG21 ILE 31 HG21 ILE 31 0.506 17.890 -7.090 237 HG22 ILE 31 HG22 ILE 31 -0.187 17.289 -5.586 238 HG23 ILE 31 HG23 ILE 31 -0.906 18.687 -6.387 239 HD11 ILE 31 HD11 ILE 31 -1.914 16.632 -4.531 240 HD12 ILE 31 HD12 ILE 31 -1.880 14.995 -5.189 241 HD13 ILE 31 HD13 ILE 31 -3.409 15.711 -4.683 242 H ASP 32 HN ASP 32 -1.194 19.430 -10.152 243 HA ASP 32 HA ASP 32 0.885 18.599 -11.846 244 HB2 ASP 32 HB2 ASP 32 -0.529 20.568 -12.321 245 HB3 ASP 32 HB1 ASP 32 0.136 21.414 -10.930 246 H ALA 33 HN ALA 33 0.958 20.175 -8.690 247 HA ALA 33 HA ALA 33 3.831 20.584 -8.643 248 HB1 ALA 33 HB1 ALA 33 1.733 21.029 -6.492 249 HB2 ALA 33 HB2 ALA 33 2.308 22.236 -7.642 250 HB3 ALA 33 HB3 ALA 33 3.411 21.586 -6.427 251 H TRP 34 HN TRP 34 2.517 17.717 -8.610 252 HA TRP 34 HA TRP 34 3.660 16.582 -6.194 253 HB2 TRP 34 HB2 TRP 34 1.543 15.762 -7.358 254 HB3 TRP 34 HB1 TRP 34 2.559 15.153 -8.651 255 HD1 TRP 34 HD1 TRP 34 4.792 13.616 -7.075 256 HE1 TRP 34 HE1 TRP 34 4.192 11.494 -5.765 257 HE3 TRP 34 HE3 TRP 34 -0.221 14.406 -6.417 258 HZ2 TRP 34 HZ2 TRP 34 1.957 10.301 -4.613 259 HZ3 TRP 34 HZ3 TRP 34 -1.528 12.709 -5.203 260 HH2 TRP 34 HH2 TRP 34 -0.450 10.695 -4.322 261 H ASP 35 HN ASP 35 5.798 17.591 -6.767 262 HA ASP 35 HA ASP 35 7.568 16.518 -8.688 263 HB2 ASP 35 HB2 ASP 35 8.048 18.624 -7.566 264 HB3 ASP 35 HB1 ASP 35 8.048 17.852 -5.987 265 H SER 36 HN SER 36 9.552 15.105 -8.226 266 HA SER 36 HA SER 36 8.832 12.558 -7.286 267 HB2 SER 36 HB2 SER 36 11.520 13.837 -7.914 268 HB3 SER 36 HB1 SER 36 11.336 12.131 -7.567 269 H LEU 37 HN LEU 37 10.923 15.102 -5.964 270 HA LEU 37 HA LEU 37 11.712 13.693 -3.619 271 HB2 LEU 37 HB2 LEU 37 11.827 16.665 -4.271 272 HB3 LEU 37 HB1 LEU 37 12.524 15.960 -2.830 273 HG LEU 37 HG LEU 37 14.316 16.327 -4.354 274 HD11 LEU 37 HD11 LEU 37 15.259 14.102 -4.694 275 HD12 LEU 37 HD12 LEU 37 13.675 13.371 -4.424 276 HD13 LEU 37 HD13 LEU 37 14.484 14.241 -3.117 277 HD21 LEU 37 HD21 LEU 37 13.064 16.566 -6.440 278 HD22 LEU 37 HD22 LEU 37 12.799 14.823 -6.508 279 HD23 LEU 37 HD23 LEU 37 14.435 15.476 -6.646 280 H SER 38 HN SER 38 9.024 15.755 -4.398 281 HA SER 38 HA SER 38 7.993 16.167 -1.745 282 HB2 SER 38 HB2 SER 38 6.566 16.298 -4.446 283 HB3 SER 38 HB1 SER 38 5.962 16.962 -2.924 284 HG SER 38 HG SER 38 8.442 17.885 -3.386 285 H HIS 39 HN HIS 39 7.556 13.794 -4.302 286 HA HIS 39 HA HIS 39 5.534 12.193 -3.124 287 HB2 HIS 39 HB2 HIS 39 6.182 12.127 -5.542 288 HB3 HIS 39 HB1 HIS 39 7.715 11.383 -5.102 289 HD2 HIS 39 HD2 HIS 39 7.507 8.793 -5.810 290 HE1 HIS 39 HE1 HIS 39 3.450 8.259 -4.810 291 HE2 HIS 39 HE2 HIS 39 5.609 7.077 -5.418 292 H MET 40 HN MET 40 9.100 12.059 -2.991 293 HA MET 40 HA MET 40 9.355 9.732 -1.399 294 HB2 MET 40 HB2 MET 40 11.203 12.131 -1.724 295 HB3 MET 40 HB1 MET 40 11.637 10.705 -0.783 296 HG2 MET 40 HG2 MET 40 11.038 10.779 -3.747 297 HG3 MET 40 HG1 MET 40 12.621 10.566 -2.986 298 HE1 MET 40 HE1 MET 40 11.902 8.548 -0.528 299 HE2 MET 40 HE2 MET 40 13.310 8.338 -1.568 300 HE3 MET 40 HE3 MET 40 12.197 6.992 -1.303 301 H ASN 41 HN ASN 41 9.030 13.157 -0.551 302 HA ASN 41 HA ASN 41 9.191 12.928 2.264 303 HB2 ASN 41 HB2 ASN 41 7.679 14.968 0.588 304 HB3 ASN 41 HB1 ASN 41 7.939 15.109 2.326 305 HD21 ASN 41 HD21 ASN 41 8.732 16.980 0.394 306 HD22 ASN 41 HD22 ASN 41 10.453 17.090 0.432 307 H LEU 42 HN LEU 42 6.537 12.483 -0.003 308 HA LEU 42 HA LEU 42 4.379 12.423 1.809 309 HB2 LEU 42 HB2 LEU 42 4.346 12.708 -0.735 310 HB3 LEU 42 HB1 LEU 42 4.575 10.978 -0.872 311 HG LEU 42 HG LEU 42 2.203 11.871 -1.210 312 HD11 LEU 42 HD11 LEU 42 1.082 10.018 -0.095 313 HD12 LEU 42 HD12 LEU 42 2.506 9.736 0.908 314 HD13 LEU 42 HD13 LEU 42 2.593 9.492 -0.836 315 HD21 LEU 42 HD21 LEU 42 2.268 12.228 1.798 316 HD22 LEU 42 HD22 LEU 42 0.857 12.403 0.753 317 HD23 LEU 42 HD23 LEU 42 2.204 13.525 0.599 318 H ILE 43 HN ILE 43 6.373 9.814 0.412 319 HA ILE 43 HA ILE 43 5.076 7.610 1.629 320 HB ILE 43 HB ILE 43 7.764 7.986 0.298 321 HG12 ILE 43 HG12 ILE 43 6.931 6.212 -1.226 322 HG13 ILE 43 HG11 ILE 43 5.498 6.008 -0.232 323 HG21 ILE 43 HG21 ILE 43 8.418 5.610 0.661 324 HG22 ILE 43 HG22 ILE 43 7.081 5.424 1.800 325 HG23 ILE 43 HG23 ILE 43 8.404 6.533 2.166 326 HD11 ILE 43 HD11 ILE 43 6.218 8.441 -1.856 327 HD12 ILE 43 HD12 ILE 43 4.775 8.272 -0.854 328 HD13 ILE 43 HD13 ILE 43 5.007 7.224 -2.252 329 H VAL 44 HN VAL 44 7.969 9.465 2.666 330 HA VAL 44 HA VAL 44 8.488 7.800 4.914 331 HB VAL 44 HB VAL 44 10.158 9.453 5.590 332 HG11 VAL 44 HG11 VAL 44 11.607 9.307 3.604 333 HG12 VAL 44 HG12 VAL 44 10.207 8.905 2.613 334 HG13 VAL 44 HG13 VAL 44 10.742 7.787 3.869 335 HG21 VAL 44 HG21 VAL 44 9.088 11.214 3.348 336 HG22 VAL 44 HG22 VAL 44 10.556 11.516 4.280 337 HG23 VAL 44 HG23 VAL 44 8.989 11.543 5.080 338 H SER 45 HN SER 45 6.492 10.625 4.484 339 HA SER 45 HA SER 45 5.987 11.175 7.245 340 HB2 SER 45 HB2 SER 45 4.326 11.795 4.777 341 HB3 SER 45 HB1 SER 45 3.982 12.420 6.395 342 HG SER 45 HG SER 45 6.462 12.790 5.079 343 H LEU 46 HN LEU 46 4.463 9.035 4.853 344 HA LEU 46 HA LEU 46 2.355 8.072 6.529 345 HB2 LEU 46 HB2 LEU 46 3.722 6.806 4.126 346 HB3 LEU 46 HB1 LEU 46 2.262 6.183 4.873 347 HG LEU 46 HG LEU 46 2.449 8.919 3.550 348 HD11 LEU 46 HD11 LEU 46 2.798 7.152 1.880 349 HD12 LEU 46 HD12 LEU 46 1.248 7.954 1.645 350 HD13 LEU 46 HD13 LEU 46 1.308 6.355 2.392 351 HD21 LEU 46 HD21 LEU 46 0.687 8.764 5.254 352 HD22 LEU 46 HD22 LEU 46 0.020 7.335 4.459 353 HD23 LEU 46 HD23 LEU 46 0.001 8.899 3.637 354 H GLU 47 HN GLU 47 5.699 7.079 5.954 355 HA GLU 47 HA GLU 47 5.784 4.626 7.324 356 HB2 GLU 47 HB2 GLU 47 7.943 6.712 6.808 357 HB3 GLU 47 HB1 GLU 47 8.287 5.133 7.508 358 HG2 GLU 47 HG2 GLU 47 6.931 5.433 4.815 359 HG3 GLU 47 HG1 GLU 47 8.689 5.450 4.989 360 H VAL 48 HN VAL 48 6.825 7.855 8.486 361 HA VAL 48 HA VAL 48 7.481 6.959 11.081 362 HB VAL 48 HB VAL 48 7.708 9.359 11.684 363 HG11 VAL 48 HG11 VAL 48 9.545 9.899 10.112 364 HG12 VAL 48 HG12 VAL 48 8.987 8.620 9.028 365 HG13 VAL 48 HG13 VAL 48 9.594 8.212 10.634 366 HG21 VAL 48 HG21 VAL 48 5.843 10.316 10.392 367 HG22 VAL 48 HG22 VAL 48 6.673 9.945 8.879 368 HG23 VAL 48 HG23 VAL 48 7.355 11.134 9.993 369 H HIS 49 HN HIS 49 4.532 8.541 9.827 370 HA HIS 49 HA HIS 49 3.325 8.961 12.374 371 HB2 HIS 49 HB2 HIS 49 2.269 9.090 9.536 372 HB3 HIS 49 HB1 HIS 49 1.151 9.188 10.890 373 HD1 HIS 49 HD1 HIS 49 0.806 11.436 11.879 374 HD2 HIS 49 HD2 HIS 49 4.283 11.282 9.628 375 HE1 HIS 49 HE1 HIS 49 1.670 13.785 11.838 376 HE2 HIS 49 HE2 HIS 49 3.673 13.696 10.317 377 H TYR 50 HN TYR 50 2.660 6.468 9.849 378 HA TYR 50 HA TYR 50 0.687 5.199 11.589 379 HB2 TYR 50 HB2 TYR 50 1.614 4.424 8.792 380 HB3 TYR 50 HB1 TYR 50 0.269 3.692 9.661 381 HD1 TYR 50 HD2 TYR 50 1.390 6.690 7.841 382 HD2 TYR 50 HD1 TYR 50 -1.877 4.894 9.916 383 HE1 TYR 50 HE2 TYR 50 -0.119 8.373 6.910 384 HE2 TYR 50 HE1 TYR 50 -3.392 6.589 8.980 385 HH TYR 50 HH TYR 50 -2.509 8.582 6.406 386 H LYS 51 HN LYS 51 4.041 4.864 11.039 387 HA LYS 51 HA LYS 51 5.646 3.368 11.522 388 HB2 LYS 51 HB2 LYS 51 3.599 2.437 13.566 389 HB3 LYS 51 HB1 LYS 51 5.274 1.883 13.544 390 HG2 LYS 51 HG2 LYS 51 6.049 4.204 13.894 391 HG3 LYS 51 HG1 LYS 51 4.374 4.771 13.915 392 HD2 LYS 51 HD2 LYS 51 3.929 3.453 15.942 393 HD3 LYS 51 HD1 LYS 51 5.561 2.778 15.891 394 HE2 LYS 51 HE2 LYS 51 5.394 4.576 17.564 395 HE3 LYS 51 HE1 LYS 51 6.511 5.017 16.277 396 HZ1 LYS 51 HZ1 LYS 51 3.706 5.948 16.534 397 HZ2 LYS 51 HZ2 LYS 51 4.758 6.361 15.280 398 HZ3 LYS 51 HZ3 LYS 51 5.091 6.854 16.861 399 H ILE 52 HN ILE 52 4.348 2.793 9.291 400 HA ILE 52 HA ILE 52 3.977 -0.146 9.164 401 HB ILE 52 HB ILE 52 2.855 0.305 6.951 402 HG12 ILE 52 HG12 ILE 52 3.178 3.246 7.744 403 HG13 ILE 52 HG11 ILE 52 3.849 2.458 6.314 404 HG21 ILE 52 HG21 ILE 52 1.581 1.731 9.319 405 HG22 ILE 52 HG22 ILE 52 1.513 0.000 8.986 406 HG23 ILE 52 HG23 ILE 52 0.727 1.134 7.890 407 HD11 ILE 52 HD11 ILE 52 0.918 2.975 6.876 408 HD12 ILE 52 HD12 ILE 52 1.551 2.142 5.452 409 HD13 ILE 52 HD13 ILE 52 1.945 3.837 5.732 410 H LYS 53 HN LYS 53 4.650 -0.646 6.504 411 HA LYS 53 HA LYS 53 7.332 0.523 6.068 412 HB2 LYS 53 HB2 LYS 53 7.735 -1.564 7.341 413 HB3 LYS 53 HB1 LYS 53 6.807 -2.484 6.155 414 HG2 LYS 53 HG2 LYS 53 8.469 -1.834 4.398 415 HG3 LYS 53 HG1 LYS 53 9.411 -0.998 5.638 416 HD2 LYS 53 HD2 LYS 53 9.738 -3.165 6.816 417 HD3 LYS 53 HD1 LYS 53 8.825 -3.982 5.540 418 HE2 LYS 53 HE2 LYS 53 10.525 -3.285 3.884 419 HE3 LYS 53 HE1 LYS 53 11.427 -2.457 5.155 420 HZ1 LYS 53 HZ1 LYS 53 11.805 -4.558 6.233 421 HZ2 LYS 53 HZ2 LYS 53 12.333 -4.642 4.629 422 HZ3 LYS 53 HZ3 LYS 53 10.876 -5.375 5.079 423 H PHE 54 HN PHE 54 6.989 1.487 4.133 424 HA PHE 54 HA PHE 54 5.791 0.029 1.893 425 HB2 PHE 54 HB2 PHE 54 7.153 2.767 1.937 426 HB3 PHE 54 HB1 PHE 54 6.370 2.042 0.543 427 HD1 PHE 54 HD1 PHE 54 5.822 3.615 3.808 428 HD2 PHE 54 HD2 PHE 54 3.925 1.974 0.350 429 HE1 PHE 54 HE1 PHE 54 3.707 4.622 4.490 430 HE2 PHE 54 HE2 PHE 54 1.802 3.014 1.047 431 HZ PHE 54 HZ PHE 54 1.700 4.334 3.112 432 H ALA 55 HN ALA 55 6.942 -1.288 0.679 433 HA ALA 55 HA ALA 55 9.849 -1.007 0.351 434 HB1 ALA 55 HB1 ALA 55 9.650 -3.071 -1.013 435 HB2 ALA 55 HB2 ALA 55 7.896 -3.042 -0.807 436 HB3 ALA 55 HB3 ALA 55 8.943 -3.294 0.589 437 H LEU 56 HN LEU 56 10.697 -0.163 -1.555 438 HA LEU 56 HA LEU 56 9.137 1.640 -3.096 439 HB2 LEU 56 HB2 LEU 56 11.700 1.631 -2.587 440 HB3 LEU 56 HB1 LEU 56 11.859 0.535 -3.938 441 HG LEU 56 HG LEU 56 12.406 2.977 -4.407 442 HD11 LEU 56 HD11 LEU 56 10.238 1.824 -6.162 443 HD12 LEU 56 HD12 LEU 56 11.959 1.444 -6.245 444 HD13 LEU 56 HD13 LEU 56 11.403 3.075 -6.607 445 HD21 LEU 56 HD21 LEU 56 10.639 3.998 -3.066 446 HD22 LEU 56 HD22 LEU 56 9.410 3.380 -4.173 447 HD23 LEU 56 HD23 LEU 56 10.586 4.572 -4.729 448 H GLY 57 HN GLY 57 10.001 -1.750 -3.552 449 HA2 GLY 57 HA2 GLY 57 9.186 -2.192 -6.197 450 HA3 GLY 57 HA1 GLY 57 9.080 -3.375 -4.900 451 H GLU 58 HN GLU 58 7.252 -2.041 -3.213 452 HA GLU 58 HA GLU 58 4.697 -2.553 -4.376 453 HB2 GLU 58 HB2 GLU 58 5.358 -1.028 -1.818 454 HB3 GLU 58 HB1 GLU 58 3.760 -1.626 -2.266 455 HG2 GLU 58 HG2 GLU 58 4.612 -3.940 -2.171 456 HG3 GLU 58 HG1 GLU 58 6.203 -3.335 -1.700 457 H LEU 59 HN LEU 59 6.564 0.413 -3.829 458 HA LEU 59 HA LEU 59 4.595 2.324 -4.495 459 HB2 LEU 59 HB2 LEU 59 7.616 2.347 -4.469 460 HB3 LEU 59 HB1 LEU 59 6.785 3.686 -5.229 461 HG LEU 59 HG LEU 59 7.364 4.320 -2.973 462 HD11 LEU 59 HD11 LEU 59 5.277 5.188 -3.807 463 HD12 LEU 59 HD12 LEU 59 5.157 4.885 -2.076 464 HD13 LEU 59 HD13 LEU 59 4.407 3.770 -3.218 465 HD21 LEU 59 HD21 LEU 59 7.561 2.119 -1.942 466 HD22 LEU 59 HD22 LEU 59 5.810 1.910 -2.010 467 HD23 LEU 59 HD23 LEU 59 6.510 3.170 -0.990 468 H GLN 60 HN GLN 60 6.864 0.525 -6.538 469 HA GLN 60 HA GLN 60 6.250 1.724 -9.009 470 HB2 GLN 60 HB2 GLN 60 7.139 -1.125 -8.427 471 HB3 GLN 60 HB1 GLN 60 7.195 -0.361 -10.016 472 HG2 GLN 60 HG2 GLN 60 8.695 0.746 -7.625 473 HG3 GLN 60 HG1 GLN 60 9.374 -0.500 -8.662 474 HE21 GLN 60 HE21 GLN 60 7.455 2.216 -9.998 475 HE22 GLN 60 HE22 GLN 60 8.792 2.988 -10.751 476 H LYS 61 HN LYS 61 4.398 -0.476 -7.082 477 HA LYS 61 HA LYS 61 2.523 -1.184 -9.231 478 HB2 LYS 61 HB2 LYS 61 2.225 -1.913 -6.289 479 HB3 LYS 61 HB1 LYS 61 1.550 -2.736 -7.694 480 HG2 LYS 61 HG2 LYS 61 4.468 -2.673 -6.874 481 HG3 LYS 61 HG1 LYS 61 3.357 -4.030 -6.674 482 HD2 LYS 61 HD2 LYS 61 3.198 -4.310 -9.100 483 HD3 LYS 61 HD1 LYS 61 4.189 -2.869 -9.368 484 HE2 LYS 61 HE2 LYS 61 6.114 -3.972 -8.317 485 HE3 LYS 61 HE1 LYS 61 5.127 -5.392 -7.950 486 HZ1 LYS 61 HZ1 LYS 61 5.772 -4.387 -10.663 487 HZ2 LYS 61 HZ2 LYS 61 4.837 -5.748 -10.316 488 HZ3 LYS 61 HZ3 LYS 61 6.477 -5.723 -9.909 489 H LEU 62 HN LEU 62 2.958 1.379 -7.055 490 HA LEU 62 HA LEU 62 0.087 1.977 -6.726 491 HB2 LEU 62 HB2 LEU 62 2.504 3.393 -5.511 492 HB3 LEU 62 HB1 LEU 62 0.817 3.724 -5.140 493 HG LEU 62 HG LEU 62 2.365 1.203 -4.459 494 HD11 LEU 62 HD11 LEU 62 2.014 1.837 -2.126 495 HD12 LEU 62 HD12 LEU 62 1.173 3.303 -2.635 496 HD13 LEU 62 HD13 LEU 62 2.883 3.093 -3.008 497 HD21 LEU 62 HD21 LEU 62 -0.575 1.757 -3.932 498 HD22 LEU 62 HD22 LEU 62 0.344 0.365 -3.344 499 HD23 LEU 62 HD23 LEU 62 0.081 0.577 -5.069 500 H LYS 63 HN LYS 63 -0.765 3.066 -8.357 501 HA LYS 63 HA LYS 63 0.864 4.814 -10.078 502 HB2 LYS 63 HB2 LYS 63 -0.277 2.935 -11.168 503 HB3 LYS 63 HB1 LYS 63 -1.821 3.427 -10.500 504 HG2 LYS 63 HG2 LYS 63 -0.365 5.319 -12.337 505 HG3 LYS 63 HG1 LYS 63 -1.162 3.911 -13.033 506 HD2 LYS 63 HD2 LYS 63 -2.499 6.114 -11.400 507 HD3 LYS 63 HD1 LYS 63 -2.628 5.876 -13.142 508 HE2 LYS 63 HE2 LYS 63 -3.720 3.660 -12.714 509 HE3 LYS 63 HE1 LYS 63 -3.664 4.006 -10.985 510 HZ1 LYS 63 HZ1 LYS 63 -5.134 5.552 -13.038 511 HZ2 LYS 63 HZ2 LYS 63 -5.033 5.970 -11.405 512 HZ3 LYS 63 HZ3 LYS 63 -5.809 4.538 -11.864 513 H ASN 64 HN ASN 64 -1.856 4.879 -7.818 514 HA ASN 64 HA ASN 64 -1.893 7.787 -7.953 515 HB2 ASN 64 HB2 ASN 64 -4.138 8.137 -8.603 516 HB3 ASN 64 HB1 ASN 64 -3.555 6.929 -9.729 517 HD21 ASN 64 HD21 ASN 64 -3.870 4.649 -7.987 518 HD22 ASN 64 HD22 ASN 64 -5.565 4.391 -7.805 519 H VAL 65 HN VAL 65 -3.758 8.620 -6.407 520 HA VAL 65 HA VAL 65 -3.038 7.863 -3.764 521 HB VAL 65 HB VAL 65 -5.427 9.568 -4.625 522 HG11 VAL 65 HG11 VAL 65 -5.269 10.602 -2.371 523 HG12 VAL 65 HG12 VAL 65 -3.972 9.485 -1.948 524 HG13 VAL 65 HG13 VAL 65 -5.595 8.870 -2.266 525 HG21 VAL 65 HG21 VAL 65 -3.360 10.463 -5.597 526 HG22 VAL 65 HG22 VAL 65 -2.578 10.452 -4.015 527 HG23 VAL 65 HG23 VAL 65 -3.939 11.535 -4.319 528 H GLY 66 HN GLY 66 -5.630 6.838 -5.892 529 HA2 GLY 66 HA2 GLY 66 -7.325 5.546 -4.021 530 HA3 GLY 66 HA1 GLY 66 -7.166 5.138 -5.727 531 H ASP 67 HN ASP 67 -4.448 4.475 -5.791 532 HA ASP 67 HA ASP 67 -4.363 1.805 -4.810 533 HB2 ASP 67 HB2 ASP 67 -2.152 3.599 -5.904 534 HB3 ASP 67 HB1 ASP 67 -1.876 1.926 -5.434 535 H LEU 68 HN LEU 68 -2.891 4.864 -3.642 536 HA LEU 68 HA LEU 68 -1.554 3.776 -1.389 537 HB2 LEU 68 HB2 LEU 68 -2.476 6.564 -2.105 538 HB3 LEU 68 HB1 LEU 68 -1.990 6.263 -0.453 539 HG LEU 68 HG LEU 68 -0.162 7.257 -1.683 540 HD11 LEU 68 HD11 LEU 68 0.421 5.684 0.077 541 HD12 LEU 68 HD12 LEU 68 1.615 5.655 -1.216 542 HD13 LEU 68 HD13 LEU 68 0.433 4.351 -1.082 543 HD21 LEU 68 HD21 LEU 68 0.905 6.180 -3.597 544 HD22 LEU 68 HD22 LEU 68 -0.782 6.551 -3.949 545 HD23 LEU 68 HD23 LEU 68 -0.302 4.891 -3.574 546 H ALA 69 HN ALA 69 -4.891 4.830 -1.850 547 HA ALA 69 HA ALA 69 -5.701 5.050 0.827 548 HB1 ALA 69 HB1 ALA 69 -8.001 4.816 -0.058 549 HB2 ALA 69 HB2 ALA 69 -7.347 4.276 -1.608 550 HB3 ALA 69 HB3 ALA 69 -7.030 5.916 -1.040 551 H ASP 70 HN ASP 70 -6.260 2.409 -1.437 552 HA ASP 70 HA ASP 70 -7.128 0.436 0.354 553 HB2 ASP 70 HB2 ASP 70 -5.828 0.234 -2.395 554 HB3 ASP 70 HB1 ASP 70 -6.457 -1.171 -1.534 555 H LEU 71 HN LEU 71 -3.840 1.121 -0.863 556 HA LEU 71 HA LEU 71 -2.635 -1.248 0.170 557 HB2 LEU 71 HB2 LEU 71 -1.788 -0.148 -1.823 558 HB3 LEU 71 HB1 LEU 71 -1.401 1.297 -0.930 559 HG LEU 71 HG LEU 71 0.517 -0.314 -1.690 560 HD11 LEU 71 HD11 LEU 71 0.888 1.633 -0.284 561 HD12 LEU 71 HD12 LEU 71 1.924 0.292 0.193 562 HD13 LEU 71 HD13 LEU 71 0.498 0.692 1.157 563 HD21 LEU 71 HD21 LEU 71 1.151 -2.089 -0.159 564 HD22 LEU 71 HD22 LEU 71 -0.457 -2.405 -0.810 565 HD23 LEU 71 HD23 LEU 71 -0.279 -1.791 0.835 566 H VAL 72 HN VAL 72 -2.408 2.175 1.277 567 HA VAL 72 HA VAL 72 -0.841 1.784 3.556 568 HB VAL 72 HB VAL 72 -3.043 3.871 3.125 569 HG11 VAL 72 HG11 VAL 72 -0.885 3.827 5.291 570 HG12 VAL 72 HG12 VAL 72 -2.618 3.627 5.552 571 HG13 VAL 72 HG13 VAL 72 -1.989 5.170 4.977 572 HG21 VAL 72 HG21 VAL 72 -1.182 4.040 1.497 573 HG22 VAL 72 HG22 VAL 72 -0.008 4.086 2.810 574 HG23 VAL 72 HG23 VAL 72 -1.149 5.415 2.602 575 H ASP 73 HN ASP 73 -4.350 1.423 3.082 576 HA ASP 73 HA ASP 73 -4.930 0.841 5.845 577 HB2 ASP 73 HB2 ASP 73 -6.584 1.808 4.221 578 HB3 ASP 73 HB1 ASP 73 -6.630 0.255 3.398 579 H LYS 74 HN LYS 74 -3.991 -1.087 3.090 580 HA LYS 74 HA LYS 74 -4.450 -3.678 4.271 581 HB2 LYS 74 HB2 LYS 74 -2.381 -2.934 2.150 582 HB3 LYS 74 HB1 LYS 74 -2.817 -4.575 2.612 583 HG2 LYS 74 HG2 LYS 74 -4.550 -2.546 1.192 584 HG3 LYS 74 HG1 LYS 74 -3.922 -4.055 0.543 585 HD2 LYS 74 HD2 LYS 74 -5.376 -5.341 2.046 586 HD3 LYS 74 HD1 LYS 74 -5.935 -3.859 2.826 587 HE2 LYS 74 HE2 LYS 74 -7.612 -4.669 1.247 588 HE3 LYS 74 HE1 LYS 74 -6.960 -3.124 0.699 589 HZ1 LYS 74 HZ1 LYS 74 -6.158 -5.796 -0.330 590 HZ2 LYS 74 HZ2 LYS 74 -5.567 -4.309 -0.871 591 HZ3 LYS 74 HZ3 LYS 74 -7.190 -4.707 -1.107 592 H LYS 75 HN LYS 75 -1.901 -1.289 4.479 593 HA LYS 75 HA LYS 75 -0.156 -2.927 6.108 594 HB2 LYS 75 HB2 LYS 75 -0.063 0.037 5.426 595 HB3 LYS 75 HB1 LYS 75 1.185 -0.836 6.320 596 HG2 LYS 75 HG2 LYS 75 1.510 -2.328 4.352 597 HG3 LYS 75 HG1 LYS 75 0.343 -1.349 3.452 598 HD2 LYS 75 HD2 LYS 75 1.810 0.604 3.612 599 HD3 LYS 75 HD1 LYS 75 2.942 -0.293 4.638 600 HE2 LYS 75 HE2 LYS 75 2.282 -0.889 1.733 601 HE3 LYS 75 HE1 LYS 75 3.793 -0.230 2.362 602 HZ1 LYS 75 HZ1 LYS 75 4.121 -2.287 3.591 603 HZ2 LYS 75 HZ2 LYS 75 3.997 -2.568 1.934 604 HZ3 LYS 75 HZ3 LYS 75 2.695 -2.926 2.945 605 H LEU 76 HN LEU 76 -2.771 -0.679 6.634 606 HA LEU 76 HA LEU 76 -2.405 -0.451 9.482 607 HB2 LEU 76 HB2 LEU 76 -4.893 -0.027 7.782 608 HB3 LEU 76 HB1 LEU 76 -4.757 0.392 9.484 609 HG LEU 76 HG LEU 76 -3.169 1.655 7.217 610 HD11 LEU 76 HD11 LEU 76 -4.474 3.689 7.637 611 HD12 LEU 76 HD12 LEU 76 -5.442 2.835 8.841 612 HD13 LEU 76 HD13 LEU 76 -5.505 2.344 7.147 613 HD21 LEU 76 HD21 LEU 76 -1.834 1.584 9.266 614 HD22 LEU 76 HD22 LEU 76 -3.142 2.350 10.170 615 HD23 LEU 76 HD23 LEU 76 -2.315 3.237 8.890 616 H ALA 77 HN ALA 77 -3.950 -2.702 7.268 617 HA ALA 77 HA ALA 77 -5.151 -4.404 9.226 618 HB1 ALA 77 HB1 ALA 77 -5.821 -4.475 6.855 619 HB2 ALA 77 HB2 ALA 77 -5.294 -6.062 7.413 620 HB3 ALA 77 HB3 ALA 77 -4.225 -5.079 6.407 621 H ARG 78 HN ARG 78 -1.912 -4.100 7.840 622 HA ARG 78 HA ARG 78 -0.748 -6.359 9.173 623 HB2 ARG 78 HB2 ARG 78 0.608 -3.819 8.143 624 HB3 ARG 78 HB1 ARG 78 1.442 -5.286 8.655 625 HG2 ARG 78 HG2 ARG 78 -0.462 -5.059 6.304 626 HG3 ARG 78 HG1 ARG 78 1.299 -5.107 6.203 627 HD2 ARG 78 HD2 ARG 78 1.330 -7.378 7.081 628 HD3 ARG 78 HD1 ARG 78 -0.418 -7.332 7.354 629 HE ARG 78 HE ARG 78 -0.094 -6.794 4.681 630 HH11 ARG 78 HH11 ARG 78 0.788 -9.488 6.754 631 HH12 ARG 78 HH12 ARG 78 0.643 -10.653 5.479 632 HH21 ARG 78 HH21 ARG 78 -0.315 -8.324 3.055 633 HH22 ARG 78 HH22 ARG 78 -0.025 -9.995 3.400 634 H LYS 79 HN LYS 79 -1.493 -3.050 10.143 635 HA LYS 79 HA LYS 79 0.138 -3.001 12.483 636 HB2 LYS 79 HB2 LYS 79 -2.266 -1.317 11.709 637 HB3 LYS 79 HB1 LYS 79 -1.353 -1.057 13.194 638 HG2 LYS 79 HG2 LYS 79 -0.328 -0.808 10.357 639 HG3 LYS 79 HG1 LYS 79 -0.639 0.509 11.485 640 HD2 LYS 79 HD2 LYS 79 1.490 -1.647 11.890 641 HD3 LYS 79 HD1 LYS 79 1.801 -0.064 11.189 642 HE2 LYS 79 HE2 LYS 79 2.492 0.061 13.461 643 HE3 LYS 79 HE1 LYS 79 0.970 0.942 13.377 644 HZ1 LYS 79 HZ1 LYS 79 1.097 -0.462 15.313 645 HZ2 LYS 79 HZ2 LYS 79 1.319 -1.836 14.361 646 HZ3 LYS 79 HZ3 LYS 79 -0.145 -0.989 14.302 647 H LEU 80 HN LEU 80 -2.825 -4.668 11.866 648 HA LEU 80 HA LEU 80 -3.588 -5.150 14.560 649 HB2 LEU 80 HB2 LEU 80 -3.858 -6.802 12.023 650 HB3 LEU 80 HB1 LEU 80 -4.297 -7.490 13.573 651 HG LEU 80 HG LEU 80 -6.290 -6.700 12.440 652 HD11 LEU 80 HD11 LEU 80 -5.674 -4.912 14.803 653 HD12 LEU 80 HD12 LEU 80 -6.279 -6.571 14.871 654 HD13 LEU 80 HD13 LEU 80 -7.276 -5.303 14.164 655 HD21 LEU 80 HD21 LEU 80 -5.307 -4.971 11.008 656 HD22 LEU 80 HD22 LEU 80 -5.069 -3.924 12.408 657 HD23 LEU 80 HD23 LEU 80 -6.703 -4.352 11.888 658 H GLU 81 HN GLU 81 -2.778 -6.652 16.056 659 HA GLU 81 HA GLU 81 0.011 -6.693 16.135 660 HB2 GLU 81 HB2 GLU 81 -2.013 -7.114 18.027 661 HB3 GLU 81 HB1 GLU 81 -1.252 -8.692 17.955 662 HG2 GLU 81 HG2 GLU 81 0.016 -6.050 18.726 663 HG3 GLU 81 HG1 GLU 81 -0.238 -7.465 19.743 664 H HIS 82 HN HIS 82 1.545 -8.276 16.011 665 HA HIS 82 HA HIS 82 1.402 -10.028 13.837 666 HB2 HIS 82 HB2 HIS 82 3.441 -9.972 16.106 667 HB3 HIS 82 HB1 HIS 82 3.658 -10.802 14.568 668 HD1 HIS 82 HD1 HIS 82 4.475 -9.427 12.602 669 HD2 HIS 82 HD2 HIS 82 3.428 -7.078 15.864 670 HE1 HIS 82 HE1 HIS 82 5.231 -7.104 12.030 671 HE2 HIS 82 HE2 HIS 82 4.385 -5.679 13.922 672 H HIS 83 HN HIS 83 0.953 -10.600 17.286 673 HA HIS 83 HA HIS 83 -0.678 -12.875 16.805 674 HB2 HIS 83 HB2 HIS 83 0.649 -14.569 18.113 675 HB3 HIS 83 HB1 HIS 83 1.340 -14.160 16.555 676 HD1 HIS 83 HD1 HIS 83 3.712 -13.380 16.524 677 HD2 HIS 83 HD2 HIS 83 2.130 -13.443 20.367 678 HE1 HIS 83 HE1 HIS 83 5.656 -12.984 18.056 679 HE2 HIS 83 HE2 HIS 83 4.643 -12.839 20.348 680 H HIS 84 HN HIS 84 0.927 -10.726 19.008 681 HA HIS 84 HA HIS 84 0.409 -9.774 20.969 682 HB2 HIS 84 HB2 HIS 84 -1.934 -9.609 20.110 683 HB3 HIS 84 HB1 HIS 84 -2.291 -11.181 20.812 684 HD1 HIS 84 HD1 HIS 84 -1.948 -7.574 21.662 685 HD2 HIS 84 HD2 HIS 84 -2.539 -11.164 23.677 686 HE1 HIS 84 HE1 HIS 84 -2.723 -6.938 23.963 687 HE2 HIS 84 HE2 HIS 84 -3.237 -9.119 25.101 688 H HIS 85 HN HIS 85 -1.290 -12.915 21.438 689 HA HIS 85 HA HIS 85 0.212 -13.492 23.862 690 HB2 HIS 85 HB2 HIS 85 -2.205 -14.098 23.646 691 HB3 HIS 85 HB1 HIS 85 -1.808 -15.210 22.342 692 HD1 HIS 85 HD1 HIS 85 -1.834 -14.886 26.036 693 HD2 HIS 85 HD2 HIS 85 -0.515 -17.614 23.199 694 HE1 HIS 85 HE1 HIS 85 -1.373 -16.997 27.306 695 HE2 HIS 85 HE2 HIS 85 -0.713 -18.674 25.547 696 H HIS 86 HN HIS 86 2.083 -14.524 23.904 697 HA HIS 86 HA HIS 86 3.473 -15.345 21.558 698 HB2 HIS 86 HB2 HIS 86 4.724 -14.378 23.402 699 HB3 HIS 86 HB1 HIS 86 4.142 -15.600 24.526 700 HD1 HIS 86 HD1 HIS 86 5.718 -17.476 24.927 701 HD2 HIS 86 HD2 HIS 86 6.475 -15.613 21.290 702 HE1 HIS 86 HE1 HIS 86 7.762 -18.599 24.010 703 HE2 HIS 86 HE2 HIS 86 8.266 -17.388 21.867 704 H HIS 87 HN HIS 87 3.892 -17.331 20.748 705 HA HIS 87 HA HIS 87 3.287 -19.789 22.251 706 HB2 HIS 87 HB2 HIS 87 2.603 -19.301 19.308 707 HB3 HIS 87 HB1 HIS 87 2.544 -20.876 20.094 708 HD1 HIS 87 HD1 HIS 87 0.431 -18.172 19.180 709 HD2 HIS 87 HD2 HIS 87 0.617 -20.765 22.414 710 HE1 HIS 87 HE1 HIS 87 -1.848 -18.084 20.232 711 HE2 HIS 87 HE2 HIS 87 -1.766 -19.815 22.068 712 H282 PNS 88 H282 PNS 88 6.459 12.960 -9.068 713 H281 PNS 88 H281 PNS 88 6.663 12.921 -10.824 714 H303 PNS 88 H303 PNS 88 3.851 10.575 -10.298 715 H302 PNS 88 H302 PNS 88 4.130 12.179 -9.624 716 H301 PNS 88 H301 PNS 88 4.462 11.880 -11.335 717 H313 PNS 88 H313 PNS 88 5.477 11.072 -7.857 718 H312 PNS 88 H312 PNS 88 5.234 9.500 -8.622 719 H311 PNS 88 H311 PNS 88 6.874 10.078 -8.287 720 H32 PNS 88 H32 PNS 88 6.850 10.695 -11.964 721 H33 PNS 88 H33 PNS 88 7.327 8.478 -10.334 722 H36 PNS 88 H36 PNS 88 5.324 8.191 -9.873 723 H372 PNS 88 H372 PNS 88 3.092 7.657 -11.548 724 H371 PNS 88 H371 PNS 88 4.384 6.500 -11.900 725 H382 PNS 88 H382 PNS 88 2.738 5.705 -10.187 726 H381 PNS 88 H381 PNS 88 4.415 5.715 -9.636 727 H41 PNS 88 H41 PNS 88 1.459 7.746 -9.647 728 H422 PNS 88 H422 PNS 88 2.262 9.282 -7.302 729 H421 PNS 88 H421 PNS 88 0.754 9.415 -8.207 730 H431 PNS 88 H431 PNS 88 -0.108 7.401 -7.126 731 H432 PNS 88 H432 PNS 88 0.350 8.592 -5.921 732 H44 PNS 88 H44 PNS 88 3.016 7.036 -5.970 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -13.347 1.309 6.537 2 H2 MET 1 HT2 MET 1 -13.616 2.943 6.206 3 H3 MET 1 HT3 MET 1 -12.989 2.484 7.703 4 HA MET 1 HA MET 1 -10.984 1.683 6.673 5 HB2 MET 1 HB2 MET 1 -12.273 2.735 4.112 6 HB3 MET 1 HB1 MET 1 -10.581 2.272 4.243 7 HG2 MET 1 HG2 MET 1 -11.210 -0.038 4.696 8 HG3 MET 1 HG1 MET 1 -12.918 0.402 4.688 9 HE1 MET 1 HE1 MET 1 -9.638 0.067 2.454 10 HE2 MET 1 HE2 MET 1 -10.114 1.741 2.163 11 HE3 MET 1 HE3 MET 1 -10.265 0.544 0.876 12 HA PRO 2 HA PRO 2 -10.340 6.087 7.764 13 HB2 PRO 2 HB2 PRO 2 -8.177 5.816 9.308 14 HB3 PRO 2 HB1 PRO 2 -9.714 5.101 9.824 15 HG2 PRO 2 HG2 PRO 2 -7.354 3.756 8.492 16 HG3 PRO 2 HG1 PRO 2 -8.290 3.217 9.905 17 HD2 PRO 2 HD2 PRO 2 -8.742 2.334 7.296 18 HD3 PRO 2 HD1 PRO 2 -9.964 2.300 8.588 19 H THR 3 HN THR 3 -9.432 4.973 5.169 20 HA THR 3 HA THR 3 -6.604 5.242 4.875 21 HB THR 3 HB THR 3 -7.105 4.650 2.471 22 HG1 THR 3 HG1 THR 3 -9.295 4.183 1.945 23 HG21 THR 3 HG21 THR 3 -6.779 2.867 4.163 24 HG22 THR 3 HG22 THR 3 -7.957 2.386 2.940 25 HG23 THR 3 HG23 THR 3 -8.508 2.906 4.536 26 H LEU 4 HN LEU 4 -9.126 6.805 2.819 27 HA LEU 4 HA LEU 4 -7.439 8.887 1.930 28 HB2 LEU 4 HB2 LEU 4 -10.481 8.737 1.974 29 HB3 LEU 4 HB1 LEU 4 -9.541 9.887 1.031 30 HG LEU 4 HG LEU 4 -9.496 6.865 0.631 31 HD11 LEU 4 HD11 LEU 4 -10.756 7.259 -1.429 32 HD12 LEU 4 HD12 LEU 4 -10.872 8.981 -1.049 33 HD13 LEU 4 HD13 LEU 4 -11.663 7.789 -0.012 34 HD21 LEU 4 HD21 LEU 4 -7.361 7.905 -0.011 35 HD22 LEU 4 HD22 LEU 4 -8.212 9.061 -1.039 36 HD23 LEU 4 HD23 LEU 4 -8.236 7.339 -1.433 37 H ASP 5 HN ASP 5 -9.817 8.648 4.515 38 HA ASP 5 HA ASP 5 -10.084 11.262 5.392 39 HB2 ASP 5 HB2 ASP 5 -11.451 9.390 6.247 40 HB3 ASP 5 HB1 ASP 5 -10.052 8.715 7.077 41 H ALA 6 HN ALA 6 -7.635 8.879 6.431 42 HA ALA 6 HA ALA 6 -6.287 10.768 8.181 43 HB1 ALA 6 HB1 ALA 6 -5.453 7.969 7.355 44 HB2 ALA 6 HB2 ALA 6 -6.415 8.383 8.776 45 HB3 ALA 6 HB3 ALA 6 -4.741 8.930 8.658 46 H LEU 7 HN LEU 7 -5.884 9.570 4.890 47 HA LEU 7 HA LEU 7 -3.153 10.366 4.571 48 HB2 LEU 7 HB2 LEU 7 -5.294 9.630 2.546 49 HB3 LEU 7 HB1 LEU 7 -3.662 10.069 2.072 50 HG LEU 7 HG LEU 7 -4.379 7.672 3.813 51 HD11 LEU 7 HD11 LEU 7 -5.153 7.370 1.503 52 HD12 LEU 7 HD12 LEU 7 -3.812 6.290 1.870 53 HD13 LEU 7 HD13 LEU 7 -3.535 7.735 0.894 54 HD21 LEU 7 HD21 LEU 7 -2.158 8.544 4.359 55 HD22 LEU 7 HD22 LEU 7 -1.695 8.501 2.656 56 HD23 LEU 7 HD23 LEU 7 -2.026 6.999 3.523 57 H THR 8 HN THR 8 -6.255 12.008 4.072 58 HA THR 8 HA THR 8 -5.500 14.033 2.321 59 HB THR 8 HB THR 8 -7.610 14.183 4.516 60 HG1 THR 8 HG1 THR 8 -8.516 12.788 3.216 61 HG21 THR 8 HG21 THR 8 -7.279 15.924 2.045 62 HG22 THR 8 HG22 THR 8 -7.067 16.452 3.717 63 HG23 THR 8 HG23 THR 8 -8.659 15.955 3.139 64 HA PRO 9 HA PRO 9 -4.152 16.906 6.128 65 HB2 PRO 9 HB2 PRO 9 -3.500 14.805 8.184 66 HB3 PRO 9 HB1 PRO 9 -4.188 16.422 8.405 67 HG2 PRO 9 HG2 PRO 9 -5.740 14.274 8.617 68 HG3 PRO 9 HG1 PRO 9 -6.345 15.726 7.785 69 HD2 PRO 9 HD2 PRO 9 -5.257 13.169 6.584 70 HD3 PRO 9 HD1 PRO 9 -6.691 14.109 6.116 71 H ILE 10 HN ILE 10 -2.718 13.707 5.483 72 HA ILE 10 HA ILE 10 0.004 14.380 6.022 73 HB ILE 10 HB ILE 10 -1.028 12.295 4.041 74 HG12 ILE 10 HG12 ILE 10 -1.816 11.916 6.402 75 HG13 ILE 10 HG11 ILE 10 -0.801 10.619 5.789 76 HG21 ILE 10 HG21 ILE 10 1.757 12.603 5.248 77 HG22 ILE 10 HG22 ILE 10 1.310 12.836 3.556 78 HG23 ILE 10 HG23 ILE 10 1.222 11.232 4.276 79 HD11 ILE 10 HD11 ILE 10 0.099 12.800 7.675 80 HD12 ILE 10 HD12 ILE 10 1.076 11.447 7.093 81 HD13 ILE 10 HD13 ILE 10 -0.328 11.146 8.116 82 H PHE 11 HN PHE 11 -1.880 14.297 2.965 83 HA PHE 11 HA PHE 11 0.249 15.208 1.286 84 HB2 PHE 11 HB2 PHE 11 -2.761 15.021 0.846 85 HB3 PHE 11 HB1 PHE 11 -1.657 15.568 -0.407 86 HD1 PHE 11 HD2 PHE 11 -1.862 12.651 1.983 87 HD2 PHE 11 HD1 PHE 11 -1.135 13.946 -2.019 88 HE1 PHE 11 HE2 PHE 11 -1.553 10.316 1.292 89 HE2 PHE 11 HE1 PHE 11 -0.826 11.601 -2.698 90 HZ PHE 11 HZ PHE 11 -1.035 9.789 -1.056 91 H ARG 12 HN ARG 12 -2.601 16.819 2.706 92 HA ARG 12 HA ARG 12 -2.239 19.425 1.796 93 HB2 ARG 12 HB2 ARG 12 -3.535 18.228 4.239 94 HB3 ARG 12 HB1 ARG 12 -3.312 19.971 4.212 95 HG2 ARG 12 HG2 ARG 12 -4.629 20.123 2.130 96 HG3 ARG 12 HG1 ARG 12 -4.857 18.373 2.140 97 HD2 ARG 12 HD2 ARG 12 -6.464 18.456 3.788 98 HD3 ARG 12 HD1 ARG 12 -5.674 19.770 4.650 99 HE ARG 12 HE ARG 12 -6.737 21.346 3.257 100 HH11 ARG 12 HH11 ARG 12 -7.773 18.109 2.387 101 HH12 ARG 12 HH12 ARG 12 -9.302 18.638 1.774 102 HH21 ARG 12 HH21 ARG 12 -8.724 22.019 2.477 103 HH22 ARG 12 HH22 ARG 12 -9.844 20.861 1.828 104 H GLN 13 HN GLN 13 -0.666 17.793 4.544 105 HA GLN 13 HA GLN 13 0.633 20.112 5.588 106 HB2 GLN 13 HB2 GLN 13 0.147 18.139 6.978 107 HB3 GLN 13 HB1 GLN 13 1.202 17.146 5.979 108 HG2 GLN 13 HG2 GLN 13 3.153 18.496 6.726 109 HG3 GLN 13 HG1 GLN 13 2.080 19.462 7.742 110 HE21 GLN 13 HE21 GLN 13 4.372 17.739 8.458 111 HE22 GLN 13 HE22 GLN 13 3.764 16.615 9.618 112 H VAL 14 HN VAL 14 1.885 17.282 3.805 113 HA VAL 14 HA VAL 14 4.563 18.084 3.692 114 HB VAL 14 HB VAL 14 3.055 16.104 1.928 115 HG11 VAL 14 HG11 VAL 14 5.138 16.765 0.799 116 HG12 VAL 14 HG12 VAL 14 5.281 15.116 1.411 117 HG13 VAL 14 HG13 VAL 14 6.061 16.447 2.272 118 HG21 VAL 14 HG21 VAL 14 3.001 15.515 4.331 119 HG22 VAL 14 HG22 VAL 14 4.758 15.645 4.422 120 HG23 VAL 14 HG23 VAL 14 4.017 14.379 3.439 121 H PHE 15 HN PHE 15 2.013 18.421 1.173 122 HA PHE 15 HA PHE 15 3.786 19.832 -0.657 123 HB2 PHE 15 HB2 PHE 15 0.761 19.471 -0.733 124 HB3 PHE 15 HB1 PHE 15 1.713 20.216 -2.016 125 HD1 PHE 15 HD2 PHE 15 3.548 18.804 -3.127 126 HD2 PHE 15 HD1 PHE 15 0.455 17.123 -0.715 127 HE1 PHE 15 HE2 PHE 15 3.942 16.606 -4.126 128 HE2 PHE 15 HE1 PHE 15 0.864 14.930 -1.715 129 HZ PHE 15 HZ PHE 15 2.611 14.679 -3.414 130 H ASP 16 HN ASP 16 1.696 20.664 1.966 131 HA ASP 16 HA ASP 16 0.880 22.540 2.880 132 HB2 ASP 16 HB2 ASP 16 3.313 23.157 2.953 133 HB3 ASP 16 HB1 ASP 16 3.148 23.952 1.392 134 H ASP 17 HN ASP 17 -0.957 22.013 1.454 135 HA ASP 17 HA ASP 17 -1.866 24.272 -0.090 136 HB2 ASP 17 HB2 ASP 17 -0.466 23.062 -1.777 137 HB3 ASP 17 HB1 ASP 17 -1.438 21.616 -1.545 138 H ASP 18 HN ASP 18 -3.858 24.484 0.592 139 HA ASP 18 HA ASP 18 -5.420 22.437 1.836 140 HB2 ASP 18 HB2 ASP 18 -5.474 24.773 2.605 141 HB3 ASP 18 HB1 ASP 18 -6.120 25.297 1.052 142 H SER 19 HN SER 19 -5.148 23.468 -1.465 143 HA SER 19 HA SER 19 -7.869 22.848 -2.254 144 HB2 SER 19 HB2 SER 19 -5.398 23.321 -3.978 145 HB3 SER 19 HB1 SER 19 -7.063 23.257 -4.569 146 HG SER 19 HG SER 19 -6.324 25.043 -2.518 147 H ILE 20 HN ILE 20 -5.205 20.893 -1.509 148 HA ILE 20 HA ILE 20 -5.676 18.716 -3.322 149 HB ILE 20 HB ILE 20 -4.255 18.686 -0.615 150 HG12 ILE 20 HG12 ILE 20 -3.113 18.933 -3.437 151 HG13 ILE 20 HG11 ILE 20 -3.219 20.244 -2.268 152 HG21 ILE 20 HG21 ILE 20 -3.193 16.582 -1.409 153 HG22 ILE 20 HG22 ILE 20 -4.187 16.623 -2.865 154 HG23 ILE 20 HG23 ILE 20 -4.943 16.404 -1.285 155 HD11 ILE 20 HD11 ILE 20 -1.543 17.759 -2.022 156 HD12 ILE 20 HD12 ILE 20 -1.662 19.035 -0.808 157 HD13 ILE 20 HD13 ILE 20 -0.985 19.386 -2.397 158 H VAL 21 HN VAL 21 -7.616 17.833 -3.345 159 HA VAL 21 HA VAL 21 -8.796 16.736 -0.866 160 HB VAL 21 HB VAL 21 -10.351 17.488 -3.393 161 HG11 VAL 21 HG11 VAL 21 -12.352 17.198 -1.984 162 HG12 VAL 21 HG12 VAL 21 -11.336 16.786 -0.601 163 HG13 VAL 21 HG13 VAL 21 -11.384 15.720 -2.007 164 HG21 VAL 21 HG21 VAL 21 -10.141 19.125 -0.835 165 HG22 VAL 21 HG22 VAL 21 -11.229 19.461 -2.184 166 HG23 VAL 21 HG23 VAL 21 -9.483 19.570 -2.412 167 H LEU 22 HN LEU 22 -8.177 14.640 -0.928 168 HA LEU 22 HA LEU 22 -7.114 13.379 -3.211 169 HB2 LEU 22 HB2 LEU 22 -7.949 12.202 -0.540 170 HB3 LEU 22 HB1 LEU 22 -7.033 11.330 -1.765 171 HG LEU 22 HG LEU 22 -6.097 13.783 -0.217 172 HD11 LEU 22 HD11 LEU 22 -4.436 12.259 0.738 173 HD12 LEU 22 HD12 LEU 22 -5.138 10.907 -0.152 174 HD13 LEU 22 HD13 LEU 22 -6.077 11.728 1.099 175 HD21 LEU 22 HD21 LEU 22 -5.227 13.908 -2.504 176 HD22 LEU 22 HD22 LEU 22 -4.636 12.248 -2.403 177 HD23 LEU 22 HD23 LEU 22 -3.932 13.504 -1.381 178 H THR 23 HN THR 23 -7.962 12.208 -4.704 179 HA THR 23 HA THR 23 -10.558 10.818 -4.380 180 HB THR 23 HB THR 23 -10.835 10.929 -6.848 181 HG1 THR 23 HG1 THR 23 -9.333 12.470 -7.954 182 HG21 THR 23 HG21 THR 23 -11.315 13.338 -7.143 183 HG22 THR 23 HG22 THR 23 -10.375 13.712 -5.695 184 HG23 THR 23 HG23 THR 23 -11.868 12.775 -5.564 185 H ARG 24 HN ARG 24 -10.522 8.773 -5.790 186 HA ARG 24 HA ARG 24 -8.225 7.190 -5.323 187 HB2 ARG 24 HB2 ARG 24 -10.647 6.711 -7.100 188 HB3 ARG 24 HB1 ARG 24 -9.349 5.538 -6.936 189 HG2 ARG 24 HG2 ARG 24 -11.104 4.837 -5.493 190 HG3 ARG 24 HG1 ARG 24 -9.804 5.440 -4.468 191 HD2 ARG 24 HD2 ARG 24 -11.029 7.516 -4.076 192 HD3 ARG 24 HD1 ARG 24 -12.285 7.024 -5.219 193 HE ARG 24 HE ARG 24 -11.984 5.091 -3.156 194 HH11 ARG 24 HH11 ARG 24 -13.352 8.291 -3.673 195 HH12 ARG 24 HH12 ARG 24 -14.596 8.067 -2.486 196 HH21 ARG 24 HH21 ARG 24 -13.601 4.837 -1.615 197 HH22 ARG 24 HH22 ARG 24 -14.727 6.121 -1.319 198 H GLU 25 HN GLU 25 -8.965 9.405 -7.887 199 HA GLU 25 HA GLU 25 -6.983 8.205 -9.721 200 HB2 GLU 25 HB2 GLU 25 -7.975 9.670 -11.457 201 HB3 GLU 25 HB1 GLU 25 -9.169 8.616 -10.706 202 HG2 GLU 25 HG2 GLU 25 -9.888 10.543 -9.266 203 HG3 GLU 25 HG1 GLU 25 -8.785 11.579 -10.170 204 H THR 26 HN THR 26 -7.045 10.581 -7.320 205 HA THR 26 HA THR 26 -5.379 12.601 -8.385 206 HB THR 26 HB THR 26 -5.506 11.547 -5.519 207 HG1 THR 26 HG1 THR 26 -7.224 12.967 -6.960 208 HG21 THR 26 HG21 THR 26 -3.394 12.801 -5.854 209 HG22 THR 26 HG22 THR 26 -4.513 13.708 -4.838 210 HG23 THR 26 HG23 THR 26 -4.305 14.161 -6.529 211 H SER 27 HN SER 27 -3.338 12.456 -9.117 212 HA SER 27 HA SER 27 -1.493 10.346 -8.218 213 HB2 SER 27 HB2 SER 27 -0.916 9.864 -10.581 214 HB3 SER 27 HB1 SER 27 -2.634 9.578 -10.301 215 HG SER 27 HG SER 27 -2.914 10.882 -11.910 216 H ALA 28 HN ALA 28 0.731 10.769 -9.199 217 HA ALA 28 HA ALA 28 1.819 13.246 -8.599 218 HB1 ALA 28 HB1 ALA 28 3.793 12.399 -9.789 219 HB2 ALA 28 HB2 ALA 28 2.814 11.131 -10.526 220 HB3 ALA 28 HB3 ALA 28 3.069 11.146 -8.781 221 H ASN 29 HN ASN 29 0.352 12.107 -11.561 222 HA ASN 29 HA ASN 29 1.196 14.191 -13.336 223 HB2 ASN 29 HB2 ASN 29 0.556 11.988 -14.196 224 HB3 ASN 29 HB1 ASN 29 -1.036 12.115 -13.469 225 HD21 ASN 29 HD21 ASN 29 -2.626 13.365 -14.502 226 HD22 ASN 29 HD22 ASN 29 -2.449 13.937 -16.120 227 H ASP 30 HN ASP 30 -1.498 13.686 -11.156 228 HA ASP 30 HA ASP 30 -3.349 15.523 -12.336 229 HB2 ASP 30 HB2 ASP 30 -4.009 13.449 -11.143 230 HB3 ASP 30 HB1 ASP 30 -3.355 14.108 -9.644 231 H ILE 31 HN ILE 31 -0.779 15.964 -10.059 232 HA ILE 31 HA ILE 31 -1.801 18.654 -9.304 233 HB ILE 31 HB ILE 31 -0.161 16.732 -7.573 234 HG12 ILE 31 HG12 ILE 31 -2.951 17.914 -7.182 235 HG13 ILE 31 HG11 ILE 31 -2.585 16.228 -7.523 236 HG21 ILE 31 HG21 ILE 31 0.718 19.015 -7.300 237 HG22 ILE 31 HG22 ILE 31 -0.102 18.473 -5.838 238 HG23 ILE 31 HG23 ILE 31 -0.905 19.603 -6.929 239 HD11 ILE 31 HD11 ILE 31 -1.938 17.739 -4.988 240 HD12 ILE 31 HD12 ILE 31 -1.498 16.061 -5.305 241 HD13 ILE 31 HD13 ILE 31 -3.195 16.526 -5.212 242 H ASP 32 HN ASP 32 -0.565 20.214 -10.180 243 HA ASP 32 HA ASP 32 1.798 19.700 -11.669 244 HB2 ASP 32 HB2 ASP 32 0.103 21.487 -12.196 245 HB3 ASP 32 HB1 ASP 32 0.647 22.390 -10.787 246 H ALA 33 HN ALA 33 1.233 21.035 -8.433 247 HA ALA 33 HA ALA 33 4.015 21.679 -7.946 248 HB1 ALA 33 HB1 ALA 33 1.696 21.516 -5.995 249 HB2 ALA 33 HB2 ALA 33 2.196 22.960 -6.880 250 HB3 ALA 33 HB3 ALA 33 3.275 22.244 -5.678 251 H TRP 34 HN TRP 34 2.720 18.704 -8.343 252 HA TRP 34 HA TRP 34 4.136 17.379 -6.153 253 HB2 TRP 34 HB2 TRP 34 1.766 16.756 -7.208 254 HB3 TRP 34 HB1 TRP 34 2.721 15.966 -8.449 255 HD1 TRP 34 HD1 TRP 34 4.940 14.823 -6.209 256 HE1 TRP 34 HE1 TRP 34 4.221 12.784 -4.810 257 HE3 TRP 34 HE3 TRP 34 -0.121 15.114 -6.856 258 HZ2 TRP 34 HZ2 TRP 34 1.850 11.472 -4.099 259 HZ3 TRP 34 HZ3 TRP 34 -1.547 13.430 -5.784 260 HH2 TRP 34 HH2 TRP 34 -0.578 11.644 -4.435 261 H ASP 35 HN ASP 35 6.246 16.876 -6.451 262 HA ASP 35 HA ASP 35 7.300 16.093 -9.118 263 HB2 ASP 35 HB2 ASP 35 8.608 17.774 -6.937 264 HB3 ASP 35 HB1 ASP 35 9.593 16.887 -8.097 265 H SER 36 HN SER 36 9.232 14.560 -8.893 266 HA SER 36 HA SER 36 8.493 12.307 -7.385 267 HB2 SER 36 HB2 SER 36 11.332 12.241 -8.216 268 HB3 SER 36 HB1 SER 36 9.999 11.208 -8.716 269 H LEU 37 HN LEU 37 10.762 14.911 -6.805 270 HA LEU 37 HA LEU 37 12.016 14.065 -4.437 271 HB2 LEU 37 HB2 LEU 37 11.250 16.861 -5.370 272 HB3 LEU 37 HB1 LEU 37 12.125 16.590 -3.877 273 HG LEU 37 HG LEU 37 13.726 17.262 -5.521 274 HD11 LEU 37 HD11 LEU 37 14.018 14.266 -5.190 275 HD12 LEU 37 HD12 LEU 37 14.494 15.493 -4.014 276 HD13 LEU 37 HD13 LEU 37 15.303 15.419 -5.576 277 HD21 LEU 37 HD21 LEU 37 12.719 15.075 -7.352 278 HD22 LEU 37 HD22 LEU 37 14.089 16.146 -7.660 279 HD23 LEU 37 HD23 LEU 37 12.462 16.811 -7.548 280 H SER 38 HN SER 38 8.889 15.637 -4.958 281 HA SER 38 HA SER 38 8.191 16.144 -2.260 282 HB2 SER 38 HB2 SER 38 6.274 15.703 -4.592 283 HB3 SER 38 HB1 SER 38 5.966 16.621 -3.110 284 HG SER 38 HG SER 38 7.756 17.998 -3.816 285 H HIS 39 HN HIS 39 7.623 13.395 -4.433 286 HA HIS 39 HA HIS 39 5.951 11.802 -2.865 287 HB2 HIS 39 HB2 HIS 39 8.090 11.019 -4.869 288 HB3 HIS 39 HB1 HIS 39 7.099 9.805 -4.057 289 HD2 HIS 39 HD2 HIS 39 6.842 12.428 -6.860 290 HE1 HIS 39 HE1 HIS 39 3.179 10.362 -6.552 291 HE2 HIS 39 HE2 HIS 39 4.463 12.161 -7.783 292 H MET 40 HN MET 40 9.519 12.003 -2.791 293 HA MET 40 HA MET 40 9.904 9.863 -0.997 294 HB2 MET 40 HB2 MET 40 11.656 12.289 -1.535 295 HB3 MET 40 HB1 MET 40 12.162 10.900 -0.569 296 HG2 MET 40 HG2 MET 40 11.501 10.953 -3.523 297 HG3 MET 40 HG1 MET 40 13.053 10.595 -2.764 298 HE1 MET 40 HE1 MET 40 11.866 8.660 -0.285 299 HE2 MET 40 HE2 MET 40 13.371 8.323 -1.142 300 HE3 MET 40 HE3 MET 40 12.126 7.081 -1.021 301 H ASN 41 HN ASN 41 9.094 13.224 -0.443 302 HA ASN 41 HA ASN 41 9.334 13.166 2.418 303 HB2 ASN 41 HB2 ASN 41 7.770 15.070 0.622 304 HB3 ASN 41 HB1 ASN 41 8.034 15.301 2.346 305 HD21 ASN 41 HD21 ASN 41 9.455 15.501 -0.811 306 HD22 ASN 41 HD22 ASN 41 10.919 16.278 -0.326 307 H LEU 42 HN LEU 42 6.723 12.460 0.106 308 HA LEU 42 HA LEU 42 4.556 12.144 1.913 309 HB2 LEU 42 HB2 LEU 42 5.153 11.143 -0.869 310 HB3 LEU 42 HB1 LEU 42 3.918 10.263 0.004 311 HG LEU 42 HG LEU 42 3.033 12.034 -1.534 312 HD11 LEU 42 HD11 LEU 42 1.680 11.219 0.325 313 HD12 LEU 42 HD12 LEU 42 1.374 12.927 0.014 314 HD13 LEU 42 HD13 LEU 42 2.371 12.447 1.395 315 HD21 LEU 42 HD21 LEU 42 4.294 13.937 0.442 316 HD22 LEU 42 HD22 LEU 42 3.201 14.379 -0.870 317 HD23 LEU 42 HD23 LEU 42 4.783 13.698 -1.238 318 H ILE 43 HN ILE 43 6.811 9.732 0.562 319 HA ILE 43 HA ILE 43 5.797 7.459 1.794 320 HB ILE 43 HB ILE 43 8.513 8.123 0.625 321 HG12 ILE 43 HG12 ILE 43 7.947 6.270 -0.970 322 HG13 ILE 43 HG11 ILE 43 6.436 6.003 -0.112 323 HG21 ILE 43 HG21 ILE 43 9.122 6.688 2.507 324 HG22 ILE 43 HG22 ILE 43 9.319 5.801 0.994 325 HG23 ILE 43 HG23 ILE 43 7.916 5.491 2.024 326 HD11 ILE 43 HD11 ILE 43 6.076 7.194 -2.160 327 HD12 ILE 43 HD12 ILE 43 7.208 8.451 -1.678 328 HD13 ILE 43 HD13 ILE 43 5.693 8.241 -0.798 329 H VAL 44 HN VAL 44 8.597 9.493 2.891 330 HA VAL 44 HA VAL 44 9.119 7.986 5.206 331 HB VAL 44 HB VAL 44 10.463 9.875 6.013 332 HG11 VAL 44 HG11 VAL 44 12.059 10.017 4.121 333 HG12 VAL 44 HG12 VAL 44 10.830 9.359 3.039 334 HG13 VAL 44 HG13 VAL 44 11.465 8.369 4.357 335 HG21 VAL 44 HG21 VAL 44 9.322 11.467 3.686 336 HG22 VAL 44 HG22 VAL 44 10.630 12.001 4.743 337 HG23 VAL 44 HG23 VAL 44 9.009 11.765 5.397 338 H SER 45 HN SER 45 6.879 10.689 4.695 339 HA SER 45 HA SER 45 6.119 11.046 7.428 340 HB2 SER 45 HB2 SER 45 4.634 11.720 4.860 341 HB3 SER 45 HB1 SER 45 4.115 12.232 6.468 342 HG SER 45 HG SER 45 6.577 12.875 5.211 343 H LEU 46 HN LEU 46 4.867 8.947 4.823 344 HA LEU 46 HA LEU 46 2.588 7.965 6.247 345 HB2 LEU 46 HB2 LEU 46 4.111 6.660 3.949 346 HB3 LEU 46 HB1 LEU 46 2.510 6.199 4.502 347 HG LEU 46 HG LEU 46 3.247 8.835 3.156 348 HD11 LEU 46 HD11 LEU 46 1.864 8.063 1.289 349 HD12 LEU 46 HD12 LEU 46 1.593 6.520 2.108 350 HD13 LEU 46 HD13 LEU 46 3.218 6.974 1.585 351 HD21 LEU 46 HD21 LEU 46 0.855 9.370 3.174 352 HD22 LEU 46 HD22 LEU 46 1.492 9.223 4.809 353 HD23 LEU 46 HD23 LEU 46 0.522 7.915 4.125 354 H GLU 47 HN GLU 47 5.944 6.981 5.995 355 HA GLU 47 HA GLU 47 5.741 4.385 7.148 356 HB2 GLU 47 HB2 GLU 47 8.156 6.218 6.829 357 HB3 GLU 47 HB1 GLU 47 8.239 4.509 7.267 358 HG2 GLU 47 HG2 GLU 47 7.066 5.543 4.670 359 HG3 GLU 47 HG1 GLU 47 8.737 5.026 4.860 360 H VAL 48 HN VAL 48 6.605 7.587 8.489 361 HA VAL 48 HA VAL 48 7.001 6.468 11.126 362 HB VAL 48 HB VAL 48 7.445 8.753 11.885 363 HG11 VAL 48 HG11 VAL 48 9.483 9.152 10.550 364 HG12 VAL 48 HG12 VAL 48 8.884 8.055 9.305 365 HG13 VAL 48 HG13 VAL 48 9.269 7.438 10.914 366 HG21 VAL 48 HG21 VAL 48 5.871 10.057 10.512 367 HG22 VAL 48 HG22 VAL 48 6.787 9.666 9.056 368 HG23 VAL 48 HG23 VAL 48 7.512 10.676 10.312 369 H HIS 49 HN HIS 49 4.425 8.515 9.659 370 HA HIS 49 HA HIS 49 3.018 8.975 12.096 371 HB2 HIS 49 HB2 HIS 49 2.205 9.311 9.188 372 HB3 HIS 49 HB1 HIS 49 1.059 9.609 10.491 373 HD1 HIS 49 HD1 HIS 49 1.207 11.813 11.691 374 HD2 HIS 49 HD2 HIS 49 4.411 11.201 9.123 375 HE1 HIS 49 HE1 HIS 49 2.405 14.014 11.575 376 HE2 HIS 49 HE2 HIS 49 4.259 13.656 9.906 377 H TYR 50 HN TYR 50 2.497 6.624 9.472 378 HA TYR 50 HA TYR 50 0.375 5.270 10.990 379 HB2 TYR 50 HB2 TYR 50 1.511 4.636 8.228 380 HB3 TYR 50 HB1 TYR 50 0.102 3.873 8.959 381 HD1 TYR 50 HD2 TYR 50 1.405 7.021 7.523 382 HD2 TYR 50 HD1 TYR 50 -2.062 4.981 8.954 383 HE1 TYR 50 HE2 TYR 50 -0.015 8.771 6.574 384 HE2 TYR 50 HE1 TYR 50 -3.483 6.742 8.010 385 HH TYR 50 HH TYR 50 -2.266 9.114 5.870 386 H LYS 51 HN LYS 51 3.699 5.173 10.903 387 HA LYS 51 HA LYS 51 5.364 3.684 11.086 388 HB2 LYS 51 HB2 LYS 51 5.120 2.135 13.193 389 HB3 LYS 51 HB1 LYS 51 5.234 3.872 13.367 390 HG2 LYS 51 HG2 LYS 51 3.587 3.231 14.897 391 HG3 LYS 51 HG1 LYS 51 2.693 3.898 13.532 392 HD2 LYS 51 HD2 LYS 51 2.280 1.545 12.727 393 HD3 LYS 51 HD1 LYS 51 3.064 0.950 14.196 394 HE2 LYS 51 HE2 LYS 51 1.344 2.078 15.572 395 HE3 LYS 51 HE1 LYS 51 0.572 2.693 14.106 396 HZ1 LYS 51 HZ1 LYS 51 0.251 0.350 13.431 397 HZ2 LYS 51 HZ2 LYS 51 -0.590 0.780 14.831 398 HZ3 LYS 51 HZ3 LYS 51 0.827 -0.133 14.942 399 H ILE 52 HN ILE 52 4.008 3.014 8.986 400 HA ILE 52 HA ILE 52 3.823 0.056 8.889 401 HB ILE 52 HB ILE 52 2.629 0.339 6.712 402 HG12 ILE 52 HG12 ILE 52 2.711 3.333 7.352 403 HG13 ILE 52 HG11 ILE 52 3.520 2.535 6.005 404 HG21 ILE 52 HG21 ILE 52 1.283 1.791 9.022 405 HG22 ILE 52 HG22 ILE 52 1.342 0.045 8.787 406 HG23 ILE 52 HG23 ILE 52 0.464 1.055 7.642 407 HD11 ILE 52 HD11 ILE 52 0.536 2.793 6.398 408 HD12 ILE 52 HD12 ILE 52 1.325 1.964 5.052 409 HD13 ILE 52 HD13 ILE 52 1.534 3.702 5.263 410 H LYS 53 HN LYS 53 4.384 -0.461 6.261 411 HA LYS 53 HA LYS 53 6.984 0.748 5.640 412 HB2 LYS 53 HB2 LYS 53 7.395 -1.146 7.248 413 HB3 LYS 53 HB1 LYS 53 6.661 -2.261 6.104 414 HG2 LYS 53 HG2 LYS 53 9.050 -0.588 5.283 415 HG3 LYS 53 HG1 LYS 53 9.282 -2.044 6.252 416 HD2 LYS 53 HD2 LYS 53 8.278 -3.423 4.497 417 HD3 LYS 53 HD1 LYS 53 7.867 -1.990 3.554 418 HE2 LYS 53 HE2 LYS 53 10.259 -1.503 3.248 419 HE3 LYS 53 HE1 LYS 53 10.679 -2.932 4.198 420 HZ1 LYS 53 HZ1 LYS 53 9.163 -2.938 1.646 421 HZ2 LYS 53 HZ2 LYS 53 9.572 -4.305 2.548 422 HZ3 LYS 53 HZ3 LYS 53 10.784 -3.371 1.831 423 H PHE 54 HN PHE 54 6.364 1.486 3.655 424 HA PHE 54 HA PHE 54 5.423 -0.332 1.558 425 HB2 PHE 54 HB2 PHE 54 6.453 2.549 1.376 426 HB3 PHE 54 HB1 PHE 54 5.826 1.623 0.023 427 HD1 PHE 54 HD1 PHE 54 4.944 3.467 3.076 428 HD2 PHE 54 HD2 PHE 54 3.388 1.293 -0.270 429 HE1 PHE 54 HE1 PHE 54 2.721 4.389 3.505 430 HE2 PHE 54 HE2 PHE 54 1.163 2.224 0.187 431 HZ PHE 54 HZ PHE 54 0.823 3.769 2.067 432 H ALA 55 HN ALA 55 6.748 -0.983 -0.174 433 HA ALA 55 HA ALA 55 9.672 -0.481 -0.038 434 HB1 ALA 55 HB1 ALA 55 9.852 -2.449 -1.545 435 HB2 ALA 55 HB2 ALA 55 8.096 -2.638 -1.512 436 HB3 ALA 55 HB3 ALA 55 9.035 -2.872 -0.037 437 H LEU 56 HN LEU 56 10.660 0.343 -1.991 438 HA LEU 56 HA LEU 56 9.097 2.204 -3.491 439 HB2 LEU 56 HB2 LEU 56 11.684 2.175 -2.945 440 HB3 LEU 56 HB1 LEU 56 11.837 1.213 -4.394 441 HG LEU 56 HG LEU 56 12.379 3.649 -4.698 442 HD11 LEU 56 HD11 LEU 56 11.248 4.010 -6.812 443 HD12 LEU 56 HD12 LEU 56 10.061 2.761 -6.421 444 HD13 LEU 56 HD13 LEU 56 11.756 2.328 -6.653 445 HD21 LEU 56 HD21 LEU 56 9.421 4.135 -4.231 446 HD22 LEU 56 HD22 LEU 56 10.606 5.334 -4.752 447 HD23 LEU 56 HD23 LEU 56 10.740 4.605 -3.156 448 H GLY 57 HN GLY 57 10.043 -1.142 -4.054 449 HA2 GLY 57 HA2 GLY 57 9.284 -1.546 -6.715 450 HA3 GLY 57 HA1 GLY 57 9.155 -2.745 -5.431 451 H GLU 58 HN GLU 58 7.311 -1.624 -3.739 452 HA GLU 58 HA GLU 58 4.775 -2.082 -4.936 453 HB2 GLU 58 HB2 GLU 58 5.391 -0.665 -2.300 454 HB3 GLU 58 HB1 GLU 58 3.801 -1.242 -2.803 455 HG2 GLU 58 HG2 GLU 58 4.675 -3.569 -2.799 456 HG3 GLU 58 HG1 GLU 58 6.231 -2.968 -2.218 457 H LEU 59 HN LEU 59 6.591 0.899 -4.167 458 HA LEU 59 HA LEU 59 4.627 2.808 -4.737 459 HB2 LEU 59 HB2 LEU 59 7.638 2.881 -4.708 460 HB3 LEU 59 HB1 LEU 59 6.813 4.228 -5.452 461 HG LEU 59 HG LEU 59 7.373 4.802 -3.171 462 HD11 LEU 59 HD11 LEU 59 5.291 5.686 -4.087 463 HD12 LEU 59 HD12 LEU 59 5.192 5.478 -2.343 464 HD13 LEU 59 HD13 LEU 59 4.399 4.322 -3.415 465 HD21 LEU 59 HD21 LEU 59 6.453 3.638 -1.221 466 HD22 LEU 59 HD22 LEU 59 7.498 2.577 -2.164 467 HD23 LEU 59 HD23 LEU 59 5.744 2.406 -2.272 468 H GLN 60 HN GLN 60 6.939 1.219 -6.921 469 HA GLN 60 HA GLN 60 6.207 2.645 -9.274 470 HB2 GLN 60 HB2 GLN 60 7.508 -0.090 -8.963 471 HB3 GLN 60 HB1 GLN 60 7.405 0.799 -10.478 472 HG2 GLN 60 HG2 GLN 60 8.840 1.844 -8.019 473 HG3 GLN 60 HG1 GLN 60 9.630 0.924 -9.295 474 HE21 GLN 60 HE21 GLN 60 11.038 2.669 -9.707 475 HE22 GLN 60 HE22 GLN 60 10.519 4.085 -10.547 476 H LYS 61 HN LYS 61 4.765 -0.047 -7.597 477 HA LYS 61 HA LYS 61 3.038 -0.876 -9.790 478 HB2 LYS 61 HB2 LYS 61 2.856 -1.617 -6.834 479 HB3 LYS 61 HB1 LYS 61 2.004 -2.403 -8.160 480 HG2 LYS 61 HG2 LYS 61 4.959 -2.474 -7.545 481 HG3 LYS 61 HG1 LYS 61 3.818 -3.820 -7.534 482 HD2 LYS 61 HD2 LYS 61 