NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573188 | 2mkr | 19791 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 3.296 16.157 15.172 2 H3 PRO 1 HT2 PRO 1 2.786 14.708 15.763 3 HA PRO 1 HA PRO 1 0.995 14.689 14.699 4 HB2 PRO 1 HB2 PRO 1 0.149 17.376 14.350 5 HB3 PRO 1 HB1 PRO 1 -0.542 16.157 15.428 6 HG2 PRO 1 HG2 PRO 1 1.443 18.288 16.008 7 HG3 PRO 1 HG1 PRO 1 0.212 17.576 17.066 8 HD2 PRO 1 HD2 PRO 1 2.789 16.970 17.383 9 HD3 PRO 1 HD1 PRO 1 1.540 15.723 17.570 10 H SER 2 HN SER 2 3.565 14.920 13.583 11 HA SER 2 HA SER 2 3.114 16.531 11.164 12 HB2 SER 2 HB2 SER 2 5.258 16.710 12.685 13 HB3 SER 2 HB1 SER 2 5.758 15.272 11.795 14 HG SER 2 HG SER 2 5.218 16.582 9.860 15 H HIS 3 HN HIS 3 2.581 15.519 9.352 16 HA HIS 3 HA HIS 3 2.235 13.894 7.799 17 HB2 HIS 3 HB2 HIS 3 4.773 12.867 9.066 18 HB3 HIS 3 HB1 HIS 3 4.012 12.069 7.693 19 HD1 HIS 3 HD1 HIS 3 4.441 15.804 8.172 20 HD2 HIS 3 HD2 HIS 3 5.764 12.731 5.709 21 HE1 HIS 3 HE1 HIS 3 5.760 16.925 6.348 22 HE2 HIS 3 HE2 HIS 3 6.620 15.039 4.916 23 H SER 4 HN SER 4 0.263 13.226 8.699 24 HA SER 4 HA SER 4 0.225 10.484 9.544 25 HB2 SER 4 HB2 SER 4 -1.026 12.443 11.463 26 HB3 SER 4 HB1 SER 4 -0.714 10.723 11.700 27 HG SER 4 HG SER 4 1.557 11.275 11.587 28 H GLY 5 HN GLY 5 -1.933 9.588 9.585 29 HA2 GLY 5 HA2 GLY 5 -4.184 11.208 8.847 30 HA3 GLY 5 HA1 GLY 5 -3.546 10.292 7.490 31 H ALA 6 HN ALA 6 -6.146 10.084 8.804 32 HA ALA 6 HA ALA 6 -6.298 7.833 10.475 33 HB1 ALA 6 HB1 ALA 6 -8.209 9.387 8.833 34 HB2 ALA 6 HB2 ALA 6 -8.263 8.965 10.544 35 HB3 ALA 6 HB3 ALA 6 -8.704 7.768 9.326 36 H ALA 7 HN ALA 7 -5.391 5.950 9.904 37 HA ALA 7 HA ALA 7 -6.108 4.828 7.273 38 HB1 ALA 7 HB1 ALA 7 -3.692 5.440 7.526 39 HB2 ALA 7 HB2 ALA 7 -3.989 3.745 7.142 40 HB3 ALA 7 HB3 ALA 7 -3.580 4.217 8.791 41 H ILE 8 HN ILE 8 -7.241 3.001 7.326 42 HA ILE 8 HA ILE 8 -7.429 1.553 9.876 43 HB ILE 8 HB ILE 8 -9.286 1.328 7.509 44 HG12 ILE 8 HG12 ILE 8 -9.547 3.016 10.008 45 HG13 ILE 8 HG11 ILE 8 -9.332 3.617 8.367 46 HG21 ILE 8 HG21 ILE 8 -10.183 0.713 10.246 47 HG22 ILE 8 HG22 ILE 8 -8.996 -0.396 9.558 48 HG23 ILE 8 HG23 ILE 8 -10.524 -0.111 8.724 49 HD11 ILE 8 HD11 ILE 8 -11.588 1.929 8.343 50 HD12 ILE 8 HD12 ILE 8 -11.525 3.679 8.135 51 HD13 ILE 8 HD13 ILE 8 -11.735 2.989 9.744 52 H PHE 9 HN PHE 9 -6.118 -0.145 9.991 53 HA PHE 9 HA PHE 9 -5.670 -1.751 7.565 54 HB2 PHE 9 HB2 PHE 9 -3.638 -0.750 8.555 55 HB3 PHE 9 HB1 PHE 9 -3.975 -1.588 10.067 56 HD1 PHE 9 HD1 PHE 9 -3.989 -2.641 6.485 57 HD2 PHE 9 HD2 PHE 9 -2.464 -3.275 10.407 58 HE1 PHE 9 HE1 PHE 9 -2.732 -4.595 5.676 59 HE2 PHE 9 HE2 PHE 9 -1.203 -5.230 9.605 60 HZ PHE 9 HZ PHE 9 -1.336 -5.892 7.237 61 H GLU 10 HN GLU 10 -6.210 -3.861 7.531 62 HA GLU 10 HA GLU 10 -7.213 -5.810 8.121 63 HB2 GLU 10 HB2 GLU 10 -5.235 -5.291 10.041 64 HB3 GLU 10 HB1 GLU 10 -6.643 -5.816 10.954 65 HG2 GLU 10 HG2 GLU 10 -6.779 -7.791 9.419 66 HG3 GLU 10 HG1 GLU 10 -5.221 -7.294 8.762 67 H LYS 11 HN LYS 11 -8.891 -3.627 8.083 68 HA LYS 11 HA LYS 11 -10.961 -2.930 8.714 69 HB2 LYS 11 HB2 LYS 11 -10.859 -5.765 9.618 70 HB3 LYS 11 HB1 LYS 11 -12.193 -4.774 10.192 71 HG2 LYS 11 HG2 LYS 11 -13.182 -5.497 8.311 72 HG3 LYS 11 HG1 LYS 11 -12.269 -4.181 7.571 73 HD2 LYS 11 HD2 LYS 11 -11.777 -5.985 6.195 74 HD3 LYS 11 HD1 LYS 11 -10.400 -5.949 7.298 75 HE2 LYS 11 HE2 LYS 11 -10.933 -8.180 7.350 76 HE3 LYS 11 HE1 LYS 11 -11.882 -7.583 8.710 77 HZ1 LYS 11 HZ1 LYS 11 -12.992 -7.867 5.977 78 HZ2 LYS 11 HZ2 LYS 11 -13.840 -7.617 7.419 79 HZ3 LYS 11 HZ3 LYS 11 -13.075 -9.098 7.134 80 H VAL 12 HN VAL 12 -8.665 -2.310 10.421 81 HA VAL 12 HA VAL 12 -10.074 -1.947 12.985 82 HB VAL 12 HB VAL 12 -7.092 -2.137 12.533 83 HG11 VAL 12 HG11 VAL 12 -8.745 -1.496 14.947 84 HG12 VAL 12 HG12 VAL 12 -7.303 -0.686 14.337 85 HG13 VAL 12 HG13 VAL 12 -7.166 -2.263 15.114 86 HG21 VAL 12 HG21 VAL 12 -7.465 -4.164 14.094 87 HG22 VAL 12 HG22 VAL 12 -7.861 -4.322 12.382 88 HG23 VAL 12 HG23 VAL 12 -9.144 -4.056 13.564 89 H SER 13 HN SER 13 -10.574 0.066 13.479 90 HA SER 13 HA SER 13 -9.740 2.259 11.849 91 HB2 SER 13 HB2 SER 13 -11.482 1.961 14.273 92 HB3 SER 13 HB1 SER 13 -10.974 3.569 13.755 93 HG SER 13 HG SER 13 -12.262 3.440 12.087 94 H GLY 14 HN GLY 14 -7.768 3.108 11.988 95 HA2 GLY 14 HA2 GLY 14 -6.792 3.967 14.595 96 HA3 GLY 14 HA1 GLY 14 -5.783 2.813 13.736 97 H ILE 15 HN ILE 15 -4.629 5.129 14.344 98 HA ILE 15 HA ILE 15 -4.748 6.749 11.886 99 HB ILE 15 HB ILE 15 -3.482 7.590 14.489 100 HG12 ILE 15 HG12 ILE 15 -5.833 7.178 14.938 101 HG13 ILE 15 HG11 ILE 15 -5.546 8.915 14.881 102 HG21 ILE 15 HG21 ILE 15 -2.886 8.698 12.280 103 HG22 ILE 15 HG22 ILE 15 -3.432 9.756 13.581 104 HG23 ILE 15 HG23 ILE 15 -4.535 9.323 12.274 105 HD11 ILE 15 HD11 ILE 15 -7.630 8.014 13.734 106 HD12 ILE 15 HD12 ILE 15 -6.536 7.409 12.490 107 HD13 ILE 15 HD13 ILE 15 -6.621 9.139 12.824 108 H ILE 16 HN ILE 16 -2.930 7.081 10.682 109 HA ILE 16 HA ILE 16 -0.608 5.438 11.393 110 HB ILE 16 HB ILE 16 -1.944 5.404 9.085 111 HG12 ILE 16 HG12 ILE 16 0.967 5.216 8.653 112 HG13 ILE 16 HG11 ILE 16 0.352 4.301 10.025 113 HG21 ILE 16 HG21 ILE 16 -1.201 6.809 7.425 114 HG22 ILE 16 HG22 ILE 16 0.310 7.173 8.259 115 HG23 ILE 16 HG23 ILE 16 -1.201 7.894 8.816 116 HD11 ILE 16 HD11 ILE 16 -1.432 3.645 8.078 117 HD12 ILE 16 HD12 ILE 16 -0.011 2.698 8.518 118 HD13 ILE 16 HD13 ILE 16 0.064 3.822 7.161 119 H ALA 17 HN ALA 17 1.521 6.261 11.209 120 HA ALA 17 HA ALA 17 1.786 9.171 11.000 121 HB1 ALA 17 HB1 ALA 17 1.553 8.798 13.363 122 HB2 ALA 17 HB2 ALA 17 3.234 9.203 13.015 123 HB3 ALA 17 HB3 ALA 17 2.776 7.528 13.325 124 H ILE 18 HN ILE 18 3.289 9.578 9.532 125 HA ILE 18 HA ILE 18 5.288 7.566 8.887 126 HB ILE 18 HB ILE 18 4.897 10.254 7.575 127 HG12 ILE 18 HG12 ILE 18 3.678 7.579 6.849 128 HG13 ILE 18 HG11 ILE 18 2.807 8.973 7.480 129 HG21 ILE 18 HG21 ILE 18 7.049 8.965 7.242 130 HG22 ILE 18 HG22 ILE 18 6.163 9.393 5.779 131 HG23 ILE 18 HG23 ILE 18 6.081 7.748 6.410 132 HD11 ILE 18 HD11 ILE 18 4.367 9.144 4.933 133 HD12 ILE 18 HD12 ILE 18 3.047 10.167 5.500 134 HD13 ILE 18 HD13 ILE 18 2.719 8.518 4.967 135 H ASN 19 HN ASN 19 7.414 7.703 9.331 136 HA ASN 19 HA ASN 19 8.351 10.128 10.719 137 HB2 ASN 19 HB2 ASN 19 9.177 7.245 11.111 138 HB3 ASN 19 HB1 ASN 19 9.985 8.617 11.865 139 HD21 ASN 19 HD21 ASN 19 8.054 6.229 12.599 140 HD22 ASN 19 HD22 ASN 19 7.017 6.963 13.770 141 H GLU 20 HN GLU 20 9.465 11.278 9.266 142 HA GLU 20 HA GLU 20 11.240 9.892 7.394 143 HB2 GLU 20 HB2 GLU 20 9.957 12.589 7.458 144 HB3 GLU 20 HB1 GLU 20 11.449 12.386 6.550 145 HG2 GLU 20 HG2 GLU 20 10.098 10.299 5.592 146 HG3 GLU 20 HG1 GLU 20 8.739 11.339 6.014 147 H ASP 21 HN ASP 21 11.886 10.126 10.219 148 HA ASP 21 HA ASP 21 13.908 12.157 10.472 149 HB2 ASP 21 HB2 ASP 21 14.413 10.971 12.634 150 HB3 ASP 21 HB1 ASP 21 12.750 11.526 12.472 151 H VAL 22 HN VAL 22 13.781 8.775 9.610 152 HA VAL 22 HA VAL 22 16.715 8.752 9.369 153 HB VAL 22 HB VAL 22 15.530 7.041 10.883 154 HG11 VAL 22 HG11 VAL 22 14.346 5.300 10.015 155 HG12 VAL 22 HG12 VAL 22 15.160 5.377 8.453 156 HG13 VAL 22 HG13 VAL 22 13.907 6.552 8.853 157 HG21 VAL 22 HG21 VAL 22 17.293 5.779 8.817 158 HG22 VAL 22 HG22 VAL 22 17.245 5.503 10.556 159 HG23 VAL 22 HG23 VAL 22 17.910 7.007 9.920 160 H SER 23 HN SER 23 17.517 7.294 7.554 161 HA SER 23 HA SER 23 16.751 8.308 5.103 162 HB2 SER 23 HB2 SER 23 18.399 6.005 5.987 163 HB3 SER 23 HB1 SER 23 17.857 5.988 4.308 164 HG SER 23 HG SER 23 19.745 7.542 5.513 165 HA PRO 24 HA PRO 24 14.211 4.379 3.985 166 HB2 PRO 24 HB2 PRO 24 13.815 2.503 5.920 167 HB3 PRO 24 HB1 PRO 24 15.170 2.459 4.786 168 HG2 PRO 24 HG2 PRO 24 15.097 3.446 7.612 169 HG3 PRO 24 HG1 PRO 24 16.325 2.452 6.805 170 HD2 PRO 24 HD2 PRO 24 16.656 5.098 7.189 171 HD3 PRO 24 HD1 PRO 24 17.287 4.271 5.752 172 H ALA 25 HN ALA 25 13.922 6.123 6.904 173 HA ALA 25 HA ALA 25 12.149 7.011 8.020 174 HB1 ALA 25 HB1 ALA 25 10.121 7.433 6.805 175 HB2 ALA 25 HB2 ALA 25 10.526 6.197 5.614 176 HB3 ALA 25 HB3 ALA 25 11.489 7.671 5.718 177 H GLU 26 HN GLU 26 9.572 6.352 8.412 178 HA GLU 26 HA GLU 26 9.172 3.528 8.670 179 HB2 GLU 26 HB2 GLU 26 10.161 5.125 10.974 180 HB3 GLU 26 HB1 GLU 26 8.889 3.954 11.296 181 HG2 GLU 26 HG2 GLU 26 10.496 2.370 9.922 182 HG3 GLU 26 HG1 GLU 26 11.706 3.525 10.478 183 H LEU 27 HN LEU 27 7.057 3.095 8.690 184 HA LEU 27 HA LEU 27 5.204 5.321 9.216 185 HB2 LEU 27 HB2 LEU 27 5.061 4.553 6.946 186 HB3 LEU 27 HB1 LEU 27 4.947 2.881 7.463 187 HG LEU 27 HG LEU 27 2.837 4.812 8.323 188 HD11 LEU 27 HD11 LEU 27 3.315 4.964 5.794 189 HD12 LEU 27 HD12 LEU 27 1.656 4.699 6.329 190 HD13 LEU 27 HD13 LEU 27 2.613 3.348 5.722 191 HD21 LEU 27 HD21 LEU 27 1.730 2.389 7.585 192 HD22 LEU 27 HD22 LEU 27 2.128 2.901 9.225 193 HD23 LEU 27 HD23 LEU 27 3.281 1.943 8.296 194 H THR 28 HN THR 28 4.419 5.182 11.221 195 HA THR 28 HA THR 28 3.913 2.548 12.392 196 HB THR 28 HB THR 28 3.603 5.163 13.839 197 HG1 THR 28 HG1 THR 28 5.639 5.506 13.566 198 HG21 THR 28 HG21 THR 28 4.895 2.894 15.147 199 HG22 THR 28 HG22 THR 28 3.214 2.617 14.691 200 HG23 THR 28 HG23 THR 28 3.633 3.980 15.729 201 H TRP 29 HN TRP 29 1.919 1.895 13.125 202 HA TRP 29 HA TRP 29 -0.367 3.654 12.569 203 HB2 TRP 29 HB2 TRP 29 -0.303 2.197 10.673 204 HB3 TRP 29 HB1 TRP 29 -0.020 0.786 11.686 205 HD1 TRP 29 HD1 TRP 29 -2.843 3.408 11.155 206 HE1 TRP 29 HE1 TRP 29 -5.098 2.202 11.444 207 HE3 TRP 29 HE3 TRP 29 -1.124 -1.243 12.402 208 HZ2 TRP 29 HZ2 TRP 29 -6.026 -0.379 12.113 209 HZ3 TRP 29 HZ3 TRP 29 -2.761 -3.024 12.852 210 HH2 TRP 29 HH2 TRP 29 -5.161 -2.599 12.710 211 H ARG 30 HN ARG 30 -1.371 3.974 14.435 212 HA ARG 30 HA ARG 30 -1.524 1.743 16.355 213 HB2 ARG 30 HB2 ARG 30 -1.693 3.413 18.128 214 HB3 ARG 30 HB1 ARG 30 -0.223 3.648 17.193 215 HG2 ARG 30 HG2 ARG 30 -1.090 5.551 16.113 216 HG3 ARG 30 HG1 ARG 30 -2.733 5.203 16.653 217 HD2 ARG 30 HD2 ARG 30 -2.035 5.603 18.975 218 HD3 ARG 30 HD1 ARG 30 -0.410 5.987 18.411 219 HE ARG 30 HE ARG 30 -2.726 7.684 18.313 220 HH11 ARG 30 HH11 ARG 30 0.389 7.016 16.889 221 HH12 ARG 30 HH12 ARG 30 0.601 8.627 16.292 222 HH21 ARG 30 HH21 ARG 30 -2.449 9.804 17.528 223 HH22 ARG 30 HH22 ARG 30 -1.010 10.210 16.655 224 H SER 31 HN SER 31 -3.478 1.157 17.173 225 HA SER 31 HA SER 31 -5.801 1.697 15.717 226 HB2 SER 31 HB2 SER 31 -6.991 0.598 17.640 227 HB3 SER 31 HB1 SER 31 -5.639 -0.334 16.998 228 HG SER 31 HG SER 31 -4.392 0.331 18.735 229 H THR 32 HN THR 32 -7.619 2.949 16.131 230 HA THR 32 HA THR 32 -7.193 5.501 17.192 231 HB THR 32 HB THR 32 -8.920 4.996 15.515 232 HG1 THR 32 HG1 THR 32 -9.891 6.115 17.930 233 HG21 THR 32 HG21 THR 32 -10.770 4.002 17.615 234 HG22 THR 32 HG22 THR 32 -9.668 2.866 16.838 235 HG23 THR 32 HG23 THR 32 -10.818 3.783 15.866 236 H ASP 33 HN ASP 33 -8.737 2.645 18.593 237 HA ASP 33 HA ASP 33 -9.536 3.954 20.999 238 HB2 ASP 33 HB2 ASP 33 -10.355 1.697 19.881 239 HB3 ASP 33 HB1 ASP 33 -9.103 0.999 20.904 240 H GLY 34 HN GLY 34 -7.022 1.493 20.373 241 HA2 GLY 34 HA2 GLY 34 -4.751 2.136 21.234 242 HA3 GLY 34 HA1 GLY 34 -5.579 2.547 22.728 243 H ASP 35 HN ASP 35 -4.437 -0.035 20.688 244 HA ASP 35 HA ASP 35 -3.984 -1.785 22.832 245 HB2 ASP 35 HB2 ASP 35 -5.673 -3.515 22.385 246 HB3 ASP 35 HB1 ASP 35 -6.424 -2.002 22.883 247 H LYS 36 HN LYS 36 -4.721 -1.525 19.387 248 HA LYS 36 HA LYS 36 -2.609 -3.510 18.853 249 HB2 LYS 36 HB2 LYS 36 -5.193 -3.669 18.047 250 HB3 LYS 36 HB1 LYS 36 -4.488 -2.821 16.678 251 HG2 LYS 36 HG2 LYS 36 -4.380 -5.096 16.131 252 HG3 LYS 36 HG1 LYS 36 -2.742 -4.657 16.619 253 HD2 LYS 36 HD2 LYS 36 -2.968 -5.724 18.707 254 HD3 LYS 36 HD1 LYS 36 -4.721 -5.840 18.548 255 HE2 LYS 36 HE2 LYS 36 -3.086 -7.173 16.469 256 HE3 LYS 36 HE1 LYS 36 -3.081 -7.896 18.077 257 HZ1 LYS 36 HZ1 LYS 36 -4.907 -8.919 17.291 258 HZ2 LYS 36 HZ2 LYS 36 -5.222 -7.736 16.123 259 HZ3 LYS 36 HZ3 LYS 36 -5.684 -7.481 17.730 260 H VAL 37 HN VAL 37 -0.871 -2.899 17.718 261 HA VAL 37 HA VAL 37 -0.969 -0.536 16.023 262 HB VAL 37 HB VAL 37 -0.368 0.367 18.229 263 HG11 VAL 37 HG11 VAL 37 0.896 -1.939 18.716 264 HG12 VAL 37 HG12 VAL 37 1.266 -0.442 19.573 265 HG13 VAL 37 HG13 VAL 37 2.276 -0.957 18.222 266 HG21 VAL 37 HG21 VAL 37 0.515 1.613 16.458 267 HG22 VAL 37 HG22 VAL 37 1.707 0.375 16.061 268 HG23 VAL 37 HG23 VAL 37 1.894 1.342 17.524 269 H HIS 38 HN HIS 38 0.377 -0.675 14.306 270 HA HIS 38 HA HIS 38 2.417 -2.796 14.322 271 HB2 HIS 38 HB2 HIS 38 0.316 -3.437 13.066 272 HB3 HIS 38 HB1 HIS 38 0.686 -2.140 11.935 273 HD1 HIS 38 HD1 HIS 38 2.345 -5.284 13.290 274 HD2 HIS 38 HD2 HIS 38 2.259 -2.921 9.873 275 HE1 HIS 38 HE1 HIS 38 3.767 -6.490 11.603 276 HE2 HIS 38 HE2 HIS 38 3.772 -4.997 9.573 277 H THR 39 HN THR 39 4.257 -2.426 13.050 278 HA THR 39 HA THR 39 4.532 0.305 11.985 279 HB THR 39 HB THR 39 6.890 -1.048 13.218 280 HG1 THR 39 HG1 THR 39 6.305 -0.207 15.239 281 HG21 THR 39 HG21 THR 39 6.802 1.274 12.027 282 HG22 THR 39 HG22 THR 39 7.758 1.045 13.492 283 HG23 THR 39 HG23 THR 39 6.172 1.812 13.584 284 H VAL 40 HN VAL 40 5.214 0.386 9.950 285 HA VAL 40 HA VAL 40 6.861 -1.796 8.892 286 HB VAL 40 HB VAL 40 4.558 -2.331 8.253 287 HG11 VAL 40 HG11 VAL 40 3.237 -0.886 6.859 288 HG12 VAL 40 HG12 VAL 40 4.539 0.302 6.785 289 HG13 VAL 40 HG13 VAL 40 3.707 -0.001 8.311 290 HG21 VAL 40 HG21 VAL 40 5.168 -3.033 6.204 291 HG22 VAL 40 HG22 VAL 40 6.730 -2.335 6.633 292 HG23 VAL 40 HG23 VAL 40 5.588 -1.409 5.659 293 H VAL 41 HN VAL 41 8.585 -1.021 7.874 294 HA VAL 41 HA VAL 41 9.030 1.740 7.516 295 HB VAL 41 HB VAL 41 10.859 0.127 7.844 296 HG11 VAL 41 HG11 VAL 41 11.398 -1.556 6.410 297 HG12 VAL 41 HG12 VAL 41 10.782 -0.701 4.996 298 HG13 VAL 41 HG13 VAL 41 9.662 -1.485 6.110 299 HG21 VAL 41 HG21 VAL 41 10.936 2.388 6.408 300 HG22 VAL 41 HG22 VAL 41 11.504 1.249 5.187 301 HG23 VAL 41 HG23 VAL 41 12.360 1.396 6.722 302 H LEU 42 HN LEU 42 8.949 3.051 5.741 303 HA LEU 42 HA LEU 42 7.207 2.218 3.602 304 HB2 LEU 42 HB2 LEU 42 8.617 4.816 4.195 305 HB3 LEU 42 HB1 LEU 42 7.590 4.578 2.794 306 HG LEU 42 HG LEU 42 6.741 4.465 5.688 307 HD11 LEU 42 HD11 LEU 42 5.363 6.397 5.070 308 HD12 LEU 42 HD12 LEU 42 6.072 6.377 3.456 309 HD13 LEU 42 HD13 LEU 42 7.084 6.719 4.859 310 HD21 LEU 42 HD21 LEU 42 5.197 3.020 4.934 311 HD22 LEU 42 HD22 LEU 42 5.491 3.429 3.244 312 HD23 LEU 42 HD23 LEU 42 4.448 4.454 4.231 313 H SER 43 HN SER 43 10.623 2.663 4.079 314 HA SER 43 HA SER 43 11.514 2.997 1.473 315 HB2 SER 43 HB2 SER 43 12.783 2.861 3.804 316 HB3 SER 43 HB1 SER 43 13.067 1.201 3.281 317 HG SER 43 HG SER 43 14.389 1.894 1.785 318 H THR 44 HN THR 44 10.439 0.098 3.124 319 HA THR 44 HA THR 44 11.409 -1.815 1.317 320 HB THR 44 HB THR 44 9.422 -3.190 2.193 321 HG1 THR 44 HG1 THR 44 8.072 -2.260 3.504 322 HG21 THR 44 HG21 THR 44 11.631 -2.091 3.836 323 HG22 THR 44 HG22 THR 44 11.299 -3.752 3.343 324 HG23 THR 44 HG23 THR 44 10.362 -3.013 4.642 325 H ILE 45 HN ILE 45 8.664 0.323 1.171 326 HA ILE 45 HA ILE 45 7.133 -1.002 -0.770 327 HB ILE 45 HB ILE 45 7.384 1.989 -0.432 328 HG12 ILE 45 HG12 ILE 45 6.889 0.980 1.722 329 HG13 ILE 45 HG11 ILE 45 5.440 1.763 1.098 330 HG21 ILE 45 HG21 ILE 45 5.196 0.257 -1.573 331 HG22 ILE 45 HG22 ILE 45 6.225 1.385 -2.457 332 HG23 ILE 45 HG23 ILE 45 5.060 1.991 -1.280 333 HD11 ILE 45 HD11 ILE 45 6.039 -1.136 1.416 334 HD12 ILE 45 HD12 ILE 45 4.886 -0.609 0.190 335 HD13 ILE 45 HD13 ILE 45 4.607 -0.221 1.888 336 H ASP 46 HN ASP 46 6.932 -0.625 -3.027 337 HA ASP 46 HA ASP 46 9.359 0.458 -4.301 338 HB2 ASP 46 HB2 ASP 46 9.052 -2.115 -4.289 339 HB3 ASP 46 HB1 ASP 46 7.794 -1.820 -5.486 340 H LYS 47 HN LYS 47 5.917 -0.289 -4.714 341 HA LYS 47 HA LYS 47 5.731 2.005 -6.542 342 HB2 LYS 47 HB2 LYS 47 5.320 0.501 -8.171 343 HB3 LYS 47 HB1 LYS 47 5.026 -0.797 -7.026 344 HG2 LYS 47 HG2 LYS 47 2.746 -0.036 -6.709 345 HG3 LYS 47 HG1 LYS 47 3.031 1.323 -7.799 346 HD2 LYS 47 HD2 LYS 47 3.259 -0.100 -9.671 347 HD3 LYS 47 HD1 LYS 47 3.406 -1.536 -8.656 348 HE2 LYS 47 HE2 LYS 47 1.229 -1.779 -9.235 349 HE3 LYS 47 HE1 LYS 47 0.998 -0.703 -7.857 350 HZ1 LYS 47 HZ1 LYS 47 1.418 0.492 -10.499 351 HZ2 LYS 47 HZ2 LYS 47 0.501 1.056 -9.195 352 HZ3 LYS 47 HZ3 LYS 47 -0.091 -0.196 -10.166 353 H LEU 48 HN LEU 48 3.525 2.907 -6.689 354 HA LEU 48 HA LEU 48 1.978 2.467 -4.222 355 HB2 LEU 48 HB2 LEU 48 2.999 4.995 -5.423 356 HB3 LEU 48 HB1 LEU 48 1.433 5.031 -4.634 357 HG LEU 48 HG LEU 48 3.638 3.791 -3.096 358 HD11 LEU 48 HD11 LEU 48 4.894 5.633 -2.729 359 HD12 LEU 48 HD12 LEU 48 3.538 6.738 -2.950 360 HD13 LEU 48 HD13 LEU 48 4.348 6.045 -4.355 361 HD21 