3.575 -3.564 -10.023 483 HD3 LYS 61 HD1 LYS 61 4.793 -2.281 -9.981 484 HE2 LYS 61 HE2 LYS 61 5.177 -5.213 -9.305 485 HE3 LYS 61 HE1 LYS 61 5.887 -4.318 -10.651 486 HZ1 LYS 61 HZ1 LYS 61 6.489 -3.963 -7.766 487 HZ2 LYS 61 HZ2 LYS 61 7.087 -2.962 -8.984 488 HZ3 LYS 61 HZ3 LYS 61 7.519 -4.592 -8.947 489 H LEU 62 HN LEU 62 3.004 1.651 -7.483 490 HA LEU 62 HA LEU 62 0.104 1.977 -7.404 491 HB2 LEU 62 HB2 LEU 62 2.169 4.041 -6.537 492 HB3 LEU 62 HB1 LEU 62 0.484 3.929 -6.048 493 HG LEU 62 HG LEU 62 2.809 2.188 -5.155 494 HD11 LEU 62 HD11 LEU 62 2.588 4.320 -3.984 495 HD12 LEU 62 HD12 LEU 62 2.260 2.964 -2.909 496 HD13 LEU 62 HD13 LEU 62 0.921 3.928 -3.544 497 HD21 LEU 62 HD21 LEU 62 -0.096 1.692 -4.462 498 HD22 LEU 62 HD22 LEU 62 1.304 0.816 -3.844 499 HD23 LEU 62 HD23 LEU 62 0.883 0.705 -5.548 500 H LYS 63 HN LYS 63 -1.010 3.502 -8.615 501 HA LYS 63 HA LYS 63 0.472 5.090 -10.642 502 HB2 LYS 63 HB2 LYS 63 -0.925 3.310 -11.646 503 HB3 LYS 63 HB1 LYS 63 -2.336 3.899 -10.777 504 HG2 LYS 63 HG2 LYS 63 -2.215 6.026 -12.062 505 HG3 LYS 63 HG1 LYS 63 -0.829 5.382 -12.952 506 HD2 LYS 63 HD2 LYS 63 -2.258 3.540 -13.814 507 HD3 LYS 63 HD1 LYS 63 -3.639 4.212 -12.939 508 HE2 LYS 63 HE2 LYS 63 -3.451 6.291 -14.301 509 HE3 LYS 63 HE1 LYS 63 -2.113 5.563 -15.197 510 HZ1 LYS 63 HZ1 LYS 63 -3.617 3.829 -15.946 511 HZ2 LYS 63 HZ2 LYS 63 -4.193 5.353 -16.385 512 HZ3 LYS 63 HZ3 LYS 63 -4.895 4.530 -15.086 513 H ASN 64 HN ASN 64 -2.016 5.014 -8.177 514 HA ASN 64 HA ASN 64 -2.188 7.897 -8.011 515 HB2 ASN 64 HB2 ASN 64 -4.765 7.799 -8.306 516 HB3 ASN 64 HB1 ASN 64 -3.783 7.706 -9.758 517 HD21 ASN 64 HD21 ASN 64 -4.603 5.071 -7.458 518 HD22 ASN 64 HD22 ASN 64 -5.422 4.113 -8.627 519 H VAL 65 HN VAL 65 -4.127 8.396 -6.317 520 HA VAL 65 HA VAL 65 -3.193 7.275 -3.851 521 HB VAL 65 HB VAL 65 -5.394 9.330 -4.392 522 HG11 VAL 65 HG11 VAL 65 -5.242 9.971 -1.997 523 HG12 VAL 65 HG12 VAL 65 -4.135 8.626 -1.706 524 HG13 VAL 65 HG13 VAL 65 -5.803 8.307 -2.181 525 HG21 VAL 65 HG21 VAL 65 -3.714 11.000 -3.686 526 HG22 VAL 65 HG22 VAL 65 -3.132 10.071 -5.068 527 HG23 VAL 65 HG23 VAL 65 -2.523 9.717 -3.451 528 H GLY 66 HN GLY 66 -5.681 6.331 -6.009 529 HA2 GLY 66 HA2 GLY 66 -7.410 4.897 -4.271 530 HA3 GLY 66 HA1 GLY 66 -7.092 4.515 -5.961 531 H ASP 67 HN ASP 67 -4.263 4.170 -5.687 532 HA ASP 67 HA ASP 67 -4.049 1.482 -4.727 533 HB2 ASP 67 HB2 ASP 67 -1.847 3.407 -5.581 534 HB3 ASP 67 HB1 ASP 67 -1.659 1.672 -5.324 535 H LEU 68 HN LEU 68 -2.979 4.688 -3.499 536 HA LEU 68 HA LEU 68 -1.633 3.729 -1.205 537 HB2 LEU 68 HB2 LEU 68 -2.911 6.401 -1.831 538 HB3 LEU 68 HB1 LEU 68 -2.318 6.082 -0.217 539 HG LEU 68 HG LEU 68 -0.619 7.308 -1.306 540 HD11 LEU 68 HD11 LEU 68 1.323 5.817 -1.297 541 HD12 LEU 68 HD12 LEU 68 0.253 4.413 -1.306 542 HD13 LEU 68 HD13 LEU 68 0.248 5.521 0.071 543 HD21 LEU 68 HD21 LEU 68 -1.325 7.029 -3.638 544 HD22 LEU 68 HD22 LEU 68 -0.731 5.365 -3.642 545 HD23 LEU 68 HD23 LEU 68 0.402 6.712 -3.469 546 H ALA 69 HN ALA 69 -5.050 4.519 -1.765 547 HA ALA 69 HA ALA 69 -6.026 4.217 0.859 548 HB1 ALA 69 HB1 ALA 69 -8.233 3.858 -0.183 549 HB2 ALA 69 HB2 ALA 69 -7.461 3.624 -1.756 550 HB3 ALA 69 HB3 ALA 69 -7.380 5.197 -0.958 551 H ASP 70 HN ASP 70 -5.519 1.899 -1.763 552 HA ASP 70 HA ASP 70 -6.450 -0.423 -0.474 553 HB2 ASP 70 HB2 ASP 70 -6.159 -0.366 -2.898 554 HB3 ASP 70 HB1 ASP 70 -4.429 -0.068 -2.724 555 H LEU 71 HN LEU 71 -3.080 0.743 -0.883 556 HA LEU 71 HA LEU 71 -1.886 -1.456 0.435 557 HB2 LEU 71 HB2 LEU 71 -0.850 1.171 -0.591 558 HB3 LEU 71 HB1 LEU 71 0.140 0.354 0.598 559 HG LEU 71 HG LEU 71 0.956 -0.192 -1.600 560 HD11 LEU 71 HD11 LEU 71 0.882 -2.641 -1.563 561 HD12 LEU 71 HD12 LEU 71 -0.469 -2.600 -0.427 562 HD13 LEU 71 HD13 LEU 71 1.114 -1.980 0.054 563 HD21 LEU 71 HD21 LEU 71 -1.818 -1.209 -2.263 564 HD22 LEU 71 HD22 LEU 71 -0.384 -1.353 -3.288 565 HD23 LEU 71 HD23 LEU 71 -1.037 0.238 -2.908 566 H VAL 72 HN VAL 72 -2.418 1.915 1.552 567 HA VAL 72 HA VAL 72 -1.382 1.667 4.115 568 HB VAL 72 HB VAL 72 -3.650 3.475 3.163 569 HG11 VAL 72 HG11 VAL 72 -3.176 4.896 5.147 570 HG12 VAL 72 HG12 VAL 72 -2.030 3.687 5.733 571 HG13 VAL 72 HG13 VAL 72 -3.746 3.291 5.615 572 HG21 VAL 72 HG21 VAL 72 -1.528 3.873 1.956 573 HG22 VAL 72 HG22 VAL 72 -0.674 4.060 3.488 574 HG23 VAL 72 HG23 VAL 72 -1.896 5.241 3.011 575 H ASP 73 HN ASP 73 -4.721 0.962 2.955 576 HA ASP 73 HA ASP 73 -5.933 0.332 5.431 577 HB2 ASP 73 HB2 ASP 73 -7.155 0.621 3.272 578 HB3 ASP 73 HB1 ASP 73 -6.510 -0.910 2.708 579 H LYS 74 HN LYS 74 -4.203 -1.674 3.156 580 HA LYS 74 HA LYS 74 -4.643 -4.204 4.455 581 HB2 LYS 74 HB2 LYS 74 -2.547 -3.478 2.369 582 HB3 LYS 74 HB1 LYS 74 -2.929 -5.117 2.892 583 HG2 LYS 74 HG2 LYS 74 -4.763 -3.210 1.411 584 HG3 LYS 74 HG1 LYS 74 -4.003 -4.658 0.759 585 HD2 LYS 74 HD2 LYS 74 -5.360 -6.069 2.256 586 HD3 LYS 74 HD1 LYS 74 -6.074 -4.634 2.993 587 HE2 LYS 74 HE2 LYS 74 -7.086 -4.028 0.812 588 HE3 LYS 74 HE1 LYS 74 -6.400 -5.488 0.100 589 HZ1 LYS 74 HZ1 LYS 74 -8.736 -5.707 0.766 590 HZ2 LYS 74 HZ2 LYS 74 -8.289 -5.467 2.378 591 HZ3 LYS 74 HZ3 LYS 74 -7.726 -6.821 1.537 592 H LYS 75 HN LYS 75 -2.029 -1.827 4.554 593 HA LYS 75 HA LYS 75 -0.192 -3.450 6.044 594 HB2 LYS 75 HB2 LYS 75 -0.209 -0.470 5.406 595 HB3 LYS 75 HB1 LYS 75 1.105 -1.284 6.260 596 HG2 LYS 75 HG2 LYS 75 1.522 -2.710 4.308 597 HG3 LYS 75 HG1 LYS 75 0.177 -1.951 3.448 598 HD2 LYS 75 HD2 LYS 75 1.391 0.234 3.558 599 HD3 LYS 75 HD1 LYS 75 2.740 -0.582 4.359 600 HE2 LYS 75 HE2 LYS 75 1.716 -1.146 1.552 601 HE3 LYS 75 HE1 LYS 75 3.199 -0.292 1.969 602 HZ1 LYS 75 HZ1 LYS 75 3.708 -2.529 1.386 603 HZ2 LYS 75 HZ2 LYS 75 2.597 -3.146 2.496 604 HZ3 LYS 75 HZ3 LYS 75 3.979 -2.339 3.045 605 H LEU 76 HN LEU 76 -2.527 -0.879 6.818 606 HA LEU 76 HA LEU 76 -1.974 -0.632 9.579 607 HB2 LEU 76 HB2 LEU 76 -4.625 -0.249 8.126 608 HB3 LEU 76 HB1 LEU 76 -4.360 0.170 9.813 609 HG LEU 76 HG LEU 76 -3.040 1.478 7.403 610 HD11 LEU 76 HD11 LEU 76 -4.282 3.489 8.060 611 HD12 LEU 76 HD12 LEU 76 -5.066 2.590 9.363 612 HD13 LEU 76 HD13 LEU 76 -5.366 2.150 7.680 613 HD21 LEU 76 HD21 LEU 76 -1.434 1.392 9.253 614 HD22 LEU 76 HD22 LEU 76 -2.618 2.139 10.333 615 HD23 LEU 76 HD23 LEU 76 -1.979 3.045 8.956 616 H ALA 77 HN ALA 77 -4.125 -2.803 7.763 617 HA ALA 77 HA ALA 77 -5.329 -4.215 9.878 618 HB1 ALA 77 HB1 ALA 77 -5.783 -5.987 8.221 619 HB2 ALA 77 HB2 ALA 77 -4.608 -5.268 7.114 620 HB3 ALA 77 HB3 ALA 77 -6.079 -4.388 7.532 621 H ARG 78 HN ARG 78 -2.221 -4.735 8.253 622 HA ARG 78 HA ARG 78 -1.458 -7.102 9.673 623 HB2 ARG 78 HB2 ARG 78 0.320 -5.055 8.274 624 HB3 ARG 78 HB1 ARG 78 0.830 -6.658 8.801 625 HG2 ARG 78 HG2 ARG 78 -1.144 -5.978 6.607 626 HG3 ARG 78 HG1 ARG 78 0.438 -6.745 6.435 627 HD2 ARG 78 HD2 ARG 78 -0.398 -8.721 7.676 628 HD3 ARG 78 HD1 ARG 78 -1.984 -7.952 7.830 629 HE ARG 78 HE ARG 78 -1.051 -8.215 5.109 630 HH11 ARG 78 HH11 ARG 78 -2.915 -9.746 7.668 631 HH12 ARG 78 HH12 ARG 78 -3.680 -10.864 6.591 632 HH21 ARG 78 HH21 ARG 78 -2.094 -9.643 3.725 633 HH22 ARG 78 HH22 ARG 78 -3.243 -10.785 4.343 634 H LYS 79 HN LYS 79 -1.200 -3.683 10.334 635 HA LYS 79 HA LYS 79 0.652 -3.971 12.565 636 HB2 LYS 79 HB2 LYS 79 -0.846 -1.568 11.447 637 HB3 LYS 79 HB1 LYS 79 0.322 -1.480 12.766 638 HG2 LYS 79 HG2 LYS 79 0.949 -2.431 9.949 639 HG3 LYS 79 HG1 LYS 79 1.253 -0.801 10.554 640 HD2 LYS 79 HD2 LYS 79 2.834 -1.687 12.208 641 HD3 LYS 79 HD1 LYS 79 2.494 -3.341 11.688 642 HE2 LYS 79 HE2 LYS 79 3.482 -2.902 9.503 643 HE3 LYS 79 HE1 LYS 79 3.686 -1.195 9.900 644 HZ1 LYS 79 HZ1 LYS 79 5.055 -3.464 11.225 645 HZ2 LYS 79 HZ2 LYS 79 5.224 -1.841 11.653 646 HZ3 LYS 79 HZ3 LYS 79 5.749 -2.374 10.137 647 H LEU 80 HN LEU 80 -2.797 -3.983 12.108 648 HA LEU 80 HA LEU 80 -3.495 -3.338 14.844 649 HB2 LEU 80 HB2 LEU 80 -5.033 -4.135 12.401 650 HB3 LEU 80 HB1 LEU 80 -5.742 -4.653 13.914 651 HG LEU 80 HG LEU 80 -6.803 -2.599 13.331 652 HD11 LEU 80 HD11 LEU 80 -6.310 -2.805 15.711 653 HD12 LEU 80 HD12 LEU 80 -6.315 -1.116 15.209 654 HD13 LEU 80 HD13 LEU 80 -4.781 -1.948 15.492 655 HD21 LEU 80 HD21 LEU 80 -5.640 -0.480 12.898 656 HD22 LEU 80 HD22 LEU 80 -5.222 -1.714 11.712 657 HD23 LEU 80 HD23 LEU 80 -4.082 -1.309 12.996 658 H GLU 81 HN GLU 81 -1.997 -5.963 13.488 659 HA GLU 81 HA GLU 81 -2.904 -8.139 15.042 660 HB2 GLU 81 HB2 GLU 81 -1.133 -7.934 13.022 661 HB3 GLU 81 HB1 GLU 81 0.032 -7.812 14.328 662 HG2 GLU 81 HG2 GLU 81 -1.885 -10.139 13.953 663 HG3 GLU 81 HG1 GLU 81 -0.247 -10.097 13.315 664 H HIS 82 HN HIS 82 -1.867 -9.024 16.957 665 HA HIS 82 HA HIS 82 -1.544 -7.246 19.121 666 HB2 HIS 82 HB2 HIS 82 -0.737 -10.185 18.981 667 HB3 HIS 82 HB1 HIS 82 -1.058 -9.265 20.445 668 HD1 HIS 82 HD1 HIS 82 -2.674 -11.424 18.014 669 HD2 HIS 82 HD2 HIS 82 -3.897 -8.438 20.643 670 HE1 HIS 82 HE1 HIS 82 -5.161 -11.701 18.235 671 HE2 HIS 82 HE2 HIS 82 -5.896 -9.784 19.690 672 H HIS 83 HN HIS 83 0.466 -7.770 20.706 673 HA HIS 83 HA HIS 83 2.610 -7.488 21.291 674 HB2 HIS 83 HB2 HIS 83 3.366 -9.135 19.647 675 HB3 HIS 83 HB1 HIS 83 3.333 -7.931 18.367 676 HD1 HIS 83 HD1 HIS 83 5.516 -6.829 17.899 677 HD2 HIS 83 HD2 HIS 83 5.414 -8.436 21.726 678 HE1 HIS 83 HE1 HIS 83 7.815 -6.467 18.832 679 HE2 HIS 83 HE2 HIS 83 7.744 -7.485 21.129 680 H HIS 84 HN HIS 84 3.804 -5.736 21.767 681 HA HIS 84 HA HIS 84 4.569 -3.652 21.938 682 HB2 HIS 84 HB2 HIS 84 5.739 -4.114 19.851 683 HB3 HIS 84 HB1 HIS 84 4.329 -3.647 18.909 684 HD1 HIS 84 HD1 HIS 84 4.140 -1.225 18.280 685 HD2 HIS 84 HD2 HIS 84 7.038 -1.874 21.181 686 HE1 HIS 84 HE1 HIS 84 5.303 0.981 18.580 687 HE2 HIS 84 HE2 HIS 84 6.971 0.595 20.414 688 H HIS 85 HN HIS 85 2.748 -3.042 23.139 689 HA HIS 85 HA HIS 85 0.658 -1.442 21.831 690 HB2 HIS 85 HB2 HIS 85 -0.430 -1.400 24.076 691 HB3 HIS 85 HB1 HIS 85 -0.149 -3.037 23.493 692 HD1 HIS 85 HD1 HIS 85 1.018 -0.601 26.122 693 HD2 HIS 85 HD2 HIS 85 1.580 -4.582 25.066 694 HE1 HIS 85 HE1 HIS 85 2.292 -1.632 28.026 695 HE2 HIS 85 HE2 HIS 85 2.777 -3.981 27.277 696 H HIS 86 HN HIS 86 0.380 0.737 22.180 697 HA HIS 86 HA HIS 86 2.638 2.294 23.120 698 HB2 HIS 86 HB2 HIS 86 -0.049 3.067 21.907 699 HB3 HIS 86 HB1 HIS 86 1.098 4.267 22.490 700 HD1 HIS 86 HD1 HIS 86 0.304 2.224 19.571 701 HD2 HIS 86 HD2 HIS 86 3.604 4.273 21.033 702 HE1 HIS 86 HE1 HIS 86 1.853 2.481 17.611 703 HE2 HIS 86 HE2 HIS 86 3.829 3.754 18.511 704 H HIS 87 HN HIS 87 2.871 2.975 25.153 705 HA HIS 87 HA HIS 87 0.881 2.540 27.181 706 HB2 HIS 87 HB2 HIS 87 2.550 3.429 28.781 707 HB3 HIS 87 HB1 HIS 87 3.251 2.211 27.732 708 HD1 HIS 87 HD1 HIS 87 3.553 5.758 28.728 709 HD2 HIS 87 HD2 HIS 87 5.144 3.229 25.845 710 HE1 HIS 87 HE1 HIS 87 5.549 6.972 27.807 711 HE2 HIS 87 HE2 HIS 87 6.339 5.520 25.913 712 H282 PNS 88 H282 PNS 88 6.668 11.686 -11.192 713 H281 PNS 88 H281 PNS 88 7.439 10.654 -12.404 714 H303 PNS 88 H303 PNS 88 5.218 9.088 -11.932 715 H302 PNS 88 H302 PNS 88 4.875 8.711 -10.240 716 H301 PNS 88 H301 PNS 88 4.821 10.383 -10.797 717 H313 PNS 88 H313 PNS 88 8.076 10.012 -8.818 718 H312 PNS 88 H312 PNS 88 6.475 10.763 -8.784 719 H311 PNS 88 H311 PNS 88 6.647 9.033 -8.489 720 H32 PNS 88 H32 PNS 88 7.460 8.018 -11.989 721 H33 PNS 88 H33 PNS 88 9.514 8.098 -10.181 722 H36 PNS 88 H36 PNS 88 5.514 7.057 -10.677 723 H372 PNS 88 H372 PNS 88 5.881 4.640 -9.698 724 H371 PNS 88 H371 PNS 88 6.142 5.613 -8.241 725 H382 PNS 88 H382 PNS 88 3.644 5.651 -9.971 726 H381 PNS 88 H381 PNS 88 3.807 4.845 -8.413 727 H41 PNS 88 H41 PNS 88 1.788 6.362 -8.305 728 H422 PNS 88 H422 PNS 88 2.427 8.473 -6.466 729 H421 PNS 88 H421 PNS 88 1.869 9.105 -8.016 730 H431 PNS 88 H431 PNS 88 0.319 7.136 -6.322 731 H432 PNS 88 H432 PNS 88 -0.221 7.919 -7.805 732 H44 PNS 88 H44 PNS 88 0.486 9.575 -4.901 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -11.086 0.614 3.149 2 H2 MET 1 HT2 MET 1 -10.136 1.010 4.487 3 H3 MET 1 HT3 MET 1 -10.171 2.032 3.142 4 HA MET 1 HA MET 1 -12.467 2.496 3.469 5 HB2 MET 1 HB2 MET 1 -12.236 0.842 6.017 6 HB3 MET 1 HB1 MET 1 -13.643 1.777 5.529 7 HG2 MET 1 HG2 MET 1 -14.079 -0.523 5.031 8 HG3 MET 1 HG1 MET 1 -13.835 0.316 3.497 9 HE1 MET 1 HE1 MET 1 -12.323 -2.216 6.114 10 HE2 MET 1 HE2 MET 1 -11.120 -0.924 6.161 11 HE3 MET 1 HE3 MET 1 -10.709 -2.492 5.463 12 HA PRO 2 HA PRO 2 -10.913 5.128 7.126 13 HB2 PRO 2 HB2 PRO 2 -9.117 4.370 8.941 14 HB3 PRO 2 HB1 PRO 2 -10.699 3.579 8.878 15 HG2 PRO 2 HG2 PRO 2 -8.047 2.588 7.861 16 HG3 PRO 2 HG1 PRO 2 -9.330 1.692 8.698 17 HD2 PRO 2 HD2 PRO 2 -8.939 1.797 5.890 18 HD3 PRO 2 HD1 PRO 2 -10.395 1.210 6.717 19 H THR 3 HN THR 3 -8.801 4.143 4.785 20 HA THR 3 HA THR 3 -6.357 5.365 5.596 21 HB THR 3 HB THR 3 -5.775 5.070 3.048 22 HG1 THR 3 HG1 THR 3 -7.364 3.081 2.553 23 HG21 THR 3 HG21 THR 3 -6.379 2.665 4.806 24 HG22 THR 3 HG22 THR 3 -4.902 3.633 4.841 25 HG23 THR 3 HG23 THR 3 -5.299 2.676 3.412 26 H LEU 4 HN LEU 4 -8.499 6.370 2.796 27 HA LEU 4 HA LEU 4 -7.054 8.677 2.177 28 HB2 LEU 4 HB2 LEU 4 -10.019 8.143 1.735 29 HB3 LEU 4 HB1 LEU 4 -9.133 9.463 0.983 30 HG LEU 4 HG LEU 4 -8.683 6.487 0.502 31 HD11 LEU 4 HD11 LEU 4 -9.431 6.948 -1.787 32 HD12 LEU 4 HD12 LEU 4 -9.738 8.638 -1.369 33 HD13 LEU 4 HD13 LEU 4 -10.688 7.350 -0.618 34 HD21 LEU 4 HD21 LEU 4 -7.024 7.172 -1.190 35 HD22 LEU 4 HD22 LEU 4 -6.536 7.645 0.436 36 HD23 LEU 4 HD23 LEU 4 -7.194 8.853 -0.675 37 H ASP 5 HN ASP 5 -9.754 8.287 4.403 38 HA ASP 5 HA ASP 5 -10.300 10.861 5.235 39 HB2 ASP 5 HB2 ASP 5 -11.574 8.887 5.976 40 HB3 ASP 5 HB1 ASP 5 -10.195 8.308 6.902 41 H ALA 6 HN ALA 6 -7.826 8.664 6.516 42 HA ALA 6 HA ALA 6 -6.733 10.616 8.372 43 HB1 ALA 6 HB1 ALA 6 -5.808 7.797 7.695 44 HB2 ALA 6 HB2 ALA 6 -6.905 8.240 9.002 45 HB3 ALA 6 HB3 ALA 6 -5.226 8.779 9.047 46 H LEU 7 HN LEU 7 -6.093 9.594 5.104 47 HA LEU 7 HA LEU 7 -3.284 10.287 5.057 48 HB2 LEU 7 HB2 LEU 7 -5.203 9.514 2.827 49 HB3 LEU 7 HB1 LEU 7 -3.517 9.904 2.544 50 HG LEU 7 HG LEU 7 -4.527 7.542 4.183 51 HD11 LEU 7 HD11 LEU 7 -4.938 7.242 1.782 52 HD12 LEU 7 HD12 LEU 7 -3.693 6.133 2.352 53 HD13 LEU 7 HD13 LEU 7 -3.239 7.570 1.428 54 HD21 LEU 7 HD21 LEU 7 -2.397 8.354 5.063 55 HD22 LEU 7 HD22 LEU 7 -1.678 8.288 3.450 56 HD23 LEU 7 HD23 LEU 7 -2.187 6.800 4.258 57 H THR 8 HN THR 8 -6.354 11.844 4.161 58 HA THR 8 HA THR 8 -5.417 13.863 2.487 59 HB THR 8 HB THR 8 -7.822 13.984 4.353 60 HG1 THR 8 HG1 THR 8 -8.512 12.567 2.947 61 HG21 THR 8 HG21 THR 8 -8.724 15.720 2.848 62 HG22 THR 8 HG22 THR 8 -7.228 15.703 1.912 63 HG23 THR 8 HG23 THR 8 -7.219 16.271 3.585 64 HA PRO 9 HA PRO 9 -4.565 16.671 6.614 65 HB2 PRO 9 HB2 PRO 9 -3.804 14.239 8.258 66 HB3 PRO 9 HB1 PRO 9 -4.399 15.818 8.801 67 HG2 PRO 9 HG2 PRO 9 -6.051 13.746 8.719 68 HG3 PRO 9 HG1 PRO 9 -6.612 15.343 8.169 69 HD2 PRO 9 HD2 PRO 9 -5.811 12.944 6.535 70 HD3 PRO 9 HD1 PRO 9 -7.098 14.133 6.238 71 H ILE 10 HN ILE 10 -2.939 13.576 5.892 72 HA ILE 10 HA ILE 10 -0.288 14.403 6.549 73 HB ILE 10 HB ILE 10 -1.052 12.131 4.654 74 HG12 ILE 10 HG12 ILE 10 -2.195 11.811 6.826 75 HG13 ILE 10 HG11 ILE 10 -0.935 10.603 6.611 76 HG21 ILE 10 HG21 ILE 10 1.314 12.706 4.473 77 HG22 ILE 10 HG22 ILE 10 1.156 11.168 5.318 78 HG23 ILE 10 HG23 ILE 10 1.506 12.634 6.229 79 HD11 ILE 10 HD11 ILE 10 -0.764 13.069 8.345 80 HD12 ILE 10 HD12 ILE 10 0.513 11.865 8.135 81 HD13 ILE 10 HD13 ILE 10 -1.013 11.410 8.888 82 H PHE 11 HN PHE 11 -2.014 14.045 3.429 83 HA PHE 11 HA PHE 11 0.119 14.833 1.740 84 HB2 PHE 11 HB2 PHE 11 -2.884 14.644 1.321 85 HB3 PHE 11 HB1 PHE 11 -1.833 15.264 0.058 86 HD1 PHE 11 HD2 PHE 11 -1.975 12.262 2.347 87 HD2 PHE 11 HD1 PHE 11 -1.217 13.739 -1.591 88 HE1 PHE 11 HE2 PHE 11 -1.624 9.959 1.550 89 HE2 PHE 11 HE1 PHE 11 -0.863 11.437 -2.373 90 HZ PHE 11 HZ PHE 11 -1.064 9.550 -0.813 91 H ARG 12 HN ARG 12 -2.559 16.666 3.249 92 HA ARG 12 HA ARG 12 -2.107 19.142 2.006 93 HB2 ARG 12 HB2 ARG 12 -3.232 18.510 4.762 94 HB3 ARG 12 HB1 ARG 12 -3.207 20.138 4.083 95 HG2 ARG 12 HG2 ARG 12 -4.633 19.388 2.209 96 HG3 ARG 12 HG1 ARG 12 -4.653 17.755 2.880 97 HD2 ARG 12 HD2 ARG 12 -5.738 18.661 4.943 98 HD3 ARG 12 HD1 ARG 12 -5.812 20.252 4.169 99 HE ARG 12 HE ARG 12 -7.005 18.110 2.648 100 HH11 ARG 12 HH11 ARG 12 -7.665 20.614 5.015 101 HH12 ARG 12 HH12 ARG 12 -9.375 20.591 4.722 102 HH21 ARG 12 HH21 ARG 12 -9.214 18.080 2.299 103 HH22 ARG 12 HH22 ARG 12 -10.252 19.144 3.190 104 H GLN 13 HN GLN 13 -0.600 17.729 4.922 105 HA GLN 13 HA GLN 13 0.814 20.134 5.606 106 HB2 GLN 13 HB2 GLN 13 1.160 17.290 6.638 107 HB3 GLN 13 HB1 GLN 13 1.972 18.702 7.314 108 HG2 GLN 13 HG2 GLN 13 -1.021 18.197 7.261 109 HG3 GLN 13 HG1 GLN 13 0.029 18.086 8.671 110 HE21 GLN 13 HE21 GLN 13 -2.362 19.762 8.144 111 HE22 GLN 13 HE22 GLN 13 -1.861 21.397 8.401 112 H VAL 14 HN VAL 14 1.826 16.997 4.198 113 HA VAL 14 HA VAL 14 4.528 17.409 3.771 114 HB VAL 14 HB VAL 14 2.529 15.877 2.046 115 HG11 VAL 14 HG11 VAL 14 4.456 14.668 1.038 116 HG12 VAL 14 HG12 VAL 14 5.572 15.752 1.876 117 HG13 VAL 14 HG13 VAL 14 4.485 16.387 0.638 118 HG21 VAL 14 HG21 VAL 14 3.433 13.880 3.193 119 HG22 VAL 14 HG22 VAL 14 2.759 15.030 4.349 120 HG23 VAL 14 HG23 VAL 14 4.507 14.912 4.144 121 H PHE 15 HN PHE 15 1.883 18.110 1.493 122 HA PHE 15 HA PHE 15 3.645 19.448 -0.390 123 HB2 PHE 15 HB2 PHE 15 0.638 18.930 -0.418 124 HB3 PHE 15 HB1 PHE 15 1.506 19.732 -1.724 125 HD1 PHE 15 HD2 PHE 15 1.020 16.485 0.010 126 HD2 PHE 15 HD1 PHE 15 2.904 18.470 -3.267 127 HE1 PHE 15 HE2 PHE 15 1.546 14.314 -0.989 128 HE2 PHE 15 HE1 PHE 15 3.430 16.289 -4.252 129 HZ PHE 15 HZ PHE 15 2.758 14.214 -3.126 130 H ASP 16 HN ASP 16 2.110 20.403 2.430 131 HA ASP 16 HA ASP 16 1.936 22.369 3.528 132 HB2 ASP 16 HB2 ASP 16 4.156 22.856 2.382 133 HB3 ASP 16 HB1 ASP 16 3.268 23.697 1.122 134 H ASP 17 HN ASP 17 0.046 21.428 1.283 135 HA ASP 17 HA ASP 17 -1.165 23.905 0.284 136 HB2 ASP 17 HB2 ASP 17 -0.433 22.052 -1.288 137 HB3 ASP 17 HB1 ASP 17 -1.653 21.011 -0.567 138 H ASP 18 HN ASP 18 -3.592 23.790 0.026 139 HA ASP 18 HA ASP 18 -4.860 23.009 2.605 140 HB2 ASP 18 HB2 ASP 18 -4.667 25.437 2.425 141 HB3 ASP 18 HB1 ASP 18 -5.311 25.421 0.789 142 H SER 19 HN SER 19 -5.168 23.167 -0.891 143 HA SER 19 HA SER 19 -8.022 22.635 -0.916 144 HB2 SER 19 HB2 SER 19 -6.074 23.048 -3.225 145 HB3 SER 19 HB1 SER 19 -7.833 22.982 -3.364 146 HG SER 19 HG SER 19 -6.188 24.997 -2.380 147 H ILE 20 HN ILE 20 -5.289 20.655 -0.780 148 HA ILE 20 HA ILE 20 -6.066 18.492 -2.452 149 HB ILE 20 HB ILE 20 -4.306 18.488 0.043 150 HG12 ILE 20 HG12 ILE 20 -3.578 18.442 -2.923 151 HG13 ILE 20 HG11 ILE 20 -3.355 19.802 -1.830 152 HG21 ILE 20 HG21 ILE 20 -3.499 16.249 -0.674 153 HG22 ILE 20 HG22 ILE 20 -4.709 16.228 -1.957 154 HG23 ILE 20 HG23 ILE 20 -5.215 16.227 -0.266 155 HD11 ILE 20 HD11 ILE 20 -1.921 17.145 -1.690 156 HD12 ILE 20 HD12 ILE 20 -1.699 18.489 -0.565 157 HD13 ILE 20 HD13 ILE 20 -1.260 18.677 -2.263 158 H VAL 21 HN VAL 21 -8.014 17.588 -2.257 159 HA VAL 21 HA VAL 21 -8.803 16.373 0.325 160 HB VAL 21 HB VAL 21 -10.789 17.403 -1.767 161 HG11 VAL 21 HG11 VAL 21 -11.253 16.259 1.014 162 HG12 VAL 21 HG12 VAL 21 -11.606 15.446 -0.513 163 HG13 VAL 21 HG13 VAL 21 -12.506 16.894 -0.057 164 HG21 VAL 21 HG21 VAL 21 -11.437 19.161 -0.142 165 HG22 VAL 21 HG22 VAL 21 -9.763 19.344 -0.672 166 HG23 VAL 21 HG23 VAL 21 -10.111 18.664 0.918 167 H LEU 22 HN LEU 22 -8.157 14.346 -0.063 168 HA LEU 22 HA LEU 22 -7.391 13.376 -2.564 169 HB2 LEU 22 HB2 LEU 22 -7.892 11.857 0.016 170 HB3 LEU 22 HB1 LEU 22 -7.069 11.181 -1.384 171 HG LEU 22 HG LEU 22 -6.089 13.551 0.254 172 HD11 LEU 22 HD11 LEU 22 -4.320 12.044 1.002 173 HD12 LEU 22 HD12 LEU 22 -5.043 10.713 0.101 174 HD13 LEU 22 HD13 LEU 22 -5.907 11.434 1.461 175 HD21 LEU 22 HD21 LEU 22 -5.422 13.802 -2.092 176 HD22 LEU 22 HD22 LEU 22 -4.779 12.157 -2.112 177 HD23 LEU 22 HD23 LEU 22 -4.026 13.389 -1.098 178 H THR 23 HN THR 23 -8.130 11.925 -3.987 179 HA THR 23 HA THR 23 -10.554 10.345 -3.476 180 HB THR 23 HB THR 23 -11.230 10.631 -5.910 181 HG1 THR 23 HG1 THR 23 -9.317 12.735 -5.782 182 HG21 THR 23 HG21 THR 23 -12.372 12.800 -5.655 183 HG22 THR 23 HG22 THR 23 -11.333 13.196 -4.283 184 HG23 THR 23 HG23 THR 23 -12.477 11.856 -4.165 185 H ARG 24 HN ARG 24 -10.646 8.546 -5.151 186 HA ARG 24 HA ARG 24 -8.365 6.964 -4.997 187 HB2 ARG 24 HB2 ARG 24 -10.761 6.724 -6.861 188 HB3 ARG 24 HB1 ARG 24 -9.545 5.462 -6.651 189 HG2 ARG 24 HG2 ARG 24 -10.160 5.179 -4.311 190 HG3 ARG 24 HG1 ARG 24 -11.281 6.539 -4.399 191 HD2 ARG 24 HD2 ARG 24 -12.674 5.294 -6.006 192 HD3 ARG 24 HD1 ARG 24 -11.536 3.940 -5.957 193 HE ARG 24 HE ARG 24 -13.120 4.863 -3.615 194 HH11 ARG 24 HH11 ARG 24 -11.734 2.241 -5.503 195 HH12 ARG 24 HH12 ARG 24 -12.383 1.007 -4.472 196 HH21 ARG 24 HH21 ARG 24 -13.947 3.241 -2.267 197 HH22 ARG 24 HH22 ARG 24 -13.628 1.577 -2.635 198 H GLU 25 HN GLU 25 -9.368 9.166 -7.612 199 HA GLU 25 HA GLU 25 -7.383 8.004 -9.455 200 HB2 GLU 25 HB2 GLU 25 -9.599 10.040 -9.944 201 HB3 GLU 25 HB1 GLU 25 -8.584 9.310 -11.189 202 HG2 GLU 25 HG2 GLU 25 -9.526 7.108 -10.727 203 HG3 GLU 25 HG1 GLU 25 -10.446 7.741 -9.364 204 H THR 26 HN THR 26 -7.349 10.466 -7.165 205 HA THR 26 HA THR 26 -5.949 12.556 -8.409 206 HB THR 26 HB THR 26 -5.535 11.582 -5.540 207 HG1 THR 26 HG1 THR 26 -7.517 13.315 -6.632 208 HG21 THR 26 HG21 THR 26 -5.228 14.374 -6.731 209 HG22 THR 26 HG22 THR 26 -3.897 13.319 -6.236 210 HG23 THR 26 HG23 THR 26 -5.028 13.943 -5.033 211 H SER 27 HN SER 27 -4.386 11.807 -9.856 212 HA SER 27 HA SER 27 -2.129 10.162 -8.938 213 HB2 SER 27 HB2 SER 27 -2.629 11.354 -11.710 214 HB3 SER 27 HB1 SER 27 -1.496 10.062 -11.295 215 HG SER 27 HG SER 27 -4.305 9.853 -10.895 216 H ALA 28 HN ALA 28 0.135 10.959 -9.490 217 HA ALA 28 HA ALA 28 0.727 13.626 -8.746 218 HB1 ALA 28 HB1 ALA 28 2.337 11.798 -8.485 219 HB2 ALA 28 HB2 ALA 28 3.033 13.118 -9.427 220 HB3 ALA 28 HB3 ALA 28 2.476 11.650 -10.237 221 H ASN 29 HN ASN 29 -0.410 12.384 -11.692 222 HA ASN 29 HA ASN 29 0.488 14.517 -13.421 223 HB2 ASN 29 HB2 ASN 29 -0.040 12.227 -14.269 224 HB3 ASN 29 HB1 ASN 29 -1.719 12.446 -13.797 225 HD21 ASN 29 HD21 ASN 29 0.316 14.917 -15.341 226 HD22 ASN 29 HD22 ASN 29 -0.575 14.974 -16.817 227 H ASP 30 HN ASP 30 -2.173 13.985 -11.203 228 HA ASP 30 HA ASP 30 -3.817 16.177 -12.184 229 HB2 ASP 30 HB2 ASP 30 -4.097 14.393 -9.719 230 HB3 ASP 30 HB1 ASP 30 -5.254 15.649 -10.172 231 H ILE 31 HN ILE 31 -1.158 15.870 -10.026 232 HA ILE 31 HA ILE 31 -1.669 18.560 -8.873 233 HB ILE 31 HB ILE 31 -0.248 16.234 -7.469 234 HG12 ILE 31 HG12 ILE 31 -2.941 17.541 -6.840 235 HG13 ILE 31 HG11 ILE 31 -2.703 15.902 -7.435 236 HG21 ILE 31 HG21 ILE 31 -0.772 19.056 -6.447 237 HG22 ILE 31 HG22 ILE 31 0.800 18.391 -6.896 238 HG23 ILE 31 HG23 ILE 31 -0.067 17.736 -5.510 239 HD11 ILE 31 HD11 ILE 31 -3.212 15.875 -5.079 240 HD12 ILE 31 HD12 ILE 31 -1.880 16.971 -4.734 241 HD13 ILE 31 HD13 ILE 31 -1.548 15.338 -5.316 242 H ASP 32 HN ASP 32 -0.218 19.965 -9.722 243 HA ASP 32 HA ASP 32 2.072 19.045 -11.214 244 HB2 ASP 32 HB2 ASP 32 2.496 21.377 -11.802 245 HB3 ASP 32 HB1 ASP 32 0.785 21.014 -11.997 246 H ALA 33 HN ALA 33 1.563 20.405 -8.032 247 HA ALA 33 HA ALA 33 4.242 21.001 -7.311 248 HB1 ALA 33 HB1 ALA 33 1.914 20.191 -5.528 249 HB2 ALA 33 HB2 ALA 33 2.301 21.834 -6.039 250 HB3 ALA 33 HB3 ALA 33 3.412 20.959 -4.984 251 H TRP 34 HN TRP 34 2.461 18.010 -7.518 252 HA TRP 34 HA TRP 34 4.221 16.411 -5.910 253 HB2 TRP 34 HB2 TRP 34 1.675 16.023 -6.605 254 HB3 TRP 34 HB1 TRP 34 2.367 15.259 -8.026 255 HD1 TRP 34 HD1 TRP 34 4.814 14.027 -5.885 256 HE1 TRP 34 HE1 TRP 34 4.158 11.883 -4.636 257 HE3 TRP 34 HE3 TRP 34 -0.259 14.204 -6.545 258 HZ2 TRP 34 HZ2 TRP 34 1.835 10.440 -4.026 259 HZ3 TRP 34 HZ3 TRP 34 -1.629 12.380 -5.615 260 HH2 TRP 34 HH2 TRP 34 -0.594 10.537 -4.382 261 H ASP 35 HN ASP 35 6.216 16.022 -6.543 262 HA ASP 35 HA ASP 35 6.835 15.058 -9.260 263 HB2 ASP 35 HB2 ASP 35 8.399 17.104 -7.614 264 HB3 ASP 35 HB1 ASP 35 9.162 16.163 -8.887 265 H SER 36 HN SER 36 9.156 13.879 -9.073 266 HA SER 36 HA SER 36 8.953 11.620 -7.522 267 HB2 SER 36 HB2 SER 36 11.666 12.802 -8.243 268 HB3 SER 36 HB1 SER 36 11.203 11.098 -8.206 269 H LEU 37 HN LEU 37 10.541 14.614 -6.751 270 HA LEU 37 HA LEU 37 11.780 13.909 -4.309 271 HB2 LEU 37 HB2 LEU 37 10.942 16.624 -5.394 272 HB3 LEU 37 HB1 LEU 37 11.895 16.416 -3.939 273 HG LEU 37 HG LEU 37 13.414 17.035 -5.656 274 HD11 LEU 37 HD11 LEU 37 13.694 14.046 -5.288 275 HD12 LEU 37 HD12 LEU 37 14.282 15.302 -4.195 276 HD13 LEU 37 HD13 LEU 37 14.965 15.157 -5.813 277 HD21 LEU 37 HD21 LEU 37 13.661 15.918 -7.821 278 HD22 LEU 37 HD22 LEU 37 12.044 16.587 -7.629 279 HD23 LEU 37 HD23 LEU 37 12.303 14.852 -7.445 280 H SER 38 HN SER 38 8.613 15.322 -5.052 281 HA SER 38 HA SER 38 7.752 15.738 -2.365 282 HB2 SER 38 HB2 SER 38 6.019 15.395 -4.841 283 HB3 SER 38 HB1 SER 38 5.589 16.235 -3.346 284 HG SER 38 HG SER 38 6.820 17.906 -3.916 285 H HIS 39 HN HIS 39 7.494 13.019 -4.625 286 HA HIS 39 HA HIS 39 5.793 11.304 -3.190 287 HB2 HIS 39 HB2 HIS 39 8.112 10.683 -5.058 288 HB3 HIS 39 HB1 HIS 39 7.158 9.404 -4.316 289 HD2 HIS 39 HD2 HIS 39 6.962 11.904 -7.225 290 HE1 HIS 39 HE1 HIS 39 3.368 9.728 -7.063 291 HE2 HIS 39 HE2 HIS 39 4.654 11.504 -8.306 292 H MET 40 HN MET 40 9.315 11.750 -2.982 293 HA MET 40 HA MET 40 9.871 9.771 -1.061 294 HB2 MET 40 HB2 MET 40 11.326 12.374 -1.689 295 HB3 MET 40 HB1 MET 40 11.965 11.137 -0.607 296 HG2 MET 40 HG2 MET 40 11.369 10.783 -3.556 297 HG3 MET 40 HG1 MET 40 12.965 10.951 -2.824 298 HE1 MET 40 HE1 MET 40 12.523 9.090 -0.114 299 HE2 MET 40 HE2 MET 40 13.989 9.123 -1.095 300 HE3 MET 40 HE3 MET 40 13.209 7.586 -0.730 301 H ASN 41 HN ASN 41 9.132 13.225 -0.688 302 HA ASN 41 HA ASN 41 9.262 13.440 2.125 303 HB2 ASN 41 HB2 ASN 41 7.639 15.020 0.079 304 HB3 ASN 41 HB1 ASN 41 7.758 15.471 1.778 305 HD21 ASN 41 HD21 ASN 41 8.685 17.458 1.206 306 HD22 ASN 41 HD22 ASN 41 10.324 17.585 0.671 307 H LEU 42 HN LEU 42 6.540 12.671 -0.024 308 HA LEU 42 HA LEU 42 4.502 12.630 1.936 309 HB2 LEU 42 HB2 LEU 42 4.198 12.934 -0.547 310 HB3 LEU 42 HB1 LEU 42 4.569 11.239 -0.779 311 HG LEU 42 HG LEU 42 2.095 11.973 -0.881 312 HD11 LEU 42 HD11 LEU 42 2.699 9.620 -0.798 313 HD12 LEU 42 HD12 LEU 42 1.237 9.925 0.136 314 HD13 LEU 42 HD13 LEU 42 2.775 9.677 0.964 315 HD21 LEU 42 HD21 LEU 42 2.092 13.429 1.084 316 HD22 LEU 42 HD22 LEU 42 2.380 12.038 2.134 317 HD23 LEU 42 HD23 LEU 42 0.876 12.163 1.219 318 H ILE 43 HN ILE 43 6.499 10.068 0.541 319 HA ILE 43 HA ILE 43 5.119 7.908 1.788 320 HB ILE 43 HB ILE 43 7.559 8.167 0.061 321 HG12 ILE 43 HG12 ILE 43 6.487 6.309 -1.199 322 HG13 ILE 43 HG11 ILE 43 5.260 6.154 0.049 323 HG21 ILE 43 HG21 ILE 43 8.283 5.826 0.415 324 HG22 ILE 43 HG22 ILE 43 7.189 5.713 1.796 325 HG23 ILE 43 HG23 ILE 43 8.547 6.840 1.837 326 HD11 ILE 43 HD11 ILE 43 4.404 7.271 -1.908 327 HD12 ILE 43 HD12 ILE 43 5.651 8.511 -1.787 328 HD13 ILE 43 HD13 ILE 43 4.414 8.376 -0.535 329 H VAL 44 HN VAL 44 8.201 9.641 2.599 330 HA VAL 44 HA VAL 44 8.817 8.010 4.833 331 HB VAL 44 HB VAL 44 10.357 9.744 5.598 332 HG11 VAL 44 HG11 VAL 44 11.124 8.215 3.841 333 HG12 VAL 44 HG12 VAL 44 11.864 9.804 3.637 334 HG13 VAL 44 HG13 VAL 44 10.523 9.310 2.596 335 HG21 VAL 44 HG21 VAL 44 9.043 11.772 5.117 336 HG22 VAL 44 HG22 VAL 44 9.259 11.519 3.386 337 HG23 VAL 44 HG23 VAL 44 10.656 11.889 4.399 338 H SER 45 HN SER 45 6.728 10.807 4.492 339 HA SER 45 HA SER 45 6.088 11.214 7.218 340 HB2 SER 45 HB2 SER 45 4.400 11.652 4.727 341 HB3 SER 45 HB1 SER 45 3.963 12.231 6.335 342 HG SER 45 HG SER 45 5.718 13.269 4.547 343 H LEU 46 HN LEU 46 4.688 8.970 4.786 344 HA LEU 46 HA LEU 46 2.643 7.952 6.516 345 HB2 LEU 46 HB2 LEU 46 3.860 6.612 4.067 346 HB3 LEU 46 HB1 LEU 46 2.350 6.161 4.853 347 HG LEU 46 HG LEU 46 2.908 8.709 3.278 348 HD11 LEU 46 HD11 LEU 46 0.977 6.432 2.718 349 HD12 LEU 46 HD12 LEU 46 2.505 6.741 1.884 350 HD13 LEU 46 HD13 LEU 46 1.181 7.896 1.747 351 HD21 LEU 46 HD21 LEU 46 0.560 9.343 3.687 352 HD22 LEU 46 HD22 LEU 46 1.500 9.302 5.176 353 HD23 LEU 46 HD23 LEU 46 0.382 7.984 4.802 354 H GLU 47 HN GLU 47 5.984 7.081 5.864 355 HA GLU 47 HA GLU 47 6.206 4.549 7.043 356 HB2 GLU 47 HB2 GLU 47 8.257 6.809 6.956 357 HB3 GLU 47 HB1 GLU 47 8.637 5.142 7.374 358 HG2 GLU 47 HG2 GLU 47 7.509 5.987 4.697 359 HG3 GLU 47 HG1 GLU 47 9.229 5.884 5.028 360 H VAL 48 HN VAL 48 6.914 7.738 8.482 361 HA VAL 48 HA VAL 48 7.333 6.673 11.094 362 HB VAL 48 HB VAL 48 7.571 9.050 11.814 363 HG11 VAL 48 HG11 VAL 48 9.605 9.526 10.488 364 HG12 VAL 48 HG12 VAL 48 9.118 8.314 9.300 365 HG13 VAL 48 HG13 VAL 48 9.518 7.822 10.949 366 HG21 VAL 48 HG21 VAL 48 7.524 10.868 10.134 367 HG22 VAL 48 HG22 VAL 48 5.936 10.128 10.315 368 HG23 VAL 48 HG23 VAL 48 6.930 9.735 8.912 369 H HIS 49 HN HIS 49 4.573 8.418 9.619 370 HA HIS 49 HA HIS 49 3.156 8.843 12.050 371 HB2 HIS 49 HB2 HIS 49 2.338 8.987 9.132 372 HB3 HIS 49 HB1 HIS 49 1.119 9.120 10.392 373 HD1 HIS 49 HD1 HIS 49 0.689 11.418 11.236 374 HD2 HIS 49 HD2 HIS 49 4.435 11.101 9.451 375 HE1 HIS 49 HE1 HIS 49 1.641 13.750 11.232 376 HE2 HIS 49 HE2 HIS 49 3.898 13.540 10.124 377 H TYR 50 HN TYR 50 2.724 6.353 9.504 378 HA TYR 50 HA TYR 50 0.741 4.942 11.151 379 HB2 TYR 50 HB2 TYR 50 1.631 4.468 8.278 380 HB3 TYR 50 HB1 TYR 50 0.330 3.600 9.090 381 HD1 TYR 50 HD1 TYR 50 -1.839 4.712 9.550 382 HD2 TYR 50 HD2 TYR 50 1.307 6.811 7.555 383 HE1 TYR 50 HE1 TYR 50 -3.426 6.477 8.909 384 HE2 TYR 50 HE2 TYR 50 -0.285 8.568 6.911 385 HH TYR 50 HH TYR 50 -2.702 8.857 6.603 386 H LYS 51 HN LYS 51 4.033 4.900 10.860 387 HA LYS 51 HA LYS 51 5.718 3.568 11.534 388 HB2 LYS 51 HB2 LYS 51 3.539 1.843 12.795 389 HB3 LYS 51 HB1 LYS 51 5.257 1.569 13.022 390 HG2 LYS 51 HG2 LYS 51 4.516 2.667 14.983 391 HG3 LYS 51 HG1 LYS 51 5.386 3.895 14.058 392 HD2 LYS 51 HD2 LYS 51 3.259 4.837 13.271 393 HD3 LYS 51 HD1 LYS 51 2.362 3.560 14.097 394 HE2 LYS 51 HE2 LYS 51 3.076 4.419 16.267 395 HE3 LYS 51 HE1 LYS 51 4.090 5.634 15.481 396 HZ1 LYS 51 HZ1 LYS 51 1.136 5.457 15.238 397 HZ2 LYS 51 HZ2 LYS 51 2.125 6.638 14.533 398 HZ3 LYS 51 HZ3 LYS 51 1.976 6.554 16.219 399 H ILE 52 HN ILE 52 4.593 3.204 8.869 400 HA ILE 52 HA ILE 52 4.605 0.271 8.416 401 HB ILE 52 HB ILE 52 3.315 0.683 6.370 402 HG12 ILE 52 HG12 ILE 52 3.413 3.647 7.129 403 HG13 ILE 52 HG11 ILE 52 4.214 2.916 5.739 404 HG21 ILE 52 HG21 ILE 52 2.116 2.046 8.805 405 HG22 ILE 52 HG22 ILE 52 2.080 0.319 8.447 406 HG23 ILE 52 HG23 ILE 52 1.201 1.449 7.421 407 HD11 ILE 52 HD11 ILE 52 2.224 4.097 5.064 408 HD12 ILE 52 HD12 ILE 52 1.234 3.152 6.174 409 HD13 ILE 52 HD13 ILE 52 2.005 2.369 4.790 410 H LYS 53 HN LYS 53 5.206 -0.095 5.885 411 HA LYS 53 HA LYS 53 7.656 1.335 5.174 412 HB2 LYS 53 HB2 LYS 53 8.198 -0.499 6.901 413 HB3 LYS 53 HB1 LYS 53 7.718 -1.679 5.696 414 HG2 LYS 53 HG2 LYS 53 9.956 0.320 5.222 415 HG3 LYS 53 HG1 LYS 53 10.230 -1.224 6.026 416 HD2 LYS 53 HD2 LYS 53 9.199 -0.855 3.181 417 HD3 LYS 53 HD1 LYS 53 10.840 -1.312 3.635 418 HE2 LYS 53 HE2 LYS 53 8.325 -2.943 4.137 419 HE3 LYS 53 HE1 LYS 53 9.564 -3.279 2.926 420 HZ1 LYS 53 HZ1 LYS 53 9.838 -4.657 4.883 421 HZ2 LYS 53 HZ2 LYS 53 9.975 -3.291 5.865 422 HZ3 LYS 53 HZ3 LYS 53 11.160 -3.619 4.707 423 H PHE 54 HN PHE 54 7.301 1.768 3.092 424 HA PHE 54 HA PHE 54 6.103 -0.180 1.233 425 HB2 PHE 54 HB2 PHE 54 7.087 2.658 0.650 426 HB3 PHE 54 HB1 PHE 54 6.174 1.630 -0.446 427 HD1 PHE 54 HD2 PHE 54 3.769 0.990 0.210 428 HD2 PHE 54 HD1 PHE 54 5.968 4.116 2.138 429 HE1 PHE 54 HE2 PHE 54 1.662 1.994 1.012 430 HE2 PHE 54 HE1 PHE 54 3.861 5.099 2.926 431 HZ PHE 54 HZ PHE 54 1.712 4.049 2.363 432 H ALA 55 HN ALA 55 7.304 -1.126 -0.431 433 HA ALA 55 HA ALA 55 10.217 -0.710 -0.530 434 HB1 ALA 55 HB1 ALA 55 8.438 -2.708 -1.981 435 HB2 ALA 55 HB2 ALA 55 9.376 -3.026 -0.520 436 HB3 ALA 55 HB3 ALA 55 10.203 -2.666 -2.035 437 H LEU 56 HN LEU 56 11.250 -0.129 -2.620 438 HA LEU 56 HA LEU 56 9.976 1.859 -4.134 439 HB2 LEU 56 HB2 LEU 56 12.573 0.927 -3.926 440 HB3 LEU 56 HB1 LEU 56 12.171 0.388 -5.540 441 HG LEU 56 HG LEU 56 12.085 3.272 -4.549 442 HD11 LEU 56 HD11 LEU 56 14.043 1.952 -6.448 443 HD12 LEU 56 HD12 LEU 56 14.376 2.442 -4.785 444 HD13 LEU 56 HD13 LEU 56 14.015 3.662 -6.005 445 HD21 LEU 56 HD21 LEU 56 11.568 2.239 -7.359 446 HD22 LEU 56 HD22 LEU 56 11.677 3.938 -6.884 447 HD23 LEU 56 HD23 LEU 56 10.369 2.935 -6.265 448 H GLY 57 HN GLY 57 10.193 -1.634 -4.623 449 HA2 GLY 57 HA2 GLY 57 8.945 -1.931 -7.121 450 HA3 GLY 57 HA1 GLY 57 8.884 -3.095 -5.806 451 H GLU 58 HN GLU 58 7.516 -1.432 -3.891 452 HA GLU 58 HA GLU 58 4.776 -1.732 -4.713 453 HB2 GLU 58 HB2 GLU 58 5.913 -0.324 -2.259 454 HB3 GLU 58 HB1 GLU 58 4.204 -0.694 -2.517 455 HG2 GLU 58 HG2 GLU 58 6.468 -2.693 -2.187 456 HG3 GLU 58 HG1 GLU 58 5.235 -2.299 -0.992 457 H LEU 59 HN LEU 59 7.040 0.970 -4.545 458 HA LEU 59 HA LEU 59 5.170 3.090 -4.889 459 HB2 LEU 59 HB2 LEU 59 8.116 3.084 -5.623 460 HB3 LEU 59 HB1 LEU 59 7.108 4.508 -5.402 461 HG LEU 59 HG LEU 59 8.009 2.555 -3.245 462 HD11 LEU 59 HD11 LEU 59 8.687 5.479 -3.654 463 HD12 LEU 59 HD12 LEU 59 9.755 4.100 -3.943 464 HD13 LEU 59 HD13 LEU 59 9.214 4.464 -2.306 465 HD21 LEU 59 HD21 LEU 59 6.850 3.992 -1.615 466 HD22 LEU 59 HD22 LEU 59 5.725 3.247 -2.746 467 HD23 LEU 59 HD23 LEU 59 6.166 4.948 -2.935 468 H GLN 60 HN GLN 60 6.981 1.058 -7.145 469 HA GLN 60 HA GLN 60 6.262 2.178 -9.600 470 HB2 GLN 60 HB2 GLN 60 6.442 -0.803 -8.993 471 HB3 GLN 60 HB1 GLN 60 6.570 -0.064 -10.585 472 HG2 GLN 60 HG2 GLN 60 8.538 0.208 -8.304 473 HG3 GLN 60 HG1 GLN 60 8.757 -0.743 -9.768 474 HE21 GLN 60 HE21 GLN 60 10.444 1.346 -8.718 475 HE22 GLN 60 HE22 GLN 60 10.533 2.575 -9.931 476 H LYS 61 HN LYS 61 4.363 0.213 -7.389 477 HA LYS 61 HA LYS 61 2.172 -0.183 -9.289 478 HB2 LYS 61 HB2 LYS 61 2.448 -1.049 -6.380 479 HB3 LYS 61 HB1 LYS 61 1.141 -1.517 -7.467 480 HG2 LYS 61 HG2 LYS 61 4.079 -2.246 -7.756 481 HG3 LYS 61 HG1 LYS 61 2.777 -3.323 -7.238 482 HD2 LYS 61 HD2 LYS 61 3.054 -2.043 -9.998 483 HD3 LYS 61 HD1 LYS 61 3.413 -3.725 -9.599 484 HE2 LYS 61 HE2 LYS 61 1.030 -4.103 -9.068 485 HE3 LYS 61 HE1 LYS 61 0.666 -2.413 -9.426 486 HZ1 LYS 61 HZ1 LYS 61 0.128 -3.834 -11.282 487 HZ2 LYS 61 HZ2 LYS 61 1.713 -4.414 -11.356 488 HZ3 LYS 61 HZ3 LYS 61 1.386 -2.789 -11.706 489 H LEU 62 HN LEU 62 3.052 2.409 -7.486 490 HA LEU 62 HA LEU 62 0.311 3.192 -6.710 491 HB2 LEU 62 HB2 LEU 62 2.944 4.640 -6.170 492 HB3 LEU 62 HB1 LEU 62 1.367 5.055 -5.510 493 HG LEU 62 HG LEU 62 2.982 2.555 -4.862 494 HD11 LEU 62 HD11 LEU 62 3.910 4.569 -3.836 495 HD12 LEU 62 HD12 LEU 62 3.217 3.504 -2.617 496 HD13 LEU 62 HD13 LEU 62 2.342 4.955 -3.122 497 HD21 LEU 62 HD21 LEU 62 1.267 2.013 -3.191 498 HD22 LEU 62 HD22 LEU 62 0.581 2.034 -4.811 499 HD23 LEU 62 HD23 LEU 62 0.292 3.391 -3.720 500 H LYS 63 HN LYS 63 -0.647 3.704 -8.666 501 HA LYS 63 HA LYS 63 0.585 5.604 -10.529 502 HB2 LYS 63 HB2 LYS 63 -0.650 3.554 -11.328 503 HB3 LYS 63 HB1 LYS 63 -2.134 4.209 -10.664 504 HG2 LYS 63 HG2 LYS 63 -0.571 5.720 -12.771 505 HG3 LYS 63 HG1 LYS 63 -1.653 4.410 -13.226 506 HD2 LYS 63 HD2 LYS 63 -3.562 5.610 -12.230 507 HD3 LYS 63 HD1 LYS 63 -2.492 6.906 -11.696 508 HE2 LYS 63 HE2 LYS 63 -1.949 7.402 -14.079 509 HE3 LYS 63 HE1 LYS 63 -3.081 6.144 -14.578 510 HZ1 LYS 63 HZ1 LYS 63 -3.804 8.553 -13.000 511 HZ2 LYS 63 HZ2 LYS 63 -4.872 7.376 -13.582 512 HZ3 LYS 63 HZ3 LYS 63 -4.037 8.372 -14.665 513 H ASN 64 HN ASN 64 -1.825 5.438 -8.008 514 HA ASN 64 HA ASN 64 -2.006 8.324 -7.839 515 HB2 ASN 64 HB2 ASN 64 -4.591 8.232 -7.925 516 HB3 ASN 64 HB1 ASN 64 -3.732 8.164 -9.452 517 HD21 ASN 64 HD21 ASN 64 -4.329 5.494 -7.142 518 HD22 ASN 64 HD22 ASN 64 -5.289 4.564 -8.223 519 H VAL 65 HN VAL 65 -3.807 8.850 -6.056 520 HA VAL 65 HA VAL 65 -2.821 7.723 -3.630 521 HB VAL 65 HB VAL 65 -5.283 9.507 -3.954 522 HG11 VAL 65 HG11 VAL 65 -4.835 10.202 -1.637 523 HG12 VAL 65 HG12 VAL 65 -3.452 9.111 -1.557 524 HG13 VAL 65 HG13 VAL 65 -5.081 8.458 -1.722 525 HG21 VAL 65 HG21 VAL 65 -2.393 10.356 -3.545 526 HG22 VAL 65 HG22 VAL 65 -3.790 11.435 -3.581 527 HG23 VAL 65 HG23 VAL 65 -3.315 10.555 -5.030 528 H GLY 66 HN GLY 66 -5.399 6.758 -5.720 529 HA2 GLY 66 HA2 GLY 66 -7.031 5.321 -3.871 530 HA3 GLY 66 HA1 GLY 66 -6.944 5.065 -5.611 531 H ASP 67 HN ASP 67 -4.093 4.554 -5.692 532 HA ASP 67 HA ASP 67 -3.925 1.817 -4.946 533 HB2 ASP 67 HB2 ASP 67 -1.744 3.772 -5.778 534 HB3 ASP 67 HB1 ASP 67 -1.474 2.047 -5.527 535 H LEU 68 HN LEU 68 -2.732 4.857 -3.476 536 HA LEU 68 HA LEU 68 -1.457 3.680 -1.221 537 HB2 LEU 68 HB2 LEU 68 -2.550 6.467 -1.714 538 HB3 LEU 68 HB1 LEU 68 -1.980 6.018 -0.123 539 HG LEU 68 HG LEU 68 -0.229 7.218 -1.189 540 HD11 LEU 68 HD11 LEU 68 0.498 4.288 -1.228 541 HD12 LEU 68 HD12 LEU 68 0.502 5.355 0.179 542 HD13 LEU 68 HD13 LEU 68 1.628 5.645 -1.144 543 HD21 LEU 68 HD21 LEU 68 0.789 6.588 -3.335 544 HD22 LEU 68 HD22 LEU 68 -0.912 7.012 -3.516 545 HD23 LEU 68 HD23 LEU 68 -0.423 5.317 -3.537 546 H ALA 69 HN ALA 69 -4.830 4.441 -1.897 547 HA ALA 69 HA ALA 69 -5.858 4.311 0.729 548 HB1 ALA 69 HB1 ALA 69 -8.044 3.863 -0.328 549 HB2 ALA 69 HB2 ALA 69 -7.240 3.542 -1.869 550 HB3 ALA 69 HB3 ALA 69 -7.187 5.159 -1.165 551 H ASP 70 HN ASP 70 -5.626 1.831 -1.802 552 HA ASP 70 HA ASP 70 -6.394 -0.373 -0.155 553 HB2 ASP 70 HB2 ASP 70 -5.021 -0.250 -2.869 554 HB3 ASP 70 HB1 ASP 70 -5.472 -1.768 -2.098 555 H LEU 71 HN LEU 71 -3.234 1.032 -0.986 556 HA LEU 71 HA LEU 71 -1.633 -1.207 -0.198 557 HB2 LEU 71 HB2 LEU 71 -1.099 1.110 -1.632 558 HB3 LEU 71 HB1 LEU 71 -0.304 1.484 -0.128 559 HG LEU 71 HG LEU 71 1.339 0.594 -1.647 560 HD11 LEU 71 HD11 LEU 71 2.239 -1.344 -0.469 561 HD12 LEU 71 HD12 LEU 71 0.699 -1.568 0.367 562 HD13 LEU 71 HD13 LEU 71 1.655 -0.113 0.650 563 HD21 LEU 71 HD21 LEU 71 1.175 -1.606 -2.722 564 HD22 LEU 71 HD22 LEU 71 -0.146 -0.548 -3.211 565 HD23 LEU 71 HD23 LEU 71 -0.439 -1.832 -2.036 566 H VAL 72 HN VAL 72 -2.218 1.971 1.359 567 HA VAL 72 HA VAL 72 -0.915 1.345 3.794 568 HB VAL 72 HB VAL 72 -3.042 3.495 3.329 569 HG11 VAL 72 HG11 VAL 72 -0.946 3.293 5.537 570 HG12 VAL 72 HG12 VAL 72 -2.683 3.047 5.737 571 HG13 VAL 72 HG13 VAL 72 -2.066 4.639 5.296 572 HG21 VAL 72 HG21 VAL 72 -1.154 3.794 1.764 573 HG22 VAL 72 HG22 VAL 72 -0.009 3.711 3.107 574 HG23 VAL 72 HG23 VAL 72 -1.137 5.064 2.993 575 H ASP 73 HN ASP 73 -4.241 0.768 2.636 576 HA ASP 73 HA ASP 73 -5.392 -0.060 5.110 577 HB2 ASP 73 HB2 ASP 73 -6.209 -0.154 2.292 578 HB3 ASP 73 HB1 ASP 73 -6.613 -1.675 3.062 579 H LYS 74 HN LYS 74 -3.439 -1.774 2.736 580 HA LYS 74 HA LYS 74 -3.591 -4.424 3.805 581 HB2 LYS 74 HB2 LYS 74 -1.137 -3.159 2.492 582 HB3 LYS 74 HB1 LYS 74 -1.416 -4.880 2.717 583 HG2 LYS 74 HG2 LYS 74 -2.956 -3.031 0.877 584 HG3 LYS 74 HG1 LYS 74 -1.762 -4.232 0.395 585 HD2 LYS 74 HD2 LYS 74 -4.437 -4.817 1.720 586 HD3 LYS 74 HD1 LYS 74 -4.090 -5.000 0.001 587 HE2 LYS 74 HE2 LYS 74 -2.382 -6.741 0.572 588 HE3 LYS 74 HE1 LYS 74 -2.823 -6.580 2.270 589 HZ1 LYS 74 HZ1 LYS 74 -3.935 -8.449 1.273 590 HZ2 LYS 74 HZ2 LYS 74 -4.623 -7.461 0.090 591 HZ3 LYS 74 HZ3 LYS 74 -5.073 -7.274 1.702 592 H LYS 75 HN LYS 75 -1.551 -1.639 4.494 593 HA LYS 75 HA LYS 75 0.192 -2.901 6.358 594 HB2 LYS 75 HB2 LYS 75 -0.345 0.058 5.886 595 HB3 LYS 75 HB1 LYS 75 1.035 -0.625 6.736 596 HG2 LYS 75 HG2 LYS 75 0.423 -0.892 3.782 597 HG3 LYS 75 HG1 LYS 75 1.679 0.112 4.514 598 HD2 LYS 75 HD2 LYS 75 2.813 -1.947 5.345 599 HD3 LYS 75 HD1 LYS 75 1.566 -2.934 4.573 600 HE2 LYS 75 HE2 LYS 75 2.248 -2.000 2.361 601 HE3 LYS 75 HE1 LYS 75 3.538 -1.096 3.167 602 HZ1 LYS 75 HZ1 LYS 75 4.329 -3.163 2.199 603 HZ2 LYS 75 HZ2 LYS 75 3.250 -4.050 3.148 604 HZ3 LYS 75 HZ3 LYS 75 4.503 -3.176 3.883 605 H LEU 76 HN LEU 76 -2.792 -0.990 6.624 606 HA LEU 76 HA LEU 76 -2.678 -0.556 9.452 607 HB2 LEU 76 HB2 LEU 76 -5.014 -0.371 7.507 608 HB3 LEU 76 HB1 LEU 76 -5.142 0.036 9.215 609 HG LEU 76 HG LEU 76 -3.452 1.479 7.136 610 HD11 LEU 76 HD11 LEU 76 -5.807 2.011 6.942 611 HD12 LEU 76 HD12 LEU 76 -4.927 3.397 7.583 612 HD13 LEU 76 HD13 LEU 76 -5.904 2.397 8.666 613 HD21 LEU 76 HD21 LEU 76 -3.641 2.056 10.110 614 HD22 LEU 76 HD22 LEU 76 -2.846 3.079 8.912 615 HD23 LEU 76 HD23 LEU 76 -2.221 1.466 9.240 616 H ALA 77 HN ALA 77 -4.228 -2.943 7.359 617 HA ALA 77 HA ALA 77 -5.500 -4.557 9.257 618 HB1 ALA 77 HB1 ALA 77 -5.317 -6.386 7.602 619 HB2 ALA 77 HB2 ALA 77 -4.113 -5.452 6.705 620 HB3 ALA 77 HB3 ALA 77 -5.771 -4.865 6.827 621 H ARG 78 HN ARG 78 -2.083 -4.435 8.302 622 HA ARG 78 HA ARG 78 -1.231 -6.572 10.049 623 HB2 ARG 78 HB2 ARG 78 0.436 -4.342 8.802 624 HB3 ARG 78 HB1 ARG 78 1.067 -5.818 9.529 625 HG2 ARG 78 HG2 ARG 78 -0.656 -5.647 7.031 626 HG3 ARG 78 HG1 ARG 78 1.079 -5.963 7.075 627 HD2 ARG 78 HD2 ARG 78 0.695 -8.084 8.220 628 HD3 ARG 78 HD1 ARG 78 -1.035 -7.746 8.329 629 HE ARG 78 HE ARG 78 -0.004 -7.771 5.628 630 HH11 ARG 78 HH11 ARG 78 -1.480 -9.732 8.157 631 HH12 ARG 78 HH12 ARG 78 -1.929 -11.004 7.063 632 HH21 ARG 78 HH21 ARG 78 -0.603 -9.425 4.221 633 HH22 ARG 78 HH22 ARG 78 -1.431 -10.828 4.827 634 H LYS 79 HN LYS 79 -1.583 -3.060 10.382 635 HA LYS 79 HA LYS 79 -0.339 -2.898 12.979 636 HB2 LYS 79 HB2 LYS 79 -2.035 -0.864 11.480 637 HB3 LYS 79 HB1 LYS 79 -1.170 -0.543 12.982 638 HG2 LYS 79 HG2 LYS 79 0.054 -1.223 10.292 639 HG3 LYS 79 HG1 LYS 79 0.072 0.350 11.093 640 HD2 LYS 79 HD2 LYS 79 1.499 -0.565 12.885 641 HD3 LYS 79 HD1 LYS 79 1.421 -2.173 12.156 642 HE2 LYS 79 HE2 LYS 79 2.565 -1.271 10.139 643 HE3 LYS 79 HE1 LYS 79 2.690 0.302 10.935 644 HZ1 LYS 79 HZ1 LYS 79 3.910 -2.238 11.876 645 HZ2 LYS 79 HZ2 LYS 79 4.015 -0.747 12.664 646 HZ3 LYS 79 HZ3 LYS 79 4.719 -0.947 11.144 647 H LEU 80 HN LEU 80 -3.355 -4.047 11.985 648 HA LEU 80 HA LEU 80 -5.046 -3.354 14.128 649 HB2 LEU 80 HB2 LEU 80 -5.043 -5.349 11.986 650 HB3 LEU 80 HB1 LEU 80 -5.662 -6.074 13.448 651 HG LEU 80 HG LEU 80 -7.514 -5.264 12.111 652 HD11 LEU 80 HD11 LEU 80 -7.786 -5.110 14.535 653 HD12 LEU 80 HD12 LEU 80 -8.687 -3.843 13.707 654 HD13 LEU 80 HD13 LEU 80 -7.166 -3.454 14.519 655 HD21 LEU 80 HD21 LEU 80 -6.360 -3.550 10.791 656 HD22 LEU 80 HD22 LEU 80 -6.262 -2.499 12.205 657 HD23 LEU 80 HD23 LEU 80 -7.833 -2.905 11.511 658 H GLU 81 HN GLU 81 -2.296 -5.459 14.047 659 HA GLU 81 HA GLU 81 -2.779 -6.835 16.523 660 HB2 GLU 81 HB2 GLU 81 -0.198 -6.432 14.950 661 HB3 GLU 81 HB1 GLU 81 -0.421 -7.576 16.274 662 HG2 GLU 81 HG2 GLU 81 -1.806 -7.632 13.569 663 HG3 GLU 81 HG1 GLU 81 -0.540 -8.727 14.129 664 H HIS 82 HN HIS 82 -1.922 -3.669 15.817 665 HA HIS 82 HA HIS 82 -0.739 -3.136 18.482 666 HB2 HIS 82 HB2 HIS 82 -0.737 -1.441 15.935 667 HB3 HIS 82 HB1 HIS 82 -0.046 -0.935 17.476 668 HD1 HIS 82 HD1 HIS 82 2.257 -1.828 18.089 669 HD2 HIS 82 HD2 HIS 82 0.762 -3.452 14.563 670 HE1 HIS 82 HE1 HIS 82 4.171 -3.090 17.063 671 HE2 HIS 82 HE2 HIS 82 3.222 -4.161 14.983 672 H HIS 83 HN HIS 83 -1.392 -0.682 19.013 673 HA HIS 83 HA HIS 83 -4.094 0.103 18.344 674 HB2 HIS 83 HB2 HIS 83 -4.983 0.084 20.634 675 HB3 HIS 83 HB1 HIS 83 -4.511 -1.547 20.185 676 HD1 HIS 83 HD1 HIS 83 -4.128 0.911 22.816 677 HD2 HIS 83 HD2 HIS 83 -1.926 -2.320 21.409 678 HE1 HIS 83 HE1 HIS 83 -2.551 0.313 24.672 679 HE2 HIS 83 HE2 HIS 83 -1.116 -1.521 23.736 680 H HIS 84 HN HIS 84 -4.299 1.961 20.599 681 HA HIS 84 HA HIS 84 -3.558 3.856 21.557 682 HB2 HIS 84 HB2 HIS 84 -1.461 2.718 22.158 683 HB3 HIS 84 HB1 HIS 84 -0.787 3.051 20.568 684 HD1 HIS 84 HD1 HIS 84 -1.798 4.828 23.755 685 HD2 HIS 84 HD2 HIS 84 0.483 5.497 20.351 686 HE1 HIS 84 HE1 HIS 84 -0.596 6.992 24.163 687 HE2 HIS 84 HE2 HIS 84 0.719 7.417 22.064 688 H HIS 85 HN HIS 85 -4.519 5.470 20.564 689 HA HIS 85 HA HIS 85 -3.534 6.520 17.978 690 HB2 HIS 85 HB2 HIS 85 -5.931 6.814 17.269 691 HB3 HIS 85 HB1 HIS 85 -5.471 5.125 17.439 692 HD1 HIS 85 HD1 HIS 85 -7.155 3.754 18.638 693 HD2 HIS 85 HD2 HIS 85 -7.378 7.729 19.803 694 HE1 HIS 85 HE1 HIS 85 -9.086 3.875 20.235 695 HE2 HIS 85 HE2 HIS 85 -9.310 6.312 20.782 696 H HIS 86 HN HIS 86 -4.688 8.680 17.525 697 HA HIS 86 HA HIS 86 -5.501 10.254 19.828 698 HB2 HIS 86 HB2 HIS 86 -3.765 11.974 19.608 699 HB3 HIS 86 HB1 HIS 86 -3.017 10.418 19.931 700 HD1 HIS 86 HD1 HIS 86 -2.012 9.186 17.684 701 HD2 HIS 86 HD2 HIS 86 -2.710 13.282 17.458 702 HE1 HIS 86 HE1 HIS 86 -0.670 9.990 15.714 703 HE2 HIS 86 HE2 HIS 86 -0.957 12.494 15.723 704 H HIS 87 HN HIS 87 -5.414 9.625 16.478 705 HA HIS 87 HA HIS 87 -7.332 11.682 15.822 706 HB2 HIS 87 HB2 HIS 87 -5.240 12.975 15.638 707 HB3 HIS 87 HB1 HIS 87 -4.551 11.769 14.556 708 HD1 HIS 87 HD1 HIS 87 -5.240 11.863 12.105 709 HD2 HIS 87 HD2 HIS 87 -7.200 14.669 14.467 710 HE1 HIS 87 HE1 HIS 87 -6.368 13.425 10.492 711 HE2 HIS 87 HE2 HIS 87 -7.642 15.044 11.941 712 H282 PNS 88 H282 PNS 88 7.467 11.712 -9.725 713 H281 PNS 88 H281 PNS 88 7.837 11.901 -11.443 714 H303 PNS 88 H303 PNS 88 5.075 11.775 -10.183 715 H302 PNS 88 H302 PNS 88 5.183 11.820 -11.947 716 H301 PNS 88 H301 PNS 88 4.267 10.530 -11.148 717 H313 PNS 88 H313 PNS 88 7.012 8.501 -9.912 718 H312 PNS 88 H312 PNS 88 6.195 9.719 -8.929 719 H311 PNS 88 H311 PNS 88 5.258 8.729 -10.041 720 H32 PNS 88 H32 PNS 88 7.148 10.318 -13.106 721 H33 PNS 88 H33 PNS 88 7.143 7.665 -12.500 722 H36 PNS 88 H36 PNS 88 5.002 7.887 -11.523 723 H372 PNS 88 H372 PNS 88 2.850 8.339 -13.429 724 H371 PNS 88 H371 PNS 88 3.619 6.740 -13.464 725 H382 PNS 88 H382 PNS 88 1.688 6.648 -12.000 726 H381 PNS 88 