LEU 48 HD21 LEU 48 2.520 4.826 -1.251 362 HD22 LEU 48 HD22 LEU 48 1.299 4.074 -2.278 363 HD23 LEU 48 HD23 LEU 48 1.544 5.819 -2.334 364 H GLN 49 HN GLN 49 -0.171 2.245 -4.459 365 HA GLN 49 HA GLN 49 -1.520 3.212 -6.834 366 HB2 GLN 49 HB2 GLN 49 -0.535 0.879 -7.309 367 HB3 GLN 49 HB1 GLN 49 -1.758 0.281 -6.197 368 HG2 GLN 49 HG2 GLN 49 -2.721 0.028 -8.295 369 HG3 GLN 49 HG1 GLN 49 -3.444 1.508 -7.667 370 HE21 GLN 49 HE21 GLN 49 -2.782 0.386 -10.429 371 HE22 GLN 49 HE22 GLN 49 -2.011 1.708 -11.229 372 H ALA 50 HN ALA 50 -3.682 3.563 -6.517 373 HA ALA 50 HA ALA 50 -4.974 2.487 -4.136 374 HB1 ALA 50 HB1 ALA 50 -5.507 4.539 -3.149 375 HB2 ALA 50 HB2 ALA 50 -5.050 5.452 -4.586 376 HB3 ALA 50 HB3 ALA 50 -3.807 4.697 -3.590 377 H THR 51 HN THR 51 -7.323 3.138 -4.066 378 HA THR 51 HA THR 51 -8.498 2.616 -6.617 379 HB THR 51 HB THR 51 -10.587 2.541 -5.466 380 HG1 THR 51 HG1 THR 51 -10.956 3.982 -4.011 381 HG21 THR 51 HG21 THR 51 -8.945 0.740 -4.866 382 HG22 THR 51 HG22 THR 51 -10.240 1.018 -3.701 383 HG23 THR 51 HG23 THR 51 -8.620 1.642 -3.386 384 HA PRO 52 HA PRO 52 -9.262 6.704 -8.073 385 HB2 PRO 52 HB2 PRO 52 -11.641 6.402 -9.349 386 HB3 PRO 52 HB1 PRO 52 -10.120 5.770 -9.988 387 HG2 PRO 52 HG2 PRO 52 -12.279 4.345 -8.481 388 HG3 PRO 52 HG1 PRO 52 -11.373 3.812 -9.910 389 HD2 PRO 52 HD2 PRO 52 -10.780 2.954 -7.414 390 HD3 PRO 52 HD1 PRO 52 -9.539 3.173 -8.665 391 H ALA 53 HN ALA 53 -10.563 8.578 -7.787 392 HA ALA 53 HA ALA 53 -11.739 8.829 -5.248 393 HB1 ALA 53 HB1 ALA 53 -10.718 10.707 -6.430 394 HB2 ALA 53 HB2 ALA 53 -12.378 11.075 -5.958 395 HB3 ALA 53 HB3 ALA 53 -12.008 10.658 -7.632 396 H SER 54 HN SER 54 -13.082 8.067 -8.376 397 HA SER 54 HA SER 54 -15.793 8.619 -7.789 398 HB2 SER 54 HB2 SER 54 -14.589 6.677 -9.776 399 HB3 SER 54 HB1 SER 54 -16.282 7.169 -9.742 400 HG SER 54 HG SER 54 -14.161 9.028 -9.959 401 H SER 55 HN SER 55 -13.718 5.886 -7.155 402 HA SER 55 HA SER 55 -15.655 3.932 -6.636 403 HB2 SER 55 HB2 SER 55 -13.372 3.251 -6.840 404 HB3 SER 55 HB1 SER 55 -12.869 4.324 -5.534 405 HG SER 55 HG SER 55 -13.753 1.796 -5.392 406 H GLU 56 HN GLU 56 -17.113 3.722 -5.075 407 HA GLU 56 HA GLU 56 -17.538 5.664 -3.103 408 HB2 GLU 56 HB2 GLU 56 -18.637 2.964 -3.691 409 HB3 GLU 56 HB1 GLU 56 -18.927 3.618 -2.085 410 HG2 GLU 56 HG2 GLU 56 -19.477 5.430 -4.343 411 HG3 GLU 56 HG1 GLU 56 -20.543 4.035 -4.181 412 H LYS 57 HN LYS 57 -15.687 2.703 -3.073 413 HA LYS 57 HA LYS 57 -15.205 2.954 -0.197 414 HB2 LYS 57 HB2 LYS 57 -13.972 0.762 -0.536 415 HB3 LYS 57 HB1 LYS 57 -15.709 0.723 -0.807 416 HG2 LYS 57 HG2 LYS 57 -14.021 1.261 -3.169 417 HG3 LYS 57 HG1 LYS 57 -13.937 -0.363 -2.483 418 HD2 LYS 57 HD2 LYS 57 -16.647 0.752 -2.798 419 HD3 LYS 57 HD1 LYS 57 -15.779 0.418 -4.298 420 HE2 LYS 57 HE2 LYS 57 -15.624 -1.698 -2.263 421 HE3 LYS 57 HE1 LYS 57 -17.234 -1.412 -2.923 422 HZ1 LYS 57 HZ1 LYS 57 -15.823 -1.450 -5.158 423 HZ2 LYS 57 HZ2 LYS 57 -16.488 -2.847 -4.476 424 HZ3 LYS 57 HZ3 LYS 57 -14.857 -2.477 -4.222 425 H MET 58 HN MET 58 -13.777 4.612 0.048 426 HA MET 58 HA MET 58 -11.494 4.944 -1.652 427 HB2 MET 58 HB2 MET 58 -11.881 6.209 1.055 428 HB3 MET 58 HB1 MET 58 -10.947 6.820 -0.304 429 HG2 MET 58 HG2 MET 58 -12.727 8.105 -0.683 430 HG3 MET 58 HG1 MET 58 -13.427 6.652 -1.395 431 HE1 MET 58 HE1 MET 58 -14.163 8.365 2.763 432 HE2 MET 58 HE2 MET 58 -12.662 8.373 1.838 433 HE3 MET 58 HE3 MET 58 -13.123 6.941 2.757 434 H MET 59 HN MET 59 -9.747 3.709 -1.566 435 HA MET 59 HA MET 59 -8.542 3.074 0.995 436 HB2 MET 59 HB2 MET 59 -9.318 0.893 -0.950 437 HB3 MET 59 HB1 MET 59 -8.360 0.670 0.507 438 HG2 MET 59 HG2 MET 59 -10.313 1.507 1.819 439 HG3 MET 59 HG1 MET 59 -11.249 1.479 0.326 440 HE1 MET 59 HE1 MET 59 -11.418 -0.338 -1.144 441 HE2 MET 59 HE2 MET 59 -12.634 -1.271 -0.273 442 HE3 MET 59 HE3 MET 59 -11.149 -2.050 -0.820 443 H LEU 60 HN LEU 60 -6.339 2.562 0.859 444 HA LEU 60 HA LEU 60 -5.135 3.130 -1.767 445 HB2 LEU 60 HB2 LEU 60 -4.767 4.525 0.506 446 HB3 LEU 60 HB1 LEU 60 -3.494 3.334 0.688 447 HG LEU 60 HG LEU 60 -2.946 4.090 -1.807 448 HD11 LEU 60 HD11 LEU 60 -3.826 6.709 -0.683 449 HD12 LEU 60 HD12 LEU 60 -4.977 5.704 -1.563 450 HD13 LEU 60 HD13 LEU 60 -3.501 6.254 -2.355 451 HD21 LEU 60 HD21 LEU 60 -2.116 5.863 0.468 452 HD22 LEU 60 HD22 LEU 60 -1.178 5.354 -0.936 453 HD23 LEU 60 HD23 LEU 60 -1.560 4.194 0.337 454 H ARG 61 HN ARG 61 -3.046 2.068 -2.202 455 HA ARG 61 HA ARG 61 -2.656 -0.466 -0.792 456 HB2 ARG 61 HB2 ARG 61 -4.121 -0.989 -2.682 457 HB3 ARG 61 HB1 ARG 61 -2.985 -0.229 -3.788 458 HG2 ARG 61 HG2 ARG 61 -1.741 -2.065 -3.923 459 HG3 ARG 61 HG1 ARG 61 -1.720 -2.274 -2.171 460 HD2 ARG 61 HD2 ARG 61 -4.264 -2.986 -2.710 461 HD3 ARG 61 HD1 ARG 61 -3.479 -3.478 -4.210 462 HE ARG 61 HE ARG 61 -2.117 -4.370 -1.840 463 HH11 ARG 61 HH11 ARG 61 -4.635 -5.102 -4.143 464 HH12 ARG 61 HH12 ARG 61 -4.586 -6.807 -3.843 465 HH21 ARG 61 HH21 ARG 61 -2.051 -6.612 -1.444 466 HH22 ARG 61 HH22 ARG 61 -3.119 -7.664 -2.311 467 H LEU 62 HN LEU 62 -0.566 -1.140 -0.688 468 HA LEU 62 HA LEU 62 1.435 0.462 -2.140 469 HB2 LEU 62 HB2 LEU 62 1.703 -0.608 0.670 470 HB3 LEU 62 HB1 LEU 62 2.891 0.348 -0.196 471 HG LEU 62 HG LEU 62 0.156 1.460 0.321 472 HD11 LEU 62 HD11 LEU 62 0.562 1.984 2.479 473 HD12 LEU 62 HD12 LEU 62 2.302 2.126 2.233 474 HD13 LEU 62 HD13 LEU 62 1.563 0.534 2.407 475 HD21 LEU 62 HD21 LEU 62 1.060 3.448 -0.267 476 HD22 LEU 62 HD22 LEU 62 2.183 2.410 -1.146 477 HD23 LEU 62 HD23 LEU 62 2.635 3.064 0.428 478 H ILE 63 HN ILE 63 2.951 -0.651 -3.220 479 HA ILE 63 HA ILE 63 3.016 -3.572 -2.839 480 HB ILE 63 HB ILE 63 3.925 -2.115 -5.314 481 HG12 ILE 63 HG12 ILE 63 1.567 -1.596 -4.995 482 HG13 ILE 63 HG11 ILE 63 1.748 -2.749 -6.314 483 HG21 ILE 63 HG21 ILE 63 3.550 -4.949 -4.507 484 HG22 ILE 63 HG22 ILE 63 4.817 -4.208 -5.485 485 HG23 ILE 63 HG23 ILE 63 3.227 -4.510 -6.185 486 HD11 ILE 63 HD11 ILE 63 1.069 -4.558 -4.856 487 HD12 ILE 63 HD12 ILE 63 -0.146 -3.279 -4.866 488 HD13 ILE 63 HD13 ILE 63 0.953 -3.441 -3.496 489 H GLY 64 HN GLY 64 4.847 -4.487 -2.163 490 HA2 GLY 64 HA2 GLY 64 7.137 -2.836 -1.591 491 HA3 GLY 64 HA1 GLY 64 6.968 -4.548 -1.233 492 H LYS 65 HN LYS 65 9.369 -3.875 -2.046 493 HA LYS 65 HA LYS 65 9.650 -3.964 -4.911 494 HB2 LYS 65 HB2 LYS 65 11.813 -4.364 -2.844 495 HB3 LYS 65 HB1 LYS 65 12.012 -3.868 -4.519 496 HG2 LYS 65 HG2 LYS 65 11.158 -1.727 -4.105 497 HG3 LYS 65 HG1 LYS 65 10.464 -2.212 -2.557 498 HD2 LYS 65 HD2 LYS 65 12.492 -2.140 -1.472 499 HD3 LYS 65 HD1 LYS 65 13.412 -2.433 -2.949 500 HE2 LYS 65 HE2 LYS 65 12.065 0.120 -2.091 501 HE3 LYS 65 HE1 LYS 65 13.792 -0.171 -2.295 502 HZ1 LYS 65 HZ1 LYS 65 13.123 -0.692 -4.716 503 HZ2 LYS 65 HZ2 LYS 65 13.229 0.923 -4.225 504 HZ3 LYS 65 HZ3 LYS 65 11.717 0.178 -4.354 505 H VAL 66 HN VAL 66 10.548 -5.650 -6.132 506 HA VAL 66 HA VAL 66 9.913 -8.292 -5.121 507 HB VAL 66 HB VAL 66 11.012 -7.578 -7.840 508 HG11 VAL 66 HG11 VAL 66 9.825 -9.695 -8.473 509 HG12 VAL 66 HG12 VAL 66 9.577 -9.992 -6.752 510 HG13 VAL 66 HG13 VAL 66 11.213 -9.911 -7.407 511 HG21 VAL 66 HG21 VAL 66 8.833 -7.302 -8.660 512 HG22 VAL 66 HG22 VAL 66 8.859 -6.385 -7.154 513 HG23 VAL 66 HG23 VAL 66 8.105 -7.978 -7.203 514 H ASP 67 HN ASP 67 11.403 -10.099 -5.365 515 HA ASP 67 HA ASP 67 14.108 -9.321 -4.588 516 HB2 ASP 67 HB2 ASP 67 12.433 -11.185 -3.540 517 HB3 ASP 67 HB1 ASP 67 13.387 -12.186 -4.630 518 H GLU 68 HN GLU 68 14.958 -8.733 -6.604 519 HA GLU 68 HA GLU 68 15.044 -10.765 -8.697 520 HB2 GLU 68 HB2 GLU 68 15.611 -7.837 -8.567 521 HB3 GLU 68 HB1 GLU 68 16.402 -8.787 -9.818 522 HG2 GLU 68 HG2 GLU 68 13.430 -8.804 -9.385 523 HG3 GLU 68 HG1 GLU 68 14.243 -7.672 -10.465 524 H SER 69 HN SER 69 16.411 -11.601 -6.500 525 HA SER 69 HA SER 69 19.209 -11.412 -7.393 526 HB2 SER 69 HB2 SER 69 19.787 -11.783 -4.914 527 HB3 SER 69 HB1 SER 69 19.225 -10.178 -5.381 528 HG SER 69 HG SER 69 17.713 -12.236 -4.146 529 H LYS 70 HN LYS 70 16.836 -13.325 -5.577 530 HA LYS 70 HA LYS 70 18.386 -15.747 -6.182 531 HB2 LYS 70 HB2 LYS 70 16.089 -15.468 -4.242 532 HB3 LYS 70 HB1 LYS 70 17.199 -16.824 -4.389 533 HG2 LYS 70 HG2 LYS 70 18.283 -14.124 -3.751 534 HG3 LYS 70 HG1 LYS 70 17.489 -15.064 -2.486 535 HD2 LYS 70 HD2 LYS 70 19.057 -16.977 -3.347 536 HD3 LYS 70 HD1 LYS 70 20.010 -15.634 -3.981 537 HE2 LYS 70 HE2 LYS 70 20.661 -14.955 -1.929 538 HE3 LYS 70 HE1 LYS 70 19.110 -15.355 -1.190 539 HZ1 LYS 70 HZ1 LYS 70 20.885 -16.766 -0.356 540 HZ2 LYS 70 HZ2 LYS 70 21.227 -17.307 -1.922 541 HZ3 LYS 70 HZ3 LYS 70 19.744 -17.685 -1.203 542 H LYS 71 HN LYS 71 15.124 -14.382 -6.324 543 HA LYS 71 HA LYS 71 13.855 -16.588 -7.509 544 HB2 LYS 71 HB2 LYS 71 12.542 -14.839 -6.513 545 HB3 LYS 71 HB1 LYS 71 13.226 -13.635 -7.595 546 HG2 LYS 71 HG2 LYS 71 11.720 -15.941 -8.736 547 HG3 LYS 71 HG1 LYS 71 10.842 -14.589 -8.019 548 HD2 LYS 71 HD2 LYS 71 12.952 -13.665 -9.767 549 HD3 LYS 71 HD1 LYS 71 11.849 -14.752 -10.614 550 HE2 LYS 71 HE2 LYS 71 10.117 -13.305 -10.490 551 HE3 LYS 71 HE1 LYS 71 10.583 -12.721 -8.893 552 HZ1 LYS 71 HZ1 LYS 71 10.943 -10.916 -10.280 553 HZ2 LYS 71 HZ2 LYS 71 11.581 -11.857 -11.532 554 HZ3 LYS 71 HZ3 LYS 71 12.490 -11.586 -10.132 555 H ARG 72 HN ARG 72 13.181 -16.905 -9.696 556 HA ARG 72 HA ARG 72 14.748 -15.473 -11.722 557 HB2 ARG 72 HB2 ARG 72 14.767 -18.392 -11.133 558 HB3 ARG 72 HB1 ARG 72 14.834 -17.897 -12.819 559 HG2 ARG 72 HG2 ARG 72 17.046 -17.872 -12.466 560 HG3 ARG 72 HG1 ARG 72 16.725 -16.287 -11.760 561 HD2 ARG 72 HD2 ARG 72 17.207 -16.987 -9.685 562 HD3 ARG 72 HD1 ARG 72 16.340 -18.507 -9.897 563 HE ARG 72 HE ARG 72 19.142 -18.094 -10.141 564 HH11 ARG 72 HH11 ARG 72 16.489 -19.960 -11.429 565 HH12 ARG 72 HH12 ARG 72 17.491 -21.288 -11.907 566 HH21 ARG 72 HH21 ARG 72 20.462 -19.841 -10.769 567 HH22 ARG 72 HH22 ARG 72 19.747 -21.222 -11.532 568 H LYS 73 HN LYS 73 13.633 -14.958 -13.509 569 HA LYS 73 HA LYS 73 10.931 -16.107 -13.804 570 HB2 LYS 73 HB2 LYS 73 10.479 -13.934 -15.082 571 HB3 LYS 73 HB1 LYS 73 10.638 -13.821 -13.335 572 HG2 LYS 73 HG2 LYS 73 12.546 -12.615 -13.447 573 HG3 LYS 73 HG1 LYS 73 13.106 -13.431 -14.909 574 HD2 LYS 73 HD2 LYS 73 10.936 -12.123 -15.862 575 HD3 LYS 73 HD1 LYS 73 11.462 -11.007 -14.600 576 HE2 LYS 73 HE2 LYS 73 13.550 -12.096 -16.396 577 HE3 LYS 73 HE1 LYS 73 12.420 -10.936 -17.093 578 HZ1 LYS 73 HZ1 LYS 73 12.985 -9.522 -15.063 579 HZ2 LYS 73 HZ2 LYS 73 14.150 -9.639 -16.283 580 HZ3 LYS 73 HZ3 LYS 73 14.318 -10.546 -14.865 581 H ASP 74 HN ASP 74 12.725 -17.663 -14.887 582 HA ASP 74 HA ASP 74 13.673 -18.532 -16.789 583 HB2 ASP 74 HB2 ASP 74 10.955 -18.496 -16.921 584 HB3 ASP 74 HB1 ASP 74 11.372 -17.686 -18.428 585 H ASN 75 HN ASN 75 13.308 -17.923 -19.496 586 HA ASN 75 HA ASN 75 14.709 -15.339 -19.688 587 HB2 ASN 75 HB2 ASN 75 15.678 -16.286 -21.812 588 HB3 ASN 75 HB1 ASN 75 16.187 -17.109 -20.340 589 HD21 ASN 75 HD21 ASN 75 14.335 -17.328 -23.257 590 HD22 ASN 75 HD22 ASN 75 14.036 -19.028 -23.185 591 H GLU 76 HN GLU 76 12.149 -17.342 -20.965 592 HA GLU 76 HA GLU 76 10.974 -15.013 -22.247 593 HB2 GLU 76 HB2 GLU 76 12.009 -17.391 -23.706 594 HB3 GLU 76 HB1 GLU 76 10.473 -16.722 -24.239 595 HG2 GLU 76 HG2 GLU 76 12.674 -14.801 -23.829 596 HG3 GLU 76 HG1 GLU 76 12.836 -15.917 -25.184 597 H GLY 77 HN GLY 77 9.631 -15.443 -20.311 598 HA2 GLY 77 HA2 GLY 77 7.141 -16.393 -20.867 599 HA3 GLY 77 HA1 GLY 77 7.993 -17.811 -20.273 600 H ASN 78 HN ASN 78 9.650 -16.135 -18.467 601 HA ASN 78 HA ASN 78 9.631 -15.278 -16.360 602 HB2 ASN 78 HB2 ASN 78 6.671 -14.791 -16.647 603 HB3 ASN 78 HB1 ASN 78 7.807 -13.974 -15.579 604 HD21 ASN 78 HD21 ASN 78 6.388 -14.062 -18.677 605 HD22 ASN 78 HD22 ASN 78 7.215 -12.703 -19.349 606 H GLU 79 HN GLU 79 10.077 -17.050 -15.195 607 HA GLU 79 HA GLU 79 7.836 -18.699 -14.289 608 HB2 GLU 79 HB2 GLU 79 9.368 -20.522 -13.976 609 HB3 GLU 79 HB1 GLU 79 9.579 -19.886 -15.600 610 HG2 GLU 79 HG2 GLU 79 11.719 -19.466 -15.238 611 HG3 GLU 79 HG1 GLU 79 11.357 -18.571 -13.763 612 H VAL 80 HN VAL 80 7.791 -16.573 -12.886 613 HA VAL 80 HA VAL 80 9.618 -16.355 -10.732 614 HB VAL 80 HB VAL 80 6.759 -15.406 -10.675 615 HG11 VAL 80 HG11 VAL 80 7.654 -14.989 -8.592 616 HG12 VAL 80 HG12 VAL 80 8.021 -13.488 -9.442 617 HG13 VAL 80 HG13 VAL 80 9.275 -14.709 -9.228 618 HG21 VAL 80 HG21 VAL 80 8.018 -13.229 -11.534 619 HG22 VAL 80 HG22 VAL 80 7.326 -14.412 -12.644 620 HG23 VAL 80 HG23 VAL 80 9.053 -14.441 -12.290 621 H VAL 81 HN VAL 81 9.721 -17.386 -8.834 622 HA VAL 81 HA VAL 81 7.820 -19.526 -8.325 623 HB VAL 81 HB VAL 81 10.161 -18.894 -6.552 624 HG11 VAL 81 HG11 VAL 81 9.853 -20.956 -5.697 625 HG12 VAL 81 HG12 VAL 81 9.402 -21.651 -7.254 626 HG13 VAL 81 HG13 VAL 81 8.216 -20.741 -6.318 627 HG21 VAL 81 HG21 VAL 81 10.201 -20.234 -9.242 628 HG22 VAL 81 HG22 VAL 81 11.426 -20.552 -8.014 629 HG23 VAL 81 HG23 VAL 81 11.221 -18.921 -8.653 630 HA PRO 82 HA PRO 82 7.075 -16.925 -4.433 631 HB2 PRO 82 HB2 PRO 82 8.471 -14.707 -3.927 632 HB3 PRO 82 HB1 PRO 82 9.184 -16.305 -3.684 633 HG2 PRO 82 HG2 PRO 82 9.646 -14.336 -5.860 634 HG3 PRO 82 HG1 PRO 82 10.768 -15.500 -5.137 635 HD2 PRO 82 HD2 PRO 82 9.321 -15.795 -7.552 636 HD3 PRO 82 HD1 PRO 82 10.272 -17.038 -6.721 637 H LYS 83 HN LYS 83 6.651 -14.279 -3.851 638 HA LYS 83 HA LYS 83 5.448 -13.007 -6.176 639 HB2 LYS 83 HB2 LYS 83 3.913 -14.155 -3.878 640 HB3 LYS 83 HB1 LYS 83 3.330 -12.686 -4.648 641 HG2 LYS 83 HG2 LYS 83 4.023 -14.768 -6.559 642 HG3 LYS 83 HG1 LYS 83 2.762 -15.255 -5.425 643 HD2 LYS 83 HD2 LYS 83 2.637 -12.611 -6.835 644 HD3 LYS 83 HD1 LYS 83 2.067 -14.087 -7.618 645 HE2 LYS 83 HE2 LYS 83 0.114 -13.561 -6.630 646 HE3 LYS 83 HE1 LYS 83 0.855 -14.301 -5.212 647 HZ1 LYS 83 HZ1 LYS 83 1.139 -12.311 -4.208 648 HZ2 LYS 83 HZ2 LYS 83 -0.179 -11.878 -5.175 649 HZ3 LYS 83 HZ3 LYS 83 1.391 -11.469 -5.654 650 HA PRO 84 HA PRO 84 6.767 -9.375 -4.038 651 HB2 PRO 84 HB2 PRO 84 5.178 -7.509 -5.181 652 HB3 PRO 84 HB1 PRO 84 6.508 -8.284 -6.049 653 HG2 PRO 84 HG2 PRO 84 3.578 -8.892 -6.142 654 HG3 PRO 84 HG1 PRO 84 4.742 -8.788 -7.476 655 HD2 PRO 84 HD2 PRO 84 3.931 -11.149 -6.406 656 HD3 PRO 84 HD1 PRO 84 5.545 -10.913 -7.105 657 H GLN 85 HN GLN 85 6.127 -7.815 -2.476 658 HA GLN 85 HA GLN 85 3.875 -8.659 -0.880 659 HB2 GLN 85 HB2 GLN 85 6.187 -6.818 -0.523 660 HB3 GLN 85 HB1 GLN 85 4.760 -6.529 0.464 661 HG2 GLN 85 HG2 GLN 85 5.140 -8.312 1.757 662 HG3 GLN 85 HG1 GLN 85 5.627 -9.321 0.396 663 HE21 GLN 85 HE21 GLN 85 7.632 -9.995 0.513 664 HE22 GLN 85 HE22 GLN 85 8.958 -9.152 1.232 665 H ARG 86 HN ARG 86 2.018 -7.524 -0.458 666 HA ARG 86 HA ARG 86 1.641 -4.890 -1.631 667 HB2 ARG 86 HB2 ARG 86 -0.305 -7.092 -2.303 668 HB3 ARG 86 HB1 ARG 86 -0.239 -5.466 -2.969 669 HG2 ARG 86 HG2 ARG 86 2.008 -6.089 -3.938 670 HG3 ARG 86 HG1 ARG 86 1.638 -7.753 -3.483 671 HD2 ARG 86 HD2 ARG 86 0.115 -7.999 -5.127 672 HD3 ARG 86 HD1 ARG 86 -0.486 -6.350 -4.958 673 HE ARG 86 HE ARG 86 2.131 -6.515 -6.136 674 HH11 ARG 86 HH11 ARG 86 -1.300 -6.603 -6.765 675 HH12 ARG 86 HH12 ARG 86 -1.136 -6.119 -8.420 676 HH21 ARG 86 HH21 ARG 86 2.349 -5.878 -8.312 677 HH22 ARG 86 HH22 ARG 86 0.936 -5.708 -9.298 678 H HIS 87 HN HIS 87 0.984 -3.796 0.104 679 HA HIS 87 HA HIS 87 -1.095 -5.004 1.810 680 HB2 HIS 87 HB2 HIS 87 1.140 -3.097 2.497 681 HB3 HIS 87 HB1 HIS 87 -0.229 -3.377 3.567 682 HD1 HIS 87 HD1 HIS 87 -0.539 -6.026 4.244 683 HD2 HIS 87 HD2 HIS 87 3.197 -4.814 2.887 684 HE1 HIS 87 HE1 HIS 87 1.064 -7.809 5.005 685 HE2 HIS 87 HE2 HIS 87 3.330 -7.009 4.249 686 H MET 88 HN MET 88 -2.941 -3.881 2.187 687 HA MET 88 HA MET 88 -3.140 -1.191 1.000 688 HB2 MET 88 HB2 MET 88 -5.568 -1.794 0.557 689 HB3 MET 88 HB1 MET 88 -4.370 -2.586 -0.456 690 HG2 MET 88 HG2 MET 88 -5.867 -4.274 0.098 691 HG3 MET 88 HG1 MET 88 -4.507 -4.526 1.189 692 HE1 MET 88 HE1 MET 88 -7.381 -1.813 1.384 693 HE2 MET 88 HE2 MET 88 -8.540 -2.650 2.418 694 HE3 MET 88 HE3 MET 88 -8.184 -3.274 0.807 695 H PHE 89 HN PHE 89 -4.518 0.295 2.021 696 HA PHE 89 HA PHE 89 -5.404 -0.459 4.726 697 HB2 PHE 89 HB2 PHE 89 -4.074 2.142 3.935 698 HB3 PHE 89 HB1 PHE 89 -4.703 1.757 5.533 699 HD1 PHE 89 HD1 PHE 89 -3.737 -0.508 6.539 700 HD2 PHE 89 HD2 PHE 89 -1.826 1.883 3.583 701 HE1 PHE 89 HE1 PHE 89 -1.565 -1.482 7.162 702 HE2 PHE 89 HE2 PHE 89 0.350 0.913 4.199 703 HZ PHE 89 HZ PHE 89 0.482 -0.772 5.990 704 H SER 90 HN SER 90 -7.344 0.359 5.399 705 HA SER 90 HA SER 90 -8.991 1.582 3.327 706 HB2 SER 90 HB2 SER 90 -10.686 1.189 5.425 707 HB3 SER 90 HB1 SER 90 -10.352 -0.017 4.183 708 HG SER 90 HG SER 90 -10.101 -0.794 6.360 709 H PHE 91 HN PHE 91 -9.517 3.665 3.309 710 HA PHE 91 HA PHE 91 -9.033 5.243 5.751 711 HB2 PHE 91 HB2 PHE 91 -8.834 6.066 2.848 712 HB3 PHE 91 HB1 PHE 91 -8.706 7.182 4.204 713 HD1 PHE 91 HD2 PHE 91 -7.152 4.163 2.709 714 HD2 PHE 91 HD1 PHE 91 -6.662 7.534 5.259 715 HE1 PHE 91 HE2 PHE 91 -4.740 3.696 2.856 716 HE2 PHE 91 HE1 PHE 91 -4.249 7.074 5.411 717 HZ PHE 91 HZ PHE 91 -3.286 5.153 4.209 718 H ASN 92 HN ASN 92 -10.352 7.347 5.737 719 HA ASN 92 HA ASN 92 -13.077 6.816 4.756 720 HB2 ASN 92 HB2 ASN 92 -12.452 6.588 7.363 721 HB3 ASN 92 HB1 ASN 92 -12.785 8.317 7.300 722 HD21 ASN 92 HD21 ASN 92 -14.826 8.636 5.695 723 HD22 ASN 92 HD22 ASN 92 -16.210 7.741 6.211 724 H ASN 93 HN ASN 93 -10.957 8.453 3.613 725 HA ASN 93 HA ASN 93 -12.459 10.759 2.998 726 HB2 ASN 93 HB2 ASN 93 -11.279 11.094 5.407 727 HB3 ASN 93 HB1 ASN 93 -9.985 11.660 4.355 728 HD21 ASN 93 HD21 ASN 93 -10.169 13.592 3.356 729 HD22 ASN 93 HD22 ASN 93 -11.505 14.667 3.565 730 H ARG 94 HN ARG 94 -11.801 11.546 1.083 731 HA ARG 94 HA ARG 94 -9.671 10.258 -0.298 732 HB2 ARG 94 HB2 ARG 94 -10.230 11.831 -2.137 733 HB3 ARG 94 HB1 ARG 94 -11.629 10.964 -1.519 734 HG2 ARG 94 HG2 ARG 94 -12.593 12.835 -0.675 735 HG3 ARG 94 HG1 ARG 94 -11.046 13.610 -0.326 736 HD2 ARG 94 HD2 ARG 94 -10.955 13.510 -3.025 737 HD3 ARG 94 HD1 ARG 94 -12.692 13.667 -2.769 738 HE ARG 94 HE ARG 94 -10.682 15.670 -2.314 739 HH11 ARG 94 HH11 ARG 94 -13.885 14.586 -1.452 740 HH12 ARG 94 HH12 ARG 94 -14.418 16.155 -0.952 741 HH21 ARG 94 HH21 ARG 94 -11.381 17.736 -1.657 742 HH22 ARG 94 HH22 ARG 94 -12.997 17.944 -1.069 743 H THR 95 HN THR 95 -10.020 13.302 1.384 744 HA THR 95 HA THR 95 -7.695 14.555 0.358 745 HB THR 95 HB THR 95 -8.817 15.094 3.095 746 HG1 THR 95 HG1 THR 95 -10.414 16.331 2.129 747 HG21 THR 95 HG21 THR 95 -7.060 16.550 2.721 748 HG22 THR 95 HG22 THR 95 -8.471 17.484 2.225 749 HG23 THR 95 HG23 THR 95 -7.442 16.729 1.008 750 H VAL 96 HN VAL 96 -8.307 12.778 3.380 751 HA VAL 96 HA VAL 96 -5.646 12.944 4.331 752 HB VAL 96 HB VAL 96 -7.666 10.811 5.025 753 HG11 VAL 96 HG11 VAL 96 -6.339 10.236 6.754 754 HG12 VAL 96 HG12 VAL 96 -5.806 11.893 7.036 755 HG13 VAL 96 HG13 VAL 96 -5.071 10.938 5.748 756 HG21 VAL 96 HG21 VAL 96 -8.764 12.913 5.320 757 HG22 VAL 96 HG22 VAL 96 -7.348 13.604 6.111 758 HG23 VAL 96 HG23 VAL 96 -8.274 12.336 6.913 759 H MET 97 HN MET 97 -7.421 10.339 2.679 760 HA MET 97 HA MET 97 -5.331 8.479 2.613 761 HB2 MET 97 HB2 MET 97 -7.663 7.895 2.126 762 HB3 MET 97 HB1 MET 97 -7.601 8.847 0.649 763 HG2 MET 97 HG2 MET 97 -5.642 7.290 0.009 764 HG3 MET 97 HG1 MET 97 -6.285 6.239 1.269 765 HE1 MET 97 HE1 MET 97 -7.859 7.628 -2.622 766 HE2 MET 97 HE2 MET 97 -6.871 6.177 -2.797 767 HE3 MET 97 HE3 MET 97 -6.224 7.589 -1.960 768 H ASP 98 HN ASP 98 -6.043 11.229 0.582 769 HA ASP 98 HA ASP 98 -4.207 10.508 -1.500 770 HB2 ASP 98 HB2 ASP 98 -6.161 11.964 -1.914 771 HB3 ASP 98 HB1 ASP 98 -5.452 13.195 -0.873 772 H ASN 99 HN ASN 99 -4.055 12.347 1.466 773 HA ASN 99 HA ASN 99 -1.624 13.701 0.939 774 HB2 ASN 99 HB2 ASN 99 -3.485 13.905 2.884 775 HB3 ASN 99 HB1 ASN 99 -2.254 12.987 3.746 776 HD21 ASN 99 HD21 ASN 99 -3.099 16.010 2.320 777 HD22 ASN 99 HD22 ASN 99 -1.736 16.904 2.890 778 H ILE 100 HN ILE 100 -2.389 10.506 2.111 779 HA ILE 100 HA ILE 100 0.237 9.920 3.095 780 HB ILE 100 HB ILE 100 -1.951 7.989 2.313 781 HG12 ILE 100 HG12 ILE 100 -2.668 9.656 4.013 782 HG13 ILE 100 HG11 ILE 100 -2.623 8.012 4.642 783 HG21 ILE 100 HG21 ILE 100 0.685 7.701 3.642 784 HG22 ILE 100 HG22 ILE 100 -0.157 6.608 2.543 785 HG23 ILE 100 HG23 ILE 100 -0.648 6.711 4.234 786 HD11 ILE 100 HD11 ILE 100 -1.045 8.506 6.147 787 HD12 ILE 100 HD12 ILE 100 -1.554 10.172 5.871 788 HD13 ILE 100 HD13 ILE 100 -0.148 9.527 5.024 789 H LYS 101 HN LYS 101 -1.589 8.916 0.205 790 HA LYS 101 HA LYS 101 0.459 7.449 -1.007 791 HB2 LYS 101 HB2 LYS 101 -1.891 7.342 -1.718 792 HB3 LYS 101 HB1 LYS 101 -1.785 8.988 -2.325 793 HG2 LYS 101 HG2 LYS 101 0.250 7.877 -3.677 794 HG3 LYS 101 HG1 LYS 101 -0.799 6.470 -3.490 795 HD2 LYS 101 HD2 LYS 101 -2.160 8.945 -4.309 796 HD3 LYS 101 HD1 LYS 101 -1.019 8.293 -5.486 797 HE2 LYS 101 HE2 LYS 101 -2.819 6.328 -4.236 798 HE3 LYS 101 HE1 LYS 101 -3.601 7.516 -5.277 799 HZ1 LYS 101 HZ1 LYS 101 -1.787 5.357 -5.966 800 HZ2 LYS 101 HZ2 LYS 101 -1.542 6.807 -6.800 801 HZ3 LYS 101 HZ3 LYS 101 -3.048 6.040 -6.863 802 H MET 102 HN MET 102 -0.442 10.866 -1.392 803 HA MET 102 HA MET 102 1.415 11.532 -3.365 804 HB2 MET 102 HB2 MET 102 1.014 13.811 -2.804 805 HB3 MET 102 HB1 MET 102 -0.498 12.954 -2.542 806 HG2 MET 102 HG2 MET 102 -0.173 12.965 -0.178 807 HG3 MET 102 HG1 MET 102 1.456 13.613 -0.353 808 HE1 MET 102 HE1 MET 102 -2.036 14.055 -1.560 809 HE2 MET 102 HE2 MET 102 -1.610 15.418 -2.594 810 HE3 MET 102 HE3 MET 102 -2.509 15.690 -1.101 811 H THR 103 HN THR 103 1.763 11.262 0.113 812 HA THR 103 HA THR 103 4.378 12.429 0.201 813 HB THR 103 HB THR 103 2.943 10.700 2.226 814 HG1 THR 103 HG1 THR 103 2.027 12.477 2.906 815 HG21 THR 103 HG21 THR 103 4.585 11.000 3.696 816 HG22 THR 103 HG22 THR 103 4.856 12.670 3.197 817 HG23 THR 103 HG23 THR 103 5.589 11.348 2.288 818 H LEU 104 HN LEU 104 3.105 9.118 0.294 819 HA LEU 104 HA LEU 104 5.530 7.775 0.632 820 HB2 LEU 104 HB2 LEU 104 2.860 7.055 -0.471 821 HB3 LEU 104 HB1 LEU 104 4.194 5.957 -0.770 822 HG LEU 104 HG LEU 104 3.856 6.823 2.035 823 HD11 LEU 104 HD11 LEU 104 2.064 5.134 2.394 824 HD12 LEU 104 HD12 LEU 104 1.860 5.047 0.645 825 HD13 LEU 104 HD13 LEU 104 1.540 6.558 1.496 826 HD21 LEU 104 HD21 LEU 104 4.049 4.151 2.064 827 HD22 LEU 104 HD22 LEU 104 5.448 5.219 1.951 828 HD23 LEU 104 HD23 LEU 104 4.784 4.479 0.495 829 H GLN 105 HN GLN 105 4.066 9.176 -2.211 830 HA GLN 105 HA GLN 105 5.688 7.858 -4.133 831 HB2 GLN 105 HB2 GLN 105 3.858 10.205 -4.126 832 HB3 GLN 105 HB1 GLN 105 5.006 10.074 -5.451 833 HG2 GLN 105 HG2 GLN 105 3.198 7.808 -4.686 834 HG3 GLN 105 HG1 GLN 105 2.693 9.082 -5.796 835 HE21 GLN 105 HE21 GLN 105 4.633 9.543 -7.435 836 HE22 GLN 105 HE22 GLN 105 5.174 8.126 -8.263 837 H GLN 106 HN GLN 106 6.101 10.702 -2.154 838 HA GLN 106 HA GLN 106 8.415 11.626 -3.619 839 HB2 GLN 106 HB2 GLN 106 6.883 12.557 -1.235 840 HB3 GLN 106 HB1 GLN 106 8.540 13.114 -1.428 841 HG2 GLN 106 HG2 GLN 106 6.362 13.426 -3.482 842 HG3 GLN 106 HG1 GLN 106 6.883 14.676 -2.352 843 HE21 GLN 106 HE21 GLN 106 7.167 13.646 -5.428 844 HE22 GLN 106 HE22 GLN 106 8.710 14.313 -5.831 845 H ILE 107 HN ILE 107 7.733 9.822 -0.686 846 HA ILE 107 HA ILE 107 10.332 9.876 0.411 847 HB ILE 107 HB ILE 107 8.269 7.695 0.736 848 HG12 ILE 107 HG12 ILE 107 8.615 9.874 2.738 849 HG13 ILE 107 HG11 ILE 107 7.738 10.258 1.261 850 HG21 ILE 107 HG21 ILE 107 10.608 7.218 1.499 851 HG22 ILE 107 HG22 ILE 107 9.384 7.142 2.766 852 HG23 ILE 107 HG23 ILE 107 10.437 8.551 2.641 853 HD11 ILE 107 HD11 ILE 107 5.918 9.370 2.135 854 HD12 ILE 107 HD12 ILE 107 6.815 8.927 3.588 855 HD13 ILE 107 HD13 ILE 107 6.728 7.806 2.229 856 H ILE 108 HN ILE 108 8.706 7.513 -1.689 857 HA ILE 108 HA ILE 108 11.013 5.820 -1.871 858 HB ILE 108 HB ILE 108 8.612 5.832 -3.699 859 HG12 ILE 108 HG12 ILE 108 8.950 4.117 -1.242 860 HG13 ILE 108 HG11 ILE 108 8.122 5.670 -1.186 861 HG21 ILE 108 HG21 ILE 108 10.802 3.873 -3.112 862 HG22 ILE 108 HG22 ILE 108 10.233 4.474 -4.670 863 HG23 ILE 108 HG23 ILE 108 9.246 3.339 -3.748 864 HD11 ILE 108 HD11 ILE 108 6.405 4.141 -1.437 865 HD12 ILE 108 HD12 ILE 108 7.316 3.155 -2.581 866 HD13 ILE 108 HD13 ILE 108 6.671 4.719 -3.081 867 H SER 109 HN SER 109 9.554 8.330 -3.871 868 HA SER 109 HA SER 109 11.164 7.947 -6.155 869 HB2 SER 109 HB2 SER 109 9.117 9.231 -6.306 870 HB3 SER 109 HB1 SER 109 9.729 10.413 -5.149 871 HG SER 109 HG SER 109 10.844 9.866 -7.703 872 H ARG 110 HN ARG 110 11.715 9.573 -3.132 873 HA ARG 110 HA ARG 110 14.054 10.981 -4.108 874 HB2 ARG 110 HB2 ARG 110 12.518 10.898 -1.560 875 HB3 ARG 110 HB1 ARG 110 14.210 11.371 -1.475 876 HG2 ARG 110 HG2 ARG 110 13.725 13.104 -3.212 877 HG3 ARG 110 HG1 ARG 110 12.015 12.702 -3.041 878 HD2 ARG 110 HD2 ARG 110 12.676 13.066 -0.457 879 HD3 ARG 110 HD1 ARG 110 13.815 14.173 -1.223 880 HE ARG 110 HE ARG 110 11.467 14.802 -2.401 881 HH11 ARG 110 HH11 ARG 110 12.441 14.482 0.935 882 HH12 ARG 110 HH12 ARG 110 11.311 15.661 1.508 883 HH21 ARG 110 HH21 ARG 110 9.980 16.354 -1.648 884 HH22 ARG 110 HH22 ARG 110 9.913 16.724 0.042 885 H TYR 111 HN TYR 111 13.290 8.041 -2.404 886 HA TYR 111 HA TYR 111 16.099 7.597 -1.733 887 HB2 TYR 111 HB2 TYR 111 13.650 5.953 -1.066 888 HB3 TYR 111 HB1 TYR 111 15.281 5.639 -0.484 889 HD1 TYR 111 HD1 TYR 111 15.988 8.607 -0.013 890 HD2 TYR 111 HD2 TYR 111 12.632 6.229 1.077 891 HE1 TYR 111 HE1 TYR 111 15.581 10.075 1.916 892 HE2 TYR 111 HE2 TYR 111 12.216 7.691 3.009 893 HH TYR 111 HH TYR 111 12.699 9.929 3.763 894 H LYS 112 HN LYS 112 13.941 6.896 -4.239 895 HA LYS 112 HA LYS 112 15.232 4.390 -4.966 896 HB2 LYS 112 HB2 LYS 112 13.574 4.201 -6.690 897 HB3 LYS 112 HB1 LYS 112 12.764 4.694 -5.209 898 HG2 LYS 112 HG2 LYS 112 11.764 6.131 -6.635 899 HG3 LYS 112 HG1 LYS 112 13.184 7.105 -6.249 900 HD2 LYS 112 HD2 LYS 112 13.352 7.226 -8.503 901 HD3 LYS 112 HD1 LYS 112 14.161 5.671 -8.299 902 HE2 LYS 112 HE2 LYS 112 11.572 4.888 -8.421 903 HE3 LYS 112 HE1 LYS 112 11.536 6.306 -9.468 904 HZ1 LYS 112 HZ1 LYS 112 13.602 5.228 -10.529 905 HZ2 LYS 112 HZ2 LYS 112 12.075 4.608 -10.911 906 HZ3 LYS 112 HZ3 LYS 112 13.058 3.805 -9.793 907 H ASP 113 HN ASP 113 15.230 7.757 -5.856 908 HA ASP 113 HA ASP 113 16.803 7.264 -8.255 909 HB2 ASP 113 HB2 ASP 113 15.372 9.591 -7.088 910 HB3 ASP 113 HB1 ASP 113 16.786 9.943 -8.077 911 H ALA 114 HN ALA 114 17.200 8.407 -4.976 912 HA ALA 114 HA ALA 114 19.809 9.493 -5.314 913 HB1 ALA 114 HB1 ALA 114 18.439 10.200 -3.461 914 HB2 ALA 114 HB2 ALA 114 19.901 9.432 -2.842 915 HB3 ALA 114 HB3 ALA 114 18.372 8.552 -2.835 916 H ASP 115 HN ASP 115 18.628 6.405 -3.993 917 HA ASP 115 HA ASP 115 19.630 4.382 -3.718 918 HB2 ASP 115 HB2 ASP 115 20.042 4.706 -6.178 919 HB3 ASP 115 HB1 ASP 115 21.632 5.343 -5.770 920 H1 ASP 453 HN ASP 453 -17.631 -13.676 -1.589 921 HA ASP 453 HA ASP 453 -15.118 -14.899 -2.148 922 HB2 ASP 453 HB2 ASP 453 -17.390 -15.315 -4.023 923 HB3 ASP 453 HB1 ASP 453 -15.823 -14.934 -4.730 924 H LEU 454 HN LEU 454 -14.609 -12.745 -1.407 925 HA LEU 454 HA LEU 454 -14.731 -10.789 -3.597 926 HB2 LEU 454 HB2 LEU 454 -15.046 -10.108 -0.675 927 HB3 LEU 454 HB1 LEU 454 -15.093 -8.985 -2.021 928 HG LEU 454 HG LEU 454 -17.092 -11.215 -1.772 929 HD11 LEU 454 HD11 LEU 454 -17.065 -8.542 -0.423 930 HD12 LEU 454 HD12 LEU 454 -17.471 -10.124 0.243 931 HD13 LEU 454 HD13 LEU 454 -18.583 -9.322 -0.867 932 HD21 LEU 454 HD21 LEU 454 -18.445 -9.717 -3.164 933 HD22 LEU 454 HD22 LEU 454 -16.918 -10.135 -3.942 934 HD23 LEU 454 HD23 LEU 454 -17.120 -8.553 -3.188 935 H ASP 455 HN ASP 455 -12.711 -12.710 -2.121 936 HA ASP 455 HA ASP 455 -10.688 -10.965 -1.127 937 HB2 ASP 455 HB2 ASP 455 -10.700 -13.873 -1.927 938 HB3 ASP 455 HB1 ASP 455 -9.240 -13.060 -1.370 939 H GLU 456 HN GLU 456 -10.940 -12.895 -4.115 940 HA GLU 456 HA GLU 456 -8.606 -11.935 -5.323 941 HB2 GLU 456 HB2 GLU 456 -9.676 -12.683 -7.463 942 HB3 GLU 456 HB1 GLU 456 -9.653 -13.901 -6.195 943 HG2 GLU 456 HG2 GLU 456 -11.804 -14.181 -6.703 944 HG3 GLU 456 HG1 GLU 456 -12.059 -12.712 -5.762 945 H SER 457 HN SER 457 -11.928 -10.733 -5.426 946 HA SER 457 HA SER 457 -11.574 -8.761 -7.383 947 HB2 SER 457 HB2 SER 457 -13.710 -9.666 -5.995 948 HB3 SER 457 HB1 SER 457 -13.433 -8.137 -5.162 949 HG SER 457 HG SER 457 -14.850 -8.066 -7.056 950 H TRP 458 HN TRP 458 -10.762 -8.826 -3.995 951 HA TRP 458 HA TRP 458 -10.505 -6.093 -3.488 952 HB2 TRP 458 HB2 TRP 458 -10.110 -8.382 -2.040 953 HB3 TRP 458 HB1 TRP 458 -8.462 -7.792 -2.224 954 HD1 TRP 458 HD1 TRP 458 -7.918 -6.721 0.049 955 HE1 TRP 458 HE1 TRP 458 -9.020 -4.939 1.544 956 HE3 TRP 458 HE3 TRP 458 -12.288 -6.088 -2.528 957 HZ2 TRP 458 HZ2 TRP 458 -11.423 -3.461 1.620 958 HZ3 TRP 458 HZ3 TRP 458 -13.936 -4.471 -1.677 959 HH2 TRP 458 HH2 TRP 458 -13.511 -3.186 0.355 960 H ASP 459 HN ASP 459 -8.445 -8.287 -5.238 961 HA ASP 459 HA ASP 459 -6.158 -6.546 -5.246 962 HB2 ASP 459 HB2 ASP 459 -6.104 -9.080 -5.481 963 HB3 ASP 459 HB1 ASP 459 -6.672 -8.846 -7.131 964 H TYR 460 HN TYR 460 -8.937 -7.099 -7.283 965 HA TYR 460 HA TYR 460 -7.942 -5.732 -9.576 966 HB2 TYR 460 HB2 TYR 460 -10.557 -6.827 -8.694 967 HB3 TYR 460 HB1 TYR 460 -10.603 -5.560 -9.915 968 HD1 TYR 460 HD1 TYR 460 -9.562 -5.923 -12.119 969 HD2 TYR 460 HD2 TYR 460 -9.738 -9.023 -9.210 970 HE1 TYR 460 HE1 TYR 460 -9.060 -7.581 -13.864 971 HE2 TYR 460 HE2 TYR 460 -9.236 -10.689 -10.947 972 HH TYR 460 HH TYR 460 -8.161 -9.821 -14.073 973 H ILE 461 HN ILE 461 -9.972 -4.788 -6.833 974 HA ILE 461 HA ILE 461 -10.642 -2.214 -7.690 975 HB ILE 461 HB ILE 461 -11.721 -3.282 -5.773 976 HG12 ILE 461 HG12 ILE 461 -10.325 -0.697 -5.040 977 HG13 ILE 461 HG11 ILE 461 -11.808 -0.833 -5.980 978 HG21 ILE 461 HG21 ILE 461 -8.978 -3.103 -4.607 979 HG22 ILE 461 HG22 ILE 461 -10.116 -4.451 -4.605 980 HG23 ILE 461 HG23 ILE 461 -10.388 -3.066 -3.548 981 HD11 ILE 461 HD11 ILE 461 -12.408 -0.231 -3.770 982 HD12 ILE 461 HD12 ILE 461 -11.405 -1.507 -3.081 983 HD13 ILE 461 HD13 ILE 461 -12.859 -1.921 -3.989 984 H PHE 462 HN PHE 462 -7.686 -3.469 -6.349 985 HA PHE 462 HA PHE 462 -6.605 -0.759 -6.050 986 HB2 PHE 462 HB2 PHE 462 -5.567 -3.442 -5.123 987 HB3 PHE 462 HB1 PHE 462 -4.683 -1.930 -4.938 988 HD1 PHE 462 HD1 PHE 462 -6.408 0.006 -3.958 989 HD2 PHE 462 HD2 PHE 462 -6.516 -4.176 -3.181 990 HE1 PHE 462 HE1 PHE 462 -7.583 0.435 -1.839 991 HE2 PHE 462 HE2 PHE 462 -7.692 -3.756 -1.061 992 HZ PHE 462 HZ PHE 462 -8.227 -1.448 -0.388 993 H GLU 463 HN GLU 463 -6.268 -3.708 -7.893 994 HA GLU 463 HA GLU 463 -3.787 -3.183 -9.105 995 HB2 GLU 463 HB2 GLU 463 -6.129 -4.916 -9.735 996 HB3 GLU 463 HB1 GLU 463 -4.943 -4.641 -11.003 997 HG2 GLU 463 HG2 GLU 463 -3.914 -5.425 -8.344 998 HG3 GLU 463 HG1 GLU 463 -4.771 -6.652 -9.276 999 H THR 464 HN THR 464 -7.054 -2.758 -10.482 1000 HA THR 464 HA THR 464 -5.931 -0.846 -12.399 1001 HB THR 464 HB THR 464 -7.998 -1.137 -13.655 1002 HG1 THR 464 HG1 THR 464 -8.790 -2.897 -11.578 1003 HG21 THR 464 HG21 THR 464 -6.539 -2.786 -14.343 1004 HG22 THR 464 HG22 THR 464 -7.980 -3.700 -13.900 1005 HG23 THR 464 HG23 THR 464 -6.605 -3.633 -12.798 1006 H THR 465 HN THR 465 -7.922 0.779 -13.032 1007 HA THR 465 HA THR 465 -9.167 1.870 -10.650 1008 HB THR 465 HB THR 465 -8.187 4.177 -11.249 1009 HG1 THR 465 HG1 THR 465 -6.217 2.516 -12.431 1010 HG21 THR 465 HG21 THR 465 -6.272 3.921 -9.856 1011 HG22 THR 465 HG22 THR 465 -6.235 2.180 -10.139 1012 HG23 THR 465 HG23 THR 465 -7.558 2.896 -9.219 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 2.733 15.058 14.725 2 H3 PRO 1 HT2 PRO 1 1.728 14.786 15.999 3 HA PRO 1 HA PRO 1 0.137 15.087 14.751 4 HB2 PRO 1 HB2 PRO 1 0.536 17.864 14.009 5 HB3 PRO 1 HB1 PRO 1 -0.651 17.163 15.116 6 HG2 PRO 1 HG2 PRO 1 1.440 18.688 15.954 7 HG3 PRO 1 HG1 PRO 1 0.708 17.411 16.941 8 HD2 PRO 1 HD2 PRO 1 3.217 17.327 15.291 9 HD3 PRO 1 HD1 PRO 1 2.929 16.700 16.926 10 H SER 2 HN SER 2 3.036 16.540 13.358 11 HA SER 2 HA SER 2 2.132 16.616 10.681 12 HB2 SER 2 HB2 SER 2 4.608 16.728 10.148 13 HB3 SER 2 HB1 SER 2 4.019 17.961 11.263 14 HG SER 2 HG SER 2 5.278 17.179 12.748 15 H HIS 3 HN HIS 3 2.461 15.208 8.968 16 HA HIS 3 HA HIS 3 2.588 13.197 7.916 17 HB2 HIS 3 HB2 HIS 3 4.730 12.809 10.006 18 HB3 HIS 3 HB1 HIS 3 4.397 11.620 8.752 19 HD1 HIS 3 HD1 HIS 3 5.889 15.001 9.293 20 HD2 HIS 3 HD2 HIS 3 5.252 12.327 6.177 21 HE1 HIS 3 HE1 HIS 3 7.271 15.860 7.376 22 HE2 HIS 3 HE2 HIS 3 6.802 14.275 5.476 23 H SER 4 HN SER 4 0.382 12.895 8.775 24 HA SER 4 HA SER 4 0.028 10.307 9.803 25 HB2 SER 4 HB2 SER 4 -0.962 10.829 12.002 26 HB3 SER 4 HB1 SER 4 0.737 11.295 11.932 27 HG SER 4 HG SER 4 -1.475 13.037 11.561 28 H GLY 5 HN GLY 5 -2.253 9.748 10.092 29 HA2 GLY 5 HA2 GLY 5 -4.333 11.602 9.578 30 HA3 GLY 5 HA1 GLY 5 -3.886 10.783 8.090 31 H ALA 6 HN ALA 6 -6.368 10.708 9.728 32 HA ALA 6 HA ALA 6 -6.597 8.254 11.073 33 HB1 ALA 6 HB1 ALA 6 -9.119 8.644 10.277 34 HB2 ALA 6 HB2 ALA 6 -8.474 10.258 9.979 35 HB3 ALA 6 HB3 ALA 6 -8.376 9.553 11.593 36 H ALA 7 HN ALA 7 -5.768 6.530 9.954 37 HA ALA 7 HA ALA 7 -7.068 5.867 7.392 38 HB1 ALA 7 HB1 ALA 7 -4.465 4.699 8.322 39 HB2 ALA 7 HB2 ALA 7 -4.537 6.237 7.462 40 HB3 ALA 7 HB3 ALA 7 -5.126 4.765 6.689 41 H