H381 PNS 88 3.157 6.487 -11.040 727 H41 PNS 88 H41 PNS 88 2.114 7.133 -9.142 728 H422 PNS 88 H422 PNS 88 2.239 9.702 -8.247 729 H421 PNS 88 H421 PNS 88 0.587 9.545 -8.843 730 H431 PNS 88 H431 PNS 88 0.263 7.602 -7.331 731 H432 PNS 88 H432 PNS 88 0.644 9.084 -6.453 732 H44 PNS 88 H44 PNS 88 2.979 8.342 -5.474 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -9.838 1.385 4.621 2 H2 MET 1 HT2 MET 1 -10.871 0.118 5.002 3 H3 MET 1 HT3 MET 1 -10.089 0.948 6.234 4 HA MET 1 HA MET 1 -12.136 1.985 4.398 5 HB2 MET 1 HB2 MET 1 -12.270 1.305 7.350 6 HB3 MET 1 HB1 MET 1 -13.464 2.336 6.575 7 HG2 MET 1 HG2 MET 1 -14.043 0.495 5.037 8 HG3 MET 1 HG1 MET 1 -12.872 -0.539 5.854 9 HE1 MET 1 HE1 MET 1 -16.622 1.131 8.018 10 HE2 MET 1 HE2 MET 1 -16.208 1.570 6.365 11 HE3 MET 1 HE3 MET 1 -15.187 2.114 7.702 12 HA PRO 2 HA PRO 2 -10.968 5.820 6.928 13 HB2 PRO 2 HB2 PRO 2 -9.481 5.797 9.151 14 HB3 PRO 2 HB1 PRO 2 -11.083 5.050 9.144 15 HG2 PRO 2 HG2 PRO 2 -8.381 3.754 9.080 16 HG3 PRO 2 HG1 PRO 2 -9.879 3.198 9.856 17 HD2 PRO 2 HD2 PRO 2 -8.872 2.397 7.294 18 HD3 PRO 2 HD1 PRO 2 -10.448 1.989 7.998 19 H THR 3 HN THR 3 -9.064 4.523 4.966 20 HA THR 3 HA THR 3 -6.402 5.372 5.600 21 HB THR 3 HB THR 3 -5.840 4.614 3.259 22 HG1 THR 3 HG1 THR 3 -7.789 3.268 2.433 23 HG21 THR 3 HG21 THR 3 -7.425 2.627 4.932 24 HG22 THR 3 HG22 THR 3 -5.733 3.065 5.190 25 HG23 THR 3 HG23 THR 3 -6.211 2.230 3.711 26 H LEU 4 HN LEU 4 -8.518 6.369 2.781 27 HA LEU 4 HA LEU 4 -7.003 8.552 1.939 28 HB2 LEU 4 HB2 LEU 4 -10.017 8.145 1.823 29 HB3 LEU 4 HB1 LEU 4 -9.204 9.466 1.003 30 HG LEU 4 HG LEU 4 -8.718 6.516 0.404 31 HD11 LEU 4 HD11 LEU 4 -10.388 8.529 -1.154 32 HD12 LEU 4 HD12 LEU 4 -11.006 7.154 -0.233 33 HD13 LEU 4 HD13 LEU 4 -10.008 6.877 -1.657 34 HD21 LEU 4 HD21 LEU 4 -7.531 7.351 -1.586 35 HD22 LEU 4 HD22 LEU 4 -6.777 7.934 -0.105 36 HD23 LEU 4 HD23 LEU 4 -7.795 9.017 -1.060 37 H ASP 5 HN ASP 5 -9.560 8.399 4.364 38 HA ASP 5 HA ASP 5 -9.845 11.060 5.118 39 HB2 ASP 5 HB2 ASP 5 -11.364 9.271 5.861 40 HB3 ASP 5 HB1 ASP 5 -10.076 8.536 6.809 41 H ALA 6 HN ALA 6 -7.595 8.605 6.403 42 HA ALA 6 HA ALA 6 -6.330 10.383 8.299 43 HB1 ALA 6 HB1 ALA 6 -4.833 8.487 8.746 44 HB2 ALA 6 HB2 ALA 6 -5.469 7.637 7.335 45 HB3 ALA 6 HB3 ALA 6 -6.517 7.962 8.716 46 H LEU 7 HN LEU 7 -5.787 9.521 4.961 47 HA LEU 7 HA LEU 7 -3.008 10.305 4.873 48 HB2 LEU 7 HB2 LEU 7 -4.957 9.621 2.634 49 HB3 LEU 7 HB1 LEU 7 -3.258 9.981 2.382 50 HG LEU 7 HG LEU 7 -4.380 7.575 3.869 51 HD11 LEU 7 HD11 LEU 7 -3.450 6.238 2.034 52 HD12 LEU 7 HD12 LEU 7 -2.915 7.708 1.212 53 HD13 LEU 7 HD13 LEU 7 -4.639 7.396 1.439 54 HD21 LEU 7 HD21 LEU 7 -1.477 8.308 3.383 55 HD22 LEU 7 HD22 LEU 7 -2.058 6.791 4.073 56 HD23 LEU 7 HD23 LEU 7 -2.309 8.301 4.940 57 H THR 8 HN THR 8 -6.158 11.847 4.225 58 HA THR 8 HA THR 8 -5.301 13.878 2.498 59 HB THR 8 HB THR 8 -7.634 14.021 4.454 60 HG1 THR 8 HG1 THR 8 -7.356 12.414 2.501 61 HG21 THR 8 HG21 THR 8 -7.074 15.719 1.984 62 HG22 THR 8 HG22 THR 8 -7.039 16.289 3.654 63 HG23 THR 8 HG23 THR 8 -8.558 15.753 2.935 64 HA PRO 9 HA PRO 9 -4.365 16.741 6.508 65 HB2 PRO 9 HB2 PRO 9 -3.602 14.481 8.363 66 HB3 PRO 9 HB1 PRO 9 -4.320 16.056 8.748 67 HG2 PRO 9 HG2 PRO 9 -5.838 13.878 8.765 68 HG3 PRO 9 HG1 PRO 9 -6.467 15.383 8.056 69 HD2 PRO 9 HD2 PRO 9 -5.359 12.946 6.660 70 HD3 PRO 9 HD1 PRO 9 -6.781 13.930 6.245 71 H ILE 10 HN ILE 10 -2.739 13.661 5.795 72 HA ILE 10 HA ILE 10 -0.056 14.489 6.334 73 HB ILE 10 HB ILE 10 -1.019 12.278 4.455 74 HG12 ILE 10 HG12 ILE 10 -1.800 11.902 6.766 75 HG13 ILE 10 HG11 ILE 10 -0.585 10.709 6.323 76 HG21 ILE 10 HG21 ILE 10 1.766 12.717 5.609 77 HG22 ILE 10 HG22 ILE 10 1.291 12.897 3.920 78 HG23 ILE 10 HG23 ILE 10 1.256 11.310 4.679 79 HD11 ILE 10 HD11 ILE 10 -0.167 13.127 8.078 80 HD12 ILE 10 HD12 ILE 10 1.088 11.976 7.606 81 HD13 ILE 10 HD13 ILE 10 -0.272 11.441 8.592 82 H PHE 11 HN PHE 11 -2.064 14.392 3.392 83 HA PHE 11 HA PHE 11 -0.068 15.349 1.584 84 HB2 PHE 11 HB2 PHE 11 -3.097 15.121 1.406 85 HB3 PHE 11 HB1 PHE 11 -2.146 15.814 0.098 86 HD1 PHE 11 HD2 PHE 11 -1.758 12.749 2.273 87 HD2 PHE 11 HD1 PHE 11 -1.974 14.327 -1.684 88 HE1 PHE 11 HE2 PHE 11 -1.417 10.500 1.360 89 HE2 PHE 11 HE1 PHE 11 -1.636 12.077 -2.583 90 HZ PHE 11 HZ PHE 11 -1.355 10.160 -1.076 91 H ARG 12 HN ARG 12 -2.741 16.910 3.347 92 HA ARG 12 HA ARG 12 -2.349 19.547 2.439 93 HB2 ARG 12 HB2 ARG 12 -3.553 18.492 5.024 94 HB3 ARG 12 HB1 ARG 12 -3.586 20.197 4.571 95 HG2 ARG 12 HG2 ARG 12 -4.878 19.578 2.517 96 HG3 ARG 12 HG1 ARG 12 -4.914 17.904 3.075 97 HD2 ARG 12 HD2 ARG 12 -6.197 18.539 5.046 98 HD3 ARG 12 HD1 ARG 12 -6.060 20.252 4.634 99 HE ARG 12 HE ARG 12 -7.233 19.110 2.448 100 HH11 ARG 12 HH11 ARG 12 -8.096 19.335 5.840 101 HH12 ARG 12 HH12 ARG 12 -9.794 19.195 5.528 102 HH21 ARG 12 HH21 ARG 12 -9.436 18.927 2.055 103 HH22 ARG 12 HH22 ARG 12 -10.560 18.986 3.377 104 H GLN 13 HN GLN 13 -0.617 17.680 4.890 105 HA GLN 13 HA GLN 13 0.805 19.904 6.002 106 HB2 GLN 13 HB2 GLN 13 0.324 17.619 7.112 107 HB3 GLN 13 HB1 GLN 13 1.603 16.962 6.109 108 HG2 GLN 13 HG2 GLN 13 2.568 17.400 8.243 109 HG3 GLN 13 HG1 GLN 13 3.168 18.661 7.158 110 HE21 GLN 13 HE21 GLN 13 1.028 17.949 9.847 111 HE22 GLN 13 HE22 GLN 13 0.769 19.586 10.338 112 H VAL 14 HN VAL 14 1.788 17.162 3.940 113 HA VAL 14 HA VAL 14 4.430 17.863 3.447 114 HB VAL 14 HB VAL 14 2.501 16.081 1.903 115 HG11 VAL 14 HG11 VAL 14 4.468 15.088 0.716 116 HG12 VAL 14 HG12 VAL 14 5.487 16.374 1.368 117 HG13 VAL 14 HG13 VAL 14 4.178 16.767 0.250 118 HG21 VAL 14 HG21 VAL 14 3.105 15.325 4.174 119 HG22 VAL 14 HG22 VAL 14 4.818 15.395 3.753 120 HG23 VAL 14 HG23 VAL 14 3.759 14.231 2.949 121 H PHE 15 HN PHE 15 1.621 18.322 1.284 122 HA PHE 15 HA PHE 15 3.165 19.852 -0.648 123 HB2 PHE 15 HB2 PHE 15 0.167 19.255 -0.600 124 HB3 PHE 15 HB1 PHE 15 1.080 19.892 -1.970 125 HD1 PHE 15 HD1 PHE 15 2.965 18.437 -2.943 126 HD2 PHE 15 HD2 PHE 15 -0.008 16.898 -0.300 127 HE1 PHE 15 HE1 PHE 15 3.487 16.154 -3.643 128 HE2 PHE 15 HE2 PHE 15 0.538 14.618 -1.008 129 HZ PHE 15 HZ PHE 15 2.293 14.244 -2.681 130 H ASP 16 HN ASP 16 1.104 20.448 2.069 131 HA ASP 16 HA ASP 16 0.309 22.244 3.130 132 HB2 ASP 16 HB2 ASP 16 2.602 23.035 3.241 133 HB3 ASP 16 HB1 ASP 16 2.515 23.688 1.609 134 H ASP 17 HN ASP 17 -1.680 21.937 2.127 135 HA ASP 17 HA ASP 17 -2.732 24.179 0.688 136 HB2 ASP 17 HB2 ASP 17 -1.699 22.948 -1.216 137 HB3 ASP 17 HB1 ASP 17 -2.604 21.505 -0.785 138 H ASP 18 HN ASP 18 -4.549 24.465 1.775 139 HA ASP 18 HA ASP 18 -5.967 22.631 3.366 140 HB2 ASP 18 HB2 ASP 18 -6.116 25.018 3.764 141 HB3 ASP 18 HB1 ASP 18 -6.740 25.313 2.149 142 H SER 19 HN SER 19 -6.191 23.216 -0.058 143 HA SER 19 HA SER 19 -9.011 22.600 -0.294 144 HB2 SER 19 HB2 SER 19 -6.971 23.043 -2.508 145 HB3 SER 19 HB1 SER 19 -8.732 23.114 -2.659 146 HG SER 19 HG SER 19 -6.942 24.968 -1.673 147 H ILE 20 HN ILE 20 -6.053 20.758 -0.367 148 HA ILE 20 HA ILE 20 -6.705 18.686 -2.164 149 HB ILE 20 HB ILE 20 -4.970 18.540 0.349 150 HG12 ILE 20 HG12 ILE 20 -4.180 18.870 -2.581 151 HG13 ILE 20 HG11 ILE 20 -4.140 20.142 -1.365 152 HG21 ILE 20 HG21 ILE 20 -5.179 16.516 -1.916 153 HG22 ILE 20 HG22 ILE 20 -5.686 16.268 -0.244 154 HG23 ILE 20 HG23 ILE 20 -3.978 16.473 -0.624 155 HD11 ILE 20 HD11 ILE 20 -1.923 19.274 -1.821 156 HD12 ILE 20 HD12 ILE 20 -2.434 17.648 -1.374 157 HD13 ILE 20 HD13 ILE 20 -2.389 18.927 -0.157 158 H VAL 21 HN VAL 21 -8.464 17.456 -2.088 159 HA VAL 21 HA VAL 21 -9.305 16.151 0.435 160 HB VAL 21 HB VAL 21 -11.165 17.047 -1.829 161 HG11 VAL 21 HG11 VAL 21 -13.008 16.297 -0.337 162 HG12 VAL 21 HG12 VAL 21 -11.819 15.702 0.824 163 HG13 VAL 21 HG13 VAL 21 -11.935 14.964 -0.775 164 HG21 VAL 21 HG21 VAL 21 -10.452 19.006 -0.517 165 HG22 VAL 21 HG22 VAL 21 -10.920 18.199 0.982 166 HG23 VAL 21 HG23 VAL 21 -12.153 18.642 -0.204 167 H LEU 22 HN LEU 22 -8.644 14.091 0.170 168 HA LEU 22 HA LEU 22 -7.845 13.089 -2.393 169 HB2 LEU 22 HB2 LEU 22 -7.938 11.715 0.308 170 HB3 LEU 22 HB1 LEU 22 -7.205 11.023 -1.139 171 HG LEU 22 HG LEU 22 -6.291 13.540 0.299 172 HD11 LEU 22 HD11 LEU 22 -4.970 10.834 0.038 173 HD12 LEU 22 HD12 LEU 22 -5.735 11.489 1.487 174 HD13 LEU 22 HD13 LEU 22 -4.293 12.256 0.830 175 HD21 LEU 22 HD21 LEU 22 -5.971 13.799 -2.124 176 HD22 LEU 22 HD22 LEU 22 -5.128 12.248 -2.199 177 HD23 LEU 22 HD23 LEU 22 -4.426 13.598 -1.305 178 H THR 23 HN THR 23 -8.632 11.557 -3.629 179 HA THR 23 HA THR 23 -11.037 10.009 -2.925 180 HB THR 23 HB THR 23 -11.939 10.234 -5.201 181 HG1 THR 23 HG1 THR 23 -10.708 12.080 -6.451 182 HG21 THR 23 HG21 THR 23 -12.666 12.009 -3.643 183 HG22 THR 23 HG22 THR 23 -12.555 12.630 -5.290 184 HG23 THR 23 HG23 THR 23 -11.288 13.007 -4.120 185 H ARG 24 HN ARG 24 -11.147 8.126 -4.626 186 HA ARG 24 HA ARG 24 -8.733 6.648 -4.604 187 HB2 ARG 24 HB2 ARG 24 -11.247 6.178 -6.250 188 HB3 ARG 24 HB1 ARG 24 -9.971 4.993 -5.977 189 HG2 ARG 24 HG2 ARG 24 -10.489 5.030 -3.543 190 HG3 ARG 24 HG1 ARG 24 -11.803 6.167 -3.857 191 HD2 ARG 24 HD2 ARG 24 -12.677 3.891 -3.638 192 HD3 ARG 24 HD1 ARG 24 -12.916 4.476 -5.292 193 HE ARG 24 HE ARG 24 -10.644 2.727 -4.543 194 HH11 ARG 24 HH11 ARG 24 -13.338 3.382 -6.693 195 HH12 ARG 24 HH12 ARG 24 -13.001 2.020 -7.708 196 HH21 ARG 24 HH21 ARG 24 -10.203 0.977 -5.889 197 HH22 ARG 24 HH22 ARG 24 -11.219 0.652 -7.255 198 H GLU 25 HN GLU 25 -10.066 8.905 -6.951 199 HA GLU 25 HA GLU 25 -8.321 7.934 -9.111 200 HB2 GLU 25 HB2 GLU 25 -9.672 9.419 -10.564 201 HB3 GLU 25 HB1 GLU 25 -10.666 8.247 -9.709 202 HG2 GLU 25 HG2 GLU 25 -11.455 9.917 -8.164 203 HG3 GLU 25 HG1 GLU 25 -10.316 11.108 -8.783 204 H THR 26 HN THR 26 -8.331 10.330 -6.646 205 HA THR 26 HA THR 26 -6.935 12.461 -7.824 206 HB THR 26 HB THR 26 -6.552 11.381 -4.983 207 HG1 THR 26 HG1 THR 26 -8.628 12.686 -6.184 208 HG21 THR 26 HG21 THR 26 -4.804 13.026 -5.586 209 HG22 THR 26 HG22 THR 26 -5.917 13.689 -4.393 210 HG23 THR 26 HG23 THR 26 -6.054 14.177 -6.081 211 H SER 27 HN SER 27 -4.778 12.813 -8.268 212 HA SER 27 HA SER 27 -2.654 10.946 -7.624 213 HB2 SER 27 HB2 SER 27 -2.112 10.455 -10.018 214 HB3 SER 27 HB1 SER 27 -3.703 9.826 -9.580 215 HG SER 27 HG SER 27 -4.663 11.455 -10.687 216 H ALA 28 HN ALA 28 -0.621 11.719 -8.931 217 HA ALA 28 HA ALA 28 -0.282 14.557 -8.655 218 HB1 ALA 28 HB1 ALA 28 1.543 12.996 -8.180 219 HB2 ALA 28 HB2 ALA 28 2.004 14.159 -9.427 220 HB3 ALA 28 HB3 ALA 28 1.575 12.503 -9.873 221 H ASN 29 HN ASN 29 -1.653 12.676 -11.121 222 HA ASN 29 HA ASN 29 -0.971 14.433 -13.348 223 HB2 ASN 29 HB2 ASN 29 -3.087 12.230 -13.135 224 HB3 ASN 29 HB1 ASN 29 -2.611 13.052 -14.616 225 HD21 ASN 29 HD21 ASN 29 0.255 13.007 -14.050 226 HD22 ASN 29 HD22 ASN 29 0.757 11.372 -14.239 227 H ASP 30 HN ASP 30 -3.432 13.878 -10.929 228 HA ASP 30 HA ASP 30 -5.210 16.010 -11.822 229 HB2 ASP 30 HB2 ASP 30 -6.109 13.843 -11.023 230 HB3 ASP 30 HB1 ASP 30 -5.322 14.076 -9.465 231 H ILE 31 HN ILE 31 -2.513 15.650 -9.681 232 HA ILE 31 HA ILE 31 -3.048 18.294 -8.430 233 HB ILE 31 HB ILE 31 -1.407 16.015 -7.199 234 HG12 ILE 31 HG12 ILE 31 -4.070 17.203 -6.315 235 HG13 ILE 31 HG11 ILE 31 -3.827 15.585 -6.960 236 HG21 ILE 31 HG21 ILE 31 -1.987 18.781 -6.060 237 HG22 ILE 31 HG22 ILE 31 -0.433 18.245 -6.702 238 HG23 ILE 31 HG23 ILE 31 -1.091 17.496 -5.248 239 HD11 ILE 31 HD11 ILE 31 -2.824 16.652 -4.319 240 HD12 ILE 31 HD12 ILE 31 -2.476 15.042 -4.955 241 HD13 ILE 31 HD13 ILE 31 -4.134 15.503 -4.574 242 H ASP 32 HN ASP 32 -1.981 19.552 -9.831 243 HA ASP 32 HA ASP 32 0.411 18.964 -11.219 244 HB2 ASP 32 HB2 ASP 32 -1.155 20.709 -11.975 245 HB3 ASP 32 HB1 ASP 32 -0.832 21.661 -10.530 246 H ALA 33 HN ALA 33 -0.214 20.305 -8.050 247 HA ALA 33 HA ALA 33 2.457 21.255 -7.522 248 HB1 ALA 33 HB1 ALA 33 0.451 22.274 -6.518 249 HB2 ALA 33 HB2 ALA 33 1.576 21.719 -5.279 250 HB3 ALA 33 HB3 ALA 33 0.123 20.782 -5.635 251 H TRP 34 HN TRP 34 1.608 18.124 -7.918 252 HA TRP 34 HA TRP 34 3.239 17.060 -5.682 253 HB2 TRP 34 HB2 TRP 34 0.853 16.294 -5.938 254 HB3 TRP 34 HB1 TRP 34 1.262 15.621 -7.503 255 HD1 TRP 34 HD1 TRP 34 4.159 14.547 -5.638 256 HE1 TRP 34 HE1 TRP 34 3.815 12.253 -4.549 257 HE3 TRP 34 HE3 TRP 34 -0.918 14.228 -6.014 258 HZ2 TRP 34 HZ2 TRP 34 1.696 10.529 -3.930 259 HZ3 TRP 34 HZ3 TRP 34 -2.028 12.215 -5.163 260 HH2 TRP 34 HH2 TRP 34 -0.746 10.396 -4.139 261 H ASP 35 HN ASP 35 5.132 16.171 -6.133 262 HA ASP 35 HA ASP 35 5.915 15.399 -8.886 263 HB2 ASP 35 HB2 ASP 35 7.741 16.657 -6.779 264 HB3 ASP 35 HB1 ASP 35 8.173 16.253 -8.440 265 H SER 36 HN SER 36 7.789 13.823 -8.850 266 HA SER 36 HA SER 36 7.562 11.762 -6.917 267 HB2 SER 36 HB2 SER 36 9.553 10.741 -8.135 268 HB3 SER 36 HB1 SER 36 8.125 11.040 -9.118 269 H LEU 37 HN LEU 37 9.504 14.610 -7.077 270 HA LEU 37 HA LEU 37 11.300 13.981 -4.954 271 HB2 LEU 37 HB2 LEU 37 10.092 16.683 -5.706 272 HB3 LEU 37 HB1 LEU 37 11.400 16.461 -4.562 273 HG LEU 37 HG LEU 37 12.438 17.233 -6.531 274 HD11 LEU 37 HD11 LEU 37 13.916 15.454 -7.240 275 HD12 LEU 37 HD12 LEU 37 12.810 14.234 -6.604 276 HD13 LEU 37 HD13 LEU 37 13.619 15.355 -5.507 277 HD21 LEU 37 HD21 LEU 37 10.595 16.959 -8.103 278 HD22 LEU 37 HD22 LEU 37 10.884 15.221 -8.181 279 HD23 LEU 37 HD23 LEU 37 12.099 16.349 -8.790 280 H SER 38 HN SER 38 8.017 15.251 -5.100 281 HA SER 38 HA SER 38 7.608 15.605 -2.302 282 HB2 SER 38 HB2 SER 38 5.547 15.333 -4.519 283 HB3 SER 38 HB1 SER 38 5.299 16.065 -2.932 284 HG SER 38 HG SER 38 6.259 17.824 -3.584 285 H HIS 39 HN HIS 39 7.125 12.892 -4.536 286 HA HIS 39 HA HIS 39 5.600 11.146 -2.970 287 HB2 HIS 39 HB2 HIS 39 7.746 10.652 -5.041 288 HB3 HIS 39 HB1 HIS 39 7.152 9.288 -4.117 289 HD2 HIS 39 HD2 HIS 39 6.681 9.856 -7.400 290 HE1 HIS 39 HE1 HIS 39 2.669 9.782 -6.118 291 HE2 HIS 39 HE2 HIS 39 4.243 9.308 -8.033 292 H MET 40 HN MET 40 9.086 11.788 -2.879 293 HA MET 40 HA MET 40 9.833 9.879 -0.955 294 HB2 MET 40 HB2 MET 40 11.071 12.586 -1.586 295 HB3 MET 40 HB1 MET 40 11.827 11.373 -0.560 296 HG2 MET 40 HG2 MET 40 11.092 10.773 -3.430 297 HG3 MET 40 HG1 MET 40 12.611 11.547 -2.999 298 HE1 MET 40 HE1 MET 40 10.623 8.209 -3.240 299 HE2 MET 40 HE2 MET 40 10.558 8.315 -1.480 300 HE3 MET 40 HE3 MET 40 11.559 7.086 -2.254 301 H ASN 41 HN ASN 41 8.937 13.292 -0.586 302 HA ASN 41 HA ASN 41 9.099 13.524 2.213 303 HB2 ASN 41 HB2 ASN 41 7.233 14.985 0.288 304 HB3 ASN 41 HB1 ASN 41 7.555 15.480 1.948 305 HD21 ASN 41 HD21 ASN 41 8.299 17.476 1.253 306 HD22 ASN 41 HD22 ASN 41 9.822 17.684 0.463 307 H LEU 42 HN LEU 42 6.384 12.654 0.126 308 HA LEU 42 HA LEU 42 4.345 12.583 2.060 309 HB2 LEU 42 HB2 LEU 42 4.224 12.744 -0.526 310 HB3 LEU 42 HB1 LEU 42 4.378 11.002 -0.544 311 HG LEU 42 HG LEU 42 2.040 11.859 -0.847 312 HD11 LEU 42 HD11 LEU 42 2.384 9.577 -0.054 313 HD12 LEU 42 HD12 LEU 42 0.914 10.284 0.609 314 HD13 LEU 42 HD13 LEU 42 2.356 10.142 1.618 315 HD21 LEU 42 HD21 LEU 42 2.186 13.807 0.644 316 HD22 LEU 42 HD22 LEU 42 2.243 12.738 2.049 317 HD23 LEU 42 HD23 LEU 42 0.803 12.790 1.032 318 H ILE 43 HN ILE 43 6.227 9.937 0.587 319 HA ILE 43 HA ILE 43 4.937 7.813 1.921 320 HB ILE 43 HB ILE 43 7.392 8.076 0.218 321 HG12 ILE 43 HG12 ILE 43 6.342 6.206 -1.052 322 HG13 ILE 43 HG11 ILE 43 5.103 6.046 0.184 323 HG21 ILE 43 HG21 ILE 43 8.153 5.749 0.587 324 HG22 ILE 43 HG22 ILE 43 7.040 5.610 1.951 325 HG23 ILE 43 HG23 ILE 43 8.376 6.762 2.014 326 HD11 ILE 43 HD11 ILE 43 4.259 7.163 -1.783 327 HD12 ILE 43 HD12 ILE 43 5.500 8.410 -1.647 328 HD13 ILE 43 HD13 ILE 43 4.250 8.268 -0.408 329 H VAL 44 HN VAL 44 7.994 9.579 2.740 330 HA VAL 44 HA VAL 44 8.617 7.917 4.957 331 HB VAL 44 HB VAL 44 10.214 9.623 5.672 332 HG11 VAL 44 HG11 VAL 44 10.905 8.063 3.916 333 HG12 VAL 44 HG12 VAL 44 11.651 9.640 3.652 334 HG13 VAL 44 HG13 VAL 44 10.268 9.145 2.674 335 HG21 VAL 44 HG21 VAL 44 10.520 11.745 4.444 336 HG22 VAL 44 HG22 VAL 44 8.934 11.677 5.214 337 HG23 VAL 44 HG23 VAL 44 9.084 11.393 3.478 338 H SER 45 HN SER 45 6.545 10.749 4.670 339 HA SER 45 HA SER 45 6.009 11.224 7.401 340 HB2 SER 45 HB2 SER 45 4.063 11.481 5.069 341 HB3 SER 45 HB1 SER 45 3.920 12.282 6.634 342 HG SER 45 HG SER 45 5.326 13.008 4.450 343 H LEU 46 HN LEU 46 4.579 8.907 5.086 344 HA LEU 46 HA LEU 46 2.589 7.870 6.878 345 HB2 LEU 46 HB2 LEU 46 3.753 6.520 4.413 346 HB3 LEU 46 HB1 LEU 46 2.218 6.149 5.187 347 HG LEU 46 HG LEU 46 2.913 8.685 3.654 348 HD11 LEU 46 HD11 LEU 46 0.929 6.485 3.012 349 HD12 LEU 46 HD12 LEU 46 2.472 6.776 2.209 350 HD13 LEU 46 HD13 LEU 46 1.182 7.965 2.081 351 HD21 LEU 46 HD21 LEU 46 1.492 9.259 5.567 352 HD22 LEU 46 HD22 LEU 46 0.315 8.038 5.078 353 HD23 LEU 46 HD23 LEU 46 0.620 9.438 4.047 354 H GLU 47 HN GLU 47 5.905 6.985 6.120 355 HA GLU 47 HA GLU 47 6.071 4.430 7.285 356 HB2 GLU 47 HB2 GLU 47 8.264 6.542 7.109 357 HB3 GLU 47 HB1 GLU 47 8.520 4.817 7.368 358 HG2 GLU 47 HG2 GLU 47 7.274 5.997 4.867 359 HG3 GLU 47 HG1 GLU 47 8.990 5.660 5.043 360 H VAL 48 HN VAL 48 6.896 7.624 8.641 361 HA VAL 48 HA VAL 48 7.508 6.650 11.236 362 HB VAL 48 HB VAL 48 7.639 9.004 11.928 363 HG11 VAL 48 HG11 VAL 48 9.478 9.691 10.421 364 HG12 VAL 48 HG12 VAL 48 8.962 8.482 9.244 365 HG13 VAL 48 HG13 VAL 48 9.572 7.974 10.818 366 HG21 VAL 48 HG21 VAL 48 7.248 10.864 10.327 367 HG22 VAL 48 HG22 VAL 48 5.763 9.976 10.663 368 HG23 VAL 48 HG23 VAL 48 6.618 9.708 9.145 369 H HIS 49 HN HIS 49 4.561 8.081 9.865 370 HA HIS 49 HA HIS 49 3.131 8.396 12.292 371 HB2 HIS 49 HB2 HIS 49 2.370 8.396 9.370 372 HB3 HIS 49 HB1 HIS 49 1.070 8.260 10.547 373 HD1 HIS 49 HD1 HIS 49 0.109 10.432 11.192 374 HD2 HIS 49 HD2 HIS 49 4.102 10.804 10.124 375 HE1 HIS 49 HE1 HIS 49 0.631 12.881 11.380 376 HE2 HIS 49 HE2 HIS 49 3.021 13.092 10.623 377 H TYR 50 HN TYR 50 2.877 5.805 9.824 378 HA TYR 50 HA TYR 50 1.055 4.300 11.578 379 HB2 TYR 50 HB2 TYR 50 1.877 3.702 8.710 380 HB3 TYR 50 HB1 TYR 50 0.601 2.902 9.614 381 HD1 TYR 50 HD1 TYR 50 -1.357 4.507 10.485 382 HD2 TYR 50 HD2 TYR 50 1.292 5.469 7.268 383 HE1 TYR 50 HE1 TYR 50 -3.000 6.119 9.610 384 HE2 TYR 50 HE2 TYR 50 -0.356 7.064 6.401 385 HH TYR 50 HH TYR 50 -2.841 7.396 6.518 386 H LYS 51 HN LYS 51 4.345 4.490 11.176 387 HA LYS 51 HA LYS 51 6.136 3.239 11.696 388 HB2 LYS 51 HB2 LYS 51 4.026 1.781 13.308 389 HB3 LYS 51 HB1 LYS 51 5.669 1.167 13.269 390 HG2 LYS 51 HG2 LYS 51 5.339 2.499 15.257 391 HG3 LYS 51 HG1 LYS 51 6.507 3.285 14.194 392 HD2 LYS 51 HD2 LYS 51 4.767 4.861 13.437 393 HD3 LYS 51 HD1 LYS 51 3.572 4.050 14.453 394 HE2 LYS 51 HE2 LYS 51 6.054 5.481 15.448 395 HE3 LYS 51 HE1 LYS 51 4.409 6.116 15.502 396 HZ1 LYS 51 HZ1 LYS 51 3.794 4.333 16.988 397 HZ2 LYS 51 HZ2 LYS 51 5.113 5.173 17.624 398 HZ3 LYS 51 HZ3 LYS 51 5.345 3.664 16.904 399 H ILE 52 HN ILE 52 5.009 2.816 9.191 400 HA ILE 52 HA ILE 52 5.112 -0.110 8.677 401 HB ILE 52 HB ILE 52 3.784 0.348 6.639 402 HG12 ILE 52 HG12 ILE 52 3.713 3.252 7.614 403 HG13 ILE 52 HG11 ILE 52 4.543 2.677 6.171 404 HG21 ILE 52 HG21 ILE 52 2.530 1.447 9.178 405 HG22 ILE 52 HG22 ILE 52 2.621 -0.251 8.709 406 HG23 ILE 52 HG23 ILE 52 1.639 0.871 7.765 407 HD11 ILE 52 HD11 ILE 52 1.561 2.693 6.629 408 HD12 ILE 52 HD12 ILE 52 2.373 2.076 5.186 409 HD13 ILE 52 HD13 ILE 52 2.482 3.787 5.599 410 H LYS 53 HN LYS 53 5.723 -0.434 6.204 411 HA LYS 53 HA LYS 53 8.086 1.156 5.487 412 HB2 LYS 53 HB2 LYS 53 8.657 -0.846 7.048 413 HB3 LYS 53 HB1 LYS 53 8.227 -1.888 5.700 414 HG2 LYS 53 HG2 LYS 53 10.407 0.226 5.581 415 HG3 LYS 53 HG1 LYS 53 10.697 -1.455 6.031 416 HD2 LYS 53 HD2 LYS 53 9.858 -2.162 3.778 417 HD3 LYS 53 HD1 LYS 53 9.658 -0.462 3.346 418 HE2 LYS 53 HE2 LYS 53 11.750 -1.362 2.431 419 HE3 LYS 53 HE1 LYS 53 12.077 -0.100 3.619 420 HZ1 LYS 53 HZ1 LYS 53 12.199 -3.016 4.147 421 HZ2 LYS 53 HZ2 LYS 53 12.572 -1.785 5.247 422 HZ3 LYS 53 HZ3 LYS 53 13.529 -2.015 3.874 423 H PHE 54 HN PHE 54 7.269 1.840 3.539 424 HA PHE 54 HA PHE 54 6.158 0.011 1.583 425 HB2 PHE 54 HB2 PHE 54 7.078 2.911 1.305 426 HB3 PHE 54 HB1 PHE 54 6.312 1.981 0.024 427 HD1 PHE 54 HD2 PHE 54 4.008 0.734 0.982 428 HD2 PHE 54 HD1 PHE 54 5.632 4.464 2.302 429 HE1 PHE 54 HE2 PHE 54 1.778 1.455 1.728 430 HE2 PHE 54 HE1 PHE 54 3.403 5.163 3.041 431 HZ PHE 54 HZ PHE 54 1.473 3.667 2.750 432 H ALA 55 HN ALA 55 7.261 -1.055 0.089 433 HA ALA 55 HA ALA 55 10.165 -0.805 -0.186 434 HB1 ALA 55 HB1 ALA 55 8.199 -2.853 -1.292 435 HB2 ALA 55 HB2 ALA 55 9.212 -3.066 0.134 436 HB3 ALA 55 HB3 ALA 55 9.956 -2.927 -1.459 437 H LEU 56 HN LEU 56 11.090 -0.366 -2.312 438 HA LEU 56 HA LEU 56 9.815 1.506 -3.958 439 HB2 LEU 56 HB2 LEU 56 12.345 0.887 -3.726 440 HB3 LEU 56 HB1 LEU 56 12.049 -0.346 -4.925 441 HG LEU 56 HG LEU 56 13.114 1.808 -5.762 442 HD11 LEU 56 HD11 LEU 56 11.869 1.961 -7.849 443 HD12 LEU 56 HD12 LEU 56 10.529 1.063 -7.131 444 HD13 LEU 56 HD13 LEU 56 12.094 0.284 -7.356 445 HD21 LEU 56 HD21 LEU 56 11.733 3.776 -6.113 446 HD22 LEU 56 HD22 LEU 56 11.810 3.374 -4.398 447 HD23 LEU 56 HD23 LEU 56 10.360 2.987 -5.330 448 H GLY 57 HN GLY 57 9.803 -2.033 -4.117 449 HA2 GLY 57 HA2 GLY 57 8.599 -2.443 -6.632 450 HA3 GLY 57 HA1 GLY 57 8.446 -3.506 -5.239 451 H GLU 58 HN GLU 58 7.190 -1.702 -3.481 452 HA GLU 58 HA GLU 58 4.437 -1.823 -4.339 453 HB2 GLU 58 HB2 GLU 58 5.610 -0.619 -1.788 454 HB3 GLU 58 HB1 GLU 58 3.916 -1.028 -2.064 455 HG2 GLU 58 HG2 GLU 58 4.555 -3.421 -2.290 456 HG3 GLU 58 HG1 GLU 58 6.228 -2.994 -1.937 457 H LEU 59 HN LEU 59 6.929 0.634 -4.164 458 HA LEU 59 HA LEU 59 5.311 2.936 -4.624 459 HB2 LEU 59 HB2 LEU 59 8.244 2.289 -4.823 460 HB3 LEU 59 HB1 LEU 59 7.696 3.714 -5.670 461 HG LEU 59 HG LEU 59 8.683 4.114 -3.359 462 HD11 LEU 59 HD11 LEU 59 7.332 5.792 -4.471 463 HD12 LEU 59 HD12 LEU 59 7.051 5.815 -2.734 464 HD13 LEU 59 HD13 LEU 59 5.855 5.087 -3.810 465 HD21 LEU 59 HD21 LEU 59 7.686 2.213 -2.170 466 HD22 LEU 59 HD22 LEU 59 6.074 2.904 -2.374 467 HD23 LEU 59 HD23 LEU 59 7.281 3.737 -1.388 468 H GLN 60 HN GLN 60 6.985 0.651 -6.807 469 HA GLN 60 HA GLN 60 6.212 1.714 -9.276 470 HB2 GLN 60 HB2 GLN 60 6.536 -1.223 -8.529 471 HB3 GLN 60 HB1 GLN 60 6.504 -0.602 -10.173 472 HG2 GLN 60 HG2 GLN 60 8.629 0.037 -8.101 473 HG3 GLN 60 HG1 GLN 60 8.778 -1.173 -9.369 474 HE21 GLN 60 HE21 GLN 60 10.573 -0.199 -10.300 475 HE22 GLN 60 HE22 GLN 60 10.500 1.306 -11.146 476 H LYS 61 HN LYS 61 4.224 0.221 -6.876 477 HA LYS 61 HA LYS 61 1.995 -0.295 -8.725 478 HB2 LYS 61 HB2 LYS 61 2.291 -0.841 -5.738 479 HB3 LYS 61 HB1 LYS 61 0.855 -1.226 -6.681 480 HG2 LYS 61 HG2 LYS 61 3.613 -2.454 -6.973 481 HG3 LYS 61 HG1 LYS 61 2.140 -3.232 -6.379 482 HD2 LYS 61 HD2 LYS 61 1.136 -2.763 -8.710 483 HD3 LYS 61 HD1 LYS 61 2.777 -2.351 -9.220 484 HE2 LYS 61 HE2 LYS 61 2.345 -4.646 -9.833 485 HE3 LYS 61 HE1 LYS 61 3.497 -4.655 -8.500 486 HZ1 LYS 61 HZ1 LYS 61 1.788 -6.310 -8.187 487 HZ2 LYS 61 HZ2 LYS 61 0.575 -5.140 -8.276 488 HZ3 LYS 61 HZ3 LYS 61 1.667 -5.132 -6.985 489 H LEU 62 HN LEU 62 3.108 2.453 -7.248 490 HA LEU 62 HA LEU 62 0.453 3.439 -6.376 491 HB2 LEU 62 HB2 LEU 62 3.192 4.742 -6.022 492 HB3 LEU 62 HB1 LEU 62 1.671 5.324 -5.352 493 HG LEU 62 HG LEU 62 3.152 2.782 -4.571 494 HD11 LEU 62 HD11 LEU 62 2.591 5.287 -2.958 495 HD12 LEU 62 HD12 LEU 62 4.145 4.808 -3.647 496 HD13 LEU 62 HD13 LEU 62 3.411 3.829 -2.382 497 HD21 LEU 62 HD21 LEU 62 1.390 2.432 -2.870 498 HD22 LEU 62 HD22 LEU 62 0.772 2.307 -4.514 499 HD23 LEU 62 HD23 LEU 62 0.460 3.765 -3.567 500 H LYS 63 HN LYS 63 -0.531 3.797 -8.363 501 HA LYS 63 HA LYS 63 0.644 5.799 -10.201 502 HB2 LYS 63 HB2 LYS 63 -0.263 3.478 -10.981 503 HB3 LYS 63 HB1 LYS 63 -1.867 4.135 -10.718 504 HG2 LYS 63 HG2 LYS 63 0.148 5.460 -12.554 505 HG3 LYS 63 HG1 LYS 63 -0.915 4.171 -13.113 506 HD2 LYS 63 HD2 LYS 63 -2.887 5.539 -12.658 507 HD3 LYS 63 HD1 LYS 63 -1.897 6.797 -11.919 508 HE2 LYS 63 HE2 LYS 63 -0.799 7.206 -14.102 509 HE3 LYS 63 HE1 LYS 63 -1.804 5.956 -14.840 510 HZ1 LYS 63 HZ1 LYS 63 -2.794 8.451 -13.582 511 HZ2 LYS 63 HZ2 LYS 63 -3.751 7.268 -14.317 512 HZ3 LYS 63 HZ3 LYS 63 -2.665 8.168 -15.242 513 H ASN 64 HN ASN 64 -2.042 5.186 -8.014 514 HA ASN 64 HA ASN 64 -2.719 8.077 -8.081 515 HB2 ASN 64 HB2 ASN 64 -4.754 5.767 -8.001 516 HB3 ASN 64 HB1 ASN 64 -5.159 7.454 -7.714 517 HD21 ASN 64 HD21 ASN 64 -6.236 5.659 -9.696 518 HD22 ASN 64 HD22 ASN 64 -5.913 6.367 -11.238 519 H VAL 65 HN VAL 65 -3.953 8.689 -6.092 520 HA VAL 65 HA VAL 65 -2.878 7.768 -3.644 521 HB VAL 65 HB VAL 65 -5.482 9.335 -3.961 522 HG11 VAL 65 HG11 VAL 65 -5.090 8.462 -1.679 523 HG12 VAL 65 HG12 VAL 65 -4.979 10.222 -1.715 524 HG13 VAL 65 HG13 VAL 65 -3.508 9.247 -1.644 525 HG21 VAL 65 HG21 VAL 65 -3.697 10.471 -5.213 526 HG22 VAL 65 HG22 VAL 65 -2.671 10.453 -3.777 527 HG23 VAL 65 HG23 VAL 65 -4.164 11.398 -3.784 528 H GLY 66 HN GLY 66 -5.529 6.684 -5.613 529 HA2 GLY 66 HA2 GLY 66 -7.016 5.204 -3.687 530 HA3 GLY 66 HA1 GLY 66 -7.002 4.936 -5.426 531 H ASP 67 HN ASP 67 -4.343 4.346 -5.917 532 HA ASP 67 HA ASP 67 -3.934 1.673 -5.101 533 HB2 ASP 67 HB2 ASP 67 -1.916 3.711 -6.173 534 HB3 ASP 67 HB1 ASP 67 -1.571 1.993 -5.974 535 H LEU 68 HN LEU 68 -2.587 4.740 -3.922 536 HA LEU 68 HA LEU 68 -0.932 3.627 -1.897 537 HB2 LEU 68 HB2 LEU 68 -0.622 5.897 -2.865 538 HB3 LEU 68 HB1 LEU 68 -2.108 6.423 -2.095 539 HG LEU 68 HG LEU 68 -1.083 6.070 0.148 540 HD11 LEU 68 HD11 LEU 68 1.475 5.393 -1.350 541 HD12 LEU 68 HD12 LEU 68 0.505 4.273 -0.390 542 HD13 LEU 68 HD13 LEU 68 1.319 5.623 0.393 543 HD21 LEU 68 HD21 LEU 68 0.557 7.864 -1.670 544 HD22 LEU 68 HD22 LEU 68 0.457 7.979 0.090 545 HD23 LEU 68 HD23 LEU 68 -0.973 8.285 -0.892 546 H ALA 69 HN ALA 69 -4.333 4.487 -1.971 547 HA ALA 69 HA ALA 69 -4.829 4.449 0.846 548 HB1 ALA 69 HB1 ALA 69 -7.211 4.351 0.233 549 HB2 ALA 69 HB2 ALA 69 -6.777 4.006 -1.444 550 HB3 ALA 69 HB3 ALA 69 -6.365 5.564 -0.732 551 H ASP 70 HN ASP 70 -5.069 2.072 -1.768 552 HA ASP 70 HA ASP 70 -5.914 -0.164 -0.249 553 HB2 ASP 70 HB2 ASP 70 -4.207 -0.127 -2.774 554 HB3 ASP 70 HB1 ASP 70 -4.946 -1.571 -2.083 555 H LEU 71 HN LEU 71 -2.707 1.113 -1.086 556 HA LEU 71 HA LEU 71 -1.182 -1.064 -0.129 557 HB2 LEU 71 HB2 LEU 71 -0.602 1.228 -1.605 558 HB3 LEU 71 HB1 LEU 71 0.203 1.584 -0.098 559 HG LEU 71 HG LEU 71 1.855 0.619 -1.522 560 HD11 LEU 71 HD11 LEU 71 1.986 -0.214 0.761 561 HD12 LEU 71 HD12 LEU 71 2.574 -1.411 -0.389 562 HD13 LEU 71 HD13 LEU 71 0.975 -1.598 0.339 563 HD21 LEU 71 HD21 LEU 71 -0.049 -1.671 -2.112 564 HD22 LEU 71 HD22 LEU 71 1.606 -1.513 -2.712 565 HD23 LEU 71 HD23 LEU 71 0.379 -0.354 -3.208 566 H VAL 72 HN VAL 72 -1.853 2.130 1.351 567 HA VAL 72 HA VAL 72 -0.692 1.720 3.864 568 HB VAL 72 HB VAL 72 -3.051 3.504 3.088 569 HG11 VAL 72 HG11 VAL 72 -1.452 3.528 5.686 570 HG12 VAL 72 HG12 VAL 72 -3.158 3.110 5.519 571 HG13 VAL 72 HG13 VAL 72 -2.622 4.763 5.211 572 HG21 VAL 72 HG21 VAL 72 -0.918 4.078 1.952 573 HG22 VAL 72 HG22 VAL 72 -0.111 4.187 3.517 574 HG23 VAL 72 HG23 VAL 72 -1.383 5.336 3.102 575 H ASP 73 HN ASP 73 -3.951 0.909 2.642 576 HA ASP 73 HA ASP 73 -5.103 0.063 5.103 577 HB2 ASP 73 HB2 ASP 73 -6.374 0.617 2.973 578 HB3 ASP 73 HB1 ASP 73 -5.851 -0.928 2.314 579 H LYS 74 HN LYS 74 -3.220 -1.577 2.669 580 HA LYS 74 HA LYS 74 -3.442 -4.251 3.669 581 HB2 LYS 74 HB2 LYS 74 -1.294 -2.971 1.940 582 HB3 LYS 74 HB1 LYS 74 -1.340 -4.690 2.307 583 HG2 LYS 74 HG2 LYS 74 -3.453 -3.135 0.780 584 HG3 LYS 74 HG1 LYS 74 -2.247 -4.214 0.075 585 HD2 LYS 74 HD2 LYS 74 -4.447 -5.060 2.013 586 HD3 LYS 74 HD1 LYS 74 -4.513 -5.252 0.261 587 HE2 LYS 74 HE2 LYS 74 -2.522 -6.735 0.366 588 HE3 LYS 74 HE1 LYS 74 -2.509 -6.571 2.125 589 HZ1 LYS 74 HZ1 LYS 74 -3.595 -8.596 1.429 590 HZ2 LYS 74 HZ2 LYS 74 -4.710 -7.726 0.506 591 HZ3 LYS 74 HZ3 LYS 74 -4.700 -7.569 2.188 592 H LYS 75 HN LYS 75 -1.240 -1.567 4.305 593 HA LYS 75 HA LYS 75 0.574 -2.963 6.023 594 HB2 LYS 75 HB2 LYS 75 -0.057 0.013 5.764 595 HB3 LYS 75 HB1 LYS 75 1.300 -0.657 6.667 596 HG2 LYS 75 HG2 LYS 75 0.878 -0.884 3.671 597 HG3 LYS 75 HG1 LYS 75 1.993 0.223 4.478 598 HD2 LYS 75 HD2 LYS 75 3.268 -1.705 5.367 599 HD3 LYS 75 HD1 LYS 75 2.142 -2.819 4.582 600 HE2 LYS 75 HE2 LYS 75 2.828 -1.937 2.373 601 HE3 LYS 75 HE1 LYS 75 3.955 -0.834 3.170 602 HZ1 LYS 75 HZ1 LYS 75 4.059 -3.788 3.388 603 HZ2 LYS 75 HZ2 LYS 75 5.188 -2.685 3.997 604 HZ3 LYS 75 HZ3 LYS 75 4.999 -2.866 2.328 605 H LEU 76 HN LEU 76 -2.381 -1.082 6.504 606 HA LEU 76 HA LEU 76 -2.340 -1.117 9.372 607 HB2 LEU 76 HB2 LEU 76 -4.634 -0.512 7.470 608 HB3 LEU 76 HB1 LEU 76 -4.662 -0.235 9.206 609 HG LEU 76 HG LEU 76 -2.952 1.211 7.152 610 HD11 LEU 76 HD11 LEU 76 -4.197 3.214 7.813 611 HD12 LEU 76 HD12 LEU 76 -5.198 2.247 8.903 612 HD13 LEU 76 HD13 LEU 76 -5.258 1.965 7.159 613 HD21 LEU 76 HD21 LEU 76 -2.884 1.543 10.170 614 HD22 LEU 76 HD22 LEU 76 -2.080 2.594 9.000 615 HD23 LEU 76 HD23 LEU 76 -1.591 0.910 9.143 616 H ALA 77 HN ALA 77 -3.553 -3.233 6.872 617 HA ALA 77 HA ALA 77 -5.086 -5.000 8.455 618 HB1 ALA 77 HB1 ALA 77 -4.724 -6.657 6.661 619 HB2 ALA 77 HB2 ALA 77 -3.443 -5.650 5.981 620 HB3 ALA 77 HB3 ALA 77 -5.109 -5.071 5.985 621 H ARG 78 HN ARG 78 -1.613 -4.903 7.654 622 HA ARG 78 HA ARG 78 -0.846 -7.232 9.137 623 HB2 ARG 78 HB2 ARG 78 0.946 -4.873 8.376 624 HB3 ARG 78 HB1 ARG 78 1.472 -6.505 8.801 625 HG2 ARG 78 HG2 ARG 78 -0.039 -5.648 6.317 626 HG3 ARG 78 HG1 ARG 78 1.633 -6.204 6.405 627 HD2 ARG 78 HD2 ARG 78 0.880 -8.450 7.021 628 HD3 ARG 78 HD1 ARG 78 -0.801 -7.907 7.080 629 HE ARG 78 HE ARG 78 0.684 -7.654 4.553 630 HH11 ARG 78 HH11 ARG 78 -1.847 -9.324 6.334 631 HH12 ARG 78 HH12 ARG 78 -2.559 -9.999 4.905 632 HH21 ARG 78 HH21 ARG 78 -0.255 -8.542 2.711 633 HH22 ARG 78 HH22 ARG 78 -1.645 -9.569 2.851 634 H LYS 79 HN LYS 79 -1.192 -3.838 9.948 635 HA LYS 79 HA LYS 79 0.136 -3.951 12.509 636 HB2 LYS 79 HB2 LYS 79 -1.531 -1.852 11.077 637 HB3 LYS 79 HB1 LYS 79 -1.198 -1.660 12.792 638 HG2 LYS 79 HG2 LYS 79 0.903 -1.875 10.609 639 HG3 LYS 79 HG1 LYS 79 0.386 -0.384 11.412 640 HD2 LYS 79 HD2 LYS 79 1.153 -1.352 13.602 641 HD3 LYS 79 HD1 LYS 79 1.753 -2.767 12.732 642 HE2 LYS 79 HE2 LYS 79 2.728 0.086 12.402 643 HE3 LYS 79 HE1 LYS 79 3.570 -1.220 13.233 644 HZ1 LYS 79 HZ1 LYS 79 2.897 -1.174 10.346 645 HZ2 LYS 79 HZ2 LYS 79 3.721 -2.412 11.150 646 HZ3 LYS 79 HZ3 LYS 79 4.422 -0.885 11.009 647 H LEU 80 HN LEU 80 -3.244 -3.443 11.579 648 HA LEU 80 HA LEU 80 -5.234 -3.642 12.499 649 HB2 LEU 80 HB2 LEU 80 -4.307 -6.095 12.703 650 HB3 LEU 80 HB1 LEU 80 -4.242 -5.762 14.420 651 HG LEU 80 HG LEU 80 -6.269 -7.015 13.722 652 HD11 LEU 80 HD11 LEU 80 -6.386 -5.717 15.773 653 HD12 LEU 80 HD12 LEU 80 -7.945 -5.754 14.957 654 HD13 LEU 80 HD13 LEU 80 -6.940 -4.304 14.869 655 HD21 LEU 80 HD21 LEU 80 -7.049 -4.519 12.195 656 HD22 LEU 80 HD22 LEU 80 -8.070 -5.939 12.453 657 HD23 LEU 80 HD23 LEU 80 -6.595 -6.077 11.497 658 H GLU 81 HN GLU 81 -3.018 -4.128 15.263 659 HA GLU 81 HA GLU 81 -2.375 -2.864 16.970 660 HB2 GLU 81 HB2 GLU 81 -3.934 -0.674 15.556 661 HB3 GLU 81 HB1 GLU 81 -3.101 -0.395 17.078 662 HG2 GLU 81 HG2 GLU 81 -1.838 -1.189 14.434 663 HG3 GLU 81 HG1 GLU 81 -1.742 0.387 15.218 664 H HIS 82 HN HIS 82 -3.499 -1.228 18.717 665 HA HIS 82 HA HIS 82 -5.136 -3.146 20.134 666 HB2 HIS 82 HB2 HIS 82 -4.146 -0.445 21.153 667 HB3 HIS 82 HB1 HIS 82 -4.650 -1.834 22.117 668 HD1 HIS 82 HD1 HIS 82 -2.991 -4.087 21.287 669 HD2 HIS 82 HD2 HIS 82 -1.459 -0.229 21.237 670 HE1 HIS 82 HE1 HIS 82 -0.497 -4.354 21.289 671 HE2 HIS 82 HE2 HIS 82 0.403 -2.013 21.362 672 H HIS 83 HN HIS 83 -7.052 -2.949 18.825 673 HA HIS 83 HA HIS 83 -8.702 -0.569 18.997 674 HB2 HIS 83 HB2 HIS 83 -9.409 -3.443 18.223 675 HB3 HIS 83 HB1 HIS 83 -10.509 -2.073 18.093 676 HD1 HIS 83 HD1 HIS 83 -10.137 -3.476 15.565 677 HD2 HIS 83 HD2 HIS 83 -7.460 -0.542 16.776 678 HE1 HIS 83 HE1 HIS 83 -9.047 -2.650 13.453 679 HE2 HIS 83 HE2 HIS 83 -7.267 -1.058 14.255 680 H HIS 84 HN HIS 84 -8.280 -3.595 20.665 681 HA HIS 84 HA HIS 84 -10.156 -2.868 22.833 682 HB2 HIS 84 HB2 HIS 84 -10.684 -4.936 21.402 683 HB3 HIS 84 HB1 HIS 84 -9.214 -5.666 22.031 684 HD1 HIS 84 HD1 HIS 84 -9.602 -7.125 24.018 685 HD2 HIS 84 HD2 HIS 84 -12.579 -4.257 23.607 686 HE1 HIS 84 HE1 HIS 84 -11.273 -7.624 25.824 687 HE2 HIS 84 HE2 HIS 84 -13.133 -5.957 25.464 688 H HIS 85 HN HIS 85 -9.398 -3.930 24.987 689 HA HIS 85 HA HIS 85 -6.845 -2.873 25.641 690 HB2 HIS 85 HB2 HIS 85 -7.286 -3.601 27.936 691 HB3 HIS 85 HB1 HIS 85 -8.714 -2.855 27.245 692 HD1 HIS 85 HD1 HIS 85 -10.777 -4.023 27.884 693 HD2 HIS 85 HD2 HIS 85 -7.559 -6.642 27.715 694 HE1 HIS 85 HE1 HIS 85 -11.658 -6.230 28.691 695 HE2 HIS 85 HE2 HIS 85 -9.660 -7.762 28.708 696 H HIS 86 HN HIS 86 -5.199 -4.128 26.971 697 HA HIS 86 HA HIS 86 -4.102 -6.184 25.227 698 HB2 HIS 86 HB2 HIS 86 -2.939 -4.891 27.737 699 HB3 HIS 86 HB1 HIS 86 -2.065 -5.981 26.666 700 HD1 HIS 86 HD1 HIS 86 -0.370 -4.533 25.590 701 HD2 HIS 86 HD2 HIS 86 -4.101 -2.708 25.631 702 HE1 HIS 86 HE1 HIS 86 -0.075 -2.376 24.361 703 HE2 HIS 86 HE2 HIS 86 -2.259 -1.173 24.669 704 H HIS 87 HN HIS 87 -2.844 -7.992 26.374 705 HA HIS 87 HA HIS 87 -3.103 -10.128 26.957 706 HB2 HIS 87 HB2 HIS 87 -3.234 -10.508 29.456 707 HB3 HIS 87 HB1 HIS 87 -1.990 -9.403 28.923 708 HD1 HIS 87 HD1 HIS 87 -2.070 -7.010 29.785 709 HD2 HIS 87 HD2 HIS 87 -5.292 -9.318 31.031 710 HE1 HIS 87 HE1 HIS 87 -3.197 -5.678 31.590 711 HE2 HIS 87 HE2 HIS 87 -5.208 -7.044 32.256 712 H282 PNS 88 H282 PNS 88 6.342 13.705 -10.270 713 H281 PNS 88 H281 PNS 88 6.543 13.794 -12.024 714 H303 PNS 88 H303 PNS 88 3.122 12.280 -11.365 715 H302 PNS 88 H302 PNS 88 3.926 13.571 -10.470 716 H301 PNS 88 H301 PNS 88 3.933 13.594 -12.237 717 H313 PNS 88 H313 PNS 88 6.154 10.570 -10.129 718 H312 PNS 88 H312 PNS 88 5.178 11.732 -9.229 719 H311 PNS 88 H311 PNS 88 4.391 10.509 -10.227 720 H32 PNS 88 H32 PNS 88 5.911 11.993 -13.466 721 H33 PNS 88 H33 PNS 88 5.993 9.464 -13.011 722 H36 PNS 88 H36 PNS 88 3.681 9.724 -11.657 723 H372 PNS 88 H372 PNS 88 1.451 10.253 -13.362 724 H371 PNS 88 H371 PNS 88 2.271 8.775 -13.866 725 H382 PNS 88 H382 PNS 88 0.435 8.198 -12.413 726 H381 PNS 88 H381 PNS 88 1.953 7.851 -11.583 727 H41 PNS 88 H41 PNS 88 2.031 8.477 -9.514 728 H422 PNS 88 H422 PNS 88 1.921 10.042 -7.740 729 H421 PNS 88 H421 PNS 88 0.630 10.893 -8.570 730 H431 PNS 88 H431 PNS 88 -0.809 8.838 -8.150 731 H432 PNS 88 H432 PNS 88 -0.434 9.827 -6.745 732 H44 PNS 88 H44 PNS 88 -0.143 6.688 -6.929 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -14.576 3.036 4.244 2 H2 MET 1 HT2 MET 1 -14.331 2.956 5.906 3 H3 MET 1 HT3 MET 1 -14.218 1.555 4.972 4 HA MET 1 HA MET 1 -12.047 2.363 5.612 5 HB2 MET 1 HB2 MET 1 -12.319 2.933 2.634 6 HB3 MET 1 HB1 MET 1 -11.001 2.129 3.483 7 HG2 MET 1 HG2 MET 1 -13.755 0.991 2.949 8 HG3 MET 1 HG1 MET 1 -12.258 0.538 2.135 9 HE1 MET 1 HE1 MET 1 -10.071 0.045 4.265 10 HE2 MET 1 HE2 MET 1 -10.531 -1.174 3.076 11 HE3 MET 1 HE3 MET 1 -10.405 -1.607 4.782 12 HA PRO 2 HA PRO 2 -12.228 6.980 5.511 13 HB2 PRO 2 HB2 PRO 2 -11.414 7.457 8.004 14 HB3 PRO 2 HB1 PRO 2 -12.983 6.679 7.737 15 HG2 PRO 2 HG2 PRO 2 -10.403 5.470 8.663 16 HG3 PRO 2 HG1 PRO 2 -12.066 5.028 9.093 17 HD2 PRO 2 HD2 PRO 2 -10.386 3.815 7.068 18 HD3 PRO 2 HD1 PRO 2 -12.079 3.414 7.452 19 H THR 3 HN THR 3 -10.108 5.354 4.351 20 HA THR 3 HA THR 3 -7.563 5.800 5.466 21 HB THR 3 HB THR 3 -7.957 5.205 2.510 22 HG1 THR 3 HG1 THR 3 -8.165 2.926 3.503 23 HG21 THR 3 HG21 THR 3 -5.640 5.270 3.398 24 HG22 THR 3 HG22 THR 3 -6.082 3.639 2.895 25 HG23 THR 3 HG23 THR 3 -6.060 4.053 4.610 26 H LEU 4 HN LEU 4 -8.970 7.084 2.423 27 HA LEU 4 HA LEU 4 -7.039 9.015 1.827 28 HB2 LEU 4 HB2 LEU 4 -10.018 9.075 1.164 29 HB3 LEU 4 HB1 LEU 4 -8.801 10.094 0.410 30 HG LEU 4 HG LEU 4 -9.020 7.066 0.146 31 HD11 LEU 4 HD11 LEU 4 -9.518 7.520 -2.219 32 HD12 LEU 4 HD12 LEU 4 -9.452 9.259 -1.915 33 HD13 LEU 4 HD13 LEU 4 -10.710 8.275 -1.161 34 HD21 LEU 4 HD21 LEU 4 -6.969 8.943 -1.072 35 HD22 LEU 4 HD22 LEU 4 -7.152 7.228 -1.450 36 HD23 LEU 4 HD23 LEU 4 -6.664 7.721 0.169 37 H ASP 5 HN ASP 5 -9.914 9.189 3.866 38 HA ASP 5 HA ASP 5 -10.034 11.948 4.391 39 HB2 ASP 5 HB2 ASP 5 -11.882 10.411 4.893 40 HB3 ASP 5 HB1 ASP 5 -10.898 9.568 6.085 41 H ALA 6 HN ALA 6 -8.408 9.349 6.183 42 HA ALA 6 HA ALA 6 -7.202 10.999 8.182 43 HB1 ALA 6 HB1 ALA 6 -5.913 8.977 8.757 44 HB2 ALA 6 HB2 ALA 6 -6.455 8.198 7.265 45 HB3 ALA 6 HB3 ALA 6 -7.621 8.596 8.529 46 H LEU 7 HN LEU 7 -6.273 9.964 4.977 47 HA LEU 7 HA LEU 7 -3.475 10.609 5.195 48 HB2 LEU 7 HB2 LEU 7 -5.197 9.933 2.778 49 HB3 LEU 7 HB1 LEU 7 -3.464 10.186 2.708 50 HG LEU 7 HG LEU 7 -4.880 7.920 4.165 51 HD11 LEU 7 HD11 LEU 7 -3.170 7.854 1.656 52 HD12 LEU 7 HD12 LEU 7 -4.924 7.655 1.732 53 HD13 LEU 7 HD13 LEU 7 -3.872 6.455 2.478 54 HD21 LEU 7 HD21 LEU 7 -2.879 8.550 5.405 55 HD22 LEU 7 HD22 LEU 7 -1.903 8.458 3.935 56 HD23 LEU 7 HD23 LEU 7 -2.638 6.997 4.605 57 H THR 8 HN THR 8 -6.400 12.363 4.224 58 HA THR 8 HA THR 8 -5.339 14.130 2.344 59 HB THR 8 HB THR 8 -7.678 14.666 4.221 60 HG1 THR 8 HG1 THR 8 -7.386 12.971 2.211 61 HG21 THR 8 HG21 THR 8 -8.459 16.288 2.521 62 HG22 THR 8 HG22 THR 8 -6.974 16.052 1.596 63 HG23 THR 8 HG23 THR 8 -6.909 16.793 3.198 64 HA PRO 9 HA PRO 9 -4.252 17.356 5.950 65 HB2 PRO 9 HB2 PRO 9 -3.762 15.436 8.221 66 HB3 PRO 9 HB1 PRO 9 -4.450 17.066 8.256 67 HG2 PRO 9 HG2 PRO 9 -6.027 14.950 8.551 68 HG3 PRO 9 HG1 PRO 9 -6.572 16.325 7.559 69 HD2 PRO 9 HD2 PRO 9 -5.404 13.676 6.666 70 HD3 PRO 9 HD1 PRO 9 -6.812 14.554 6.023 71 H ILE 10 HN ILE 10 -2.871 14.084 5.777 72 HA ILE 10 HA ILE 10 -0.165 14.770 6.418 73 HB ILE 10 HB ILE 10 -1.102 12.380 4.757 74 HG12 ILE 10 HG12 ILE 10 -2.218 12.437 7.005 75 HG13 ILE 10 HG11 ILE 10 -1.157 11.050 6.815 76 HG21 ILE 10 HG21 ILE 10 1.033 11.305 5.513 77 HG22 ILE 10 HG22 ILE 10 1.514 12.829 6.257 78 HG23 ILE 10 HG23 ILE 10 1.301 12.732 4.509 79 HD11 ILE 10 HD11 ILE 10 -1.012 12.033 9.034 80 HD12 ILE 10 HD12 ILE 10 -0.482 13.564 8.341 81 HD13 ILE 10 HD13 ILE 10 0.532 12.125 8.191 82 H PHE 11 HN PHE 11 -1.943 14.351 3.351 83 HA PHE 11 HA PHE 11 0.246 14.922 1.599 84 HB2 PHE 11 HB2 PHE 11 -2.770 14.897 1.166 85 HB3 PHE 11 HB1 PHE 11 -1.643 15.287 -0.128 86 HD1 PHE 11 HD1 PHE 11 -1.932 12.584 2.491 87 HD2 PHE 11 HD2 PHE 11 -1.297 13.521 -1.625 88 HE1 PHE 11 HE1 PHE 11 -1.780 10.193 1.970 89 HE2 PHE 11 HE2 PHE 11 -1.147 11.122 -2.128 90 HZ PHE 11 HZ PHE 11 -1.390 9.458 -0.342 91 H ARG 12 HN ARG 12 -2.352 16.910 3.018 92 HA ARG 12 HA ARG 12 -1.693 19.335 1.673 93 HB2 ARG 12 HB2 ARG 12 -3.257 18.757 4.215 94 HB3 ARG 12 HB1 ARG 12 -3.052 20.393 3.585 95 HG2 ARG 12 HG2 ARG 12 -4.155 19.706 1.469 96 HG3 ARG 12 HG1 ARG 12 -4.390 18.084 2.128 97 HD2 ARG 12 HD2 ARG 12 -5.859 18.955 3.864 98 HD3 ARG 12 HD1 ARG 12 -5.543 20.619 3.350 99 HE ARG 12 HE ARG 12 -6.508 19.313 1.130 100 HH11 ARG 12 HH11 ARG 12 -7.801 20.027 4.320 101 HH12 ARG 12 HH12 ARG 12 -9.439 20.105 3.758 102 HH21 ARG 12 HH21 ARG 12 -8.633 19.383 0.426 103 HH22 ARG 12 HH22 ARG 12 -9.910 19.741 1.544 104 H GLN 13 HN GLN 13 -0.348 17.760 4.504 105 HA GLN 13 HA GLN 13 1.173 20.003 5.447 106 HB2 GLN 13 HB2 GLN 13 0.551 18.151 6.955 107 HB3 GLN 13 HB1 GLN 13 1.434 17.004 5.961 108 HG2 GLN 13 HG2 GLN 13 2.679 17.523 7.988 109 HG3 GLN 13 HG1 GLN 13 3.558 18.101 6.574 110 HE21 GLN 13 HE21 GLN 13 3.799 20.338 6.263 111 HE22 GLN 13 HE22 GLN 13 3.462 21.483 7.512 112 H VAL 14 HN VAL 14 2.059 16.979 3.758 113 HA VAL 14 HA VAL 14 4.773 17.495 3.335 114 HB VAL 14 HB VAL 14 2.859 15.642 1.842 115 HG11 VAL 14 HG11 VAL 14 4.752 16.091 0.342 116 HG12 VAL 14 HG12 VAL 14 4.869 14.448 0.971 117 HG13 VAL 14 HG13 VAL 14 5.898 15.720 1.634 118 HG21 VAL 14 HG21 VAL 14 3.158 15.102 4.229 119 HG22 VAL 14 HG22 VAL 14 4.912 15.067 4.021 120 HG23 VAL 14 HG23 VAL 14 3.904 13.862 3.214 121 H PHE 15 HN PHE 15 2.061 17.854 1.045 122 HA PHE 15 HA PHE 15 3.757 19.036 -0.994 123 HB2 PHE 15 HB2 PHE 15 0.755 18.484 -0.958 124 HB3 PHE 15 HB1 PHE 15 1.634 19.122 -2.348 125 HD1 PHE 15 HD1 PHE 15 3.324 17.705 -3.531 126 HD2 PHE 15 HD2 PHE 15 0.900 16.111 -0.390 127 HE1 PHE 15 HE1 PHE 15 3.940 15.424 -4.198 128 HE2 PHE 15 HE2 PHE 15 1.522 13.837 -1.069 129 HZ PHE 15 HZ PHE 15 3.047 13.492 -2.969 130 H ASP 16 HN ASP 16 2.011 20.218 1.696 131 HA ASP 16 HA ASP 16 1.577 22.260 2.533 132 HB2 ASP 16 HB2 ASP 16 3.959 22.692 2.166 133 HB3 ASP 16 HB1 ASP 16 3.669 23.127 0.486 134 H ASP 17 HN ASP 17 -0.615 22.169 1.873 135 HA ASP 17 HA ASP 17 -1.510 24.146 -0.002 136 HB2 ASP 17 HB2 ASP 17 -0.689 22.144 -1.458 137 HB3 ASP 17 HB1 ASP 17 -2.070 21.252 -0.829 138 H ASP 18 HN ASP 18 -4.013 23.794 -0.376 139 HA ASP 18 HA ASP 18 -5.334 22.688 2.045 140 HB2 ASP 18 HB2 ASP 18 -4.938 25.159 2.307 141 HB3 ASP 18 HB1 ASP 18 -5.862 25.446 0.838 142 H SER 19 HN SER 19 -5.401 23.431 -1.349 143 HA SER 19 HA SER 19 -8.227 22.874 -1.761 144 HB2 SER 19 HB2 SER 19 -6.016 23.400 -3.801 145 HB3 SER 19 HB1 SER 19 -7.749 23.364 -4.140 146 HG SER 19 HG SER 19 -7.745 25.060 -2.345 147 H ILE 20 HN ILE 20 -5.303 20.995 -1.674 148 HA ILE 20 HA ILE 20 -6.014 18.933 -3.516 149 HB ILE 20 HB ILE 20 -4.110 18.862 -1.126 150 HG12 ILE 20 HG12 ILE 20 -3.543 19.016 -4.130 151 HG13 ILE 20 HG11 ILE 20 -3.430 20.367 -3.009 152 HG21 ILE 20 HG21 ILE 20 -3.198 16.738 -2.049 153 HG22 ILE 20 HG22 ILE 20 -4.469 16.726 -3.272 154 HG23 ILE 20 HG23 ILE 20 -4.886 16.560 -1.567 155 HD11 ILE 20 HD11 ILE 20 -1.573 19.244 -1.858 156 HD12 ILE 20 HD12 ILE 20 -1.241 19.494 -3.571 157 HD13 ILE 20 HD13 ILE 20 -1.693 17.892 -2.991 158 H VAL 21 HN VAL 21 -7.882 17.881 -3.322 159 HA VAL 21 HA VAL 21 -8.767 16.803 -0.700 160 HB VAL 21 HB VAL 21 -10.499 17.367 -3.175 161 HG11 VAL 21 HG11 VAL 21 -12.422 16.918 -1.688 162 HG12 VAL 21 HG12 VAL 21 -11.321 16.565 -0.356 163 HG13 VAL 21 HG13 VAL 21 -11.351 15.516 -1.774 164 HG21 VAL 21 HG21 VAL 21 -9.762 19.503 -2.191 165 HG22 VAL 21 HG22 VAL 21 -10.338 18.991 -0.602 166 HG23 VAL 21 HG23 VAL 21 -11.490 19.255 -1.915 167 H LEU 22 HN LEU 22 -8.239 14.650 -0.648 168 HA LEU 22 HA LEU 22 -7.016 13.431 -2.890 169 HB2 LEU 22 HB2 LEU 22 -7.918 12.186 -0.271 170 HB3 LEU 22 HB1 LEU 22 -6.909 11.378 -1.470 171 HG LEU 22 HG LEU 22 -6.175 13.794 0.224 172 HD11 LEU 22 HD11 LEU 22 -4.420 12.339 1.091 173 HD12 LEU 22 HD12 LEU 22 -4.973 11.016 0.064 174 HD13 LEU 22 HD13 LEU 22 -6.012 11.633 1.353 175 HD21 LEU 22 HD21 LEU 22 -4.562 12.574 -2.053 176 HD22 LEU 22 HD22 LEU 22 -3.984 13.798 -0.919 177 HD23 LEU 22 HD23 LEU 22 -5.293 14.184 -2.030 178 H THR 23 HN THR 23 -7.770 12.215 -4.425 179 HA THR 23 HA THR 23 -10.378 10.836 -4.187 180 HB THR 23 HB THR 23 -10.783 11.187 -6.590 181 HG1 THR 23 HG1 THR 23 -9.086 12.991 -7.381 182 HG21 THR 23 HG21 THR 23 -10.100 13.854 -5.281 183 HG22 THR 23 HG22 THR 23 -11.632 12.988 -5.115 184 HG23 THR 23 HG23 THR 23 -11.146 13.629 -6.686 185 H ARG 24 HN ARG 24 -10.411 8.944 -5.664 186 HA ARG 24 HA ARG 24 -8.178 7.256 -5.388 187 HB2 ARG 24 HB2 ARG 24 -10.566 6.925 -7.242 188 HB3 ARG 24 HB1 ARG 24 -9.486 5.642 -6.693 189 HG2 ARG 24 HG2 ARG 24 -10.259 5.945 -4.378 190 HG3 ARG 24 HG1 ARG 24 -11.294 7.288 -4.878 191 HD2 ARG 24 HD2 ARG 24 -12.538 5.663 -6.362 192 HD3 ARG 24 HD1 ARG 24 -11.578 4.360 -5.651 193 HE ARG 24 HE ARG 24 -13.345 6.118 -4.045 194 HH11 ARG 24 HH11 ARG 24 -12.136 2.903 -4.755 195 HH12 ARG 24 HH12 ARG 24 -13.199 2.133 -3.623 196 HH21 ARG 24 HH21 ARG 24 -14.701 5.116 -2.551 197 HH22 ARG 24 HH22 ARG 24 -14.679 3.391 -2.390 198 H GLU 25 HN GLU 25 -8.801 9.677 -7.753 199 HA GLU 25 HA GLU 25 -6.939 8.491 -9.726 200 HB2 GLU 25 HB2 GLU 25 -7.984 10.070 -11.359 201 HB3 GLU 25 HB1 GLU 25 -9.131 8.925 -10.667 202 HG2 GLU 25 HG2 GLU 25 -9.962 10.659 -9.122 203 HG3 GLU 25 HG1 GLU 25 -8.813 11.820 -9.796 204 H THR 26 HN THR 26 -7.018 10.842 -7.257 205 HA THR 26 HA THR 26 -5.455 12.946 -8.257 206 HB THR 26 HB THR 26 -5.409 11.734 -5.449 207 HG1 THR 26 HG1 THR 26 -7.163 13.360 -6.777 208 HG21 THR 26 HG21 THR 26 -4.434 14.469 -6.360 209 HG22 THR 26 HG22 THR 26 -3.414 13.146 -5.780 210 HG23 THR 26 HG23 THR 26 -4.557 13.922 -4.684 211 H SER 27 HN SER 27 -3.246 13.189 -8.646 212 HA SER 27 HA SER 27 -1.200 11.310 -7.966 213 HB2 SER 27 HB2 SER 27 -0.805 10.494 -10.334 214 HB3 SER 27 HB1 SER 27 -2.310 9.894 -9.634 215 HG SER 27 HG SER 27 -3.377 10.901 -11.119 216 H ALA 28 HN ALA 28 0.779 11.806 -9.731 217 HA ALA 28 HA ALA 28 1.152 14.660 -9.851 218 HB1 ALA 28 HB1 ALA 28 3.247 14.118 -10.995 219 HB2 ALA 28 HB2 ALA 28 2.741 12.431 -11.122 220 HB3 ALA 28 HB3 ALA 28 3.022 13.148 -9.539 221 H ASN 29 HN ASN 29 -0.912 12.901 -11.664 222 HA ASN 29 HA ASN 29 -0.473 14.358 -14.186 223 HB2 ASN 29 HB2 ASN 29 -0.991 11.900 -14.316 224 HB3 ASN 29 HB1 ASN 29 -2.517 12.190 -13.490 225 HD21 ASN 29 HD21 ASN 29 -1.031 14.187 -16.042 226 HD22 ASN 29 HD22 ASN 29 -2.275 13.924 -17.212 227 H ASP 30 HN ASP 30 -2.786 13.809 -11.539 228 HA ASP 30 HA ASP 30 -4.581 15.943 -12.180 229 HB2 ASP 30 HB2 ASP 30 -5.308 14.039 -10.821 230 HB3 ASP 30 HB1 ASP 30 -4.094 14.389 -9.601 231 H ILE 31 HN ILE 31 -1.554 15.740 -10.414 232 HA ILE 31 HA ILE 31 -1.825 18.528 -9.446 233 HB ILE 31 HB ILE 31 -0.496 16.236 -7.906 234 HG12 ILE 31 HG12 ILE 31 -3.024 17.839 -7.270 235 HG13 ILE 31 HG11 ILE 31 -2.970 16.142 -7.738 236 HG21 ILE 31 HG21 ILE 31 -0.734 19.188 -7.157 237 HG22 ILE 31 HG22 ILE 31 0.752 18.356 -7.620 238 HG23 ILE 31 HG23 ILE 31 -0.070 17.921 -6.123 239 HD11 ILE 31 HD11 ILE 31 -3.359 16.406 -5.364 240 HD12 ILE 31 HD12 ILE 31 -1.861 17.317 -5.187 241 HD13 ILE 31 HD13 ILE 31 -1.810 15.612 -5.646 242 H ASP 32 HN ASP 32 -0.634 19.489 -10.878 243 HA ASP 32 HA ASP 32 1.608 18.464 -12.266 244 HB2 ASP 32 HB2 ASP 32 0.238 20.267 -13.206 245 HB3 ASP 32 HB1 ASP 32 0.673 21.341 -11.881 246 H ALA 33 HN ALA 33 1.337 20.070 -9.177 247 HA ALA 33 HA ALA 33 4.150 20.733 -8.899 248 HB1 ALA 33 HB1 ALA 33 3.530 21.489 -6.651 249 HB2 ALA 33 HB2 ALA 33 1.936 20.744 -6.818 250 HB3 ALA 33 HB3 ALA 33 2.386 22.106 -7.846 251 H TRP 34 HN TRP 34 2.571 17.774 -8.722 252 HA TRP 34 HA TRP 34 3.869 16.662 -6.367 253 HB2 TRP 34 HB2 TRP 34 1.574 15.978 -7.170 254 HB3 TRP 34 HB1 TRP 34 2.317 15.235 -8.568 255 HD1 TRP 34 HD1 TRP 34 4.578 13.439 -7.277 256 HE1 TRP 34 HE1 TRP 34 3.963 11.477 -5.748 257 HE3 TRP 34 HE3 TRP 34 -0.149 14.873 -5.923 258 HZ2 TRP 34 HZ2 TRP 34 1.822 10.630 -4.185 259 HZ3 TRP 34 HZ3 TRP 34 -1.422 13.408 -4.405 260 HH2 TRP 34 HH2 TRP 34 -0.448 11.329 -3.559 261 H ASP 35 HN ASP 35 6.075 17.191 -7.055 262 HA ASP 35 HA ASP 35 7.415 15.573 -9.007 263 HB2 ASP 35 HB2 ASP 35 8.521 17.018 -6.547 264 HB3 ASP 35 HB1 ASP 35 9.508 16.288 -7.813 265 H SER 36 HN SER 36 9.004 13.911 -8.509 266 HA SER 36 HA SER 36 8.013 11.872 -6.805 267 HB2 SER 36 HB2 SER 36 10.384 10.773 -7.391 268 HB3 SER 36 HB1 SER 36 9.056 10.802 -8.540 269 H LEU 37 HN LEU 37 10.355 14.382 -6.370 270 HA LEU 37 HA LEU 37 11.649 13.530 -4.002 271 HB2 LEU 37 HB2 LEU 37 10.896 16.358 -4.873 272 HB3 LEU 37 HB1 LEU 37 11.923 16.000 -3.500 273 HG LEU 37 HG LEU 37 13.385 16.661 -5.241 274 HD11 LEU 37 HD11 LEU 37 14.816 14.738 -5.631 275 HD12 LEU 37 HD12 LEU 37 13.507 13.639 -5.189 276 HD13 LEU 37 HD13 LEU 37 14.189 14.732 -3.982 277 HD21 LEU 37 HD21 LEU 37 12.036 14.727 -7.148 278 HD22 LEU 37 HD22 LEU 37 13.415 15.769 -7.514 279 HD23 LEU 37 HD23 LEU 37 11.849 16.483 -7.140 280 H SER 38 HN SER 38 8.642 15.294 -4.540 281 HA SER 38 HA SER 38 7.947 15.658 -1.767 282 HB2 SER 38 HB2 SER 38 6.190 15.972 -4.240 283 HB3 SER 38 HB1 SER 38 5.926 16.701 -2.652 284 HG SER 38 HG SER 38 8.289 17.499 -3.288 285 H HIS 39 HN HIS 39 7.233 13.379 -4.311 286 HA HIS 39 HA HIS 39 5.135 11.858 -3.224 287 HB2 HIS 39 HB2 HIS 39 5.811 11.706 -5.584 288 HB3 HIS 39 HB1 HIS 39 7.396 11.103 -5.130 289 HD2 HIS 39 HD2 HIS 39 7.559 8.396 -4.644 290 HE1 HIS 39 HE1 HIS 39 3.568 7.563 -5.725 291 HE2 HIS 39 HE2 HIS 39 5.860 6.578 -5.348 292 H MET 40 HN MET 40 8.682 11.454 -3.011 293 HA MET 40 HA MET 40 8.616 9.070 -1.430 294 HB2 MET 40 HB2 MET 40 10.835 11.083 -1.949 295 HB3 MET 40 HB1 MET 40 11.066 9.643 -0.963 296 HG2 MET 40 HG2 MET 40 10.305 9.686 -3.890 297 HG3 MET 40 HG1 MET 40 11.888 9.278 -3.220 298 HE1 MET 40 HE1 MET 40 11.023 5.912 -1.285 299 HE2 MET 40 HE2 MET 40 10.990 7.539 -0.606 300 HE3 MET 40 HE3 MET 40 12.310 7.054 -1.677 301 H ASN 41 HN ASN 41 8.964 12.529 -0.678 302 HA ASN 41 HA ASN 41 9.288 12.425 2.109 303 HB2 ASN 41 HB2 ASN 41 7.868 14.517 0.399 304 HB3 ASN 41 HB1 ASN 41 8.252 14.747 2.104 305 HD21 ASN 41 HD21 ASN 41 9.132 16.254 -0.228 306 HD22 ASN 41 HD22 ASN 41 10.856 16.204 -0.210 307 H LEU 42 HN LEU 42 6.378 12.247 0.110 308 HA LEU 42 HA LEU 42 4.457 12.364 2.185 309 HB2 LEU 42 HB2 LEU 42 4.020 12.837 -0.221 310 HB3 LEU 42 HB1 LEU 42 4.252 11.145 -0.605 311 HG LEU 42 HG LEU 42 1.838 12.059 -0.498 312 HD11 LEU 42 HD11 LEU 42 2.470 9.569 1.109 313 HD12 LEU 42 HD12 LEU 42 2.278 9.672 -0.643 314 HD13 LEU 42 HD13 LEU 42 0.905 9.988 0.410 315 HD21 LEU 42 HD21 LEU 42 0.766 12.148 1.696 316 HD22 LEU 42 HD22 LEU 42 2.057 13.338 1.586 317 HD23 LEU 42 HD23 LEU 42 2.310 11.844 2.496 318 H ILE 43 HN ILE 43 5.876 9.598 0.431 319 HA ILE 43 HA ILE 43 4.368 7.580 1.704 320 HB ILE 43 HB ILE 43 6.810 7.611 -0.053 321 HG12 ILE 43 HG12 ILE 43 5.452 5.971 -1.393 322 HG13 ILE 43 HG11 ILE 43 4.191 6.032 -0.171 323 HG21 ILE 43 HG21 ILE 43 7.180 5.163 0.133 324 HG22 ILE 43 HG22 ILE 43 6.082 5.116 1.516 325 HG23 ILE 43 HG23 ILE 43 7.592 6.024 1.617 326 HD11 ILE 43 HD11 ILE 43 5.078 8.263 -1.982 327 HD12 ILE 43 HD12 ILE 43 3.867 8.421 -0.709 328 HD13 ILE 43 HD13 ILE 43 3.580 7.339 -2.070 329 H VAL 44 HN VAL 44 7.625 8.883 2.473 330 HA VAL 44 HA VAL 44 8.110 7.070 4.617 331 HB VAL 44 HB VAL 44 10.006 8.468 5.224 332 HG11 VAL 44 HG11 VAL 44 11.282 8.344 3.109 333 HG12 VAL 44 HG12 VAL 44 9.774 8.153 2.210 334 HG13 VAL 44 HG13 VAL 44 10.285 6.905 3.350 335 HG21 VAL 44 HG21 VAL 44 9.003 10.493 3.195 336 HG22 VAL 44 HG22 VAL 44 10.556 10.573 4.035 337 HG23 VAL 44 HG23 VAL 44 9.050 10.710 4.945 338 H SER 45 HN SER 45 6.532 10.231 4.432 339 HA SER 45 HA SER 45 6.177 10.681 7.210 340 HB2 SER 45 HB2 SER 45 4.468 11.543 4.845 341 HB3 SER 45 HB1 SER 45 4.152 12.063 6.500 342 HG SER 45 HG SER 45 6.626 12.448 5.167 343 H LEU 46 HN LEU 46 4.265 8.763 4.869 344 HA LEU 46 HA LEU 46 2.160 8.061 6.655 345 HB2 LEU 46 HB2 LEU 46 3.195 6.429 4.299 346 HB3 LEU 46 HB1 LEU 46 1.621 6.273 5.069 347 HG LEU 46 HG LEU 46 2.590 8.620 3.388 348 HD11 LEU 46 HD11 LEU 46 0.839 7.946 1.808 349 HD12 LEU 46 HD12 LEU 46 0.427 6.569 2.834 350 HD13 LEU 46 HD13 LEU 46 2.011 6.653 2.060 351 HD21 LEU 46 HD21 LEU 46 0.329 9.568 3.658 352 HD22 LEU 46 HD22 LEU 46 1.192 9.474 5.189 353 HD23 LEU 46 HD23 LEU 46 -0.066 8.294 4.818 354 H GLU 47 HN GLU 47 5.292 6.619 5.896 355 HA GLU 47 HA GLU 47 5.037 4.194 7.299 356 HB2 GLU 47 HB2 GLU 47 7.494 5.790 6.488 357 HB3 GLU 47 HB1 GLU 47 7.573 4.170 7.179 358 HG2 GLU 47 HG2 GLU 47 6.226 3.311 5.278 359 HG3 GLU 47 HG1 GLU 47 6.197 4.931 4.586 360 H VAL 48 HN VAL 48 6.635 7.251 8.342 361 HA VAL 48 HA VAL 48 7.287 6.238 10.920 362 HB VAL 48 HB VAL 48 7.931 8.564 11.506 363 HG11 VAL 48 HG11 VAL 48 9.786 8.784 9.905 364 HG12 VAL 48 HG12 VAL 48 8.984 7.659 8.807 365 HG13 VAL 48 HG13 VAL 48 9.551 7.101 10.384 366 HG21 VAL 48 HG21 VAL 48 6.935 9.329 8.734 367 HG22 VAL 48 HG22 VAL 48 7.849 10.377 9.822 368 HG23 VAL 48 HG23 VAL 48 6.229 9.845 10.268 369 H HIS 49 HN HIS 49 4.575 8.250 9.751 370 HA HIS 49 HA HIS 49 3.456 8.889 12.275 371 HB2 HIS 49 HB2 HIS 49 2.329 8.893 9.463 372 HB3 HIS 49 HB1 HIS 49 1.272 9.209 10.832 373 HD1 HIS 49 HD1 HIS 49 0.936 11.621 11.131 374 HD2 HIS 49 HD2 HIS 49 4.769 10.798 9.772 375 HE1 HIS 49 HE1 HIS 49 2.062 13.850 10.906 376 HE2 HIS 49 HE2 HIS 49 4.324 13.336 9.936 377 H TYR 50 HN TYR 50 2.487 6.360 9.926 378 HA TYR 50 HA TYR 50 0.523 5.284 11.802 379 HB2 TYR 50 HB2 TYR 50 1.185 4.497 8.939 380 HB3 TYR 50 HB1 TYR 50 -0.135 3.821 9.880 381 HD1 TYR 50 HD1 TYR 50 -2.101 5.297 10.519 382 HD2 TYR 50 HD2 TYR 50 0.934 6.659 7.838 383 HE1 TYR 50 HE1 TYR 50 -3.585 7.102 9.754 384 HE2 TYR 50 HE2 TYR 50 -0.550 8.459 7.073 385 HH TYR 50 HH TYR 50 -3.031 8.908 6.978 386 H LYS 51 HN LYS 51 3.762 4.815 11.440 387 HA LYS 51 HA LYS 51 5.300 3.305 12.113 388 HB2 LYS 51 HB2 LYS 51 2.953 2.088 13.635 389 HB3 LYS 51 HB1 LYS 51 4.578 1.442 13.747 390 HG2 LYS 51 HG2 LYS 51 4.205 2.797 15.683 391 HG3 LYS 51 HG1 LYS 51 5.346 3.661 14.643 392 HD2 LYS 51 HD2 LYS 51 3.488 5.083 13.812 393 HD3 LYS 51 HD1 LYS 51 2.357 4.209 14.851 394 HE2 LYS 51 HE2 LYS 51 3.507 5.048 16.840 395 HE3 LYS 51 HE1 LYS 51 4.719 5.841 15.834 396 HZ1 LYS 51 HZ1 LYS 51 1.830 6.483 15.907 397 HZ2 LYS 51 HZ2 LYS 51 2.968 7.229 14.906 398 HZ3 LYS 51 HZ3 LYS 51 3.070 7.400 16.583 399 H ILE 52 HN ILE 52 4.127 3.008 9.586 400 HA ILE 52 HA ILE 52 4.009 0.083 9.109 401 HB ILE 52 HB ILE 52 2.732 0.596 7.056 402 HG12 ILE 52 HG12 ILE 52 2.863 3.512 7.977 403 HG13 ILE 52 HG11 ILE 52 3.583 2.847 6.513 404 HG21 ILE 52 HG21 ILE 52 1.506 1.839 9.545 405 HG22 ILE 52 HG22 ILE 52 1.529 0.121 9.145 406 HG23 ILE 52 HG23 ILE 52 0.613 1.243 8.143 407 HD11 ILE 52 HD11 ILE 52 1.587 4.093 5.992 408 HD12 ILE 52 HD12 ILE 52 0.633 3.107 7.099 409 HD13 ILE 52 HD13 ILE 52 1.322 2.384 5.642 410 H LYS 53 HN LYS 53 4.590 -0.106 6.468 411 HA LYS 53 HA LYS 53 7.005 1.396 5.831 412 HB2 LYS 53 HB2 LYS 53 7.701 -0.406 7.472 413 HB3 LYS 53 HB1 LYS 53 7.200 -1.616 6.306 414 HG2 LYS 53 HG2 LYS 53 9.255 0.456 5.524 415 HG3 LYS 53 HG1 LYS 53 9.738 -0.899 6.538 416 HD2 LYS 53 HD2 LYS 53 8.504 -1.126 3.760 417 HD3 LYS 53 HD1 LYS 53 10.223 -1.292 4.143 418 HE2 LYS 53 HE2 LYS 53 9.672 -3.252 5.586 419 HE3 LYS 53 HE1 LYS 53 7.976 -3.095 5.114 420 HZ1 LYS 53 HZ1 LYS 53 9.040 -4.760 3.816 421 HZ2 LYS 53 HZ2 LYS 53 10.260 -3.702 3.328 422 HZ3 LYS 53 HZ3 LYS 53 8.668 -3.457 2.814 423 H PHE 54 HN PHE 54 6.861 1.782 3.725 424 HA PHE 54 HA PHE 54 5.730 -0.208 1.841 425 HB2 PHE 54 HB2 PHE 54 6.394 2.738 1.354 426 HB3 PHE 54 HB1 PHE 54 5.602 1.649 0.222 427 HD1 PHE 54 HD2 PHE 54 3.233 0.901 0.638 428 HD2 PHE 54 HD1 PHE 54 5.155 3.824 3.113 429 HE1 PHE 54 HE2 PHE 54 1.059 1.618 1.518 430 HE2 PHE 54 HE1 PHE 54 2.966 4.523 3.966 431 HZ PHE 54 HZ PHE 54 0.920 3.419 3.169 432 H ALA 55 HN ALA 55 7.026 -0.997 0.199 433 HA ALA 55 HA ALA 55 9.924 -0.424 0.298 434 HB1 ALA 55 HB1 ALA 55 8.435 -2.756 -0.970 435 HB2 ALA 55 HB2 ALA 55 9.274 -2.791 0.584 436 HB3 ALA 55 HB3 ALA 55 10.189 -2.555 -0.908 437 H LEU 56 HN LEU 56 11.045 -0.040 -1.711 438 HA LEU 56 HA LEU 56 9.968 1.939 -3.294 439 HB2 LEU 56 HB2 LEU 56 12.415 1.353 -2.848 440 HB3 LEU 56 HB1 LEU 56 12.296 0.160 -4.121 441 HG LEU 56 HG LEU 56 13.404 2.409 -4.702 442 HD11 LEU 56 HD11 LEU 56 12.512 2.554 -6.964 443 HD12 LEU 56 HD12 LEU 56 11.131 1.555 -6.503 444 HD13 LEU 56 HD13 LEU 56 12.760 0.881 -6.471 445 HD21 LEU 56 HD21 LEU 56 10.550 3.435 -4.729 446 HD22 LEU 56 HD22 LEU 56 11.999 4.311 -5.238 447 HD23 LEU 56 HD23 LEU 56 11.795 3.865 -3.548 448 H GLY 57 HN GLY 57 10.029 -1.528 -3.965 449 HA2 GLY 57 HA2 GLY 57 9.225 -1.537 -6.666 450 HA3 GLY 57 HA1 GLY 57 8.933 -2.834 -5.511 451 H GLU 58 HN GLU 58 7.303 -1.571 -3.663 452 HA GLU 58 HA GLU 58 4.714 -1.652 -4.864 453 HB2 GLU 58 HB2 GLU 58 5.491 -0.560 -2.126 454 HB3 GLU 58 HB1 GLU 58 3.865 -1.015 -2.639 455 HG2 GLU 58 HG2 GLU 58 4.593 -3.363 -2.835 456 HG3 GLU 58 HG1 GLU 58 6.218 -2.907 -2.309 457 H LEU 59 HN LEU 59 6.968 0.942 -4.126 458 HA LEU 59 HA LEU 59 5.140 3.127 -4.258 459 HB2 LEU 59 HB2 LEU 59 8.138 3.205 -4.784 460 HB3 LEU 59 HB1 LEU 59 7.106 4.578 -4.402 461 HG LEU 59 HG LEU 59 7.966 2.327 -2.558 462 HD11 LEU 59 HD11 LEU 59 8.345 5.324 -2.342 463 HD12 LEU 59 HD12 LEU 59 9.571 4.142 -2.797 464 HD13 LEU 59 HD13 LEU 59 8.891 4.114 -1.176 465 HD21 LEU 59 HD21 LEU 59 5.823 4.396 -2.017 466 HD22 LEU 59 HD22 LEU 59 6.556 3.348 -0.802 467 HD23 LEU 59 HD23 LEU 59 5.618 2.645 -2.114 468 H GLN 60 HN GLN 60 7.228 1.536 -6.635 469 HA GLN 60 HA GLN 60 6.545 3.157 -8.863 470 HB2 GLN 60 HB2 GLN 60 7.488 0.260 -8.905 471 HB3 GLN 60 HB1 GLN 60 7.588 1.413 -10.233 472 HG2 GLN 60 HG2 GLN 60 9.204 1.344 -7.672 473 HG3 GLN 60 HG1 GLN 60 9.782 1.247 -9.335 474 HE21 GLN 60 HE21 GLN 60 8.823 3.340 -6.750 475 HE22 GLN 60 HE22 GLN 60 9.220 4.842 -7.505 476 H LYS 61 HN LYS 61 4.629 0.910 -7.167 477 HA LYS 61 HA LYS 61 2.799 0.429 -9.428 478 HB2 LYS 61 HB2 LYS 61 2.414 -0.542 -6.565 479 HB3 LYS 61 HB1 LYS 61 1.656 -1.163 -8.028 480 HG2 LYS 61 HG2 LYS 61 4.523 -1.516 -7.124 481 HG3 LYS 61 HG1 LYS 61 3.279 -2.760 -7.287 482 HD2 LYS 61 HD2 LYS 61 3.327 -2.468 -9.752 483 HD3 LYS 61 HD1 LYS 61 4.544 -1.195 -9.584 484 HE2 LYS 61 HE2 LYS 61 6.068 -2.900 -8.522 485 HE3 LYS 61 HE1 LYS 61 4.868 -4.140 -8.899 486 HZ1 LYS 61 HZ1 LYS 61 5.106 -3.574 -11.243 487 HZ2 LYS 61 HZ2 LYS 61 6.582 -4.049 -10.565 488 HZ3 LYS 61 HZ3 LYS 61 6.278 -2.415 -10.853 489 H LEU 62 HN LEU 62 3.302 2.781 -7.039 490 HA LEU 62 HA LEU 62 0.510 3.375 -6.461 491 HB2 LEU 62 HB2 LEU 62 3.023 4.968 -5.788 492 HB3 LEU 62 HB1 LEU 62 1.406 5.303 -5.185 493 HG LEU 62 HG LEU 62 3.070 2.838 -4.529 494 HD11 LEU 62 HD11 LEU 62 2.363 5.224 -2.792 495 HD12 LEU 62 HD12 LEU 62 3.949 4.858 -3.469 496 HD13 LEU 62 HD13 LEU 62 3.241 3.781 -2.272 497 HD21 LEU 62 HD21 LEU 62 1.313 2.298 -2.887 498 HD22 LEU 62 HD22 LEU 62 0.696 2.276 -4.536 499 HD23 LEU 62 HD23 LEU 62 0.338 3.646 -3.482 500 H LYS 63 HN LYS 63 -0.288 3.770 -8.610 501 HA LYS 63 HA LYS 63 0.893 5.852 -10.248 502 HB2 LYS 63 HB2 LYS 63 -0.217 3.830 -11.243 503 HB3 LYS 63 HB1 LYS 63 -1.767 4.414 -10.635 504 HG2 LYS 63 HG2 LYS 63 -1.442 6.504 -11.989 505 HG3 LYS 63 HG1 LYS 63 0.025 5.791 -12.662 506 HD2 LYS 63 HD2 LYS 63 -1.359 3.944 -13.624 507 HD3 LYS 63 HD1 LYS 63 -2.808 4.729 -12.980 508 HE2 LYS 63 HE2 LYS 63 -0.912 5.869 -15.071 509 HE3 LYS 63 HE1 LYS 63 -2.561 5.296 -15.339 510 HZ1 LYS 63 HZ1 LYS 63 -1.819 7.605 -13.618 511 HZ2 LYS 63 HZ2 LYS 63 -3.387 7.073 -13.953 512 HZ3 LYS 63 HZ3 LYS 63 -2.434 7.713 -15.185 513 H ASN 64 HN ASN 64 -1.703 5.516 -7.967 514 HA ASN 64 HA ASN 64 -2.298 8.393 -8.008 515 HB2 ASN 64 HB2 ASN 64 -4.532 6.293 -8.042 516 HB3 ASN 64 HB1 ASN 64 -4.723 8.046 -8.028 517 HD21 ASN 64 HD21 ASN 64 -4.014 5.256 -9.961 518 HD22 ASN 64 HD22 ASN 64 -4.108 6.037 -11.496 519 H VAL 65 HN VAL 65 -3.788 8.899 -6.109 520 HA VAL 65 HA VAL 65 -2.817 7.801 -3.654 521 HB VAL 65 HB VAL 65 -5.157 9.734 -4.054 522 HG11 VAL 65 HG11 VAL 65 -4.692 10.468 -1.742 523 HG12 VAL 65 HG12 VAL 65 -3.396 9.274 -1.609 524 HG13 VAL 65 HG13 VAL 65 -5.069 8.748 -1.784 525 HG21 VAL 65 HG21 VAL 65 -2.208 10.383 -3.627 526 HG22 VAL 65 HG22 VAL 65 -3.528 11.559 -3.700 527 HG23 VAL 65 HG23 VAL 65 -3.111 10.610 -5.128 528 H GLY 66 HN GLY 66 -5.346 6.921 -5.797 529 HA2 GLY 66 HA2 GLY 66 -7.050 5.464 -4.053 530 HA3 GLY 66 HA1 GLY 66 -6.803 5.154 -5.774 531 H ASP 67 HN ASP 67 -3.999 4.712 -5.737 532 HA ASP 67 HA ASP 67 -3.717 2.024 -4.889 533 HB2 ASP 67 HB2 ASP 67 -1.559 4.057 -5.617 534 HB3 ASP 67 HB1 ASP 67 -1.269 2.331 -5.384 535 H LEU 68 HN LEU 68 -2.709 5.144 -3.430 536 HA LEU 68 HA LEU 68 -1.444 4.041 -1.145 537 HB2 LEU 68 HB2 LEU 68 -2.612 6.778 -1.691 538 HB3 LEU 68 HB1 LEU 68 -2.117 6.370 -0.065 539 HG LEU 68 HG LEU 68 -0.321 7.582 -1.021 540 HD11 LEU 68 HD11 LEU 68 0.461 4.662 -1.112 541 HD12 LEU 68 HD12 LEU 68 0.370 5.677 0.329 542 HD13 LEU 68 HD13 LEU 68 1.555 6.039 -0.925 543 HD21 LEU 68 HD21 LEU 68 -0.913 7.401 -3.388 544 HD22 LEU 68 HD22 LEU 68 -0.372 5.720 -3.419 545 HD23 LEU 68 HD23 LEU 68 0.791 7.021 -3.138 546 H ALA 69 HN ALA 69 -4.848 4.735 -1.836 547 HA ALA 69 HA ALA 69 -5.888 4.497 0.767 548 HB1 ALA 69 HB1 ALA 69 -8.042 3.995 -0.309 549 HB2 ALA 69 HB2 ALA 69 -7.218 3.694 -1.842 550 HB3 ALA 69 HB3 ALA 69 -7.217 5.313 -1.145 551 H ASP 70 HN ASP 70 -5.512 2.044 -1.788 552 HA ASP 70 HA ASP 70 -6.220 -0.239 -0.276 553 HB2 ASP 70 HB2 ASP 70 -4.519 0.063 -2.785 554 HB3 ASP 70 HB1 ASP 70 -4.925 -1.509 -2.093 555 H LEU 71 HN LEU 71 -3.008 1.145 -1.012 556 HA LEU 71 HA LEU 71 -1.463 -0.929 0.103 557 HB2 LEU 71 HB2 LEU 71 -0.906 1.706 -1.096 558 HB3 LEU 71 HB1 LEU 71 0.179 1.387 0.232 559 HG LEU 71 HG LEU 71 1.203 0.720 -1.886 560 HD11 LEU 71 HD11 LEU 71 0.542 -1.700 -0.194 561 HD12 LEU 71 HD12 LEU 71 1.843 -0.544 0.093 562 HD13 LEU 71 HD13 LEU 71 1.878 -1.565 -1.342 563 HD21 LEU 71 HD21 LEU 71 -0.820 0.249 -3.174 564 HD22 LEU 71 HD22 LEU 71 -1.108 -1.213 -2.226 565 HD23 LEU 71 HD23 LEU 71 0.317 -1.096 -3.264 566 H VAL 72 HN VAL 72 -2.186 2.320 1.484 567 HA VAL 72 HA VAL 72 -1.053 1.934 4.000 568 HB VAL 72 HB VAL 72 -3.468 3.689 3.320 569 HG11 VAL 72 HG11 VAL 72 -1.637 3.811 5.752 570 HG12 VAL 72 HG12 VAL 72 -3.328 3.314 5.754 571 HG13 VAL 72 HG13 VAL 72 -2.905 4.980 5.365 572 HG21 VAL 72 HG21 VAL 72 -1.848 5.554 3.168 573 HG22 VAL 72 HG22 VAL 72 -1.460 4.299 1.988 574 HG23 VAL 72 HG23 VAL 72 -0.516 4.439 3.476 575 H ASP 73 HN ASP 73 -4.362 1.097 2.846 576 HA ASP 73 HA ASP 73 -5.425 0.160 5.296 577 HB2 ASP 73 HB2 ASP 73 -6.103 -0.520 2.422 578 HB3 ASP 73 HB1 ASP 73 -6.891 -1.385 3.738 579 H LYS 74 HN LYS 74 -3.427 -1.449 2.893 580 HA LYS 74 HA LYS 74 -3.658 -4.096 3.988 581 HB2 LYS 74 HB2 LYS 74 -1.497 -2.955 2.165 582 HB3 LYS 74 HB1 LYS 74 -1.691 -4.663 2.552 583 HG2 LYS 74 HG2 LYS 74 -3.597 -2.914 0.970 584 HG3 LYS 74 HG1 LYS 74 -2.620 -4.256 0.368 585 HD2 LYS 74 HD2 LYS 74 -3.942 -5.846 1.695 586 HD3 LYS 74 HD1 LYS 74 -4.876 -4.523 2.399 587 HE2 LYS 74 HE2 LYS 74 -5.738 -3.959 0.140 588 HE3 LYS 74 HE1 LYS 74 -4.844 -5.327 -0.528 589 HZ1 LYS 74 HZ1 LYS 74 -6.137 -6.799 0.895 590 HZ2 LYS 74 HZ2 LYS 74 -7.130 -5.904 -0.136 591 HZ3 LYS 74 HZ3 LYS 74 -7.011 -5.479 1.494 592 H LYS 75 HN LYS 75 -1.385 -1.424 4.425 593 HA LYS 75 HA LYS 75 0.478 -2.811 6.076 594 HB2 LYS 75 HB2 LYS 75 -0.040 0.186 5.858 595 HB3 LYS 75 HB1 LYS 75 1.398 -0.578 6.529 596 HG2 LYS 75 HG2 LYS 75 0.514 -0.650 3.633 597 HG3 LYS 75 HG1 LYS 75 1.831 0.315 4.301 598 HD2 LYS 75 HD2 LYS 75 3.092 -1.714 4.838 599 HD3 LYS 75 HD1 LYS 75 1.747 -2.730 4.306 600 HE2 LYS 75 HE2 LYS 75 2.020 -1.935 2.004 601 HE3 LYS 75 HE1 LYS 75 3.295 -0.827 2.519 602 HZ1 LYS 75 HZ1 LYS 75 4.099 -2.899 1.514 603 HZ2 LYS 75 HZ2 LYS 75 3.450 -3.765 2.810 604 HZ3 LYS 75 HZ3 LYS 75 4.681 -2.639 3.080 605 H LEU 76 HN LEU 76 -2.395 -0.828 6.675 606 HA LEU 76 HA LEU 76 -2.116 -0.770 9.537 607 HB2 LEU 76 HB2 LEU 76 -4.497 -0.036 7.797 608 HB3 LEU 76 HB1 LEU 76 -4.411 0.226 9.532 609 HG LEU 76 HG LEU 76 -2.779 1.622 7.378 610 HD11 LEU 76 HD11 LEU 76 -3.822 3.667 8.205 611 HD12 LEU 76 HD12 LEU 76 -4.731 2.743 9.408 612 HD13 LEU 76 HD13 LEU 76 -5.039 2.502 7.685 613 HD21 LEU 76 HD21 LEU 76 -1.261 1.150 9.220 614 HD22 LEU 76 HD22 LEU 76 -2.397 1.848 10.376 615 HD23 LEU 76 HD23 LEU 76 -1.631 2.871 9.159 616 H ALA 77 HN ALA 77 -3.708 -2.846 7.201 617 HA ALA 77 HA ALA 77 -5.223 -4.438 9.003 618 HB1 ALA 77 HB1 ALA 77 -5.214 -6.147 7.216 619 HB2 ALA 77 HB2 ALA 77 -3.957 -5.248 6.357 620 HB3 ALA 77 HB3 ALA 77 -5.560 -4.542 6.564 621 H ARG 78 HN ARG 78 -1.847 -4.561 7.909 622 HA ARG 78 HA ARG 78 -1.043 -6.849 9.435 623 HB2 ARG 78 HB2 ARG 78 0.668 -4.531 8.427 624 HB3 ARG 78 HB1 ARG 78 1.279 -6.080 9.008 625 HG2 ARG 78 HG2 ARG 78 -0.445 -5.680 6.535 626 HG3 ARG 78 HG1 ARG 78 1.304 -5.910 6.536 627 HD2 ARG 78 HD2 ARG 78 -0.720 -7.940 7.556 628 HD3 ARG 78 HD1 ARG 78 0.035 -7.981 5.961 629 HE ARG 78 HE ARG 78 1.507 -8.267 8.522 630 HH11 ARG 78 HH11 ARG 78 1.162 -9.127 5.123 631 HH12 ARG 78 HH12 ARG 78 2.475 -10.258 5.166 632 HH21 ARG 78 HH21 ARG 78 3.217 -9.769 8.536 633 HH22 ARG 78 HH22 ARG 78 3.621 -10.620 7.083 634 H LYS 79 HN LYS 79 -1.458 -3.441 10.181 635 HA LYS 79 HA LYS 79 0.024 -3.342 12.616 636 HB2 LYS 79 HB2 LYS 79 -2.116 -1.531 11.464 637 HB3 LYS 79 HB1 LYS 79 -1.382 -1.212 13.031 638 HG2 LYS 79 HG2 LYS 79 0.113 -1.378 10.390 639 HG3 LYS 79 HG1 LYS 79 -0.364 0.120 11.198 640 HD2 LYS 79 HD2 LYS 79 1.548 -1.979 12.326 641 HD3 LYS 79 HD1 LYS 79 2.031 -0.448 11.581 642 HE2 LYS 79 HE2 LYS 79 0.960 0.812 13.370 643 HE3 LYS 79 HE1 LYS 79 0.285 -0.663 14.068 644 HZ1 LYS 79 HZ1 LYS 79 3.181 -0.133 13.796 645 HZ2 LYS 79 HZ2 LYS 79 2.450 -1.410 14.627 646 HZ3 LYS 79 HZ3 LYS 79 2.283 0.175 15.191 647 H LEU 80 HN LEU 80 -2.926 -4.929 11.995 648 HA LEU 80 HA LEU 80 -3.966 -4.892 14.686 649 HB2 LEU 80 HB2 LEU 80 -4.397 -6.722 12.298 650 HB3 LEU 80 HB1 LEU 80 -5.015 -7.184 13.869 651 HG LEU 80 HG LEU 80 -6.779 -6.174 12.507 652 HD11 LEU 80 HD11 LEU 80 -7.639 -4.526 14.073 653 HD12 LEU 80 HD12 LEU 80 -6.047 -4.363 14.816 654 HD13 LEU 80 HD13 LEU 80 -6.918 -5.893 14.924 655 HD21 LEU 80 HD21 LEU 80 -5.422 -4.724 11.083 656 HD22 LEU 80 HD22 LEU 80 -5.111 -3.645 12.447 657 HD23 LEU 80 HD23 LEU 80 -6.752 -3.836 11.819 658 H GLU 81 HN GLU 81 -1.655 -5.003 15.471 659 HA GLU 81 HA GLU 81 -0.805 -7.569 16.382 660 HB2 GLU 81 HB2 GLU 81 0.099 -7.154 13.876 661 HB3 GLU 81 HB1 GLU 81 1.255 -6.098 14.676 662 HG2 GLU 81 HG2 GLU 81 0.877 -9.064 15.186 663 HG3 GLU 81 HG1 GLU 81 2.168 -8.347 14.227 664 H HIS 82 HN HIS 82 0.582 -7.274 18.171 665 HA HIS 82 HA HIS 82 0.176 -4.932 19.660 666 HB2 HIS 82 HB2 HIS 82 2.111 -7.227 20.115 667 HB3 HIS 82 HB1 HIS 82 1.822 -5.954 21.295 668 HD1 HIS 82 HD1 HIS 82 0.648 -9.232 20.360 669 HD2 HIS 82 HD2 HIS 82 -1.066 -5.864 22.075 670 HE1 HIS 82 HE1 HIS 82 -1.466 -10.039 21.454 671 HE2 HIS 82 HE2 HIS 82 -2.561 -7.949 22.328 672 H HIS 83 HN HIS 83 3.404 -6.182 18.510 673 HA HIS 83 HA HIS 83 4.269 -3.687 17.496 674 HB2 HIS 83 HB2 HIS 83 5.992 -3.049 19.216 675 HB3 HIS 83 HB1 HIS 83 4.344 -2.854 19.776 676 HD1 HIS 83 HD1 HIS 83 3.477 -4.813 21.439 677 HD2 HIS 83 HD2 HIS 83 7.589 -4.528 20.909 678 HE1 HIS 83 HE1 HIS 83 4.489 -6.149 23.306 679 HE2 HIS 83 HE2 HIS 83 6.960 -6.078 22.884 680 H HIS 84 HN HIS 84 5.584 -6.593 19.174 681 HA HIS 84 HA HIS 84 7.572 -7.621 19.112 682 HB2 HIS 84 HB2 HIS 84 7.135 -7.277 16.131 683 HB3 HIS 84 HB1 HIS 84 8.508 -8.169 16.775 684 HD1 HIS 84 HD1 HIS 84 5.086 -8.656 15.742 685 HD2 HIS 84 HD2 HIS 84 7.617 -10.408 18.531 686 HE1 HIS 84 HE1 HIS 84 4.066 -10.894 16.265 687 HE2 HIS 84 HE2 HIS 84 5.653 -11.964 17.888 688 H HIS 85 HN HIS 85 8.247 -5.306 16.425 689 HA HIS 85 HA HIS 85 10.815 -4.619 17.566 690 HB2 HIS 85 HB2 HIS 85 10.496 -4.816 15.111 691 HB3 HIS 85 HB1 HIS 85 9.375 -3.463 15.136 692 HD1 HIS 85 HD1 HIS 85 13.044 -4.211 15.769 693 HD2 HIS 85 HD2 HIS 85 10.577 -1.001 14.837 694 HE1 HIS 85 HE1 HIS 85 14.593 -2.286 15.299 695 HE2 HIS 85 HE2 HIS 85 13.077 -0.401 14.602 696 H HIS 86 HN HIS 86 9.874 -3.817 19.614 697 HA HIS 86 HA HIS 86 10.143 -0.935 19.574 698 HB2 HIS 86 HB2 HIS 86 7.557 -2.197 20.524 699 HB3 HIS 86 HB1 HIS 86 8.188 -0.839 21.443 700 HD1 HIS 86 HD1 HIS 86 5.497 -0.894 19.670 701 HD2 HIS 86 HD2 HIS 86 9.096 0.927 18.695 702 HE1 HIS 86 HE1 HIS 86 4.914 0.885 17.998 703 HE2 HIS 86 HE2 HIS 86 7.077 2.111 17.611 704 H HIS 87 HN HIS 87 12.090 -2.250 20.176 705 HA HIS 87 HA HIS 87 12.658 -1.715 22.907 706 HB2 HIS 87 HB2 HIS 87 13.544 -4.052 23.470 707 HB3 HIS 87 HB1 HIS 87 11.798 -3.893 23.441 708 HD1 HIS 87 HD1 HIS 87 14.635 -5.423 21.488 709 HD2 HIS 87 HD2 HIS 87 10.490 -5.521 21.627 710 HE1 HIS 87 HE1 HIS 87 13.964 -7.388 20.072 711 HE2 HIS 87 HE2 HIS 87 11.450 -7.308 20.028 712 H282 PNS 88 H282 PNS 88 7.359 13.168 -10.912 713 H281 PNS 88 H281 PNS 88 7.896 12.198 -12.290 714 H303 PNS 88 H303 PNS 88 6.090 11.596 -8.934 715 H302 PNS 88 H302 PNS 88 5.215 12.728 -9.972 716 H301 PNS 88 H301 PNS 88 4.614 11.079 -9.772 717 H313 PNS 88 H313 PNS 88 7.343 9.384 -11.615 718 H312 PNS 88 H312 PNS 88 7.411 9.756 -9.889 719 H311 PNS 88 H311 PNS 88 5.898 9.172 -10.601 720 H32 PNS 88 H32 PNS 88 5.258 12.372 -12.611 721 H33 PNS 88 H33 PNS 88 5.725 10.698 -14.273 722 H36 PNS 88 H36 PNS 88 5.172 8.799 -12.274 723 H372 PNS 88 H372 PNS 88 2.283 8.739 -12.812 724 H371 PNS 88 H371 PNS 88 3.401 7.373 -12.864 725 H382 PNS 88 H382 PNS 88 2.002 7.069 -10.952 726 H381 PNS 88 H381 PNS 88 3.599 7.518 -10.365 727 H41 PNS 88 H41 PNS 88 2.172 7.856 -8.404 728 H422 PNS 88 H422 PNS 88 2.103 10.202 -7.280 729 H421 PNS 88 H421 PNS 88 0.714 10.429 -8.346 730 H431 PNS 88 H431 PNS 88 -0.304 8.368 -7.287 731 H432 PNS 88 H432 PNS 88 -0.149 9.757 -6.215 732 H44 PNS 88 H44 PNS 88 2.034 8.811 -4.843 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -10.092 1.090 5.457 2 H2 MET 1 HT2 MET 1 -9.825 1.491 3.841 3 H3 MET 1 HT3 MET 1 -10.674 0.084 4.230 4 HA MET 1 HA MET 1 -12.133 1.781 3.455 5 HB2 MET 1 HB2 MET 1 -12.432 1.068 6.395 6 HB3 MET 1 HB1 MET 1 -13.691 1.895 5.489 7 HG2 MET 1 HG2 MET 1 -13.871 -0.001 3.957 8 HG3 MET 1 HG1 MET 1 -12.570 -0.835 4.810 9 HE1 MET 1 HE1 MET 1 -14.232 -1.650 8.279 10 HE2 MET 1 HE2 MET 1 -13.138 -0.333 7.862 11 HE3 MET 1 HE3 MET 1 -12.839 -1.962 7.247 12 HA PRO 2 HA PRO 2 -11.669 5.791 5.990 13 HB2 PRO 2 HB2 PRO 2 -10.552 5.989 8.393 14 HB3 PRO 2 HB1 PRO 2 -12.029 5.033 8.204 15 HG2 PRO 2 HG2 PRO 2 -9.180 4.089 8.446 16 HG3 PRO 2 HG1 PRO 2 -10.647 3.423 9.196 17 HD2 PRO 2 HD2 PRO 2 -9.445 2.488 6.801 18 HD3 PRO 2 HD1 PRO 2 -11.084 2.096 7.363 19 H THR 3 HN THR 3 -9.453 4.615 4.368 20 HA THR 3 HA THR 3 -6.942 5.438 5.445 21 HB THR 3 HB THR 3 -7.521 4.425 2.632 22 HG1 THR 3 HG1 THR 3 -6.636 2.442 3.987 23 HG21 THR 3 HG21 THR 3 -5.186 3.620 2.732 24 HG22 THR 3 HG22 THR 3 -4.992 4.356 4.323 25 HG23 THR 3 HG23 THR 3 -5.263 5.374 2.907 26 H LEU 4 HN LEU 4 -8.860 6.540 2.546 27 HA LEU 4 HA LEU 4 -7.076 8.537 1.664 28 HB2 LEU 4 HB2 LEU 4 -10.113 8.440 1.404 29 HB3 LEU 4 HB1 LEU 4 -9.086 9.571 0.539 30 HG LEU 4 HG LEU 4 -9.101 6.547 0.182 31 HD11 LEU 4 HD11 LEU 4 -11.061 7.642 -0.827 32 HD12 LEU 4 HD12 LEU 4 -9.974 7.018 -2.062 33 HD13 LEU 4 HD13 LEU 4 -10.005 8.749 -1.712 34 HD21 LEU 4 HD21 LEU 4 -7.426 8.642 -1.237 35 HD22 LEU 4 HD22 LEU 4 -7.510 6.927 -1.653 36 HD23 LEU 4 HD23 LEU 4 -6.838 7.421 -0.103 37 H ASP 5 HN ASP 5 -9.792 8.655 3.925 38 HA ASP 5 HA ASP 5 -9.887 11.349 4.627 39 HB2 ASP 5 HB2 ASP 5 -11.603 9.801 5.372 40 HB3 ASP 5 HB1 ASP 5 -10.433 8.832 6.258 41 H ALA 6 HN ALA 6 -7.993 8.724 6.083 42 HA ALA 6 HA ALA 6 -6.706 10.255 8.097 43 HB1 ALA 6 HB1 ALA 6 -5.855 7.618 6.860 44 HB2 ALA 6 HB2 ALA 6 -6.960 7.807 8.220 45 HB3 ALA 6 HB3 ALA 6 -5.270 8.282 8.392 46 H LEU 7 HN LEU 7 -5.809 9.419 4.771 47 HA LEU 7 HA LEU 7 -3.065 10.246 4.988 48 HB2 LEU 7 HB2 LEU 7 -4.704 9.626 2.498 49 HB3 LEU 7 HB1 LEU 7 -2.966 9.889 2.522 50 HG LEU 7 HG LEU 7 -4.475 7.541 3.730 51 HD11 LEU 7 HD11 LEU 7 -2.461 7.638 1.466 52 HD12 LEU 7 HD12 LEU 7 -4.207 7.425 1.306 53 HD13 LEU 7 HD13 LEU 7 -3.244 6.189 2.110 54 HD21 LEU 7 HD21 LEU 7 -2.654 8.106 5.251 55 HD22 LEU 7 HD22 LEU 7 -1.503 8.110 3.914 56 HD23 LEU 7 HD23 LEU 7 -2.294 6.609 4.395 57 H THR 8 HN THR 8 -6.078 11.854 4.175 58 HA THR 8 HA THR 8 -5.152 13.831 2.425 59 HB THR 8 HB THR 8 -7.510 13.988 4.350 60 HG1 THR 8 HG1 THR 8 -7.165 12.482 2.306 61 HG21 THR 8 HG21 THR 8 -8.402 15.780 2.890 62 HG22 THR 8 HG22 THR 8 -6.908 15.776 1.951 63 HG23 THR 8 HG23 THR 8 -6.887 16.282 3.642 64 HA PRO 9 HA PRO 9 -4.159 16.788 6.295 65 HB2 PRO 9 HB2 PRO 9 -3.730 14.667 8.411 66 HB3 PRO 9 HB1 PRO 9 -4.350 16.319 8.588 67 HG2 PRO 9 HG2 PRO 9 -6.042 14.290 8.674 68 HG3 PRO 9 HG1 PRO 9 -6.475 15.741 7.739 69 HD2 PRO 9 HD2 PRO 9 -5.387 13.095 6.732 70 HD3 PRO 9 HD1 PRO 9 -6.743 14.057 6.103 71 H ILE 10 HN ILE 10 -2.699 13.561 5.812 72 HA ILE 10 HA ILE 10 -0.034 14.318 6.612 73 HB ILE 10 HB ILE 10 -0.614 12.031 4.676 74 HG12 ILE 10 HG12 ILE 10 -2.162 11.728 6.573 75 HG13 ILE 10 HG11 ILE 10 -0.895 10.510 6.613 76 HG21 ILE 10 HG21 ILE 10 1.408 11.017 5.735 77 HG22 ILE 10 HG22 ILE 10 1.600 12.464 6.724 78 HG23 ILE 10 HG23 ILE 10 1.753 12.570 4.970 79 HD11 ILE 10 HD11 ILE 10 -1.385 11.300 8.823 80 HD12 ILE 10 HD12 ILE 10 -1.067 12.967 8.349 81 HD13 ILE 10 HD13 ILE 10 0.247 11.786 8.372 82 H PHE 11 HN PHE 11 -1.719 14.060 3.491 83 HA PHE 11 HA PHE 11 0.409 14.933 1.814 84 HB2 PHE 11 HB2 PHE 11 -2.615 14.855 1.467 85 HB3 PHE 11 HB1 PHE 11 -1.577 15.548 0.231 86 HD1 PHE 11 HD1 PHE 11 -1.551 12.365 2.288 87 HD2 PHE 11 HD2 PHE 11 -1.278 14.143 -1.594 88 HE1 PHE 11 HE1 PHE 11 -1.311 10.138 1.275 89 HE2 PHE 11 HE2 PHE 11 -1.032 11.916 -2.589 90 HZ PHE 11 HZ PHE 11 -1.050 9.908 -1.166 91 H ARG 12 HN ARG 12 -2.334 16.615 3.367 92 HA ARG 12 HA ARG 12 -1.751 19.230 2.465 93 HB2 ARG 12 HB2 ARG 12 -3.334 18.243 4.864 94 HB3 ARG 12 HB1 ARG 12 -3.205 19.949 4.443 95 HG2 ARG 12 HG2 ARG 12 -4.265 19.459 2.242 96 HG3 ARG 12 HG1 ARG 12 -4.451 17.770 2.726 97 HD2 ARG 12 HD2 ARG 12 -5.940 18.398 4.543 98 HD3 ARG 12 HD1 ARG 12 -5.658 20.116 4.242 99 HE ARG 12 HE ARG 12 -6.649 19.163 1.873 100 HH11 ARG 12 HH11 ARG 12 -7.847 19.114 5.174 101 HH12 ARG 12 HH12 ARG 12 -9.512 19.201 4.696 102 HH21 ARG 12 HH21 ARG 12 -8.823 19.288 1.263 103 HH22 ARG 12 HH22 ARG 12 -10.065 19.311 2.473 104 H GLN 13 HN GLN 13 -0.337 17.357 5.095 105 HA GLN 13 HA GLN 13 1.059 19.489 6.366 106 HB2 GLN 13 HB2 GLN 13 0.770 17.319 7.482 107 HB3 GLN 13 HB1 GLN 13 1.627 16.494 6.188 108 HG2 GLN 13 HG2 GLN 13 3.677 17.916 6.861 109 HG3 GLN 13 HG1 GLN 13 2.768 18.327 8.315 110 HE21 GLN 13 HE21 GLN 13 4.426 15.780 6.578 111 HE22 GLN 13 HE22 GLN 13 4.512 14.666 7.897 112 H VAL 14 HN VAL 14 2.122 16.987 4.044 113 HA VAL 14 HA VAL 14 4.778 17.780 3.726 114 HB VAL 14 HB VAL 14 2.959 16.184 1.862 115 HG11 VAL 14 HG11 VAL 14 5.997 16.423 1.708 116 HG12 VAL 14 HG12 VAL 14 4.841 17.019 0.512 117 HG13 VAL 14 HG13 VAL 14 5.008 15.285 0.785 118 HG21 VAL 14 HG21 VAL 14 3.283 15.198 4.095 119 HG22 VAL 14 HG22 VAL 14 5.034 15.271 3.887 120 HG23 VAL 14 HG23 VAL 14 4.067 14.219 2.854 121 H PHE 15 HN PHE 15 2.028 18.408 1.562 122 HA PHE 15 HA PHE 15 3.607 20.083 -0.209 123 HB2 PHE 15 HB2 PHE 15 0.624 19.446 -0.331 124 HB3 PHE 15 HB1 PHE 15 1.601 20.135 -1.622 125 HD1 PHE 15 HD2 PHE 15 3.555 18.675 -2.551 126 HD2 PHE 15 HD1 PHE 15 0.372 17.094 -0.189 127 HE1 PHE 15 HE2 PHE 15 4.043 16.410 -3.361 128 HE2 PHE 15 HE1 PHE 15 0.885 14.838 -0.999 129 HZ PHE 15 HZ PHE 15 2.725 14.494 -2.588 130 H ASP 16 HN ASP 16 1.427 20.477 2.467 131 HA ASP 16 HA ASP 16 0.513 22.192 3.594 132 HB2 ASP 16 HB2 ASP 16 2.913 22.959 3.651 133 HB3 ASP 16 HB1 ASP 16 2.589 23.973 2.258 134 H ASP 17 HN ASP 17 -1.455 22.056 2.550 135 HA ASP 17 HA ASP 17 -2.323 24.225 0.873 136 HB2 ASP 17 HB2 ASP 17 -1.147 22.844 -0.818 137 HB3 ASP 17 HB1 ASP 17 -2.073 21.428 -0.343 138 H ASP 18 HN ASP 18 -4.690 23.761 0.147 139 HA ASP 18 HA ASP 18 -6.131 22.432 2.382 140 HB2 ASP 18 HB2 ASP 18 -7.828 24.244 2.303 141 HB3 ASP 18 HB1 ASP 18 -6.236 24.864 2.715 142 H SER 19 HN SER 19 -5.787 22.946 -1.005 143 HA SER 19 HA SER 19 -8.459 22.134 -1.801 144 HB2 SER 19 HB2 SER 19 -5.976 22.610 -3.509 145 HB3 SER 19 HB1 SER 19 -7.646 22.524 -4.082 146 HG SER 19 HG SER 19 -7.556 24.331 -2.147 147 H ILE 20 HN ILE 20 -5.625 20.473 -0.879 148 HA ILE 20 HA ILE 20 -5.820 18.138 -2.503 149 HB ILE 20 HB ILE 20 -4.645 18.443 0.302 150 HG12 ILE 20 HG12 ILE 20 -3.214 18.444 -2.401 151 HG13 ILE 20 HG11 ILE 20 -3.528 19.872 -1.427 152 HG21 ILE 20 HG21 ILE 20 -4.311 16.163 -1.691 153 HG22 ILE 20 HG22 ILE 20 -5.132 16.085 -0.131 154 HG23 ILE 20 HG23 ILE 20 -3.392 16.341 -0.194 155 HD11 ILE 20 HD11 ILE 20 -2.077 19.011 0.332 156 HD12 ILE 20 HD12 ILE 20 -1.235 19.122 -1.213 157 HD13 ILE 20 HD13 ILE 20 -1.778 17.555 -0.621 158 H VAL 21 HN VAL 21 -7.849 17.345 -2.606 159 HA VAL 21 HA VAL 21 -9.011 16.158 -0.148 160 HB VAL 21 HB VAL 21 -10.580 17.180 -2.573 161 HG11 VAL 21 HG11 VAL 21 -12.599 16.688 -1.210 162 HG12 VAL 21 HG12 VAL 21 -11.576 16.006 0.056 163 HG13 VAL 21 HG13 VAL 21 -11.659 15.228 -1.527 164 HG21 VAL 21 HG21 VAL 21 -11.464 18.944 -1.095 165 HG22 VAL 21 HG22 VAL 21 -9.708 19.064 -1.231 166 HG23 VAL 21 HG23 VAL 21 -10.437 18.378 0.225 167 H LEU 22 HN LEU 22 -8.263 14.120 -0.344 168 HA LEU 22 HA LEU 22 -7.311 13.066 -2.800 169 HB2 LEU 22 HB2 LEU 22 -7.697 11.716 -0.100 170 HB3 LEU 22 HB1 LEU 22 -6.838 10.999 -1.461 171 HG LEU 22 HG LEU 22 -6.009 13.523 0.031 172 HD11 LEU 22 HD11 LEU 22 -4.111 12.205 0.813 173 HD12 LEU 22 HD12 LEU 22 -4.732 10.775 -0.014 174 HD13 LEU 22 HD13 LEU 22 -5.635 11.485 1.327 175 HD21 LEU 22 HD21 LEU 22 -5.402 13.717 -2.334 176 HD22 LEU 22 HD22 LEU 22 -4.626 12.132 -2.294 177 HD23 LEU 22 HD23 LEU 22 -3.963 13.468 -1.350 178 H THR 23 HN THR 23 -8.107 11.618 -4.165 179 HA THR 23 HA THR 23 -10.593 10.152 -3.592 180 HB THR 23 HB THR 23 -11.388 10.555 -5.935 181 HG1 THR 23 HG1 THR 23 -9.238 12.416 -6.000 182 HG21 THR 23 HG21 THR 23 -12.340 11.966 -4.147 183 HG22 THR 23 HG22 THR 23 -12.213 12.867 -5.660 184 HG23 THR 23 HG23 THR 23 -11.035 13.134 -4.372 185 H ARG 24 HN ARG 24 -10.828 8.459 -5.467 186 HA ARG 24 HA ARG 24 -8.676 6.705 -5.150 187 HB2 ARG 24 HB2 ARG 24 -11.097 6.603 -6.974 188 HB3 ARG 24 HB1 ARG 24 -9.950 5.271 -6.843 189 HG2 ARG 24 HG2 ARG 24 -10.434 5.155 -4.385 190 HG3 ARG 24 HG1 ARG 24 -11.675 6.394 -4.605 191 HD2 ARG 24 HD2 ARG 24 -12.637 4.118 -4.546 192 HD3 ARG 24 HD1 ARG 24 -12.919 4.902 -6.104 193 HE ARG 24 HE ARG 24 -10.574 3.182 -5.901 194 HH11 ARG 24 HH11 ARG 24 -13.889 3.469 -7.019 195 HH12 ARG 24 HH12 ARG 24 -13.781 2.084 -8.057 196 HH21 ARG 24 HH21 ARG 24 -10.426 1.412 -7.293 197 HH22 ARG 24 HH22 ARG 24 -11.811 0.916 -8.206 198 H GLU 25 HN GLU 25 -9.514 8.728 -7.979 199 HA GLU 25 HA GLU 25 -7.394 7.473 -9.575 200 HB2 GLU 25 HB2 GLU 25 -9.450 9.583 -10.330 201 HB3 GLU 25 HB1 GLU 25 -8.313 8.826 -11.446 202 HG2 GLU 25 HG2 GLU 25 -9.354 6.628 -11.035 203 HG3 GLU 25 HG1 GLU 25 -10.472 7.364 -9.889 204 H THR 26 HN THR 26 -7.374 9.929 -7.341 205 HA THR 26 HA THR 26 -5.970 12.054 -8.482 206 HB THR 26 HB THR 26 -5.756 10.968 -5.638 207 HG1 THR 26 HG1 THR 26 -7.418 12.921 -6.859 208 HG21 THR 26 HG21 THR 26 -4.967 13.709 -6.709 209 HG22 THR 26 HG22 THR 26 -3.859 12.475 -6.093 210 HG23 THR 26 HG23 THR 26 -5.015 13.247 -5.009 211 H SER 27 HN SER 27 -4.296 11.558 -9.850 212 HA SER 27 HA SER 27 -2.062 9.854 -8.975 213 HB2 SER 27 HB2 SER 27 -1.287 10.114 -11.330 214 HB3 SER 27 HB1 SER 27 -2.944 9.512 -11.252 215 HG SER 27 HG SER 27 -3.440 11.156 -12.449 216 H ALA 28 HN ALA 28 0.171 10.673 -9.416 217 HA ALA 28 HA ALA 28 0.916 13.182 -8.475 218 HB1 ALA 28 HB1 ALA 28 2.367 11.433 -10.484 219 HB2 ALA 28 HB2 ALA 28 2.430 11.266 -8.730 220 HB3 ALA 28 HB3 ALA 28 3.095 12.709 -9.498 221 H ASN 29 HN ASN 29 -0.308 12.311 -11.606 222 HA ASN 29 HA ASN 29 0.497 14.712 -13.006 223 HB2 ASN 29 HB2 ASN 29 0.105 12.533 -14.171 224 HB3 ASN 29 HB1 ASN 29 -1.593 12.605 -13.741 225 HD21 ASN 29 HD21 ASN 29 -2.953 14.060 -14.841 226 HD22 ASN 29 HD22 ASN 29 -2.484 14.819 -16.319 227 H ASP 30 HN ASP 30 -2.281 13.623 -11.107 228 HA ASP 30 HA ASP 30 -4.138 15.678 -11.800 229 HB2 ASP 30 HB2 ASP 30 -4.880 13.515 -10.895 230 HB3 ASP 30 HB1 ASP 30 -4.001 13.796 -9.399 231 H ILE 31 HN ILE 31 -1.488 15.444 -9.536 232 HA ILE 31 HA ILE 31 -2.148 18.085 -8.334 233 HB ILE 31 HB ILE 31 -0.599 15.812 -6.975 234 HG12 ILE 31 HG12 ILE 31 -3.396 16.877 -6.380 235 HG13 ILE 31 HG11 ILE 31 -3.016 15.286 -7.033 236 HG21 ILE 31 HG21 ILE 31 -0.602 17.271 -4.962 237 HG22 ILE 31 HG22 ILE 31 -1.391 18.545 -5.893 238 HG23 ILE 31 HG23 ILE 31 0.245 18.032 -6.312 239 HD11 ILE 31 HD11 ILE 31 -2.345 16.307 -4.271 240 HD12 ILE 31 HD12 ILE 31 -1.881 14.726 -4.905 241 HD13 ILE 31 HD13 ILE 31 -3.586 15.130 -4.696 242 H ASP 32 HN ASP 32 -0.860 19.452 -9.430 243 HA ASP 32 HA ASP 32 1.541 18.863 -10.789 244 HB2 ASP 32 HB2 ASP 32 0.154 20.871 -11.300 245 HB3 ASP 32 HB1 ASP 32 0.601 21.581 -9.752 246 H ALA 33 HN ALA 33 0.920 20.014 -7.534 247 HA ALA 33 HA ALA 33 3.556 20.662 -6.728 248 HB1 ALA 33 HB1 ALA 33 2.626 20.640 -4.455 249 HB2 ALA 33 HB2 ALA 33 1.183 19.807 -5.044 250 HB3 ALA 33 HB3 ALA 33 1.531 21.453 -5.575 251 H TRP 34 HN TRP 34 2.111 17.568 -7.242 252 HA TRP 34 HA TRP 34 3.802 16.151 -5.324 253 HB2 TRP 34 HB2 TRP 34 1.304 15.675 -5.771 254 HB3 TRP 34 HB1 TRP 34 1.810 14.950 -7.288 255 HD1 TRP 34 HD1 TRP 34 4.387 13.910 -4.891 256 HE1 TRP 34 HE1 TRP 34 3.851 11.599 -3.908 257 HE3 TRP 34 HE3 TRP 34 -0.495 13.521 -6.337 258 HZ2 TRP 34 HZ2 TRP 34 1.664 9.849 -3.744 259 HZ3 TRP 34 HZ3 TRP 34 -1.743 11.491 -5.733 260 HH2 TRP 34 HH2 TRP 34 -0.684 9.690 -4.460 261 H ASP 35 HN ASP 35 5.576 17.222 -6.804 262 HA ASP 35 HA ASP 35 6.463 15.777 -9.128 263 HB2 ASP 35 HB2 ASP 35 7.897 17.625 -7.171 264 HB3 ASP 35 HB1 ASP 35 8.708 16.912 -8.561 265 H SER 36 HN SER 36 8.462 14.415 -9.198 266 HA SER 36 HA SER 36 8.570 12.147 -7.728 267 HB2 SER 36 HB2 SER 36 11.124 13.489 -8.702 268 HB3 SER 36 HB1 SER 36 10.768 11.760 -8.634 269 H LEU 37 HN LEU 37 10.217 15.116 -6.997 270 HA LEU 37 HA LEU 37 11.793 14.343 -4.775 271 HB2 LEU 37 HB2 LEU 37 10.683 17.102 -5.456 272 HB3 LEU 37 HB1 LEU 37 11.956 16.786 -4.299 273 HG LEU 37 HG LEU 37 13.034 17.663 -6.211 274 HD11 LEU 37 HD11 LEU 37 14.513 15.884 -6.985 275 HD12 LEU 37 HD12 LEU 37 13.405 14.664 -6.353 276 HD13 LEU 37 HD13 LEU 37 14.224 15.774 -5.249 277 HD21 LEU 37 HD21 LEU 37 11.601 15.684 -8.011 278 HD22 LEU 37 HD22 LEU 37 12.755 16.924 -8.503 279 HD23 LEU 37 HD23 LEU 37 11.195 17.397 -7.836 280 H SER 38 HN SER 38 8.590 15.778 -5.091 281 HA SER 38 HA SER 38 8.011 16.111 -2.323 282 HB2 SER 38 HB2 SER 38 6.098 15.978 -4.692 283 HB3 SER 38 HB1 SER 38 5.784 16.718 -3.116 284 HG SER 38 HG SER 38 7.509 18.184 -3.578 285 H HIS 39 HN HIS 39 7.490 13.470 -4.633 286 HA HIS 39 HA HIS 39 5.809 11.771 -3.152 287 HB2 HIS 39 HB2 HIS 39 8.001 11.140 -5.165 288 HB3 HIS 39 HB1 HIS 39 7.122 9.844 -4.365 289 HD2 HIS 39 HD2 HIS 39 6.605 12.539 -7.081 290 HE1 HIS 39 HE1 HIS 39 3.273 9.974 -7.027 291 HE2 HIS 39 HE2 HIS 39 4.287 12.043 -8.067 292 H MET 40 HN MET 40 9.354 12.086 -3.125 293 HA MET 40 HA MET 40 9.943 9.968 -1.400 294 HB2 MET 40 HB2 MET 40 11.467 12.577 -1.822 295 HB3 MET 40 HB1 MET 40 12.114 11.165 -0.987 296 HG2 MET 40 HG2 MET 40 11.321 11.343 -3.903 297 HG3 MET 40 HG1 MET 40 12.950 11.188 -3.246 298 HE1 MET 40 HE1 MET 40 12.451 8.961 -0.899 299 HE2 MET 40 HE2 MET 40 13.830 8.902 -2.000 300 HE3 MET 40 HE3 MET 40 12.810 7.479 -1.792 301 H ASN 41 HN ASN 41 9.335 13.395 -0.653 302 HA ASN 41 HA ASN 41 9.564 13.198 2.179 303 HB2 ASN 41 HB2 ASN 41 8.162 15.268 0.432 304 HB3 ASN 41 HB1 ASN 41 8.308 15.420 2.182 305 HD21 ASN 41 HD21 ASN 41 10.029 15.468 -0.857 306 HD22 ASN 41 HD22 ASN 41 11.480 16.177 -0.251 307 H LEU 42 HN LEU 42 6.831 12.884 -0.049 308 HA LEU 42 HA LEU 42 4.732 12.898 1.830 309 HB2 LEU 42 HB2 LEU 42 4.527 13.281 -0.647 310 HB3 LEU 42 HB1 LEU 42 4.808 11.578 -0.927 311 HG LEU 42 HG LEU 42 2.383 12.484 -1.077 312 HD11 LEU 42 HD11 LEU 42 2.849 10.100 -1.114 313 HD12 LEU 42 HD12 LEU 42 1.374 10.430 -0.212 314 HD13 LEU 42 HD13 LEU 42 2.867 10.045 0.648 315 HD21 LEU 42 HD21 LEU 42 1.107 12.624 0.991 316 HD22 LEU 42 HD22 LEU 42 2.401 13.816 0.980 317 HD23 LEU 42 HD23 LEU 42 2.564 12.347 1.947 318 H ILE 43 HN ILE 43 6.455 10.183 0.319 319 HA ILE 43 HA ILE 43 4.971 8.109 1.542 320 HB ILE 43 HB ILE 43 7.503 8.220 -0.091 321 HG12 ILE 43 HG12 ILE 43 6.289 6.561 -1.519 322 HG13 ILE 43 HG11 ILE 43 4.958 6.557 -0.373 323 HG21 ILE 43 HG21 ILE 43 7.937 5.798 0.131 324 HG22 ILE 43 HG22 ILE 43 6.735 5.698 1.418 325 HG23 ILE 43 HG23 ILE 43 8.199 6.656 1.651 326 HD11 ILE 43 HD11 ILE 43 4.506 8.901 -0.920 327 HD12 ILE 43 HD12 ILE 43 4.450 7.857 -2.340 328 HD13 ILE 43 HD13 ILE 43 5.853 8.885 -2.062 329 H VAL 44 HN VAL 44 8.153 9.601 2.409 330 HA VAL 44 HA VAL 44 8.583 7.857 4.622 331 HB VAL 44 HB VAL 44 10.354 9.371 5.343 332 HG11 VAL 44 HG11 VAL 44 11.817 9.227 3.357 333 HG12 VAL 44 HG12 VAL 44 10.407 8.908 2.343 334 HG13 VAL 44 HG13 VAL 44 10.881 7.745 3.585 335 HG21 VAL 44 HG21 VAL 44 9.340 11.548 4.888 336 HG22 VAL 44 HG22 VAL 44 9.437 11.255 3.153 337 HG23 VAL 44 HG23 VAL 44 10.917 11.436 4.099 338 H SER 45 HN SER 45 6.803 10.874 4.286 339 HA SER 45 HA SER 45 6.311 11.332 7.059 340 HB2 SER 45 HB2 SER 45 4.752 12.174 4.590 341 HB3 SER 45 HB1 SER 45 4.310 12.669 6.225 342 HG SER 45 HG SER 45 6.818 13.161 4.978 343 H LEU 46 HN LEU 46 4.604 9.383 4.598 344 HA LEU 46 HA LEU 46 2.460 8.507 6.235 345 HB2 LEU 46 HB2 LEU 46 3.814 6.994 3.968 346 HB3 LEU 46 HB1 LEU 46 2.234 6.624 4.641 347 HG LEU 46 HG LEU 46 2.940 9.144 3.072 348 HD11 LEU 46 HD11 LEU 46 1.545 8.208 1.279 349 HD12 LEU 46 HD12 LEU 46 1.290 6.737 2.222 350 HD13 LEU 46 HD13 LEU 46 2.905 7.145 1.639 351 HD21 LEU 46 HD21 LEU 46 0.237 8.222 4.088 352 HD22 LEU 46 HD22 LEU 46 0.557 9.658 3.111 353 HD23 LEU 46 HD23 LEU 46 1.184 9.552 4.751 354 H GLU 47 HN GLU 47 5.777 7.400 5.804 355 HA GLU 47 HA GLU 47 5.582 4.945 7.212 356 HB2 GLU 47 HB2 GLU 47 8.053 6.634 6.624 357 HB3 GLU 47 HB1 GLU 47 8.080 4.973 7.223 358 HG2 GLU 47 HG2 GLU 47 6.817 4.307 5.133 359 HG3 GLU 47 HG1 GLU 47 7.078 5.941 4.536 360 H VAL 48 HN VAL 48 6.795 8.169 8.260 361 HA VAL 48 HA VAL 48 7.426 7.271 10.896 362 HB VAL 48 HB VAL 48 7.723 9.666 11.479 363 HG11 VAL 48 HG11 VAL 48 9.651 10.100 9.993 364 HG12 VAL 48 HG12 VAL 48 9.084 8.850 8.882 365 HG13 VAL 48 HG13 VAL 48 9.602 8.416 10.514 366 HG21 VAL 48 HG21 VAL 48 6.848 10.258 8.626 367 HG22 VAL 48 HG22 VAL 48 7.535 11.432 9.753 368 HG23 VAL 48 HG23 VAL 48 5.974 10.694 10.095 369 H HIS 49 HN HIS 49 4.571 8.953 9.543 370 HA HIS 49 HA HIS 49 3.224 9.392 11.986 371 HB2 HIS 49 HB2 HIS 49 2.305 9.258 9.104 372 HB3 HIS 49 HB1 HIS 49 1.096 9.319 10.377 373 HD1 HIS 49 HD1 HIS 49 0.549 11.573 11.326 374 HD2 HIS 49 HD2 HIS 49 4.023 11.632 9.054 375 HE1 HIS 49 HE1 HIS 49 1.148 13.995 11.085 376 HE2 HIS 49 HE2 HIS 49 3.370 13.980 9.906 377 H TYR 50 HN TYR 50 2.734 6.721 9.612 378 HA TYR 50 HA TYR 50 0.873 5.390 11.455 379 HB2 TYR 50 HB2 TYR 50 1.662 4.712 8.586 380 HB3 TYR 50 HB1 TYR 50 0.403 3.897 9.508 381 HD1 TYR 50 HD1 TYR 50 -1.755 5.047 9.985 382 HD2 TYR 50 HD2 TYR 50 1.278 6.967 7.667 383 HE1 TYR 50 HE1 TYR 50 -3.379 6.742 9.255 384 HE2 TYR 50 HE2 TYR 50 -0.350 8.651 6.937 385 HH TYR 50 HH TYR 50 -2.774 8.898 6.710 386 H LYS 51 HN LYS 51 4.161 5.328 11.085 387 HA LYS 51 HA LYS 51 5.887 3.926 11.381 388 HB2 LYS 51 HB2 LYS 51 3.942 2.647 13.341 389 HB3 LYS 51 HB1 LYS 51 5.633 2.183 13.223 390 HG2 LYS 51 HG2 LYS 51 5.580 3.682 15.040 391 HG3 LYS 51 HG1 LYS 51 6.194 4.651 13.700 392 HD2 LYS 51 HD2 LYS 51 3.831 5.516 13.362 393 HD3 LYS 51 HD1 LYS 51 3.378 4.672 14.848 394 HE2 LYS 51 HE2 LYS 51 5.397 6.924 14.580 395 HE3 LYS 51 HE1 LYS 51 3.804 7.021 15.330 396 HZ1 LYS 51 HZ1 LYS 51 6.131 5.446 16.309 397 HZ2 LYS 51 HZ2 LYS 51 4.587 5.405 16.996 398 HZ3 LYS 51 HZ3 LYS 51 5.478 6.840 17.012 399 H ILE 52 HN ILE 52 4.830 3.461 9.054 400 HA ILE 52 HA ILE 52 4.613 0.520 8.695 401 HB ILE 52 HB ILE 52 3.332 0.977 6.597 402 HG12 ILE 52 HG12 ILE 52 3.361 3.886 7.548 403 HG13 ILE 52 HG11 ILE 52 4.105 3.269 6.078 404 HG21 ILE 52 HG21 ILE 52 1.194 1.566 7.694 405 HG22 ILE 52 HG22 ILE 52 2.081 2.148 9.106 406 HG23 ILE 52 HG23 ILE 52 2.145 0.442 8.666 407 HD11 ILE 52 HD11 ILE 52 1.148 3.404 6.670 408 HD12 ILE 52 HD12 ILE 52 1.860 2.734 5.199 409 HD13 ILE 52 HD13 ILE 52 2.058 4.446 5.578 410 H LYS 53 HN LYS 53 5.539 -0.290 6.682 411 HA LYS 53 HA LYS 53 8.014 1.152 5.893 412 HB2 LYS 53 HB2 LYS 53 8.177 -1.032 7.263 413 HB3 LYS 53 HB1 LYS 53 7.520 -1.877 5.875 414 HG2 LYS 53 HG2 LYS 53 10.130 -0.312 5.836 415 HG3 LYS 53 HG1 LYS 53 10.024 -2.034 6.189 416 HD2 LYS 53 HD2 LYS 53 9.240 -0.700 3.563 417 HD3 LYS 53 HD1 LYS 53 10.725 -1.603 3.853 418 HE2 LYS 53 HE2 LYS 53 7.920 -2.777 3.973 419 HE3 LYS 53 HE1 LYS 53 9.028 -2.919 2.609 420 HZ1 LYS 53 HZ1 LYS 53 9.448 -4.006 5.333 421 HZ2 LYS 53 HZ2 LYS 53 10.592 -4.060 4.095 422 HZ3 LYS 53 HZ3 LYS 53 9.126 -4.896 3.932 423 H PHE 54 HN PHE 54 7.704 2.001 3.863 424 HA PHE 54 HA PHE 54 6.309 0.439 1.788 425 HB2 PHE 54 HB2 PHE 54 7.494 3.247 1.779 426 HB3 PHE 54 HB1 PHE 54 6.859 2.475 0.332 427 HD1 PHE 54 HD1 PHE 54 5.979 4.002 3.554 428 HD2 PHE 54 HD2 PHE 54 4.422 2.170 0.023 429 HE1 PHE 54 HE1 PHE 54 3.755 4.866 4.083 430 HE2 PHE 54 HE2 PHE 54 2.196 3.059 0.567 431 HZ PHE 54 HZ PHE 54 1.858 4.401 2.592 432 H ALA 55 HN ALA 55 7.405 -0.860 0.494 433 HA ALA 55 HA ALA 55 10.329 -0.711 0.200 434 HB1 ALA 55 HB1 ALA 55 10.093 -2.898 -0.937 435 HB2 ALA 55 HB2 ALA 55 8.337 -2.801 -0.769 436 HB3 ALA 55 HB3 ALA 55 9.356 -2.929 0.667 437 H LEU 56 HN LEU 56 11.279 -0.415 -1.888 438 HA LEU 56 HA LEU 56 10.136 1.511 -3.527 439 HB2 LEU 56 HB2 LEU 56 12.617 0.805 -3.237 440 HB3 LEU 56 HB1 LEU 56 12.315 -0.384 -4.481 441 HG LEU 56 HG LEU 56 13.463 1.791 -5.198 442 HD11 LEU 56 HD11 LEU 56 12.528 0.318 -6.875 443 HD12 LEU 56 HD12 LEU 56 12.320 2.005 -7.338 444 HD13 LEU 56 HD13 LEU 56 10.947 1.084 -6.711 445 HD21 LEU 56 HD21 LEU 56 12.084 3.328 -3.865 446 HD22 LEU 56 HD22 LEU 56 10.691 2.977 -4.892 447 HD23 LEU 56 HD23 LEU 56 12.115 3.772 -5.567 448 H GLY 57 HN GLY 57 10.139 -2.007 -3.889 449 HA2 GLY 57 HA2 GLY 57 8.981 -2.326 -6.411 450 HA3 GLY 57 HA1 GLY 57 8.767 -3.430 -5.056 451 H GLU 58 HN GLU 58 7.365 -2.041 -3.234 452 HA GLU 58 HA GLU 58 4.682 -2.129 -4.093 453 HB2 GLU 58 HB2 GLU 58 5.828 -0.738 -1.631 454 HB3 GLU 58 HB1 GLU 58 4.123 -1.115 -1.882 455 HG2 GLU 58 HG2 GLU 58 4.710 -3.535 -1.927 456 HG3 GLU 58 HG1 GLU 58 6.385 -3.114 -1.570 457 H LEU 59 HN LEU 59 6.956 0.559 -3.840 458 HA LEU 59 HA LEU 59 5.106 2.692 -4.201 459 HB2 LEU 59 HB2 LEU 59 8.109 2.604 -4.695 460 HB3 LEU 59 HB1 LEU 59 7.139 4.075 -4.670 461 HG LEU 59 HG LEU 59 7.610 2.207 -2.310 462 HD11 LEU 59 HD11 LEU 59 8.631 5.023 -2.790 463 HD12 LEU 59 HD12 LEU 59 9.586 3.538 -2.832 464 HD13 LEU 59 HD13 LEU 59 8.859 4.070 -1.318 465 HD21 LEU 59 HD21 LEU 59 5.369 3.118 -2.166 466 HD22 LEU 59 HD22 LEU 59 5.965 4.754 -2.459 467 HD23 LEU 59 HD23 LEU 59 6.394 3.909 -0.971 468 H GLN 60 HN GLN 60 7.097 0.808 -6.462 469 HA GLN 60 HA GLN 60 6.237 2.198 -8.820 470 HB2 GLN 60 HB2 GLN 60 7.414 -0.597 -8.563 471 HB3 GLN 60 HB1 GLN 60 7.266 0.315 -10.063 472 HG2 GLN 60 HG2 GLN 60 8.977 1.120 -7.688 473 HG3 GLN 60 HG1 GLN 60 9.568 0.292 -9.124 474 HE21 GLN 60 HE21 GLN 60 11.024 1.922 -9.635 475 HE22 GLN 60 HE22 GLN 60 10.546 3.478 -10.201 476 H LYS 61 HN LYS 61 4.806 -0.316 -6.869 477 HA LYS 61 HA LYS 61 2.859 -1.132 -8.868 478 HB2 LYS 61 HB2 LYS 61 2.835 -1.678 -5.865 479 HB3 LYS 61 HB1 LYS 61 1.783 -2.433 -7.059 480 HG2 LYS 61 HG2 LYS 61 4.771 -2.808 -6.735 481 HG3 LYS 61 HG1 LYS 61 3.507 -4.007 -6.473 482 HD2 LYS 61 HD2 LYS 61 4.234 -2.771 -9.167 483 HD3 LYS 61 HD1 LYS 61 4.767 -4.355 -8.605 484 HE2 LYS 61 HE2 LYS 61 2.508 -5.211 -8.661 485 HE3 LYS 61 HE1 LYS 61 1.845 -3.602 -8.955 486 HZ1 LYS 61 HZ1 LYS 61 2.870 -3.564 -11.093 487 HZ2 LYS 61 HZ2 LYS 61 1.970 -4.986 -10.949 488 HZ3 LYS 61 HZ3 LYS 61 3.654 -5.039 -10.809 489 H LEU 62 HN LEU 62 3.167 1.568 -6.799 490 HA LEU 62 HA LEU 62 0.340 2.184 -6.579 491 HB2 LEU 62 HB2 LEU 62 2.772 3.995 -6.217 492 HB3 LEU 62 HB1 LEU 62 1.121 4.381 -5.741 493 HG LEU 62 HG LEU 62 2.821 2.157 -4.524 494 HD11 LEU 62 HD11 LEU 62 3.690 4.360 -3.915 495 HD12 LEU 62 HD12 LEU 62 2.955 3.574 -2.522 496 HD13 LEU 62 HD13 LEU 62 2.090 4.866 -3.360 497 HD21 LEU 62 HD21 LEU 62 1.033 1.964 -2.830 498 HD22 LEU 62 HD22 LEU 62 0.439 1.590 -4.444 499 HD23 LEU 62 HD23 LEU 62 0.062 3.151 -3.711 500 H LYS 63 HN LYS 63 -0.848 3.400 -8.023 501 HA LYS 63 HA LYS 63 0.518 4.701 -10.310 502 HB2 LYS 63 HB2 LYS 63 -0.716 2.735 -11.029 503 HB3 LYS 63 HB1 LYS 63 -2.158 3.233 -10.166 504 HG2 LYS 63 HG2 LYS 63 -1.104 4.974 -12.390 505 HG3 LYS 63 HG1 LYS 63 -1.957 3.483 -12.793 506 HD2 LYS 63 HD2 LYS 63 -3.883 4.280 -11.383 507 HD3 LYS 63 HD1 LYS 63 -3.043 5.816 -11.170 508 HE2 LYS 63 HE2 LYS 63 -3.133 6.189 -13.613 509 HE3 LYS 63 HE1 LYS 63 -3.982 4.651 -13.818 510 HZ1 LYS 63 HZ1 LYS 63 -5.748 5.547 -12.355 511 HZ2 LYS 63 HZ2 LYS 63 -5.569 6.420 -13.789 512 HZ3 LYS 63 HZ3 LYS 63 -4.954 7.041 -12.343 513 H ASN 64 HN ASN 64 -2.039 4.855 -7.883 514 HA ASN 64 HA ASN 64 -1.941 7.751 -7.807 515 HB2 ASN 64 HB2 ASN 64 -4.461 7.980 -8.077 516 HB3 ASN 64 HB1 ASN 64 -3.576 7.622 -9.545 517 HD21 ASN 64 HD21 ASN 64 -4.466 5.152 -7.139 518 HD22 ASN 64 HD22 ASN 64 -5.599 4.359 -8.149 519 H VAL 65 HN VAL 65 -3.944 8.414 -6.127 520 HA VAL 65 HA VAL 65 -3.056 7.307 -3.632 521 HB VAL 65 HB VAL 65 -5.419 9.215 -4.013 522 HG11 VAL 65 HG11 VAL 65 -4.965 9.923 -1.702 523 HG12 VAL 65 HG12 VAL 65 -3.608 8.798 -1.597 524 HG13 VAL 65 HG13 VAL 65 -5.252 8.186 -1.749 525 HG21 VAL 65 HG21 VAL 65 -2.504 9.936 -3.573 526 HG22 VAL 65 HG22 VAL 65 -3.858 11.068 -3.656 527 HG23 VAL 65 HG23 VAL 65 -3.398 10.142 -5.081 528 H GLY 66 HN GLY 66 -5.628 6.465 -5.789 529 HA2 GLY 66 HA2 GLY 66 -7.323 5.039 -3.984 530 HA3 GLY 66 HA1 GLY 66 -7.173 4.761 -5.717 531 H ASP 67 HN ASP 67 -4.372 4.204 -5.755 532 HA ASP 67 HA ASP 67 -4.183 1.502 -4.876 533 HB2 ASP 67 HB2 ASP 67 -2.010 3.440 -5.775 534 HB3 ASP 67 HB1 ASP 67 -1.711 1.740 -5.417 535 H LEU 68 HN LEU 68 -2.978 4.616 -3.550 536 HA LEU 68 HA LEU 68 -1.718 3.546 -1.239 537 HB2 LEU 68 HB2 LEU 68 -2.798 6.304 -1.901 538 HB3 LEU 68 HB1 LEU 68 -2.246 5.955 -0.283 539 HG LEU 68 HG LEU 68 -0.498 7.112 -1.430 540 HD11 LEU 68 HD11 LEU 68 0.258 4.195 -1.201 541 HD12 LEU 68 HD12 LEU 68 0.220 5.376 0.111 542 HD13 LEU 68 HD13 LEU 68 1.371 5.568 -1.210 543 HD21 LEU 68 HD21 LEU 68 -0.616 4.994 -3.598 544 HD22 LEU 68 HD22 LEU 68 0.566 6.303 -3.495 545 HD23 LEU 68 HD23 LEU 68 -1.139 6.674 -3.744 546 H ALA 69 HN ALA 69 -5.090 4.215 -1.962 547 HA ALA 69 HA ALA 69 -6.086 4.262 0.700 548 HB1 ALA 69 HB1 ALA 69 -8.297 3.860 -0.299 549 HB2 ALA 69 HB2 ALA 69 -7.544 3.410 -1.833 550 HB3 ALA 69 HB3 ALA 69 -7.413 5.063 -1.238 551 H ASP 70 HN ASP 70 -5.965 1.759 -1.761 552 HA ASP 70 HA ASP 70 -6.804 -0.422 -0.168 553 HB2 ASP 70 HB2 ASP 70 -6.826 -0.353 -2.694 554 HB3 ASP 70 HB1 ASP 70 -5.074 -0.518 -2.685 555 H LEU 71 HN LEU 71 -3.579 0.841 -0.965 556 HA LEU 71 HA LEU 71 -2.068 -1.371 -0.003 557 HB2 LEU 71 HB2 LEU 71 -1.364 0.183 -1.846 558 HB3 LEU 71 HB1 LEU 71 -1.106 1.446 -0.670 559 HG LEU 71 HG LEU 71 0.979 0.334 -1.570 560 HD11 LEU 71 HD11 LEU 71 2.204 0.236 0.520 561 HD12 LEU 71 HD12 LEU 71 0.692 0.160 1.427 562 HD13 LEU 71 HD13 LEU 71 1.089 1.603 0.494 563 HD21 LEU 71 HD21 LEU 71 1.689 -1.836 -0.757 564 HD22 LEU 71 HD22 LEU 71 0.187 -1.980 -1.671 565 HD23 LEU 71 HD23 LEU 71 0.153 -2.057 0.093 566 H VAL 72 HN VAL 72 -2.394 2.003 1.303 567 HA VAL 72 HA VAL 72 -1.012 1.436 3.714 568 HB VAL 72 HB VAL 72 -3.030 3.670 3.227 569 HG11 VAL 72 HG11 VAL 72 -2.581 3.362 5.636 570 HG12 VAL 72 HG12 VAL 72 -1.887 4.879 5.063 571 HG13 VAL 72 HG13 VAL 72 -0.844 3.480 5.339 572 HG21 VAL 72 HG21 VAL 72 -1.050 5.097 2.718 573 HG22 VAL 72 HG22 VAL 72 -1.262 3.789 1.553 574 HG23 VAL 72 HG23 VAL 72 -0.021 3.662 2.806 575 H ASP 73 HN ASP 73 -4.422 0.995 2.778 576 HA ASP 73 HA ASP 73 -5.330 0.285 5.415 577 HB2 ASP 73 HB2 ASP 73 -6.891 0.899 3.538 578 HB3 ASP 73 HB1 ASP 73 -6.506 -0.629 2.753 579 H LYS 74 HN LYS 74 -3.719 -1.442 2.821 580 HA LYS 74 HA LYS 74 -3.958 -4.093 3.910 581 HB2 LYS 74 HB2 LYS 74 -1.801 -3.011 2.042 582 HB3 LYS 74 HB1 LYS 74 -1.964 -4.702 2.498 583 HG2 LYS 74 HG2 LYS 74 -3.866 -3.058 0.822 584 HG3 LYS 74 HG1 LYS 74 -2.873 -4.416 0.305 585 HD2 LYS 74 HD2 LYS 74 -4.231 -5.910 1.793 586 HD3 LYS 74 HD1 LYS 74 -5.255 -4.526 2.197 587 HE2 LYS 74 HE2 LYS 74 -5.824 -4.311 -0.241 588 HE3 LYS 74 HE1 LYS 74 -4.899 -5.785 -0.546 589 HZ1 LYS 74 HZ1 LYS 74 -7.293 -5.549 1.185 590 HZ2 LYS 74 HZ2 LYS 74 -6.404 -6.967 0.938 591 HZ3 LYS 74 HZ3 LYS 74 -7.231 -6.254 -0.351 592 H LYS 75 HN LYS 75 -1.685 -1.415 4.384 593 HA LYS 75 HA LYS 75 0.211 -2.723 6.018 594 HB2 LYS 75 HB2 LYS 75 -0.655 0.206 5.978 595 HB3 LYS 75 HB1 LYS 75 0.775 -0.404 6.805 596 HG2 LYS 75 HG2 LYS 75 0.289 -0.457 3.810 597 HG3 LYS 75 HG1 LYS 75 1.356 0.654 4.674 598 HD2 LYS 75 HD2 LYS 75 2.755 -1.269 5.391 599 HD3 LYS 75 HD1 LYS 75 1.690 -2.371 4.514 600 HE2 LYS 75 HE2 LYS 75 2.308 -1.229 2.389 601 HE3 LYS 75 HE1 LYS 75 3.405 -0.178 3.294 602 HZ1 LYS 75 HZ1 LYS 75 3.594 -3.132 3.151 603 HZ2 LYS 75 HZ2 LYS 75 4.666 -2.099 3.957 604 HZ3 LYS 75 HZ3 LYS 75 4.543 -2.043 2.275 605 H LEU 76 HN LEU 76 -2.718 -0.847 6.769 606 HA LEU 76 HA LEU 76 -2.700 -1.225 9.591 607 HB2 LEU 76 HB2 LEU 76 -5.016 -0.570 7.726 608 HB3 LEU 76 HB1 LEU 76 -5.063 -0.423 9.478 609 HG LEU 76 HG LEU 76 -3.296 1.210 7.603 610 HD11 LEU 76 HD11 LEU 76 -5.643 1.851 7.424 611 HD12 LEU 76 HD12 LEU 76 -4.708 3.119 8.206 612 HD13 LEU 76 HD13 LEU 76 -5.746 2.069 9.176 613 HD21 LEU 76 HD21 LEU 76 -3.586 1.435 10.621 614 HD22 LEU 76 HD22 LEU 76 -2.671 2.534 9.586 615 HD23 LEU 76 HD23 LEU 76 -2.163 0.857 9.748 616 H ALA 77 HN ALA 77 -3.822 -3.181 6.923 617 HA ALA 77 HA ALA 77 -5.394 -5.070 8.431 618 HB1 ALA 77 HB1 ALA 77 -5.792 -4.667 6.019 619 HB2 ALA 77 HB2 ALA 77 -5.459 -6.370 6.347 620 HB3 ALA 77 HB3 ALA 77 -4.204 -5.337 5.652 621 H ARG 78 HN ARG 78 -2.031 -4.635 7.727 622 HA ARG 78 HA ARG 78 -1.237 -7.278 8.650 623 HB2 ARG 78 HB2 ARG 78 0.443 -4.802 8.070 624 HB3 ARG 78 HB1 ARG 78 1.090 -6.385 8.491 625 HG2 ARG 78 HG2 ARG 78 -0.458 -5.691 5.977 626 HG3 ARG 78 HG1 ARG 78 1.279 -5.963 6.098 627 HD2 ARG 78 HD2 ARG 78 -0.906 -8.025 6.573 628 HD3 ARG 78 HD1 ARG 78 0.167 -7.938 5.173 629 HE ARG 78 HE ARG 78 1.728 -8.122 7.517 630 HH11 ARG 78 HH11 ARG 78 -0.383 -10.163 5.581 631 HH12 ARG 78 HH12 ARG 78 0.381 -11.630 6.099 632 HH21 ARG 78 HH21 ARG 78 2.688 -10.033 8.190 633 HH22 ARG 78 HH22 ARG 78 2.119 -11.555 7.586 634 H LYS 79 HN LYS 79 -1.799 -4.073 10.039 635 HA LYS 79 HA LYS 79 -0.039 -4.340 12.291 636 HB2 LYS 79 HB2 LYS 79 -2.401 -2.458 11.850 637 HB3 LYS 79 HB1 LYS 79 -1.301 -2.348 13.221 638 HG2 LYS 79 HG2 LYS 79 -0.577 -1.969 10.302 639 HG3 LYS 79 HG1 LYS 79 -0.749 -0.694 11.513 640 HD2 LYS 79 HD2 LYS 79 1.161 -1.638 12.778 641 HD3 LYS 79 HD1 LYS 79 1.328 -2.926 11.578 642 HE2 LYS 79 HE2 LYS 79 1.838 -1.228 9.847 643 HE3 LYS 79 HE1 LYS 79 1.686 0.045 11.062 644 HZ1 LYS 79 HZ1 LYS 79 3.982 -0.594 10.652 645 HZ2 LYS 79 HZ2 LYS 79 3.647 -2.170 11.156 646 HZ3 LYS 79 HZ3 LYS 79 3.525 -0.894 12.252 647 H LEU 80 HN LEU 80 -3.613 -4.028 12.458 648 HA LEU 80 HA LEU 80 -5.089 -4.477 14.076 649 HB2 LEU 80 HB2 LEU 80 -3.752 -7.163 13.742 650 HB3 LEU 80 HB1 LEU 80 -5.108 -6.961 14.827 651 HG LEU 80 HG LEU 80 -5.919 -7.875 12.756 652 HD11 LEU 80 HD11 LEU 80 -7.422 -6.294 13.855 653 HD12 LEU 80 HD12 LEU 80 -7.629 -6.256 12.108 654 HD13 LEU 80 HD13 LEU 80 -6.742 -4.960 12.914 655 HD21 LEU 80 HD21 LEU 80 -5.709 -6.758 10.588 656 HD22 LEU 80 HD22 LEU 80 -4.135 -7.189 11.249 657 HD23 LEU 80 HD23 LEU 80 -4.685 -5.514 11.314 658 H GLU 81 HN GLU 81 -2.348 -6.372 15.443 659 HA GLU 81 HA GLU 81 -2.982 -5.966 18.133 660 HB2 GLU 81 HB2 GLU 81 -0.271 -6.612 16.908 661 HB3 GLU 81 HB1 GLU 81 -0.667 -6.768 18.620 662 HG2 GLU 81 HG2 GLU 81 -2.430 -8.422 18.016 663 HG3 GLU 81 HG1 GLU 81 -1.897 -8.329 16.337 664 H HIS 82 HN HIS 82 -0.569 -4.177 16.144 665 HA HIS 82 HA HIS 82 0.129 -2.312 18.208 666 HB2 HIS 82 HB2 HIS 82 0.537 -2.245 15.191 667 HB3 HIS 82 HB1 HIS 82 0.975 -0.872 16.205 668 HD1 HIS 82 HD1 HIS 82 3.335 -1.709 14.939 669 HD2 HIS 82 HD2 HIS 82 1.932 -3.907 18.170 670 HE1 HIS 82 HE1 HIS 82 5.320 -2.991 15.794 671 HE2 HIS 82 HE2 HIS 82 4.464 -4.226 17.812 672 H HIS 83 HN HIS 83 -1.657 -1.499 19.116 673 HA HIS 83 HA HIS 83 -3.860 -0.395 17.593 674 HB2 HIS 83 HB2 HIS 83 -4.817 0.144 19.882 675 HB3 HIS 83 HB1 HIS 83 -4.483 -1.559 19.601 676 HD1 HIS 83 HD1 HIS 83 -2.933 1.415 21.397 677 HD2 HIS 83 HD2 HIS 83 -2.941 -2.734 21.521 678 HE1 HIS 83 HE1 HIS 83 -1.649 0.806 23.465 679 HE2 HIS 83 HE2 HIS 83 -1.476 -1.704 23.386 680 H HIS 84 HN HIS 84 -4.138 1.646 17.045 681 HA HIS 84 HA HIS 84 -2.187 3.690 17.618 682 HB2 HIS 84 HB2 HIS 84 -3.649 5.131 16.191 683 HB3 HIS 84 HB1 HIS 84 -3.196 3.630 15.406 684 HD1 HIS 84 HD1 HIS 84 -5.041 2.188 14.539 685 HD2 HIS 84 HD2 HIS 84 -6.445 5.181 17.046 686 HE1 HIS 84 HE1 HIS 84 -7.537 2.030 14.431 687 HE2 HIS 84 HE2 HIS 84 -8.360 3.978 15.791 688 H HIS 85 HN HIS 85 -5.169 2.651 19.017 689 HA HIS 85 HA HIS 85 -5.128 4.888 20.962 690 HB2 HIS 85 HB2 HIS 85 -7.021 5.211 19.360 691 HB3 HIS 85 HB1 HIS 85 -7.621 3.596 19.717 692 HD1 HIS 85 HD1 HIS 85 -8.772 3.259 22.058 693 HD2 HIS 85 HD2 HIS 85 -7.707 7.183 21.210 694 HE1 HIS 85 HE1 HIS 85 -9.931 4.654 23.785 695 HE2 HIS 85 HE2 HIS 85 -9.425 7.029 23.126 696 H HIS 86 HN HIS 86 -5.281 4.197 23.097 697 HA HIS 86 HA HIS 86 -5.082 1.394 23.674 698 HB2 HIS 86 HB2 HIS 86 -4.928 2.027 26.040 699 HB3 HIS 86 HB1 HIS 86 -3.897 3.060 25.071 700 HD1 HIS 86 HD1 HIS 86 -6.861 3.122 27.322 701 HD2 HIS 86 HD2 HIS 86 -4.660 5.800 25.033 702 HE1 HIS 86 HE1 HIS 86 -7.612 5.408 28.050 703 HE2 HIS 86 HE2 HIS 86 -6.377 7.002 26.549 704 H HIS 87 HN HIS 87 -6.758 0.092 23.443 705 HA HIS 87 HA HIS 87 -8.785 -0.871 23.467 706 HB2 HIS 87 HB2 HIS 87 -8.762 -0.569 25.894 707 HB3 HIS 87 HB1 HIS 87 -9.366 1.076 25.746 708 HD1 HIS 87 HD1 HIS 87 -11.889 1.332 24.969 709 HD2 HIS 87 HD2 HIS 87 -10.728 -2.542 25.945 710 HE1 HIS 87 HE1 HIS 87 -14.028 0.043 25.270 711 HE2 HIS 87 HE2 HIS 87 -13.299 -2.241 26.012 712 H282 PNS 88 H282 PNS 88 7.165 12.045 -10.785 713 H281 PNS 88 H281 PNS 88 7.413 11.474 -12.439 714 H303 PNS 88 H303 PNS 88 4.165 9.854 -11.316 715 H302 PNS 88 H302 PNS 88 4.708 11.513 -11.056 716 H301 PNS 88 H301 PNS 88 4.891 10.779 -12.646 717 H313 PNS 88 H313 PNS 88 5.517 8.961 -9.475 718 H312 PNS 88 H312 PNS 88 7.246 9.279 -9.363 719 H311 PNS 88 H311 PNS 88 6.096 10.583 -9.064 720 H32 PNS 88 H32 PNS 88 6.906 9.141 -13.088 721 H33 PNS 88 H33 PNS 88 7.826 7.215 -11.730 722 H36 PNS 88 H36 PNS 88 5.867 7.323 -10.197 723 H372 PNS 88 H372 PNS 88 3.375 6.421 -11.230 724 H371 PNS 88 H371 PNS 88 4.628 5.181 -11.409 725 H382 PNS 88 H382 PNS 88 3.452 4.824 -9.325 726 H381 PNS 88 H381 PNS 88 5.096 5.347 -8.971 727 H41 PNS 88 H41 PNS 88 1.887 6.808 -9.608 728 H422 PNS 88 H422 PNS 88 2.336 9.100 -7.904 729 H421 PNS 88 H421 PNS 88 0.871 8.697 -8.797 730 H431 PNS 88 H431 PNS 88 0.333 6.993 -7.056 731 H432 PNS 88 H432 PNS 88 0.382 8.642 -6.435 732 H44 PNS 88 H44 PNS 88 3.299 7.948 -5.791 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -10.259 0.686 4.576 2 H2 MET 1 HT2 MET 1 -9.651 1.311 3.135 3 H3 MET 1 HT3 MET 1 -10.773 0.053 3.101 4 HA MET 1 HA MET 1 -11.750 2.135 2.490 5 HB2 MET 1 HB2 MET 1 -12.764 0.978 5.115 6 HB3 MET 1 HB1 MET 1 -13.669 2.134 4.140 7 HG2 MET 1 HG2 MET 1 -12.810 -0.636 3.258 8 HG3 MET 1 HG1 MET 1 -14.443 -0.139 3.719 9 HE1 MET 1 HE1 MET 1 -15.496 -1.025 1.450 10 HE2 MET 1 HE2 MET 1 -13.915 -1.611 0.929 11 HE3 MET 1 HE3 MET 1 -14.881 -0.607 -0.149 12 HA PRO 2 HA PRO 2 -11.525 5.265 6.089 13 HB2 PRO 2 HB2 PRO 2 -10.468 4.791 8.499 14 HB3 PRO 2 HB1 PRO 2 -11.983 4.006 8.024 15 HG2 PRO 2 HG2 PRO 2 -9.180 2.878 7.999 16 HG3 PRO 2 HG1 PRO 2 -10.672 2.137 8.621 17 HD2 PRO 2 HD2 PRO 2 -9.620 1.626 6.102 18 HD3 PRO 2 HD1 PRO 2 -11.335 1.434 6.518 19 H THR 3 HN THR 3 -9.180 4.535 4.310 20 HA THR 3 HA THR 3 -6.808 5.534 5.600 21 HB THR 3 HB THR 3 -5.821 5.308 3.255 22 HG1 THR 3 HG1 THR 3 -7.394 3.823 1.993 23 HG21 THR 3 HG21 THR 3 -7.178 2.856 4.437 24 HG22 THR 3 HG22 THR 3 -5.619 3.514 4.940 25 HG23 THR 3 HG23 THR 3 -5.809 2.847 3.319 26 H LEU 4 HN LEU 4 -8.788 6.716 2.790 27 HA LEU 4 HA LEU 4 -7.290 8.977 2.192 28 HB2 LEU 4 HB2 LEU 4 -10.271 8.512 1.830 29 HB3 LEU 4 HB1 LEU 4 -9.406 9.863 1.113 30 HG LEU 4 HG LEU 4 -8.949 6.917 0.480 31 HD11 LEU 4 HD11 LEU 4 -10.194 9.127 -1.188 32 HD12 LEU 4 HD12 LEU 4 -11.044 7.765 -0.452 33 HD13 LEU 4 HD13 LEU 4 -9.867 7.480 -1.731 34 HD21 LEU 4 HD21 LEU 4 -7.408 7.707 -1.285 35 HD22 LEU 4 HD22 LEU 4 -6.830 8.156 0.316 36 HD23 LEU 4 HD23 LEU 4 -7.593 9.368 -0.717 37 H ASP 5 HN ASP 5 -9.931 8.660 4.502 38 HA ASP 5 HA ASP 5 -10.335 11.242 5.426 39 HB2 ASP 5 HB2 ASP 5 -11.719 9.403 6.213 40 HB3 ASP 5 HB1 ASP 5 -10.326 8.560 6.879 41 H ALA 6 HN ALA 6 -8.026 8.840 6.614 42 HA ALA 6 HA ALA 6 -6.682 10.577 8.462 43 HB1 ALA 6 HB1 ALA 6 -5.221 8.626 8.835 44 HB2 ALA 6 HB2 ALA 6 -5.938 7.813 7.440 45 HB3 ALA 6 HB3 ALA 6 -6.923 8.162 8.864 46 H LEU 7 HN LEU 7 -6.271 9.766 5.096 47 HA LEU 7 HA LEU 7 -3.475 10.413 4.893 48 HB2 LEU 7 HB2 LEU 7 -5.568 9.923 2.742 49 HB3 LEU 7 HB1 LEU 7 -3.878 10.249 2.397 50 HG LEU 7 HG LEU 7 -5.001 7.799 3.808 51 HD11 LEU 7 HD11 LEU 7 -4.131 6.550 1.886 52 HD12 LEU 7 HD12 LEU 7 -3.597 8.055 1.132 53 HD13 LEU 7 HD13 LEU 7 -5.319 7.754 1.390 54 HD21 LEU 7 HD21 LEU 7 -2.702 6.933 3.903 55 HD22 LEU 7 HD22 LEU 7 -2.889 8.388 4.877 56 HD23 LEU 7 HD23 LEU 7 -2.087 8.477 3.305 57 H THR 8 HN THR 8 -6.510 12.141 4.507 58 HA THR 8 HA THR 8 -5.774 14.245 2.877 59 HB THR 8 HB THR 8 -7.782 14.280 5.163 60 HG1 THR 8 HG1 THR 8 -8.658 12.942 3.757 61 HG21 THR 8 HG21 THR 8 -8.841 16.189 3.989 62 HG22 THR 8 HG22 THR 8 -7.506 16.223 2.836 63 HG23 THR 8 HG23 THR 8 -7.211 16.604 4.533 64 HA PRO 9 HA PRO 9 -4.139 16.832 6.796 65 HB2 PRO 9 HB2 PRO 9 -3.401 14.544 8.620 66 HB3 PRO 9 HB1 PRO 9 -4.006 16.160 9.027 67 HG2 PRO 9 HG2 PRO 9 -5.635 14.065 9.183 68 HG3 PRO 9 HG1 PRO 9 -6.227 15.598 8.506 69 HD2 PRO 9 HD2 PRO 9 -5.348 13.103 7.047 70 HD3 PRO 9 HD1 PRO 9 -6.767 14.135 6.754 71 H ILE 10 HN ILE 10 -2.863 13.619 5.948 72 HA ILE 10 HA ILE 10 -0.099 14.181 6.358 73 HB ILE 10 HB ILE 10 -1.264 12.091 4.456 74 HG12 ILE 10 HG12 ILE 10 -2.186 11.773 6.742 75 HG13 ILE 10 HG11 ILE 10 -1.101 10.460 6.313 76 HG21 ILE 10 HG21 ILE 10 0.895 10.903 4.790 77 HG22 ILE 10 HG22 ILE 10 1.485 12.249 5.763 78 HG23 ILE 10 HG23 ILE 10 1.119 12.489 4.054 79 HD11 ILE 10 HD11 ILE 10 -0.813 11.105 8.618 80 HD12 ILE 10 HD12 ILE 10 -0.469 12.769 8.149 81 HD13 ILE 10 HD13 ILE 10 0.650 11.477 7.708 82 H PHE 11 HN PHE 11 -2.076 14.045 3.363 83 HA PHE 11 HA PHE 11 0.001 14.806 1.576 84 HB2 PHE 11 HB2 PHE 11 -3.027 14.705 1.269 85 HB3 PHE 11 HB1 PHE 11 -1.972 15.217 -0.042 86 HD1 PHE 11 HD1 PHE 11 -2.061 12.340 2.409 87 HD2 PHE 11 HD2 PHE 11 -1.616 13.565 -1.657 88 HE1 PHE 11 HE1 PHE 11 -1.841 9.993 1.726 89 HE2 PHE 11 HE2 PHE 11 -1.394 11.214 -2.323 90 HZ PHE 11 HZ PHE 11 -1.506 9.428 -0.645 91 H ARG 12 HN ARG 12 -2.672 16.602 3.115 92 HA ARG 12 HA ARG 12 -2.116 19.126 1.967 93 HB2 ARG 12 HB2 ARG 12 -3.580 18.359 4.515 94 HB3 ARG 12 HB1 ARG 12 -3.424 20.036 3.988 95 HG2 ARG 12 HG2 ARG 12 -4.567 19.408 1.839 96 HG3 ARG 12 HG1 ARG 12 -4.816 17.785 2.493 97 HD2 ARG 12 HD2 ARG 12 -6.167 18.736 4.331 98 HD3 ARG 12 HD1 ARG 12 -5.921 20.363 3.678 99 HE ARG 12 HE ARG 12 -6.970 18.899 1.606 100 HH11 ARG 12 HH11 ARG 12 -8.119 19.775 4.808 101 HH12 ARG 12 HH12 ARG 12 -9.789 19.671 4.354 102 HH21 ARG 12 HH21 ARG 12 -9.142 18.732 1.044 103 HH22 ARG 12 HH22 ARG 12 -10.373 19.059 2.222 104 H GLN 13 HN GLN 13 -0.586 17.446 4.682 105 HA GLN 13 HA GLN 13 0.787 19.800 5.630 106 HB2 GLN 13 HB2 GLN 13 0.266 17.779 7.069 107 HB3 GLN 13 HB1 GLN 13 1.506 16.895 6.185 108 HG2 GLN 13 HG2 GLN 13 3.216 18.518 6.973 109 HG3 GLN 13 HG1 GLN 13 1.960 19.398 7.850 110 HE21 GLN 13 HE21 GLN 13 3.970 16.565 7.809 111 HE22 GLN 13 HE22 GLN 13 3.593 16.018 9.400 112 H VAL 14 HN VAL 14 1.771 16.902 3.818 113 HA VAL 14 HA VAL 14 4.444 17.459 3.353 114 HB VAL 14 HB VAL 14 2.477 15.807 1.708 115 HG11 VAL 14 HG11 VAL 14 4.360 16.394 0.234 116 HG12 VAL 14 HG12 VAL 14 4.443 14.686 0.668 117 HG13 VAL 14 HG13 VAL 14 5.513 15.850 1.454 118 HG21 VAL 14 HG21 VAL 14 3.539 13.877 2.858 119 HG22 VAL 14 HG22 VAL 14 2.822 15.002 4.011 120 HG23 VAL 14 HG23 VAL 14 4.570 14.986 3.767 121 H PHE 15 HN PHE 15 1.689 18.133 1.168 122 HA PHE 15 HA PHE 15 3.350 19.653 -0.677 123 HB2 PHE 15 HB2 PHE 15 0.348 19.120 -0.675 124 HB3 PHE 15 HB1 PHE 15 1.215 19.960 -1.958 125 HD1 PHE 15 HD1 PHE 15 2.981 18.704 -3.289 126 HD2 PHE 15 HD2 PHE 15 0.307 16.699 -0.620 127 HE1 PHE 15 HE1 PHE 15 3.491 16.558 -4.379 128 HE2 PHE 15 HE2 PHE 15 0.824 14.556 -1.712 129 HZ PHE 15 HZ PHE 15 2.418 14.484 -3.595 130 H ASP 16 HN ASP 16 1.450 20.313 2.120 131 HA ASP 16 HA ASP 16 0.919 22.129 3.323 132 HB2 ASP 16 HB2 ASP 16 3.341 22.673 3.073 133 HB3 ASP 16 HB1 ASP 16 2.972 23.623 1.639 134 H ASP 17 HN ASP 17 -1.182 22.012 2.482 135 HA ASP 17 HA ASP 17 -2.184 24.275 1.014 136 HB2 ASP 17 HB2 ASP 17 -1.199 22.691 -0.779 137 HB3 ASP 17 HB1 ASP 17 -2.447 21.537 -0.334 138 H ASP 18 HN ASP 18 -4.705 23.612 0.471 139 HA ASP 18 HA ASP 18 -5.857 22.265 2.837 140 HB2 ASP 18 HB2 ASP 18 -7.187 24.125 3.502 141 HB3 ASP 18 HB1 ASP 18 -5.579 24.790 3.254 142 H SER 19 HN SER 19 -6.040 23.192 -0.460 143 HA SER 19 HA SER 19 -8.865 22.531 -0.827 144 HB2 SER 19 HB2 SER 19 -6.800 23.409 -2.886 145 HB3 SER 19 HB1 SER 19 -8.553 23.389 -3.091 146 HG SER 19 HG SER 19 -7.529 24.856 -0.947 147 H ILE 20 HN ILE 20 -5.968 20.825 -0.719 148 HA ILE 20 HA ILE 20 -6.271 18.895 -2.756 149 HB ILE 20 HB ILE 20 -5.003 18.505 -0.004 150 HG12 ILE 20 HG12 ILE 20 -3.712 19.335 -2.647 151 HG13 ILE 20 HG11 ILE 20 -3.921 20.363 -1.233 152 HG21 ILE 20 HG21 ILE 20 -4.634 16.860 -2.541 153 HG22 ILE 20 HG22 ILE 20 -5.490 16.342 -1.089 154 HG23 ILE 20 HG23 ILE 20 -3.751 16.625 -1.028 155 HD11 ILE 20 HD11 ILE 20 -2.382 18.897 0.026 156 HD12 ILE 20 HD12 ILE 20 -1.639 19.609 -1.405 157 HD13 ILE 20 HD13 ILE 20 -2.152 17.924 -1.429 158 H VAL 21 HN VAL 21 -8.147 17.813 -3.016 159 HA VAL 21 HA VAL 21 -9.530 16.627 -0.675 160 HB VAL 21 HB VAL 21 -10.777 17.530 -3.325 161 HG11 VAL 21 HG11 VAL 21 -11.894 15.495 -2.487 162 HG12 VAL 21 HG12 VAL 21 -12.962 16.887 -2.302 163 HG13 VAL 21 HG13 VAL 21 -12.108 16.239 -0.899 164 HG21 VAL 21 HG21 VAL 21 -11.997 19.207 -1.950 165 HG22 VAL 21 HG22 VAL 21 -10.250 19.440 -1.846 166 HG23 VAL 21 HG23 VAL 21 -11.118 18.669 -0.516 167 H LEU 22 HN LEU 22 -8.757 14.610 -0.637 168 HA LEU 22 HA LEU 22 -7.663 13.302 -2.941 169 HB2 LEU 22 HB2 LEU 22 -8.125 12.284 -0.110 170 HB3 LEU 22 HB1 LEU 22 -7.189 11.450 -1.348 171 HG LEU 22 HG LEU 22 -6.481 14.143 -0.107 172 HD11 LEU 22 HD11 LEU 22 -5.176 11.428 0.253 173 HD12 LEU 22 HD12 LEU 22 -6.163 12.276 1.449 174 HD13 LEU 22 HD13 LEU 22 -4.620 12.956 0.942 175 HD21 LEU 22 HD21 LEU 22 -5.733 14.059 -2.446 176 HD22 LEU 22 HD22 LEU 22 -4.953 12.499 -2.170 177 HD23 LEU 22 HD23 LEU 22 -4.349 13.946 -1.361 178 H THR 23 HN THR 23 -8.464 11.674 -4.080 179 HA THR 23 HA THR 23 -10.844 10.179 -3.225 180 HB THR 23 HB THR 23 -11.660 10.112 -5.603 181 HG1 THR 23 HG1 THR 23 -9.981 12.308 -6.172 182 HG21 THR 23 HG21 THR 23 -12.723 11.729 -4.071 183 HG22 THR 23 HG22 THR 23 -12.660 12.362 -5.719 184 HG23 THR 23 HG23 THR 23 -11.513 12.939 -4.506 185 H ARG 24 HN ARG 24 -10.991 8.173 -4.696 186 HA ARG 24 HA ARG 24 -8.447 6.815 -4.673 187 HB2 ARG 24 HB2 ARG 24 -11.199 5.845 -5.545 188 HB3 ARG 24 HB1 ARG 24 -9.777 4.821 -5.341 189 HG2 ARG 24 HG2 ARG 24 -9.718 5.367 -2.932 190 HG3 ARG 24 HG1 ARG 24 -11.122 6.417 -3.128 191 HD2 ARG 24 HD2 ARG 24 -12.441 4.406 -3.868 192 HD3 ARG 24 HD1 ARG 24 -11.032 3.401 -3.492 193 HE ARG 24 HE ARG 24 -12.130 5.112 -1.365 194 HH11 ARG 24 HH11 ARG 24 -11.685 1.863 -2.607 195 HH12 ARG 24 HH12 ARG 24 -12.257 1.106 -1.158 196 HH21 ARG 24 HH21 ARG 24 -12.897 4.097 0.516 197 HH22 ARG 24 HH22 ARG 24 -12.972 2.369 0.593 198 H GLU 25 HN GLU 25 -9.566 8.968 -6.864 199 HA GLU 25 HA GLU 25 -8.083 7.685 -9.082 200 HB2 GLU 25 HB2 GLU 25 -9.582 8.896 -10.649 201 HB3 GLU 25 HB1 GLU 25 -10.464 7.770 -9.622 202 HG2 GLU 25 HG2 GLU 25 -11.055 9.753 -8.140 203 HG3 GLU 25 HG1 GLU 25 -10.384 10.797 -9.391 204 H THR 26 HN THR 26 -8.163 10.318 -6.876 205 HA THR 26 HA THR 26 -6.886 12.389 -8.266 206 HB THR 26 HB THR 26 -6.470 11.512 -5.364 207 HG1 THR 26 HG1 THR 26 -8.149 13.518 -6.487 208 HG21 THR 26 HG21 THR 26 -5.721 13.829 -4.916 209 HG22 THR 26 HG22 THR 26 -5.814 14.205 -6.636 210 HG23 THR 26 HG23 THR 26 -4.631 13.031 -6.057 211 H SER 27 HN SER 27 -4.871 12.538 -9.177 212 HA SER 27 HA SER 27 -2.672 10.736 -8.341 213 HB2 SER 27 HB2 SER 27 -2.133 10.355 -10.768 214 HB3 SER 27 HB1 SER 27 -3.718 9.712 -10.333 215 HG SER 27 HG SER 27 -4.685 11.244 -11.478 216 H ALA 28 HN ALA 28 -0.601 11.521 -9.719 217 HA ALA 28 HA ALA 28 0.165 14.141 -9.271 218 HB1 ALA 28 HB1 ALA 28 1.974 13.781 -10.877 219 HB2 ALA 28 HB2 ALA 28 1.129 12.378 -11.539 220 HB3 ALA 28 HB3 ALA 28 1.733 12.344 -9.882 221 H ASN 29 HN ASN 29 -1.944 13.023 -11.830 222 HA ASN 29 HA ASN 29 -1.848 15.274 -13.529 223 HB2 ASN 29 HB2 ASN 29 -2.933 13.206 -14.243 224 HB3 ASN 29 HB1 ASN 29 -4.078 13.287 -12.910 225 HD21 ASN 29 HD21 ASN 29 -5.848 14.694 -13.058 226 HD22 ASN 29 HD22 ASN 29 -6.302 15.457 -14.541 227 H ASP 30 HN ASP 30 -3.708 14.565 -10.566 228 HA ASP 30 HA ASP 30 -5.262 17.017 -10.663 229 HB2 ASP 30 HB2 ASP 30 -5.034 14.865 -8.501 230 HB3 ASP 30 HB1 ASP 30 -6.212 16.181 -8.510 231 H ILE 31 HN ILE 31 -2.358 15.790 -9.162 232 HA ILE 31 HA ILE 31 -1.913 18.351 -7.741 233 HB ILE 31 HB ILE 31 -0.688 15.639 -6.993 234 HG12 ILE 31 HG12 ILE 31 -2.966 17.155 -5.616 235 HG13 ILE 31 HG11 ILE 31 -3.114 15.622 -6.468 236 HG21 ILE 31 HG21 ILE 31 0.131 16.811 -4.962 237 HG22 ILE 31 HG22 ILE 31 -0.563 18.325 -5.547 238 HG23 ILE 31 HG23 ILE 31 0.761 17.562 -6.432 239 HD11 ILE 31 HD11 ILE 31 -1.572 16.092 -3.916 240 HD12 ILE 31 HD12 ILE 31 -1.718 14.550 -4.764 241 HD13 ILE 31 HD13 ILE 31 -3.146 15.313 -4.067 242 H ASP 32 HN ASP 32 -1.038 19.256 -9.589 243 HA ASP 32 HA ASP 32 0.920 18.198 -11.314 244 HB2 ASP 32 HB2 ASP 32 0.379 21.113 -10.601 245 HB3 ASP 32 HB1 ASP 32 1.429 20.604 -11.921 246 H ALA 33 HN ALA 33 1.229 19.683 -8.198 247 HA ALA 33 HA ALA 33 4.013 20.220 -8.140 248 HB1 ALA 33 HB1 ALA 33 3.691 20.473 -5.716 249 HB2 ALA 33 HB2 ALA 33 2.107 19.699 -5.832 250 HB3 ALA 33 HB3 ALA 33 2.384 21.262 -6.604 251 H TRP 34 HN TRP 34 2.399 17.211 -8.149 252 HA TRP 34 HA TRP 34 4.085 15.792 -6.309 253 HB2 TRP 34 HB2 TRP 34 1.662 15.174 -7.059 254 HB3 TRP 34 HB1 TRP 34 2.412 14.459 -8.479 255 HD1 TRP 34 HD1 TRP 34 4.803 12.868 -7.235 256 HE1 TRP 34 HE1 TRP 34 4.418 10.911 -5.633 257 HE3 TRP 34 HE3 TRP 34 0.037 13.940 -5.757 258 HZ2 TRP 34 HZ2 TRP 34 2.385 9.901 -3.996 259 HZ3 TRP 34 HZ3 TRP 34 -1.069 12.410 -4.183 260 HH2 TRP 34 HH2 TRP 34 0.079 10.426 -3.318 261 H ASP 35 HN ASP 35 6.093 15.295 -6.691 262 HA ASP 35 HA ASP 35 7.120 14.460 -9.336 263 HB2 ASP 35 HB2 ASP 35 8.655 15.803 -7.046 264 HB3 ASP 35 HB1 ASP 35 9.350 15.282 -8.576 265 H SER 36 HN SER 36 9.259 13.012 -8.792 266 HA SER 36 HA SER 36 8.437 10.852 -7.083 267 HB2 SER 36 HB2 SER 36 11.039 11.325 -8.586 268 HB3 SER 36 HB1 SER 36 10.676 9.855 -7.670 269 H LEU 37 HN LEU 37 10.323 13.697 -6.606 270 HA LEU 37 HA LEU 37 11.444 12.914 -4.068 271 HB2 LEU 37 HB2 LEU 37 11.057 15.612 -5.400 272 HB3 LEU 37 HB1 LEU 37 11.656 15.486 -3.758 273 HG LEU 37 HG LEU 37 13.522 15.813 -5.281 274 HD11 LEU 37 HD11 LEU 37 13.545 12.972 -4.234 275 HD12 LEU 37 HD12 LEU 37 13.948 14.426 -3.321 276 HD13 LEU 37 HD13 LEU 37 14.957 13.936 -4.677 277 HD21 LEU 37 HD21 LEU 37 12.669 13.287 -6.726 278 HD22 LEU 37 HD22 LEU 37 14.137 14.220 -7.037 279 HD23 LEU 37 HD23 LEU 37 12.559 14.937 -7.348 280 H SER 38 HN SER 38 8.444 14.539 -5.118 281 HA SER 38 HA SER 38 7.338 14.983 -2.541 282 HB2 SER 38 HB2 SER 38 5.812 14.453 -5.121 283 HB3 SER 38 HB1 SER 38 5.194 15.258 -3.676 284 HG SER 38 HG SER 38 7.139 16.726 -4.161 285 H HIS 39 HN HIS 39 7.221 12.206 -4.776 286 HA HIS 39 HA HIS 39 5.636 10.394 -3.417 287 HB2 HIS 39 HB2 HIS 39 8.063 10.072 -5.166 288 HB3 HIS 39 HB1 HIS 39 7.587 8.667 -4.235 289 HD2 HIS 39 HD2 HIS 39 7.262 9.397 -7.645 290 HE1 HIS 39 HE1 HIS 39 3.363 8.155 -6.638 291 HE2 HIS 39 HE2 HIS 39 5.096 8.258 -8.461 292 H MET 40 HN MET 40 9.097 11.063 -2.893 293 HA MET 40 HA MET 40 9.459 9.086 -0.888 294 HB2 MET 40 HB2 MET 40 11.169 11.528 -1.507 295 HB3 MET 40 HB1 MET 40 11.647 10.206 -0.443 296 HG2 MET 40 HG2 MET 40 11.226 10.123 -3.435 297 HG3 MET 40 HG1 MET 40 12.713 9.825 -2.533 298 HE1 MET 40 HE1 MET 40 11.503 7.882 -0.125 299 HE2 MET 40 HE2 MET 40 13.041 7.616 -0.946 300 HE3 MET 40 HE3 MET 40 11.853 6.313 -0.852 301 H ASN 41 HN ASN 41 8.901 12.600 -0.734 302 HA ASN 41 HA ASN 41 9.095 12.971 2.055 303 HB2 ASN 41 HB2 ASN 41 7.385 14.515 0.049 304 HB3 ASN 41 HB1 ASN 41 7.754 15.061 1.683 305 HD21 ASN 41 HD21 ASN 41 8.325 16.352 -0.836 306 HD22 ASN 41 HD22 ASN 41 10.037 16.574 -0.901 307 H LEU 42 HN LEU 42 6.284 12.336 -0.003 308 HA LEU 42 HA LEU 42 4.280 12.385 1.976 309 HB2 LEU 42 HB2 LEU 42 4.026 12.696 -0.522 310 HB3 LEU 42 HB1 LEU 42 4.259 10.976 -0.729 311 HG LEU 42 HG LEU 42 1.859 11.876 -0.876 312 HD11 LEU 42 HD11 LEU 42 0.837 9.950 0.225 313 HD12 LEU 42 HD12 LEU 42 2.341 9.622 1.085 314 HD13 LEU 42 HD13 LEU 42 2.282 9.489 -0.673 315 HD21 LEU 42 HD21 LEU 42 2.124 12.058 2.140 316 HD22 LEU 42 HD22 LEU 42 0.643 12.256 1.203 317 HD23 LEU 42 HD23 LEU 42 1.952 13.418 1.025 318 H ILE 43 HN ILE 43 6.145 9.729 0.566 319 HA ILE 43 HA ILE 43 4.648 7.629 1.776 320 HB ILE 43 HB ILE 43 7.015 7.815 -0.026 321 HG12 ILE 43 HG12 ILE 43 5.842 5.979 -1.227 322 HG13 ILE 43 HG11 ILE 43 4.685 5.840 0.092 323 HG21 ILE 43 HG21 ILE 43 8.104 6.476 1.682 324 HG22 ILE 43 HG22 ILE 43 7.758 5.477 0.269 325 HG23 ILE 43 HG23 ILE 43 6.746 5.348 1.711 326 HD11 ILE 43 HD11 ILE 43 5.035 8.211 -1.741 327 HD12 ILE 43 HD12 ILE 43 3.873 8.101 -0.415 328 HD13 ILE 43 HD13 ILE 43 3.742 7.013 -1.794 329 H VAL 44 HN VAL 44 7.812 9.146 2.610 330 HA VAL 44 HA VAL 44 8.308 7.436 4.821 331 HB VAL 44 HB VAL 44 10.003 9.032 5.565 332 HG11 VAL 44 HG11 VAL 44 11.471 8.988 3.576 333 HG12 VAL 44 HG12 VAL 44 10.079 8.603 2.564 334 HG13 VAL 44 HG13 VAL 44 10.615 7.455 3.793 335 HG21 VAL 44 HG21 VAL 44 10.450 11.155 4.373 336 HG22 VAL 44 HG22 VAL 44 8.860 11.172 5.135 337 HG23 VAL 44 HG23 VAL 44 8.999 10.911 3.395 338 H SER 45 HN SER 45 6.457 10.398 4.455 339 HA SER 45 HA SER 45 5.875 10.929 7.168 340 HB2 SER 45 HB2 SER 45 4.161 11.438 4.703 341 HB3 SER 45 HB1 SER 45 3.882 12.147 6.298 342 HG SER 45 HG SER 45 6.388 12.424 5.048 343 H LEU 46 HN LEU 46 4.315 8.778 4.794 344 HA LEU 46 HA LEU 46 2.206 7.879 6.481 345 HB2 LEU 46 HB2 LEU 46 3.516 6.461 4.127 346 HB3 LEU 46 HB1 LEU 46 1.980 6.012 4.861 347 HG LEU 46 HG LEU 46 2.535 8.620 3.387 348 HD11 LEU 46 HD11 LEU 46 2.462 6.714 1.857 349 HD12 LEU 46 HD12 LEU 46 1.058 7.757 1.639 350 HD13 LEU 46 HD13 LEU 46 0.895 6.231 2.511 351 HD21 LEU 46 HD21 LEU 46 0.120 9.037 3.572 352 HD22 LEU 46 HD22 LEU 46 0.890 8.960 5.153 353 HD23 LEU 46 HD23 LEU 46 -0.059 7.589 4.570 354 H GLU 47 HN GLU 47 5.514 6.790 5.931 355 HA GLU 47 HA GLU 47 5.325 4.304 7.293 356 HB2 GLU 47 HB2 GLU 47 7.764 5.989 6.584 357 HB3 GLU 47 HB1 GLU 47 7.843 4.338 7.208 358 HG2 GLU 47 HG2 GLU 47 6.595 3.546 5.221 359 HG3 GLU 47 HG1 GLU 47 6.556 5.188 4.589 360 H VAL 48 HN VAL 48 6.545 7.526 8.328 361 HA VAL 48 HA VAL 48 7.253 6.618 10.950 362 HB VAL 48 HB VAL 48 7.698 8.963 11.510 363 HG11 VAL 48 HG11 VAL 48 9.502 9.384 9.863 364 HG12 VAL 48 HG12 VAL 48 8.783 8.191 8.776 365 HG13 VAL 48 HG13 VAL 48 9.433 7.684 10.336 366 HG21 VAL 48 HG21 VAL 48 5.877 10.112 10.330 367 HG22 VAL 48 HG22 VAL 48 6.583 9.685 8.772 368 HG23 VAL 48 HG23 VAL 48 7.432 10.798 9.851 369 H HIS 49 HN HIS 49 4.409 8.378 9.676 370 HA HIS 49 HA HIS 49 3.166 8.821 12.208 371 HB2 HIS 49 HB2 HIS 49 2.137 8.947 9.355 372 HB3 HIS 49 HB1 HIS 49 1.030 9.129 10.707 373 HD1 HIS 49 HD1 HIS 49 0.684 11.466 11.451 374 HD2 HIS 49 HD2 HIS 49 4.312 11.024 9.488 375 HE1 HIS 49 HE1 HIS 49 1.639 13.782 11.282 376 HE2 HIS 49 HE2 HIS 49 3.743 13.497 9.931 377 H TYR 50 HN TYR 50 2.499 6.379 9.667 378 HA TYR 50 HA TYR 50 0.470 5.071 11.332 379 HB2 TYR 50 HB2 TYR 50 1.350 4.500 8.477 380 HB3 TYR 50 HB1 TYR 50 0.016 3.702 9.299 381 HD1 TYR 50 HD2 TYR 50 1.165 6.932 7.875 382 HD2 TYR 50 HD1 TYR 50 -2.162 4.784 9.474 383 HE1 TYR 50 HE2 TYR 50 -0.351 8.679 7.073 384 HE2 TYR 50 HE1 TYR 50 -3.678 6.543 8.668 385 HH TYR 50 HH TYR 50 -2.700 8.927 6.467 386 H LYS 51 HN LYS 51 3.776 4.767 10.911 387 HA LYS 51 HA LYS 51 5.352 3.296 11.559 388 HB2 LYS 51 HB2 LYS 51 2.991 2.184 13.073 389 HB3 LYS 51 HB1 LYS 51 4.450 1.212 13.006 390 HG2 LYS 51 HG2 LYS 51 4.265 2.599 15.069 391 HG3 LYS 51 HG1 LYS 51 5.736 2.903 14.141 392 HD2 LYS 51 HD2 LYS 51 4.744 4.964 13.214 393 HD3 LYS 51 HD1 LYS 51 3.241 4.648 14.090 394 HE2 LYS 51 HE2 LYS 51 4.358 4.970 16.222 395 HE3 LYS 51 HE1 LYS 51 5.936 5.073 15.435 396 HZ1 LYS 51 HZ1 LYS 51 3.719 6.991 14.985 397 HZ2 LYS 51 HZ2 LYS 51 5.306 7.122 14.417 398 HZ3 LYS 51 HZ3 LYS 51 4.987 7.240 16.072 399 H ILE 52 HN ILE 52 3.906 3.029 9.015 400 HA ILE 52 HA ILE 52 3.993 0.139 8.418 401 HB ILE 52 HB ILE 52 2.722 0.678 6.373 402 HG12 ILE 52 HG12 ILE 52 2.832 3.590 7.308 403 HG13 ILE 52 HG11 ILE 52 3.594 2.939 5.860 404 HG21 ILE 52 HG21 ILE 52 1.454 1.909 8.850 405 HG22 ILE 52 HG22 ILE 52 1.457 0.196 8.423 406 HG23 ILE 52 HG23 ILE 52 0.581 1.349 7.418 407 HD11 ILE 52 HD11 ILE 52 0.629 3.193 6.379 408 HD12 ILE 52 HD12 ILE 52 1.345 2.461 4.939 409 HD13 ILE 52 HD13 ILE 52 1.607 4.170 5.286 410 H LYS 53 HN LYS 53 4.646 0.104 5.742 411 HA LYS 53 HA LYS 53 7.149 1.604 5.393 412 HB2 LYS 53 HB2 LYS 53 7.787 -0.390 6.724 413 HB3 LYS 53 HB1 LYS 53 7.055 -1.437 5.511 414 HG2 LYS 53 HG2 LYS 53 8.728 -0.418 3.843 415 HG3 LYS 53 HG1 LYS 53 9.547 0.275 5.249 416 HD2 LYS 53 HD2 LYS 53 9.911 -1.986 6.159 417 HD3 LYS 53 HD1 LYS 53 9.022 -2.688 4.803 418 HE2 LYS 53 HE2 LYS 53 10.770 -1.651 3.269 419 HE3 LYS 53 HE1 LYS 53 11.700 -1.262 4.719 420 HZ1 LYS 53 HZ1 LYS 53 12.430 -3.315 3.743 421 HZ2 LYS 53 HZ2 LYS 53 10.876 -3.969 3.839 422 HZ3 LYS 53 HZ3 LYS 53 11.736 -3.617 5.250 423 H PHE 54 HN PHE 54 7.207 2.264 3.309 424 HA PHE 54 HA PHE 54 6.225 0.458 1.163 425 HB2 PHE 54 HB2 PHE 54 6.814 3.455 1.011 426 HB3 PHE 54 HB1 PHE 54 6.296 2.452 -0.336 427 HD1 PHE 54 HD1 PHE 54 5.205 3.708 3.016 428 HD2 PHE 54 HD2 PHE 54 3.964 2.137 -0.777 429 HE1 PHE 54 HE1 PHE 54 2.865 4.210 3.556 430 HE2 PHE 54 HE2 PHE 54 1.634 2.651 -0.211 431 HZ PHE 54 HZ PHE 54 1.081 3.681 1.948 432 H ALA 55 HN ALA 55 7.646 -0.364 -0.213 433 HA ALA 55 HA ALA 55 10.498 0.395 -0.193 434 HB1 ALA 55 HB1 ALA 55 9.071 -1.985 -1.465 435 HB2 ALA 55 HB2 ALA 55 9.999 -2.018 0.035 436 HB3 ALA 55 HB3 ALA 55 10.813 -1.697 -1.495 437 H LEU 56 HN LEU 56 11.491 0.629 -2.436 438 HA LEU 56 HA LEU 56 10.134 2.491 -4.067 439 HB2 LEU 56 HB2 LEU 56 12.633 2.186 -3.876 440 HB3 LEU 56 HB1 LEU 56 12.516 0.712 -4.809 441 HG LEU 56 HG LEU 56 13.384 2.830 -6.001 442 HD11 LEU 56 HD11 LEU 56 12.782 0.842 -7.267 443 HD12 LEU 56 HD12 LEU 56 12.360 2.307 -8.149 444 HD13 LEU 56 HD13 LEU 56 11.100 1.372 -7.341 445 HD21 LEU 56 HD21 LEU 56 11.754 4.411 -6.899 446 HD22 LEU 56 HD22 LEU 56 11.733 4.428 -5.137 447 HD23 LEU 56 HD23 LEU 56 10.450 3.602 -6.026 448 H GLY 57 HN GLY 57 10.245 -1.042 -4.162 449 HA2 GLY 57 HA2 GLY 57 8.977 -1.560 -6.622 450 HA3 GLY 57 HA1 GLY 57 8.888 -2.576 -5.194 451 H GLU 58 HN GLU 58 7.590 -0.831 -3.423 452 HA GLU 58 HA GLU 58 4.844 -1.009 -4.156 453 HB2 GLU 58 HB2 GLU 58 6.125 0.629 -1.923 454 HB3 GLU 58 HB1 GLU 58 4.407 0.254 -2.057 455 HG2 GLU 58 HG2 GLU 58 6.594 -1.835 -1.740 456 HG3 GLU 58 HG1 GLU 58 5.694 -1.135 -0.396 457 H LEU 59 HN LEU 59 7.207 1.637 -4.134 458 HA LEU 59 HA LEU 59 5.559 3.804 -4.817 459 HB2 LEU 59 HB2 LEU 59 8.504 3.215 -5.040 460 HB3 LEU 59 HB1 LEU 59 7.897 4.625 -5.872 461 HG LEU 59 HG LEU 59 8.904 5.120 -3.633 462 HD11 LEU 59 HD11 LEU 59 7.174 6.657 -2.886 463 HD12 LEU 59 HD12 LEU 59 5.976 5.817 -3.872 464 HD13 LEU 59 HD13 LEU 59 7.321 6.659 -4.643 465 HD21 LEU 59 HD21 LEU 59 8.157 3.123 -2.400 466 HD22 LEU 59 HD22 LEU 59 6.486 3.693 -2.469 467 HD23 LEU 59 HD23 LEU 59 7.703 4.610 -1.573 468 H GLN 60 HN GLN 60 7.261 1.470 -6.894 469 HA GLN 60 HA GLN 60 6.499 2.441 -9.413 470 HB2 GLN 60 HB2 GLN 60 6.936 -0.440 -8.534 471 HB3 GLN 60 HB1 GLN 60 6.840 0.085 -10.210 472 HG2 GLN 60 HG2 GLN 60 8.954 1.018 -8.250 473 HG3 GLN 60 HG1 GLN 60 9.155 -0.337 -9.353 474 HE21 GLN 60 HE21 GLN 60 10.920 0.645 -10.361 475 HE22 GLN 60 HE22 GLN 60 10.758 2.000 -11.416 476 H LYS 61 HN LYS 61 4.717 0.461 -7.086 477 HA LYS 61 HA LYS 61 2.487 -0.123 -8.839 478 HB2 LYS 61 HB2 LYS 61 2.766 -0.419 -5.814 479 HB3 LYS 61 HB1 LYS 61 1.415 -1.036 -6.760 480 HG2 LYS 61 HG2 LYS 61 4.311 -1.921 -7.034 481 HG3 LYS 61 HG1 LYS 61 3.053 -2.803 -6.166 482 HD2 LYS 61 HD2 LYS 61 3.005 -2.185 -9.154 483 HD3 LYS 61 HD1 LYS 61 3.519 -3.721 -8.453 484 HE2 LYS 61 HE2 LYS 61 1.258 -4.085 -7.552 485 HE3 LYS 61 HE1 LYS 61 0.739 -2.516 -8.173 486 HZ1 LYS 61 HZ1 LYS 61 1.700 -4.768 -9.840 487 HZ2 LYS 61 HZ2 LYS 61 1.098 -3.295 -10.399 488 HZ3 LYS 61 HZ3 LYS 61 0.079 -4.372 -9.589 489 H LEU 62 HN LEU 62 3.416 2.645 -7.042 490 HA LEU 62 HA LEU 62 0.708 3.602 -6.471 491 HB2 LEU 62 HB2 LEU 62 3.394 4.975 -6.037 492 HB3 LEU 62 HB1 LEU 62 1.837 5.553 -5.454 493 HG LEU 62 HG LEU 62 3.227 3.005 -4.559 494 HD11 LEU 62 HD11 LEU 62 4.371 4.979 -3.728 495 HD12 LEU 62 HD12 LEU 62 3.565 4.121 -2.417 496 HD13 LEU 62 HD13 LEU 62 2.857 5.605 -3.067 497 HD21 LEU 62 HD21 LEU 62 0.808 2.705 -4.473 498 HD22 LEU 62 HD22 LEU 62 0.628 4.201 -3.552 499 HD23 LEU 62 HD23 LEU 62 1.470 2.819 -2.844 500 H LYS 63 HN LYS 63 -0.199 3.925 -8.457 501 HA LYS 63 HA LYS 63 0.982 5.878 -10.335 502 HB2 LYS 63 HB2 LYS 63 0.298 3.790 -11.352 503 HB3 LYS 63 HB1 LYS 63 -1.259 3.820 -10.558 504 HG2 LYS 63 HG2 LYS 63 -0.628 6.006 -12.522 505 HG3 LYS 63 HG1 LYS 63 -0.970 4.396 -13.149 506 HD2 LYS 63 HD2 LYS 63 -2.852 5.968 -11.327 507 HD3 LYS 63 HD1 LYS 63 -2.969 5.935 -13.085 508 HE2 LYS 63 HE2 LYS 63 -4.594 4.388 -12.236 509 HE3 LYS 63 HE1 LYS 63 -3.295 3.422 -12.924 510 HZ1 LYS 63 HZ1 LYS 63 -4.116 2.582 -10.790 511 HZ2 LYS 63 HZ2 LYS 63 -3.618 4.007 -10.025 512 HZ3 LYS 63 HZ3 LYS 63 -2.477 2.977 -10.725 513 H ASN 64 HN ASN 64 -1.371 5.611 -7.812 514 HA ASN 64 HA ASN 64 -1.823 8.427 -7.932 515 HB2 ASN 64 HB2 ASN 64 -4.195 8.501 -8.373 516 HB3 ASN 64 HB1 ASN 64 -3.457 7.593 -9.678 517 HD21 ASN 64 HD21 ASN 64 -5.911 7.638 -7.418 518 HD22 ASN 64 HD22 ASN 64 -6.447 6.003 -7.588 519 H VAL 65 HN VAL 65 -3.566 9.036 -6.229 520 HA VAL 65 HA VAL 65 -2.755 8.189 -3.666 521 HB VAL 65 HB VAL 65 -5.266 9.757 -4.425 522 HG11 VAL 65 HG11 VAL 65 -5.171 10.707 -2.134 523 HG12 VAL 65 HG12 VAL 65 -3.813 9.648 -1.752 524 HG13 VAL 65 HG13 VAL 65 -5.397 8.957 -2.101 525 HG21 VAL 65 HG21 VAL 65 -3.251 10.832 -5.340 526 HG22 VAL 65 HG22 VAL 65 -2.492 10.810 -3.747 527 HG23 VAL 65 HG23 VAL 65 -3.926 11.800 -4.027 528 H GLY 66 HN GLY 66 -5.234 6.992 -5.770 529 HA2 GLY 66 HA2 GLY 66 -6.822 5.516 -3.915 530 HA3 GLY 66 HA1 GLY 66 -6.695 5.229 -5.647 531 H ASP 67 HN ASP 67 -3.851 4.810 -5.737 532 HA ASP 67 HA ASP 67 -3.548 2.126 -4.854 533 HB2 ASP 67 HB2 ASP 67 -1.443 4.130 -5.781 534 HB3 ASP 67 HB1 ASP 67 -1.112 2.427 -5.456 535 H LEU 68 HN LEU 68 -2.396 5.277 -3.521 536 HA LEU 68 HA LEU 68 -1.105 4.217 -1.243 537 HB2 LEU 68 HB2 LEU 68 -2.386 6.919 -1.741 538 HB3 LEU 68 HB1 LEU 68 -1.788 6.519 -0.147 539 HG LEU 68 HG LEU 68 -0.068 7.785 -1.127 540 HD11 LEU 68 HD11 LEU 68 1.849 6.301 -1.291 541 HD12 LEU 68 HD12 LEU 68 0.782 4.912 -1.499 542 HD13 LEU 68 HD13 LEU 68 0.772 5.811 0.018 543 HD21 LEU 68 HD21 LEU 68 -0.241 6.097 -3.649 544 HD22 LEU 68 HD22 LEU 68 0.902 7.411 -3.361 545 HD23 LEU 68 HD23 LEU 68 -0.822 7.754 -3.465 546 H ALA 69 HN ALA 69 -4.524 4.947 -1.837 547 HA ALA 69 HA ALA 69 -5.520 4.635 0.778 548 HB1 ALA 69 HB1 ALA 69 -7.719 4.281 -0.290 549 HB2 ALA 69 HB2 ALA 69 -6.929 4.047 -1.853 550 HB3 ALA 69 HB3 ALA 69 -6.855 5.618 -1.054 551 H ASP 70 HN ASP 70 -5.078 2.325 -1.879 552 HA ASP 70 HA ASP 70 -6.008 0.003 -0.578 553 HB2 ASP 70 HB2 ASP 70 -5.780 0.068 -3.007 554 HB3 ASP 70 HB1 ASP 70 -4.042 0.327 -2.886 555 H LEU 71 HN LEU 71 -2.651 1.156 -1.078 556 HA LEU 71 HA LEU 71 -1.441 -1.071 0.153 557 HB2 LEU 71 HB2 LEU 71 -0.389 1.590 -0.786 558 HB3 LEU 71 HB1 LEU 71 0.621 0.651 0.285 559 HG LEU 71 HG LEU 71 1.415 0.119 -1.862 560 HD11 LEU 71 HD11 LEU 71 0.959 -2.239 -2.192 561 HD12 LEU 71 HD12 LEU 71 -0.476 -2.137 -1.170 562 HD13 LEU 71 HD13 LEU 71 1.128 -1.865 -0.480 563 HD21 LEU 71 HD21 LEU 71 0.047 -0.555 -3.783 564 HD22 LEU 71 HD22 LEU 71 -0.350 1.065 -3.222 565 HD23 LEU 71 HD23 LEU 71 -1.425 -0.282 -2.838 566 H VAL 72 HN VAL 72 -1.982 2.259 1.409 567 HA VAL 72 HA VAL 72 -0.883 1.920 3.947 568 HB VAL 72 HB VAL 72 -3.204 3.738 3.127 569 HG11 VAL 72 HG11 VAL 72 -1.528 3.862 5.671 570 HG12 VAL 72 HG12 VAL 72 -3.237 3.438 5.576 571 HG13 VAL 72 HG13 VAL 72 -2.715 5.071 5.168 572 HG21 VAL 72 HG21 VAL 72 -1.483 5.535 3.024 573 HG22 VAL 72 HG22 VAL 72 -1.105 4.231 1.900 574 HG23 VAL 72 HG23 VAL 72 -0.229 4.358 3.428 575 H ASP 73 HN ASP 73 -4.196 1.129 2.770 576 HA ASP 73 HA ASP 73 -5.297 0.423 5.307 577 HB2 ASP 73 HB2 ASP 73 -6.629 0.882 3.173 578 HB3 ASP 73 HB1 ASP 73 -6.166 -0.719 2.612 579 H LYS 74 HN LYS 74 -3.622 -1.410 2.857 580 HA LYS 74 HA LYS 74 -3.992 -4.016 3.985 581 HB2 LYS 74 HB2 LYS 74 -1.884 -3.060 2.002 582 HB3 LYS 74 HB1 LYS 74 -2.134 -4.744 2.453 583 HG2 LYS 74 HG2 LYS 74 -4.046 -2.946 0.926 584 HG3 LYS 74 HG1 LYS 74 -3.201 -4.376 0.329 585 HD2 LYS 74 HD2 LYS 74 -5.401 -4.340 2.441 586 HD3 LYS 74 HD1 LYS 74 -5.587 -4.854 0.764 587 HE2 LYS 74 HE2 LYS 74 -4.191 -6.795 1.134 588 HE3 LYS 74 HE1 LYS 74 -3.710 -6.219 2.730 589 HZ1 LYS 74 HZ1 LYS 74 -5.370 -7.924 2.910 590 HZ2 LYS 74 HZ2 LYS 74 -6.438 -7.051 1.931 591 HZ3 LYS 74 HZ3 LYS 74 -6.004 -6.452 3.451 592 H LYS 75 HN LYS 75 -1.498 -1.563 4.315 593 HA LYS 75 HA LYS 75 0.287 -3.173 5.889 594 HB2 LYS 75 HB2 LYS 75 0.209 -0.187 5.314 595 HB3 LYS 75 HB1 LYS 75 1.524 -1.012 6.151 596 HG2 LYS 75 HG2 LYS 75 2.079 -2.289 4.177 597 HG3 LYS 75 HG1 LYS 75 0.655 -1.685 3.323 598 HD2 LYS 75 HD2 LYS 75 1.642 0.642 3.485 599 HD3 LYS 75 HD1 LYS 75 3.102 -0.082 4.170 600 HE2 LYS 75 HE2 LYS 75 1.958 -0.624 1.403 601 HE3 LYS 75 HE1 LYS 75 3.394 0.334 1.775 602 HZ1 LYS 75 HZ1 LYS 75 3.056 -2.571 2.258 603 HZ2 LYS 75 HZ2 LYS 75 4.417 -1.672 2.691 604 HZ3 LYS 75 HZ3 LYS 75 4.009 -1.858 1.061 605 H LEU 76 HN LEU 76 -2.366 -0.934 6.525 606 HA LEU 76 HA LEU 76 -1.927 -0.774 9.377 607 HB2 LEU 76 HB2 LEU 76 -4.321 -0.026 7.661 608 HB3 LEU 76 HB1 LEU 76 -4.320 0.136 9.414 609 HG LEU 76 HG LEU 76 -2.512 1.626 7.466 610 HD11 LEU 76 HD11 LEU 76 -4.755 2.637 9.242 611 HD12 LEU 76 HD12 LEU 76 -4.797 2.478 7.483 612 HD13 LEU 76 HD13 LEU 76 -3.700 3.633 8.233 613 HD21 LEU 76 HD21 LEU 76 -1.634 2.843 9.430 614 HD22 LEU 76 HD22 LEU 76 -1.246 1.128 9.509 615 HD23 LEU 76 HD23 LEU 76 -2.549 1.782 10.507 616 H ALA 77 HN ALA 77 -3.642 -2.918 7.210 617 HA ALA 77 HA ALA 77 -4.952 -4.516 9.166 618 HB1 ALA 77 HB1 ALA 77 -5.023 -6.274 7.435 619 HB2 ALA 77 HB2 ALA 77 -3.873 -5.361 6.451 620 HB3 ALA 77 HB3 ALA 77 -5.479 -4.706 6.771 621 H ARG 78 HN ARG 78 -1.662 -4.511 7.861 622 HA ARG 78 HA ARG 78 -0.698 -6.757 9.385 623 HB2 ARG 78 HB2 ARG 78 0.927 -4.465 8.191 624 HB3 ARG 78 HB1 ARG 78 1.546 -6.037 8.694 625 HG2 ARG 78 HG2 ARG 78 -0.249 -5.430 6.323 626 HG3 ARG 78 HG1 ARG 78 1.423 -5.991 6.291 627 HD2 ARG 78 HD2 ARG 78 -0.981 -7.579 7.275 628 HD3 ARG 78 HD1 ARG 78 -0.125 -7.816 5.747 629 HE ARG 78 HE ARG 78 1.859 -8.171 7.494 630 HH11 ARG 78 HH11 ARG 78 -1.394 -9.497 7.589 631 HH12 ARG 78 HH12 ARG 78 -0.887 -10.962 8.362 632 HH21 ARG 78 HH21 ARG 78 2.500 -10.087 8.489 633 HH22 ARG 78 HH22 ARG 78 1.318 -11.294 8.883 634 H LYS 79 HN LYS 79 -0.925 -3.261 9.920 635 HA LYS 79 HA LYS 79 0.541 -3.281 12.426 636 HB2 LYS 79 HB2 LYS 79 -1.022 -1.085 11.014 637 HB3 LYS 79 HB1 LYS 79 -0.181 -0.848 12.545 638 HG2 LYS 79 HG2 LYS 79 1.141 -1.681 9.952 639 HG3 LYS 79 HG1 LYS 79 1.073 -0.031 10.558 640 HD2 LYS 79 HD2 LYS 79 2.960 -0.379 11.767 641 HD3 LYS 79 HD1 LYS 79 2.181 -1.672 12.666 642 HE2 LYS 79 HE2 LYS 79 3.529 -2.086 9.979 643 HE3 LYS 79 HE1 LYS 79 4.350 -2.304 11.525 644 HZ1 LYS 79 HZ1 LYS 79 1.932 -3.795 10.661 645 HZ2 LYS 79 HZ2 LYS 79 2.813 -4.049 12.083 646 HZ3 LYS 79 HZ3 LYS 79 3.514 -4.380 10.578 647 H LEU 80 HN LEU 80 -2.645 -4.041 11.532 648 HA LEU 80 HA LEU 80 -4.136 -3.179 13.773 649 HB2 LEU 80 HB2 LEU 80 -4.889 -4.340 11.489 650 HB3 LEU 80 HB1 LEU 80 -4.700 -5.831 12.385 651 HG LEU 80 HG LEU 80 -7.058 -5.081 12.297 652 HD11 LEU 80 HD11 LEU 80 -6.389 -6.417 14.231 653 HD12 LEU 80 HD12 LEU 80 -7.656 -5.269 14.648 654 HD13 LEU 80 HD13 LEU 80 -5.987 -4.948 15.124 655 HD21 LEU 80 HD21 LEU 80 -7.827 -3.061 13.458 656 HD22 LEU 80 HD22 LEU 80 -6.694 -2.654 12.171 657 HD23 LEU 80 HD23 LEU 80 -6.159 -2.632 13.853 658 H GLU 81 HN GLU 81 -4.071 -3.880 15.845 659 HA GLU 81 HA GLU 81 -1.710 -4.940 16.789 660 HB2 GLU 81 HB2 GLU 81 -3.711 -3.520 17.923 661 HB3 GLU 81 HB1 GLU 81 -4.149 -5.091 18.570 662 HG2 GLU 81 HG2 GLU 81 -1.485 -3.680 18.968 663 HG3 GLU 81 HG1 GLU 81 -2.800 -3.760 20.141 664 H HIS 82 HN HIS 82 -1.039 -6.872 17.612 665 HA HIS 82 HA HIS 82 -1.699 -9.144 16.148 666 HB2 HIS 82 HB2 HIS 82 -0.134 -8.974 18.757 667 HB3 HIS 82 HB1 HIS 82 -0.106 -10.342 17.642 668 HD1 HIS 82 HD1 HIS 82 1.458 -7.087 18.292 669 HD2 HIS 82 HD2 HIS 82 1.117 -9.709 15.083 670 HE1 HIS 82 HE1 HIS 82 3.238 -6.401 16.666 671 HE2 HIS 82 HE2 HIS 82 2.910 -7.894 14.670 672 H HIS 83 HN HIS 83 -2.706 -8.249 19.431 673 HA HIS 83 HA HIS 83 -4.103 -10.729 19.944 674 HB2 HIS 83 HB2 HIS 83 -4.366 -8.019 21.331 675 HB3 HIS 83 HB1 HIS 83 -5.027 -9.544 21.923 676 HD1 HIS 83 HD1 HIS 83 -2.236 -7.411 22.407 677 HD2 HIS 83 HD2 HIS 83 -2.736 -11.524 22.278 678 HE1 HIS 83 HE1 HIS 83 -0.223 -8.356 23.556 679 HE2 HIS 83 HE2 HIS 83 -0.646 -10.838 23.642 680 H HIS 84 HN HIS 84 -5.963 -11.265 18.950 681 HA HIS 84 HA HIS 84 -7.489 -9.423 17.374 682 HB2 HIS 84 HB2 HIS 84 -7.252 -11.828 16.744 683 HB3 HIS 84 HB1 HIS 84 -8.199 -12.287 18.156 684 HD1 HIS 84 HD1 HIS 84 -10.685 -12.466 17.777 685 HD2 HIS 84 HD2 HIS 84 -8.838 -10.135 14.868 686 HE1 HIS 84 HE1 HIS 84 -12.499 -11.859 16.150 687 HE2 HIS 84 HE2 HIS 84 -11.364 -10.456 14.393 688 H HIS 85 HN HIS 85 -7.590 -10.361 20.670 689 HA HIS 85 HA HIS 85 -10.326 -9.826 21.284 690 HB2 HIS 85 HB2 HIS 85 -8.842 -11.239 22.696 691 HB3 HIS 85 HB1 HIS 85 -7.869 -9.830 23.094 692 HD1 HIS 85 HD1 HIS 85 -8.603 -8.486 25.086 693 HD2 HIS 85 HD2 HIS 85 -11.532 -11.134 23.796 694 HE1 HIS 85 HE1 HIS 85 -10.418 -8.382 26.819 695 HE2 HIS 85 HE2 HIS 85 -12.244 -9.854 25.924 696 H HIS 86 HN HIS 86 -10.554 -7.849 20.075 697 HA HIS 86 HA HIS 86 -10.406 -5.455 21.694 698 HB2 HIS 86 HB2 HIS 86 -8.988 -5.549 18.988 699 HB3 HIS 86 HB1 HIS 86 -9.457 -4.052 19.780 700 HD1 HIS 86 HD1 HIS 86 -6.731 -6.411 19.527 701 HD2 HIS 86 HD2 HIS 86 -8.027 -3.635 22.323 702 HE1 HIS 86 HE1 HIS 86 -4.766 -6.017 21.036 703 HE2 HIS 86 HE2 HIS 86 -5.516 -4.186 22.586 704 H HIS 87 HN HIS 87 -11.660 -3.653 20.550 705 HA HIS 87 HA HIS 87 -14.058 -4.749 19.308 706 HB2 HIS 87 HB2 HIS 87 -13.358 -1.896 20.141 707 HB3 HIS 87 HB1 HIS 87 -14.916 -2.382 19.479 708 HD1 HIS 87 HD1 HIS 87 -16.564 -3.481 21.055 709 HD2 HIS 87 HD2 HIS 87 -12.833 -2.883 22.787 710 HE1 HIS 87 HE1 HIS 87 -16.882 -3.936 23.500 711 HE2 HIS 87 HE2 HIS 87 -14.573 -3.772 24.487 712 H282 PNS 88 H282 PNS 88 7.312 11.853 -10.048 713 H281 PNS 88 H281 PNS 88 7.483 12.500 -11.687 714 H303 PNS 88 H303 PNS 88 5.060 13.190 -11.814 715 H302 PNS 88 H302 PNS 88 3.785 12.037 -11.405 716 H301 PNS 88 H301 PNS 88 4.852 12.649 -10.140 717 H313 PNS 88 H313 PNS 88 4.346 9.750 -10.614 718 H312 PNS 88 H312 PNS 88 6.004 9.141 -10.680 719 H311 PNS 88 H311 PNS 88 5.544 10.320 -9.447 720 H32 PNS 88 H32 PNS 88 6.164 11.462 -13.593 721 H33 PNS 88 H33 PNS 88 7.380 9.708 -13.335 722 H36 PNS 88 H36 PNS 88 4.041 8.904 -12.204 723 H372 PNS 88 H372 PNS 88 1.667 9.917 -13.553 724 H371 PNS 88 H371 PNS 88 2.296 8.382 -14.166 725 H382 PNS 88 H382 PNS 88 0.566 7.900 -12.555 726 H381 PNS 88 H381 PNS 88 2.118 7.438 -11.855 727 H41 PNS 88 H41 PNS 88 2.784 8.417 -9.928 728 H422 PNS 88 H422 PNS 88 2.790 9.792 -8.073 729 H421 PNS 88 H421 PNS 88 1.770 10.927 -8.945 