ILE 8 HN ILE 8 -8.343 4.134 7.338 42 HA ILE 8 HA ILE 8 -8.429 2.391 9.687 43 HB ILE 8 HB ILE 8 -10.379 2.491 7.386 44 HG12 ILE 8 HG12 ILE 8 -11.799 3.707 9.178 45 HG13 ILE 8 HG11 ILE 8 -10.259 4.031 9.969 46 HG21 ILE 8 HG21 ILE 8 -10.089 0.531 9.204 47 HG22 ILE 8 HG22 ILE 8 -11.638 0.976 8.487 48 HG23 ILE 8 HG23 ILE 8 -11.190 1.597 10.076 49 HD11 ILE 8 HD11 ILE 8 -11.415 5.650 8.151 50 HD12 ILE 8 HD12 ILE 8 -10.352 4.697 7.114 51 HD13 ILE 8 HD13 ILE 8 -9.682 5.596 8.476 52 H PHE 9 HN PHE 9 -7.333 0.554 9.619 53 HA PHE 9 HA PHE 9 -7.048 -0.823 7.029 54 HB2 PHE 9 HB2 PHE 9 -4.912 0.070 7.946 55 HB3 PHE 9 HB1 PHE 9 -5.141 -0.933 9.375 56 HD1 PHE 9 HD1 PHE 9 -5.304 -1.427 5.675 57 HD2 PHE 9 HD2 PHE 9 -3.833 -2.805 9.423 58 HE1 PHE 9 HE1 PHE 9 -4.171 -3.293 4.540 59 HE2 PHE 9 HE2 PHE 9 -2.696 -4.672 8.295 60 HZ PHE 9 HZ PHE 9 -2.864 -4.918 5.850 61 H GLU 10 HN GLU 10 -7.581 -2.946 6.909 62 HA GLU 10 HA GLU 10 -8.534 -4.935 7.464 63 HB2 GLU 10 HB2 GLU 10 -7.407 -4.406 10.218 64 HB3 GLU 10 HB1 GLU 10 -7.901 -5.964 9.570 65 HG2 GLU 10 HG2 GLU 10 -5.897 -4.574 7.956 66 HG3 GLU 10 HG1 GLU 10 -5.360 -5.001 9.580 67 H LYS 11 HN LYS 11 -10.065 -2.492 7.723 68 HA LYS 11 HA LYS 11 -12.141 -1.841 8.381 69 HB2 LYS 11 HB2 LYS 11 -12.319 -4.549 8.185 70 HB3 LYS 11 HB1 LYS 11 -12.782 -4.309 9.864 71 HG2 LYS 11 HG2 LYS 11 -14.082 -2.491 7.967 72 HG3 LYS 11 HG1 LYS 11 -14.480 -4.197 7.754 73 HD2 LYS 11 HD2 LYS 11 -14.503 -3.252 10.538 74 HD3 LYS 11 HD1 LYS 11 -15.729 -2.529 9.496 75 HE2 LYS 11 HE2 LYS 11 -16.921 -4.359 10.032 76 HE3 LYS 11 HE1 LYS 11 -15.937 -5.133 8.790 77 HZ1 LYS 11 HZ1 LYS 11 -15.839 -6.502 10.688 78 HZ2 LYS 11 HZ2 LYS 11 -15.534 -5.200 11.725 79 HZ3 LYS 11 HZ3 LYS 11 -14.349 -5.702 10.628 80 H VAL 12 HN VAL 12 -9.910 -1.274 10.046 81 HA VAL 12 HA VAL 12 -11.283 -1.057 12.639 82 HB VAL 12 HB VAL 12 -8.318 -1.541 12.317 83 HG11 VAL 12 HG11 VAL 12 -9.598 -1.956 14.921 84 HG12 VAL 12 HG12 VAL 12 -9.598 -0.282 14.367 85 HG13 VAL 12 HG13 VAL 12 -8.077 -1.161 14.517 86 HG21 VAL 12 HG21 VAL 12 -9.292 -3.599 11.795 87 HG22 VAL 12 HG22 VAL 12 -10.588 -3.388 12.973 88 HG23 VAL 12 HG23 VAL 12 -8.944 -3.720 13.520 89 H SER 13 HN SER 13 -11.259 0.915 13.548 90 HA SER 13 HA SER 13 -10.242 3.118 12.000 91 HB2 SER 13 HB2 SER 13 -11.165 4.414 14.079 92 HB3 SER 13 HB1 SER 13 -12.294 3.638 12.968 93 HG SER 13 HG SER 13 -12.873 3.064 15.036 94 H GLY 14 HN GLY 14 -8.097 3.438 12.055 95 HA2 GLY 14 HA2 GLY 14 -6.868 3.797 14.708 96 HA3 GLY 14 HA1 GLY 14 -6.065 2.806 13.500 97 H ILE 15 HN ILE 15 -4.403 4.542 14.145 98 HA ILE 15 HA ILE 15 -4.699 6.836 12.315 99 HB ILE 15 HB ILE 15 -2.991 6.791 14.801 100 HG12 ILE 15 HG12 ILE 15 -5.354 6.634 15.426 101 HG13 ILE 15 HG11 ILE 15 -4.712 8.225 15.823 102 HG21 ILE 15 HG21 ILE 15 -2.412 8.941 14.337 103 HG22 ILE 15 HG22 ILE 15 -3.922 9.284 13.493 104 HG23 ILE 15 HG23 ILE 15 -2.653 8.360 12.689 105 HD11 ILE 15 HD11 ILE 15 -6.908 7.501 14.111 106 HD12 ILE 15 HD12 ILE 15 -5.731 8.498 13.256 107 HD13 ILE 15 HD13 ILE 15 -6.453 9.077 14.757 108 H ILE 16 HN ILE 16 -3.340 6.837 10.659 109 HA ILE 16 HA ILE 16 -0.959 5.130 10.785 110 HB ILE 16 HB ILE 16 -2.852 5.817 8.677 111 HG12 ILE 16 HG12 ILE 16 -0.691 3.723 8.627 112 HG13 ILE 16 HG11 ILE 16 -2.137 3.540 9.616 113 HG21 ILE 16 HG21 ILE 16 0.082 5.968 8.007 114 HG22 ILE 16 HG22 ILE 16 -1.106 7.262 7.845 115 HG23 ILE 16 HG23 ILE 16 -1.222 5.826 6.828 116 HD11 ILE 16 HD11 ILE 16 -2.639 4.233 6.813 117 HD12 ILE 16 HD12 ILE 16 -3.424 3.044 7.853 118 HD13 ILE 16 HD13 ILE 16 -1.888 2.659 7.077 119 H ALA 17 HN ALA 17 0.987 6.002 10.988 120 HA ALA 17 HA ALA 17 1.443 8.742 10.039 121 HB1 ALA 17 HB1 ALA 17 1.834 7.706 12.808 122 HB2 ALA 17 HB2 ALA 17 1.199 9.259 12.265 123 HB3 ALA 17 HB3 ALA 17 2.931 8.937 12.183 124 H ILE 18 HN ILE 18 3.266 8.953 8.900 125 HA ILE 18 HA ILE 18 5.023 6.649 8.655 126 HB ILE 18 HB ILE 18 5.188 9.256 7.147 127 HG12 ILE 18 HG12 ILE 18 3.709 6.718 6.414 128 HG13 ILE 18 HG11 ILE 18 2.966 8.254 6.848 129 HG21 ILE 18 HG21 ILE 18 6.315 7.794 5.455 130 HG22 ILE 18 HG22 ILE 18 6.320 6.509 6.663 131 HG23 ILE 18 HG23 ILE 18 7.206 8.005 6.962 132 HD11 ILE 18 HD11 ILE 18 3.415 7.438 4.322 133 HD12 ILE 18 HD12 ILE 18 4.878 8.376 4.626 134 HD13 ILE 18 HD13 ILE 18 3.293 9.128 4.811 135 H ASN 19 HN ASN 19 7.077 6.533 9.366 136 HA ASN 19 HA ASN 19 8.096 8.832 10.887 137 HB2 ASN 19 HB2 ASN 19 8.627 5.870 11.098 138 HB3 ASN 19 HB1 ASN 19 9.633 7.067 11.909 139 HD21 ASN 19 HD21 ASN 19 7.640 4.927 12.772 140 HD22 ASN 19 HD22 ASN 19 6.634 5.746 13.913 141 H GLU 20 HN GLU 20 9.648 9.988 9.974 142 HA GLU 20 HA GLU 20 11.297 8.752 7.883 143 HB2 GLU 20 HB2 GLU 20 10.699 11.645 8.511 144 HB3 GLU 20 HB1 GLU 20 11.867 11.134 7.300 145 HG2 GLU 20 HG2 GLU 20 10.281 10.548 5.816 146 HG3 GLU 20 HG1 GLU 20 9.179 9.960 7.060 147 H ASP 21 HN ASP 21 11.752 8.370 10.748 148 HA ASP 21 HA ASP 21 14.165 9.913 11.286 149 HB2 ASP 21 HB2 ASP 21 12.539 7.961 12.907 150 HB3 ASP 21 HB1 ASP 21 14.124 8.514 13.441 151 H VAL 22 HN VAL 22 13.174 6.690 10.376 152 HA VAL 22 HA VAL 22 15.911 5.691 10.602 153 HB VAL 22 HB VAL 22 14.080 4.272 11.436 154 HG11 VAL 22 HG11 VAL 22 12.249 3.718 10.267 155 HG12 VAL 22 HG12 VAL 22 13.153 3.480 8.771 156 HG13 VAL 22 HG13 VAL 22 12.676 5.105 9.266 157 HG21 VAL 22 HG21 VAL 22 14.918 2.617 9.194 158 HG22 VAL 22 HG22 VAL 22 15.246 2.441 10.917 159 HG23 VAL 22 HG23 VAL 22 16.249 3.505 9.933 160 H SER 23 HN SER 23 17.083 4.896 8.848 161 HA SER 23 HA SER 23 17.025 6.319 6.497 162 HB2 SER 23 HB2 SER 23 18.182 3.931 5.720 163 HB3 SER 23 HB1 SER 23 19.017 5.278 6.493 164 HG SER 23 HG SER 23 19.181 3.092 7.490 165 HA PRO 24 HA PRO 24 14.862 2.710 4.081 166 HB2 PRO 24 HB2 PRO 24 13.642 0.813 5.669 167 HB3 PRO 24 HB1 PRO 24 15.229 0.624 4.917 168 HG2 PRO 24 HG2 PRO 24 14.538 1.430 7.711 169 HG3 PRO 24 HG1 PRO 24 15.826 0.354 7.141 170 HD2 PRO 24 HD2 PRO 24 16.342 2.881 7.877 171 HD3 PRO 24 HD1 PRO 24 17.200 2.119 6.523 172 H ALA 25 HN ALA 25 13.706 4.149 6.997 173 HA ALA 25 HA ALA 25 11.757 5.195 7.529 174 HB1 ALA 25 HB1 ALA 25 10.762 6.368 5.880 175 HB2 ALA 25 HB2 ALA 25 10.558 4.951 4.850 176 HB3 ALA 25 HB3 ALA 25 12.117 5.772 4.921 177 H GLU 26 HN GLU 26 9.642 4.712 8.161 178 HA GLU 26 HA GLU 26 8.333 2.338 7.164 179 HB2 GLU 26 HB2 GLU 26 8.254 1.181 9.312 180 HB3 GLU 26 HB1 GLU 26 9.918 1.387 8.780 181 HG2 GLU 26 HG2 GLU 26 10.420 2.856 10.447 182 HG3 GLU 26 HG1 GLU 26 8.763 3.444 10.580 183 H LEU 27 HN LEU 27 6.174 2.077 8.001 184 HA LEU 27 HA LEU 27 5.093 4.591 9.088 185 HB2 LEU 27 HB2 LEU 27 4.283 4.184 6.865 186 HB3 LEU 27 HB1 LEU 27 3.856 2.532 7.266 187 HG LEU 27 HG LEU 27 2.536 4.721 8.795 188 HD11 LEU 27 HD11 LEU 27 1.965 5.717 6.851 189 HD12 LEU 27 HD12 LEU 27 0.768 4.423 6.805 190 HD13 LEU 27 HD13 LEU 27 2.268 4.269 5.891 191 HD21 LEU 27 HD21 LEU 27 1.008 2.475 7.700 192 HD22 LEU 27 HD22 LEU 27 1.073 3.113 9.342 193 HD23 LEU 27 HD23 LEU 27 2.323 2.004 8.777 194 H THR 28 HN THR 28 3.503 4.512 10.694 195 HA THR 28 HA THR 28 3.229 1.907 12.047 196 HB THR 28 HB THR 28 3.185 4.560 13.473 197 HG1 THR 28 HG1 THR 28 5.420 2.883 12.992 198 HG21 THR 28 HG21 THR 28 3.894 1.821 14.490 199 HG22 THR 28 HG22 THR 28 2.309 2.575 14.665 200 HG23 THR 28 HG23 THR 28 3.721 3.303 15.430 201 H TRP 29 HN TRP 29 1.234 1.329 12.801 202 HA TRP 29 HA TRP 29 -0.970 3.236 12.437 203 HB2 TRP 29 HB2 TRP 29 -0.970 1.817 10.461 204 HB3 TRP 29 HB1 TRP 29 -0.923 0.371 11.463 205 HD1 TRP 29 HD1 TRP 29 -3.305 3.445 11.217 206 HE1 TRP 29 HE1 TRP 29 -5.723 2.569 11.328 207 HE3 TRP 29 HE3 TRP 29 -2.338 -1.552 11.703 208 HZ2 TRP 29 HZ2 TRP 29 -7.045 0.088 11.588 209 HZ3 TRP 29 HZ3 TRP 29 -4.235 -3.109 11.878 210 HH2 TRP 29 HH2 TRP 29 -6.539 -2.304 11.821 211 H ARG 30 HN ARG 30 -1.846 3.512 14.373 212 HA ARG 30 HA ARG 30 -2.121 1.168 16.139 213 HB2 ARG 30 HB2 ARG 30 -2.096 2.789 18.029 214 HB3 ARG 30 HB1 ARG 30 -0.588 2.742 17.125 215 HG2 ARG 30 HG2 ARG 30 -0.816 4.859 16.365 216 HG3 ARG 30 HG1 ARG 30 -2.576 4.754 16.274 217 HD2 ARG 30 HD2 ARG 30 -2.859 5.313 18.487 218 HD3 ARG 30 HD1 ARG 30 -1.263 4.724 18.950 219 HE ARG 30 HE ARG 30 -1.137 6.997 17.219 220 HH11 ARG 30 HH11 ARG 30 -1.573 5.996 20.534 221 HH12 ARG 30 HH12 ARG 30 -1.005 7.494 21.191 222 HH21 ARG 30 HH21 ARG 30 -0.389 8.967 18.082 223 HH22 ARG 30 HH22 ARG 30 -0.333 9.181 19.800 224 H SER 31 HN SER 31 -4.106 0.649 16.852 225 HA SER 31 HA SER 31 -6.398 1.694 15.641 226 HB2 SER 31 HB2 SER 31 -6.615 -0.490 16.469 227 HB3 SER 31 HB1 SER 31 -5.961 -0.057 18.048 228 HG SER 31 HG SER 31 -7.872 0.630 18.665 229 H THR 32 HN THR 32 -7.941 3.148 16.264 230 HA THR 32 HA THR 32 -7.160 5.317 17.868 231 HB THR 32 HB THR 32 -9.992 4.589 17.110 232 HG1 THR 32 HG1 THR 32 -9.598 5.679 15.195 233 HG21 THR 32 HG21 THR 32 -8.657 7.199 17.750 234 HG22 THR 32 HG22 THR 32 -10.044 6.456 18.546 235 HG23 THR 32 HG23 THR 32 -10.201 7.084 16.905 236 H ASP 33 HN ASP 33 -9.923 3.145 18.483 237 HA ASP 33 HA ASP 33 -9.396 3.463 21.366 238 HB2 ASP 33 HB2 ASP 33 -11.607 4.354 20.184 239 HB3 ASP 33 HB1 ASP 33 -12.103 2.678 20.393 240 H GLY 34 HN GLY 34 -7.978 1.623 21.268 241 HA2 GLY 34 HA2 GLY 34 -9.260 -0.800 21.963 242 HA3 GLY 34 HA1 GLY 34 -8.660 -0.907 20.315 243 H ASP 35 HN ASP 35 -6.920 -2.180 20.405 244 HA ASP 35 HA ASP 35 -4.577 -1.260 21.773 245 HB2 ASP 35 HB2 ASP 35 -6.093 -3.638 22.794 246 HB3 ASP 35 HB1 ASP 35 -4.337 -3.599 22.921 247 H LYS 36 HN LYS 36 -5.314 -1.781 19.071 248 HA LYS 36 HA LYS 36 -3.465 -3.987 18.439 249 HB2 LYS 36 HB2 LYS 36 -6.102 -3.251 17.256 250 HB3 LYS 36 HB1 LYS 36 -4.871 -3.911 16.189 251 HG2 LYS 36 HG2 LYS 36 -4.974 -5.979 17.115 252 HG3 LYS 36 HG1 LYS 36 -5.392 -5.364 18.715 253 HD2 LYS 36 HD2 LYS 36 -7.655 -4.838 17.894 254 HD3 LYS 36 HD1 LYS 36 -7.227 -5.521 16.324 255 HE2 LYS 36 HE2 LYS 36 -8.417 -7.198 17.520 256 HE3 LYS 36 HE1 LYS 36 -6.719 -7.673 17.502 257 HZ1 LYS 36 HZ1 LYS 36 -8.400 -6.885 19.735 258 HZ2 LYS 36 HZ2 LYS 36 -6.816 -6.294 19.770 259 HZ3 LYS 36 HZ3 LYS 36 -7.094 -7.960 19.688 260 H VAL 37 HN VAL 37 -1.646 -3.294 17.551 261 HA VAL 37 HA VAL 37 -1.745 -1.019 15.697 262 HB VAL 37 HB VAL 37 -0.957 -0.171 17.871 263 HG11 VAL 37 HG11 VAL 37 1.326 -0.914 18.636 264 HG12 VAL 37 HG12 VAL 37 1.158 -2.285 17.539 265 HG13 VAL 37 HG13 VAL 37 0.025 -2.080 18.874 266 HG21 VAL 37 HG21 VAL 37 0.895 -0.243 15.524 267 HG22 VAL 37 HG22 VAL 37 1.361 0.609 16.996 268 HG23 VAL 37 HG23 VAL 37 -0.099 1.083 16.128 269 H HIS 38 HN HIS 38 -0.416 -1.170 13.943 270 HA HIS 38 HA HIS 38 1.466 -3.422 13.832 271 HB2 HIS 38 HB2 HIS 38 -0.687 -4.052 12.733 272 HB3 HIS 38 HB1 HIS 38 -0.460 -2.715 11.609 273 HD1 HIS 38 HD1 HIS 38 0.360 -6.226 12.110 274 HD2 HIS 38 HD2 HIS 38 1.916 -3.047 9.934 275 HE1 HIS 38 HE1 HIS 38 1.867 -7.265 10.386 276 HE2 HIS 38 HE2 HIS 38 2.730 -5.328 9.026 277 H THR 39 HN THR 39 3.208 -3.165 12.382 278 HA THR 39 HA THR 39 3.558 -0.433 11.338 279 HB THR 39 HB THR 39 5.906 -2.015 12.304 280 HG1 THR 39 HG1 THR 39 4.098 -0.562 13.925 281 HG21 THR 39 HG21 THR 39 5.447 0.922 12.613 282 HG22 THR 39 HG22 THR 39 6.042 0.240 11.099 283 HG23 THR 39 HG23 THR 39 6.966 0.026 12.586 284 H VAL 40 HN VAL 40 4.721 -0.214 9.417 285 HA VAL 40 HA VAL 40 5.579 -2.657 8.058 286 HB VAL 40 HB VAL 40 3.252 -2.309 7.352 287 HG11 VAL 40 HG11 VAL 40 3.703 0.328 7.586 288 HG12 VAL 40 HG12 VAL 40 2.387 -0.352 6.628 289 HG13 VAL 40 HG13 VAL 40 3.885 0.145 5.841 290 HG21 VAL 40 HG21 VAL 40 4.699 -3.336 5.754 291 HG22 VAL 40 HG22 VAL 40 5.356 -1.775 5.262 292 HG23 VAL 40 HG23 VAL 40 3.681 -2.185 4.889 293 H VAL 41 HN VAL 41 7.318 -2.385 6.752 294 HA VAL 41 HA VAL 41 8.717 0.121 6.897 295 HB VAL 41 HB VAL 41 9.475 -2.307 5.272 296 HG11 VAL 41 HG11 VAL 41 11.800 -1.293 5.952 297 HG12 VAL 41 HG12 VAL 41 10.863 0.192 6.112 298 HG13 VAL 41 HG13 VAL 41 10.908 -0.660 4.569 299 HG21 VAL 41 HG21 VAL 41 9.566 -1.807 8.180 300 HG22 VAL 41 HG22 VAL 41 11.023 -2.492 7.460 301 HG23 VAL 41 HG23 VAL 41 9.479 -3.327 7.289 302 H LEU 42 HN LEU 42 8.930 1.657 5.371 303 HA LEU 42 HA LEU 42 7.184 1.554 3.081 304 HB2 LEU 42 HB2 LEU 42 9.046 3.639 4.190 305 HB3 LEU 42 HB1 LEU 42 8.229 3.854 2.654 306 HG LEU 42 HG LEU 42 6.922 3.541 5.356 307 HD11 LEU 42 HD11 LEU 42 7.249 5.847 3.456 308 HD12 LEU 42 HD12 LEU 42 7.763 5.736 5.139 309 HD13 LEU 42 HD13 LEU 42 6.046 5.830 4.746 310 HD21 LEU 42 HD21 LEU 42 5.735 3.700 2.594 311 HD22 LEU 42 HD22 LEU 42 4.820 4.014 4.068 312 HD23 LEU 42 HD23 LEU 42 5.526 2.422 3.791 313 H SER 43 HN SER 43 10.581 1.148 3.721 314 HA SER 43 HA SER 43 11.657 1.616 1.196 315 HB2 SER 43 HB2 SER 43 13.577 0.480 1.937 316 HB3 SER 43 HB1 SER 43 12.851 1.084 3.426 317 HG SER 43 HG SER 43 12.849 -0.917 4.040 318 H THR 44 HN THR 44 10.148 -1.291 2.522 319 HA THR 44 HA THR 44 10.726 -3.031 0.401 320 HB THR 44 HB THR 44 9.880 -3.780 2.589 321 HG1 THR 44 HG1 THR 44 8.535 -5.370 1.770 322 HG21 THR 44 HG21 THR 44 8.102 -2.858 3.514 323 HG22 THR 44 HG22 THR 44 7.108 -3.616 2.270 324 HG23 THR 44 HG23 THR 44 7.728 -1.983 2.029 325 H ILE 45 HN ILE 45 8.417 -0.467 0.689 326 HA ILE 45 HA ILE 45 6.582 -1.303 -1.291 327 HB ILE 45 HB ILE 45 7.246 1.545 -0.544 328 HG12 ILE 45 HG12 ILE 45 6.760 0.292 1.480 329 HG13 ILE 45 HG11 ILE 45 5.394 1.333 1.093 330 HG21 ILE 45 HG21 ILE 45 4.788 0.274 -1.740 331 HG22 ILE 45 HG22 ILE 45 5.895 1.396 -2.531 332 HG23 ILE 45 HG23 ILE 45 4.889 1.947 -1.191 333 HD11 ILE 45 HD11 ILE 45 5.440 -1.475 1.499 334 HD12 ILE 45 HD12 ILE 45 4.934 -1.152 -0.160 335 HD13 ILE 45 HD13 ILE 45 4.060 -0.422 1.187 336 H ASP 46 HN ASP 46 6.329 -0.560 -3.442 337 HA ASP 46 HA ASP 46 8.835 0.327 -4.714 338 HB2 ASP 46 HB2 ASP 46 8.166 -2.070 -5.163 339 HB3 ASP 46 HB1 ASP 46 6.750 -1.441 -5.999 340 H LYS 47 HN LYS 47 5.315 0.141 -5.265 341 HA LYS 47 HA LYS 47 5.415 2.888 -6.288 342 HB2 LYS 47 HB2 LYS 47 4.625 2.368 -8.328 343 HB3 LYS 47 HB1 LYS 47 5.154 0.734 -7.964 344 HG2 LYS 47 HG2 LYS 47 3.033 0.298 -8.629 345 HG3 LYS 47 HG1 LYS 47 2.729 0.570 -6.915 346 HD2 LYS 47 HD2 LYS 47 1.317 2.202 -7.447 347 HD3 LYS 47 HD1 LYS 47 2.650 3.096 -8.180 348 HE2 LYS 47 HE2 LYS 47 0.912 1.047 -9.553 349 HE3 LYS 47 HE1 LYS 47 0.815 2.795 -9.760 350 HZ1 LYS 47 HZ1 LYS 47 2.606 2.823 -11.094 351 HZ2 LYS 47 HZ2 LYS 47 2.228 1.194 -11.348 352 HZ3 LYS 47 HZ3 LYS 47 3.425 1.619 -10.231 353 H LEU 48 HN LEU 48 3.178 3.861 -6.426 354 HA LEU 48 HA LEU 48 1.367 2.744 -4.403 355 HB2 LEU 48 HB2 LEU 48 1.007 5.275 -3.789 356 HB3 LEU 48 HB1 LEU 48 2.281 4.331 -3.042 357 HG LEU 48 HG LEU 48 3.247 5.586 -5.458 358 HD11 LEU 48 HD11 LEU 48 2.397 7.543 -3.350 359 HD12 LEU 48 HD12 LEU 48 1.390 7.188 -4.754 360 HD13 LEU 48 HD13 LEU 48 3.005 7.860 -4.974 361 HD21 LEU 48 HD21 LEU 48 3.994 5.269 -2.623 362 HD22 LEU 48 HD22 LEU 48 4.656 6.682 -3.447 363 HD23 LEU 48 HD23 LEU 48 4.960 5.065 -4.085 364 H GLN 49 HN GLN 49 -0.818 3.284 -4.644 365 HA GLN 49 HA GLN 49 -1.621 4.929 -6.901 366 HB2 GLN 49 HB2 GLN 49 -1.266 2.303 -7.423 367 HB3 GLN 49 HB1 GLN 49 -2.931 2.276 -6.859 368 HG2 GLN 49 HG2 GLN 49 -3.179 2.555 -9.128 369 HG3 GLN 49 HG1 GLN 49 -3.283 4.211 -8.531 370 HE21 GLN 49 HE21 GLN 49 -2.192 2.588 -11.013 371 HE22 GLN 49 HE22 GLN 49 -0.741 3.449 -11.385 372 H ALA 50 HN ALA 50 -3.462 5.992 -6.493 373 HA ALA 50 HA ALA 50 -5.172 5.016 -4.301 374 HB1 ALA 50 HB1 ALA 50 -3.780 6.910 -3.559 375 HB2 ALA 50 HB2 ALA 50 -5.502 7.290 -3.542 376 HB3 ALA 50 HB3 ALA 50 -4.477 7.901 -4.841 377 H THR 51 HN THR 51 -7.374 6.066 -4.339 378 HA THR 51 HA THR 51 -8.440 5.833 -7.020 379 HB THR 51 HB THR 51 -10.649 6.216 -5.746 380 HG1 THR 51 HG1 THR 51 -9.738 7.102 -3.867 381 HG21 THR 51 HG21 THR 51 -10.647 3.949 -4.757 382 HG22 THR 51 HG22 THR 51 -8.921 3.843 -5.102 383 HG23 THR 51 HG23 THR 51 -10.076 3.999 -6.425 384 HA PRO 52 HA PRO 52 -8.873 10.126 -7.910 385 HB2 PRO 52 HB2 PRO 52 -11.220 10.196 -9.271 386 HB3 PRO 52 HB1 PRO 52 -9.736 9.523 -9.954 387 HG2 PRO 52 HG2 PRO 52 -12.056 8.107 -8.699 388 HG3 PRO 52 HG1 PRO 52 -11.151 7.689 -10.166 389 HD2 PRO 52 HD2 PRO 52 -10.716 6.466 -7.790 390 HD3 PRO 52 HD1 PRO 52 -9.424 6.729 -8.978 391 H ALA 53 HN ALA 53 -10.240 12.038 -7.584 392 HA ALA 53 HA ALA 53 -11.520 11.954 -5.014 393 HB1 ALA 53 HB1 ALA 53 -11.776 14.382 -5.314 394 HB2 ALA 53 HB2 ALA 53 -11.176 14.227 -6.965 395 HB3 ALA 53 HB3 ALA 53 -10.122 13.844 -5.604 396 H SER 54 HN SER 54 -12.542 12.079 -8.348 397 HA SER 54 HA SER 54 -15.204 12.927 -7.913 398 HB2 SER 54 HB2 SER 54 -13.731 12.607 -10.129 399 HB3 SER 54 HB1 SER 