730 H431 PNS 88 H431 PNS 88 -0.171 9.366 -8.436 731 H432 PNS 88 H432 PNS 88 0.515 10.217 -7.050 732 H44 PNS 88 H44 PNS 88 2.071 7.345 -7.451 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -10.514 1.311 4.797 2 H2 MET 1 HT2 MET 1 -10.713 0.026 5.877 3 H3 MET 1 HT3 MET 1 -9.525 1.192 6.160 4 HA MET 1 HA MET 1 -12.426 1.688 6.096 5 HB2 MET 1 HB2 MET 1 -10.573 1.389 8.493 6 HB3 MET 1 HB1 MET 1 -12.219 2.005 8.599 7 HG2 MET 1 HG2 MET 1 -13.118 -0.118 7.883 8 HG3 MET 1 HG1 MET 1 -11.498 -0.745 7.557 9 HE1 MET 1 HE1 MET 1 -12.684 -2.785 10.732 10 HE2 MET 1 HE2 MET 1 -12.150 -2.905 9.056 11 HE3 MET 1 HE3 MET 1 -13.728 -2.211 9.431 12 HA PRO 2 HA PRO 2 -10.431 5.944 6.949 13 HB2 PRO 2 HB2 PRO 2 -8.098 6.302 8.175 14 HB3 PRO 2 HB1 PRO 2 -9.407 5.493 9.049 15 HG2 PRO 2 HG2 PRO 2 -6.946 4.317 7.803 16 HG3 PRO 2 HG1 PRO 2 -7.804 3.832 9.281 17 HD2 PRO 2 HD2 PRO 2 -8.106 2.711 6.641 18 HD3 PRO 2 HD1 PRO 2 -9.033 2.299 8.096 19 H THR 3 HN THR 3 -9.935 4.616 4.473 20 HA THR 3 HA THR 3 -7.323 4.556 3.542 21 HB THR 3 HB THR 3 -8.564 4.518 1.192 22 HG1 THR 3 HG1 THR 3 -10.817 3.706 1.736 23 HG21 THR 3 HG21 THR 3 -9.075 2.347 3.265 24 HG22 THR 3 HG22 THR 3 -7.584 2.527 2.328 25 HG23 THR 3 HG23 THR 3 -9.107 2.146 1.510 26 H LEU 4 HN LEU 4 -9.662 6.858 2.014 27 HA LEU 4 HA LEU 4 -7.501 8.657 1.296 28 HB2 LEU 4 HB2 LEU 4 -10.512 9.045 1.095 29 HB3 LEU 4 HB1 LEU 4 -9.312 10.132 0.409 30 HG LEU 4 HG LEU 4 -9.814 7.253 -0.447 31 HD11 LEU 4 HD11 LEU 4 -11.591 8.755 -1.158 32 HD12 LEU 4 HD12 LEU 4 -10.631 8.244 -2.542 33 HD13 LEU 4 HD13 LEU 4 -10.414 9.861 -1.871 34 HD21 LEU 4 HD21 LEU 4 -7.437 7.771 -0.680 35 HD22 LEU 4 HD22 LEU 4 -7.813 9.257 -1.557 36 HD23 LEU 4 HD23 LEU 4 -8.195 7.686 -2.269 37 H ASP 5 HN ASP 5 -9.969 8.452 3.752 38 HA ASP 5 HA ASP 5 -10.292 11.019 4.697 39 HB2 ASP 5 HB2 ASP 5 -10.219 8.637 6.589 40 HB3 ASP 5 HB1 ASP 5 -11.214 10.086 6.712 41 H ALA 6 HN ALA 6 -8.002 8.624 5.937 42 HA ALA 6 HA ALA 6 -6.847 10.370 7.934 43 HB1 ALA 6 HB1 ALA 6 -5.960 7.613 6.998 44 HB2 ALA 6 HB2 ALA 6 -7.048 7.944 8.346 45 HB3 ALA 6 HB3 ALA 6 -5.362 8.456 8.430 46 H LEU 7 HN LEU 7 -6.199 9.546 4.612 47 HA LEU 7 HA LEU 7 -3.440 10.387 4.598 48 HB2 LEU 7 HB2 LEU 7 -5.342 9.812 2.297 49 HB3 LEU 7 HB1 LEU 7 -3.649 10.234 2.092 50 HG LEU 7 HG LEU 7 -4.804 7.694 3.265 51 HD11 LEU 7 HD11 LEU 7 -3.483 6.592 1.525 52 HD12 LEU 7 HD12 LEU 7 -2.894 8.158 0.957 53 HD13 LEU 7 HD13 LEU 7 -4.611 7.758 0.837 54 HD21 LEU 7 HD21 LEU 7 -2.502 6.950 3.781 55 HD22 LEU 7 HD22 LEU 7 -3.032 8.290 4.791 56 HD23 LEU 7 HD23 LEU 7 -1.916 8.585 3.455 57 H THR 8 HN THR 8 -6.525 12.035 4.144 58 HA THR 8 HA THR 8 -5.684 14.091 2.438 59 HB THR 8 HB THR 8 -7.896 14.379 4.519 60 HG1 THR 8 HG1 THR 8 -8.334 12.567 3.289 61 HG21 THR 8 HG21 THR 8 -7.481 15.758 1.826 62 HG22 THR 8 HG22 THR 8 -7.296 16.526 3.407 63 HG23 THR 8 HG23 THR 8 -8.881 15.959 2.875 64 HA PRO 9 HA PRO 9 -4.372 16.811 6.333 65 HB2 PRO 9 HB2 PRO 9 -3.808 14.738 8.427 66 HB3 PRO 9 HB1 PRO 9 -4.573 16.326 8.595 67 HG2 PRO 9 HG2 PRO 9 -6.037 14.082 8.740 68 HG3 PRO 9 HG1 PRO 9 -6.676 15.530 7.929 69 HD2 PRO 9 HD2 PRO 9 -5.444 13.054 6.690 70 HD3 PRO 9 HD1 PRO 9 -6.917 13.934 6.215 71 H ILE 10 HN ILE 10 -3.063 13.570 5.713 72 HA ILE 10 HA ILE 10 -0.322 14.075 6.330 73 HB ILE 10 HB ILE 10 -1.483 12.047 4.349 74 HG12 ILE 10 HG12 ILE 10 -2.201 11.664 6.713 75 HG13 ILE 10 HG11 ILE 10 -1.199 10.354 6.106 76 HG21 ILE 10 HG21 ILE 10 1.363 12.222 5.431 77 HG22 ILE 10 HG22 ILE 10 0.847 12.474 3.763 78 HG23 ILE 10 HG23 ILE 10 0.715 10.879 4.488 79 HD11 ILE 10 HD11 ILE 10 -0.299 12.562 7.957 80 HD12 ILE 10 HD12 ILE 10 0.712 11.247 7.349 81 HD13 ILE 10 HD13 ILE 10 -0.657 10.893 8.400 82 H PHE 11 HN PHE 11 -2.115 14.068 3.245 83 HA PHE 11 HA PHE 11 0.105 14.725 1.602 84 HB2 PHE 11 HB2 PHE 11 -2.900 14.649 1.105 85 HB3 PHE 11 HB1 PHE 11 -1.776 15.167 -0.145 86 HD1 PHE 11 HD2 PHE 11 -1.755 12.301 2.326 87 HD2 PHE 11 HD1 PHE 11 -1.545 13.494 -1.773 88 HE1 PHE 11 HE2 PHE 11 -1.439 9.962 1.660 89 HE2 PHE 11 HE1 PHE 11 -1.224 11.147 -2.421 90 HZ PHE 11 HZ PHE 11 -1.170 9.381 -0.718 91 H ARG 12 HN ARG 12 -2.607 16.638 2.928 92 HA ARG 12 HA ARG 12 -1.960 19.124 1.785 93 HB2 ARG 12 HB2 ARG 12 -3.410 18.383 4.342 94 HB3 ARG 12 HB1 ARG 12 -3.146 20.072 3.915 95 HG2 ARG 12 HG2 ARG 12 -4.383 19.725 1.792 96 HG3 ARG 12 HG1 ARG 12 -4.669 18.041 2.239 97 HD2 ARG 12 HD2 ARG 12 -6.042 18.710 4.122 98 HD3 ARG 12 HD1 ARG 12 -5.621 20.411 3.890 99 HE ARG 12 HE ARG 12 -6.735 19.903 1.548 100 HH11 ARG 12 HH11 ARG 12 -7.930 18.875 4.693 101 HH12 ARG 12 HH12 ARG 12 -9.590 18.990 4.214 102 HH21 ARG 12 HH21 ARG 12 -8.904 20.020 0.949 103 HH22 ARG 12 HH22 ARG 12 -10.143 19.646 2.104 104 H GLN 13 HN GLN 13 -0.642 17.529 4.678 105 HA GLN 13 HA GLN 13 0.943 19.737 5.558 106 HB2 GLN 13 HB2 GLN 13 0.313 17.938 7.107 107 HB3 GLN 13 HB1 GLN 13 1.183 16.759 6.134 108 HG2 GLN 13 HG2 GLN 13 2.527 17.212 8.042 109 HG3 GLN 13 HG1 GLN 13 3.310 17.989 6.674 110 HE21 GLN 13 HE21 GLN 13 3.699 18.551 9.467 111 HE22 GLN 13 HE22 GLN 13 3.262 20.198 9.737 112 H VAL 14 HN VAL 14 1.762 16.760 3.761 113 HA VAL 14 HA VAL 14 4.487 17.053 3.411 114 HB VAL 14 HB VAL 14 2.438 15.720 1.587 115 HG11 VAL 14 HG11 VAL 14 4.314 14.468 0.544 116 HG12 VAL 14 HG12 VAL 14 5.472 15.444 1.448 117 HG13 VAL 14 HG13 VAL 14 4.442 16.199 0.231 118 HG21 VAL 14 HG21 VAL 14 4.331 14.546 3.661 119 HG22 VAL 14 HG22 VAL 14 3.209 13.628 2.654 120 HG23 VAL 14 HG23 VAL 14 2.591 14.765 3.853 121 H PHE 15 HN PHE 15 1.927 18.078 1.158 122 HA PHE 15 HA PHE 15 3.834 19.303 -0.655 123 HB2 PHE 15 HB2 PHE 15 0.787 19.268 -0.822 124 HB3 PHE 15 HB1 PHE 15 1.898 19.693 -2.123 125 HD1 PHE 15 HD2 PHE 15 3.740 17.779 -2.637 126 HD2 PHE 15 HD1 PHE 15 -0.063 17.079 -0.845 127 HE1 PHE 15 HE2 PHE 15 3.868 15.404 -3.245 128 HE2 PHE 15 HE1 PHE 15 0.077 14.714 -1.459 129 HZ PHE 15 HZ PHE 15 2.051 13.870 -2.658 130 H ASP 16 HN ASP 16 2.146 20.277 2.122 131 HA ASP 16 HA ASP 16 1.844 22.186 3.241 132 HB2 ASP 16 HB2 ASP 16 4.276 22.511 2.792 133 HB3 ASP 16 HB1 ASP 16 3.883 23.373 1.306 134 H ASP 17 HN ASP 17 -0.305 22.078 2.461 135 HA ASP 17 HA ASP 17 -1.258 24.183 0.742 136 HB2 ASP 17 HB2 ASP 17 -0.319 22.281 -0.793 137 HB3 ASP 17 HB1 ASP 17 -1.677 21.309 -0.242 138 H ASP 18 HN ASP 18 -3.718 23.758 0.347 139 HA ASP 18 HA ASP 18 -5.055 22.381 2.590 140 HB2 ASP 18 HB2 ASP 18 -4.638 24.689 3.379 141 HB3 ASP 18 HB1 ASP 18 -5.386 25.343 1.924 142 H SER 19 HN SER 19 -5.066 23.719 -0.604 143 HA SER 19 HA SER 19 -7.848 23.446 -1.249 144 HB2 SER 19 HB2 SER 19 -5.457 23.572 -3.150 145 HB3 SER 19 HB1 SER 19 -7.142 23.922 -3.550 146 HG SER 19 HG SER 19 -5.299 25.573 -2.602 147 H ILE 20 HN ILE 20 -5.184 21.227 -1.091 148 HA ILE 20 HA ILE 20 -5.877 19.264 -2.965 149 HB ILE 20 HB ILE 20 -4.382 19.031 -0.316 150 HG12 ILE 20 HG12 ILE 20 -3.397 19.063 -3.203 151 HG13 ILE 20 HG11 ILE 20 -3.287 20.405 -2.074 152 HG21 ILE 20 HG21 ILE 20 -5.301 16.800 -0.812 153 HG22 ILE 20 HG22 ILE 20 -3.552 16.811 -1.030 154 HG23 ILE 20 HG23 ILE 20 -4.615 16.861 -2.439 155 HD11 ILE 20 HD11 ILE 20 -1.855 17.764 -1.850 156 HD12 ILE 20 HD12 ILE 20 -1.756 19.088 -0.684 157 HD13 ILE 20 HD13 ILE 20 -1.166 19.312 -2.329 158 H VAL 21 HN VAL 21 -7.741 18.253 -3.129 159 HA VAL 21 HA VAL 21 -9.036 17.029 -0.752 160 HB VAL 21 HB VAL 21 -10.406 17.876 -3.358 161 HG11 VAL 21 HG11 VAL 21 -12.526 17.347 -2.182 162 HG12 VAL 21 HG12 VAL 21 -11.606 16.790 -0.781 163 HG13 VAL 21 HG13 VAL 21 -11.485 15.929 -2.316 164 HG21 VAL 21 HG21 VAL 21 -10.565 19.214 -0.625 165 HG22 VAL 21 HG22 VAL 21 -11.505 19.663 -2.051 166 HG23 VAL 21 HG23 VAL 21 -9.753 19.867 -2.050 167 H LEU 22 HN LEU 22 -8.584 14.871 -0.804 168 HA LEU 22 HA LEU 22 -7.362 13.716 -3.153 169 HB2 LEU 22 HB2 LEU 22 -7.950 12.544 -0.407 170 HB3 LEU 22 HB1 LEU 22 -7.029 11.725 -1.665 171 HG LEU 22 HG LEU 22 -6.228 14.300 -0.244 172 HD11 LEU 22 HD11 LEU 22 -5.978 12.303 1.146 173 HD12 LEU 22 HD12 LEU 22 -4.413 12.980 0.707 174 HD13 LEU 22 HD13 LEU 22 -5.005 11.532 -0.108 175 HD21 LEU 22 HD21 LEU 22 -4.722 12.789 -2.413 176 HD22 LEU 22 HD22 LEU 22 -4.111 14.166 -1.493 177 HD23 LEU 22 HD23 LEU 22 -5.478 14.373 -2.584 178 H THR 23 HN THR 23 -8.111 12.194 -4.459 179 HA THR 23 HA THR 23 -10.623 10.756 -3.888 180 HB THR 23 HB THR 23 -11.266 10.759 -6.257 181 HG1 THR 23 HG1 THR 23 -10.053 12.077 -7.775 182 HG21 THR 23 HG21 THR 23 -12.102 12.687 -4.943 183 HG22 THR 23 HG22 THR 23 -11.838 13.129 -6.630 184 HG23 THR 23 HG23 THR 23 -10.672 13.621 -5.402 185 H ARG 24 HN ARG 24 -10.634 8.694 -5.271 186 HA ARG 24 HA ARG 24 -8.311 7.200 -4.656 187 HB2 ARG 24 HB2 ARG 24 -10.696 6.449 -6.393 188 HB3 ARG 24 HB1 ARG 24 -9.506 5.314 -5.754 189 HG2 ARG 24 HG2 ARG 24 -10.197 5.823 -3.459 190 HG3 ARG 24 HG1 ARG 24 -11.315 7.057 -4.040 191 HD2 ARG 24 HD2 ARG 24 -12.547 5.048 -3.453 192 HD3 ARG 24 HD1 ARG 24 -12.621 5.279 -5.199 193 HE ARG 24 HE ARG 24 -10.885 3.552 -5.406 194 HH11 ARG 24 HH11 ARG 24 -12.634 3.621 -2.350 195 HH12 ARG 24 HH12 ARG 24 -12.405 1.929 -2.051 196 HH21 ARG 24 HH21 ARG 24 -10.605 1.338 -5.010 197 HH22 ARG 24 HH22 ARG 24 -11.244 0.630 -3.559 198 H GLU 25 HN GLU 25 -9.116 9.058 -7.461 199 HA GLU 25 HA GLU 25 -6.952 7.774 -9.040 200 HB2 GLU 25 HB2 GLU 25 -9.350 9.333 -10.079 201 HB3 GLU 25 HB1 GLU 25 -8.077 8.623 -11.074 202 HG2 GLU 25 HG2 GLU 25 -8.732 6.366 -10.221 203 HG3 GLU 25 HG1 GLU 25 -10.054 7.114 -9.326 204 H THR 26 HN THR 26 -7.292 10.412 -7.108 205 HA THR 26 HA THR 26 -5.983 12.474 -8.532 206 HB THR 26 HB THR 26 -5.754 11.759 -5.569 207 HG1 THR 26 HG1 THR 26 -7.792 12.701 -7.004 208 HG21 THR 26 HG21 THR 26 -5.189 14.127 -5.198 209 HG22 THR 26 HG22 THR 26 -5.183 14.409 -6.939 210 HG23 THR 26 HG23 THR 26 -3.975 13.344 -6.213 211 H SER 27 HN SER 27 -3.765 12.808 -9.037 212 HA SER 27 HA SER 27 -1.716 10.919 -8.177 213 HB2 SER 27 HB2 SER 27 -1.285 10.152 -10.562 214 HB3 SER 27 HB1 SER 27 -2.811 9.581 -9.888 215 HG SER 27 HG SER 27 -3.915 10.948 -11.153 216 H ALA 28 HN ALA 28 0.391 11.320 -9.535 217 HA ALA 28 HA ALA 28 0.826 14.194 -9.944 218 HB1 ALA 28 HB1 ALA 28 2.779 11.866 -9.693 219 HB2 ALA 28 HB2 ALA 28 2.407 13.044 -8.432 220 HB3 ALA 28 HB3 ALA 28 3.224 13.565 -9.907 221 H ASN 29 HN ASN 29 0.261 14.609 -12.114 222 HA ASN 29 HA ASN 29 0.416 13.559 -14.443 223 HB2 ASN 29 HB2 ASN 29 0.197 11.198 -13.600 224 HB3 ASN 29 HB1 ASN 29 -1.369 11.585 -12.900 225 HD21 ASN 29 HD21 ASN 29 0.397 11.016 -15.878 226 HD22 ASN 29 HD22 ASN 29 -0.990 10.769 -16.881 227 H ASP 30 HN ASP 30 -2.310 13.232 -12.177 228 HA ASP 30 HA ASP 30 -3.999 15.169 -13.449 229 HB2 ASP 30 HB2 ASP 30 -4.912 13.245 -12.190 230 HB3 ASP 30 HB1 ASP 30 -4.137 13.816 -10.717 231 H ILE 31 HN ILE 31 -1.318 15.430 -11.294 232 HA ILE 31 HA ILE 31 -2.006 18.199 -10.510 233 HB ILE 31 HB ILE 31 -0.886 16.076 -8.612 234 HG12 ILE 31 HG12 ILE 31 -3.500 17.654 -8.561 235 HG13 ILE 31 HG11 ILE 31 -3.330 15.920 -8.815 236 HG21 ILE 31 HG21 ILE 31 -1.233 19.054 -8.074 237 HG22 ILE 31 HG22 ILE 31 0.303 18.202 -8.231 238 HG23 ILE 31 HG23 ILE 31 -0.763 17.845 -6.872 239 HD11 ILE 31 HD11 ILE 31 -2.734 17.420 -6.269 240 HD12 ILE 31 HD12 ILE 31 -2.503 15.685 -6.512 241 HD13 ILE 31 HD13 ILE 31 -4.121 16.385 -6.596 242 H ASP 32 HN ASP 32 -0.329 19.607 -10.668 243 HA ASP 32 HA ASP 32 2.152 18.751 -11.945 244 HB2 ASP 32 HB2 ASP 32 1.229 21.571 -11.215 245 HB3 ASP 32 HB1 ASP 32 2.623 21.171 -12.212 246 H ALA 33 HN ALA 33 1.098 20.226 -8.891 247 HA ALA 33 HA ALA 33 3.590 21.095 -7.870 248 HB1 ALA 33 HB1 ALA 33 1.425 21.912 -7.012 249 HB2 ALA 33 HB2 ALA 33 2.413 21.281 -5.695 250 HB3 ALA 33 HB3 ALA 33 1.075 20.320 -6.331 251 H TRP 34 HN TRP 34 2.327 17.947 -8.112 252 HA TRP 34 HA TRP 34 3.804 16.796 -5.855 253 HB2 TRP 34 HB2 TRP 34 1.374 16.248 -6.417 254 HB3 TRP 34 HB1 TRP 34 1.945 15.440 -7.869 255 HD1 TRP 34 HD1 TRP 34 4.455 14.318 -5.575 256 HE1 TRP 34 HE1 TRP 34 3.802 12.108 -4.429 257 HE3 TRP 34 HE3 TRP 34 -0.558 14.345 -6.552 258 HZ2 TRP 34 HZ2 TRP 34 1.486 10.597 -3.972 259 HZ3 TRP 34 HZ3 TRP 34 -1.930 12.481 -5.719 260 HH2 TRP 34 HH2 TRP 34 -0.923 10.645 -4.452 261 H ASP 35 HN ASP 35 5.866 17.491 -6.987 262 HA ASP 35 HA ASP 35 6.827 15.887 -9.209 263 HB2 ASP 35 HB2 ASP 35 9.021 16.920 -8.788 264 HB3 ASP 35 HB1 ASP 35 7.757 18.145 -8.818 265 H SER 36 HN SER 36 9.110 14.660 -8.762 266 HA SER 36 HA SER 36 8.308 12.341 -7.408 267 HB2 SER 36 HB2 SER 36 11.192 12.281 -7.887 268 HB3 SER 36 HB1 SER 36 9.923 11.339 -8.642 269 H LEU 37 HN LEU 37 10.485 14.936 -6.445 270 HA LEU 37 HA LEU 37 11.445 13.704 -4.049 271 HB2 LEU 37 HB2 LEU 37 11.391 16.612 -4.932 272 HB3 LEU 37 HB1 LEU 37 12.073 16.117 -3.396 273 HG LEU 37 HG LEU 37 13.894 16.406 -4.932 274 HD11 LEU 37 HD11 LEU 37 14.109 14.537 -3.383 275 HD12 LEU 37 HD12 LEU 37 14.961 14.218 -4.890 276 HD13 LEU 37 HD13 LEU 37 13.408 13.439 -4.576 277 HD21 LEU 37 HD21 LEU 37 12.694 16.243 -7.060 278 HD22 LEU 37 HD22 LEU 37 12.524 14.498 -6.856 279 HD23 LEU 37 HD23 LEU 37 14.126 15.215 -7.065 280 H SER 38 HN SER 38 8.583 15.589 -4.793 281 HA SER 38 HA SER 38 7.634 15.881 -2.116 282 HB2 SER 38 HB2 SER 38 6.139 15.889 -4.765 283 HB3 SER 38 HB1 SER 38 5.447 16.371 -3.215 284 HG SER 38 HG SER 38 7.635 17.583 -4.551 285 H HIS 39 HN HIS 39 7.291 13.284 -4.575 286 HA HIS 39 HA HIS 39 5.568 11.568 -3.097 287 HB2 HIS 39 HB2 HIS 39 7.771 10.802 -5.072 288 HB3 HIS 39 HB1 HIS 39 6.631 9.649 -4.382 289 HD2 HIS 39 HD2 HIS 39 6.698 12.594 -6.904 290 HE1 HIS 39 HE1 HIS 39 3.169 10.394 -7.441 291 HE2 HIS 39 HE2 HIS 39 4.523 12.361 -8.236 292 H MET 40 HN MET 40 9.104 11.909 -3.100 293 HA MET 40 HA MET 40 9.760 9.836 -1.355 294 HB2 MET 40 HB2 MET 40 11.162 12.516 -1.740 295 HB3 MET 40 HB1 MET 40 11.849 11.152 -0.862 296 HG2 MET 40 HG2 MET 40 11.195 11.276 -3.815 297 HG3 MET 40 HG1 MET 40 12.792 11.188 -3.064 298 HE1 MET 40 HE1 MET 40 12.176 8.950 -0.720 299 HE2 MET 40 HE2 MET 40 13.648 8.969 -1.692 300 HE3 MET 40 HE3 MET 40 12.698 7.491 -1.572 301 H ASN 41 HN ASN 41 9.034 13.254 -0.630 302 HA ASN 41 HA ASN 41 9.136 13.054 2.197 303 HB2 ASN 41 HB2 ASN 41 7.666 15.041 0.417 304 HB3 ASN 41 HB1 ASN 41 7.788 15.204 2.167 305 HD21 ASN 41 HD21 ASN 41 8.749 16.999 0.136 306 HD22 ASN 41 HD22 ASN 41 10.455 17.142 0.358 307 H LEU 42 HN LEU 42 6.537 12.543 -0.139 308 HA LEU 42 HA LEU 42 4.337 12.456 1.595 309 HB2 LEU 42 HB2 LEU 42 4.339 12.689 -0.931 310 HB3 LEU 42 HB1 LEU 42 4.655 10.973 -1.049 311 HG LEU 42 HG LEU 42 2.252 11.784 -1.458 312 HD11 LEU 42 HD11 LEU 42 2.737 9.418 -1.146 313 HD12 LEU 42 HD12 LEU 42 1.192 9.845 -0.419 314 HD13 LEU 42 HD13 LEU 42 2.611 9.599 0.603 315 HD21 LEU 42 HD21 LEU 42 2.122 13.371 0.398 316 HD22 LEU 42 HD22 LEU 42 2.222 12.045 1.561 317 HD23 LEU 42 HD23 LEU 42 0.833 12.178 0.483 318 H ILE 43 HN ILE 43 6.256 9.769 0.267 319 HA ILE 43 HA ILE 43 4.828 7.712 1.581 320 HB ILE 43 HB ILE 43 7.350 7.824 -0.064 321 HG12 ILE 43 HG12 ILE 43 6.170 5.995 -1.359 322 HG13 ILE 43 HG11 ILE 43 4.835 6.087 -0.219 323 HG21 ILE 43 HG21 ILE 43 7.860 5.413 0.295 324 HG22 ILE 43 HG22 ILE 43 6.704 5.392 1.628 325 HG23 ILE 43 HG23 ILE 43 8.146 6.400 1.731 326 HD11 ILE 43 HD11 ILE 43 5.731 8.261 -2.109 327 HD12 ILE 43 HD12 ILE 43 4.403 8.394 -0.955 328 HD13 ILE 43 HD13 ILE 43 4.309 7.230 -2.274 329 H VAL 44 HN VAL 44 7.918 9.390 2.409 330 HA VAL 44 HA VAL 44 8.465 7.722 4.644 331 HB VAL 44 HB VAL 44 10.144 9.325 5.326 332 HG11 VAL 44 HG11 VAL 44 11.552 9.336 3.306 333 HG12 VAL 44 HG12 VAL 44 10.140 8.954 2.317 334 HG13 VAL 44 HG13 VAL 44 10.722 7.793 3.514 335 HG21 VAL 44 HG21 VAL 44 8.991 11.450 4.972 336 HG22 VAL 44 HG22 VAL 44 9.049 11.220 3.226 337 HG23 VAL 44 HG23 VAL 44 10.544 11.462 4.134 338 H SER 45 HN SER 45 6.565 10.672 4.296 339 HA SER 45 HA SER 45 6.030 11.202 7.019 340 HB2 SER 45 HB2 SER 45 4.249 11.677 4.591 341 HB3 SER 45 HB1 SER 45 3.930 12.321 6.203 342 HG SER 45 HG SER 45 5.579 13.244 4.289 343 H LEU 46 HN LEU 46 4.424 9.046 4.681 344 HA LEU 46 HA LEU 46 2.376 8.087 6.393 345 HB2 LEU 46 HB2 LEU 46 3.724 6.756 4.012 346 HB3 LEU 46 HB1 LEU 46 2.239 6.183 4.765 347 HG LEU 46 HG LEU 46 2.541 8.899 3.416 348 HD11 LEU 46 HD11 LEU 46 1.181 7.969 1.590 349 HD12 LEU 46 HD12 LEU 46 1.243 6.377 2.352 350 HD13 LEU 46 HD13 LEU 46 2.723 7.131 1.752 351 HD21 LEU 46 HD21 LEU 46 0.092 8.996 3.587 352 HD22 LEU 46 HD22 LEU 46 0.845 8.899 5.174 353 HD23 LEU 46 HD23 LEU 46 0.083 7.468 4.473 354 H GLU 47 HN GLU 47 5.659 6.978 5.709 355 HA GLU 47 HA GLU 47 5.578 4.528 7.089 356 HB2 GLU 47 HB2 GLU 47 7.952 6.275 6.318 357 HB3 GLU 47 HB1 GLU 47 8.106 4.644 6.969 358 HG2 GLU 47 HG2 GLU 47 6.805 3.785 5.026 359 HG3 GLU 47 HG1 GLU 47 6.758 5.413 4.361 360 H VAL 48 HN VAL 48 6.660 7.772 8.162 361 HA VAL 48 HA VAL 48 7.378 6.814 10.779 362 HB VAL 48 HB VAL 48 7.868 9.139 11.360 363 HG11 VAL 48 HG11 VAL 48 9.675 9.536 9.715 364 HG12 VAL 48 HG12 VAL 48 8.935 8.361 8.625 365 HG13 VAL 48 HG13 VAL 48 9.572 7.836 10.185 366 HG21 VAL 48 HG21 VAL 48 6.059 10.330 10.184 367 HG22 VAL 48 HG22 VAL 48 6.776 9.922 8.625 368 HG23 VAL 48 HG23 VAL 48 7.629 10.998 9.737 369 H HIS 49 HN HIS 49 4.590 8.701 9.520 370 HA HIS 49 HA HIS 49 3.338 9.211 11.986 371 HB2 HIS 49 HB2 HIS 49 2.276 9.147 9.154 372 HB3 HIS 49 HB1 HIS 49 1.165 9.383 10.493 373 HD1 HIS 49 HD1 HIS 49 0.628 11.773 10.775 374 HD2 HIS 49 HD2 HIS 49 4.548 11.243 9.509 375 HE1 HIS 49 HE1 HIS 49 1.574 14.084 10.517 376 HE2 HIS 49 HE2 HIS 49 3.929 13.737 9.700 377 H TYR 50 HN TYR 50 2.619 6.623 9.631 378 HA TYR 50 HA TYR 50 0.772 5.319 11.484 379 HB2 TYR 50 HB2 TYR 50 1.580 4.564 8.647 380 HB3 TYR 50 HB1 TYR 50 0.317 3.776 9.580 381 HD1 TYR 50 HD2 TYR 50 1.241 6.904 7.806 382 HD2 TYR 50 HD1 TYR 50 -1.902 4.779 9.778 383 HE1 TYR 50 HE2 TYR 50 -0.397 8.497 6.919 384 HE2 TYR 50 HE1 TYR 50 -3.538 6.381 8.885 385 HH TYR 50 HH TYR 50 -2.791 8.591 6.416 386 H LYS 51 HN LYS 51 4.088 5.236 11.170 387 HA LYS 51 HA LYS 51 5.780 3.831 11.615 388 HB2 LYS 51 HB2 LYS 51 3.650 2.540 13.353 389 HB3 LYS 51 HB1 LYS 51 5.310 1.974 13.351 390 HG2 LYS 51 HG2 LYS 51 5.018 3.396 15.254 391 HG3 LYS 51 HG1 LYS 51 6.047 4.246 14.100 392 HD2 LYS 51 HD2 LYS 51 4.064 5.565 13.356 393 HD3 LYS 51 HD1 LYS 51 3.083 4.730 14.563 394 HE2 LYS 51 HE2 LYS 51 4.460 5.690 16.362 395 HE3 LYS 51 HE1 LYS 51 5.486 6.489 15.167 396 HZ1 LYS 51 HZ1 LYS 51 3.901 8.037 16.019 397 HZ2 LYS 51 HZ2 LYS 51 2.616 7.003 15.667 398 HZ3 LYS 51 HZ3 LYS 51 3.500 7.699 14.409 399 H ILE 52 HN ILE 52 4.704 3.416 9.190 400 HA ILE 52 HA ILE 52 4.638 0.478 8.738 401 HB ILE 52 HB ILE 52 3.282 0.875 6.730 402 HG12 ILE 52 HG12 ILE 52 3.410 3.842 7.464 403 HG13 ILE 52 HG11 ILE 52 4.125 3.096 6.041 404 HG21 ILE 52 HG21 ILE 52 1.189 1.627 7.826 405 HG22 ILE 52 HG22 ILE 52 2.131 2.250 9.181 406 HG23 ILE 52 HG23 ILE 52 2.113 0.520 8.841 407 HD11 ILE 52 HD11 ILE 52 2.128 4.277 5.444 408 HD12 ILE 52 HD12 ILE 52 1.181 3.381 6.629 409 HD13 ILE 52 HD13 ILE 52 1.859 2.548 5.226 410 H LYS 53 HN LYS 53 5.141 0.270 6.094 411 HA LYS 53 HA LYS 53 7.395 1.848 5.216 412 HB2 LYS 53 HB2 LYS 53 8.312 0.247 7.013 413 HB3 LYS 53 HB1 LYS 53 7.929 -1.083 5.930 414 HG2 LYS 53 HG2 LYS 53 9.779 1.178 5.109 415 HG3 LYS 53 HG1 LYS 53 10.367 -0.210 6.029 416 HD2 LYS 53 HD2 LYS 53 9.634 -1.724 4.216 417 HD3 LYS 53 HD1 LYS 53 9.020 -0.347 3.303 418 HE2 LYS 53 HE2 LYS 53 11.328 0.568 3.167 419 HE3 LYS 53 HE1 LYS 53 11.929 -0.863 4.015 420 HZ1 LYS 53 HZ1 LYS 53 11.018 -2.218 2.194 421 HZ2 LYS 53 HZ2 LYS 53 12.200 -1.136 1.661 422 HZ3 LYS 53 HZ3 LYS 53 10.567 -0.808 1.375 423 H PHE 54 HN PHE 54 7.448 1.797 3.012 424 HA PHE 54 HA PHE 54 5.884 -0.270 1.543 425 HB2 PHE 54 HB2 PHE 54 6.779 2.485 0.554 426 HB3 PHE 54 HB1 PHE 54 5.752 1.351 -0.317 427 HD1 PHE 54 HD1 PHE 54 5.907 3.723 2.517 428 HD2 PHE 54 HD2 PHE 54 3.358 1.174 0.189 429 HE1 PHE 54 HE1 PHE 54 3.929 4.808 3.484 430 HE2 PHE 54 HE2 PHE 54 1.394 2.277 1.180 431 HZ PHE 54 HZ PHE 54 1.677 4.088 2.813 432 H ALA 55 HN ALA 55 6.815 -1.267 -0.263 433 HA ALA 55 HA ALA 55 9.737 -1.213 -0.518 434 HB1 ALA 55 HB1 ALA 55 9.409 -3.098 -2.090 435 HB2 ALA 55 HB2 ALA 55 7.657 -2.928 -1.941 436 HB3 ALA 55 HB3 ALA 55 8.619 -3.414 -0.544 437 H LEU 56 HN LEU 56 10.777 -0.453 -2.426 438 HA LEU 56 HA LEU 56 9.573 1.591 -3.963 439 HB2 LEU 56 HB2 LEU 56 12.110 1.010 -3.483 440 HB3 LEU 56 HB1 LEU 56 12.001 0.009 -4.911 441 HG LEU 56 HG LEU 56 13.051 2.236 -5.317 442 HD11 LEU 56 HD11 LEU 56 12.009 1.091 -7.199 443 HD12 LEU 56 HD12 LEU 56 11.903 2.841 -7.359 444 HD13 LEU 56 HD13 LEU 56 10.481 1.915 -6.872 445 HD21 LEU 56 HD21 LEU 56 10.335 3.418 -4.685 446 HD22 LEU 56 HD22 LEU 56 11.747 4.292 -5.290 447 HD23 LEU 56 HD23 LEU 56 11.789 3.554 -3.692 448 H GLY 57 HN GLY 57 9.804 -1.905 -4.466 449 HA2 GLY 57 HA2 GLY 57 8.836 -2.166 -7.089 450 HA3 GLY 57 HA1 GLY 57 8.568 -3.320 -5.788 451 H GLU 58 HN GLU 58 7.098 -1.734 -4.014 452 HA GLU 58 HA GLU 58 4.457 -1.786 -5.099 453 HB2 GLU 58 HB2 GLU 58 5.405 -0.562 -2.473 454 HB3 GLU 58 HB1 GLU 58 3.730 -0.903 -2.903 455 HG2 GLU 58 HG2 GLU 58 4.274 -3.320 -3.015 456 HG3 GLU 58 HG1 GLU 58 5.929 -2.960 -2.524 457 H LEU 59 HN LEU 59 6.831 0.799 -4.545 458 HA LEU 59 HA LEU 59 5.265 3.082 -5.009 459 HB2 LEU 59 HB2 LEU 59 8.186 2.434 -5.241 460 HB3 LEU 59 HB1 LEU 59 7.661 3.878 -6.071 461 HG LEU 59 HG LEU 59 8.619 4.329 -3.819 462 HD11 LEU 59 HD11 LEU 59 7.079 5.908 -4.823 463 HD12 LEU 59 HD12 LEU 59 6.881 5.873 -3.076 464 HD13 LEU 59 HD13 LEU 59 5.700 5.066 -4.109 465 HD21 LEU 59 HD21 LEU 59 7.862 2.319 -2.636 466 HD22 LEU 59 HD22 LEU 59 6.190 2.874 -2.725 467 HD23 LEU 59 HD23 LEU 59 7.373 3.783 -1.781 468 H GLN 60 HN GLN 60 6.892 0.930 -7.319 469 HA GLN 60 HA GLN 60 6.192 2.306 -9.695 470 HB2 GLN 60 HB2 GLN 60 6.642 -0.689 -9.430 471 HB3 GLN 60 HB1 GLN 60 6.867 0.292 -10.875 472 HG2 GLN 60 HG2 GLN 60 8.531 0.598 -8.358 473 HG3 GLN 60 HG1 GLN 60 8.966 -0.466 -9.681 474 HE21 GLN 60 HE21 GLN 60 7.660 2.859 -10.120 475 HE22 GLN 60 HE22 GLN 60 9.120 3.496 -10.758 476 H LYS 61 HN LYS 61 4.320 0.305 -7.613 477 HA LYS 61 HA LYS 61 2.125 -0.077 -9.535 478 HB2 LYS 61 HB2 LYS 61 2.511 -1.095 -6.687 479 HB3 LYS 61 HB1 LYS 61 1.111 -1.457 -7.696 480 HG2 LYS 61 HG2 LYS 61 3.984 -2.257 -8.303 481 HG3 LYS 61 HG1 LYS 61 2.733 -3.321 -7.651 482 HD2 LYS 61 HD2 LYS 61 2.668 -1.968 -10.385 483 HD3 LYS 61 HD1 LYS 61 3.032 -3.667 -10.083 484 HE2 LYS 61 HE2 LYS 61 0.739 -3.995 -9.193 485 HE3 LYS 61 HE1 LYS 61 0.382 -2.293 -9.497 486 HZ1 LYS 61 HZ1 LYS 61 1.113 -4.283 -11.566 487 HZ2 LYS 61 HZ2 LYS 61 0.691 -2.669 -11.844 488 HZ3 LYS 61 HZ3 LYS 61 -0.458 -3.754 -11.235 489 H LEU 62 HN LEU 62 3.098 2.170 -7.149 490 HA LEU 62 HA LEU 62 0.439 3.009 -6.312 491 HB2 LEU 62 HB2 LEU 62 3.172 4.295 -5.843 492 HB3 LEU 62 HB1 LEU 62 1.667 4.877 -5.147 493 HG LEU 62 HG LEU 62 2.918 2.171 -4.559 494 HD11 LEU 62 HD11 LEU 62 4.296 3.925 -3.633 495 HD12 LEU 62 HD12 LEU 62 3.461 3.068 -2.341 496 HD13 LEU 62 HD13 LEU 62 2.899 4.663 -2.852 497 HD21 LEU 62 HD21 LEU 62 1.249 1.981 -2.765 498 HD22 LEU 62 HD22 LEU 62 0.495 2.072 -4.352 499 HD23 LEU 62 HD23 LEU 62 0.498 3.490 -3.300 500 H LYS 63 HN LYS 63 -0.558 3.511 -8.324 501 HA LYS 63 HA LYS 63 0.634 5.517 -10.091 502 HB2 LYS 63 HB2 LYS 63 -0.562 3.392 -10.884 503 HB3 LYS 63 HB1 LYS 63 -2.071 4.130 -10.384 504 HG2 LYS 63 HG2 LYS 63 -0.253 5.471 -12.413 505 HG3 LYS 63 HG1 LYS 63 -1.385 4.211 -12.898 506 HD2 LYS 63 HD2 LYS 63 -3.249 5.633 -11.936 507 HD3 LYS 63 HD1 LYS 63 -2.065 6.911 -11.660 508 HE2 LYS 63 HE2 LYS 63 -2.805 5.745 -14.372 509 HE3 LYS 63 HE1 LYS 63 -3.374 7.282 -13.728 510 HZ1 LYS 63 HZ1 LYS 63 -1.522 7.507 -15.304 511 HZ2 LYS 63 HZ2 LYS 63 -0.524 6.637 -14.253 512 HZ3 LYS 63 HZ3 LYS 63 -1.152 8.130 -13.776 513 H ASN 64 HN ASN 64 -1.813 5.274 -7.596 514 HA ASN 64 HA ASN 64 -2.402 8.170 -7.805 515 HB2 ASN 64 HB2 ASN 64 -4.593 6.062 -7.386 516 HB3 ASN 64 HB1 ASN 64 -4.803 7.808 -7.537 517 HD21 ASN 64 HD21 ASN 64 -4.343 4.834 -9.241 518 HD22 ASN 64 HD22 ASN 64 -4.587 5.473 -10.829 519 H VAL 65 HN VAL 65 -3.639 8.949 -5.901 520 HA VAL 65 HA VAL 65 -2.723 8.311 -3.345 521 HB VAL 65 HB VAL 65 -5.393 9.619 -4.082 522 HG11 VAL 65 HG11 VAL 65 -5.357 8.897 -1.714 523 HG12 VAL 65 HG12 VAL 65 -5.323 10.654 -1.835 524 HG13 VAL 65 HG13 VAL 65 -3.844 9.769 -1.459 525 HG21 VAL 65 HG21 VAL 65 -4.232 11.770 -3.827 526 HG22 VAL 65 HG22 VAL 65 -3.488 10.797 -5.095 527 HG23 VAL 65 HG23 VAL 65 -2.713 10.925 -3.517 528 H GLY 66 HN GLY 66 -5.436 7.034 -5.219 529 HA2 GLY 66 HA2 GLY 66 -6.759 5.562 -3.180 530 HA3 GLY 66 HA1 GLY 66 -6.832 5.243 -4.908 531 H ASP 67 HN ASP 67 -4.053 4.778 -5.349 532 HA ASP 67 HA ASP 67 -3.678 2.082 -4.542 533 HB2 ASP 67 HB2 ASP 67 -1.723 4.093 -5.748 534 HB3 ASP 67 HB1 ASP 67 -1.313 2.405 -5.450 535 H LEU 68 HN LEU 68 -2.161 5.164 -3.411 536 HA LEU 68 HA LEU 68 -0.666 4.078 -1.299 537 HB2 LEU 68 HB2 LEU 68 -1.837 6.815 -1.780 538 HB3 LEU 68 HB1 LEU 68 -1.304 6.459 -0.156 539 HG LEU 68 HG LEU 68 0.487 7.593 -1.154 540 HD11 LEU 68 HD11 LEU 68 1.175 5.652 0.144 541 HD12 LEU 68 HD12 LEU 68 2.325 6.020 -1.136 542 HD13 LEU 68 HD13 LEU 68 1.211 4.663 -1.320 543 HD21 LEU 68 HD21 LEU 68 0.303 5.755 -3.561 544 HD22 LEU 68 HD22 LEU 68 1.489 7.044 -3.328 545 HD23 LEU 68 HD23 LEU 68 -0.220 7.441 -3.494 546 H ALA 69 HN ALA 69 -4.047 5.061 -1.424 547 HA ALA 69 HA ALA 69 -4.682 4.892 1.316 548 HB1 ALA 69 HB1 ALA 69 -7.010 4.942 0.537 549 HB2 ALA 69 HB2 ALA 69 -6.494 4.573 -1.104 550 HB3 ALA 69 HB3 ALA 69 -6.039 6.108 -0.361 551 H ASP 70 HN ASP 70 -4.807 2.609 -1.327 552 HA ASP 70 HA ASP 70 -5.930 0.393 0.021 553 HB2 ASP 70 HB2 ASP 70 -5.792 0.595 -2.473 554 HB3 ASP 70 HB1 ASP 70 -4.048 0.375 -2.380 555 H LEU 71 HN LEU 71 -2.537 1.301 -0.655 556 HA LEU 71 HA LEU 71 -1.411 -1.051 0.494 557 HB2 LEU 71 HB2 LEU 71 -0.306 1.459 -0.694 558 HB3 LEU 71 HB1 LEU 71 0.742 0.657 0.449 559 HG LEU 71 HG LEU 71 1.321 -0.026 -1.811 560 HD11 LEU 71 HD11 LEU 71 -0.005 -2.297 -0.300 561 HD12 LEU 71 HD12 LEU 71 1.631 -1.679 -0.053 562 HD13 LEU 71 HD13 LEU 71 1.211 -2.457 -1.575 563 HD21 LEU 71 HD21 LEU 71 -0.233 -1.270 -3.246 564 HD22 LEU 71 HD22 LEU 71 -0.805 0.361 -2.913 565 HD23 LEU 71 HD23 LEU 71 -1.535 -1.014 -2.079 566 H VAL 72 HN VAL 72 -1.485 2.338 1.723 567 HA VAL 72 HA VAL 72 -0.455 2.084 4.246 568 HB VAL 72 HB VAL 72 -2.859 3.796 3.388 569 HG11 VAL 72 HG11 VAL 72 -2.330 5.245 5.356 570 HG12 VAL 72 HG12 VAL 72 -1.111 4.077 5.874 571 HG13 VAL 72 HG13 VAL 72 -2.812 3.616 5.841 572 HG21 VAL 72 HG21 VAL 72 0.103 4.562 3.583 573 HG22 VAL 72 HG22 VAL 72 -1.210 5.645 3.126 574 HG23 VAL 72 HG23 VAL 72 -0.784 4.294 2.081 575 H ASP 73 HN ASP 73 -3.786 1.393 3.170 576 HA ASP 73 HA ASP 73 -4.798 0.659 5.747 577 HB2 ASP 73 HB2 ASP 73 -6.208 1.469 3.819 578 HB3 ASP 73 HB1 ASP 73 -5.913 -0.062 3.001 579 H LYS 74 HN LYS 74 -3.258 -1.089 3.145 580 HA LYS 74 HA LYS 74 -3.718 -3.757 4.070 581 HB2 LYS 74 HB2 LYS 74 -1.500 -2.632 2.308 582 HB3 LYS 74 HB1 LYS 74 -1.589 -4.336 2.733 583 HG2 LYS 74 HG2 LYS 74 -3.680 -2.787 1.171 584 HG3 LYS 74 HG1 LYS 74 -2.505 -3.923 0.500 585 HD2 LYS 74 HD2 LYS 74 -3.543 -5.754 1.836 586 HD3 LYS 74 HD1 LYS 74 -4.728 -4.605 2.466 587 HE2 LYS 74 HE2 LYS 74 -4.400 -5.421 -0.444 588 HE3 LYS 74 HE1 LYS 74 -5.696 -5.924 0.647 589 HZ1 LYS 74 HZ1 LYS 74 -6.394 -3.617 0.811 590 HZ2 LYS 74 HZ2 LYS 74 -6.407 -4.131 -0.797 591 HZ3 LYS 74 HZ3 LYS 74 -5.158 -3.139 -0.238 592 H LYS 75 HN LYS 75 -1.286 -1.302 4.820 593 HA LYS 75 HA LYS 75 0.397 -2.954 6.454 594 HB2 LYS 75 HB2 LYS 75 0.172 0.077 6.623 595 HB3 LYS 75 HB1 LYS 75 1.550 -0.926 7.050 596 HG2 LYS 75 HG2 LYS 75 0.544 -0.362 4.256 597 HG3 LYS 75 HG1 LYS 75 1.951 0.367 5.017 598 HD2 LYS 75 HD2 LYS 75 3.065 -1.826 5.083 599 HD3 LYS 75 HD1 LYS 75 1.636 -2.591 4.380 600 HE2 LYS 75 HE2 LYS 75 1.940 -1.303 2.304 601 HE3 LYS 75 HE1 LYS 75 3.320 -0.458 3.013 602 HZ1 LYS 75 HZ1 LYS 75 3.190 -3.387 2.568 603 HZ2 LYS 75 HZ2 LYS 75 4.531 -2.506 3.111 604 HZ3 LYS 75 HZ3 LYS 75 3.955 -2.287 1.535 605 H LEU 76 HN LEU 76 -2.275 -0.684 7.025 606 HA LEU 76 HA LEU 76 -2.379 -0.692 9.840 607 HB2 LEU 76 HB2 LEU 76 -4.563 -0.292 7.756 608 HB3 LEU 76 HB1 LEU 76 -4.830 -0.045 9.475 609 HG LEU 76 HG LEU 76 -2.742 1.523 7.897 610 HD11 LEU 76 HD11 LEU 76 -5.582 2.399 8.519 611 HD12 LEU 76 HD12 LEU 76 -4.952 1.986 6.926 612 HD13 LEU 76 HD13 LEU 76 -4.318 3.387 7.778 613 HD21 LEU 76 HD21 LEU 76 -2.808 3.078 9.780 614 HD22 LEU 76 HD22 LEU 76 -2.411 1.459 10.347 615 HD23 LEU 76 HD23 LEU 76 -4.038 2.099 10.586 616 H ALA 77 HN ALA 77 -3.784 -2.836 7.413 617 HA ALA 77 HA ALA 77 -5.283 -4.529 9.128 618 HB1 ALA 77 HB1 ALA 77 -5.372 -6.072 7.215 619 HB2 ALA 77 HB2 ALA 77 -4.108 -5.148 6.398 620 HB3 ALA 77 HB3 ALA 77 -5.680 -4.411 6.703 621 H ARG 78 HN ARG 78 -1.895 -4.558 8.100 622 HA ARG 78 HA ARG 78 -1.193 -7.066 9.337 623 HB2 ARG 78 HB2 ARG 78 0.614 -4.702 8.642 624 HB3 ARG 78 HB1 ARG 78 1.155 -6.332 9.029 625 HG2 ARG 78 HG2 ARG 78 -0.487 -5.541 6.604 626 HG3 ARG 78 HG1 ARG 78 1.244 -5.877 6.612 627 HD2 ARG 78 HD2 ARG 78 0.801 -8.202 7.281 628 HD3 ARG 78 HD1 ARG 78 -0.933 -7.876 7.315 629 HE ARG 78 HE ARG 78 -0.603 -7.284 4.845 630 HH11 ARG 78 HH11 ARG 78 1.324 -9.750 6.436 631 HH12 ARG 78 HH12 ARG 78 1.485 -10.717 5.009 632 HH21 ARG 78 HH21 ARG 78 -0.361 -8.536 2.979 633 HH22 ARG 78 HH22 ARG 78 0.541 -10.017 3.033 634 H LYS 79 HN LYS 79 -1.621 -3.795 10.487 635 HA LYS 79 HA LYS 79 -0.198 -4.105 12.987 636 HB2 LYS 79 HB2 LYS 79 -2.107 -1.948 11.999 637 HB3 LYS 79 HB1 LYS 79 -1.298 -1.889 13.563 638 HG2 LYS 79 HG2 LYS 79 0.054 -1.858 10.847 639 HG3 LYS 79 HG1 LYS 79 -0.166 -0.480 11.931 640 HD2 LYS 79 HD2 LYS 79 1.209 -1.838 13.660 641 HD3 LYS 79 HD1 LYS 79 1.627 -2.903 12.311 642 HE2 LYS 79 HE2 LYS 79 2.242 0.064 12.555 643 HE3 LYS 79 HE1 LYS 79 3.393 -1.274 12.619 644 HZ1 LYS 79 HZ1 LYS 79 2.866 -1.784 10.325 645 HZ2 LYS 79 HZ2 LYS 79 3.413 -0.192 10.475 646 HZ3 LYS 79 HZ3 LYS 79 1.761 -0.503 10.264 647 H LEU 80 HN LEU 80 -3.199 -5.226 11.909 648 HA LEU 80 HA LEU 80 -4.898 -4.899 14.117 649 HB2 LEU 80 HB2 LEU 80 -4.860 -6.622 11.711 650 HB3 LEU 80 HB1 LEU 80 -5.633 -7.410 13.067 651 HG LEU 80 HG LEU 80 -7.272 -6.261 11.629 652 HD11 LEU 80 HD11 LEU 80 -7.782 -6.552 13.997 653 HD12 LEU 80 HD12 LEU 80 -8.497 -5.066 13.383 654 HD13 LEU 80 HD13 LEU 80 -7.039 -4.994 14.380 655 HD21 LEU 80 HD21 LEU 80 -5.875 -4.416 10.803 656 HD22 LEU 80 HD22 LEU 80 -5.868 -3.672 12.402 657 HD23 LEU 80 HD23 LEU 80 -7.376 -3.806 11.492 658 H GLU 81 HN GLU 81 -4.054 -5.178 16.014 659 HA GLU 81 HA GLU 81 -2.159 -7.212 16.724 660 HB2 GLU 81 HB2 GLU 81 -2.338 -4.670 17.426 661 HB3 GLU 81 HB1 GLU 81 -3.462 -5.241 18.648 662 HG2 GLU 81 HG2 GLU 81 -0.665 -6.377 18.408 663 HG3 GLU 81 HG1 GLU 81 -0.972 -4.876 19.270 664 H HIS 82 HN HIS 82 -2.492 -8.920 18.193 665 HA HIS 82 HA HIS 82 -4.924 -10.283 17.835 666 HB2 HIS 82 HB2 HIS 82 -3.962 -12.007 19.441 667 HB3 HIS 82 HB1 HIS 82 -2.961 -11.626 18.052 668 HD1 HIS 82 HD1 HIS 82 -0.648 -10.660 18.503 669 HD2 HIS 82 HD2 HIS 82 -2.896 -11.121 21.955 670 HE1 HIS 82 HE1 HIS 82 0.962 -10.343 20.396 671 HE2 HIS 82 HE2 HIS 82 -0.458 -10.463 22.466 672 H HIS 83 HN HIS 83 -3.602 -8.794 20.788 673 HA HIS 83 HA HIS 83 -5.984 -7.683 21.676 674 HB2 HIS 83 HB2 HIS 83 -6.621 -9.004 23.633 675 HB3 HIS 83 HB1 HIS 83 -6.705 -10.026 22.211 676 HD1 HIS 83 HD1 HIS 83 -5.158 -12.069 22.123 677 HD2 HIS 83 HD2 HIS 83 -4.598 -9.736 25.521 678 HE1 HIS 83 HE1 HIS 83 -3.726 -13.443 23.661 679 HE2 HIS 83 HE2 HIS 83 -3.428 -12.033 25.724 680 H HIS 84 HN HIS 84 -5.527 -6.190 23.187 681 HA HIS 84 HA HIS 84 -2.783 -5.877 24.124 682 HB2 HIS 84 HB2 HIS 84 -5.211 -4.049 24.453 683 HB3 HIS 84 HB1 HIS 84 -3.540 -3.614 24.802 684 HD1 HIS 84 HD1 HIS 84 -2.098 -2.848 22.822 685 HD2 HIS 84 HD2 HIS 84 -5.819 -4.283 21.666 686 HE1 HIS 84 HE1 HIS 84 -2.297 -2.313 20.374 687 HE2 HIS 84 HE2 HIS 84 -4.489 -3.335 19.667 688 H HIS 85 HN HIS 85 -3.122 -4.596 26.588 689 HA HIS 85 HA HIS 85 -3.218 -6.844 28.296 690 HB2 HIS 85 HB2 HIS 85 -1.821 -4.841 28.742 691 HB3 HIS 85 HB1 HIS 85 -3.275 -3.917 29.097 692 HD1 HIS 85 HD1 HIS 85 -3.260 -3.558 31.569 693 HD2 HIS 85 HD2 HIS 85 -2.144 -7.433 30.583 694 HE1 HIS 85 HE1 HIS 85 -3.005 -4.758 33.753 695 HE2 HIS 85 HE2 HIS 85 -2.116 -7.024 33.129 696 H HIS 86 HN HIS 86 -5.609 -4.319 27.650 697 HA HIS 86 HA HIS 86 -7.608 -5.716 29.341 698 HB2 HIS 86 HB2 HIS 86 -7.311 -3.335 29.945 699 HB3 HIS 86 HB1 HIS 86 -7.630 -2.842 28.282 700 HD1 HIS 86 HD1 HIS 86 -9.361 -4.482 31.224 701 HD2 HIS 86 HD2 HIS 86 -10.308 -2.447 27.730 702 HE1 HIS 86 HE1 HIS 86 -11.849 -4.173 31.285 703 HE2 HIS 86 HE2 HIS 86 -12.367 -2.776 29.251 704 H HIS 87 HN HIS 87 -7.346 -4.005 26.179 705 HA HIS 87 HA HIS 87 -9.077 -5.985 24.907 706 HB2 HIS 87 HB2 HIS 87 -10.749 -4.412 25.733 707 HB3 HIS 87 HB1 HIS 87 -9.842 -3.039 25.107 708 HD1 HIS 87 HD1 HIS 87 -10.119 -2.456 22.646 709 HD2 HIS 87 HD2 HIS 87 -12.142 -5.917 23.731 710 HE1 HIS 87 HE1 HIS 87 -11.575 -3.022 20.683 711 HE2 HIS 87 HE2 HIS 87 -12.599 -5.241 21.281 712 H282 PNS 88 H282 PNS 88 6.662 12.612 -11.324 713 H281 PNS 88 H281 PNS 88 7.546 11.689 -12.542 714 H303 PNS 88 H303 PNS 88 4.268 9.965 -11.006 715 H302 PNS 88 H302 PNS 88 4.628 11.686 -10.839 716 H301 PNS 88 H301 PNS 88 4.699 10.925 -12.431 717 H313 PNS 88 H313 PNS 88 5.972 9.215 -9.391 718 H312 PNS 88 H312 PNS 88 7.630 9.825 -9.454 719 H311 PNS 88 H311 PNS 88 6.303 10.909 -9.031 720 H32 PNS 88 H32 PNS 88 6.706 9.433 -13.086 721 H33 PNS 88 H33 PNS 88 8.346 8.154 -11.239 722 H36 PNS 88 H36 PNS 88 4.453 8.638 -12.737 723 H372 PNS 88 H372 PNS 88 2.975 6.922 -12.657 724 H371 PNS 88 H371 PNS 88 4.310 5.837 -12.245 725 H382 PNS 88 H382 PNS 88 2.740 5.859 -10.400 726 H381 PNS 88 H381 PNS 88 4.219 6.681 -9.916 727 H41 PNS 88 H41 PNS 88 2.317 7.180 -8.291 728 H422 PNS 88 H422 PNS 88 1.902 9.893 -8.123 729 H421 PNS 88 H421 PNS 88 0.446 9.254 -8.888 730 H431 PNS 88 H431 PNS 88 0.143 7.702 -6.979 731 H432 PNS 88 H432 PNS 88 0.129 9.391 -6.465 732 H44 PNS 88 H44 PNS 88 3.228 8.399 -6.292 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -13.910 1.802 6.061 2 H2 MET 1 HT2 MET 1 -13.637 3.123 5.046 3 H3 MET 1 HT3 MET 1 -13.702 3.343 6.719 4 HA MET 1 HA MET 1 -11.730 2.021 7.012 5 HB2 MET 1 HB2 MET 1 -11.655 2.009 3.959 6 HB3 MET 1 HB1 MET 1 -10.384 1.394 5.006 7 HG2 MET 1 HG2 MET 1 -11.890 -0.357 5.825 8 HG3 MET 1 HG1 MET 1 -13.181 0.266 4.789 9 HE1 MET 1 HE1 MET 1 -11.360 1.058 2.154 10 HE2 MET 1 HE2 MET 1 -12.956 0.308 2.066 11 HE3 MET 1 HE3 MET 1 -11.592 -0.409 1.204 12 HA PRO 2 HA PRO 2 -10.089 6.192 6.729 13 HB2 PRO 2 HB2 PRO 2 -7.865 5.951 8.195 14 HB3 PRO 2 HB1 PRO 2 -9.447 5.626 8.924 15 HG2 PRO 2 HG2 PRO 2 -7.391 3.666 7.897 16 HG3 PRO 2 HG1 PRO 2 -8.331 3.614 9.404 17 HD2 PRO 2 HD2 PRO 2 -9.016 2.248 7.064 18 HD3 PRO 2 HD1 PRO 2 -10.162 2.657 8.360 19 H THR 3 HN THR 3 -9.679 4.684 4.349 20 HA THR 3 HA THR 3 -7.002 4.409 3.526 21 HB THR 3 HB THR 3 -8.073 4.343 1.175 22 HG1 THR 3 HG1 THR 3 -10.218 4.533 0.985 23 HG21 THR 3 HG21 THR 3 -9.177 2.174 1.534 24 HG22 THR 3 HG22 THR 3 -9.200 2.467 3.275 25 HG23 THR 3 HG23 THR 3 -7.658 2.278 2.431 26 H LEU 4 HN LEU 4 -9.324 6.761 2.123 27 HA LEU 4 HA LEU 4 -7.200 8.561 1.329 28 HB2 LEU 4 HB2 LEU 4 -10.227 8.826 1.160 29 HB3 LEU 4 HB1 LEU 4 -9.095 9.987 0.476 30 HG LEU 4 HG LEU 4 -9.296 7.064 -0.380 31 HD11 LEU 4 HD11 LEU 4 -10.335 7.885 -2.440 32 HD12 LEU 4 HD12 LEU 4 -10.335 9.534 -1.804 33 HD13 LEU 4 HD13 LEU 4 -11.314 8.285 -1.026 34 HD21 LEU 4 HD21 LEU 4 -7.705 9.344 -1.615 35 HD22 LEU 4 HD22 LEU 4 -7.844 7.703 -2.254 36 HD23 LEU 4 HD23 LEU 4 -7.039 7.980 -0.713 37 H ASP 5 HN ASP 5 -9.511 8.305 3.930 38 HA ASP 5 HA ASP 5 -9.674 10.906 4.928 39 HB2 ASP 5 HB2 ASP 5 -9.702 8.334 6.579 40 HB3 ASP 5 HB1 ASP 5 -10.341 9.895 7.094 41 H ALA 6 HN ALA 6 -7.411 8.314 5.901 42 HA ALA 6 HA ALA 6 -5.959 9.823 7.818 43 HB1 ALA 6 HB1 ALA 6 -4.352 7.964 7.793 44 HB2 ALA 6 HB2 ALA 6 -5.089 7.330 6.317 45 HB3 ALA 6 HB3 ALA 6 -6.010 7.366 7.820 46 H LEU 7 HN LEU 7 -5.603 9.400 4.371 47 HA LEU 7 HA LEU 7 -2.935 10.426 4.148 48 HB2 LEU 7 HB2 LEU 7 -5.106 9.991 2.065 49 HB3 LEU 7 HB1 LEU 7 -3.469 10.489 1.683 50 HG LEU 7 HG LEU 7 -4.304 7.830 2.888 51 HD11 LEU 7 HD11 LEU 7 -3.073 8.499 0.197 52 HD12 LEU 7 HD12 LEU 7 -4.740 7.996 0.498 53 HD13 LEU 7 HD13 LEU 7 -3.419 6.878 0.810 54 HD21 LEU 7 HD21 LEU 7 -1.498 8.846 2.332 55 HD22 LEU 7 HD22 LEU 7 -1.923 7.184 2.754 56 HD23 LEU 7 HD23 LEU 7 -2.199 8.480 3.912 57 H THR 8 HN THR 8 -6.160 11.886 4.015 58 HA THR 8 HA THR 8 -5.721 14.134 2.493 59 HB THR 8 HB THR 8 -7.601 13.711 4.826 60 HG1 THR 8 HG1 THR 8 -7.666 12.624 2.610 61 HG21 THR 8 HG21 THR 8 -8.896 15.687 4.051 62 HG22 THR 8 HG22 THR 8 -7.600 16.090 2.920 63 HG23 THR 8 HG23 THR 8 -7.305 16.153 4.658 64 HA PRO 9 HA PRO 9 -4.238 16.813 6.375 65 HB2 PRO 9 HB2 PRO 9 -3.246 14.682 8.260 66 HB3 PRO 9 HB1 PRO 9 -4.094 16.195 8.623 67 HG2 PRO 9 HG2 PRO 9 -5.396 13.893 8.796 68 HG3 PRO 9 HG1 PRO 9 -6.200 15.300 8.055 69 HD2 PRO 9 HD2 PRO 9 -4.832 12.962 6.678 70 HD3 PRO 9 HD1 PRO 9 -6.433 13.666 6.353 71 H ILE 10 HN ILE 10 -2.673 13.797 5.476 72 HA ILE 10 HA ILE 10 0.038 14.566 6.003 73 HB ILE 10 HB ILE 10 -0.944 12.364 4.130 74 HG12 ILE 10 HG12 ILE 10 -1.892 12.038 6.394 75 HG13 ILE 10 HG11 ILE 10 -0.704 10.796 6.036 76 HG21 ILE 10 HG21 ILE 10 1.766 12.715 5.478 77 HG22 ILE 10 HG22 ILE 10 1.421 12.898 3.756 78 HG23 ILE 10 HG23 ILE 10 1.272 11.317 4.520 79 HD11 ILE 10 HD11 ILE 10 -0.534 11.545 8.329 80 HD12 ILE 10 HD12 ILE 10 -0.258 13.205 7.798 81 HD13 ILE 10 HD13 ILE 10 0.928 11.949 7.435 82 H PHE 11 HN PHE 11 -2.015 14.492 3.081 83 HA PHE 11 HA PHE 11 -0.008 15.300 1.219 84 HB2 PHE 11 HB2 PHE 11 -3.037 15.142 1.115 85 HB3 PHE 11 HB1 PHE 11 -2.145 15.888 -0.206 86 HD1 PHE 11 HD1 PHE 11 -1.961 12.731 1.846 87 HD2 PHE 11 HD2 PHE 11 -1.705 14.509 -2.022 88 HE1 PHE 11 HE1 PHE 11 -1.616 10.516 0.849 89 HE2 PHE 11 HE2 PHE 11 -1.367 12.294 -2.996 90 HZ PHE 11 HZ PHE 11 -1.316 10.297 -1.577 91 H ARG 12 HN ARG 12 -2.694 17.017 2.817 92 HA ARG 12 HA ARG 12 -2.177 19.564 1.739 93 HB2 ARG 12 HB2 ARG 12 -3.634 18.755 4.284 94 HB3 ARG 12 HB1 ARG 12 -3.684 20.377 3.583 95 HG2 ARG 12 HG2 ARG 12 -4.721 19.469 1.531 96 HG3 ARG 12 HG1 ARG 12 -4.642 17.837 2.203 97 HD2 ARG 12 HD2 ARG 12 -6.202 18.458 3.980 98 HD3 ARG 12 HD1 ARG 12 -6.222 20.135 3.415 99 HE ARG 12 HE ARG 12 -6.966 18.455 1.291 100 HH11 ARG 12 HH11 ARG 12 -8.282 19.496 4.371 101 HH12 ARG 12 HH12 ARG 12 -9.930 19.406 3.833 102 HH21 ARG 12 HH21 ARG 12 -9.099 18.315 0.593 103 HH22 ARG 12 HH22 ARG 12 -10.392 18.731 1.678 104 H GLN 13 HN GLN 13 -0.647 17.889 4.409 105 HA GLN 13 HA GLN 13 0.693 20.216 5.471 106 HB2 GLN 13 HB2 GLN 13 0.178 18.141 6.821 107 HB3 GLN 13 HB1 GLN 13 1.362 17.262 5.864 108 HG2 GLN 13 HG2 GLN 13 2.394 17.857 7.952 109 HG3 GLN 13 HG1 GLN 13 3.127 18.848 6.690 110 HE21 GLN 13 HE21 GLN 13 3.794 20.427 8.183 111 HE22 GLN 13 HE22 GLN 13 2.688 21.510 8.946 112 H VAL 14 HN VAL 14 1.783 17.364 3.587 113 HA VAL 14 HA VAL 14 4.478 18.116 3.262 114 HB VAL 14 HB VAL 14 2.729 16.152 1.710 115 HG11 VAL 14 HG11 VAL 14 4.805 15.177 0.736 116 HG12 VAL 14 HG12 VAL 14 5.739 16.513 1.417 117 HG13 VAL 14 HG13 VAL 14 4.526 16.831 0.175 118 HG21 VAL 14 HG21 VAL 14 4.905 15.684 3.792 119 HG22 VAL 14 HG22 VAL 14 3.987 14.422 2.968 120 HG23 VAL 14 HG23 VAL 14 3.166 15.537 4.065 121 H PHE 15 HN PHE 15 1.775 18.335 0.936 122 HA PHE 15 HA PHE 15 3.333 19.843 -0.988 123 HB2 PHE 15 HB2 PHE 15 0.377 19.105 -1.012 124 HB3 PHE 15 HB1 PHE 15 1.267 19.806 -2.359 125 HD1 PHE 15 HD2 PHE 15 3.264 18.457 -3.320 126 HD2 PHE 15 HD1 PHE 15 0.319 16.734 -0.746 127 HE1 PHE 15 HE2 PHE 15 3.901 16.208 -4.071 128 HE2 PHE 15 HE1 PHE 15 0.978 14.489 -1.503 129 HZ PHE 15 HZ PHE 15 2.768 14.224 -3.167 130 H ASP 16 HN ASP 16 1.378 20.596 1.752 131 HA ASP 16 HA ASP 16 0.954 22.531 2.841 132 HB2 ASP 16 HB2 ASP 16 3.346 23.020 2.231 133 HB3 ASP 16 HB1 ASP 16 2.788 23.820 0.771 134 H ASP 17 HN ASP 17 -0.819 21.601 0.848 135 HA ASP 17 HA ASP 17 -2.185 24.070 -0.011 136 HB2 ASP 17 HB2 ASP 17 -0.919 23.313 -1.981 137 HB3 ASP 17 HB1 ASP 17 -1.557 21.677 -1.804 138 H ASP 18 HN ASP 18 -4.157 24.037 0.835 139 HA ASP 18 HA ASP 18 -5.413 21.624 1.839 140 HB2 ASP 18 HB2 ASP 18 -5.554 23.728 3.115 141 HB3 ASP 18 HB1 ASP 18 -6.344 24.528 1.760 142 H SER 19 HN SER 19 -5.441 23.267 -1.163 143 HA SER 19 HA SER 19 -8.151 22.894 -1.989 144 HB2 SER 19 HB2 SER 19 -5.739 23.133 -3.833 145 HB3 SER 19 HB1 SER 19 -7.414 23.535 -4.212 146 HG SER 19 HG SER 19 -5.489 24.969 -2.883 147 H ILE 20 HN ILE 20 -5.470 20.761 -1.745 148 HA ILE 20 HA ILE 20 -6.090 18.699 -3.544 149 HB ILE 20 HB ILE 20 -4.844 18.488 -0.757 150 HG12 ILE 20 HG12 ILE 20 -3.429 18.749 -3.453 151 HG13 ILE 20 HG11 ILE 20 -3.629 20.064 -2.302 152 HG21 ILE 20 HG21 ILE 20 -4.686 16.523 -3.072 153 HG22 ILE 20 HG22 ILE 20 -5.559 16.276 -1.560 154 HG23 ILE 20 HG23 ILE 20 -3.800 16.386 -1.552 155 HD11 ILE 20 HD11 ILE 20 -2.065 17.529 -1.836 156 HD12 ILE 20 HD12 ILE 20 -2.260 18.848 -0.676 157 HD13 ILE 20 HD13 ILE 20 -1.407 19.124 -2.196 158 H VAL 21 HN VAL 21 -8.069 17.737 -3.663 159 HA VAL 21 HA VAL 21 -9.268 16.594 -1.212 160 HB VAL 21 HB VAL 21 -10.800 17.463 -3.713 161 HG11 VAL 21 HG11 VAL 21 -11.830 16.339 -1.073 162 HG12 VAL 21 HG12 VAL 21 -11.823 15.493 -2.623 163 HG13 VAL 21 HG13 VAL 21 -12.838 16.920 -2.402 164 HG21 VAL 21 HG21 VAL 21 -11.821 19.219 -2.276 165 HG22 VAL 21 HG22 VAL 21 -10.075 19.438 -2.419 166 HG23 VAL 21 HG23 VAL 21 -10.759 18.743 -0.947 167 H LEU 22 HN LEU 22 -8.928 14.472 -1.217 168 HA LEU 22 HA LEU 22 -7.689 13.225 -3.508 169 HB2 LEU 22 HB2 LEU 22 -8.278 12.163 -0.719 170 HB3 LEU 22 HB1 LEU 22 -7.291 11.344 -1.927 171 HG LEU 22 HG LEU 22 -6.631 14.048 -0.678 172 HD11 LEU 22 HD11 LEU 22 -4.806 12.880 0.470 173 HD12 LEU 22 HD12 LEU 22 -5.381 11.337 -0.165 174 HD13 LEU 22 HD13 LEU 22 -6.382 12.260 0.960 175 HD21 LEU 22 HD21 LEU 22 -5.772 13.892 -2.970 176 HD22 LEU 22 HD22 LEU 22 -5.013 12.339 -2.610 177 HD23 LEU 22 HD23 LEU 22 -4.446 13.808 -1.813 178 H THR 23 HN THR 23 -8.433 11.634 -4.750 179 HA THR 23 HA THR 23 -10.929 10.178 -4.088 180 HB THR 23 HB THR 23 -11.425 9.995 -6.538 181 HG1 THR 23 HG1 THR 23 -10.183 11.867 -7.717 182 HG21 THR 23 HG21 THR 23 -11.261 12.885 -5.603 183 HG22 THR 23 HG22 THR 23 -12.591 11.767 -5.289 184 HG23 THR 23 HG23 THR 23 -12.248 12.287 -6.939 185 H ARG 24 HN ARG 24 -10.948 8.123 -5.560 186 HA ARG 24 HA ARG 24 -8.626 6.561 -5.122 187 HB2 ARG 24 HB2 ARG 24 -10.998 5.973 -6.937 188 HB3 ARG 24 HB1 ARG 24 -9.835 4.791 -6.340 189 HG2 ARG 24 HG2 ARG 24 -10.616 5.134 -4.037 190 HG3 ARG 24 HG1 ARG 24 -11.728 6.392 -4.580 191 HD2 ARG 24 HD2 ARG 24 -12.879 4.669 -6.008 192 HD3 ARG 24 HD1 ARG 24 -11.840 3.439 -5.285 193 HE ARG 24 HE ARG 24 -13.250 4.937 -3.301 194 HH11 ARG 24 HH11 ARG 24 -13.651 2.296 -5.599 195 HH12 ARG 24 HH12 ARG 24 -14.989 1.604 -4.742 196 HH21 ARG 24 HH21 ARG 24 -15.014 4.015 -2.202 197 HH22 ARG 24 HH22 ARG 24 -15.760 2.578 -2.822 198 H GLU 25 HN GLU 25 -9.292 8.825 -7.576 199 HA GLU 25 HA GLU 25 -7.393 7.608 -9.488 200 HB2 GLU 25 HB2 GLU 25 -8.689 8.814 -11.269 201 HB3 GLU 25 HB1 GLU 25 -9.620 7.583 -10.420 202 HG2 GLU 25 HG2 GLU 25 -10.604 9.403 -8.986 203 HG3 GLU 25 HG1 GLU 25 -9.791 10.584 -10.012 204 H THR 26 HN THR 26 -7.784 10.223 -7.336 205 HA THR 26 HA THR 26 -6.246 12.241 -8.648 206 HB THR 26 HB THR 26 -6.360 11.578 -5.658 207 HG1 THR 26 HG1 THR 26 -8.175 12.656 -7.325 208 HG21 THR 26 HG21 THR 26 -5.490 14.166 -7.012 209 HG22 THR 26 HG22 THR 26 -4.427 13.048 -6.148 210 HG23 THR 26 HG23 THR 26 -5.686 13.927 -5.276 211 H SER 27 HN SER 27 -3.923 12.518 -8.700 212 HA SER 27 HA SER 27 -2.110 10.573 -7.548 213 HB2 SER 27 HB2 SER 27 -1.317 9.710 -9.783 214 HB3 SER 27 HB1 SER 27 -2.975 9.228 -9.416 215 HG SER 27 HG SER 27 -3.650 11.041 -10.736 216 H ALA 28 HN ALA 28 0.108 10.857 -9.001 217 HA ALA 28 HA ALA 28 1.229 13.335 -8.512 218 HB1 ALA 28 HB1 ALA 28 2.489 11.253 -8.864 219 HB2 ALA 28 HB2 ALA 28 3.095 12.551 -9.894 220 HB3 ALA 28 HB3 ALA 28 2.072 11.285 -10.581 221 H ASN 29 HN ASN 29 -0.593 12.284 -11.298 222 HA ASN 29 HA ASN 29 0.067 14.290 -13.174 223 HB2 ASN 29 HB2 ASN 29 -0.949 12.286 -13.963 224 HB3 ASN 29 HB1 ASN 29 -2.252 12.372 -12.788 225 HD21 ASN 29 HD21 ASN 29 -4.087 13.567 -13.263 226 HD22 ASN 29 HD22 ASN 29 -4.389 14.266 -14.814 227 H ASP 30 HN ASP 30 -2.275 14.151 -10.537 228 HA ASP 30 HA ASP 30 -3.871 16.389 -11.488 229 HB2 ASP 30 HB2 ASP 30 -4.092 14.709 -8.950 230 HB3 ASP 30 HB1 ASP 30 -5.296 15.874 -9.511 231 H ILE 31 HN ILE 31 -1.132 16.079 -9.460 232 HA ILE 31 HA ILE 31 -1.566 18.781 -8.295 233 HB ILE 31 HB ILE 31 -0.062 16.421 -7.046 234 HG12 ILE 31 HG12 ILE 31 -2.551 17.919 -6.086 235 HG13 ILE 31 HG11 ILE 31 -2.543 16.307 -6.793 236 HG21 ILE 31 HG21 ILE 31 0.437 17.910 -5.118 237 HG22 ILE 31 HG22 ILE 31 -0.266 19.275 -5.985 238 HG23 ILE 31 HG23 ILE 31 1.191 18.495 -6.600 239 HD11 ILE 31 HD11 ILE 31 -1.296 17.099 -4.153 240 HD12 ILE 31 HD12 ILE 31 -1.294 15.475 -4.849 241 HD13 ILE 31 HD13 ILE 31 -2.813 16.238 -4.390 242 H ASP 32 HN ASP 32 -0.345 20.134 -9.467 243 HA ASP 32 HA ASP 32 1.714 