54 -14.627 11.089 -10.179 400 HG SER 54 HG SER 54 -16.524 12.212 -10.274 401 H SER 55 HN SER 55 -13.628 9.810 -7.759 402 HA SER 55 HA SER 55 -16.083 8.314 -7.647 403 HB2 SER 55 HB2 SER 55 -13.206 7.550 -7.115 404 HB3 SER 55 HB1 SER 55 -14.549 6.411 -7.025 405 HG SER 55 HG SER 55 -14.000 7.972 -9.323 406 H GLU 56 HN GLU 56 -17.233 7.746 -5.901 407 HA GLU 56 HA GLU 56 -16.870 9.036 -3.438 408 HB2 GLU 56 HB2 GLU 56 -18.634 7.503 -2.606 409 HB3 GLU 56 HB1 GLU 56 -19.058 8.279 -4.125 410 HG2 GLU 56 HG2 GLU 56 -18.466 6.252 -5.339 411 HG3 GLU 56 HG1 GLU 56 -18.014 5.472 -3.824 412 H LYS 57 HN LYS 57 -16.107 5.736 -4.472 413 HA LYS 57 HA LYS 57 -15.202 4.838 -1.943 414 HB2 LYS 57 HB2 LYS 57 -14.958 3.859 -4.755 415 HB3 LYS 57 HB1 LYS 57 -13.921 3.152 -3.524 416 HG2 LYS 57 HG2 LYS 57 -16.928 3.254 -3.403 417 HG3 LYS 57 HG1 LYS 57 -15.972 1.857 -3.902 418 HD2 LYS 57 HD2 LYS 57 -14.870 1.890 -1.673 419 HD3 LYS 57 HD1 LYS 57 -15.970 3.183 -1.192 420 HE2 LYS 57 HE2 LYS 57 -16.617 0.830 -0.502 421 HE3 LYS 57 HE1 LYS 57 -17.852 1.777 -1.332 422 HZ1 LYS 57 HZ1 LYS 57 -16.123 0.094 -2.977 423 HZ2 LYS 57 HZ2 LYS 57 -17.763 0.463 -3.159 424 HZ3 LYS 57 HZ3 LYS 57 -17.278 -0.690 -2.021 425 H MET 58 HN MET 58 -13.831 6.519 -1.190 426 HA MET 58 HA MET 58 -11.344 6.981 -2.638 427 HB2 MET 58 HB2 MET 58 -12.163 8.171 0.010 428 HB3 MET 58 HB1 MET 58 -10.943 8.769 -1.107 429 HG2 MET 58 HG2 MET 58 -12.434 9.935 -2.263 430 HG3 MET 58 HG1 MET 58 -13.546 8.571 -2.356 431 HE1 MET 58 HE1 MET 58 -11.843 10.371 0.356 432 HE2 MET 58 HE2 MET 58 -12.972 9.916 1.633 433 HE3 MET 58 HE3 MET 58 -13.004 11.550 0.968 434 H MET 59 HN MET 59 -9.737 5.594 -2.345 435 HA MET 59 HA MET 59 -8.994 4.819 0.362 436 HB2 MET 59 HB2 MET 59 -9.444 2.789 -1.834 437 HB3 MET 59 HB1 MET 59 -8.783 2.446 -0.241 438 HG2 MET 59 HG2 MET 59 -10.911 1.874 0.195 439 HG3 MET 59 HG1 MET 59 -11.080 3.604 0.484 440 HE1 MET 59 HE1 MET 59 -12.869 0.780 -0.901 441 HE2 MET 59 HE2 MET 59 -11.558 0.692 -2.078 442 HE3 MET 59 HE3 MET 59 -13.192 1.098 -2.605 443 H LEU 60 HN LEU 60 -6.845 3.695 0.382 444 HA LEU 60 HA LEU 60 -5.151 4.679 -1.821 445 HB2 LEU 60 HB2 LEU 60 -4.712 4.685 1.147 446 HB3 LEU 60 HB1 LEU 60 -3.348 4.700 0.045 447 HG LEU 60 HG LEU 60 -5.463 6.745 -0.379 448 HD11 LEU 60 HD11 LEU 60 -3.911 8.108 1.309 449 HD12 LEU 60 HD12 LEU 60 -3.811 6.516 2.062 450 HD13 LEU 60 HD13 LEU 60 -5.382 7.279 1.819 451 HD21 LEU 60 HD21 LEU 60 -3.750 7.975 -1.312 452 HD22 LEU 60 HD22 LEU 60 -3.258 6.327 -1.698 453 HD23 LEU 60 HD23 LEU 60 -2.508 7.177 -0.347 454 H ARG 61 HN ARG 61 -3.598 3.326 -2.632 455 HA ARG 61 HA ARG 61 -3.399 0.648 -1.429 456 HB2 ARG 61 HB2 ARG 61 -4.855 0.488 -3.366 457 HB3 ARG 61 HB1 ARG 61 -3.665 1.308 -4.366 458 HG2 ARG 61 HG2 ARG 61 -2.586 -0.587 -4.788 459 HG3 ARG 61 HG1 ARG 61 -2.544 -1.028 -3.080 460 HD2 ARG 61 HD2 ARG 61 -5.122 -1.512 -3.572 461 HD3 ARG 61 HD1 ARG 61 -4.484 -1.770 -5.194 462 HE ARG 61 HE ARG 61 -2.918 -3.167 -3.307 463 HH11 ARG 61 HH11 ARG 61 -6.042 -3.272 -4.858 464 HH12 ARG 61 HH12 ARG 61 -6.193 -4.991 -4.718 465 HH21 ARG 61 HH21 ARG 61 -3.115 -5.429 -3.122 466 HH22 ARG 61 HH22 ARG 61 -4.532 -6.216 -3.732 467 H LEU 62 HN LEU 62 -1.410 -0.280 -1.398 468 HA LEU 62 HA LEU 62 0.807 1.278 -2.556 469 HB2 LEU 62 HB2 LEU 62 0.923 -0.333 -0.010 470 HB3 LEU 62 HB1 LEU 62 2.172 0.713 -0.658 471 HG LEU 62 HG LEU 62 -0.513 1.801 0.135 472 HD11 LEU 62 HD11 LEU 62 0.109 2.075 2.332 473 HD12 LEU 62 HD12 LEU 62 1.829 1.899 1.980 474 HD13 LEU 62 HD13 LEU 62 0.778 0.482 1.975 475 HD21 LEU 62 HD21 LEU 62 0.516 3.879 0.080 476 HD22 LEU 62 HD22 LEU 62 1.251 3.043 -1.288 477 HD23 LEU 62 HD23 LEU 62 2.134 3.194 0.232 478 H ILE 63 HN ILE 63 2.455 0.162 -3.536 479 HA ILE 63 HA ILE 63 2.047 -2.744 -3.835 480 HB ILE 63 HB ILE 63 3.336 -0.956 -5.889 481 HG12 ILE 63 HG12 ILE 63 1.029 -0.229 -5.628 482 HG13 ILE 63 HG11 ILE 63 1.200 -1.117 -7.139 483 HG21 ILE 63 HG21 ILE 63 2.812 -3.820 -5.630 484 HG22 ILE 63 HG22 ILE 63 3.980 -2.963 -6.636 485 HG23 ILE 63 HG23 ILE 63 2.309 -3.132 -7.174 486 HD11 ILE 63 HD11 ILE 63 0.051 -2.968 -6.313 487 HD12 ILE 63 HD12 ILE 63 -0.852 -1.580 -5.705 488 HD13 ILE 63 HD13 ILE 63 0.246 -2.455 -4.637 489 H GLY 64 HN GLY 64 3.798 -4.086 -3.661 490 HA2 GLY 64 HA2 GLY 64 6.270 -2.818 -2.686 491 HA3 GLY 64 HA1 GLY 64 5.756 -4.458 -2.317 492 H LYS 65 HN LYS 65 8.324 -3.704 -3.295 493 HA LYS 65 HA LYS 65 8.372 -4.459 -6.098 494 HB2 LYS 65 HB2 LYS 65 10.900 -4.252 -5.740 495 HB3 LYS 65 HB1 LYS 65 9.943 -2.784 -5.617 496 HG2 LYS 65 HG2 LYS 65 10.235 -4.128 -3.061 497 HG3 LYS 65 HG1 LYS 65 11.785 -3.698 -3.785 498 HD2 LYS 65 HD2 LYS 65 9.575 -1.689 -3.713 499 HD3 LYS 65 HD1 LYS 65 10.532 -1.989 -2.261 500 HE2 LYS 65 HE2 LYS 65 11.424 -0.120 -3.575 501 HE3 LYS 65 HE1 LYS 65 12.571 -1.455 -3.465 502 HZ1 LYS 65 HZ1 LYS 65 10.777 -0.971 -5.782 503 HZ2 LYS 65 HZ2 LYS 65 12.000 -2.135 -5.676 504 HZ3 LYS 65 HZ3 LYS 65 12.399 -0.492 -5.711 505 H VAL 66 HN VAL 66 8.363 -6.506 -6.703 506 HA VAL 66 HA VAL 66 8.634 -8.691 -4.968 507 HB VAL 66 HB VAL 66 9.072 -8.765 -7.953 508 HG11 VAL 66 HG11 VAL 66 8.990 -10.991 -7.802 509 HG12 VAL 66 HG12 VAL 66 7.626 -10.951 -6.684 510 HG13 VAL 66 HG13 VAL 66 9.271 -10.766 -6.076 511 HG21 VAL 66 HG21 VAL 66 6.621 -8.319 -6.356 512 HG22 VAL 66 HG22 VAL 66 6.499 -9.445 -7.708 513 HG23 VAL 66 HG23 VAL 66 7.026 -7.786 -7.988 514 H ASP 67 HN ASP 67 10.299 -10.076 -4.509 515 HA ASP 67 HA ASP 67 12.972 -9.049 -4.969 516 HB2 ASP 67 HB2 ASP 67 11.731 -11.031 -3.134 517 HB3 ASP 67 HB1 ASP 67 13.424 -11.277 -3.548 518 H GLU 68 HN GLU 68 13.189 -9.442 -7.208 519 HA GLU 68 HA GLU 68 12.757 -11.847 -8.526 520 HB2 GLU 68 HB2 GLU 68 14.302 -11.026 -10.229 521 HB3 GLU 68 HB1 GLU 68 13.238 -9.737 -9.681 522 HG2 GLU 68 HG2 GLU 68 15.142 -9.094 -8.099 523 HG3 GLU 68 HG1 GLU 68 16.148 -10.137 -9.104 524 H SER 69 HN SER 69 15.387 -10.867 -6.458 525 HA SER 69 HA SER 69 17.244 -12.863 -7.221 526 HB2 SER 69 HB2 SER 69 17.712 -10.746 -5.876 527 HB3 SER 69 HB1 SER 69 17.063 -11.608 -4.481 528 HG SER 69 HG SER 69 19.348 -12.233 -6.025 529 H LYS 70 HN LYS 70 14.519 -12.828 -5.043 530 HA LYS 70 HA LYS 70 15.207 -15.275 -3.713 531 HB2 LYS 70 HB2 LYS 70 12.612 -13.730 -3.840 532 HB3 LYS 70 HB1 LYS 70 12.884 -15.133 -2.816 533 HG2 LYS 70 HG2 LYS 70 14.850 -12.959 -2.546 534 HG3 LYS 70 HG1 LYS 70 13.210 -12.593 -2.004 535 HD2 LYS 70 HD2 LYS 70 13.247 -14.600 -0.586 536 HD3 LYS 70 HD1 LYS 70 14.899 -14.930 -1.111 537 HE2 LYS 70 HE2 LYS 70 15.778 -13.323 0.209 538 HE3 LYS 70 HE1 LYS 70 14.421 -12.227 -0.046 539 HZ1 LYS 70 HZ1 LYS 70 14.601 -14.488 1.858 540 HZ2 LYS 70 HZ2 LYS 70 13.128 -13.761 1.455 541 HZ3 LYS 70 HZ3 LYS 70 14.342 -12.851 2.201 542 H LYS 71 HN LYS 71 12.725 -14.382 -6.111 543 HA LYS 71 HA LYS 71 11.701 -16.950 -6.516 544 HB2 LYS 71 HB2 LYS 71 10.764 -16.082 -8.589 545 HB3 LYS 71 HB1 LYS 71 10.592 -14.898 -7.301 546 HG2 LYS 71 HG2 LYS 71 12.696 -13.816 -8.200 547 HG3 LYS 71 HG1 LYS 71 12.512 -14.865 -9.608 548 HD2 LYS 71 HD2 LYS 71 10.120 -13.930 -9.731 549 HD3 LYS 71 HD1 LYS 71 10.707 -12.669 -8.645 550 HE2 LYS 71 HE2 LYS 71 11.227 -11.621 -10.572 551 HE3 LYS 71 HE1 LYS 71 12.659 -12.647 -10.502 552 HZ1 LYS 71 HZ1 LYS 71 11.067 -12.530 -12.611 553 HZ2 LYS 71 HZ2 LYS 71 10.306 -13.790 -11.778 554 HZ3 LYS 71 HZ3 LYS 71 11.938 -13.922 -12.200 555 H ARG 72 HN ARG 72 11.864 -18.158 -8.641 556 HA ARG 72 HA ARG 72 14.295 -17.999 -10.127 557 HB2 ARG 72 HB2 ARG 72 15.289 -20.107 -9.423 558 HB3 ARG 72 HB1 ARG 72 15.161 -19.009 -8.055 559 HG2 ARG 72 HG2 ARG 72 13.106 -20.198 -7.352 560 HG3 ARG 72 HG1 ARG 72 13.367 -21.348 -8.665 561 HD2 ARG 72 HD2 ARG 72 14.245 -22.317 -6.672 562 HD3 ARG 72 HD1 ARG 72 15.611 -21.838 -7.679 563 HE ARG 72 HE ARG 72 16.266 -20.434 -6.012 564 HH11 ARG 72 HH11 ARG 72 12.868 -21.111 -5.591 565 HH12 ARG 72 HH12 ARG 72 12.753 -20.247 -4.095 566 HH21 ARG 72 HH21 ARG 72 16.117 -19.297 -4.044 567 HH22 ARG 72 HH22 ARG 72 14.597 -19.216 -3.217 568 H LYS 73 HN LYS 73 14.528 -20.407 -11.243 569 HA LYS 73 HA LYS 73 11.835 -20.984 -12.292 570 HB2 LYS 73 HB2 LYS 73 13.088 -21.691 -14.391 571 HB3 LYS 73 HB1 LYS 73 13.038 -19.966 -14.051 572 HG2 LYS 73 HG2 LYS 73 15.299 -20.095 -13.113 573 HG3 LYS 73 HG1 LYS 73 15.347 -21.818 -13.493 574 HD2 LYS 73 HD2 LYS 73 14.649 -20.787 -15.898 575 HD3 LYS 73 HD1 LYS 73 15.642 -19.478 -15.255 576 HE2 LYS 73 HE2 LYS 73 17.544 -20.691 -15.361 577 HE3 LYS 73 HE1 LYS 73 16.734 -22.193 -14.919 578 HZ1 LYS 73 HZ1 LYS 73 16.089 -22.578 -17.101 579 HZ2 LYS 73 HZ2 LYS 73 17.659 -21.973 -17.272 580 HZ3 LYS 73 HZ3 LYS 73 16.330 -20.972 -17.577 581 H ASP 74 HN ASP 74 11.292 -22.755 -11.103 582 HA ASP 74 HA ASP 74 12.889 -25.162 -11.583 583 HB2 ASP 74 HB2 ASP 74 12.634 -25.868 -9.236 584 HB3 ASP 74 HB1 ASP 74 13.556 -24.373 -9.366 585 H ASN 75 HN ASN 75 10.475 -24.267 -12.806 586 HA ASN 75 HA ASN 75 8.535 -26.215 -11.744 587 HB2 ASN 75 HB2 ASN 75 8.037 -23.613 -11.994 588 HB3 ASN 75 HB1 ASN 75 7.681 -24.088 -13.652 589 HD21 ASN 75 HD21 ASN 75 6.179 -23.341 -10.994 590 HD22 ASN 75 HD22 ASN 75 4.846 -24.440 -11.016 591 H GLU 76 HN GLU 76 9.164 -24.628 -14.878 592 HA GLU 76 HA GLU 76 9.480 -27.236 -16.137 593 HB2 GLU 76 HB2 GLU 76 7.020 -26.574 -16.171 594 HB3 GLU 76 HB1 GLU 76 7.486 -25.267 -17.251 595 HG2 GLU 76 HG2 GLU 76 6.836 -26.883 -18.737 596 HG3 GLU 76 HG1 GLU 76 8.574 -27.169 -18.648 597 H GLY 77 HN GLY 77 11.314 -25.114 -15.625 598 HA2 GLY 77 HA2 GLY 77 13.094 -24.204 -16.785 599 HA3 GLY 77 HA1 GLY 77 12.371 -24.792 -18.274 600 H ASN 78 HN ASN 78 11.651 -22.368 -15.757 601 HA ASN 78 HA ASN 78 11.825 -20.158 -17.469 602 HB2 ASN 78 HB2 ASN 78 9.552 -21.581 -18.040 603 HB3 ASN 78 HB1 ASN 78 8.955 -20.401 -16.878 604 HD21 ASN 78 HD21 ASN 78 10.619 -20.799 -19.939 605 HD22 ASN 78 HD22 ASN 78 10.224 -19.241 -20.571 606 H GLU 79 HN GLU 79 12.078 -18.416 -16.226 607 HA GLU 79 HA GLU 79 11.704 -18.626 -13.389 608 HB2 GLU 79 HB2 GLU 79 12.889 -16.632 -15.255 609 HB3 GLU 79 HB1 GLU 79 12.389 -16.064 -13.668 610 HG2 GLU 79 HG2 GLU 79 13.760 -18.135 -12.838 611 HG3 GLU 79 HG1 GLU 79 14.545 -17.974 -14.409 612 H VAL 80 HN VAL 80 9.793 -18.356 -12.458 613 HA VAL 80 HA VAL 80 8.022 -16.236 -13.487 614 HB VAL 80 HB VAL 80 7.085 -18.436 -14.013 615 HG11 VAL 80 HG11 VAL 80 6.982 -18.933 -11.043 616 HG12 VAL 80 HG12 VAL 80 8.192 -19.631 -12.120 617 HG13 VAL 80 HG13 VAL 80 6.487 -20.029 -12.333 618 HG21 VAL 80 HG21 VAL 80 5.663 -16.846 -11.891 619 HG22 VAL 80 HG22 VAL 80 4.899 -18.164 -12.780 620 HG23 VAL 80 HG23 VAL 80 5.477 -16.738 -13.642 621 H VAL 81 HN VAL 81 6.945 -14.978 -11.992 622 HA VAL 81 HA VAL 81 8.042 -15.075 -9.284 623 HB VAL 81 HB VAL 81 8.197 -12.945 -10.510 624 HG11 VAL 81 HG11 VAL 81 5.354 -12.292 -10.229 625 HG12 VAL 81 HG12 VAL 81 5.708 -13.512 -11.452 626 HG13 VAL 81 HG13 VAL 81 6.481 -11.929 -11.536 627 HG21 VAL 81 HG21 VAL 81 8.177 -12.807 -8.127 628 HG22 VAL 81 HG22 VAL 81 6.421 -12.960 -8.076 629 HG23 VAL 81 HG23 VAL 81 7.160 -11.505 -8.744 630 HA PRO 82 HA PRO 82 4.147 -16.595 -7.757 631 HB2 PRO 82 HB2 PRO 82 4.628 -16.419 -5.125 632 HB3 PRO 82 HB1 PRO 82 5.469 -17.595 -6.142 633 HG2 PRO 82 HG2 PRO 82 6.423 -14.950 -5.119 634 HG3 PRO 82 HG1 PRO 82 7.293 -16.492 -5.215 635 HD2 PRO 82 HD2 PRO 82 7.561 -14.461 -7.042 636 HD3 PRO 82 HD1 PRO 82 7.858 -16.171 -7.410 637 H LYS 83 HN LYS 83 3.731 -14.121 -8.728 638 HA LYS 83 HA LYS 83 2.392 -12.298 -8.541 639 HB2 LYS 83 HB2 LYS 83 1.462 -14.063 -6.353 640 HB3 LYS 83 HB1 LYS 83 0.982 -12.375 -6.241 641 HG2 LYS 83 HG2 LYS 83 0.356 -12.845 -8.804 642 HG3 LYS 83 HG1 LYS 83 0.142 -14.466 -8.141 643 HD2 LYS 83 HD2 LYS 83 -1.677 -13.874 -6.944 644 HD3 LYS 83 HD1 LYS 83 -1.016 -12.290 -6.535 645 HE2 LYS 83 HE2 LYS 83 -1.746 -12.711 -9.364 646 HE3 LYS 83 HE1 LYS 83 -3.084 -12.656 -8.217 647 HZ1 LYS 83 HZ1 LYS 83 -2.091 -10.527 -7.391 648 HZ2 LYS 83 HZ2 LYS 83 -2.720 -10.461 -8.960 649 HZ3 LYS 83 HZ3 LYS 83 -1.048 -10.563 -8.723 650 HA PRO 84 HA PRO 84 4.890 -9.568 -6.080 651 HB2 PRO 84 HB2 PRO 84 3.713 -7.233 -6.702 652 HB3 PRO 84 HB1 PRO 84 4.676 -8.133 -7.880 653 HG2 PRO 84 HG2 PRO 84 1.701 -8.002 -7.568 654 HG3 PRO 84 HG1 PRO 84 2.674 -7.947 -9.050 655 HD2 PRO 84 HD2 PRO 84 1.414 -10.201 -8.151 656 HD3 PRO 84 HD1 PRO 84 2.886 -10.228 -9.140 657 H GLN 85 HN GLN 85 4.197 -7.349 -4.770 658 HA GLN 85 HA GLN 85 2.167 -8.252 -2.834 659 HB2 GLN 85 HB2 GLN 85 4.781 -6.823 -2.473 660 HB3 GLN 85 HB1 GLN 85 3.508 -6.660 -1.271 661 HG2 GLN 85 HG2 GLN 85 4.303 -8.495 -0.326 662 HG3 GLN 85 HG1 GLN 85 3.676 -9.388 -1.711 663 HE21 GLN 85 HE21 GLN 85 6.449 -8.340 -0.037 664 HE22 GLN 85 HE22 GLN 85 7.633 -9.000 -1.108 665 H ARG 86 HN ARG 86 0.485 -6.952 -2.416 666 HA ARG 86 HA ARG 86 0.639 -4.102 -2.928 667 HB2 ARG 86 HB2 ARG 86 -1.526 -5.685 -4.304 668 HB3 ARG 86 HB1 ARG 86 -1.119 -3.988 -4.521 669 HG2 ARG 86 HG2 ARG 86 0.995 -4.623 -5.562 670 HG3 ARG 86 HG1 ARG 86 0.594 -6.327 -5.337 671 HD2 ARG 86 HD2 ARG 86 -1.022 -6.301 -6.967 672 HD3 ARG 86 HD1 ARG 86 -1.340 -4.578 -6.775 673 HE ARG 86 HE ARG 86 1.223 -4.757 -7.759 674 HH11 ARG 86 HH11 ARG 86 -1.953 -5.754 -8.808 675 HH12 ARG 86 HH12 ARG 86 -1.575 -5.619 -10.492 676 HH21 ARG 86 HH21 ARG 86 1.721 -4.579 -9.974 677 HH22 ARG 86 HH22 ARG 86 0.510 -4.953 -11.155 678 H HIS 87 HN HIS 87 -0.325 -3.129 -1.270 679 HA HIS 87 HA HIS 87 -2.560 -4.517 0.063 680 HB2 HIS 87 HB2 HIS 87 -0.346 -2.829 1.224 681 HB3 HIS 87 HB1 HIS 87 -1.825 -3.180 2.111 682 HD1 HIS 87 HD1 HIS 87 -2.310 -5.976 2.109 683 HD2 HIS 87 HD2 HIS 87 1.597 -4.591 1.829 684 HE1 HIS 87 HE1 HIS 87 -0.861 -7.902 2.826 685 HE2 HIS 87 HE2 HIS 87 1.494 -7.011 2.735 686 H MET 88 HN MET 88 -4.212 -3.163 0.996 687 HA MET 88 HA MET 88 -4.317 -0.434 -0.080 688 HB2 MET 88 HB2 MET 88 -6.762 -0.826 -0.576 689 HB3 MET 88 HB1 MET 88 -5.632 -1.652 -1.640 690 HG2 MET 88 HG2 MET 88 -7.227 -3.264 -1.202 691 HG3 MET 88 HG1 MET 88 -5.937 -3.658 -0.068 692 HE1 MET 88 HE1 MET 88 -9.566 -2.272 -0.527 693 HE2 MET 88 HE2 MET 88 -8.687 -0.838 0.005 694 HE3 MET 88 HE3 MET 88 -9.895 -1.573 1.058 695 H PHE 89 HN PHE 89 -5.532 1.043 1.112 696 HA PHE 89 HA PHE 89 -6.532 0.093 3.711 697 HB2 PHE 89 HB2 PHE 89 -4.984 2.659 3.310 698 HB3 PHE 89 HB1 PHE 89 -5.543 1.984 4.837 699 HD1 PHE 89 HD1 PHE 89 -3.306 1.255 1.959 700 HD2 PHE 89 HD2 PHE 89 -4.147 0.618 6.082 701 HE1 PHE 89 HE1 PHE 89 -1.167 0.064 2.208 702 HE2 PHE 89 HE2 PHE 89 -2.009 -0.573 6.338 703 HZ PHE 89 HZ PHE 89 -0.516 -0.851 4.400 704 H SER 90 HN SER 90 -7.985 1.704 4.776 705 HA SER 90 HA SER 90 -9.662 2.995 2.735 706 HB2 SER 90 HB2 SER 90 -10.776 2.654 5.445 707 HB3 SER 90 HB1 SER 90 -11.502 2.317 3.874 708 HG SER 90 HG SER 90 -10.006 0.669 5.539 709 H PHE 91 HN PHE 91 -10.318 5.106 2.944 710 HA PHE 91 HA PHE 91 -9.384 6.627 5.264 711 HB2 PHE 91 HB2 PHE 91 -8.594 7.078 2.406 712 HB3 PHE 91 HB1 PHE 91 -8.715 8.447 3.506 713 HD1 PHE 91 HD1 PHE 91 -7.090 5.131 3.112 714 HD2 PHE 91 HD2 PHE 91 -6.944 8.989 4.903 715 HE1 PHE 91 HE1 PHE 91 -4.825 4.653 3.947 716 HE2 PHE 91 HE2 PHE 91 -4.679 8.518 5.741 717 HZ PHE 91 HZ PHE 91 -3.616 6.348 5.263 718 H ASN 92 HN ASN 92 -10.266 8.920 5.184 719 HA ASN 92 HA ASN 92 -12.784 9.147 3.725 720 HB2 ASN 92 HB2 ASN 92 -14.002 9.785 5.792 721 HB3 ASN 92 HB1 ASN 92 -13.458 8.110 5.813 722 HD21 ASN 92 HD21 ASN 92 -13.740 8.264 8.115 723 HD22 ASN 92 HD22 ASN 92 -12.492 8.959 9.087 724 H ASN 93 HN ASN 93 -10.205 10.484 3.571 725 HA ASN 93 HA ASN 93 -11.172 13.222 3.857 726 HB2 ASN 93 HB2 ASN 93 -8.789 12.078 5.250 727 HB3 ASN 93 HB1 ASN 93 -8.706 13.736 4.664 728 HD21 ASN 93 HD21 ASN 93 -10.611 15.113 5.286 729 HD22 ASN 93 HD22 ASN 93 -11.202 14.939 6.900 730 H ARG 94 HN ARG 94 -11.016 14.070 1.898 731 HA ARG 94 HA ARG 94 -9.375 12.997 -0.149 732 HB2 ARG 94 HB2 ARG 94 -11.203 15.330 0.123 733 HB3 ARG 94 HB1 ARG 94 -10.044 15.355 -1.200 734 HG2 ARG 94 HG2 ARG 94 -10.914 13.106 -1.882 735 HG3 ARG 94 HG1 ARG 94 -12.189 13.314 -0.679 736 HD2 ARG 94 HD2 ARG 94 -11.799 15.562 -2.546 737 HD3 ARG 94 HD1 ARG 94 -12.410 14.071 -3.260 738 HE ARG 94 HE ARG 94 -13.812 14.860 -0.882 739 HH11 ARG 94 HH11 ARG 94 -13.605 15.270 -4.341 740 HH12 ARG 94 HH12 ARG 94 -15.258 15.759 -4.508 741 HH21 ARG 94 HH21 ARG 94 -15.987 15.502 -1.099 742 HH22 ARG 94 HH22 ARG 94 -16.610 15.891 -2.667 743 H THR 95 HN THR 95 -8.969 15.575 2.164 744 HA THR 95 HA THR 95 -6.649 16.673 0.834 745 HB THR 95 HB THR 95 -7.752 17.242 3.592 746 HG1 THR 95 HG1 THR 95 -8.137 18.622 1.145 