19.396 -11.223 244 HB2 ASP 32 HB2 ASP 32 0.367 21.442 -11.528 245 HB3 ASP 32 HB1 ASP 32 1.040 22.127 -10.055 246 H ALA 33 HN ALA 33 1.862 20.630 -7.919 247 HA ALA 33 HA ALA 33 4.717 20.988 -7.844 248 HB1 ALA 33 HB1 ALA 33 4.388 21.438 -5.455 249 HB2 ALA 33 HB2 ALA 33 2.723 20.854 -5.558 250 HB3 ALA 33 HB3 ALA 33 3.205 22.311 -6.430 251 H TRP 34 HN TRP 34 2.912 18.135 -7.839 252 HA TRP 34 HA TRP 34 4.414 16.582 -5.925 253 HB2 TRP 34 HB2 TRP 34 1.994 16.180 -6.644 254 HB3 TRP 34 HB1 TRP 34 2.605 15.580 -8.173 255 HD1 TRP 34 HD1 TRP 34 5.009 13.735 -6.752 256 HE1 TRP 34 HE1 TRP 34 4.262 11.541 -5.654 257 HE3 TRP 34 HE3 TRP 34 0.038 14.749 -6.113 258 HZ2 TRP 34 HZ2 TRP 34 1.938 10.382 -4.656 259 HZ3 TRP 34 HZ3 TRP 34 -1.385 13.031 -5.085 260 HH2 TRP 34 HH2 TRP 34 -0.449 10.886 -4.374 261 H ASP 35 HN ASP 35 6.579 17.294 -6.926 262 HA ASP 35 HA ASP 35 7.593 15.754 -9.112 263 HB2 ASP 35 HB2 ASP 35 8.963 17.042 -6.710 264 HB3 ASP 35 HB1 ASP 35 9.856 16.236 -7.999 265 H SER 36 HN SER 36 9.356 14.090 -8.775 266 HA SER 36 HA SER 36 8.666 11.788 -7.371 267 HB2 SER 36 HB2 SER 36 11.590 12.381 -7.893 268 HB3 SER 36 HB1 SER 36 10.672 10.904 -8.221 269 H LEU 37 HN LEU 37 10.653 14.488 -6.539 270 HA LEU 37 HA LEU 37 11.778 13.655 -4.104 271 HB2 LEU 37 HB2 LEU 37 11.140 16.453 -5.139 272 HB3 LEU 37 HB1 LEU 37 12.095 16.138 -3.704 273 HG LEU 37 HG LEU 37 13.582 16.728 -5.491 274 HD11 LEU 37 HD11 LEU 37 13.832 13.748 -5.048 275 HD12 LEU 37 HD12 LEU 37 14.430 15.022 -3.983 276 HD13 LEU 37 HD13 LEU 37 15.105 14.843 -5.599 277 HD21 LEU 37 HD21 LEU 37 12.443 14.504 -7.203 278 HD22 LEU 37 HD22 LEU 37 13.788 15.571 -7.623 279 HD23 LEU 37 HD23 LEU 37 12.167 16.233 -7.427 280 H SER 38 HN SER 38 8.825 15.451 -4.892 281 HA SER 38 HA SER 38 7.899 15.924 -2.238 282 HB2 SER 38 HB2 SER 38 6.287 15.852 -4.825 283 HB3 SER 38 HB1 SER 38 5.856 16.699 -3.338 284 HG SER 38 HG SER 38 6.736 18.211 -4.676 285 H HIS 39 HN HIS 39 7.331 13.403 -4.637 286 HA HIS 39 HA HIS 39 5.346 11.857 -3.409 287 HB2 HIS 39 HB2 HIS 39 6.141 11.566 -5.771 288 HB3 HIS 39 HB1 HIS 39 7.651 10.891 -5.176 289 HD2 HIS 39 HD2 HIS 39 7.601 8.189 -4.725 290 HE1 HIS 39 HE1 HIS 39 3.442 7.665 -5.301 291 HE2 HIS 39 HE2 HIS 39 5.680 6.496 -5.123 292 H MET 40 HN MET 40 8.875 11.775 -3.101 293 HA MET 40 HA MET 40 9.000 9.570 -1.302 294 HB2 MET 40 HB2 MET 40 11.028 11.732 -1.972 295 HB3 MET 40 HB1 MET 40 11.372 10.389 -0.884 296 HG2 MET 40 HG2 MET 40 10.626 10.150 -3.809 297 HG3 MET 40 HG1 MET 40 12.239 9.948 -3.121 298 HE1 MET 40 HE1 MET 40 11.641 8.272 -0.437 299 HE2 MET 40 HE2 MET 40 12.947 7.900 -1.563 300 HE3 MET 40 HE3 MET 40 11.836 6.630 -1.048 301 H ASN 41 HN ASN 41 8.880 13.119 -0.826 302 HA ASN 41 HA ASN 41 9.175 13.208 1.987 303 HB2 ASN 41 HB2 ASN 41 7.650 15.039 0.090 304 HB3 ASN 41 HB1 ASN 41 7.651 15.326 1.826 305 HD21 ASN 41 HD21 ASN 41 9.425 15.631 -1.096 306 HD22 ASN 41 HD22 ASN 41 10.785 16.449 -0.423 307 H LEU 42 HN LEU 42 6.341 12.668 -0.055 308 HA LEU 42 HA LEU 42 4.345 12.714 1.928 309 HB2 LEU 42 HB2 LEU 42 4.165 12.894 -0.649 310 HB3 LEU 42 HB1 LEU 42 4.239 11.147 -0.687 311 HG LEU 42 HG LEU 42 1.927 12.109 -0.922 312 HD11 LEU 42 HD11 LEU 42 2.189 9.806 -0.162 313 HD12 LEU 42 HD12 LEU 42 0.782 10.566 0.572 314 HD13 LEU 42 HD13 LEU 42 2.256 10.348 1.517 315 HD21 LEU 42 HD21 LEU 42 0.775 13.051 1.023 316 HD22 LEU 42 HD22 LEU 42 2.166 14.034 0.582 317 HD23 LEU 42 HD23 LEU 42 2.258 12.955 1.976 318 H ILE 43 HN ILE 43 6.089 9.981 0.444 319 HA ILE 43 HA ILE 43 4.725 7.933 1.857 320 HB ILE 43 HB ILE 43 7.142 8.024 0.060 321 HG12 ILE 43 HG12 ILE 43 5.883 6.279 -1.208 322 HG13 ILE 43 HG11 ILE 43 4.649 6.243 0.040 323 HG21 ILE 43 HG21 ILE 43 7.633 5.602 0.375 324 HG22 ILE 43 HG22 ILE 43 6.548 5.582 1.768 325 HG23 ILE 43 HG23 ILE 43 8.012 6.565 1.806 326 HD11 ILE 43 HD11 ILE 43 3.888 7.449 -1.885 327 HD12 ILE 43 HD12 ILE 43 5.275 8.534 -1.805 328 HD13 ILE 43 HD13 ILE 43 4.059 8.560 -0.525 329 H VAL 44 HN VAL 44 7.911 9.548 2.491 330 HA VAL 44 HA VAL 44 8.595 7.901 4.695 331 HB VAL 44 HB VAL 44 10.303 9.540 5.295 332 HG11 VAL 44 HG11 VAL 44 11.613 9.560 3.203 333 HG12 VAL 44 HG12 VAL 44 10.165 9.108 2.303 334 HG13 VAL 44 HG13 VAL 44 10.847 7.991 3.489 335 HG21 VAL 44 HG21 VAL 44 9.093 11.382 3.206 336 HG22 VAL 44 HG22 VAL 44 10.602 11.660 4.076 337 HG23 VAL 44 HG23 VAL 44 9.070 11.646 4.950 338 H SER 45 HN SER 45 6.621 10.798 4.458 339 HA SER 45 HA SER 45 6.297 11.374 7.212 340 HB2 SER 45 HB2 SER 45 4.356 11.808 4.904 341 HB3 SER 45 HB1 SER 45 4.165 12.505 6.515 342 HG SER 45 HG SER 45 6.550 12.885 5.079 343 H LEU 46 HN LEU 46 4.514 9.180 5.026 344 HA LEU 46 HA LEU 46 2.557 8.331 6.913 345 HB2 LEU 46 HB2 LEU 46 3.632 6.936 4.434 346 HB3 LEU 46 HB1 LEU 46 2.196 6.435 5.319 347 HG LEU 46 HG LEU 46 2.498 9.126 3.916 348 HD11 LEU 46 HD11 LEU 46 0.938 8.252 2.223 349 HD12 LEU 46 HD12 LEU 46 0.976 6.664 2.997 350 HD13 LEU 46 HD13 LEU 46 2.439 7.325 2.262 351 HD21 LEU 46 HD21 LEU 46 0.080 9.359 4.312 352 HD22 LEU 46 HD22 LEU 46 0.967 9.224 5.827 353 HD23 LEU 46 HD23 LEU 46 0.069 7.835 5.207 354 H GLU 47 HN GLU 47 5.781 7.174 6.117 355 HA GLU 47 HA GLU 47 5.872 4.723 7.467 356 HB2 GLU 47 HB2 GLU 47 8.129 6.744 7.079 357 HB3 GLU 47 HB1 GLU 47 8.349 5.045 7.495 358 HG2 GLU 47 HG2 GLU 47 7.036 5.986 4.930 359 HG3 GLU 47 HG1 GLU 47 8.766 5.697 5.080 360 H VAL 48 HN VAL 48 7.005 7.922 8.613 361 HA VAL 48 HA VAL 48 7.653 7.005 11.216 362 HB VAL 48 HB VAL 48 8.030 9.368 11.798 363 HG11 VAL 48 HG11 VAL 48 9.817 9.850 10.152 364 HG12 VAL 48 HG12 VAL 48 9.146 8.622 9.072 365 HG13 VAL 48 HG13 VAL 48 9.810 8.153 10.640 366 HG21 VAL 48 HG21 VAL 48 6.162 10.444 10.593 367 HG22 VAL 48 HG22 VAL 48 6.918 10.059 9.046 368 HG23 VAL 48 HG23 VAL 48 7.698 11.195 10.153 369 H HIS 49 HN HIS 49 4.794 8.688 9.927 370 HA HIS 49 HA HIS 49 3.477 9.222 12.349 371 HB2 HIS 49 HB2 HIS 49 2.587 9.017 9.473 372 HB3 HIS 49 HB1 HIS 49 1.335 9.023 10.705 373 HD1 HIS 49 HD1 HIS 49 0.758 11.213 11.792 374 HD2 HIS 49 HD2 HIS 49 4.079 11.485 9.310 375 HE1 HIS 49 HE1 HIS 49 1.207 13.670 11.534 376 HE2 HIS 49 HE2 HIS 49 3.300 13.806 10.139 377 H TYR 50 HN TYR 50 2.901 6.515 10.095 378 HA TYR 50 HA TYR 50 1.041 5.276 12.006 379 HB2 TYR 50 HB2 TYR 50 1.583 4.637 9.069 380 HB3 TYR 50 HB1 TYR 50 0.317 3.905 10.051 381 HD1 TYR 50 HD1 TYR 50 -1.670 5.272 10.768 382 HD2 TYR 50 HD2 TYR 50 1.311 6.900 8.170 383 HE1 TYR 50 HE1 TYR 50 -3.165 7.140 10.212 384 HE2 TYR 50 HE2 TYR 50 -0.194 8.763 7.617 385 HH TYR 50 HH TYR 50 -3.115 9.342 9.369 386 H LYS 51 HN LYS 51 4.295 5.050 11.452 387 HA LYS 51 HA LYS 51 5.946 3.610 11.960 388 HB2 LYS 51 HB2 LYS 51 3.737 2.519 13.721 389 HB3 LYS 51 HB1 LYS 51 5.266 1.664 13.646 390 HG2 LYS 51 HG2 LYS 51 5.209 3.142 15.590 391 HG3 LYS 51 HG1 LYS 51 6.459 3.655 14.450 392 HD2 LYS 51 HD2 LYS 51 4.871 5.414 13.592 393 HD3 LYS 51 HD1 LYS 51 3.718 4.932 14.842 394 HE2 LYS 51 HE2 LYS 51 5.308 5.605 16.591 395 HE3 LYS 51 HE1 LYS 51 6.519 5.996 15.367 396 HZ1 LYS 51 HZ1 LYS 51 5.407 7.964 16.164 397 HZ2 LYS 51 HZ2 LYS 51 3.899 7.345 15.713 398 HZ3 LYS 51 HZ3 LYS 51 5.049 7.718 14.528 399 H ILE 52 HN ILE 52 4.707 3.237 9.508 400 HA ILE 52 HA ILE 52 4.501 0.304 9.114 401 HB ILE 52 HB ILE 52 3.206 0.799 7.055 402 HG12 ILE 52 HG12 ILE 52 3.386 3.726 7.942 403 HG13 ILE 52 HG11 ILE 52 4.139 3.043 6.503 404 HG21 ILE 52 HG21 ILE 52 2.076 2.101 9.561 405 HG22 ILE 52 HG22 ILE 52 2.024 0.383 9.165 406 HG23 ILE 52 HG23 ILE 52 1.124 1.539 8.183 407 HD11 ILE 52 HD11 ILE 52 2.162 4.302 5.923 408 HD12 ILE 52 HD12 ILE 52 1.179 3.336 7.020 409 HD13 ILE 52 HD13 ILE 52 1.887 2.592 5.585 410 H LYS 53 HN LYS 53 5.052 -0.153 6.606 411 HA LYS 53 HA LYS 53 7.581 1.152 5.851 412 HB2 LYS 53 HB2 LYS 53 8.059 -0.790 7.435 413 HB3 LYS 53 HB1 LYS 53 7.360 -1.874 6.249 414 HG2 LYS 53 HG2 LYS 53 9.766 -0.122 5.634 415 HG3 LYS 53 HG1 LYS 53 9.926 -1.714 6.371 416 HD2 LYS 53 HD2 LYS 53 8.735 -1.122 3.623 417 HD3 LYS 53 HD1 LYS 53 10.324 -1.823 3.933 418 HE2 LYS 53 HE2 LYS 53 7.659 -3.106 4.655 419 HE3 LYS 53 HE1 LYS 53 8.657 -3.536 3.265 420 HZ1 LYS 53 HZ1 LYS 53 10.378 -4.271 4.723 421 HZ2 LYS 53 HZ2 LYS 53 8.935 -5.032 5.168 422 HZ3 LYS 53 HZ3 LYS 53 9.533 -3.747 6.091 423 H PHE 54 HN PHE 54 6.924 1.836 3.871 424 HA PHE 54 HA PHE 54 5.595 0.097 1.951 425 HB2 PHE 54 HB2 PHE 54 6.852 2.866 1.622 426 HB3 PHE 54 HB1 PHE 54 6.032 1.997 0.332 427 HD1 PHE 54 HD2 PHE 54 3.543 1.299 0.788 428 HD2 PHE 54 HD1 PHE 54 5.603 4.332 2.977 429 HE1 PHE 54 HE2 PHE 54 1.390 2.275 1.479 430 HE2 PHE 54 HE1 PHE 54 3.454 5.289 3.651 431 HZ PHE 54 HZ PHE 54 1.349 4.274 2.909 432 H ALA 55 HN ALA 55 6.608 -1.186 0.554 433 HA ALA 55 HA ALA 55 9.524 -1.185 0.246 434 HB1 ALA 55 HB1 ALA 55 7.398 -3.046 -0.916 435 HB2 ALA 55 HB2 ALA 55 8.392 -3.375 0.503 436 HB3 ALA 55 HB3 ALA 55 9.144 -3.247 -1.085 437 H LEU 56 HN LEU 56 10.512 -0.577 -1.714 438 HA LEU 56 HA LEU 56 9.368 1.402 -3.294 439 HB2 LEU 56 HB2 LEU 56 11.829 0.950 -2.931 440 HB3 LEU 56 HB1 LEU 56 11.721 -0.387 -4.051 441 HG LEU 56 HG LEU 56 12.736 1.840 -4.899 442 HD11 LEU 56 HD11 LEU 56 10.528 0.615 -6.562 443 HD12 LEU 56 HD12 LEU 56 12.192 0.039 -6.442 444 HD13 LEU 56 HD13 LEU 56 11.859 1.612 -7.162 445 HD21 LEU 56 HD21 LEU 56 9.824 2.678 -5.057 446 HD22 LEU 56 HD22 LEU 56 11.213 3.559 -5.703 447 HD23 LEU 56 HD23 LEU 56 11.040 3.349 -3.963 448 H GLY 57 HN GLY 57 9.521 -2.083 -3.823 449 HA2 GLY 57 HA2 GLY 57 8.519 -2.265 -6.448 450 HA3 GLY 57 HA1 GLY 57 8.366 -3.504 -5.210 451 H GLU 58 HN GLU 58 6.815 -2.103 -3.312 452 HA GLU 58 HA GLU 58 4.151 -2.344 -4.271 453 HB2 GLU 58 HB2 GLU 58 5.128 -0.936 -1.741 454 HB3 GLU 58 HB1 GLU 58 3.439 -1.315 -2.103 455 HG2 GLU 58 HG2 GLU 58 4.035 -3.733 -2.126 456 HG3 GLU 58 HG1 GLU 58 5.682 -3.312 -1.653 457 H LEU 59 HN LEU 59 6.305 0.439 -3.839 458 HA LEU 59 HA LEU 59 4.392 2.485 -4.318 459 HB2 LEU 59 HB2 LEU 59 7.409 2.555 -4.706 460 HB3 LEU 59 HB1 LEU 59 6.358 3.965 -4.655 461 HG LEU 59 HG LEU 59 6.884 2.049 -2.341 462 HD11 LEU 59 HD11 LEU 59 8.023 3.937 -1.268 463 HD12 LEU 59 HD12 LEU 59 7.760 4.933 -2.701 464 HD13 LEU 59 HD13 LEU 59 8.799 3.509 -2.793 465 HD21 LEU 59 HD21 LEU 59 5.552 3.604 -0.960 466 HD22 LEU 59 HD22 LEU 59 4.582 2.866 -2.230 467 HD23 LEU 59 HD23 LEU 59 5.135 4.534 -2.402 468 H GLN 60 HN GLN 60 6.521 0.639 -6.480 469 HA GLN 60 HA GLN 60 5.809 1.944 -8.919 470 HB2 GLN 60 HB2 GLN 60 6.697 -0.944 -8.544 471 HB3 GLN 60 HB1 GLN 60 6.749 -0.029 -10.048 472 HG2 GLN 60 HG2 GLN 60 8.373 0.591 -7.563 473 HG3 GLN 60 HG1 GLN 60 8.961 -0.298 -8.962 474 HE21 GLN 60 HE21 GLN 60 10.628 1.162 -9.339 475 HE22 GLN 60 HE22 GLN 60 10.357 2.756 -9.951 476 H LYS 61 HN LYS 61 4.170 -0.426 -6.965 477 HA LYS 61 HA LYS 61 2.172 -1.105 -8.984 478 HB2 LYS 61 HB2 LYS 61 2.617 -1.913 -6.089 479 HB3 LYS 61 HB1 LYS 61 1.105 -2.300 -6.908 480 HG2 LYS 61 HG2 LYS 61 3.863 -3.176 -7.841 481 HG3 LYS 61 HG1 LYS 61 2.724 -4.179 -6.929 482 HD2 LYS 61 HD2 LYS 61 1.077 -3.973 -8.785 483 HD3 LYS 61 HD1 LYS 61 2.231 -2.992 -9.695 484 HE2 LYS 61 HE2 LYS 61 3.781 -4.939 -9.759 485 HE3 LYS 61 HE1 LYS 61 2.577 -5.903 -8.891 486 HZ1 LYS 61 HZ1 LYS 61 2.174 -4.636 -11.551 487 HZ2 LYS 61 HZ2 LYS 61 1.044 -5.580 -10.719 488 HZ3 LYS 61 HZ3 LYS 61 2.479 -6.275 -11.275 489 H LEU 62 HN LEU 62 2.662 1.588 -7.082 490 HA LEU 62 HA LEU 62 -0.226 2.158 -6.723 491 HB2 LEU 62 HB2 LEU 62 2.130 3.786 -5.665 492 HB3 LEU 62 HB1 LEU 62 0.436 3.947 -5.220 493 HG LEU 62 HG LEU 62 2.287 1.647 -4.511 494 HD11 LEU 62 HD11 LEU 62 1.945 2.344 -2.180 495 HD12 LEU 62 HD12 LEU 62 0.982 3.718 -2.732 496 HD13 LEU 62 HD13 LEU 62 2.693 3.611 -3.151 497 HD21 LEU 62 HD21 LEU 62 0.421 0.669 -3.231 498 HD22 LEU 62 HD22 LEU 62 0.075 0.727 -4.955 499 HD23 LEU 62 HD23 LEU 62 -0.664 1.904 -3.872 500 H LYS 63 HN LYS 63 -1.109 3.187 -8.454 501 HA LYS 63 HA LYS 63 0.521 5.052 -10.069 502 HB2 LYS 63 HB2 LYS 63 -0.750 3.097 -11.148 503 HB3 LYS 63 HB1 LYS 63 -2.249 3.922 -10.720 504 HG2 LYS 63 HG2 LYS 63 -0.123 5.287 -12.399 505 HG3 LYS 63 HG1 LYS 63 -1.262 4.168 -13.141 506 HD2 LYS 63 HD2 LYS 63 -3.151 5.583 -12.508 507 HD3 LYS 63 HD1 LYS 63 -2.099 6.643 -11.573 508 HE2 LYS 63 HE2 LYS 63 -2.637 7.701 -13.695 509 HE3 LYS 63 HE1 LYS 63 -0.922 7.299 -13.660 510 HZ1 LYS 63 HZ1 LYS 63 -3.057 5.815 -15.071 511 HZ2 LYS 63 HZ2 LYS 63 -1.445 5.313 -14.967 512 HZ3 LYS 63 HZ3 LYS 63 -1.833 6.750 -15.769 513 H ASN 64 HN ASN 64 -2.168 4.874 -7.883 514 HA ASN 64 HA ASN 64 -2.523 7.799 -8.019 515 HB2 ASN 64 HB2 ASN 64 -4.829 5.787 -7.717 516 HB3 ASN 64 HB1 ASN 64 -4.974 7.544 -7.733 517 HD21 ASN 64 HD21 ASN 64 -4.559 4.697 -9.666 518 HD22 ASN 64 HD22 ASN 64 -4.785 5.464 -11.200 519 H VAL 65 HN VAL 65 -3.622 8.649 -6.163 520 HA VAL 65 HA VAL 65 -2.692 7.969 -3.624 521 HB VAL 65 HB VAL 65 -5.198 9.576 -4.343 522 HG11 VAL 65 HG11 VAL 65 -5.180 8.936 -1.958 523 HG12 VAL 65 HG12 VAL 65 -4.909 10.668 -2.133 524 HG13 VAL 65 HG13 VAL 65 -3.553 9.598 -1.778 525 HG21 VAL 65 HG21 VAL 65 -3.188 10.479 -5.460 526 HG22 VAL 65 HG22 VAL 65 -2.339 10.541 -3.912 527 HG23 VAL 65 HG23 VAL 65 -3.743 11.575 -4.187 528 H GLY 66 HN GLY 66 -5.529 6.913 -5.439 529 HA2 GLY 66 HA2 GLY 66 -6.985 5.669 -3.330 530 HA3 GLY 66 HA1 GLY 66 -7.142 5.325 -5.047 531 H ASP 67 HN ASP 67 -4.525 4.480 -5.605 532 HA ASP 67 HA ASP 67 -4.393 1.795 -4.690 533 HB2 ASP 67 HB2 ASP 67 -2.204 3.509 -5.974 534 HB3 ASP 67 HB1 ASP 67 -2.113 1.762 -5.749 535 H LEU 68 HN LEU 68 -2.526 4.719 -3.871 536 HA LEU 68 HA LEU 68 -0.813 3.646 -1.930 537 HB2 LEU 68 HB2 LEU 68 -0.401 5.801 -2.969 538 HB3 LEU 68 HB1 LEU 68 -1.906 6.450 -2.352 539 HG LEU 68 HG LEU 68 -0.979 6.365 -0.026 540 HD11 LEU 68 HD11 LEU 68 1.621 5.527 -1.354 541 HD12 LEU 68 HD12 LEU 68 0.638 4.535 -0.271 542 HD13 LEU 68 HD13 LEU 68 1.421 5.991 0.339 543 HD21 LEU 68 HD21 LEU 68 0.562 8.261 -0.268 544 HD22 LEU 68 HD22 LEU 68 -0.832 8.441 -1.330 545 HD23 LEU 68 HD23 LEU 68 0.723 7.930 -1.997 546 H ALA 69 HN ALA 69 -4.086 4.832 -1.725 547 HA ALA 69 HA ALA 69 -4.359 5.058 1.094 548 HB1 ALA 69 HB1 ALA 69 -6.744 5.336 0.596 549 HB2 ALA 69 HB2 ALA 69 -6.495 4.748 -1.046 550 HB3 ALA 69 HB3 ALA 69 -5.773 6.271 -0.534 551 H ASP 70 HN ASP 70 -5.305 2.678 -1.298 552 HA ASP 70 HA ASP 70 -6.350 0.642 0.303 553 HB2 ASP 70 HB2 ASP 70 -6.546 0.640 -2.165 554 HB3 ASP 70 HB1 ASP 70 -4.804 0.459 -2.324 555 H LEU 71 HN LEU 71 -3.018 1.422 -0.592 556 HA LEU 71 HA LEU 71 -1.838 -0.969 0.425 557 HB2 LEU 71 HB2 LEU 71 -0.990 0.855 -1.360 558 HB3 LEU 71 HB1 LEU 71 -0.205 1.549 0.039 559 HG LEU 71 HG LEU 71 1.338 0.139 -1.274 560 HD11 LEU 71 HD11 LEU 71 2.268 -1.249 0.479 561 HD12 LEU 71 HD12 LEU 71 0.760 -1.146 1.393 562 HD13 LEU 71 HD13 LEU 71 1.730 0.298 1.121 563 HD21 LEU 71 HD21 LEU 71 -0.258 -1.440 -2.240 564 HD22 LEU 71 HD22 LEU 71 -0.491 -2.201 -0.662 565 HD23 LEU 71 HD23 LEU 71 1.082 -2.284 -1.464 566 H VAL 72 HN VAL 72 -2.101 2.376 1.740 567 HA VAL 72 HA VAL 72 -0.862 2.008 4.226 568 HB VAL 72 HB VAL 72 -3.224 3.825 3.510 569 HG11 VAL 72 HG11 VAL 72 -2.623 5.173 5.519 570 HG12 VAL 72 HG12 VAL 72 -1.417 3.963 5.966 571 HG13 VAL 72 HG13 VAL 72 -3.130 3.540 5.965 572 HG21 VAL 72 HG21 VAL 72 -1.161 4.283 2.206 573 HG22 VAL 72 HG22 VAL 72 -0.255 4.492 3.704 574 HG23 VAL 72 HG23 VAL 72 -1.553 5.615 3.293 575 H ASP 73 HN ASP 73 -4.173 1.390 3.169 576 HA ASP 73 HA ASP 73 -5.356 0.618 5.615 577 HB2 ASP 73 HB2 ASP 73 -6.670 1.238 3.637 578 HB3 ASP 73 HB1 ASP 73 -6.022 -0.121 2.732 579 H LYS 74 HN LYS 74 -3.560 -1.172 3.188 580 HA LYS 74 HA LYS 74 -3.914 -3.811 4.242 581 HB2 LYS 74 HB2 LYS 74 -1.626 -2.772 2.500 582 HB3 LYS 74 HB1 LYS 74 -1.952 -4.473 2.844 583 HG2 LYS 74 HG2 LYS 74 -3.774 -2.575 1.343 584 HG3 LYS 74 HG1 LYS 74 -2.773 -3.833 0.625 585 HD2 LYS 74 HD2 LYS 74 -4.161 -5.568 1.421 586 HD3 LYS 74 HD1 LYS 74 -4.854 -4.576 2.702 587 HE2 LYS 74 HE2 LYS 74 -5.408 -4.178 -0.260 588 HE3 LYS 74 HE1 LYS 74 -6.463 -5.040 0.864 589 HZ1 LYS 74 HZ1 LYS 74 -6.740 -3.027 2.136 590 HZ2 LYS 74 HZ2 LYS 74 -7.138 -2.726 0.517 591 HZ3 LYS 74 HZ3 LYS 74 -5.658 -2.198 1.136 592 H LYS 75 HN LYS 75 -1.518 -1.259 4.804 593 HA LYS 75 HA LYS 75 0.252 -2.759 6.452 594 HB2 LYS 75 HB2 LYS 75 -0.194 0.250 6.240 595 HB3 LYS 75 HB1 LYS 75 1.147 -0.504 7.098 596 HG2 LYS 75 HG2 LYS 75 0.617 -0.680 4.118 597 HG3 LYS 75 HG1 LYS 75 1.834 0.333 4.900 598 HD2 LYS 75 HD2 LYS 75 3.043 -1.647 5.679 599 HD3 LYS 75 HD1 LYS 75 1.785 -2.711 5.036 600 HE2 LYS 75 HE2 LYS 75 2.315 -1.900 2.746 601 HE3 LYS 75 HE1 LYS 75 3.603 -0.897 3.414 602 HZ1 LYS 75 HZ1 LYS 75 4.709 -2.885 4.169 603 HZ2 LYS 75 HZ2 LYS 75 4.421 -2.960 2.505 604 HZ3 LYS 75 HZ3 LYS 75 3.457 -3.850 3.566 605 H LEU 76 HN LEU 76 -2.475 -0.593 7.116 606 HA LEU 76 HA LEU 76 -2.318 -0.660 9.950 607 HB2 LEU 76 HB2 LEU 76 -4.681 -0.007 8.152 608 HB3 LEU 76 HB1 LEU 76 -4.626 0.285 9.887 609 HG LEU 76 HG LEU 76 -2.859 1.634 7.797 610 HD11 LEU 76 HD11 LEU 76 -5.144 2.777 9.428 611 HD12 LEU 76 HD12 LEU 76 -5.166 2.425 7.697 612 HD13 LEU 76 HD13 LEU 76 -4.099 3.680 8.324 613 HD21 LEU 76 HD21 LEU 76 -2.949 2.119 10.801 614 HD22 LEU 76 HD22 LEU 76 -2.028 3.064 9.626 615 HD23 LEU 76 HD23 LEU 76 -1.623 1.374 9.904 616 H ALA 77 HN ALA 77 -3.868 -2.728 7.548 617 HA ALA 77 HA ALA 77 -5.363 -4.399 9.288 618 HB1 ALA 77 HB1 ALA 77 -5.660 -4.397 6.840 619 HB2 ALA 77 HB2 ALA 77 -5.316 -6.026 7.426 620 HB3 ALA 77 HB3 ALA 77 -4.049 -5.086 6.630 621 H ARG 78 HN ARG 78 -1.982 -4.479 8.198 622 HA ARG 78 HA ARG 78 -1.318 -6.915 9.589 623 HB2 ARG 78 HB2 ARG 78 0.656 -4.850 8.541 624 HB3 ARG 78 HB1 ARG 78 0.980 -6.540 8.918 625 HG2 ARG 78 HG2 ARG 78 -0.582 -5.412 6.588 626 HG3 ARG 78 HG1 ARG 78 0.906 -6.350 6.542 627 HD2 ARG 78 HD2 ARG 78 -1.811 -7.410 7.412 628 HD3 ARG 78 HD1 ARG 78 -1.092 -7.643 5.817 629 HE ARG 78 HE ARG 78 0.734 -8.619 7.689 630 HH11 ARG 78 HH11 ARG 78 -2.525 -9.440 6.615 631 HH12 ARG 78 HH12 ARG 78 -2.352 -11.119 7.014 632 HH21 ARG 78 HH21 ARG 78 0.924 -10.819 8.194 633 HH22 ARG 78 HH22 ARG 78 -0.404 -11.897 7.902 634 H LYS 79 HN LYS 79 -1.564 -3.601 10.511 635 HA LYS 79 HA LYS 79 0.021 -3.734 12.897 636 HB2 LYS 79 HB2 LYS 79 -2.062 -1.815 11.834 637 HB3 LYS 79 HB1 LYS 79 -1.532 -1.673 13.503 638 HG2 LYS 79 HG2 LYS 79 0.380 -1.600 11.137 639 HG3 LYS 79 HG1 LYS 79 -0.332 -0.159 11.877 640 HD2 LYS 79 HD2 LYS 79 0.718 -0.701 14.031 641 HD3 LYS 79 HD1 LYS 79 1.370 -2.203 13.366 642 HE2 LYS 79 HE2 LYS 79 2.105 0.582 12.393 643 HE3 LYS 79 HE1 LYS 79 3.049 -0.367 13.539 644 HZ1 LYS 79 HZ1 LYS 79 2.488 -1.045 10.715 645 HZ2 LYS 79 HZ2 LYS 79 3.234 -2.104 11.801 646 HZ3 LYS 79 HZ3 LYS 79 3.982 -0.641 11.393 647 H LEU 80 HN LEU 80 -3.286 -4.605 12.070 648 HA LEU 80 HA LEU 80 -3.946 -5.211 14.872 649 HB2 LEU 80 HB2 LEU 80 -5.570 -5.125 12.314 650 HB3 LEU 80 HB1 LEU 80 -6.190 -5.978 13.714 651 HG LEU 80 HG LEU 80 -7.173 -3.753 13.621 652 HD11 LEU 80 HD11 LEU 80 -6.649 -2.910 15.854 653 HD12 LEU 80 HD12 LEU 80 -5.185 -3.898 15.900 654 HD13 LEU 80 HD13 LEU 80 -6.772 -4.670 15.846 655 HD21 LEU 80 HD21 LEU 80 -5.893 -1.688 13.801 656 HD22 LEU 80 HD22 LEU 80 -5.450 -2.577 12.346 657 HD23 LEU 80 HD23 LEU 80 -4.377 -2.595 13.747 658 H GLU 81 HN GLU 81 -1.994 -6.755 12.885 659 HA GLU 81 HA GLU 81 -2.860 -9.473 13.018 660 HB2 GLU 81 HB2 GLU 81 -0.108 -8.213 12.713 661 HB3 GLU 81 HB1 GLU 81 -0.302 -9.957 12.868 662 HG2 GLU 81 HG2 GLU 81 -1.474 -8.220 10.684 663 HG3 GLU 81 HG1 GLU 81 -0.081 -9.289 10.535 664 H HIS 82 HN HIS 82 -0.859 -7.457 15.192 665 HA HIS 82 HA HIS 82 -0.622 -9.500 17.200 666 HB2 HIS 82 HB2 HIS 82 0.249 -7.651 18.686 667 HB3 HIS 82 HB1 HIS 82 1.130 -7.869 17.185 668 HD1 HIS 82 HD1 HIS 82 -1.478 -5.497 18.669 669 HD2 HIS 82 HD2 HIS 82 1.526 -5.538 15.796 670 HE1 HIS 82 HE1 HIS 82 -1.196 -3.111 17.958 671 HE2 HIS 82 HE2 HIS 82 0.618 -3.158 16.215 672 H HIS 83 HN HIS 83 -2.525 -10.279 17.836 673 HA HIS 83 HA HIS 83 -4.869 -8.659 18.308 674 HB2 HIS 83 HB2 HIS 83 -4.368 -11.631 18.725 675 HB3 HIS 83 HB1 HIS 83 -5.938 -10.846 18.896 676 HD1 HIS 83 HD1 HIS 83 -3.957 -12.612 16.485 677 HD2 HIS 83 HD2 HIS 83 -6.736 -9.535 16.328 678 HE1 HIS 83 HE1 HIS 83 -4.742 -12.543 14.103 679 HE2 HIS 83 HE2 HIS 83 -6.534 -10.777 14.073 680 H HIS 84 HN HIS 84 -4.056 -7.303 19.955 681 HA HIS 84 HA HIS 84 -3.707 -8.366 22.659 682 HB2 HIS 84 HB2 HIS 84 -3.767 -5.511 21.565 683 HB3 HIS 84 HB1 HIS 84 -3.593 -5.893 23.274 684 HD1 HIS 84 HD1 HIS 84 -1.257 -5.356 23.841 685 HD2 HIS 84 HD2 HIS 84 -1.530 -7.325 20.195 686 HE1 HIS 84 HE1 HIS 84 1.116 -5.698 23.082 687 HE2 HIS 84 HE2 HIS 84 0.912 -6.726 20.788 688 H HIS 85 HN HIS 85 -5.220 -8.113 24.290 689 HA HIS 85 HA HIS 85 -8.002 -7.925 23.561 690 HB2 HIS 85 HB2 HIS 85 -6.769 -7.989 26.363 691 HB3 HIS 85 HB1 HIS 85 -8.460 -8.278 25.963 692 HD1 HIS 85 HD1 HIS 85 -7.009 -10.381 27.542 693 HD2 HIS 85 HD2 HIS 85 -7.110 -10.395 23.383 694 HE1 HIS 85 HE1 HIS 85 -6.543 -12.753 26.864 695 HE2 HIS 85 HE2 HIS 85 -6.629 -12.747 24.347 696 H HIS 86 HN HIS 86 -9.091 -6.064 23.352 697 HA HIS 86 HA HIS 86 -7.969 -3.489 23.955 698 HB2 HIS 86 HB2 HIS 86 -10.736 -4.301 22.955 699 HB3 HIS 86 HB1 HIS 86 -10.208 -2.628 23.121 700 HD1 HIS 86 HD1 HIS 86 -9.651 -1.724 20.875 701 HD2 HIS 86 HD2 HIS 86 -8.547 -5.721 21.213 702 HE1 HIS 86 HE1 HIS 86 -8.643 -2.331 18.660 703 HE2 HIS 86 HE2 HIS 86 -7.911 -4.728 18.912 704 H HIS 87 HN HIS 87 -10.008 -5.710 25.661 705 HA HIS 87 HA HIS 87 -9.937 -3.939 28.005 706 HB2 HIS 87 HB2 HIS 87 -12.402 -5.474 27.046 707 HB3 HIS 87 HB1 HIS 87 -12.250 -4.804 28.668 708 HD1 HIS 87 HD1 HIS 87 -11.516 -2.057 28.491 709 HD2 HIS 87 HD2 HIS 87 -13.821 -3.732 25.461 710 HE1 HIS 87 HE1 HIS 87 -12.568 -0.117 27.300 711 HE2 HIS 87 HE2 HIS 87 -14.118 -1.164 25.629 712 H282 PNS 88 H282 PNS 88 8.661 9.250 -9.710 713 H281 PNS 88 H281 PNS 88 8.147 10.608 -8.701 714 H303 PNS 88 H303 PNS 88 5.797 11.433 -8.750 715 H302 PNS 88 H302 PNS 88 5.900 11.761 -10.483 716 H301 PNS 88 H301 PNS 88 4.607 10.726 -9.861 717 H313 PNS 88 H313 PNS 88 6.288 9.046 -7.876 718 H312 PNS 88 H312 PNS 88 5.030 8.507 -9.000 719 H311 PNS 88 H311 PNS 88 6.642 7.769 -9.031 720 H32 PNS 88 H32 PNS 88 6.913 9.951 -12.093 721 H33 PNS 88 H33 PNS 88 7.261 7.761 -12.488 722 H36 PNS 88 H36 PNS 88 4.859 7.459 -10.625 723 H372 PNS 88 H372 PNS 88 2.370 8.436 -11.617 724 H371 PNS 88 H371 PNS 88 2.998 7.112 -12.615 725 H382 PNS 88 H382 PNS 88 1.505 6.271 -10.867 726 H381 PNS 88 H381 PNS 88 3.146 5.668 -10.652 727 H41 PNS 88 H41 PNS 88 1.030 8.338 -9.620 728 H422 PNS 88 H422 PNS 88 2.468 8.676 -7.063 729 H421 PNS 88 H421 PNS 88 1.226 9.741 -7.721 730 H431 PNS 88 H431 PNS 88 0.417 6.959 -6.972 731 H432 PNS 88 H432 PNS 88 -0.511 8.450 -6.933 732 H44 PNS 88 H44 PNS 88 1.887 8.805 -4.769 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -13.220 2.102 7.931 2 H2 MET 1 HT2 MET 1 -13.285 3.586 7.121 3 H3 MET 1 HT3 MET 1 -12.605 3.497 8.664 4 HA MET 1 HA MET 1 -10.824 2.150 7.887 5 HB2 MET 1 HB2 MET 1 -12.157 2.463 5.160 6 HB3 MET 1 HB1 MET 1 -10.570 1.741 5.422 7 HG2 MET 1 HG2 MET 1 -11.532 -0.100 6.640 8 HG3 MET 1 HG1 MET 1 -13.126 0.656 6.636 9 HE1 MET 1 HE1 MET 1 -10.328 -1.036 4.462 10 HE2 MET 1 HE2 MET 1 -10.551 0.478 3.584 11 HE3 MET 1 HE3 MET 1 -11.067 -1.048 2.862 12 HA PRO 2 HA PRO 2 -9.212 6.320 7.357 13 HB2 PRO 2 HB2 PRO 2 -6.709 5.898 8.202 14 HB3 PRO 2 HB1 PRO 2 -8.071 5.610 9.295 15 HG2 PRO 2 HG2 PRO 2 -6.418 3.628 7.754 16 HG3 PRO 2 HG1 PRO 2 -7.037 3.517 9.414 17 HD2 PRO 2 HD2 PRO 2 -8.229 2.385 7.114 18 HD3 PRO 2 HD1 PRO 2 -9.017 2.594 8.693 19 H THR 3 HN THR 3 -9.544 4.981 4.885 20 HA THR 3 HA THR 3 -7.110 4.609 3.442 21 HB THR 3 HB THR 3 -8.740 4.475 1.440 22 HG1 THR 3 HG1 THR 3 -10.889 4.074 3.090 23 HG21 THR 3 HG21 THR 3 -7.892 2.476 2.633 24 HG22 THR 3 HG22 THR 3 -9.565 2.256 2.096 25 HG23 THR 3 HG23 THR 3 -9.227 2.612 3.791 26 H LEU 4 HN LEU 4 -9.719 6.859 2.376 27 HA LEU 4 HA LEU 4 -7.749 8.799 1.436 28 HB2 LEU 4 HB2 LEU 4 -10.794 8.960 1.507 29 HB3 LEU 4 HB1 LEU 4 -9.747 10.159 0.765 30 HG LEU 4 HG LEU 4 -10.117 7.281 -0.171 31 HD11 LEU 4 HD11 LEU 4 -10.991 9.889 -1.466 32 HD12 LEU 4 HD12 LEU 4 -12.043 8.714 -0.673 33 HD13 LEU 4 HD13 LEU 4 -11.187 8.268 -2.144 34 HD21 LEU 4 HD21 LEU 4 -8.356 9.463 -1.366 35 HD22 LEU 4 HD22 LEU 4 -8.682 7.887 -2.096 36 HD23 LEU 4 HD23 LEU 4 -7.803 7.982 -0.574 37 H ASP 5 HN ASP 5 -9.788 8.230 4.168 38 HA ASP 5 HA ASP 5 -10.261 10.694 5.336 39 HB2 ASP 5 HB2 ASP 5 -11.293 8.611 6.123 40 HB3 ASP 5 HB1 ASP 5 -9.737 7.985 6.643 41 H ALA 6 HN ALA 6 -7.605 8.489 6.197 42 HA ALA 6 HA ALA 6 -6.377 10.405 7.963 43 HB1 ALA 6 HB1 ALA 6 -4.760 8.620 8.407 44 HB2 ALA 6 HB2 ALA 6 -5.414 7.673 7.067 45 HB3 ALA 6 HB3 ALA 6 -6.414 8.009 8.482 46 H LEU 7 HN LEU 7 -5.889 9.417 4.625 47 HA LEU 7 HA LEU 7 -3.202 10.320 4.319 48 HB2 LEU 7 HB2 LEU 7 -5.410 9.828 2.284 49 HB3 LEU 7 HB1 LEU 7 -3.811 10.379 1.813 50 HG LEU 7 HG LEU 7 -4.467 7.721 3.148 51 HD11 LEU 7 HD11 LEU 7 -3.506 8.350 0.333 52 HD12 LEU 7 HD12 LEU 7 -5.119 7.797 0.792 53 HD13 LEU 7 HD13 LEU 7 -3.732 6.735 1.011 54 HD21 LEU 7 HD21 LEU 7 -1.765 8.827 2.311 55 HD22 LEU 7 HD22 LEU 7 -2.074 7.175 2.853 56 HD23 LEU 7 HD23 LEU 7 -2.310 8.521 3.963 57 H THR 8 HN THR 8 -6.320 12.000 4.190 58 HA THR 8 HA THR 8 -5.587 14.188 2.601 59 HB THR 8 HB THR 8 -7.676 14.230 4.818 60 HG1 THR 8 HG1 THR 8 -7.645 12.613 2.874 61 HG21 THR 8 HG21 THR 8 -7.195 16.500 3.938 62 HG22 THR 8 HG22 THR 8 -8.791 15.957 3.424 63 HG23 THR 8 HG23 THR 8 -7.443 15.921 2.285 64 HA PRO 9 HA PRO 9 -4.222 16.594 6.845 65 HB2 PRO 9 HB2 PRO 9 -3.305 14.087 8.280 66 HB3 PRO 9 HB1 PRO 9 -3.913 15.608 8.958 67 HG2 PRO 9 HG2 PRO 9 -5.488 13.466 8.864 68 HG3 PRO 9 HG1 PRO 9 -6.148 15.071 8.477 69 HD2 PRO 9 HD2 PRO 9 -5.366 12.841 6.610 70 HD3 PRO 9 HD1 PRO 9 -6.746 13.950 6.513 71 H ILE 10 HN ILE 10 -2.688 13.541 5.782 72 HA ILE 10 HA ILE 10 0.014 14.269 6.230 73 HB ILE 10 HB ILE 10 -1.039 12.260 4.179 74 HG12 ILE 10 HG12 ILE 10 -1.848 11.717 6.466 75 HG13 ILE 10 HG11 ILE 10 -0.692 10.514 5.906 76 HG21 ILE 10 HG21 ILE 10 1.753 12.522 5.380 77 HG22 ILE 10 HG22 ILE 10 1.289 12.838 3.707 78 HG23 ILE 10 HG23 ILE 10 1.215 11.200 4.347 79 HD11 ILE 10 HD11 ILE 10 -0.353 11.036 8.227 80 HD12 ILE 10 HD12 ILE 10 -0.135 12.745 7.859 81 HD13 ILE 10 HD13 ILE 10 1.045 11.554 7.295 82 H PHE 11 HN PHE 11 -1.938 14.249 3.244 83 HA PHE 11 HA PHE 11 0.096 15.219 1.515 84 HB2 PHE 11 HB2 PHE 11 -2.924 15.004 1.223 85 HB3 PHE 11 HB1 PHE 11 -1.903 15.635 -0.062 86 HD1 PHE 11 HD2 PHE 11 -1.590 12.639 2.229 87 HD2 PHE 11 HD1 PHE 11 -1.783 14.073 -1.790 88 HE1 PHE 11 HE2 PHE 11 -1.292 10.350 1.395 89 HE2 PHE 11 HE1 PHE 11 -1.492 11.780 -2.607 90 HZ PHE 11 HZ PHE 11 -1.248 9.916 -1.027 91 H ARG 12 HN ARG 12 -2.677 16.815 3.143 92 HA ARG 12 HA ARG 12 -2.298 19.403 2.114 93 HB2 ARG 12 HB2 ARG 12 -3.579 18.484 4.711 94 HB3 ARG 12 HB1 ARG 12 -3.546 20.179 4.229 95 HG2 ARG 12 HG2 ARG 12 -4.757 19.535 2.114 96 HG3 ARG 12 HG1 ARG 12 -4.911 17.897 2.761 97 HD2 ARG 12 HD2 ARG 12 -6.186 18.823 4.701 98 HD3 ARG 12 HD1 ARG 12 -6.079 20.436 3.977 99 HE ARG 12 HE ARG 12 -7.166 18.497 2.192 100 HH11 ARG 12 HH11 ARG 12 -8.098 20.615 4.806 101 HH12 ARG 12 HH12 ARG 12 -9.764 20.644 4.337 102 HH21 ARG 12 HH21 ARG 12 -9.316 18.546 1.579 103 HH22 ARG 12 HH22 ARG 12 -10.459 19.458 2.513 104 H GLN 13 HN GLN 13 -0.677 17.772 4.833 105 HA GLN 13 HA GLN 13 0.631 20.145 5.775 106 HB2 GLN 13 HB2 GLN 13 0.214 18.247 7.283 107 HB3 GLN 13 HB1 GLN 13 1.239 17.209 6.303 108 HG2 GLN 13 HG2 GLN 13 2.383 17.932 8.351 109 HG3 GLN 13 HG1 GLN 13 3.212 18.523 6.913 110 HE21 GLN 13 HE21 GLN 13 1.158 19.440 9.621 111 HE22 GLN 13 HE22 GLN 13 1.510 21.132 9.566 112 H VAL 14 HN VAL 14 1.816 17.258 3.989 113 HA VAL 14 HA VAL 14 4.466 18.007 3.612 114 HB VAL 14 HB VAL 14 2.733 16.275 1.779 115 HG11 VAL 14 HG11 VAL 14 4.873 15.309 0.923 116 HG12 VAL 14 HG12 VAL 14 5.772 16.525 1.834 117 HG13 VAL 14 HG13 VAL 14 4.704 17.020 0.518 118 HG21 VAL 14 HG21 VAL 14 4.660 15.465 4.000 119 HG22 VAL 14 HG22 VAL 14 3.765 14.354 2.958 120 HG23 VAL 14 HG23 VAL 14 2.897 15.398 4.084 121 H PHE 15 HN PHE 15 1.698 18.594 1.439 122 HA PHE 15 HA PHE 15 3.295 20.149 -0.433 123 HB2 PHE 15 HB2 PHE 15 0.305 19.562 -0.407 124 HB3 PHE 15 HB1 PHE 15 1.168 20.368 -1.717 125 HD1 PHE 15 HD1 PHE 15 3.321 19.002 -2.598 126 HD2 PHE 15 HD2 PHE 15 -0.073 17.243 -0.678 127 HE1 PHE 15 HE1 PHE 15 3.864 16.825 -3.606 128 HE2 PHE 15 HE2 PHE 15 0.483 15.077 -1.686 129 HZ PHE 15 HZ PHE 15 2.452 14.867 -3.144 130 H ASP 16 HN ASP 16 1.399 20.770 2.375 131 HA ASP 16 HA ASP 16 0.801 22.589 3.546 132 HB2 ASP 16 HB2 ASP 16 3.143 23.299 3.353 133 HB3 ASP 16 HB1 ASP 16 2.829 24.028 1.784 134 H ASP 17 HN ASP 17 -1.310 22.464 2.853 135 HA ASP 17 HA ASP 17 -2.405 24.455 1.099 136 HB2 ASP 17 HB2 ASP 17 -1.359 22.724 -0.496 137 HB3 ASP 17 HB1 ASP 17 -2.527 21.558 0.106 138 H ASP 18 HN ASP 18 -4.839 23.800 0.695 139 HA ASP 18 HA ASP 18 -6.042 22.451 3.020 140 HB2 ASP 18 HB2 ASP 18 -6.657 25.336 2.239 141 HB3 ASP 18 HB1 ASP 18 -7.615 24.399 3.381 142 H SER 19 HN SER 19 -6.122 23.456 -0.252 143 HA SER 19 HA SER 19 -8.903 22.816 -0.791 144 HB2 SER 19 HB2 SER 19 -6.609 23.494 -2.690 145 HB3 SER 19 HB1 SER 19 -8.321 23.419 -3.125 146 HG SER 19 HG SER 19 -7.351 25.111 -1.076 147 H ILE 20 HN ILE 20 -6.011 20.975 -0.509 148 HA ILE 20 HA ILE 20 -6.427 18.931 -2.416 149 HB ILE 20 HB ILE 20 -5.054 18.804 0.303 150 HG12 ILE 20 HG12 ILE 20 -3.889 18.993 -2.512 151 HG13 ILE 20 HG11 ILE 20 -3.960 20.308 -1.346 152 HG21 ILE 20 HG21 ILE 20 -4.002 16.669 -0.422 153 HG22 ILE 20 HG22 ILE 20 -5.019 16.666 -1.862 154 HG23 ILE 20 HG23 ILE 20 -5.753 16.526 -0.265 155 HD11 ILE 20 HD11 ILE 20 -2.349 17.770 -1.073 156 HD12 ILE 20 HD12 ILE 20 -2.417 19.073 0.115 157 HD13 ILE 20 HD13 ILE 20 -1.735 19.370 -1.482 158 H VAL 21 HN VAL 21 -8.352 17.955 -2.620 159 HA VAL 21 HA VAL 21 -9.638 16.716 -0.258 160 HB VAL 21 HB VAL 21 -11.163 17.813 -2.678 161 HG11 VAL 21 HG11 VAL 21 -13.198 17.367 -1.336 162 HG12 VAL 21 HG12 VAL 21 -12.204 16.701 -0.038 163 HG13 VAL 21 HG13 VAL 21 -12.272 15.888 -1.602 164 HG21 VAL 21 HG21 VAL 21 -10.263 19.696 -1.355 165 HG22 VAL 21 HG22 VAL 21 -10.992 19.034 0.111 166 HG23 VAL 21 HG23 VAL 21 -12.019 19.603 -1.207 167 H LEU 22 HN LEU 22 -8.520 14.865 -0.615 168 HA LEU 22 HA LEU 22 -7.652 13.836 -3.039 169 HB2 LEU 22 HB2 LEU 22 -8.028 12.462 -0.361 170 HB3 LEU 22 HB1 LEU 22 -7.227 11.694 -1.726 171 HG LEU 22 HG LEU 22 -6.266 14.236 -0.343 172 HD11 LEU 22 HD11 LEU 22 -5.158 11.415 -0.191 173 HD12 LEU 22 HD12 LEU 22 -6.000 12.278 1.099 174 HD13 LEU 22 HD13 LEU 22 -4.439 12.861 0.531 175 HD21 LEU 22 HD21 LEU 22 -4.938 12.594 -2.535 176 HD22 LEU 22 HD22 LEU 22 -4.238 13.990 -1.712 177 HD23 LEU 22 HD23 LEU 22 -5.659 14.199 -2.729 178 H THR 23 HN THR 23 -8.362 12.466 -4.459 179 HA THR 23 HA THR 23 -10.836 10.889 -4.053 180 HB THR 23 HB THR 23 -11.207 10.976 -6.509 181 HG1 THR 23 HG1 THR 23 -9.477 13.080 -6.986 182 HG21 THR 23 HG21 THR 23 -10.967 13.783 -5.363 183 HG22 THR 23 HG22 THR 23 -12.353 12.708 -5.168 184 HG23 THR 23 HG23 THR 23 -11.932 13.320 -6.768 185 H ARG 24 HN ARG 24 -10.617 8.931 -5.742 186 HA ARG 24 HA ARG 24 -8.198 7.543 -5.182 187 HB2 ARG 24 HB2 ARG 24 -10.480 6.943 -7.103 188 HB3 ARG 24 HB1 ARG 24 -9.076 5.892 -6.966 189 HG2 ARG 24 HG2 ARG 24 -10.874 4.984 -5.623 190 HG3 ARG 24 HG1 ARG 24 -9.581 5.535 -4.553 191 HD2 ARG 24 HD2 ARG 24 -10.858 7.563 -4.039 192 HD3 ARG 24 HD1 ARG 24 -12.119 7.083 -5.173 193 HE ARG 24 HE ARG 24 -11.537 5.295 -2.937 194 HH11 ARG 24 HH11 ARG 24 -13.714 7.654 -4.343 195 HH12 ARG 24 HH12 ARG 24 -15.005 7.299 -3.238 196 HH21 ARG 24 HH21 ARG 24 -13.238 4.828 -1.502 197 HH22 ARG 24 HH22 ARG 24 -14.735 5.695 -1.632 198 H GLU 25 HN GLU 25 -9.344 9.432 -8.001 199 HA GLU 25 HA GLU 25 -7.177 8.538 -9.720 200 HB2 GLU 25 HB2 GLU 25 -8.217 9.968 -11.410 201 HB3 GLU 25 HB1 GLU 25 -9.426 8.954 -10.631 202 HG2 GLU 25 HG2 GLU 25 -10.172 10.856 -9.266 203 HG3 GLU 25 HG1 GLU 25 -8.938 11.884 -9.998 204 H THR 26 HN THR 26 -7.349 10.883 -7.283 205 HA THR 26 HA THR 26 -5.715 12.955 -8.272 206 HB THR 26 HB THR 26 -5.794 11.832 -5.425 207 HG1 THR 26 HG1 THR 26 -7.531 13.415 -6.874 208 HG21 THR 26 HG21 THR 26 -5.066 14.108 -4.733 209 HG22 THR 26 HG22 THR 26 -4.871 14.559 -6.428 210 HG23 THR 26 HG23 THR 26 -3.845 13.305 -5.724 211 H SER 27 HN SER 27 -3.422 13.165 -8.300 212 HA SER 27 HA SER 27 -1.596 11.062 -7.664 213 HB2 SER 27 HB2 SER 27 -1.028 10.418 -10.007 214 HB3 SER 27 HB1 SER 27 -2.695 9.996 -9.618 215 HG SER 27 HG SER 27 -2.782 10.975 -11.569 216 H ALA 28 HN ALA 28 0.556 11.543 -8.926 217 HA ALA 28 HA ALA 28 1.282 14.288 -8.632 218 HB1 ALA 28 HB1 ALA 28 3.496 13.510 -9.389 219 HB2 ALA 28 HB2 ALA 28 2.795 11.940 -9.798 220 HB3 ALA 28 HB3 ALA 28 2.826 12.482 -8.119 221 H ASN 29 HN ASN 29 -0.208 12.596 -11.183 222 HA ASN 29 HA ASN 29 0.586 14.437 -13.287 223 HB2 ASN 29 HB2 ASN 29 -0.027 12.124 -13.885 224 HB3 ASN 29 HB1 ASN 29 -1.611 12.309 -13.143 225 HD21 ASN 29 HD21 ASN 29 -3.240 13.385 -14.285 226 HD22 ASN 29 HD22 ASN 29 -3.067 13.864 -15.936 227 H ASP 30 HN ASP 30 -2.098 13.851 -11.065 228 HA ASP 30 HA ASP 30 -3.792 16.004 -11.986 229 HB2 ASP 30 HB2 ASP 30 -4.730 13.892 -11.128 230 HB3 ASP 30 HB1 ASP 30 -3.930 14.132 -9.585 231 H ILE 31 HN ILE 31 -1.145 15.738 -9.811 232 HA ILE 31 HA ILE 31 -1.592 18.471 -8.747 233 HB ILE 31 HB ILE 31 -0.088 16.231 -7.282 234 HG12 ILE 31 HG12 ILE 31 -2.807 17.490 -6.653 235 HG13 ILE 31 HG11 ILE 31 -2.524 15.826 -7.142 236 HG21 ILE 31 HG21 ILE 31 -0.694 19.090 -6.406 237 HG22 ILE 31 HG22 ILE 31 0.889 18.470 -6.888 238 HG23 ILE 31 HG23 ILE 31 0.113 17.866 -5.423 239 HD11 ILE 31 HD11 ILE 31 -1.707 17.101 -4.528 240 HD12 ILE 31 HD12 ILE 31 -1.328 15.445 -5.005 241 HD13 ILE 31 HD13 ILE 31 -3.006 15.939 -4.790 242 H ASP 32 HN ASP 32 -0.264 19.732 -9.857 243 HA ASP 32 HA ASP 32 1.748 18.700 -11.606 244 HB2 ASP 32 HB2 ASP 32 0.186 20.724 -12.006 245 HB3 ASP 32 HB1 ASP 32 1.271 21.646 -10.975 246 H ALA 33 HN ALA 33 1.813 20.260 -8.476 247 HA ALA 33 HA ALA 33 4.669 20.814 -8.478 248 HB1 ALA 33 HB1 ALA 33 3.085 22.345 -7.367 249 HB2 ALA 33 HB2 ALA 33 4.270 21.711 -6.226 250 HB3 ALA 33 HB3 ALA 33 2.624 21.069 -6.239 251 H TRP 34 HN TRP 34 2.938 17.978 -8.030 252 HA TRP 34 HA TRP 34 4.501 16.875 -5.832 253 HB2 TRP 34 HB2 TRP 34 2.057 16.319 -6.332 254 HB3 TRP 34 HB1 TRP 34 2.608 15.426 -7.736 255 HD1 TRP 34 HD1 TRP 34 5.145 14.321 -5.487 256 HE1 TRP 34 HE1 TRP 34 4.458 12.204 -4.185 257 HE3 TRP 34 HE3 TRP 34 0.085 14.477 -6.230 258 HZ2 TRP 34 HZ2 TRP 34 2.115 10.803 -3.544 259 HZ3 TRP 34 HZ3 TRP 34 -1.309 12.699 -5.245 260 HH2 TRP 34 HH2 TRP 34 -0.308 10.900 -3.928 261 H ASP 35 HN ASP 35 6.513 17.466 -6.981 262 HA ASP 35 HA ASP 35 7.666 16.236 -9.175 263 HB2 ASP 35 HB2 ASP 35 8.632 18.126 -7.865 264 HB3 ASP 35 HB1 ASP 35 8.958 17.042 -6.525 265 H SER 36 HN SER 36 9.586 14.556 -9.004 266 HA SER 36 HA SER 36 8.466 12.043 -8.361 267 HB2 SER 36 HB2 SER 36 11.439 12.482 -8.801 268 HB3 SER 36 HB1 SER 36 10.423 11.162 -9.378 269 H LEU 37 HN LEU 37 10.980 14.064 -6.872 270 HA LEU 37 HA LEU 37 11.453 12.276 -4.647 271 HB2 LEU 37 HB2 LEU 37 12.524 15.061 -5.258 272 HB3 LEU 37 HB1 LEU 37 12.946 14.171 -3.809 273 HG LEU 37 HG LEU 37 14.771 13.945 -5.332 274 HD11 LEU 37 HD11 LEU 37 13.241 11.331 -5.404 275 HD12 LEU 37 HD12 LEU 37 14.249 11.914 -4.078 276 HD13 LEU 37 HD13 LEU 37 14.982 11.542 -5.635 277 HD21 LEU 37 HD21 LEU 37 14.612 13.079 -7.608 278 HD22 LEU 37 HD22 LEU 37 13.651 14.544 -7.415 279 HD23 LEU 37 HD23 LEU 37 12.854 12.968 -7.465 280 H SER 38 HN SER 38 9.147 14.770 -5.263 281 HA SER 38 HA SER 38 8.538 15.498 -2.571 282 HB2 SER 38 HB2 SER 38 6.713 15.367 -5.011 283 HB3 SER 38 HB1 SER 38 6.278 16.113 -3.469 284 HG SER 38 HG SER 38 7.938 17.599 -3.764 285 H HIS 39 HN HIS 39 7.587 12.787 -4.646 286 HA HIS 39 HA HIS 39 5.899 11.369 -2.957 287 HB2 HIS 39 HB2 HIS 39 8.008 10.288 -4.858 288 HB3 HIS 39 HB1 HIS 39 6.854 9.255 -4.021 289 HD2 HIS 39 HD2 HIS 39 7.012 11.720 -6.988 290 HE1 HIS 39 HE1 HIS 39 3.105 10.148 -6.713 291 HE2 HIS 39 HE2 HIS 39 4.641 11.681 -8.002 292 H MET 40 HN MET 40 9.461 11.539 -2.835 293 HA MET 40 HA MET 40 9.887 9.486 -0.939 294 HB2 MET 40 HB2 MET 40 11.557 11.969 -1.517 295 HB3 MET 40 HB1 MET 40 12.088 10.653 -0.471 296 HG2 MET 40 HG2 MET 40 11.415 10.392 -3.415 297 HG3 MET 40 HG1 MET 40 13.041 10.466 -2.726 298 HE1 MET 40 HE1 MET 40 12.778 8.644 -0.070 299 HE2 MET 40 HE2 MET 40 14.114 8.571 -1.217 300 HE3 MET 40 HE3 MET 40 13.271 7.093 -0.740 301 H ASN 41 HN ASN 41 9.017 12.875 -0.550 302 HA ASN 41 HA ASN 41 9.126 12.996 2.302 303 HB2 ASN 41 HB2 ASN 41 7.499 14.661 0.327 304 HB3 ASN 41 HB1 ASN 41 7.642 15.021 2.045 305 HD21 ASN 41 HD21 ASN 41 9.329 14.966 -1.020 306 HD22 ASN 41 HD22 ASN 41 10.669 15.925 -0.523 307 H LEU 42 HN LEU 42 6.600 12.049 -0.018 308 HA LEU 42 HA LEU 42 4.461 11.679 1.832 309 HB2 LEU 42 HB2 LEU 42 5.031 10.654 -0.965 310 HB3 LEU 42 HB1 LEU 42 3.738 9.897 -0.063 311 HG LEU 42 HG LEU 42 2.963 11.657 -1.664 312 HD11 LEU 42 HD11 LEU 42 1.397 12.741 -0.155 313 HD12 LEU 42 HD12 LEU 42 2.368 12.261 1.240 314 HD13 LEU 42 HD13 LEU 42 1.582 11.034 0.239 315 HD21 LEU 42 HD21 LEU 42 3.292 14.020 -1.138 316 HD22 LEU 42 HD22 LEU 42 4.822 13.215 -1.470 317 HD23 LEU 42 HD23 LEU 42 4.365 13.582 0.195 318 H ILE 43 HN ILE 43 6.830 9.337 0.472 319 HA ILE 43 HA ILE 43 5.969 6.992 1.651 320 HB ILE 43 HB ILE 43 8.667 7.919 0.637 321 HG12 ILE 43 HG12 ILE 43 8.416 5.957 -0.918 322 HG13 ILE 43 HG11 ILE 43 6.875 5.586 -0.162 323 HG21 ILE 43 HG21 ILE 43 9.725 5.711 1.088 324 HG22 ILE 43 HG22 ILE 43 8.327 5.259 2.068 325 HG23 ILE 43 HG23 ILE 43 9.360 6.602 2.565 326 HD11 ILE 43 HD11 ILE 43 6.565 6.663 -2.278 327 HD12 ILE 43 HD12 ILE 43 7.552 8.033 -1.770 328 HD13 ILE 43 HD13 ILE 43 5.995 7.727 -0.995 329 H VAL 44 HN VAL 44 8.509 9.220 2.885 330 HA VAL 44 HA VAL 44 9.017 7.740 5.228 331 HB VAL 44 HB VAL 44 10.299 9.684 6.021 332 HG11 VAL 44 HG11 VAL 44 11.948 9.797 4.181 333 HG12 VAL 44 HG12 VAL 44 10.758 9.117 3.069 334 HG13 VAL 44 HG13 VAL 44 11.359 8.149 4.417 335 HG21 VAL 44 HG21 VAL 44 9.171 11.176 3.623 336 HG22 VAL 44 HG22 VAL 44 10.458 11.769 4.677 337 HG23 VAL 44 HG23 VAL 44 8.833 11.525 5.320 338 H SER 45 HN SER 45 6.777 10.440 4.602 339 HA SER 45 HA SER 45 5.957 10.885 7.285 340 HB2 SER 45 HB2 SER 45 4.501 11.417 4.661 341 HB3 SER 45 HB1 SER 45 3.933 11.979 6.236 342 HG SER 45 HG SER 45 5.746 13.084 4.621 343 H LEU 46 HN LEU 46 4.624 8.753 4.730 344 HA LEU 46 HA LEU 46 2.347 7.910 6.215 345 HB2 LEU 46 HB2 LEU 46 3.727 6.484 3.915 346 HB3 LEU 46 HB1 LEU 46 2.116 6.128 4.516 347 HG LEU 46 HG LEU 46 2.985 8.678 3.079 348 HD11 LEU 46 HD11 LEU 46 2.777 6.763 1.573 349 HD12 LEU 46 HD12 LEU 46 1.505 7.943 1.271 350 HD13 LEU 46 HD13 LEU 46 1.137 6.456 2.151 351 HD21 LEU 46 HD21 LEU 46 0.637 9.374 3.152 352 HD22 LEU 46 HD22 LEU 46 1.314 9.227 4.770 353 HD23 LEU 46 HD23 LEU 46 0.235 7.972 4.152 354 H GLU 47 HN GLU 47 5.587 6.573 5.778 355 HA GLU 47 HA GLU 47 5.324 4.143 7.141 356 HB2 GLU 47 HB2 GLU 47 7.732 5.955 6.719 357 HB3 GLU 47 HB1 GLU 47 7.861 4.354 7.440 358 HG2 GLU 47 HG2 GLU 47 6.720 4.862 4.678 359 HG3 GLU 47 HG1 GLU 47 8.419 4.504 4.979 360 H VAL 48 HN VAL 48 6.471 7.324 8.409 361 HA VAL 48 HA VAL 48 6.885 6.235 11.033 362 HB VAL 48 HB VAL 48 7.564 8.474 11.718 363 HG11 VAL 48 HG11 VAL 48 9.213 7.055 10.592 364 HG12 VAL 48 HG12 VAL 48 9.500 8.750 10.197 365 HG13 VAL 48 HG13 VAL 48 8.719 7.692 9.019 366 HG21 VAL 48 HG21 VAL 48 7.612 10.398 10.148 367 HG22 VAL 48 HG22 VAL 48 5.961 9.882 10.499 368 HG23 VAL 48 HG23 VAL 48 6.712 9.443 8.966 369 H HIS 49 HN HIS 49 4.359 8.360 9.638 370 HA HIS 49 HA HIS 49 3.044 9.004 12.067 371 HB2 HIS 49 HB2 HIS 49 2.137 9.089 9.170 372 HB3 HIS 49 HB1 HIS 49 1.032 9.507 10.466 373 HD1 HIS 49 HD1 HIS 49 0.999 11.891 11.111 374 HD2 HIS 49 HD2 HIS 49 4.520 10.897 9.165 375 HE1 HIS 49 HE1 HIS 49 2.200 14.059 10.760 376 HE2 HIS 49 HE2 HIS 49 4.398 13.411 9.722 377 H TYR 50 HN TYR 50 2.282 6.556 9.583 378 HA TYR 50 HA TYR 50 0.126 5.389 11.165 379 HB2 TYR 50 HB2 TYR 50 1.325 4.526 8.505 380 HB3 TYR 50 HB1 TYR 50 -0.131 3.854 9.226 381 HD1 TYR 50 HD2 TYR 50 1.314 6.927 7.716 382 HD2 TYR 50 HD1 TYR 50 -2.264 4.969 8.956 383 HE1 TYR 50 HE2 TYR 50 -0.005 8.619 6.552 384 HE2 TYR 50 HE1 TYR 50 -3.591 6.671 7.792 385 HH TYR 50 HH TYR 50 -2.229 8.810 5.558 386 H LYS 51 HN LYS 51 3.470 4.960 10.959 387 HA LYS 51 HA LYS 51 4.986 3.544 11.843 388 HB2 LYS 51 HB2 LYS 51 2.598 2.475 13.400 389 HB3 LYS 51 HB1 LYS 51 4.219 1.833 13.609 390 HG2 LYS 51 HG2 LYS 51 3.893 3.352 15.387 391 HG3 LYS 51 HG1 LYS 51 4.970 4.163 14.253 392 HD2 LYS 51 HD2 LYS 51 3.114 5.520 13.414 393 HD3 LYS 51 HD1 LYS 51 1.978 4.647 14.443 394 HE2 LYS 51 HE2 LYS 51 4.262 6.398 15.409 395 HE3 LYS 51 HE1 LYS 51 2.554 6.836 15.409 396 HZ1 LYS 51 HZ1 LYS 51 3.249 6.117 17.593 397 HZ2 LYS 51 HZ2 LYS 51 3.785 4.629 16.987 398 HZ3 LYS 51 HZ3 LYS 51 2.139 5.012 16.959 399 H ILE 52 HN ILE 52 3.737 2.960 9.317 400 HA ILE 52 HA ILE 52 3.341 0.028 9.240 401 HB ILE 52 HB ILE 52 2.439 0.411 6.934 402 HG12 ILE 52 HG12 ILE 52 2.830 3.372 7.580 403 HG13 ILE 52 HG11 ILE 52 3.636 2.469 6.299 404 HG21 ILE 52 HG21 ILE 52 1.084 2.016 9.121 405 HG22 ILE 52 HG22 ILE 52 0.912 0.286 8.821 406 HG23 ILE 52 HG23 ILE 52 0.310 1.443 7.638 407 HD11 ILE 52 HD11 ILE 52 0.686 3.112 6.448 408 HD12 ILE 52 HD12 ILE 52 1.464 2.182 5.161 409 HD13 ILE 52 HD13 ILE 52 1.883 3.878 5.409 410 H LYS 53 HN LYS 53 4.123 -0.885 6.975 411 HA LYS 53 HA LYS 53 6.855 0.033 6.355 412 HB2 LYS 53 HB2 LYS 53 6.697 -1.896 8.191 413 HB3 LYS 53 HB1 LYS 53 6.351 -2.936 6.822 414 HG2 LYS 53 HG2 LYS 53 8.880 -1.304 7.252 415 HG3 LYS 53 HG1 LYS 53 8.719 -3.043 7.488 416 HD2 LYS 53 HD2 LYS 53 8.500 -1.567 4.823 417 HD3 LYS 53 HD1 LYS 53 9.889 -2.502 5.374 418 HE2 LYS 53 HE2 LYS 53 7.120 -3.627 4.801 419 HE3 LYS 53 HE1 LYS 53 8.525 -3.753 3.743 420 HZ1 LYS 53 HZ1 LYS 53 8.220 -5.763 4.991 421 HZ2 LYS 53 HZ2 LYS 53 8.269 -4.918 6.450 422 HZ3 LYS 53 HZ3 LYS 53 9.650 -5.006 5.485 423 H PHE 54 HN PHE 54 6.549 0.519 4.242 424 HA PHE 54 HA PHE 54 5.888 -1.746 2.469 425 HB2 PHE 54 HB2 PHE 54 5.145 0.036 0.747 426 HB3 PHE 54 HB1 PHE 54 4.045 -0.379 2.046 427 HD1 PHE 54 HD1 PHE 54 6.772 2.180 1.426 428 HD2 PHE 54 HD2 PHE 54 2.873 1.369 2.963 429 HE1 PHE 54 HE1 PHE 54 6.431 4.578 1.854 430 HE2 PHE 54 HE2 PHE 54 2.544 3.753 3.372 431 HZ PHE 54 HZ PHE 54 4.298 5.362 2.822 432 H ALA 55 HN ALA 55 6.959 -1.735 0.450 433 HA ALA 55 HA ALA 55 9.706 -0.674 0.582 434 HB1 ALA 55 HB1 ALA 55 8.549 -2.927 -1.112 435 HB2 ALA 55 HB2 ALA 55 9.467 -3.129 0.382 436 HB3 ALA 55 HB3 ALA 55 10.247 -2.444 -1.043 437 H LEU 56 HN LEU 56 10.547 0.489 -1.133 438 HA LEU 56 HA LEU 56 8.866 2.331 -2.446 439 HB2 LEU 56 HB2 LEU 56 11.304 2.621 -1.775 440 HB3 LEU 56 HB1 LEU 56 11.765 1.637 -3.140 441 HG LEU 56 HG LEU 56 12.048 4.176 -3.366 442 HD11 LEU 56 HD11 LEU 56 12.212 2.747 -5.312 443 HD12 LEU 56 HD12 LEU 56 11.467 4.292 -5.715 444 HD13 LEU 56 HD13 LEU 56 10.469 2.842 -5.560 445 HD21 LEU 56 HD21 LEU 56 9.044 4.168 -3.735 446 HD22 LEU 56 HD22 LEU 56 10.132 5.540 -3.964 447 HD23 LEU 56 HD23 LEU 56 9.919 4.849 -2.359 448 H GLY 57 HN GLY 57 10.102 -0.797 -3.497 449 HA2 GLY 57 HA2 GLY 57 9.568 -0.763 -6.243 450 HA3 GLY 57 HA1 GLY 57 9.468 -2.185 -5.215 451 H GLU 58 HN GLU 58 7.373 -1.508 -3.525 452 HA GLU 58 HA GLU 58 4.999 -2.006 -4.987 453 HB2 GLU 58 HB2 GLU 58 5.287 -0.877 -2.159 454 HB3 GLU 58 HB1 GLU 58 3.791 -1.502 -2.851 455 HG2 GLU 58 HG2 GLU 58 4.797 -3.742 -3.029 456 HG3 GLU 58 HG1 GLU 58 6.309 -3.130 -2.351 457 H LEU 59 HN LEU 59 6.493 0.957 -3.791 458 HA LEU 59 HA LEU 59 4.319 2.742 -4.241 459 HB2 LEU 59 HB2 LEU 59 7.291 3.188 -3.870 460 HB3 LEU 59 HB1 LEU 59 6.226 4.533 -4.211 461 HG LEU 59 HG LEU 59 6.780 4.293 -1.802 462 HD11 LEU 59 HD11 LEU 59 4.530 4.596 -0.930 463 HD12 LEU 59 HD12 LEU 59 3.851 3.946 -2.421 464 HD13 LEU 59 HD13 LEU 59 4.759 5.455 -2.450 465 HD21 LEU 59 HD21 LEU 59 5.220 1.708 -1.954 466 HD22 LEU 59 HD22 LEU 59 5.725 2.515 -0.476 467 HD23 LEU 59 HD23 LEU 59 6.935 1.900 -1.587 468 H GLN 60 HN GLN 60 7.045 1.776 -6.312 469 HA GLN 60 HA GLN 60 6.581 3.457 -8.502 470 HB2 GLN 60 HB2 GLN 60 7.658 0.613 -8.433 471 HB3 GLN 60 HB1 GLN 60 7.770 1.679 -9.829 472 HG2 GLN 60 HG2 GLN 60 9.020 2.288 -7.130 473 HG3 GLN 60 HG1 GLN 60 9.866 1.492 -8.454 474 HE21 GLN 60 HE21 GLN 60 11.413 3.147 -8.565 475 HE22 GLN 60 HE22 GLN 60 11.054 4.712 -9.199 476 H LYS 61 HN LYS 61 4.790 0.686 -7.426 477 HA LYS 61 HA LYS 61 3.291 0.339 -9.920 478 HB2 LYS 61 HB2 LYS 61 2.980 -1.047 -7.217 479 HB3 LYS 61 HB1 LYS 61 2.154 -1.505 -8.706 480 HG2 LYS 61 HG2 LYS 61 5.155 -1.585 -8.266 481 HG3 LYS 61 HG1 LYS 61 4.067 -2.976 -8.188 482 HD2 LYS 61 HD2 LYS 61 3.469 -2.620 -10.586 483 HD3 LYS 61 HD1 LYS 61 4.596 -1.259 -10.654 484 HE2 LYS 61 HE2 LYS 61 5.575 -3.318 -11.605 485 HE3 LYS 61 HE1 LYS 61 6.475 -2.768 -10.190 486 HZ1 LYS 61 HZ1 LYS 61 4.430 -4.930 -10.179 487 HZ2 LYS 61 HZ2 LYS 61 5.359 -4.427 -8.856 488 HZ3 LYS 61 HZ3 LYS 61 6.104 -5.168 -10.180 489 H LEU 62 HN LEU 62 3.081 2.349 -7.190 490 HA LEU 62 HA LEU 