747 HG21 THR 95 HG21 THR 95 -6.169 18.756 3.900 748 HG22 THR 95 HG22 THR 95 -6.389 19.416 2.279 749 HG23 THR 95 HG23 THR 95 -5.321 18.035 2.532 750 H VAL 96 HN VAL 96 -7.339 14.392 3.376 751 HA VAL 96 HA VAL 96 -4.590 14.313 4.295 752 HB VAL 96 HB VAL 96 -6.840 12.451 5.053 753 HG11 VAL 96 HG11 VAL 96 -4.209 12.159 5.553 754 HG12 VAL 96 HG12 VAL 96 -5.481 11.590 6.634 755 HG13 VAL 96 HG13 VAL 96 -4.686 13.133 6.943 756 HG21 VAL 96 HG21 VAL 96 -5.985 14.877 6.606 757 HG22 VAL 96 HG22 VAL 96 -7.421 13.878 6.829 758 HG23 VAL 96 HG23 VAL 96 -7.290 14.930 5.420 759 H MET 97 HN MET 97 -6.787 12.339 2.368 760 HA MET 97 HA MET 97 -5.257 10.023 2.159 761 HB2 MET 97 HB2 MET 97 -6.528 9.530 0.150 762 HB3 MET 97 HB1 MET 97 -7.586 10.218 1.374 763 HG2 MET 97 HG2 MET 97 -8.287 11.365 -0.459 764 HG3 MET 97 HG1 MET 97 -7.040 12.461 0.133 765 HE1 MET 97 HE1 MET 97 -6.596 9.554 -3.399 766 HE2 MET 97 HE2 MET 97 -7.776 9.457 -2.092 767 HE3 MET 97 HE3 MET 97 -6.097 9.007 -1.798 768 H ASP 98 HN ASP 98 -4.956 13.095 0.515 769 HA ASP 98 HA ASP 98 -3.057 12.118 -1.419 770 HB2 ASP 98 HB2 ASP 98 -2.849 14.471 -2.087 771 HB3 ASP 98 HB1 ASP 98 -4.540 13.994 -1.971 772 H ASN 99 HN ASN 99 -2.963 13.602 1.733 773 HA ASN 99 HA ASN 99 -0.255 14.430 1.684 774 HB2 ASN 99 HB2 ASN 99 -2.195 15.016 3.350 775 HB3 ASN 99 HB1 ASN 99 -1.615 13.600 4.223 776 HD21 ASN 99 HD21 ASN 99 -1.016 14.921 5.963 777 HD22 ASN 99 HD22 ASN 99 0.408 15.897 5.907 778 H ILE 100 HN ILE 100 -1.827 11.388 2.338 779 HA ILE 100 HA ILE 100 0.432 10.137 3.572 780 HB ILE 100 HB ILE 100 -1.941 8.823 2.240 781 HG12 ILE 100 HG12 ILE 100 -2.574 10.432 4.034 782 HG13 ILE 100 HG11 ILE 100 -2.978 8.764 4.427 783 HG21 ILE 100 HG21 ILE 100 -1.383 6.959 3.813 784 HG22 ILE 100 HG22 ILE 100 0.116 7.808 4.191 785 HG23 ILE 100 HG23 ILE 100 -0.186 7.240 2.548 786 HD11 ILE 100 HD11 ILE 100 -1.911 10.284 6.222 787 HD12 ILE 100 HD12 ILE 100 -0.404 9.941 5.372 788 HD13 ILE 100 HD13 ILE 100 -1.353 8.620 6.054 789 H LYS 101 HN LYS 101 -1.057 9.892 0.348 790 HA LYS 101 HA LYS 101 0.809 8.132 -0.766 791 HB2 LYS 101 HB2 LYS 101 -1.357 8.627 -1.803 792 HB3 LYS 101 HB1 LYS 101 -0.831 10.271 -2.138 793 HG2 LYS 101 HG2 LYS 101 1.093 9.104 -3.440 794 HG3 LYS 101 HG1 LYS 101 0.004 7.716 -3.430 795 HD2 LYS 101 HD2 LYS 101 -1.082 10.364 -4.247 796 HD3 LYS 101 HD1 LYS 101 -0.045 9.496 -5.381 797 HE2 LYS 101 HE2 LYS 101 -1.517 7.527 -5.170 798 HE3 LYS 101 HE1 LYS 101 -2.572 8.455 -4.105 799 HZ1 LYS 101 HZ1 LYS 101 -3.327 9.742 -5.819 800 HZ2 LYS 101 HZ2 LYS 101 -3.071 8.285 -6.640 801 HZ3 LYS 101 HZ3 LYS 101 -1.936 9.533 -6.760 802 H MET 102 HN MET 102 0.711 11.685 -0.791 803 HA MET 102 HA MET 102 2.975 12.106 -2.375 804 HB2 MET 102 HB2 MET 102 2.949 14.355 -1.595 805 HB3 MET 102 HB1 MET 102 1.273 13.831 -1.669 806 HG2 MET 102 HG2 MET 102 1.200 13.533 0.705 807 HG3 MET 102 HG1 MET 102 2.926 13.861 0.843 808 HE1 MET 102 HE1 MET 102 -0.698 16.041 0.444 809 HE2 MET 102 HE2 MET 102 -0.089 15.094 -0.914 810 HE3 MET 102 HE3 MET 102 0.049 16.852 -0.932 811 H THR 103 HN THR 103 2.664 11.272 0.994 812 HA THR 103 HA THR 103 5.406 11.883 1.637 813 HB THR 103 HB THR 103 3.351 10.301 3.194 814 HG1 THR 103 HG1 THR 103 4.107 13.027 3.383 815 HG21 THR 103 HG21 THR 103 4.663 10.578 5.114 816 HG22 THR 103 HG22 THR 103 5.752 11.707 4.308 817 HG23 THR 103 HG23 THR 103 5.768 9.999 3.867 818 H LEU 104 HN LEU 104 3.624 9.159 0.449 819 HA LEU 104 HA LEU 104 5.692 7.244 1.104 820 HB2 LEU 104 HB2 LEU 104 3.230 6.956 -0.620 821 HB3 LEU 104 HB1 LEU 104 4.279 5.644 -0.116 822 HG LEU 104 HG LEU 104 3.052 7.315 2.017 823 HD11 LEU 104 HD11 LEU 104 1.044 7.056 0.969 824 HD12 LEU 104 HD12 LEU 104 1.125 5.521 1.833 825 HD13 LEU 104 HD13 LEU 104 1.547 5.593 0.122 826 HD21 LEU 104 HD21 LEU 104 4.424 5.653 2.867 827 HD22 LEU 104 HD22 LEU 104 3.938 4.482 1.640 828 HD23 LEU 104 HD23 LEU 104 2.827 4.907 2.942 829 H GLN 105 HN GLN 105 4.773 9.256 -1.574 830 HA GLN 105 HA GLN 105 6.370 7.835 -3.507 831 HB2 GLN 105 HB2 GLN 105 5.719 9.558 -5.056 832 HB3 GLN 105 HB1 GLN 105 4.308 9.095 -4.116 833 HG2 GLN 105 HG2 GLN 105 4.619 11.069 -2.699 834 HG3 GLN 105 HG1 GLN 105 6.005 11.542 -3.681 835 HE21 GLN 105 HE21 GLN 105 5.238 13.401 -4.522 836 HE22 GLN 105 HE22 GLN 105 3.855 13.508 -5.552 837 H GLN 106 HN GLN 106 6.759 10.558 -1.356 838 HA GLN 106 HA GLN 106 9.114 11.595 -2.584 839 HB2 GLN 106 HB2 GLN 106 9.314 12.989 -0.617 840 HB3 GLN 106 HB1 GLN 106 7.634 12.945 -1.131 841 HG2 GLN 106 HG2 GLN 106 7.123 11.334 0.614 842 HG3 GLN 106 HG1 GLN 106 8.814 11.326 1.115 843 HE21 GLN 106 HE21 GLN 106 6.265 13.709 0.444 844 HE22 GLN 106 HE22 GLN 106 6.566 14.676 1.843 845 H ILE 107 HN ILE 107 8.497 9.385 0.108 846 HA ILE 107 HA ILE 107 11.214 9.129 0.896 847 HB ILE 107 HB ILE 107 8.981 7.144 1.339 848 HG12 ILE 107 HG12 ILE 107 9.855 9.237 3.312 849 HG13 ILE 107 HG11 ILE 107 8.646 9.611 2.088 850 HG21 ILE 107 HG21 ILE 107 10.915 6.032 1.941 851 HG22 ILE 107 HG22 ILE 107 10.432 6.778 3.464 852 HG23 ILE 107 HG23 ILE 107 11.714 7.504 2.495 853 HD11 ILE 107 HD11 ILE 107 8.456 7.464 4.185 854 HD12 ILE 107 HD12 ILE 107 7.256 7.773 2.930 855 HD13 ILE 107 HD13 ILE 107 7.582 8.995 4.160 856 H ILE 108 HN ILE 108 9.082 7.063 -1.072 857 HA ILE 108 HA ILE 108 11.041 5.111 -1.651 858 HB ILE 108 HB ILE 108 8.623 5.822 -3.316 859 HG12 ILE 108 HG12 ILE 108 8.766 3.648 -1.237 860 HG13 ILE 108 HG11 ILE 108 8.268 5.284 -0.818 861 HG21 ILE 108 HG21 ILE 108 10.422 3.420 -3.208 862 HG22 ILE 108 HG22 ILE 108 9.996 4.415 -4.600 863 HG23 ILE 108 HG23 ILE 108 8.794 3.344 -3.881 864 HD11 ILE 108 HD11 ILE 108 6.249 4.288 -1.196 865 HD12 ILE 108 HD12 ILE 108 6.878 3.240 -2.467 866 HD13 ILE 108 HD13 ILE 108 6.590 4.949 -2.795 867 H SER 109 HN SER 109 9.907 7.947 -3.466 868 HA SER 109 HA SER 109 11.552 7.553 -5.721 869 HB2 SER 109 HB2 SER 109 10.975 9.804 -6.345 870 HB3 SER 109 HB1 SER 109 9.550 9.073 -5.607 871 HG SER 109 HG SER 109 10.302 10.117 -3.611 872 H ARG 110 HN ARG 110 12.127 8.997 -2.601 873 HA ARG 110 HA ARG 110 14.496 10.405 -3.288 874 HB2 ARG 110 HB2 ARG 110 13.056 9.694 -0.813 875 HB3 ARG 110 HB1 ARG 110 14.790 9.919 -0.628 876 HG2 ARG 110 HG2 ARG 110 14.427 12.130 -1.886 877 HG3 ARG 110 HG1 ARG 110 12.720 11.895 -1.504 878 HD2 ARG 110 HD2 ARG 110 13.648 11.495 0.919 879 HD3 ARG 110 HD1 ARG 110 15.025 12.415 0.316 880 HE ARG 110 HE ARG 110 12.648 13.784 -0.302 881 HH11 ARG 110 HH11 ARG 110 14.637 12.952 2.442 882 HH12 ARG 110 HH12 ARG 110 14.165 14.340 3.364 883 HH21 ARG 110 HH21 ARG 110 12.026 15.611 0.909 884 HH22 ARG 110 HH22 ARG 110 12.683 15.850 2.494 885 H TYR 111 HN TYR 111 13.840 7.151 -2.109 886 HA TYR 111 HA TYR 111 16.678 6.535 -1.959 887 HB2 TYR 111 HB2 TYR 111 14.300 4.729 -1.483 888 HB3 TYR 111 HB1 TYR 111 15.976 4.378 -1.077 889 HD1 TYR 111 HD2 TYR 111 16.784 7.002 0.091 890 HD2 TYR 111 HD1 TYR 111 13.241 4.703 0.606 891 HE1 TYR 111 HE2 TYR 111 16.459 8.011 2.309 892 HE2 TYR 111 HE1 TYR 111 12.906 5.706 2.825 893 HH TYR 111 HH TYR 111 14.162 6.814 4.555 894 H LYS 112 HN LYS 112 14.247 6.469 -4.304 895 HA LYS 112 HA LYS 112 15.053 4.130 -5.725 896 HB2 LYS 112 HB2 LYS 112 13.226 6.419 -6.213 897 HB3 LYS 112 HB1 LYS 112 13.823 5.565 -7.630 898 HG2 LYS 112 HG2 LYS 112 13.065 3.475 -6.125 899 HG3 LYS 112 HG1 LYS 112 11.929 4.696 -5.548 900 HD2 LYS 112 HD2 LYS 112 11.770 5.104 -8.212 901 HD3 LYS 112 HD1 LYS 112 12.127 3.376 -8.178 902 HE2 LYS 112 HE2 LYS 112 9.781 3.525 -8.139 903 HE3 LYS 112 HE1 LYS 112 10.252 3.178 -6.476 904 HZ1 LYS 112 HZ1 LYS 112 8.680 4.876 -6.321 905 HZ2 LYS 112 HZ2 LYS 112 9.327 5.742 -7.621 906 HZ3 LYS 112 HZ3 LYS 112 10.159 5.680 -6.150 907 H ASP 113 HN ASP 113 16.017 7.486 -5.729 908 HA ASP 113 HA ASP 113 17.827 6.983 -7.988 909 HB2 ASP 113 HB2 ASP 113 16.481 9.409 -6.918 910 HB3 ASP 113 HB1 ASP 113 18.083 9.624 -7.616 911 H ALA 114 HN ALA 114 17.709 7.727 -4.597 912 HA ALA 114 HA ALA 114 19.307 7.921 -2.991 913 HB1 ALA 114 HB1 ALA 114 19.931 5.730 -4.385 914 HB2 ALA 114 HB2 ALA 114 20.891 6.301 -3.020 915 HB3 ALA 114 HB3 ALA 114 21.396 6.669 -4.669 916 H ASP 115 HN ASP 115 19.009 10.202 -4.437 917 HA ASP 115 HA ASP 115 19.996 12.198 -4.896 918 HB2 ASP 115 HB2 ASP 115 21.259 11.284 -2.687 919 HB3 ASP 115 HB1 ASP 115 22.629 11.419 -3.785 920 H1 ASP 453 HN ASP 453 -10.387 -12.931 2.455 921 HA ASP 453 HA ASP 453 -9.127 -12.711 -0.199 922 HB2 ASP 453 HB2 ASP 453 -11.252 -14.481 0.890 923 HB3 ASP 453 HB1 ASP 453 -11.442 -13.939 -0.774 924 H LEU 454 HN LEU 454 -9.391 -10.365 0.052 925 HA LEU 454 HA LEU 454 -12.070 -9.541 -0.821 926 HB2 LEU 454 HB2 LEU 454 -11.269 -9.026 1.684 927 HB3 LEU 454 HB1 LEU 454 -10.551 -7.645 0.876 928 HG LEU 454 HG LEU 454 -12.819 -7.099 -0.048 929 HD11 LEU 454 HD11 LEU 454 -14.103 -8.739 2.040 930 HD12 LEU 454 HD12 LEU 454 -13.511 -9.605 0.622 931 HD13 LEU 454 HD13 LEU 454 -14.673 -8.292 0.432 932 HD21 LEU 454 HD21 LEU 454 -11.729 -6.196 2.120 933 HD22 LEU 454 HD22 LEU 454 -12.946 -7.174 2.940 934 HD23 LEU 454 HD23 LEU 454 -13.443 -5.896 1.831 935 H ASP 455 HN ASP 455 -9.119 -9.901 -1.872 936 HA ASP 455 HA ASP 455 -8.629 -7.240 -2.925 937 HB2 ASP 455 HB2 ASP 455 -7.128 -9.826 -3.384 938 HB3 ASP 455 HB1 ASP 455 -6.600 -8.225 -3.894 939 H GLU 456 HN GLU 456 -10.846 -9.370 -3.738 940 HA GLU 456 HA GLU 456 -10.340 -9.496 -6.599 941 HB2 GLU 456 HB2 GLU 456 -12.368 -10.844 -6.704 942 HB3 GLU 456 HB1 GLU 456 -11.289 -11.456 -5.459 943 HG2 GLU 456 HG2 GLU 456 -12.644 -10.239 -3.770 944 HG3 GLU 456 HG1 GLU 456 -13.772 -9.808 -5.055 945 H SER 457 HN SER 457 -12.320 -7.758 -4.305 946 HA SER 457 HA SER 457 -13.887 -6.501 -6.409 947 HB2 SER 457 HB2 SER 457 -14.848 -5.232 -4.365 948 HB3 SER 457 HB1 SER 457 -15.211 -6.951 -4.525 949 HG SER 457 HG SER 457 -14.236 -5.870 -2.440 950 H TRP 458 HN TRP 458 -11.202 -5.791 -4.299 951 HA TRP 458 HA TRP 458 -11.215 -2.971 -4.983 952 HB2 TRP 458 HB2 TRP 458 -9.115 -4.478 -3.424 953 HB3 TRP 458 HB1 TRP 458 -9.394 -2.741 -3.442 954 HD1 TRP 458 HD1 TRP 458 -9.662 -5.172 -1.015 955 HE1 TRP 458 HE1 TRP 458 -11.680 -4.897 0.557 956 HE3 TRP 458 HE3 TRP 458 -12.503 -2.026 -3.878 957 HZ2 TRP 458 HZ2 TRP 458 -14.147 -3.529 0.582 958 HZ3 TRP 458 HZ3 TRP 458 -14.678 -1.282 -3.005 959 HH2 TRP 458 HH2 TRP 458 -15.482 -2.018 -0.821 960 H ASP 459 HN ASP 459 -10.274 -5.660 -6.595 961 HA ASP 459 HA ASP 459 -7.694 -4.831 -7.525 962 HB2 ASP 459 HB2 ASP 459 -9.063 -7.210 -7.527 963 HB3 ASP 459 HB1 ASP 459 -9.168 -6.725 -9.216 964 H TYR 460 HN TYR 460 -10.959 -4.159 -8.442 965 HA TYR 460 HA TYR 460 -10.096 -3.129 -11.044 966 HB2 TYR 460 HB2 TYR 460 -12.510 -2.916 -11.535 967 HB3 TYR 460 HB1 TYR 460 -12.049 -4.560 -11.111 968 HD1 TYR 460 HD2 TYR 460 -13.381 -1.453 -9.515 969 HD2 TYR 460 HD1 TYR 460 -13.347 -5.707 -9.582 970 HE1 TYR 460 HE2 TYR 460 -15.128 -1.489 -7.785 971 HE2 TYR 460 HE1 TYR 460 -15.096 -5.754 -7.855 972 HH TYR 460 HH TYR 460 -17.058 -3.719 -7.166 973 H ILE 461 HN ILE 461 -10.476 -1.998 -7.930 974 HA ILE 461 HA ILE 461 -11.346 0.665 -8.791 975 HB ILE 461 HB ILE 461 -12.462 -0.317 -6.814 976 HG12 ILE 461 HG12 ILE 461 -10.776 2.137 -6.269 977 HG13 ILE 461 HG11 ILE 461 -12.350 2.109 -7.059 978 HG21 ILE 461 HG21 ILE 461 -11.335 -0.700 -4.767 979 HG22 ILE 461 HG22 ILE 461 -9.844 0.023 -5.371 980 HG23 ILE 461 HG23 ILE 461 -10.400 -1.522 -6.015 981 HD11 ILE 461 HD11 ILE 461 -12.292 2.815 -4.632 982 HD12 ILE 461 HD12 ILE 461 -11.950 1.127 -4.255 983 HD13 ILE 461 HD13 ILE 461 -13.455 1.562 -5.064 984 H PHE 462 HN PHE 462 -8.698 -0.946 -7.063 985 HA PHE 462 HA PHE 462 -7.141 1.478 -6.917 986 HB2 PHE 462 HB2 PHE 462 -6.518 -1.392 -6.213 987 HB3 PHE 462 HB1 PHE 462 -5.376 -0.069 -6.000 988 HD1 PHE 462 HD2 PHE 462 -6.646 2.063 -4.799 989 HD2 PHE 462 HD1 PHE 462 -7.525 -2.068 -4.279 990 HE1 PHE 462 HE2 PHE 462 -7.623 2.552 -2.595 991 HE2 PHE 462 HE1 PHE 462 -8.505 -1.586 -2.075 992 HZ PHE 462 HZ PHE 462 -8.554 0.725 -1.229 993 H GLU 463 HN GLU 463 -6.658 -1.687 -8.497 994 HA GLU 463 HA GLU 463 -4.429 -0.929 -10.015 995 HB2 GLU 463 HB2 GLU 463 -6.452 -2.983 -10.893 996 HB3 GLU 463 HB1 GLU 463 -4.726 -2.949 -11.227 997 HG2 GLU 463 HG2 GLU 463 -4.606 -3.070 -8.578 998 HG3 GLU 463 HG1 GLU 463 -6.179 -3.834 -8.805 999 H THR 464 HN THR 464 -7.759 -1.418 -11.207 1000 HA THR 464 HA THR 464 -7.159 0.393 -13.432 1001 HB THR 464 HB THR 464 -9.704 -1.168 -13.222 1002 HG1 THR 464 HG1 THR 464 -8.379 -2.828 -12.904 1003 HG21 THR 464 HG21 THR 464 -7.950 -0.687 -15.610 1004 HG22 THR 464 HG22 THR 464 -9.250 0.402 -15.123 1005 HG23 THR 464 HG23 THR 464 -9.617 -1.262 -15.579 1006 H THR 465 HN THR 465 -7.288 2.271 -12.030 1007 HA THR 465 HA THR 465 -9.654 2.967 -10.642 1008 HB THR 465 HB THR 465 -8.654 5.321 -10.786 1009 HG1 THR 465 HG1 THR 465 -7.074 5.571 -12.114 1010 HG21 THR 465 HG21 THR 465 -8.159 4.294 -8.787 1011 HG22 THR 465 HG22 THR 465 -6.558 4.618 -9.451 1012 HG23 THR 465 HG23 THR 465 -7.245 2.998 -9.558 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -1.193 16.094 11.600 2 H3 PRO 1 HT2 PRO 1 -1.498 15.249 12.979 3 HA PRO 1 HA PRO 1 -1.079 13.388 12.152 4 HB2 PRO 1 HB2 PRO 1 -1.801 13.437 9.415 5 HB3 PRO 1 HB1 PRO 1 -2.662 12.643 10.740 6 HG2 PRO 1 HG2 PRO 1 -3.126 15.308 9.511 7 HG3 PRO 1 HG1 PRO 1 -4.290 14.178 10.225 8 HD2 PRO 1 HD2 PRO 1 -3.581 16.394 11.524 9 HD3 PRO 1 HD1 PRO 1 -3.815 14.870 12.402 10 H SER 2 HN SER 2 -0.854 15.366 9.202 11 HA SER 2 HA SER 2 0.901 15.985 7.900 12 HB2 SER 2 HB2 SER 2 1.748 17.219 9.772 13 HB3 SER 2 HB1 SER 2 2.356 15.753 10.540 14 HG SER 2 HG SER 2 3.302 16.982 8.168 15 H HIS 3 HN HIS 3 2.763 13.864 10.048 16 HA HIS 3 HA HIS 3 3.379 12.191 7.712 17 HB2 HIS 3 HB2 HIS 3 4.874 12.643 10.298 18 HB3 HIS 3 HB1 HIS 3 5.325 11.413 9.123 19 HD1 HIS 3 HD1 HIS 3 4.866 15.183 9.275 20 HD2 HIS 3 HD2 HIS 3 7.023 12.299 7.201 21 HE1 HIS 3 HE1 HIS 3 6.448 16.461 7.796 22 HE2 HIS 3 HE2 HIS 3 7.682 14.697 6.488 23 H SER 4 HN SER 4 0.920 11.814 9.000 24 HA SER 4 HA SER 4 1.018 9.030 9.515 25 HB2 SER 4 HB2 SER 4 0.105 9.185 11.883 26 HB3 SER 4 HB1 SER 4 1.818 9.559 11.698 27 HG SER 4 HG SER 4 1.429 11.636 12.091 28 H GLY 5 HN GLY 5 -1.139 8.132 10.000 29 HA2 GLY 5 HA2 GLY 5 -3.445 9.817 9.903 30 HA3 GLY 5 HA1 GLY 5 -3.114 9.091 8.338 31 H ALA 6 HN ALA 6 -5.436 8.670 9.958 32 HA ALA 6 HA ALA 6 -5.333 6.264 11.408 33 HB1 ALA 6 HB1 ALA 6 -7.208 7.622 11.778 34 HB2 ALA 6 HB2 ALA 6 -7.836 6.218 10.915 35 HB3 ALA 6 HB3 ALA 6 -7.574 7.736 10.057 36 H ALA 7 HN ALA 7 -4.307 4.604 10.370 37 HA ALA 7 HA ALA 7 -5.490 3.690 7.830 38 HB1 ALA 7 HB1 ALA 7 -3.418 2.780 7.196 39 HB2 ALA 7 HB2 ALA 7 -2.767 2.907 8.831 40 HB3 ALA 7 HB3 ALA 7 -3.035 4.363 7.872 41 H ILE 8 HN ILE 8 -6.297 1.663 7.686 42 HA ILE 8 HA ILE 8 -6.161 0.002 10.117 43 HB ILE 8 HB ILE 8 -8.349 -0.038 8.040 44 HG12 ILE 8 HG12 ILE 8 -8.241 1.345 10.729 45 HG13 ILE 8 HG11 ILE 8 -8.366 2.121 9.154 46 HG21 ILE 8 HG21 ILE 8 -9.316 -1.697 9.209 47 HG22 ILE 8 HG22 ILE 8 -8.837 -1.019 10.765 48 HG23 ILE 8 HG23 ILE 8 -7.685 -1.966 9.824 49 HD11 ILE 8 HD11 ILE 8 -10.577 1.384 8.857 50 HD12 ILE 8 HD12 ILE 8 -10.482 1.967 10.518 51 HD13 ILE 8 HD13 ILE 8 -10.456 0.235 10.189 52 H PHE 9 HN PHE 9 -5.201 -1.908 9.950 53 HA PHE 9 HA PHE 9 -4.937 -3.125 7.280 54 HB2 PHE 9 HB2 PHE 9 -2.821 -2.095 8.406 55 HB3 PHE 9 HB1 PHE 9 -2.873 -3.532 9.422 56 HD1 PHE 9 HD1 PHE 9 -3.593 -3.094 5.795 57 HD2 PHE 9 HD2 PHE 9 -1.118 -4.874 8.764 58 HE1 PHE 9 HE1 PHE 9 -2.420 -4.368 4.047 59 HE2 PHE 9 HE2 PHE 9 0.061 -6.150 7.021 60 HZ PHE 9 HZ PHE 9 -0.590 -5.898 4.659 61 H GLU 10 HN GLU 10 -5.833 -5.063 7.124 62 HA GLU 10 HA GLU 10 -6.722 -7.088 7.643 63 HB2 GLU 10 HB2 GLU 10 -4.529 -6.785 9.624 64 HB3 GLU 10 HB1 GLU 10 -5.713 -8.049 9.929 65 HG2 GLU 10 HG2 GLU 10 -5.170 -8.461 7.308 66 HG3 GLU 10 HG1 GLU 10 -3.614 -7.877 7.896 67 H LYS 11 HN LYS 11 -8.324 -5.038 8.235 68 HA LYS 11 HA LYS 11 -10.141 -4.392 9.442 69 HB2 LYS 11 HB2 LYS 11 -10.019 -7.104 10.751 70 HB3 LYS 11 HB1 LYS 11 -11.437 -6.106 10.461 71 HG2 LYS 11 HG2 LYS 11 -9.795 -7.165 8.192 72 HG3 LYS 11 HG1 LYS 11 -11.054 -8.139 8.955 73 HD2 LYS 11 HD2 LYS 11 -12.588 -6.125 8.550 74 HD3 LYS 11 HD1 LYS 11 -11.330 -5.553 7.453 75 HE2 LYS 11 HE2 LYS 11 -11.628 -7.322 5.983 76 HE3 LYS 11 HE1 LYS 11 -12.392 -8.338 7.205 77 HZ1 LYS 11 HZ1 LYS 11 -13.746 -7.057 5.319 78 HZ2 LYS 11 HZ2 LYS 11 -13.788 -5.879 6.532 79 HZ3 LYS 11 HZ3 LYS 11 -14.402 -7.426 6.835 80 H VAL 12 HN VAL 12 -7.532 -3.821 10.552 81 HA VAL 12 HA VAL 12 -8.221 -3.756 13.418 82 HB VAL 12 HB VAL 12 -5.466 -3.834 12.178 83 HG11 VAL 12 HG11 VAL 12 -5.033 -2.567 14.029 84 HG12 VAL 12 HG12 VAL 12 -4.949 -4.173 14.753 85 HG13 VAL 12 HG13 VAL 12 -6.413 -3.204 14.924 86 HG21 VAL 12 HG21 VAL 12 -6.097 -6.028 12.135 87 HG22 VAL 12 HG22 VAL 12 -7.219 -5.844 13.484 88 HG23 VAL 12 HG23 VAL 12 -5.483 -5.932 13.786 89 H SER 13 HN SER 13 -8.746 -1.811 14.097 90 HA SER 13 HA SER 13 -8.223 0.542 12.553 91 HB2 SER 13 HB2 SER 13 -9.262 1.682 14.611 92 HB3 SER 13 HB1 SER 13 -10.281 0.559 13.711 93 HG SER 13 HG SER 13 -9.995 0.440 16.191 94 H GLY 14 HN GLY 14 -6.230 1.365 12.476 95 HA2 GLY 14 HA2 GLY 14 -4.918 2.016 15.010 96 HA3 GLY 14 HA1 GLY 14 -4.019 1.034 13.864 97 H ILE 15 HN ILE 15 -2.723 3.178 14.439 98 HA ILE 15 HA ILE 15 -3.354 5.162 12.352 99 HB ILE 15 HB ILE 15 -1.552 5.678 14.707 100 HG12 ILE 15 HG12 ILE 15 -3.702 5.073 15.647 101 HG13 ILE 15 HG11 ILE 15 -3.494 6.817 15.769 102 HG21 ILE 15 HG21 ILE 15 -2.597 8.048 14.076 103 HG22 ILE 15 HG22 ILE 15 -2.724 7.264 12.502 104 HG23 ILE 15 HG23 ILE 15 -1.154 7.404 13.293 105 HD11 ILE 15 HD11 ILE 15 -5.450 7.070 14.780 106 HD12 ILE 15 HD12 ILE 15 -5.584 5.330 14.525 107 HD13 ILE 15 HD13 ILE 15 -4.781 6.340 13.321 108 H ILE 16 HN ILE 16 -1.839 5.660 10.842 109 HA ILE 16 HA ILE 16 0.593 4.024 10.857 110 HB ILE 16 HB ILE 16 -1.217 4.265 8.883 111 HG12 ILE 16 HG12 ILE 16 1.662 4.049 8.090 112 HG13 ILE 16 HG11 ILE 16 0.968 2.856 9.184 113 HG21 ILE 16 HG21 ILE 16 0.920 6.093 7.867 114 HG22 ILE 16 HG22 ILE 16 -0.481 6.744 8.720 115 HG23 ILE 16 HG23 ILE 16 -0.706 5.810 7.241 116 HD11 ILE 16 HD11 ILE 16 0.532 3.269 6.307 117 HD12 ILE 16 HD12 ILE 16 -0.895 2.849 7.254 118 HD13 ILE 16 HD13 ILE 16 0.513 1.787 7.263 119 H ALA 17 HN ALA 17 2.631 4.929 10.373 120 HA ALA 17 HA ALA 17 2.833 7.847 10.400 121 HB1 ALA 17 HB1 ALA 17 4.648 7.695 12.123 122 HB2 ALA 17 HB2 ALA 17 4.160 6.023 12.396 123 HB3 ALA 17 HB3 ALA 17 3.028 7.336 12.718 124 H ILE 18 HN ILE 18 4.092 8.433 8.771 125 HA ILE 18 HA ILE 18 5.934 6.518 7.590 126 HB ILE 18 HB ILE 18 5.358 9.331 6.664 127 HG12 ILE 18 HG12 ILE 18 4.022 6.740 5.848 128 HG13 ILE 18 HG11 ILE 18 3.273 8.038 6.773 129 HG21 ILE 18 HG21 ILE 18 7.297 8.617 5.595 130 HG22 ILE 18 HG22 ILE 18 6.024 8.214 4.443 131 HG23 ILE 18 HG23 ILE 18 6.726 6.954 5.459 132 HD11 ILE 18 HD11 ILE 18 4.416 8.663 4.102 133 HD12 ILE 18 HD12 ILE 18 3.053 9.393 4.949 134 HD13 ILE 18 HD13 ILE 18 2.878 7.807 4.200 135 H ASN 19 HN ASN 19 8.105 6.618 7.688 136 HA ASN 19 HA ASN 19 9.272 8.733 9.354 137 HB2 ASN 19 HB2 ASN 19 10.118 5.922 8.702 138 HB3 ASN 19 HB1 ASN 19 11.271 7.086 9.347 139 HD21 ASN 19 HD21 ASN 19 9.983 8.433 11.207 140 HD22 ASN 19 HD22 ASN 19 9.379 7.397 12.451 141 H GLU 20 HN GLU 20 9.881 10.396 8.102 142 HA GLU 20 HA GLU 20 11.311 9.818 5.601 143 HB2 GLU 20 HB2 GLU 20 9.653 12.116 6.545 144 HB3 GLU 20 HB1 GLU 20 10.913 12.417 5.357 145 HG2 GLU 20 HG2 GLU 20 9.882 11.119 3.742 146 HG3 GLU 20 HG1 GLU 20 8.915 10.239 4.925 147 H ASP 21 HN ASP 21 12.435 9.731 8.363 148 HA ASP 21 HA ASP 21 14.325 11.964 8.299 149 HB2 ASP 21 HB2 ASP 21 14.999 11.198 10.537 150 HB3 ASP 21 HB1 ASP 21 13.262 11.473 10.452 151 H VAL 22 HN VAL 22 14.129 8.511 7.866 152 HA VAL 22 HA VAL 22 17.038 8.339 7.507 153 HB VAL 22 HB VAL 22 16.006 6.687 9.013 154 HG11 VAL 22 HG11 VAL 22 13.814 6.527 7.988 155 HG12 VAL 22 HG12 VAL 22 14.554 4.930 8.103 156 HG13 VAL 22 HG13 VAL 22 14.517 5.776 6.556 157 HG21 VAL 22 HG21 VAL 22 17.793 6.180 6.913 158 HG22 VAL 22 HG22 VAL 22 16.716 4.787 6.986 159 HG23 VAL 22 HG23 VAL 22 17.616 5.282 8.419 160 H SER 23 HN SER 23 17.938 7.523 5.587 161 HA SER 23 HA SER 23 16.974 8.373 3.196 162 HB2 SER 23 HB2 SER 23 18.923 6.292 3.985 163 HB3 SER 23 HB1 SER 23 18.318 6.186 2.332 164 HG SER 23 HG SER 23 19.801 7.642 1.983 165 HA PRO 24 HA PRO 24 14.809 4.253 2.040 166 HB2 PRO 24 HB2 PRO 24 14.809 2.212 3.829 167 HB3 PRO 24 HB1 PRO 24 16.093 2.433 2.635 168 HG2 PRO 24 HG2 PRO 24 16.047 3.204 5.529 169 HG3 PRO 24 HG1 PRO 24 17.347 2.437 4.597 170 HD2 PRO 24 HD2 PRO 24 17.339 5.081 5.160 171 HD3 PRO 24 HD1 PRO 24 18.020 4.434 3.655 172 H ALA 25 HN ALA 25 13.216 5.945 2.598 173 HA ALA 25 HA ALA 25 11.890 6.387 4.914 174 HB1 ALA 25 HB1 ALA 25 10.366 7.472 3.667 175 HB2 ALA 25 HB2 ALA 25 10.073 6.080 2.624 176 HB3 ALA 25 HB3 ALA 25 11.475 7.112 2.344 177 H GLU 26 HN GLU 26 10.594 5.331 6.275 178 HA GLU 26 HA GLU 26 9.508 2.728 5.413 179 HB2 GLU 26 HB2 GLU 26 10.429 3.443 8.200 180 HB3 GLU 26 HB1 GLU 26 9.864 1.872 7.649 181 HG2 GLU 26 HG2 GLU 26 11.837 2.015 5.985 182 HG3 GLU 26 HG1 GLU 26 12.449 3.254 7.080 183 H LEU 27 HN LEU 27 7.508 2.082 6.319 184 HA LEU 27 HA LEU 27 5.906 4.309 7.400 185 HB2 LEU 27 HB2 LEU 27 5.175 3.837 5.171 186 HB3 LEU 27 HB1 LEU 27 5.143 2.112 5.483 187 HG LEU 27 HG LEU 27 3.373 3.819 7.147 188 HD11 LEU 27 HD11 LEU 27 1.941 4.461 5.542 189 HD12 LEU 27 HD12 LEU 27 2.192 2.998 4.589 190 HD13 LEU 27 HD13 LEU 27 3.348 4.326 4.487 191 HD21 LEU 27 HD21 LEU 27 3.748 1.086 6.668 192 HD22 LEU 27 HD22 LEU 27 2.204 1.497 5.920 193 HD23 LEU 27 HD23 LEU 27 2.478 1.845 7.627 194 H THR 28 HN THR 28 5.394 3.979 9.456 195 HA THR 28 HA THR 28 5.220 1.239 10.473 196 HB THR 28 HB THR 28 5.106 3.737 12.147 197 HG1 THR 28 HG1 THR 28 7.235 3.926 12.069 198 HG21 THR 28 HG21 THR 28 4.887 2.172 13.721 199 HG22 THR 28 HG22 THR 28 6.617 1.925 13.483 200 HG23 THR 28 HG23 THR 28 5.456 0.882 12.662 201 H TRP 29 HN TRP 29 3.435 0.491 11.637 202 HA TRP 29 HA TRP 29 1.029 2.159 11.632 203 HB2 TRP 29 HB2 TRP 29 0.778 0.920 9.599 204 HB3 TRP 29 HB1 TRP 29 1.266 -0.580 10.380 205 HD1 TRP 29 HD1 TRP 29 -1.677 1.942 10.482 206 HE1 TRP 29 HE1 TRP 29 -3.810 0.645 11.105 207 HE3 TRP 29 HE3 TRP 29 0.383 -2.666 11.298 208 HZ2 TRP 29 HZ2 TRP 29 -4.525 -1.984 11.845 209 HZ3 TRP 29 HZ3 TRP 29 -1.095 -4.518 11.960 210 HH2 TRP 29 HH2 TRP 29 -3.498 -4.182 12.228 211 H ARG 30 HN ARG 30 0.501 2.261 13.711 212 HA ARG 30 HA ARG 30 0.751 -0.167 15.355 213 HB2 ARG 30 HB2 ARG 30 1.113 2.723 15.914 214 HB3 ARG 30 HB1 ARG 30 0.371 1.767 17.189 215 HG2 ARG 30 HG2 ARG 30 2.351 0.175 16.892 216 HG3 ARG 30 HG1 ARG 30 3.101 1.492 15.988 217 HD2 ARG 30 HD2 ARG 30 2.257 2.814 18.191 218 HD3 ARG 30 HD1 ARG 30 2.584 1.222 18.876 219 HE ARG 30 HE ARG 30 4.794 1.809 17.371 220 HH11 ARG 30 HH11 ARG 30 3.122 3.342 20.023 221 HH12 ARG 30 HH12 ARG 30 4.552 4.082 20.660 222 HH21 ARG 30 HH21 ARG 30 6.675 2.781 18.208 223 HH22 ARG 30 HH22 ARG 30 6.569 3.764 19.630 224 H SER 31 HN SER 31 -1.020 -1.078 16.207 225 HA SER 31 HA SER 31 -3.584 -0.426 15.323 226 HB2 SER 31 HB2 SER 31 -2.911 -1.964 17.841 227 HB3 SER 31 HB1 SER 31 -4.397 -2.073 16.897 228 HG SER 31 HG SER 31 -3.016 -2.800 15.133 229 H THR 32 HN THR 32 -5.461 0.183 16.673 230 HA THR 32 HA THR 32 -5.140 2.703 17.820 231 HB THR 32 HB THR 32 -7.280 2.056 16.960 232 HG1 THR 32 HG1 THR 32 -7.525 2.213 19.778 233 HG21 THR 32 HG21 THR 32 -8.413 0.184 17.395 234 HG22 THR 32 HG22 THR 32 -8.037 0.235 19.118 235 HG23 THR 32 HG23 THR 32 -6.861 -0.417 17.977 236 H ASP 33 HN ASP 33 -5.325 -0.486 19.326 237 HA ASP 33 HA ASP 33 -5.055 0.677 21.983 238 HB2 ASP 33 HB2 ASP 33 -5.313 -1.629 22.791 239 HB3 ASP 33 HB1 ASP 33 -6.614 -1.191 21.687 240 H GLY 34 HN GLY 34 -3.171 -1.047 19.597 241 HA2 GLY 34 HA2 GLY 34 -0.801 -0.853 19.498 242 HA3 GLY 34 HA1 GLY 34 -0.781 -0.567 21.232 243 H ASP 35 HN ASP 35 -2.544 -3.158 19.636 244 HA ASP 35 HA ASP 35 -1.081 -5.095 21.242 245 HB2 ASP 35 HB2 ASP 35 -3.614 -5.086 20.998 246 HB3 ASP 35 HB1 ASP 35 -3.366 -5.657 19.351 247 H LYS 36 HN LYS 36 -1.605 -4.251 17.865 248 HA LYS 36 HA LYS 36 0.615 -6.042 17.150 249 HB2 LYS 36 HB2 LYS 36 -1.817 -5.581 15.419 250 HB3 LYS 36 HB1 LYS 36 -0.490 -6.693 15.112 251 HG2 LYS 36 HG2 LYS 36 -1.196 -8.187 16.745 252 HG3 LYS 36 HG1 LYS 36 -2.187 -6.975 17.560 253 HD2 LYS 36 HD2 LYS 36 -3.770 -6.983 15.736 254 HD3 LYS 36 HD1 LYS 36 -2.746 -8.082 14.810 255 HE2 LYS 36 HE2 LYS 36 -4.082 -8.698 17.444 256 HE3 LYS 36 HE1 LYS 36 -4.608 -9.268 15.860 257 HZ1 LYS 36 HZ1 LYS 36 -3.393 -11.033 16.681 258 HZ2 LYS 36 HZ2 LYS 36 -2.225 -10.050 17.408 259 HZ3 LYS 36 HZ3 LYS 36 -2.245 -10.237 15.727 260 H VAL 37 HN VAL 37 2.155 -5.160 15.891 261 HA VAL 37 HA VAL 37 1.591 -2.764 14.341 262 HB VAL 37 HB VAL 37 2.233 -1.895 16.556 263 HG11 VAL 37 HG11 VAL 37 3.915 -4.005 16.726 264 HG12 VAL 37 HG12 VAL 37 4.035 -2.558 17.729 265 HG13 VAL 37 HG13 VAL 37 5.043 -2.720 16.291 266 HG21 VAL 37 HG21 VAL 37 3.974 -1.440 14.172 267 HG22 VAL 37 HG22 VAL 37 4.332 -0.612 15.688 268 HG23 VAL 37 HG23 VAL 37 2.769 -0.380 14.904 269 H HIS 38 HN HIS 38 2.644 -2.809 12.459 270 HA HIS 38 HA HIS 38 5.084 -4.439 12.248 271 HB2 HIS 38 HB2 HIS 38 3.169 -5.681 11.306 272 HB3 HIS 38 HB1 HIS 38 2.843 -4.337 10.217 273 HD1 HIS 38 HD1 HIS 38 4.753 -7.422 10.489 274 HD2 HIS 38 HD2 HIS 38 5.004 -3.905 8.289 275 HE1 HIS 38 HE1 HIS 38 6.302 -7.935 8.575 276 HE2 HIS 38 HE2 HIS 38 6.368 -5.819 7.209 277 H THR 39 HN THR 39 6.596 -3.772 10.676 278 HA THR 39 HA THR 39 6.186 -1.021 9.699 279 HB THR 39 HB THR 39 8.949 -2.035 10.107 280 HG1 THR 39 HG1 THR 39 8.498 -2.541 12.094 281 HG21 THR 39 HG21 THR 39 9.347 0.230 10.910 282 HG22 THR 39 HG22 THR 39 7.632 0.598 10.723 283 HG23 THR 39 HG23 THR 39 8.614 0.228 9.305 284 H VAL 40 HN VAL 40 6.876 -0.510 7.635 285 HA VAL 40 HA VAL 40 8.048 -2.635 6.002 286 HB VAL 40 HB VAL 40 5.621 -2.858 5.705 287 HG11 VAL 40 HG11 VAL 40 5.585 -0.128 4.459 288 HG12 VAL 40 HG12 VAL 40 5.222 -0.372 6.167 289 HG13 VAL 40 HG13 VAL 40 4.225 -1.146 4.935 290 HG21 VAL 40 HG21 VAL 40 6.878 -3.501 3.822 291 HG22 VAL 40 HG22 VAL 40 7.223 -1.830 3.378 292 HG23 VAL 40 HG23 VAL 40 5.592 -2.474 3.190 293 H VAL 41 HN VAL 41 9.428 -1.912 4.463 294 HA VAL 41 HA VAL 41 10.225 0.835 4.549 295 HB VAL 41 HB VAL 41 11.144 -1.278 2.599 296 HG11 VAL 41 HG11 VAL 41 13.232 0.121 2.630 297 HG12 VAL 41 HG12 VAL 41 12.313 1.341 3.513 298 HG13 VAL 41 HG13 VAL 41 11.828 0.882 1.881 299 HG21 VAL 41 HG21 VAL 41 12.544 -0.576 5.157 300 HG22 VAL 41 HG22 VAL 41 12.776 -1.980 4.115 301 HG23 VAL 41 HG23 VAL 41 11.318 -1.843 5.097 302 H LEU 42 HN LEU 42 9.338 2.434 3.435 303 HA LEU 42 HA LEU 42 7.402 2.019 1.408 304 HB2 LEU 42 HB2 LEU 42 8.880 4.499 2.282 305 HB3 LEU 42 HB1 LEU 42 7.581 4.506 1.104 306 HG LEU 42 HG LEU 42 7.366 3.736 4.013 307 HD11 LEU 42 HD11 LEU 42 7.513 6.138 3.607 308 HD12 LEU 42 HD12 LEU 42 5.901 5.679 4.157 309 HD13 LEU 42 HD13 LEU 42 6.186 6.028 2.452 310 HD21 LEU 42 HD21 LEU 42 4.824 3.871 3.165 311 HD22 LEU 42 HD22 LEU 42 5.748 2.370 3.225 312 HD23 LEU 42 HD23 LEU 42 5.593 3.250 1.704 313 H SER 43 HN SER 43 10.843 2.545 1.369 314 HA SER 43 HA SER 43 11.216 3.453 -1.234 315 HB2 SER 43 HB2 SER 43 13.474 2.848 -0.994 316 HB3 SER 43 HB1 SER 43 12.941 3.124 0.664 317 HG SER 43 HG SER 43 14.057 0.969 -0.269 318 H THR 44 HN THR 44 10.470 0.262 -0.039 319 HA THR 44 HA THR 44 11.169 -1.204 -2.352 320 HB THR 44 HB THR 44 9.825 -2.996 -1.410 321 HG1 THR 44 HG1 THR 44 8.225 -2.632 -0.098 322 HG21 THR 44 HG21 THR 44 11.415 -1.430 0.584 323 HG22 THR 44 HG22 THR 44 11.856 -2.907 -0.274 324 HG23 THR 44 HG23 THR 44 10.640 -2.958 1.002 325 H ILE 45 HN ILE 45 8.372 0.683 -1.487 326 HA ILE 45 HA ILE 45 6.505 -0.352 -3.298 327 HB ILE 45 HB ILE 45 6.730 2.534 -2.441 328 HG12 ILE 45 HG12 ILE 45 6.753 1.130 -0.464 329 HG13 ILE 45 HG11 ILE 45 5.170 1.885 -0.614 330 HG21 ILE 45 HG21 ILE 45 4.193 2.347 -2.679 331 HG22 ILE 45 HG22 ILE 45 4.513 0.870 -3.588 332 HG23 ILE 45 HG23 ILE 45 5.147 2.413 -4.160 333 HD11 ILE 45 HD11 ILE 45 4.274 -0.123 -0.408 334 HD12 ILE 45 HD12 ILE 45 5.860 -0.891 -0.486 335 HD13 ILE 45 HD13 ILE 45 4.972 -0.547 -1.971 336 H ASP 46 HN ASP 46 5.745 0.563 -5.311 337 HA ASP 46 HA ASP 46 7.864 1.919 -6.845 338 HB2 ASP 46 HB2 ASP 46 7.550 -0.550 -7.374 339 HB3 ASP 46 HB1 ASP 46 5.964 -0.119 -8.008 340 H LYS 47 HN LYS 47 4.389 1.115 -6.924 341 HA LYS 47 HA LYS 47 3.872 3.864 -7.825 342 HB2 LYS 47 HB2 LYS 47 3.304 2.962 -9.813 343 HB3 LYS 47 HB1 LYS 47 3.216 1.336 -9.156 344 HG2 LYS 47 HG2 LYS 47 0.971 1.754 -8.347 345 HG3 LYS 47 HG1 LYS 47 1.056 3.422 -8.919 346 HD2 LYS 47 HD2 LYS 47 0.694 2.837 -11.069 347 HD3 LYS 47 HD1 LYS 47 1.655 1.362 -10.936 348 HE2 LYS 47 HE2 LYS 47 -0.121 0.111 -10.184 349 HE3 LYS 47 HE1 LYS 47 -0.964 1.511 -9.522 350 HZ1 LYS 47 HZ1 LYS 47 -1.781 2.100 -11.582 351 HZ2 LYS 47 HZ2 LYS 47 -1.847 0.412 -11.657 352 HZ3 LYS 47 HZ3 LYS 47 -0.595 1.243 -12.433 353 H LEU 48 HN LEU 48 1.637 4.584 -7.400 354 HA LEU 48 HA LEU 48 0.498 3.253 -5.029 355 HB2 LEU 48 HB2 LEU 48 1.114 6.118 -5.558 356 HB3 LEU 48 HB1 LEU 48 -0.315 5.747 -4.612 357 HG LEU 48 HG LEU 48 1.400 4.253 -3.249 358 HD11 LEU 48 HD11 LEU 48 3.596 4.857 -3.316 359 HD12 LEU 48 HD12 LEU 48 3.248 6.485 -3.899 360 HD13 LEU 48 HD13 LEU 48 3.171 5.116 -5.008 361 HD21 LEU 48 HD21 LEU 48 1.234 5.821 -1.614 362 HD22 LEU 48 HD22 LEU 48 0.033 6.474 -2.728 363 HD23 LEU 48 HD23 LEU 48 1.661 7.152 -2.690 364 H GLN 49 HN GLN 49 -1.734 3.170 -4.851 365 HA GLN 49 HA GLN 49 -3.395 4.396 -6.884 366 HB2 GLN 49 HB2 GLN 49 -2.666 2.320 -7.972 367 HB3 GLN 49 HB1 GLN 49 -3.246 1.390 -6.597 368 HG2 GLN 49 HG2 GLN 49 -5.377 1.471 -7.276 369 HG3 GLN 49 HG1 GLN 49 -5.250 3.146 -7.813 370 HE21 GLN 49 HE21 GLN 49 -3.420 3.157 -9.712 371 HE22 GLN 49 HE22 GLN 49 -3.847 2.114 -11.022 372 H ALA 50 HN ALA 50 -5.526 4.614 -6.270 373 HA ALA 50 HA ALA 50 -6.476 3.277 -3.870 374 HB1 ALA 50 HB1 ALA 50 -6.880 6.195 -3.775 375 HB2 ALA 50 HB2 ALA 50 -5.234 5.634 -3.479 376 HB3 ALA 50 HB3 ALA 50 -6.559 5.047 -2.474 377 H THR 51 HN THR 51 -8.790 3.898 -3.406 378 HA THR 51 HA THR 51 -10.313 3.633 -5.793 379 HB THR 51 HB THR 51 -12.225 3.495 -4.382 380 HG1 THR 51 HG1 THR 51 -10.628 4.742 -2.400 381 HG21 THR 51 HG21 THR 51 -11.727 1.719 -3.074 382 HG22 THR 51 HG22 THR 51 -10.280 2.472 -2.403 383 HG23 THR 51 HG23 THR 51 -10.243 1.780 -4.025 384 HA PRO 52 HA PRO 52 -11.069 7.857 -6.819 385 HB2 PRO 52 HB2 PRO 52 -13.503 7.671 -8.002 386 HB3 PRO 52 HB1 PRO 52 -12.020 7.088 -8.767 387 HG2 PRO 52 HG2 PRO 52 -14.117 5.549 -7.285 388 HG3 PRO 52 HG1 PRO 52 -13.288 5.139 -8.798 389 HD2 PRO 52 HD2 PRO 52 -12.583 4.069 -6.412 390 HD3 PRO 52 HD1 PRO 52 -11.408 4.374 -7.706 391 H ALA 53 HN ALA 53 -12.570 9.659 -6.461 392 HA ALA 53 HA ALA 53 -13.505 9.738 -3.796 393 HB1 ALA 53 HB1 ALA 53 -12.676 11.706 -5.050 394 HB2 ALA 53 HB2 ALA 53 -14.244 11.977 -4.289 395 HB3 ALA 53 HB3 ALA 53 -14.146 11.667 -6.023 396 H SER 54 HN SER 54 -15.069 9.096 -6.856 397 HA SER 54 HA SER 54 -17.743 9.424 -5.977 398 HB2 SER 54 HB2 SER 54 -16.406 8.186 -8.337 399 HB3 SER 54 HB1 SER 54 -18.078 7.730 -8.011 400 HG SER 54 HG SER 54 -18.353 9.503 -9.180 401 H SER 55 HN SER 55 -15.471 6.767 -5.865 402 HA SER 55 HA SER 55 -17.279 4.685 -5.313 403 HB2 SER 55 HB2 SER 55 -14.938 4.288 -5.967 404 HB3 SER 55 HB1 SER 55 -14.394 4.967 -4.433 405 HG SER 55 HG SER 55 -15.019 3.202 -3.408 406 H GLU 56 HN GLU 56 -18.451 4.234 -3.571 407 HA GLU 56 HA GLU 56 -18.556 5.939 -1.336 408 HB2 GLU 56 HB2 GLU 56 -19.577 3.099 -1.491 409 HB3 GLU 56 HB1 GLU 56 -20.134 4.365 -0.404 410 HG2 GLU 56 HG2 GLU 56 -21.442 5.315 -1.963 411 HG3 GLU 56 HG1 GLU 56 -20.300 4.999 -3.269 412 H LYS 57 HN LYS 57 -17.014 2.799 -1.838 413 HA LYS 57 HA LYS 57 -16.075 2.659 0.889 414 HB2 LYS 57 HB2 LYS 57 -16.682 0.682 -0.647 415 HB3 LYS 57 HB1 LYS 57 -15.107 0.941 -1.383 416 HG2 LYS 57 HG2 LYS 57 -13.976 0.164 0.426 417 HG3 LYS 57 HG1 LYS 57 -15.208 0.705 1.568 418 HD2 LYS 57 HD2 LYS 57 -16.690 -1.117 0.693 419 HD3 LYS 57 HD1 LYS 57 -15.310 -1.709 -0.235 420 HE2 LYS 57 HE2 LYS 57 -14.279 -2.555 1.587 421 HE3 LYS 57 HE1 LYS 57 -14.814 -1.237 2.630 422 HZ1 LYS 57 HZ1 LYS 57 -16.869 -2.257 2.979 423 HZ2 LYS 57 HZ2 LYS 57 -15.761 -3.530 3.078 424 HZ3 LYS 57 HZ3 LYS 57 -16.683 -3.320 1.676 425 H MET 58 HN MET 58 -14.546 4.068 1.472 426 HA MET 58 HA MET 58 -12.498 4.910 -0.402 427 HB2 MET 58 HB2 MET 58 -12.686 5.658 2.511 428 HB3 MET 58 HB1 MET 58 -11.880 6.534 1.218 429 HG2 MET 58 HG2 MET 58 -13.984 7.134 0.235 430 HG3 MET 58 HG1 MET 58 -14.854 6.123 1.387 431 HE1 MET 58 HE1 MET 58 -14.543 6.494 4.033 432 HE2 MET 58 HE2 MET 58 -14.055 8.026 4.758 433 HE3 MET 58 HE3 MET 58 -12.846 6.974 4.022 434 H MET 59 HN MET 59 -10.766 3.685 -0.705 435 HA MET 59 HA MET 59 -9.321 2.659 1.605 436 HB2 MET 59 HB2 MET 59 -10.229 0.885 -0.669 437 HB3 MET 59 HB1 MET 59 -9.082 0.412 0.576 438 HG2 MET 59 HG2 MET 59 -11.099 1.180 2.141 439 