62 0.150 2.472 -7.101 491 HB2 LEU 62 HB2 LEU 62 2.145 4.154 -5.540 492 HB3 LEU 62 HB1 LEU 62 0.420 3.992 -5.232 493 HG LEU 62 HG LEU 62 2.577 1.899 -4.790 494 HD11 LEU 62 HD11 LEU 62 1.989 2.057 -2.461 495 HD12 LEU 62 HD12 LEU 62 0.719 3.234 -2.817 496 HD13 LEU 62 HD13 LEU 62 2.415 3.644 -3.090 497 HD21 LEU 62 HD21 LEU 62 0.593 0.735 -5.650 498 HD22 LEU 62 HD22 LEU 62 -0.407 1.486 -4.404 499 HD23 LEU 62 HD23 LEU 62 0.873 0.359 -3.952 500 H LYS 63 HN LYS 63 -0.572 3.417 -8.865 501 HA LYS 63 HA LYS 63 0.847 5.522 -10.273 502 HB2 LYS 63 HB2 LYS 63 -0.264 3.370 -11.242 503 HB3 LYS 63 HB1 LYS 63 -1.789 4.220 -11.073 504 HG2 LYS 63 HG2 LYS 63 0.529 5.294 -12.717 505 HG3 LYS 63 HG1 LYS 63 -0.675 4.197 -13.384 506 HD2 LYS 63 HD2 LYS 63 -1.169 6.990 -12.296 507 HD3 LYS 63 HD1 LYS 63 -1.205 6.494 -13.989 508 HE2 LYS 63 HE2 LYS 63 -3.163 5.047 -13.509 509 HE3 LYS 63 HE1 LYS 63 -3.121 5.556 -11.819 510 HZ1 LYS 63 HZ1 LYS 63 -3.662 7.250 -14.179 511 HZ2 LYS 63 HZ2 LYS 63 -3.452 7.854 -12.616 512 HZ3 LYS 63 HZ3 LYS 63 -4.743 6.819 -12.956 513 H ASN 64 HN ASN 64 -1.860 5.237 -8.099 514 HA ASN 64 HA ASN 64 -2.213 8.117 -8.047 515 HB2 ASN 64 HB2 ASN 64 -4.593 8.160 -8.587 516 HB3 ASN 64 HB1 ASN 64 -3.719 7.436 -9.923 517 HD21 ASN 64 HD21 ASN 64 -3.620 4.816 -8.240 518 HD22 ASN 64 HD22 ASN 64 -5.182 4.152 -8.510 519 H VAL 65 HN VAL 65 -4.160 8.606 -6.422 520 HA VAL 65 HA VAL 65 -3.220 7.608 -3.899 521 HB VAL 65 HB VAL 65 -5.437 9.615 -4.542 522 HG11 VAL 65 HG11 VAL 65 -5.280 10.382 -2.178 523 HG12 VAL 65 HG12 VAL 65 -4.176 9.049 -1.826 524 HG13 VAL 65 HG13 VAL 65 -5.845 8.713 -2.287 525 HG21 VAL 65 HG21 VAL 65 -3.772 11.335 -3.933 526 HG22 VAL 65 HG22 VAL 65 -3.203 10.343 -5.278 527 HG23 VAL 65 HG23 VAL 65 -2.566 10.074 -3.653 528 H GLY 66 HN GLY 66 -5.685 6.609 -6.052 529 HA2 GLY 66 HA2 GLY 66 -7.397 5.203 -4.267 530 HA3 GLY 66 HA1 GLY 66 -7.135 4.837 -5.969 531 H ASP 67 HN ASP 67 -4.404 4.369 -5.971 532 HA ASP 67 HA ASP 67 -4.114 1.729 -4.963 533 HB2 ASP 67 HB2 ASP 67 -2.040 3.711 -5.993 534 HB3 ASP 67 HB1 ASP 67 -1.660 2.051 -5.560 535 H LEU 68 HN LEU 68 -2.921 4.926 -3.824 536 HA LEU 68 HA LEU 68 -1.489 3.984 -1.565 537 HB2 LEU 68 HB2 LEU 68 -2.604 6.680 -2.334 538 HB3 LEU 68 HB1 LEU 68 -2.107 6.457 -0.674 539 HG LEU 68 HG LEU 68 -0.317 7.514 -1.811 540 HD11 LEU 68 HD11 LEU 68 0.393 4.607 -1.399 541 HD12 LEU 68 HD12 LEU 68 0.358 5.876 -0.171 542 HD13 LEU 68 HD13 LEU 68 1.533 5.957 -1.480 543 HD21 LEU 68 HD21 LEU 68 -0.383 5.291 -3.880 544 HD22 LEU 68 HD22 LEU 68 0.777 6.623 -3.825 545 HD23 LEU 68 HD23 LEU 68 -0.926 6.956 -4.122 546 H ALA 69 HN ALA 69 -4.890 4.836 -1.977 547 HA ALA 69 HA ALA 69 -5.647 4.995 0.740 548 HB1 ALA 69 HB1 ALA 69 -7.060 5.856 -1.072 549 HB2 ALA 69 HB2 ALA 69 -7.960 4.682 -0.114 550 HB3 ALA 69 HB3 ALA 69 -7.311 4.223 -1.689 551 H ASP 70 HN ASP 70 -5.972 2.370 -1.607 552 HA ASP 70 HA ASP 70 -6.757 0.285 0.097 553 HB2 ASP 70 HB2 ASP 70 -6.890 0.169 -2.395 554 HB3 ASP 70 HB1 ASP 70 -5.134 0.092 -2.488 555 H LEU 71 HN LEU 71 -3.516 1.266 -0.992 556 HA LEU 71 HA LEU 71 -1.973 -0.832 0.019 557 HB2 LEU 71 HB2 LEU 71 -1.146 0.619 -1.713 558 HB3 LEU 71 HB1 LEU 71 -1.296 2.034 -0.709 559 HG LEU 71 HG LEU 71 1.066 1.181 -1.257 560 HD11 LEU 71 HD11 LEU 71 0.653 2.899 0.404 561 HD12 LEU 71 HD12 LEU 71 2.028 1.880 0.811 562 HD13 LEU 71 HD13 LEU 71 0.490 1.661 1.652 563 HD21 LEU 71 HD21 LEU 71 0.709 -1.202 -0.844 564 HD22 LEU 71 HD22 LEU 71 0.477 -0.880 0.877 565 HD23 LEU 71 HD23 LEU 71 2.040 -0.563 0.117 566 H VAL 72 HN VAL 72 -2.323 2.434 1.390 567 HA VAL 72 HA VAL 72 -0.852 2.046 3.721 568 HB VAL 72 HB VAL 72 -3.102 4.030 3.126 569 HG11 VAL 72 HG11 VAL 72 -1.092 4.101 5.426 570 HG12 VAL 72 HG12 VAL 72 -2.829 3.832 5.570 571 HG13 VAL 72 HG13 VAL 72 -2.225 5.392 5.015 572 HG21 VAL 72 HG21 VAL 72 -1.124 4.260 1.611 573 HG22 VAL 72 HG22 VAL 72 -0.045 4.387 3.007 574 HG23 VAL 72 HG23 VAL 72 -1.241 5.649 2.693 575 H ASP 73 HN ASP 73 -4.306 1.511 3.039 576 HA ASP 73 HA ASP 73 -5.106 0.835 5.695 577 HB2 ASP 73 HB2 ASP 73 -6.690 1.518 3.886 578 HB3 ASP 73 HB1 ASP 73 -6.375 0.003 3.048 579 H LYS 74 HN LYS 74 -3.842 -1.086 2.995 580 HA LYS 74 HA LYS 74 -4.243 -3.693 4.090 581 HB2 LYS 74 HB2 LYS 74 -1.971 -2.889 2.211 582 HB3 LYS 74 HB1 LYS 74 -2.509 -4.532 2.542 583 HG2 LYS 74 HG2 LYS 74 -3.989 -2.385 1.011 584 HG3 LYS 74 HG1 LYS 74 -3.283 -3.858 0.368 585 HD2 LYS 74 HD2 LYS 74 -5.663 -3.726 2.267 586 HD3 LYS 74 HD1 LYS 74 -5.763 -3.935 0.522 587 HE2 LYS 74 HE2 LYS 74 -6.019 -6.116 1.337 588 HE3 LYS 74 HE1 LYS 74 -4.314 -6.072 0.910 589 HZ1 LYS 74 HZ1 LYS 74 -3.788 -5.697 3.235 590 HZ2 LYS 74 HZ2 LYS 74 -4.686 -7.114 3.046 591 HZ3 LYS 74 HZ3 LYS 74 -5.429 -5.717 3.638 592 H LYS 75 HN LYS 75 -1.650 -1.364 4.329 593 HA LYS 75 HA LYS 75 0.211 -2.966 5.771 594 HB2 LYS 75 HB2 LYS 75 0.001 0.052 5.404 595 HB3 LYS 75 HB1 LYS 75 1.393 -0.779 6.091 596 HG2 LYS 75 HG2 LYS 75 0.356 -1.117 3.258 597 HG3 LYS 75 HG1 LYS 75 1.773 -0.173 3.737 598 HD2 LYS 75 HD2 LYS 75 2.891 -2.200 4.534 599 HD3 LYS 75 HD1 LYS 75 1.462 -3.172 4.181 600 HE2 LYS 75 HE2 LYS 75 1.748 -2.825 1.800 601 HE3 LYS 75 HE1 LYS 75 3.040 -1.662 2.082 602 HZ1 LYS 75 HZ1 LYS 75 4.353 -3.447 3.062 603 HZ2 LYS 75 HZ2 LYS 75 3.944 -3.759 1.448 604 HZ3 LYS 75 HZ3 LYS 75 3.121 -4.553 2.699 605 H LEU 76 HN LEU 76 -2.257 -0.592 6.664 606 HA LEU 76 HA LEU 76 -1.784 -0.587 9.478 607 HB2 LEU 76 HB2 LEU 76 -4.145 0.233 7.763 608 HB3 LEU 76 HB1 LEU 76 -4.196 0.354 9.516 609 HG LEU 76 HG LEU 76 -2.114 1.763 7.799 610 HD11 LEU 76 HD11 LEU 76 -4.655 2.908 8.984 611 HD12 LEU 76 HD12 LEU 76 -4.334 2.631 7.271 612 HD13 LEU 76 HD13 LEU 76 -3.387 3.818 8.157 613 HD21 LEU 76 HD21 LEU 76 -2.834 2.090 10.737 614 HD22 LEU 76 HD22 LEU 76 -1.655 3.059 9.851 615 HD23 LEU 76 HD23 LEU 76 -1.367 1.340 10.099 616 H ALA 77 HN ALA 77 -3.690 -2.621 7.337 617 HA ALA 77 HA ALA 77 -5.122 -4.097 9.319 618 HB1 ALA 77 HB1 ALA 77 -5.494 -5.756 7.524 619 HB2 ALA 77 HB2 ALA 77 -4.288 -4.951 6.516 620 HB3 ALA 77 HB3 ALA 77 -5.784 -4.117 6.939 621 H ARG 78 HN ARG 78 -1.958 -4.460 7.775 622 HA ARG 78 HA ARG 78 -1.155 -6.860 9.108 623 HB2 ARG 78 HB2 ARG 78 0.491 -4.657 7.791 624 HB3 ARG 78 HB1 ARG 78 1.166 -6.171 8.382 625 HG2 ARG 78 HG2 ARG 78 -0.829 -5.848 6.111 626 HG3 ARG 78 HG1 ARG 78 0.873 -6.300 5.974 627 HD2 ARG 78 HD2 ARG 78 -1.376 -7.934 7.205 628 HD3 ARG 78 HD1 ARG 78 -0.449 -8.313 5.751 629 HE ARG 78 HE ARG 78 1.522 -8.328 7.461 630 HH11 ARG 78 HH11 ARG 78 -1.664 -9.746 7.943 631 HH12 ARG 78 HH12 ARG 78 -1.116 -10.819 9.190 632 HH21 ARG 78 HH21 ARG 78 2.206 -9.740 9.097 633 HH22 ARG 78 HH22 ARG 78 1.069 -10.832 9.826 634 H LYS 79 HN LYS 79 -1.245 -3.508 10.040 635 HA LYS 79 HA LYS 79 0.619 -3.693 12.242 636 HB2 LYS 79 HB2 LYS 79 -1.391 -1.565 11.422 637 HB3 LYS 79 HB1 LYS 79 -0.408 -1.415 12.874 638 HG2 LYS 79 HG2 LYS 79 0.644 -1.625 10.035 639 HG3 LYS 79 HG1 LYS 79 0.528 -0.143 10.989 640 HD2 LYS 79 HD2 LYS 79 2.261 -2.566 11.637 641 HD3 LYS 79 HD1 LYS 79 2.833 -1.028 10.985 642 HE2 LYS 79 HE2 LYS 79 2.027 0.102 13.076 643 HE3 LYS 79 HE1 LYS 79 1.586 -1.482 13.723 644 HZ1 LYS 79 HZ1 LYS 79 3.918 -2.131 13.502 645 HZ2 LYS 79 HZ2 LYS 79 3.718 -0.812 14.538 646 HZ3 LYS 79 HZ3 LYS 79 4.302 -0.576 12.968 647 H LEU 80 HN LEU 80 -2.619 -4.735 11.839 648 HA LEU 80 HA LEU 80 -3.602 -4.356 14.484 649 HB2 LEU 80 HB2 LEU 80 -4.471 -5.966 12.121 650 HB3 LEU 80 HB1 LEU 80 -4.964 -6.620 13.668 651 HG LEU 80 HG LEU 80 -6.755 -5.264 12.758 652 HD11 LEU 80 HD11 LEU 80 -5.473 -3.838 15.108 653 HD12 LEU 80 HD12 LEU 80 -6.501 -5.271 15.189 654 HD13 LEU 80 HD13 LEU 80 -7.171 -3.745 14.621 655 HD21 LEU 80 HD21 LEU 80 -4.807 -2.937 12.700 656 HD22 LEU 80 HD22 LEU 80 -6.536 -2.855 12.342 657 HD23 LEU 80 HD23 LEU 80 -5.467 -3.789 11.300 658 H GLU 81 HN GLU 81 -1.886 -4.830 15.780 659 HA GLU 81 HA GLU 81 -1.227 -7.677 16.257 660 HB2 GLU 81 HB2 GLU 81 0.577 -5.641 15.838 661 HB3 GLU 81 HB1 GLU 81 0.369 -5.454 17.570 662 HG2 GLU 81 HG2 GLU 81 1.237 -8.016 16.195 663 HG3 GLU 81 HG1 GLU 81 2.343 -6.830 16.873 664 H HIS 82 HN HIS 82 -1.491 -8.417 18.389 665 HA HIS 82 HA HIS 82 -3.603 -7.291 19.932 666 HB2 HIS 82 HB2 HIS 82 -1.618 -9.523 20.539 667 HB3 HIS 82 HB1 HIS 82 -2.991 -9.127 21.568 668 HD1 HIS 82 HD1 HIS 82 -4.894 -10.650 21.190 669 HD2 HIS 82 HD2 HIS 82 -2.710 -10.087 17.699 670 HE1 HIS 82 HE1 HIS 82 -6.021 -12.075 19.461 671 HE2 HIS 82 HE2 HIS 82 -4.585 -11.851 17.403 672 H HIS 83 HN HIS 83 -0.252 -6.699 19.832 673 HA HIS 83 HA HIS 83 1.251 -5.514 20.948 674 HB2 HIS 83 HB2 HIS 83 -0.332 -3.655 21.021 675 HB3 HIS 83 HB1 HIS 83 -1.114 -4.322 22.448 676 HD1 HIS 83 HD1 HIS 83 -0.032 -3.899 24.707 677 HD2 HIS 83 HD2 HIS 83 2.267 -2.532 21.527 678 HE1 HIS 83 HE1 HIS 83 1.878 -2.640 25.750 679 HE2 HIS 83 HE2 HIS 83 3.360 -2.022 23.812 680 H HIS 84 HN HIS 84 2.385 -7.050 21.881 681 HA HIS 84 HA HIS 84 1.568 -8.708 24.046 682 HB2 HIS 84 HB2 HIS 84 4.418 -8.172 23.087 683 HB3 HIS 84 HB1 HIS 84 3.864 -9.561 24.015 684 HD1 HIS 84 HD1 HIS 84 5.273 -9.540 21.120 685 HD2 HIS 84 HD2 HIS 84 1.258 -10.196 21.949 686 HE1 HIS 84 HE1 HIS 84 4.391 -10.846 19.169 687 HE2 HIS 84 HE2 HIS 84 1.912 -10.981 19.581 688 H HIS 85 HN HIS 85 2.053 -8.578 26.232 689 HA HIS 85 HA HIS 85 2.902 -6.006 27.337 690 HB2 HIS 85 HB2 HIS 85 2.148 -6.938 29.520 691 HB3 HIS 85 HB1 HIS 85 0.894 -7.049 28.293 692 HD1 HIS 85 HD1 HIS 85 3.352 -9.223 30.180 693 HD2 HIS 85 HD2 HIS 85 -0.059 -9.602 27.839 694 HE1 HIS 85 HE1 HIS 85 2.672 -11.635 30.357 695 HE2 HIS 85 HE2 HIS 85 0.675 -11.860 28.846 696 H HIS 86 HN HIS 86 4.921 -7.246 25.988 697 HA HIS 86 HA HIS 86 6.863 -8.207 28.012 698 HB2 HIS 86 HB2 HIS 86 6.461 -9.832 26.204 699 HB3 HIS 86 HB1 HIS 86 6.718 -8.596 24.980 700 HD1 HIS 86 HD1 HIS 86 8.610 -10.641 27.536 701 HD2 HIS 86 HD2 HIS 86 9.354 -8.276 24.208 702 HE1 HIS 86 HE1 HIS 86 11.027 -11.028 26.972 703 HE2 HIS 86 HE2 HIS 86 11.491 -9.458 25.052 704 H HIS 87 HN HIS 87 5.953 -5.656 25.898 705 HA HIS 87 HA HIS 87 6.763 -3.692 25.221 706 HB2 HIS 87 HB2 HIS 87 7.436 -3.389 27.633 707 HB3 HIS 87 HB1 HIS 87 9.013 -4.059 27.254 708 HD1 HIS 87 HD1 HIS 87 7.040 -0.942 27.108 709 HD2 HIS 87 HD2 HIS 87 10.688 -2.319 25.693 710 HE1 HIS 87 HE1 HIS 87 8.284 1.101 26.394 711 HE2 HIS 87 HE2 HIS 87 10.394 0.225 25.336 712 H282 PNS 88 H282 PNS 88 6.149 12.990 -11.852 713 H281 PNS 88 H281 PNS 88 7.081 12.029 -12.989 714 H303 PNS 88 H303 PNS 88 4.163 12.030 -11.210 715 H302 PNS 88 H302 PNS 88 4.183 11.211 -12.771 716 H301 PNS 88 H301 PNS 88 3.837 10.290 -11.298 717 H313 PNS 88 H313 PNS 88 5.655 9.612 -9.764 718 H312 PNS 88 H312 PNS 88 7.281 10.279 -9.929 719 H311 PNS 88 H311 PNS 88 5.947 11.325 -9.438 720 H32 PNS 88 H32 PNS 88 6.168 9.796 -13.487 721 H33 PNS 88 H33 PNS 88 7.924 8.550 -11.771 722 H36 PNS 88 H36 PNS 88 3.941 8.922 -12.993 723 H372 PNS 88 H372 PNS 88 2.546 7.137 -12.775 724 H371 PNS 88 H371 PNS 88 3.962 6.130 -12.458 725 H382 PNS 88 H382 PNS 88 2.522 6.087 -10.514 726 H381 PNS 88 H381 PNS 88 4.000 6.958 -10.133 727 H41 PNS 88 H41 PNS 88 2.222 7.372 -8.352 728 H422 PNS 88 H422 PNS 88 1.782 10.020 -8.015 729 H421 PNS 88 H421 PNS 88 0.326 9.487 -8.861 730 H431 PNS 88 H431 PNS 88 -0.109 7.847 -7.080 731 H432 PNS 88 H432 PNS 88 -0.025 9.487 -6.432 732 H44 PNS 88 H44 PNS 88 2.967 8.128 -6.327 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -10.970 0.087 5.497 2 H2 MET 1 HT2 MET 1 -9.758 1.115 6.065 3 H3 MET 1 HT3 MET 1 -10.550 1.462 4.615 4 HA MET 1 HA MET 1 -12.598 1.813 5.702 5 HB2 MET 1 HB2 MET 1 -12.339 0.196 7.549 6 HB3 MET 1 HB1 MET 1 -11.119 1.213 8.298 7 HG2 MET 1 HG2 MET 1 -12.873 2.998 8.546 8 HG3 MET 1 HG1 MET 1 -14.061 1.827 7.978 9 HE1 MET 1 HE1 MET 1 -15.502 2.269 10.215 10 HE2 MET 1 HE2 MET 1 -14.290 3.424 10.776 11 HE3 MET 1 HE3 MET 1 -14.830 2.127 11.843 12 HA PRO 2 HA PRO 2 -10.611 5.808 7.355 13 HB2 PRO 2 HB2 PRO 2 -8.420 5.907 8.856 14 HB3 PRO 2 HB1 PRO 2 -9.835 5.036 9.471 15 HG2 PRO 2 HG2 PRO 2 -7.291 3.941 8.294 16 HG3 PRO 2 HG1 PRO 2 -8.276 3.309 9.632 17 HD2 PRO 2 HD2 PRO 2 -8.392 2.503 6.876 18 HD3 PRO 2 HD1 PRO 2 -9.490 2.011 8.180 19 H THR 3 HN THR 3 -9.798 4.694 4.806 20 HA THR 3 HA THR 3 -7.011 4.746 4.358 21 HB THR 3 HB THR 3 -7.629 4.352 1.975 22 HG1 THR 3 HG1 THR 3 -10.328 4.162 2.564 23 HG21 THR 3 HG21 THR 3 -8.824 2.223 2.333 24 HG22 THR 3 HG22 THR 3 -9.243 2.723 3.974 25 HG23 THR 3 HG23 THR 3 -7.553 2.451 3.536 26 H LEU 4 HN LEU 4 -9.347 6.743 2.463 27 HA LEU 4 HA LEU 4 -7.434 8.622 1.563 28 HB2 LEU 4 HB2 LEU 4 -10.465 8.925 1.778 29 HB3 LEU 4 HB1 LEU 4 -9.414 10.011 0.883 30 HG LEU 4 HG LEU 4 -9.932 7.082 0.215 31 HD11 LEU 4 HD11 LEU 4 -10.851 9.596 -1.221 32 HD12 LEU 4 HD12 LEU 4 -11.867 8.517 -0.262 33 HD13 LEU 4 HD13 LEU 4 -11.127 7.931 -1.748 34 HD21 LEU 4 HD21 LEU 4 -8.253 9.119 -1.295 35 HD22 LEU 4 HD22 LEU 4 -8.642 7.484 -1.841 36 HD23 LEU 4 HD23 LEU 4 -7.643 7.715 -0.410 37 H ASP 5 HN ASP 5 -9.647 8.536 4.277 38 HA ASP 5 HA ASP 5 -9.602 11.169 5.184 39 HB2 ASP 5 HB2 ASP 5 -11.174 9.366 5.971 40 HB3 ASP 5 HB1 ASP 5 -9.860 8.633 6.877 41 H ALA 6 HN ALA 6 -7.556 8.440 6.190 42 HA ALA 6 HA ALA 6 -5.959 9.869 8.064 43 HB1 ALA 6 HB1 ALA 6 -6.222 7.415 8.142 44 HB2 ALA 6 HB2 ALA 6 -4.520 7.871 8.056 45 HB3 ALA 6 HB3 ALA 6 -5.347 7.265 6.617 46 H LEU 7 HN LEU 7 -5.655 9.156 4.630 47 HA LEU 7 HA LEU 7 -2.986 10.057 4.233 48 HB2 LEU 7 HB2 LEU 7 -5.323 9.873 2.282 49 HB3 LEU 7 HB1 LEU 7 -3.662 10.184 1.807 50 HG LEU 7 HG LEU 7 -4.616 7.612 3.132 51 HD11 LEU 7 HD11 LEU 7 -3.990 8.135 0.206 52 HD12 LEU 7 HD12 LEU 7 -5.590 7.852 0.896 53 HD13 LEU 7 HD13 LEU 7 -4.386 6.569 0.924 54 HD21 LEU 7 HD21 LEU 7 -1.939 8.311 1.879 55 HD22 LEU 7 HD22 LEU 7 -2.411 6.722 2.490 56 HD23 LEU 7 HD23 LEU 7 -2.262 8.081 3.600 57 H THR 8 HN THR 8 -6.113 11.739 4.340 58 HA THR 8 HA THR 8 -5.565 13.945 2.751 59 HB THR 8 HB THR 8 -7.451 13.859 5.140 60 HG1 THR 8 HG1 THR 8 -7.485 12.548 2.842 61 HG21 THR 8 HG21 THR 8 -8.709 15.634 3.965 62 HG22 THR 8 HG22 THR 8 -7.450 15.720 2.731 63 HG23 THR 8 HG23 THR 8 -7.088 16.191 4.393 64 HA PRO 9 HA PRO 9 -3.904 16.552 6.631 65 HB2 PRO 9 HB2 PRO 9 -2.802 15.071 8.711 66 HB3 PRO 9 HB1 PRO 9 -4.466 15.682 8.721 67 HG2 PRO 9 HG2 PRO 9 -3.455 12.946 7.930 68 HG3 PRO 9 HG1 PRO 9 -4.822 13.369 8.989 69 HD2 PRO 9 HD2 PRO 9 -5.266 12.674 6.445 70 HD3 PRO 9 HD1 PRO 9 -6.198 14.001 7.175 71 H ILE 10 HN ILE 10 -2.507 13.465 5.639 72 HA ILE 10 HA ILE 10 0.256 14.111 6.032 73 HB ILE 10 HB ILE 10 -0.982 12.020 4.184 74 HG12 ILE 10 HG12 ILE 10 -1.664 11.667 6.536 75 HG13 ILE 10 HG11 ILE 10 -0.587 10.387 6.005 76 HG21 ILE 10 HG21 ILE 10 1.886 12.226 5.175 77 HG22 ILE 10 HG22 ILE 10 1.328 12.458 3.515 78 HG23 ILE 10 HG23 ILE 10 1.216 10.868 4.269 79 HD11 ILE 10 HD11 ILE 10 -0.098 11.043 8.260 80 HD12 ILE 10 HD12 ILE 10 0.150 12.714 7.766 81 HD13 ILE 10 HD13 ILE 10 1.261 11.452 7.219 82 H PHE 11 HN PHE 11 -1.929 14.182 3.227 83 HA PHE 11 HA PHE 11 0.040 15.034 1.317 84 HB2 PHE 11 HB2 PHE 11 -2.995 14.791 1.255 85 HB3 PHE 11 HB1 PHE 11 -2.109 15.484 -0.098 86 HD1 PHE 11 HD2 PHE 11 -2.006 12.398 2.074 87 HD2 PHE 11 HD1 PHE 11 -1.510 14.035 -1.828 88 HE1 PHE 11 HE2 PHE 11 -1.592 10.148 1.187 89 HE2 PHE 11 HE1 PHE 11 -1.086 11.794 -2.692 90 HZ PHE 11 HZ PHE 11 -1.120 9.844 -1.205 91 H ARG 12 HN ARG 12 -2.628 16.660 3.071 92 HA ARG 12 HA ARG 12 -2.243 19.264 2.143 93 HB2 ARG 12 HB2 ARG 12 -3.287 18.267 4.818 94 HB3 ARG 12 HB1 ARG 12 -3.329 19.967 4.344 95 HG2 ARG 12 HG2 ARG 12 -4.762 19.404 2.417 96 HG3 ARG 12 HG1 ARG 12 -4.715 17.697 2.864 97 HD2 ARG 12 HD2 ARG 12 -5.875 18.183 4.957 98 HD3 ARG 12 HD1 ARG 12 -5.842 19.915 4.611 99 HE ARG 12 HE ARG 12 -7.116 18.555 2.508 100 HH11 ARG 12 HH11 ARG 12 -7.730 19.535 5.826 101 HH12 ARG 12 HH12 ARG 12 -9.451 19.505 5.637 102 HH21 ARG 12 HH21 ARG 12 -9.358 18.548 2.264 103 HH22 ARG 12 HH22 ARG 12 -10.378 18.960 3.607 104 H GLN 13 HN GLN 13 -0.527 17.516 4.688 105 HA GLN 13 HA GLN 13 1.045 19.641 5.709 106 HB2 GLN 13 HB2 GLN 13 0.850 17.530 6.946 107 HB3 GLN 13 HB1 GLN 13 1.555 16.629 5.616 108 HG2 GLN 13 HG2 GLN 13 3.205 16.867 7.371 109 HG3 GLN 13 HG1 GLN 13 3.718 17.809 5.971 110 HE21 GLN 13 HE21 GLN 13 1.295 18.728 8.410 111 HE22 GLN 13 HE22 GLN 13 2.167 20.083 9.027 112 H VAL 14 HN VAL 14 1.844 17.079 3.368 113 HA VAL 14 HA VAL 14 4.499 17.821 2.874 114 HB VAL 14 HB VAL 14 2.546 16.073 1.313 115 HG11 VAL 14 HG11 VAL 14 4.233 16.811 -0.314 116 HG12 VAL 14 HG12 VAL 14 4.493 15.113 0.090 117 HG13 VAL 14 HG13 VAL 14 5.533 16.355 0.789 118 HG21 VAL 14 HG21 VAL 14 4.894 15.336 3.108 119 HG22 VAL 14 HG22 VAL 14 3.749 14.220 2.365 120 HG23 VAL 14 HG23 VAL 14 3.202 15.340 3.609 121 H PHE 15 HN PHE 15 1.569 18.515 0.956 122 HA PHE 15 HA PHE 15 3.100 20.058 -1.003 123 HB2 PHE 15 HB2 PHE 15 0.098 19.515 -0.945 124 HB3 PHE 15 HB1 PHE 15 1.025 20.161 -2.302 125 HD1 PHE 15 HD1 PHE 15 3.111 18.634 -3.036 126 HD2 PHE 15 HD2 PHE 15 -0.345 17.200 -0.970 127 HE1 PHE 15 HE1 PHE 15 3.610 16.347 -3.765 128 HE2 PHE 15 HE2 PHE 15 0.168 14.916 -1.715 129 HZ PHE 15 HZ PHE 15 2.148 14.485 -3.104 130 H ASP 16 HN ASP 16 1.507 20.670 1.938 131 HA ASP 16 HA ASP 16 1.230 22.507 3.199 132 HB2 ASP 16 HB2 ASP 16 3.550 23.049 2.447 133 HB3 ASP 16 HB1 ASP 16 2.892 23.928 1.071 134 H ASP 17 HN ASP 17 -0.937 21.866 1.989 135 HA ASP 17 HA ASP 17 -2.339 24.339 1.390 136 HB2 ASP 17 HB2 ASP 17 -1.517 23.690 -0.867 137 HB3 ASP 17 HB1 ASP 17 -2.201 22.076 -0.673 138 H ASP 18 HN ASP 18 -4.064 24.197 2.669 139 HA ASP 18 HA ASP 18 -5.047 21.699 3.739 140 HB2 ASP 18 HB2 ASP 18 -4.850 23.722 5.147 141 HB3 ASP 18 HB1 ASP 18 -6.003 24.567 4.121 142 H SER 19 HN SER 19 -5.716 23.369 0.898 143 HA SER 19 HA SER 19 -8.610 22.962 0.833 144 HB2 SER 19 HB2 SER 19 -6.739 23.983 -1.343 145 HB3 SER 19 HB1 SER 19 -8.505 24.026 -1.389 146 HG SER 19 HG SER 19 -8.151 25.222 0.737 147 H ILE 20 HN ILE 20 -5.892 21.055 0.181 148 HA ILE 20 HA ILE 20 -6.623 19.486 -2.005 149 HB ILE 20 HB ILE 20 -5.094 18.658 0.505 150 HG12 ILE 20 HG12 ILE 20 -4.088 19.540 -2.239 151 HG13 ILE 20 HG11 ILE 20 -4.024 20.501 -0.762 152 HG21 ILE 20 HG21 ILE 20 -4.188 16.749 -0.796 153 HG22 ILE 20 HG22 ILE 20 -5.247 17.164 -2.144 154 HG23 ILE 20 HG23 ILE 20 -5.940 16.630 -0.613 155 HD11 ILE 20 HD11 ILE 20 -1.864 19.581 -1.277 156 HD12 ILE 20 HD12 ILE 20 -2.517 17.945 -1.317 157 HD13 ILE 20 HD13 ILE 20 -2.471 18.844 0.205 158 H VAL 21 HN VAL 21 -8.350 18.274 -2.347 159 HA VAL 21 HA VAL 21 -9.718 16.842 -0.141 160 HB VAL 21 HB VAL 21 -11.024 17.961 -2.681 161 HG11 VAL 21 HG11 VAL 21 -13.173 17.226 -1.696 162 HG12 VAL 21 HG12 VAL 21 -12.314 16.526 -0.321 163 HG13 VAL 21 HG13 VAL 21 -12.082 15.858 -1.939 164 HG21 VAL 21 HG21 VAL 21 -11.339 18.931 0.191 165 HG22 VAL 21 HG22 VAL 21 -12.241 19.529 -1.204 166 HG23 VAL 21 HG23 VAL 21 -10.498 19.788 -1.105 167 H LEU 22 HN LEU 22 -8.736 14.905 -0.404 168 HA LEU 22 HA LEU 22 -7.606 13.973 -2.802 169 HB2 LEU 22 HB2 LEU 22 -8.215 12.552 -0.193 170 HB3 LEU 22 HB1 LEU 22 -7.389 11.760 -1.529 171 HG LEU 22 HG LEU 22 -6.359 14.204 -0.016 172 HD11 LEU 22 HD11 LEU 22 -4.628 12.700 0.839 173 HD12 LEU 22 HD12 LEU 22 -5.374 11.336 0.001 174 HD13 LEU 22 HD13 LEU 22 -6.234 12.149 1.313 175 HD21 LEU 22 HD21 LEU 22 -5.043 12.640 -2.276 176 HD22 LEU 22 HD22 LEU 22 -4.290 13.934 -1.340 177 HD23 LEU 22 HD23 LEU 22 -5.667 14.290 -2.377 178 H THR 23 HN THR 23 -8.344 12.872 -4.409 179 HA THR 23 HA THR 23 -10.948 11.477 -4.272 180 HB THR 23 HB THR 23 -11.117 11.754 -6.744 181 HG1 THR 23 HG1 THR 23 -8.654 12.255 -6.802 182 HG21 THR 23 HG21 THR 23 -11.704 14.156 -6.824 183 HG22 THR 23 HG22 THR 23 -10.831 14.425 -5.311 184 HG23 THR 23 HG23 THR 23 -12.276 13.410 -5.329 185 H ARG 24 HN ARG 24 -10.963 9.489 -5.602 186 HA ARG 24 HA ARG 24 -8.883 7.763 -4.929 187 HB2 ARG 24 HB2 ARG 24 -11.108 7.515 -6.990 188 HB3 ARG 24 HB1 ARG 24 -9.958 6.217 -6.715 189 HG2 ARG 24 HG2 ARG 24 -11.942 5.701 -5.475 190 HG3 ARG 24 HG1 ARG 24 -10.688 6.122 -4.311 191 HD2 ARG 24 HD2 ARG 24 -11.697 8.381 -4.072 192 HD3 ARG 24 HD1 ARG 24 -12.946 7.935 -5.242 193 HE ARG 24 HE ARG 24 -12.912 6.070 -3.135 194 HH11 ARG 24 HH11 ARG 24 -13.878 9.417 -3.694 195 HH12 ARG 24 HH12 ARG 24 -15.119 9.370 -2.483 196 HH21 ARG 24 HH21 ARG 24 -14.502 6.041 -1.569 197 HH22 ARG 24 HH22 ARG 24 -15.475 7.450 -1.276 198 H GLU 25 HN GLU 25 -9.518 9.427 -7.999 199 HA GLU 25 HA GLU 25 -7.226 8.248 -9.335 200 HB2 GLU 25 HB2 GLU 25 -7.982 9.552 -11.328 201 HB3 GLU 25 HB1 GLU 25 -9.192 8.454 -10.693 202 HG2 GLU 25 HG2 GLU 25 -9.264 11.338 -9.823 203 HG3 GLU 25 HG1 GLU 25 -9.824 10.923 -11.437 204 H THR 26 HN THR 26 -7.177 10.596 -7.095 205 HA THR 26 HA THR 26 -5.653 12.674 -8.267 206 HB THR 26 HB THR 26 -5.614 11.678 -5.382 207 HG1 THR 26 HG1 THR 26 -6.994 13.855 -6.584 208 HG21 THR 26 HG21 THR 26 -4.623 14.333 -6.489 209 HG22 THR 26 HG22 THR 26 -3.606 13.050 -5.823 210 HG23 THR 26 HG23 THR 26 -4.742 13.912 -4.780 211 H SER 27 HN SER 27 -3.999 11.919 -9.610 212 HA SER 27 HA SER 27 -1.821 10.310 -8.406 213 HB2 SER 27 HB2 SER 27 -1.084 9.945 -10.742 214 HB3 SER 27 HB1 SER 27 -2.767 9.454 -10.530 215 HG SER 27 HG SER 27 -2.122 10.822 -12.426 216 H ALA 28 HN ALA 28 0.384 10.994 -9.533 217 HA ALA 28 HA ALA 28 1.237 13.530 -8.750 218 HB1 ALA 28 HB1 ALA 28 2.464 11.684 -10.818 219 HB2 ALA 28 HB2 ALA 28 2.725 11.611 -9.075 220 HB3 ALA 28 HB3 ALA 28 3.293 13.008 -9.992 221 H ASN 29 HN ASN 29 -0.578 12.704 -11.565 222 HA ASN 29 HA ASN 29 0.096 15.106 -13.074 223 HB2 ASN 29 HB2 ASN 29 -0.513 13.009 -14.268 224 HB3 ASN 29 HB1 ASN 29 -2.107 13.040 -13.519 225 HD21 ASN 29 HD21 ASN 29 0.002 14.613 -15.864 226 HD22 ASN 29 HD22 ASN 29 -1.250 15.420 -16.739 227 H ASP 30 HN ASP 30 -2.411 13.997 -10.824 228 HA ASP 30 HA ASP 30 -4.254 16.163 -11.356 229 HB2 ASP 30 HB2 ASP 30 -4.951 13.850 -10.618 230 HB3 ASP 30 HB1 ASP 30 -4.229 14.170 -9.043 231 H ILE 31 HN ILE 31 -1.575 15.614 -9.216 232 HA ILE 31 HA ILE 31 -1.965 18.278 -7.972 233 HB ILE 31 HB ILE 31 -0.437 15.911 -6.762 234 HG12 ILE 31 HG12 ILE 31 -2.986 17.312 -5.831 235 HG13 ILE 31 HG11 ILE 31 -2.865 15.670 -6.443 236 HG21 ILE 31 HG21 ILE 31 0.745 18.023 -6.297 237 HG22 ILE 31 HG22 ILE 31 0.023 17.394 -4.819 238 HG23 ILE 31 HG23 ILE 31 -0.741 18.740 -5.667 239 HD11 ILE 31 HD11 ILE 31 -1.706 16.690 -3.845 240 HD12 ILE 31 HD12 ILE 31 -1.550 15.040 -4.451 241 HD13 ILE 31 HD13 ILE 31 -3.139 15.684 -4.039 242 H ASP 32 HN ASP 32 -0.742 19.602 -9.145 243 HA ASP 32 HA ASP 32 1.272 18.754 -10.945 244 HB2 ASP 32 HB2 ASP 32 -0.162 20.831 -11.200 245 HB3 ASP 32 HB1 ASP 32 0.810 21.600 -9.949 246 H ALA 33 HN ALA 33 1.433 20.103 -7.699 247 HA ALA 33 HA ALA 33 4.271 20.526 -7.603 248 HB1 ALA 33 HB1 ALA 33 2.250 20.342 -5.340 249 HB2 ALA 33 HB2 ALA 33 2.697 21.811 -6.211 250 HB3 ALA 33 HB3 ALA 33 3.893 20.981 -5.217 251 H TRP 34 HN TRP 34 2.520 17.641 -7.594 252 HA TRP 34 HA TRP 34 4.126 16.174 -5.663 253 HB2 TRP 34 HB2 TRP 34 1.612 15.809 -6.163 254 HB3 TRP 34 HB1 TRP 34 2.114 15.016 -7.648 255 HD1 TRP 34 HD1 TRP 34 4.626 13.803 -5.365 256 HE1 TRP 34 HE1 TRP 34 3.932 11.607 -4.243 257 HE3 TRP 34 HE3 TRP 34 -0.369 13.891 -6.432 258 HZ2 TRP 34 HZ2 TRP 34 1.600 10.098 -3.867 259 HZ3 TRP 34 HZ3 TRP 34 -1.771 12.021 -5.662 260 HH2 TRP 34 HH2 TRP 34 -0.805 10.160 -4.396 261 H ASP 35 HN ASP 35 6.053 17.003 -7.039 262 HA ASP 35 HA ASP 35 6.799 15.307 -9.281 263 HB2 ASP 35 HB2 ASP 35 8.951 16.495 -9.200 264 HB3 ASP 35 HB1 ASP 35 7.619 17.644 -9.149 265 H SER 36 HN SER 36 9.043 14.188 -9.063 266 HA SER 36 HA SER 36 8.779 11.931 -7.524 267 HB2 SER 36 HB2 SER 36 11.291 13.121 -8.745 268 HB3 SER 36 HB1 SER 36 11.137 11.446 -8.194 269 H LEU 37 HN LEU 37 10.579 14.823 -6.657 270 HA LEU 37 HA LEU 37 11.745 13.695 -4.273 271 HB2 LEU 37 HB2 LEU 37 11.520 16.566 -5.225 272 HB3 LEU 37 HB1 LEU 37 12.319 16.117 -3.734 273 HG LEU 37 HG LEU 37 14.027 16.479 -5.364 274 HD11 LEU 37 HD11 LEU 37 13.712 13.486 -5.013 275 HD12 LEU 37 HD12 LEU 37 14.439 14.610 -3.862 276 HD13 LEU 37 HD13 LEU 37 15.202 14.342 -5.426 277 HD21 LEU 37 HD21 LEU 37 12.720 16.299 -7.418 278 HD22 LEU 37 HD22 LEU 37 12.614 14.545 -7.236 279 HD23 LEU 37 HD23 LEU 37 14.179 15.316 -7.522 280 H SER 38 HN SER 38 8.824 15.588 -4.952 281 HA SER 38 HA SER 38 7.957 15.904 -2.250 282 HB2 SER 38 HB2 SER 38 6.335 15.880 -4.831 283 HB3 SER 38 HB1 SER 38 5.724 16.405 -3.260 284 HG SER 38 HG SER 38 6.918 17.880 -5.022 285 H HIS 39 HN HIS 39 7.518 13.305 -4.646 286 HA HIS 39 HA HIS 39 5.788 11.589 -3.280 287 HB2 HIS 39 HB2 HIS 39 8.128 10.941 -5.115 288 HB3 HIS 39 HB1 HIS 39 7.147 9.667 -4.406 289 HD2 HIS 39 HD2 HIS 39 7.033 12.211 -7.290 290 HE1 HIS 39 HE1 HIS 39 3.429 10.066 -7.282 291 HE2 HIS 39 HE2 HIS 39 4.783 11.823 -8.473 292 H MET 40 HN MET 40 9.295 12.019 -2.868 293 HA MET 40 HA MET 40 9.743 9.906 -1.041 294 HB2 MET 40 HB2 MET 40 11.289 12.507 -1.399 295 HB3 MET 40 HB1 MET 40 11.850 11.137 -0.442 296 HG2 MET 40 HG2 MET 40 11.386 11.197 -3.434 297 HG3 MET 40 HG1 MET 40 12.938 11.104 -2.594 298 HE1 MET 40 HE1 MET 40 12.266 8.960 -0.248 299 HE2 MET 40 HE2 MET 40 13.743 8.885 -1.212 300 HE3 MET 40 HE3 MET 40 12.736 7.451 -1.037 301 H ASN 41 HN ASN 41 9.026 13.351 -0.524 302 HA ASN 41 HA ASN 41 9.091 13.363 2.312 303 HB2 ASN 41 HB2 ASN 41 7.642 15.196 0.351 304 HB3 ASN 41 HB1 ASN 41 7.783 15.524 2.078 305 HD21 ASN 41 HD21 ASN 41 8.818 16.938 -0.347 306 HD22 ASN 41 HD22 ASN 41 10.502 17.153 -0.040 307 H LEU 42 HN LEU 42 6.479 12.834 -0.013 308 HA LEU 42 HA LEU 42 4.280 12.704 1.702 309 HB2 LEU 42 HB2 LEU 42 4.356 12.863 -0.849 310 HB3 LEU 42 HB1 LEU 42 4.658 11.142 -0.891 311 HG LEU 42 HG LEU 42 2.275 11.916 -1.386 312 HD11 LEU 42 HD11 LEU 42 2.576 9.895 0.844 313 HD12 LEU 42 HD12 LEU 42 2.732 9.577 -0.884 314 HD13 LEU 42 HD13 LEU 42 1.175 10.069 -0.219 315 HD21 LEU 42 HD21 LEU 42 0.809 12.479 0.481 316 HD22 LEU 42 HD22 LEU 42 2.117 13.652 0.347 317 HD23 LEU 42 HD23 LEU 42 2.169 12.411 1.604 318 H ILE 43 HN ILE 43 6.403 10.136 0.533 319 HA ILE 43 HA ILE 43 5.089 7.965 1.782 320 HB ILE 43 HB ILE 43 7.698 8.350 0.337 321 HG12 ILE 43 HG12 ILE 43 6.879 6.503 -1.062 322 HG13 ILE 43 HG11 ILE 43 5.574 6.172 0.065 323 HG21 ILE 43 HG21 ILE 43 8.519 7.061 2.250 324 HG22 ILE 43 HG22 ILE 43 8.516 6.057 0.801 325 HG23 ILE 43 HG23 ILE 43 7.251 5.856 2.017 326 HD11 ILE 43 HD11 ILE 43 5.862 8.603 -1.682 327 HD12 ILE 43 HD12 ILE 43 4.556 8.331 -0.528 328 HD13 ILE 43 HD13 ILE 43 4.757 7.254 -1.910 329 H VAL 44 HN VAL 44 8.064 9.781 2.765 330 HA VAL 44 HA VAL 44 8.581 8.210 5.041 331 HB VAL 44 HB VAL 44 10.083 9.993 5.817 332 HG11 VAL 44 HG11 VAL 44 11.626 10.044 3.882 333 HG12 VAL 44 HG12 VAL 44 10.322 9.482 2.830 334 HG13 VAL 44 HG13 VAL 44 10.929 8.440 4.122 335 HG21 VAL 44 HG21 VAL 44 10.372 12.104 4.553 336 HG22 VAL 44 HG22 VAL 44 8.760 11.987 5.256 337 HG23 VAL 44 HG23 VAL 44 8.994 11.680 3.534 338 H SER 45 HN SER 45 6.455 10.982 4.618 339 HA SER 45 HA SER 45 5.813 11.479 7.330 340 HB2 SER 45 HB2 SER 45 4.099 11.875 4.848 341 HB3 SER 45 HB1 SER 45 3.760 12.572 6.432 342 HG SER 45 HG SER 45 5.350 13.503 4.512 343 H LEU 46 HN LEU 46 4.277 9.298 4.912 344 HA LEU 46 HA LEU 46 2.256 8.255 6.615 345 HB2 LEU 46 HB2 LEU 46 3.632 7.086 4.172 346 HB3 LEU 46 HB1 LEU 46 2.256 6.316 4.953 347 HG LEU 46 HG LEU 46 2.164 9.124 3.775 348 HD11 LEU 46 HD11 LEU 46 2.558 7.523 1.971 349 HD12 LEU 46 HD12 LEU 46 0.923 8.176 1.883 350 HD13 LEU 46 HD13 LEU 46 1.190 6.548 2.513 351 HD21 LEU 46 HD21 LEU 46 -0.276 8.867 3.981 352 HD22 LEU 46 HD22 LEU 46 0.514 8.738 5.550 353 HD23 LEU 46 HD23 LEU 46 -0.059 7.280 4.728 354 H GLU 47 HN GLU 47 5.584 7.239 6.020 355 HA GLU 47 HA GLU 47 5.609 4.737 7.296 356 HB2 GLU 47 HB2 GLU 47 7.899 6.730 6.991 357 HB3 GLU 47 HB1 GLU 47 8.084 5.012 7.354 358 HG2 GLU 47 HG2 GLU 47 6.787 6.060 4.822 359 HG3 GLU 47 HG1 GLU 47 8.513 5.723 4.955 360 H VAL 48 HN VAL 48 6.609 7.930 8.596 361 HA VAL 48 HA VAL 48 7.275 6.952 11.172 362 HB VAL 48 HB VAL 48 7.421 9.332 11.875 363 HG11 VAL 48 HG11 VAL 48 9.240 10.003 10.333 364 HG12 VAL 48 HG12 VAL 48 8.734 8.747 9.200 365 HG13 VAL 48 HG13 VAL 48 9.357 8.303 10.791 366 HG21 VAL 48 HG21 VAL 48 6.409 10.001 9.082 367 HG22 VAL 48 HG22 VAL 48 7.031 11.161 10.258 368 HG23 VAL 48 HG23 VAL 48 5.535 10.287 10.590 369 H HIS 49 HN HIS 49 4.319 8.551 9.948 370 HA HIS 49 HA HIS 49 3.064 8.956 12.444 371 HB2 HIS 49 HB2 HIS 49 2.069 8.964 9.588 372 HB3 HIS 49 HB1 HIS 49 0.900 9.038 10.901 373 HD1 HIS 49 HD1 HIS 49 3.790 11.039 9.441 374 HD2 HIS 49 HD2 HIS 49 0.603 11.518 12.057 375 HE1 HIS 49 HE1 HIS 49 3.644 13.499 9.873 376 HE2 HIS 49 HE2 HIS 49 1.633 13.782 11.357 377 H TYR 50 HN TYR 50 2.568 6.332 10.054 378 HA TYR 50 HA TYR 50 0.751 4.942 11.917 379 HB2 TYR 50 HB2 TYR 50 1.377 4.260 9.013 380 HB3 TYR 50 HB1 TYR 50 0.057 3.612 9.982 381 HD1 TYR 50 HD1 TYR 50 -1.848 5.126 10.676 382 HD2 TYR 50 HD2 TYR 50 1.166 6.418 7.945 383 HE1 TYR 50 HE1 TYR 50 -3.234 7.052 10.048 384 HE2 TYR 50 HE2 TYR 50 -0.224 8.335 7.309 385 HH TYR 50 HH TYR 50 -2.523 9.034 7.354 386 H LYS 51 HN LYS 51 4.001 4.932 11.424 387 HA LYS 51 HA LYS 51 5.753 3.552 11.712 388 HB2 LYS 51 HB2 LYS 51 3.710 2.293 13.549 389 HB3 LYS 51 HB1 LYS 51 5.253 1.490 13.326 390 HG2 LYS 51 HG2 LYS 51 5.417 2.808 15.314 391 HG3 LYS 51 HG1 LYS 51 6.402 3.584 14.079 392 HD2 LYS 51 HD2 LYS 51 5.212 5.293 15.309 393 HD3 LYS 51 HD1 LYS 51 4.551 5.218 13.674 394 HE2 LYS 51 HE2 LYS 51 2.599 3.990 14.473 395 HE3 LYS 51 HE1 LYS 51 3.275 3.885 16.100 396 HZ1 LYS 51 HZ1 LYS 51 2.588 6.415 14.728 397 HZ2 LYS 51 HZ2 LYS 51 3.083 6.239 16.333 398 HZ3 LYS 51 HZ3 LYS 51 1.592 5.622 15.835 399 H ILE 52 HN ILE 52 4.338 3.204 9.331 400 HA ILE 52 HA ILE 52 4.231 0.290 8.823 401 HB ILE 52 HB ILE 52 3.056 0.871 6.702 402 HG12 ILE 52 HG12 ILE 52 3.078 3.753 7.730 403 HG13 ILE 52 HG11 ILE 52 4.016 3.164 6.362 404 HG21 ILE 52 HG21 ILE 52 1.746 2.008 9.198 405 HG22 ILE 52 HG22 ILE 52 1.734 0.323 8.682 406 HG23 ILE 52 HG23 ILE 52 0.893 1.540 7.724 407 HD11 ILE 52 HD11 ILE 52 1.008 3.317 6.538 408 HD12 ILE 52 HD12 ILE 52 1.918 2.687 5.163 409 HD13 ILE 52 HD13 ILE 52 2.070 4.384 5.620 410 H LYS 53 HN LYS 53 4.898 -0.115 6.362 411 HA LYS 53 HA LYS 53 7.419 1.227 5.688 412 HB2 LYS 53 HB2 LYS 53 8.172 -0.498 7.234 413 HB3 LYS 53 HB1 LYS 53 7.182 -1.720 6.441 414 HG2 LYS 53 HG2 LYS 53 8.617 -1.427 4.373 415 HG3 LYS 53 HG1 LYS 53 9.668 -0.368 5.326 416 HD2 LYS 53 HD2 LYS 53 10.238 -2.190 6.823 417 HD3 LYS 53 HD1 LYS 53 9.026 -3.244 6.086 418 HE2 LYS 53 HE2 LYS 53 10.313 -3.197 3.960 419 HE3 LYS 53 HE1 LYS 53 11.533 -2.186 4.734 420 HZ1 LYS 53 HZ1 LYS 53 12.220 -4.462 4.722 421 HZ2 LYS 53 HZ2 LYS 53 10.802 -4.950 5.497 422 HZ3 LYS 53 HZ3 LYS 53 11.921 -3.982 6.316 423 H PHE 54 HN PHE 54 6.871 1.794 3.616 424 HA PHE 54 HA PHE 54 5.661 -0.082 1.752 425 HB2 PHE 54 HB2 PHE 54 7.036 2.584 1.091 426 HB3 PHE 54 HB1 PHE 54 6.011 1.634 0.024 427 HD1 PHE 54 HD2 PHE 54 3.612 1.008 1.285 428 HD2 PHE 54 HD1 PHE 54 5.976 4.526 1.877 429 HE1 PHE 54 HE2 PHE 54 1.615 2.236 2.005 430 HE2 PHE 54 HE1 PHE 54 3.970 5.744 2.600 431 HZ PHE 54 HZ PHE 54 1.793 4.603 2.663 432 H ALA 55 HN ALA 55 6.720 -1.476 0.486 433 HA ALA 55 HA ALA 55 9.650 -1.450 0.268 434 HB1 ALA 55 HB1 ALA 55 9.343 -3.556 -1.009 435 HB2 ALA 55 HB2 ALA 55 7.591 -3.392 -0.869 436 HB3 ALA 55 HB3 ALA 55 8.570 -3.645 0.576 437 H LEU 56 HN LEU 56 10.675 -0.786 -1.612 438 HA LEU 56 HA LEU 56 9.561 1.260 -3.096 439 HB2 LEU 56 HB2 LEU 56 12.031 0.648 -2.600 440 HB3 LEU 56 HB1 LEU 56 11.959 -0.381 -4.011 441 HG LEU 56 HG LEU 56 13.055 1.889 -4.332 442 HD11 LEU 56 HD11 LEU 56 12.326 0.614 -6.263 443 HD12 LEU 56 HD12 LEU 56 12.150 2.346 -6.527 444 HD13 LEU 56 HD13 LEU 56 10.730 1.357 -6.175 445 HD21 LEU 56 HD21 LEU 56 11.536 3.223 -2.950 446 HD22 LEU 56 HD22 LEU 56 10.234 2.979 -4.118 447 HD23 LEU 56 HD23 LEU 56 11.680 3.884 -4.576 448 H GLY 57 HN GLY 57 9.729 -2.182 -3.903 449 HA2 GLY 57 HA2 GLY 57 9.009 -2.116 -6.625 450 HA3 GLY 57 HA1 GLY 57 8.709 -3.454 -5.520 451 H GLU 58 HN GLU 58 6.976 -2.414 -3.714 452 HA GLU 58 HA GLU 58 4.420 -2.495 -4.953 453 HB2 GLU 58 HB2 GLU 58 5.083 -1.379 -2.184 454 HB3 GLU 58 HB1 GLU 58 3.510 -1.963 -2.724 455 HG2 GLU 58 HG2 GLU 58 4.339 -4.241 -2.810 456 HG3 GLU 58 HG1 GLU 58 5.979 -3.698 -2.438 457 H LEU 59 HN LEU 59 6.544 0.091 -3.938 458 HA LEU 59 HA LEU 59 4.675 2.176 -3.745 459 HB2 LEU 59 HB2 LEU 59 7.094 1.741 -2.727 460 HB3 LEU 59 HB1 LEU 59 7.654 2.566 -4.166 461 HG LEU 59 HG LEU 59 7.423 3.902 -1.995 462 HD11 LEU 59 HD11 LEU 59 6.036 5.036 -4.427 463 HD12 LEU 59 HD12 LEU 59 7.777 5.018 -4.134 464 HD13 LEU 59 HD13 LEU 59 6.721 5.956 -3.082 465 HD21 LEU 59 HD21 LEU 59 4.482 3.853 -2.692 466 HD22 LEU 59 HD22 LEU 59 5.240 4.803 -1.415 467 HD23 LEU 59 HD23 LEU 59 5.229 3.047 -1.313 468 H GLN 60 HN GLN 60 6.917 1.180 -6.339 469 HA GLN 60 HA GLN 60 6.261 3.270 -8.144 470 HB2 GLN 60 HB2 GLN 60 7.339 0.506 -8.792 471 HB3 GLN 60 HB1 GLN 60 7.407 1.916 -9.848 472 HG2 GLN 60 HG2 GLN 60 8.802 1.734 -7.156 473 HG3 GLN 60 HG1 GLN 60 9.558 1.305 -8.682 474 HE21 GLN 60 HE21 GLN 60 7.482 4.195 -8.107 475 HE22 GLN 60 HE22 GLN 60 8.737 5.324 -8.379 476 H LYS 61 HN LYS 61 4.550 0.417 -7.275 477 HA LYS 61 HA LYS 61 2.856 0.338 -9.655 478 HB2 LYS 61 HB2 LYS 61 2.662 -1.193 -7.025 479 HB3 LYS 61 HB1 LYS 61 1.630 -1.465 -8.430 480 HG2 LYS 61 HG2 LYS 61 4.631 -1.896 -8.295 481 HG3 LYS 61 HG1 LYS 61 3.391 -3.156 -8.287 482 HD2 LYS 61 HD2 LYS 61 2.697 -2.457 -10.584 483 HD3 LYS 61 HD1 LYS 61 3.965 -1.228 -10.585 484 HE2 LYS 61 HE2 LYS 61 5.678 -2.998 -10.394 485 HE3 LYS 61 HE1 LYS 61 4.408 -4.226 -10.386 486 HZ1 LYS 61 HZ1 LYS 61 4.911 -2.328 -12.601 487 HZ2 LYS 61 HZ2 LYS 61 3.786 -3.590 -12.593 488 HZ3 LYS 61 HZ3 LYS 61 5.441 -3.932 -12.556 489 H LEU 62 HN LEU 62 3.015 2.269 -6.904 490 HA LEU 62 HA LEU 62 0.138 2.591 -6.536 491 HB2 LEU 62 HB2 LEU 62 2.409 4.153 -5.236 492 HB3 LEU 62 HB1 LEU 62 0.707 4.211 -4.788 493 HG LEU 62 HG LEU 62 2.679 1.938 -4.364 494 HD11 LEU 62 HD11 LEU 62 0.922 3.448 -2.414 495 HD12 LEU 62 HD12 LEU 62 2.655 3.676 -2.648 496 HD13 LEU 62 HD13 LEU 62 2.051 2.148 -2.013 497 HD21 LEU 62 HD21 LEU 62 0.631 0.897 -5.217 498 HD22 LEU 62 HD22 LEU 62 -0.333 1.749 -4.007 499 HD23 LEU 62 HD23 LEU 62 0.852 0.540 -3.508 500 H LYS 63 HN LYS 63 -0.614 3.378 -8.399 501 HA LYS 63 HA LYS 63 0.704 5.345 -10.027 502 HB2 LYS 63 HB2 LYS 63 -0.660 3.294 -10.787 503 HB3 LYS 63 HB1 LYS 63 -2.107 4.187 -10.352 504 HG2 LYS 63 HG2 LYS 63 -0.104 5.203 -12.396 505 HG3 LYS 63 HG1 LYS 63 -1.419 4.110 -12.831 506 HD2 LYS 63 HD2 LYS 63 -3.054 5.830 -11.993 507 HD3 LYS 63 HD1 LYS 63 -1.698 6.919 -11.683 508 HE2 LYS 63 HE2 LYS 63 -2.599 5.851 -14.379 509 HE3 LYS 63 HE1 LYS 63 -2.700 7.517 -13.802 510 HZ1 LYS 63 HZ1 LYS 63 -0.193 6.005 -14.323 511 HZ2 LYS 63 HZ2 LYS 63 -0.282 7.599 -13.771 512 HZ3 LYS 63 HZ3 LYS 63 -0.854 7.212 -15.310 513 H ASN 64 HN ASN 64 -1.787 5.370 -7.574 514 HA ASN 64 HA ASN 64 -1.933 8.244 -7.539 515 HB2 ASN 64 HB2 ASN 64 -4.411 8.396 -7.967 516 HB3 ASN 64 HB1 ASN 64 -3.476 7.957 -9.385 517 HD21 ASN 64 HD21 ASN 64 -3.265 5.117 -8.813 518 HD22 ASN 64 HD22 ASN 64 -4.840 4.459 -8.993 519 H VAL 65 HN VAL 65 -3.980 8.829 -5.991 520 HA VAL 65 HA VAL 65 -3.240 7.879 -3.411 521 HB VAL 65 HB VAL 65 -5.547 9.703 -4.268 522 HG11 VAL 65 HG11 VAL 65 -6.068 8.711 -2.046 523 HG12 VAL 65 HG12 VAL 65 -5.735 10.437 -1.913 524 HG13 VAL 65 HG13 VAL 65 -4.508 9.261 -1.433 525 HG21 VAL 65 HG21 VAL 65 -2.836 10.353 -3.061 526 HG22 VAL 65 HG22 VAL 65 -4.093 11.528 -3.458 527 HG23 VAL 65 HG23 VAL 65 -3.308 10.608 -4.740 528 H GLY 66 HN GLY 66 -5.651 6.876 -5.687 529 HA2 GLY 66 HA2 GLY 66 -7.355 5.347 -4.035 530 HA3 GLY 66 HA1 GLY 66 -7.015 5.033 -5.735 531 H ASP 67 HN ASP 67 -4.274 4.612 -5.645 532 HA ASP 67 HA ASP 67 -4.020 1.932 -4.698 533 HB2 ASP 67 HB2 ASP 67 -1.972 3.882 -5.817 534 HB3 ASP 67 HB1 ASP 67 -1.545 2.256 -5.304 535 H LEU 68 HN LEU 68 -2.739 5.095 -3.502 536 HA LEU 68 HA LEU 68 -1.329 4.083 -1.284 537 HB2 LEU 68 HB2 LEU 68 -2.503 6.786 -1.927 538 HB3 LEU 68 HB1 LEU 68 -2.045 6.493 -0.270 539 HG LEU 68 HG LEU 68 -0.254 7.663 -1.300 540 HD11 LEU 68 HD11 LEU 68 1.641 6.165 -1.001 541 HD12 LEU 68 HD12 LEU 68 0.559 4.770 -1.017 542 HD13 LEU 68 HD13 LEU 68 0.442 5.970 0.274 543 HD21 LEU 68 HD21 LEU 68 -0.179 5.550 -3.485 544 HD22 LEU 68 HD22 LEU 68 0.936 6.910 -3.314 545 HD23 LEU 68 HD23 LEU 68 -0.765 7.207 -3.660 546 H ALA 69 HN ALA 69 -4.739 4.812 -1.717 547 HA ALA 69 HA ALA 69 -5.590 4.815 0.962 548 HB1 ALA 69 HB1 ALA 69 -7.852 4.432 0.023 549 HB2 ALA 69 HB2 ALA 69 -7.129 4.058 -1.544 550 HB3 ALA 69 HB3 ALA 69 -6.972 5.678 -0.867 551 H ASP 70 HN ASP 70 -5.770 2.292 -1.482 552 HA ASP 70 HA ASP 70 -6.551 0.137 0.171 553 HB2 ASP 70 HB2 ASP 70 -5.129 0.152 -2.528 554 HB3 ASP 70 HB1 ASP 70 -5.634 -1.337 -1.730 555 H LEU 71 HN LEU 71 -3.298 1.239 -0.829 556 HA LEU 71 HA LEU 71 -1.940 -1.093 0.062 557 HB2 LEU 71 HB2 LEU 71 -1.243 0.665 -1.761 558 HB3 LEU 71 HB1 LEU 71 -0.513 1.528 -0.430 559 HG LEU 71 HG LEU 71 1.083 0.127 -1.789 560 HD11 LEU 71 HD11 LEU 71 0.926 -0.680 1.111 561 HD12 LEU 71 HD12 LEU 71 1.714 0.754 0.453 562 HD13 LEU 71 HD13 LEU 71 2.332 -0.845 0.053 563 HD21 LEU 71 HD21 LEU 71 1.109 -2.290 -1.568 564 HD22 LEU 71 HD22 LEU 71 -0.414 -1.753 -2.273 565 HD23 LEU 71 HD23 LEU 71 -0.352 -2.245 -0.578 566 H VAL 72 HN VAL 72 -2.040 2.240 1.425 567 HA VAL 72 HA VAL 72 -0.613 1.772 3.781 568 HB VAL 72 HB VAL 72 -2.907 3.738 3.300 569 HG11 VAL 72 HG11 VAL 72 -2.041 5.020 5.262 570 HG12 VAL 72 HG12 VAL 72 -0.892 3.719 5.594 571 HG13 VAL 72 HG13 VAL 72 -2.625 3.419 5.730 572 HG21 VAL 72 HG21 VAL 72 -1.104 5.426 2.966 573 HG22 VAL 72 HG22 VAL 72 -0.980 4.116 1.793 574 HG23 VAL 72 HG23 VAL 72 0.114 4.163 3.179 575 H ASP 73 HN ASP 73 -4.039 1.226 3.009 576 HA ASP 73 HA ASP 73 -4.860 0.445 5.639 577 HB2 ASP 73 HB2 ASP 73 -6.364 1.278 3.776 578 HB3 ASP 73 HB1 ASP 73 -6.169 -0.279 2.989 579 H LYS 74 HN LYS 74 -3.506 -1.268 2.894 580 HA LYS 74 HA LYS 74 -3.880 -3.956 3.809 581 HB2 LYS 74 HB2 LYS 74 -1.742 -2.846 1.930 582 HB3 LYS 74 HB1 LYS 74 -1.959 -4.561 2.261 583 HG2 LYS 74 HG2 LYS 74 -3.985 -2.738 0.922 584 HG3 LYS 74 HG1 LYS 74 -2.950 -3.905 0.101 585 HD2 LYS 74 HD2 LYS 74 -5.061 -4.631 2.186 586 HD3 LYS 74 HD1 LYS 74 -5.333 -4.667 0.440 587 HE2 LYS 74 HE2 LYS 74 -3.591 -6.390 0.190 588 HE3 LYS 74 HE1 LYS 74 -3.252 -6.317 1.921 589 HZ1 LYS 74 HZ1 LYS 74 -4.653 -8.187 1.367 590 HZ2 LYS 74 HZ2 LYS 74 -5.819 -7.162 0.701 591 HZ3 LYS 74 HZ3 LYS 74 -5.485 -7.101 2.356 592 H LYS 75 HN LYS 75 -1.433 -1.479 4.359 593 HA LYS 75 HA LYS 75 0.396 -3.058 5.873 594 HB2 LYS 75 HB2 LYS 75 -0.040 -0.035 5.840 595 HB3 LYS 75 HB1 LYS 75 1.336 -0.848 6.585 596 HG2 LYS 75 HG2 LYS 75 0.662 -0.882 3.623 597 HG3 LYS 75 HG1 LYS 75 1.886 0.141 4.388 598 HD2 LYS 75 HD2 LYS 75 3.168 -1.856 5.046 599 HD3 LYS 75 HD1 LYS 75 1.919 -2.912 4.375 600 HE2 LYS 75 HE2 LYS 75 2.390 -2.053 2.122 601 HE3 LYS 75 HE1 LYS 75 3.592 -0.941 2.779 602 HZ1 LYS 75 HZ1 LYS 75 3.733 -3.891 2.930 603 HZ2 LYS 75 HZ2 LYS 75 4.897 -2.804 3.497 604 HZ3 LYS 75 HZ3 LYS 75 4.587 -2.923 1.841 605 H LEU 76 HN LEU 76 -2.383 -0.986 6.684 606 HA LEU 76 HA LEU 76 -2.180 -1.164 9.531 607 HB2 LEU 76 HB2 LEU 76 -4.588 -0.531 7.773 608 HB3 LEU 76 HB1 LEU 76 -4.541 -0.310 9.518 609 HG LEU 76 HG LEU 76 -2.862 1.202 7.473 610 HD11 LEU 76 HD11 LEU 76 -4.166 3.176 8.124 611 HD12 LEU 76 HD12 LEU 76 -5.157 2.183 9.197 612 HD13 LEU 76 HD13 LEU 76 -5.195 1.911 7.454 613 HD21 LEU 76 HD21 LEU 76 -1.563 0.893 9.531 614 HD22 LEU 76 HD22 LEU 76 -2.892 1.532 10.500 615 HD23 LEU 76 HD23 LEU 76 -2.044 2.577 9.357 616 H ALA 77 HN ALA 77 -3.669 -3.173 7.070 617 HA ALA 77 HA ALA 77 -5.036 -4.981 8.844 618 HB1 ALA 77 HB1 ALA 77 -5.290 -6.406 6.839 619 HB2 ALA 77 HB2 ALA 77 -4.179 -5.358 5.950 620 HB3 ALA 77 HB3 ALA 77 -5.732 -4.731 6.499 621 H ARG 78 HN ARG 78 -1.806 -4.791 7.388 622 HA ARG 78 HA ARG 78 -0.873 -7.321 8.403 623 HB2 ARG 78 HB2 ARG 78 0.664 -4.899 7.372 624 HB3 ARG 78 HB1 ARG 78 1.443 -6.395 7.888 625 HG2 ARG 78 HG2 ARG 78 -0.424 -6.011 5.525 626 HG3 ARG 78 HG1 ARG 78 1.297 -6.397 5.485 627 HD2 ARG 78 HD2 ARG 78 -0.986 -8.194 6.389 628 HD3 ARG 78 HD1 ARG 78 0.070 -8.422 4.992 629 HE ARG 78 HE ARG 78 0.869 -8.717 7.829 630 HH11 ARG 78 HH11 ARG 78 1.495 -9.479 4.467 631 HH12 ARG 78 HH12 ARG 78 2.664 -10.698 4.859 632 HH21 ARG 78 HH21 ARG 78 2.383 -10.294 8.301 633 HH22 ARG 78 HH22 ARG 78 3.180 -11.149 7.022 634 H LYS 79 HN LYS 79 -1.376 -4.213 9.844 635 HA LYS 79 HA LYS 79 0.313 -4.728 12.150 636 HB2 LYS 79 HB2 LYS 79 -1.879 -2.641 11.736 637 HB3 LYS 79 HB1 LYS 79 -0.795 -2.701 13.123 638 HG2 LYS 79 HG2 LYS 79 -0.005 -2.173 10.243 639 HG3 LYS 79 HG1 LYS 79 -0.082 -0.980 11.546 640 HD2 LYS 79 HD2 LYS 79 1.731 -2.184 12.734 641 HD3 LYS 79 HD1 LYS 79 1.805 -3.378 11.435 642 HE2 LYS 79 HE2 LYS 79 2.542 -1.651 9.857 643 HE3 LYS 79 HE1 LYS 79 2.365 -0.407 11.097 644 HZ1 LYS 79 HZ1 LYS 79 4.657 -1.115 10.835 645 HZ2 LYS 79 HZ2 LYS 79 4.231 -2.699 11.238 646 HZ3 LYS 79 HZ3 LYS 79 4.078 -1.469 12.386 647 H LEU 80 HN LEU 80 -3.249 -4.238 11.867 648 HA LEU 80 HA LEU 80 -4.869 -4.518 13.463 649 HB2 LEU 80 HB2 LEU 80 -3.897 -7.374 13.101 650 HB3 LEU 80 HB1 LEU 80 -5.430 -6.933 13.845 651 HG LEU 80 HG LEU 80 -4.624 -6.523 10.940 652 HD11 LEU 80 HD11 LEU 80 -5.239 -8.802 11.479 653 HD12 LEU 80 HD12 LEU 80 -6.483 -8.058 10.477 654 HD13 LEU 80 HD13 LEU 80 -6.750 -8.260 12.213 655 HD21 LEU 80 HD21 LEU 80 -5.933 -4.579 11.639 656 HD22 LEU 80 HD22 LEU 80 -7.189 -5.625 12.306 657 HD23 LEU 80 HD23 LEU 80 -6.883 -5.601 10.567 658 H GLU 81 HN GLU 81 -2.930 -3.447 14.765 659 HA GLU 81 HA GLU 81 -1.415 -4.999 16.582 660 HB2 GLU 81 HB2 GLU 81 -1.142 -2.465 15.525 661 HB3 GLU 81 HB1 GLU 81 -1.720 -2.047 17.128 662 HG2 GLU 81 HG2 GLU 81 0.777 -3.624 16.441 663 HG3 GLU 81 HG1 GLU 81 0.699 -1.978 17.068 664 H HIS 82 HN HIS 82 -1.571 -5.231 18.781 665 HA HIS 82 HA HIS 82 -3.958 -5.791 20.001 666 HB2 HIS 82 HB2 HIS 82 -1.378 -4.928 21.394 667 HB3 HIS 82 HB1 HIS 82 -2.693 -5.832 22.141 668 HD1 HIS 82 HD1 HIS 82 0.301 -6.230 19.991 669 HD2 HIS 82 HD2 HIS 82 -2.874 -8.558 21.309 670 HE1 HIS 82 HE1 HIS 82 0.932 -8.590 19.433 671 HE2 HIS 82 HE2 HIS 82 -0.889 -9.988 20.473 672 H HIS 83 HN HIS 83 -1.989 -2.859 20.598 673 HA HIS 83 HA HIS 83 -4.001 -0.947 20.593 674 HB2 HIS 83 HB2 HIS 83 -4.942 -2.046 22.598 675 HB3 HIS 83 HB1 HIS 83 -3.394 -1.937 23.426 676 HD1 HIS 83 HD1 HIS 83 -3.919 -0.373 25.303 677 HD2 HIS 83 HD2 HIS 83 -5.374 1.030 21.692 678 HE1 HIS 83 HE1 HIS 83 -4.780 1.930 25.782 679 HE2 HIS 83 HE2 HIS 83 -5.857 2.658 23.629 680 H HIS 84 HN HIS 84 -0.939 -2.033 21.932 681 HA HIS 84 HA HIS 84 0.936 -1.087 22.744 682 HB2 HIS 84 HB2 HIS 84 0.215 1.015 20.678 683 HB3 HIS 84 HB1 HIS 84 1.626 1.225 21.700 684 HD1 HIS 84 HD1 HIS 84 1.330 0.633 18.468 685 HD2 HIS 84 HD2 HIS 84 2.855 -1.816 21.451 686 HE1 HIS 84 HE1 HIS 84 2.999 -0.865 17.328 687 HE2 HIS 84 HE2 HIS 84 4.048 -2.174 19.198 688 H HIS 85 HN HIS 85 -0.779 1.951 22.286 689 HA HIS 85 HA HIS 85 -1.741 2.462 24.866 690 HB2 HIS 85 HB2 HIS 85 -0.072 4.167 25.651 691 HB3 HIS 85 HB1 HIS 85 0.619 2.553 25.591 692 HD1 HIS 85 HD1 HIS 85 1.131 5.972 24.343 693 HD2 HIS 85 HD2 HIS 85 2.452 2.159 23.367 694 HE1 HIS 85 HE1 HIS 85 3.139 6.304 22.866 695 HE2 HIS 85 HE2 HIS 85 4.052 3.991 22.515 696 H HIS 86 HN HIS 86 -2.007 2.821 21.816 697 HA HIS 86 HA HIS 86 -2.822 5.628 21.712 698 HB2 HIS 86 HB2 HIS 86 -0.420 5.586 20.953 699 HB3 HIS 86 HB1 HIS 86 -0.852 4.424 19.709 700 HD1 HIS 86 HD1 HIS 86 -0.896 8.051 20.500 701 HD2 HIS 86 HD2 HIS 86 -2.341 5.550 17.516 702 HE1 HIS 86 HE1 HIS 86 -1.510 9.566 18.597 703 HE2 HIS 86 HE2 HIS 86 -2.567 8.051 16.896 704 H HIS 87 HN HIS 87 -4.855 4.526 21.768 705 HA HIS 87 HA HIS 87 -6.145 4.608 19.313 706 HB2 HIS 87 HB2 HIS 87 -5.068 2.261 19.093 707 HB3 HIS 87 HB1 HIS 87 -6.154 1.745 20.378 708 HD1 HIS 87 HD1 HIS 87 -8.714 1.624 19.773 709 HD2 HIS 87 HD2 HIS 87 -6.226 2.600 16.594 710 HE1 HIS 87 HE1 HIS 87 -10.117 1.362 17.712 711 HE2 HIS 87 HE2 HIS 87 -8.621 2.036 15.804 712 H282 PNS 88 H282 PNS 88 7.334 11.665 -10.686 713 H281 PNS 88 H281 PNS 88 7.279 11.569 -12.440 714 H303 PNS 88 H303 PNS 88 4.756 11.304 -11.138 715 H302 PNS 88 H302 PNS 88 4.866 10.716 -12.798 716 H301 PNS 88 H301 PNS 88 4.179 9.677 -11.532 717 H313 PNS 88 H313 PNS 88 6.094 10.071 -9.294 718 H312 PNS 88 H312 PNS 88 5.544 8.515 -9.931 719 H311 PNS 88 H311 PNS 88 7.270 8.840 -9.750 720 H32 PNS 88 H32 PNS 88 6.894 9.224 -13.498 721 H33 PNS 88 H33 PNS 88 8.013 7.307 -12.814 722 H36 PNS 88 H36 PNS 88 5.873 6.992 -10.897 723 H372 PNS 88 H372 PNS 88 3.581 6.030 -12.510 724 H371 PNS 88 H371 PNS 88 4.727 4.899 -11.756 725 H382 PNS 88 H382 PNS 88 2.742 5.175 -10.340 726 H381 PNS 88 H381 PNS 88 4.176 5.816 -9.542 727 H41 PNS 88 H41 PNS 88 2.582 6.917 -8.236 728 H422 PNS 88 H422 PNS 88 2.389 9.603 -8.481 729 H421 PNS 88 H421 PNS 88 0.885 9.014 -9.208 730 H431 PNS 88 H431 PNS 88 0.277 7.884 -7.153 731 H432 PNS 88 H432 PNS 88 0.680 9.558 -6.772 732 H44 PNS 88 H44 PNS 88 2.883 9.109 -5.380
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