HG3 MET 59 HG1 MET 59 -12.017 0.714 0.710 440 HE1 MET 59 HE1 MET 59 -12.412 -2.596 0.515 441 HE2 MET 59 HE2 MET 59 -10.794 -2.569 -0.186 442 HE3 MET 59 HE3 MET 59 -11.896 -1.220 -0.459 443 H LEU 60 HN LEU 60 -7.121 2.151 1.166 444 HA LEU 60 HA LEU 60 -6.130 3.390 -1.315 445 HB2 LEU 60 HB2 LEU 60 -5.564 4.189 1.174 446 HB3 LEU 60 HB1 LEU 60 -4.320 2.965 1.000 447 HG LEU 60 HG LEU 60 -3.858 4.260 -1.270 448 HD11 LEU 60 HD11 LEU 60 -4.761 6.524 0.477 449 HD12 LEU 60 HD12 LEU 60 -5.829 5.793 -0.722 450 HD13 LEU 60 HD13 LEU 60 -4.319 6.549 -1.230 451 HD21 LEU 60 HD21 LEU 60 -2.900 4.638 1.501 452 HD22 LEU 60 HD22 LEU 60 -2.424 5.860 0.323 453 HD23 LEU 60 HD23 LEU 60 -2.020 4.166 0.048 454 H ARG 61 HN ARG 61 -4.150 2.488 -2.231 455 HA ARG 61 HA ARG 61 -3.545 -0.269 -1.502 456 HB2 ARG 61 HB2 ARG 61 -5.339 -0.476 -3.151 457 HB3 ARG 61 HB1 ARG 61 -4.443 0.537 -4.274 458 HG2 ARG 61 HG2 ARG 61 -4.043 -1.611 -5.042 459 HG3 ARG 61 HG1 ARG 61 -2.601 -1.243 -4.093 460 HD2 ARG 61 HD2 ARG 61 -2.973 -3.110 -2.945 461 HD3 ARG 61 HD1 ARG 61 -4.413 -2.343 -2.276 462 HE ARG 61 HE ARG 61 -5.278 -3.328 -4.643 463 HH11 ARG 61 HH11 ARG 61 -3.576 -4.744 -1.945 464 HH12 ARG 61 HH12 ARG 61 -4.248 -6.321 -2.187 465 HH21 ARG 61 HH21 ARG 61 -6.163 -5.402 -4.963 466 HH22 ARG 61 HH22 ARG 61 -5.717 -6.695 -3.901 467 H LEU 62 HN LEU 62 -1.489 -0.923 -2.046 468 HA LEU 62 HA LEU 62 0.204 1.074 -3.397 469 HB2 LEU 62 HB2 LEU 62 0.986 -0.671 -1.060 470 HB3 LEU 62 HB1 LEU 62 2.029 0.471 -1.885 471 HG LEU 62 HG LEU 62 -0.495 1.474 -0.647 472 HD11 LEU 62 HD11 LEU 62 0.278 1.465 1.504 473 HD12 LEU 62 HD12 LEU 62 1.970 1.368 1.014 474 HD13 LEU 62 HD13 LEU 62 0.944 -0.064 0.930 475 HD21 LEU 62 HD21 LEU 62 2.092 2.532 -1.585 476 HD22 LEU 62 HD22 LEU 62 1.436 3.272 -0.125 477 HD23 LEU 62 HD23 LEU 62 0.487 3.262 -1.611 478 H ILE 63 HN ILE 63 1.749 0.316 -4.804 479 HA ILE 63 HA ILE 63 1.768 -2.595 -5.273 480 HB ILE 63 HB ILE 63 2.179 -0.613 -7.491 481 HG12 ILE 63 HG12 ILE 63 -0.002 -0.065 -6.575 482 HG13 ILE 63 HG11 ILE 63 -0.212 -0.932 -8.094 483 HG21 ILE 63 HG21 ILE 63 1.465 -3.527 -7.319 484 HG22 ILE 63 HG22 ILE 63 2.882 -2.787 -8.064 485 HG23 ILE 63 HG23 ILE 63 1.293 -2.593 -8.805 486 HD11 ILE 63 HD11 ILE 63 -0.182 -2.673 -5.758 487 HD12 ILE 63 HD12 ILE 63 -1.311 -2.599 -7.110 488 HD13 ILE 63 HD13 ILE 63 -1.490 -1.490 -5.750 489 H GLY 64 HN GLY 64 3.697 -3.370 -4.729 490 HA2 GLY 64 HA2 GLY 64 6.047 -1.703 -4.692 491 HA3 GLY 64 HA1 GLY 64 5.965 -3.403 -4.256 492 H LYS 65 HN LYS 65 8.138 -2.732 -5.579 493 HA LYS 65 HA LYS 65 7.877 -2.827 -8.420 494 HB2 LYS 65 HB2 LYS 65 10.343 -3.465 -6.800 495 HB3 LYS 65 HB1 LYS 65 10.272 -2.931 -8.474 496 HG2 LYS 65 HG2 LYS 65 9.837 -0.749 -7.905 497 HG3 LYS 65 HG1 LYS 65 9.149 -1.183 -6.339 498 HD2 LYS 65 HD2 LYS 65 11.157 -1.181 -5.314 499 HD3 LYS 65 HD1 LYS 65 11.979 -1.897 -6.702 500 HE2 LYS 65 HE2 LYS 65 11.934 0.279 -7.835 501 HE3 LYS 65 HE1 LYS 65 11.135 0.987 -6.433 502 HZ1 LYS 65 HZ1 LYS 65 13.039 1.030 -5.257 503 HZ2 LYS 65 HZ2 LYS 65 13.762 1.025 -6.787 504 HZ3 LYS 65 HZ3 LYS 65 13.627 -0.416 -5.912 505 H VAL 66 HN VAL 66 9.672 -4.635 -9.328 506 HA VAL 66 HA VAL 66 8.388 -7.198 -8.657 507 HB VAL 66 HB VAL 66 9.138 -7.962 -10.895 508 HG11 VAL 66 HG11 VAL 66 7.584 -6.385 -12.193 509 HG12 VAL 66 HG12 VAL 66 7.336 -5.577 -10.645 510 HG13 VAL 66 HG13 VAL 66 6.907 -7.277 -10.831 511 HG21 VAL 66 HG21 VAL 66 10.209 -6.603 -12.430 512 HG22 VAL 66 HG22 VAL 66 10.990 -6.136 -10.919 513 HG23 VAL 66 HG23 VAL 66 9.726 -5.118 -11.610 514 H ASP 67 HN ASP 67 9.700 -9.122 -8.679 515 HA ASP 67 HA ASP 67 12.567 -8.638 -8.232 516 HB2 ASP 67 HB2 ASP 67 11.371 -8.882 -6.060 517 HB3 ASP 67 HB1 ASP 67 10.842 -10.483 -6.566 518 H GLU 68 HN GLU 68 12.755 -9.385 -10.443 519 HA GLU 68 HA GLU 68 12.304 -12.270 -10.781 520 HB2 GLU 68 HB2 GLU 68 12.689 -10.048 -12.786 521 HB3 GLU 68 HB1 GLU 68 12.707 -11.750 -13.229 522 HG2 GLU 68 HG2 GLU 68 10.474 -11.979 -12.996 523 HG3 GLU 68 HG1 GLU 68 10.383 -10.829 -11.663 524 H SER 69 HN SER 69 14.480 -11.325 -9.210 525 HA SER 69 HA SER 69 16.771 -12.037 -10.921 526 HB2 SER 69 HB2 SER 69 16.551 -10.192 -8.557 527 HB3 SER 69 HB1 SER 69 18.102 -10.906 -8.999 528 HG SER 69 HG SER 69 16.532 -9.044 -10.380 529 H LYS 70 HN LYS 70 15.227 -12.515 -7.788 530 HA LYS 70 HA LYS 70 17.144 -14.484 -6.934 531 HB2 LYS 70 HB2 LYS 70 14.663 -13.279 -5.819 532 HB3 LYS 70 HB1 LYS 70 15.137 -14.859 -5.211 533 HG2 LYS 70 HG2 LYS 70 16.228 -13.543 -3.719 534 HG3 LYS 70 HG1 LYS 70 17.479 -13.662 -4.958 535 HD2 LYS 70 HD2 LYS 70 15.511 -11.470 -5.252 536 HD3 LYS 70 HD1 LYS 70 16.665 -11.330 -3.924 537 HE2 LYS 70 HE2 LYS 70 17.693 -12.079 -6.612 538 HE3 LYS 70 HE1 LYS 70 17.203 -10.406 -6.345 539 HZ1 LYS 70 HZ1 LYS 70 19.130 -11.867 -4.625 540 HZ2 LYS 70 HZ2 LYS 70 18.750 -10.220 -4.555 541 HZ3 LYS 70 HZ3 LYS 70 19.580 -10.839 -5.892 542 H LYS 71 HN LYS 71 13.664 -14.620 -7.718 543 HA LYS 71 HA LYS 71 12.365 -16.271 -8.586 544 HB2 LYS 71 HB2 LYS 71 15.016 -16.747 -9.764 545 HB3 LYS 71 HB1 LYS 71 13.976 -18.164 -9.735 546 HG2 LYS 71 HG2 LYS 71 13.631 -17.104 -11.816 547 HG3 LYS 71 HG1 LYS 71 12.205 -16.763 -10.833 548 HD2 LYS 71 HD2 LYS 71 13.028 -14.550 -10.330 549 HD3 LYS 71 HD1 LYS 71 14.544 -14.887 -11.169 550 HE2 LYS 71 HE2 LYS 71 11.952 -15.151 -12.629 551 HE3 LYS 71 HE1 LYS 71 12.642 -13.550 -12.363 552 HZ1 LYS 71 HZ1 LYS 71 13.552 -14.135 -14.370 553 HZ2 LYS 71 HZ2 LYS 71 13.683 -15.775 -13.978 554 HZ3 LYS 71 HZ3 LYS 71 14.768 -14.659 -13.316 555 H ARG 72 HN ARG 72 11.342 -17.826 -7.512 556 HA ARG 72 HA ARG 72 10.901 -19.543 -6.089 557 HB2 ARG 72 HB2 ARG 72 13.541 -20.248 -7.228 558 HB3 ARG 72 HB1 ARG 72 13.092 -21.086 -5.749 559 HG2 ARG 72 HG2 ARG 72 11.459 -22.278 -6.754 560 HG3 ARG 72 HG1 ARG 72 11.038 -20.973 -7.866 561 HD2 ARG 72 HD2 ARG 72 13.698 -22.210 -8.226 562 HD3 ARG 72 HD1 ARG 72 12.305 -23.215 -8.626 563 HE ARG 72 HE ARG 72 13.314 -21.034 -10.135 564 HH11 ARG 72 HH11 ARG 72 10.341 -22.614 -9.218 565 HH12 ARG 72 HH12 ARG 72 9.485 -22.102 -10.634 566 HH21 ARG 72 HH21 ARG 72 12.191 -20.359 -11.998 567 HH22 ARG 72 HH22 ARG 72 10.536 -20.822 -12.212 568 H LYS 73 HN LYS 73 10.649 -19.365 -3.968 569 HA LYS 73 HA LYS 73 11.009 -18.871 -1.778 570 HB2 LYS 73 HB2 LYS 73 13.942 -19.246 -2.397 571 HB3 LYS 73 HB1 LYS 73 13.165 -19.371 -0.825 572 HG2 LYS 73 HG2 LYS 73 12.637 -21.206 -3.152 573 HG3 LYS 73 HG1 LYS 73 13.726 -21.557 -1.808 574 HD2 LYS 73 HD2 LYS 73 11.911 -21.517 -0.244 575 HD3 LYS 73 HD1 LYS 73 10.795 -20.931 -1.479 576 HE2 LYS 73 HE2 LYS 73 10.999 -23.015 -2.696 577 HE3 LYS 73 HE1 LYS 73 12.205 -23.597 -1.549 578 HZ1 LYS 73 HZ1 LYS 73 9.315 -23.159 -1.101 579 HZ2 LYS 73 HZ2 LYS 73 10.402 -23.295 0.187 580 HZ3 LYS 73 HZ3 LYS 73 10.208 -24.582 -0.894 581 H ASP 74 HN ASP 74 10.621 -16.858 -1.158 582 HA ASP 74 HA ASP 74 12.379 -14.707 -2.112 583 HB2 ASP 74 HB2 ASP 74 9.954 -14.486 -2.587 584 HB3 ASP 74 HB1 ASP 74 9.633 -14.506 -0.855 585 H ASN 75 HN ASN 75 11.157 -16.274 0.761 586 HA ASN 75 HA ASN 75 13.190 -14.913 2.341 587 HB2 ASN 75 HB2 ASN 75 10.246 -14.631 2.749 588 HB3 ASN 75 HB1 ASN 75 11.280 -14.723 4.172 589 HD21 ASN 75 HD21 ASN 75 9.869 -12.677 2.023 590 HD22 ASN 75 HD22 ASN 75 10.884 -11.295 2.232 591 H GLU 76 HN GLU 76 10.339 -16.931 3.052 592 HA GLU 76 HA GLU 76 11.767 -19.329 3.414 593 HB2 GLU 76 HB2 GLU 76 11.541 -19.457 5.926 594 HB3 GLU 76 HB1 GLU 76 12.789 -18.369 5.333 595 HG2 GLU 76 HG2 GLU 76 11.760 -16.532 6.128 596 HG3 GLU 76 HG1 GLU 76 10.146 -17.160 5.800 597 H GLY 77 HN GLY 77 10.256 -20.761 2.906 598 HA2 GLY 77 HA2 GLY 77 8.312 -22.018 3.408 599 HA3 GLY 77 HA1 GLY 77 7.656 -20.622 4.250 600 H ASN 78 HN ASN 78 6.774 -22.463 1.936 601 HA ASN 78 HA ASN 78 5.480 -22.277 0.075 602 HB2 ASN 78 HB2 ASN 78 5.242 -19.407 1.006 603 HB3 ASN 78 HB1 ASN 78 4.250 -20.141 -0.250 604 HD21 ASN 78 HD21 ASN 78 5.121 -20.338 3.152 605 HD22 ASN 78 HD22 ASN 78 3.636 -21.046 3.680 606 H GLU 79 HN GLU 79 6.530 -22.546 -1.778 607 HA GLU 79 HA GLU 79 8.617 -20.747 -2.619 608 HB2 GLU 79 HB2 GLU 79 8.739 -22.263 -4.608 609 HB3 GLU 79 HB1 GLU 79 8.943 -23.078 -3.063 610 HG2 GLU 79 HG2 GLU 79 6.179 -22.990 -4.009 611 HG3 GLU 79 HG1 GLU 79 7.280 -23.879 -5.061 612 H VAL 80 HN VAL 80 7.293 -18.818 -2.775 613 HA VAL 80 HA VAL 80 5.194 -18.645 -4.708 614 HB VAL 80 HB VAL 80 5.272 -17.144 -2.766 615 HG11 VAL 80 HG11 VAL 80 6.969 -15.728 -2.271 616 HG12 VAL 80 HG12 VAL 80 7.372 -15.442 -3.964 617 HG13 VAL 80 HG13 VAL 80 7.906 -16.923 -3.168 618 HG21 VAL 80 HG21 VAL 80 5.595 -15.341 -5.119 619 HG22 VAL 80 HG22 VAL 80 4.372 -15.327 -3.849 620 HG23 VAL 80 HG23 VAL 80 4.305 -16.543 -5.125 621 H VAL 81 HN VAL 81 5.216 -17.457 -6.675 622 HA VAL 81 HA VAL 81 7.796 -17.602 -8.045 623 HB VAL 81 HB VAL 81 5.083 -17.106 -9.271 624 HG11 VAL 81 HG11 VAL 81 6.134 -17.746 -11.346 625 HG12 VAL 81 HG12 VAL 81 7.649 -18.092 -10.511 626 HG13 VAL 81 HG13 VAL 81 7.053 -16.435 -10.608 627 HG21 VAL 81 HG21 VAL 81 6.521 -19.745 -9.205 628 HG22 VAL 81 HG22 VAL 81 4.858 -19.413 -9.690 629 HG23 VAL 81 HG23 VAL 81 5.322 -19.290 -7.993 630 HA PRO 82 HA PRO 82 8.777 -13.289 -7.926 631 HB2 PRO 82 HB2 PRO 82 9.182 -13.868 -10.850 632 HB3 PRO 82 HB1 PRO 82 10.169 -12.876 -9.761 633 HG2 PRO 82 HG2 PRO 82 10.957 -15.320 -10.233 634 HG3 PRO 82 HG1 PRO 82 10.916 -14.739 -8.555 635 HD2 PRO 82 HD2 PRO 82 9.026 -16.585 -9.954 636 HD3 PRO 82 HD1 PRO 82 9.617 -16.629 -8.280 637 H LYS 83 HN LYS 83 6.678 -12.667 -7.508 638 HA LYS 83 HA LYS 83 5.257 -11.534 -9.832 639 HB2 LYS 83 HB2 LYS 83 3.139 -11.904 -8.686 640 HB3 LYS 83 HB1 LYS 83 4.004 -13.423 -8.878 641 HG2 LYS 83 HG2 LYS 83 4.710 -13.349 -6.564 642 HG3 LYS 83 HG1 LYS 83 3.933 -11.779 -6.356 643 HD2 LYS 83 HD2 LYS 83 2.268 -14.018 -7.372 644 HD3 LYS 83 HD1 LYS 83 2.740 -14.055 -5.672 645 HE2 LYS 83 HE2 LYS 83 1.938 -11.538 -5.767 646 HE3 LYS 83 HE1 LYS 83 0.984 -12.141 -7.122 647 HZ1 LYS 83 HZ1 LYS 83 -0.455 -12.576 -5.450 648 HZ2 LYS 83 HZ2 LYS 83 0.752 -12.735 -4.276 649 HZ3 LYS 83 HZ3 LYS 83 0.442 -14.007 -5.347 650 HA PRO 84 HA PRO 84 5.691 -7.513 -8.082 651 HB2 PRO 84 HB2 PRO 84 2.803 -7.162 -8.724 652 HB3 PRO 84 HB1 PRO 84 4.186 -6.156 -9.171 653 HG2 PRO 84 HG2 PRO 84 3.038 -7.756 -10.961 654 HG3 PRO 84 HG1 PRO 84 4.798 -7.546 -10.924 655 HD2 PRO 84 HD2 PRO 84 3.140 -9.838 -9.971 656 HD3 PRO 84 HD1 PRO 84 4.742 -9.843 -10.737 657 H GLN 85 HN GLN 85 4.311 -5.955 -6.610 658 HA GLN 85 HA GLN 85 3.213 -7.586 -4.414 659 HB2 GLN 85 HB2 GLN 85 4.903 -5.097 -4.385 660 HB3 GLN 85 HB1 GLN 85 3.931 -5.555 -2.993 661 HG2 GLN 85 HG2 GLN 85 6.052 -7.271 -4.263 662 HG3 GLN 85 HG1 GLN 85 6.267 -6.288 -2.815 663 HE21 GLN 85 HE21 GLN 85 5.787 -7.153 -0.909 664 HE22 GLN 85 HE22 GLN 85 4.965 -8.653 -0.669 665 H ARG 86 HN ARG 86 1.307 -6.989 -3.479 666 HA ARG 86 HA ARG 86 0.038 -4.497 -4.339 667 HB2 ARG 86 HB2 ARG 86 -0.820 -7.224 -5.053 668 HB3 ARG 86 HB1 ARG 86 -2.097 -6.195 -4.417 669 HG2 ARG 86 HG2 ARG 86 -2.283 -5.693 -6.620 670 HG3 ARG 86 HG1 ARG 86 -1.085 -4.481 -6.159 671 HD2 ARG 86 HD2 ARG 86 0.701 -6.041 -6.874 672 HD3 ARG 86 HD1 ARG 86 -0.541 -7.164 -7.425 673 HE ARG 86 HE ARG 86 -0.770 -4.537 -8.568 674 HH11 ARG 86 HH11 ARG 86 0.749 -7.664 -8.870 675 HH12 ARG 86 HH12 ARG 86 1.025 -7.504 -10.572 676 HH21 ARG 86 HH21 ARG 86 -0.407 -4.324 -10.806 677 HH22 ARG 86 HH22 ARG 86 0.370 -5.608 -11.672 678 H HIS 87 HN HIS 87 -0.177 -3.518 -2.418 679 HA HIS 87 HA HIS 87 -1.339 -5.067 -0.196 680 HB2 HIS 87 HB2 HIS 87 0.559 -2.725 -0.206 681 HB3 HIS 87 HB1 HIS 87 -0.344 -3.187 1.233 682 HD1 HIS 87 HD1 HIS 87 -0.021 -6.038 1.594 683 HD2 HIS 87 HD2 HIS 87 3.033 -3.773 -0.081 684 HE1 HIS 87 HE1 HIS 87 2.075 -7.387 1.924 685 HE2 HIS 87 HE2 HIS 87 3.922 -5.959 0.977 686 H MET 88 HN MET 88 -3.266 -4.472 0.580 687 HA MET 88 HA MET 88 -4.375 -1.896 -0.330 688 HB2 MET 88 HB2 MET 88 -6.591 -2.937 -0.239 689 HB3 MET 88 HB1 MET 88 -5.525 -3.805 -1.335 690 HG2 MET 88 HG2 MET 88 -5.317 -5.617 0.099 691 HG3 MET 88 HG1 MET 88 -5.849 -4.691 1.501 692 HE1 MET 88 HE1 MET 88 -8.858 -4.516 2.044 693 HE2 MET 88 HE2 MET 88 -9.535 -3.978 0.507 694 HE3 MET 88 HE3 MET 88 -8.032 -3.274 1.103 695 H PHE 89 HN PHE 89 -5.330 -0.563 1.135 696 HA PHE 89 HA PHE 89 -5.385 -1.473 3.937 697 HB2 PHE 89 HB2 PHE 89 -4.212 0.985 2.729 698 HB3 PHE 89 HB1 PHE 89 -4.981 1.136 4.305 699 HD1 PHE 89 HD1 PHE 89 -2.466 -0.922 2.491 700 HD2 PHE 89 HD2 PHE 89 -3.764 0.684 6.211 701 HE1 PHE 89 HE1 PHE 89 -0.420 -1.766 3.564 702 HE2 PHE 89 HE2 PHE 89 -1.719 -0.156 7.292 703 HZ PHE 89 HZ PHE 89 -0.044 -1.383 5.968 704 H SER 90 HN SER 90 -6.849 -0.159 5.326 705 HA SER 90 HA SER 90 -9.199 0.759 3.802 706 HB2 SER 90 HB2 SER 90 -9.166 -1.469 5.346 707 HB3 SER 90 HB1 SER 90 -9.648 -0.265 6.541 708 HG SER 90 HG SER 90 -11.555 -0.402 5.696 709 H PHE 91 HN PHE 91 -9.719 2.811 4.125 710 HA PHE 91 HA PHE 91 -8.827 4.111 6.615 711 HB2 PHE 91 HB2 PHE 91 -8.951 5.105 3.785 712 HB3 PHE 91 HB1 PHE 91 -9.038 6.243 5.126 713 HD1 PHE 91 HD1 PHE 91 -6.945 3.559 3.657 714 HD2 PHE 91 HD2 PHE 91 -7.101 6.962 6.207 715 HE1 PHE 91 HE1 PHE 91 -4.490 3.544 3.820 716 HE2 PHE 91 HE2 PHE 91 -4.647 6.954 6.375 717 HZ PHE 91 HZ PHE 91 -3.338 5.244 5.180 718 H ASN 92 HN ASN 92 -10.173 6.146 7.088 719 HA ASN 92 HA ASN 92 -13.015 5.619 6.526 720 HB2 ASN 92 HB2 ASN 92 -11.752 6.343 9.175 721 HB3 ASN 92 HB1 ASN 92 -13.485 6.415 8.869 722 HD21 ASN 92 HD21 ASN 92 -13.324 4.893 10.758 723 HD22 ASN 92 HD22 ASN 92 -13.196 3.209 10.393 724 H ASN 93 HN ASN 93 -11.159 7.470 5.253 725 HA ASN 93 HA ASN 93 -12.797 9.770 5.206 726 HB2 ASN 93 HB2 ASN 93 -10.458 9.804 7.019 727 HB3 ASN 93 HB1 ASN 93 -10.632 11.208 5.970 728 HD21 ASN 93 HD21 ASN 93 -10.804 11.435 8.694 729 HD22 ASN 93 HD22 ASN 93 -12.425 11.830 9.141 730 H ARG 94 HN ARG 94 -12.370 11.049 3.440 731 HA ARG 94 HA ARG 94 -10.519 9.949 1.515 732 HB2 ARG 94 HB2 ARG 94 -11.517 11.524 -0.052 733 HB3 ARG 94 HB1 ARG 94 -12.771 10.663 0.829 734 HG2 ARG 94 HG2 ARG 94 -12.922 12.646 2.358 735 HG3 ARG 94 HG1 ARG 94 -11.853 13.495 1.240 736 HD2 ARG 94 HD2 ARG 94 -13.799 14.141 0.300 737 HD3 ARG 94 HD1 ARG 94 -13.693 12.568 -0.488 738 HE ARG 94 HE ARG 94 -15.033 12.403 2.019 739 HH11 ARG 94 HH11 ARG 94 -15.466 13.327 -1.318 740 HH12 ARG 94 HH12 ARG 94 -17.174 13.040 -1.307 741 HH21 ARG 94 HH21 ARG 94 -17.279 12.025 2.036 742 HH22 ARG 94 HH22 ARG 94 -18.204 12.302 0.598 743 H THR 95 HN THR 95 -10.755 12.760 3.576 744 HA THR 95 HA THR 95 -8.682 14.255 2.313 745 HB THR 95 HB THR 95 -10.392 15.330 3.706 746 HG1 THR 95 HG1 THR 95 -8.966 16.645 4.885 747 HG21 THR 95 HG21 THR 95 -9.038 14.146 6.108 748 HG22 THR 95 HG22 THR 95 -10.533 13.509 5.423 749 HG23 THR 95 HG23 THR 95 -10.484 15.154 6.057 750 H VAL 96 HN VAL 96 -8.812 12.098 5.120 751 HA VAL 96 HA VAL 96 -6.146 12.445 5.951 752 HB VAL 96 HB VAL 96 -7.813 9.948 6.280 753 HG11 VAL 96 HG11 VAL 96 -6.397 10.074 8.516 754 HG12 VAL 96 HG12 VAL 96 -5.283 10.950 7.466 755 HG13 VAL 96 HG13 VAL 96 -5.771 9.305 7.058 756 HG21 VAL 96 HG21 VAL 96 -9.048 10.923 7.886 757 HG22 VAL 96 HG22 VAL 96 -8.596 12.424 7.078 758 HG23 VAL 96 HG23 VAL 96 -7.693 11.876 8.491 759 H MET 97 HN MET 97 -7.622 9.894 3.946 760 HA MET 97 HA MET 97 -5.264 8.485 3.408 761 HB2 MET 97 HB2 MET 97 -6.484 7.464 1.564 762 HB3 MET 97 HB1 MET 97 -7.516 7.588 2.982 763 HG2 MET 97 HG2 MET 97 -8.636 9.510 2.045 764 HG3 MET 97 HG1 MET 97 -7.550 9.497 0.657 765 HE1 MET 97 HE1 MET 97 -7.360 8.066 -0.987 766 HE2 MET 97 HE2 MET 97 -8.862 7.691 -1.832 767 HE3 MET 97 HE3 MET 97 -7.964 6.409 -1.019 768 H ASP 98 HN ASP 98 -6.625 11.356 1.958 769 HA ASP 98 HA ASP 98 -5.109 11.386 -0.417 770 HB2 ASP 98 HB2 ASP 98 -6.671 13.378 1.142 771 HB3 ASP 98 HB1 ASP 98 -5.507 14.006 -0.021 772 H ASN 99 HN ASN 99 -4.389 12.363 2.859 773 HA ASN 99 HA ASN 99 -1.981 13.775 2.148 774 HB2 ASN 99 HB2 ASN 99 -3.120 12.895 4.805 775 HB3 ASN 99 HB1 ASN 99 -1.612 13.791 4.645 776 HD21 ASN 99 HD21 ASN 99 -2.311 15.593 5.710 777 HD22 ASN 99 HD22 ASN 99 -3.513 16.662 5.078 778 H ILE 100 HN ILE 100 -2.856 10.520 2.933 779 HA ILE 100 HA ILE 100 -0.221 9.662 3.679 780 HB ILE 100 HB ILE 100 -2.552 7.967 2.774 781 HG12 ILE 100 HG12 ILE 100 -3.111 9.432 4.704 782 HG13 ILE 100 HG11 ILE 100 -3.123 7.721 5.119 783 HG21 ILE 100 HG21 ILE 100 -0.711 6.571 2.709 784 HG22 ILE 100 HG22 ILE 100 -1.312 6.321 4.348 785 HG23 ILE 100 HG23 ILE 100 0.076 7.373 4.069 786 HD11 ILE 100 HD11 ILE 100 -1.245 7.889 6.427 787 HD12 ILE 100 HD12 ILE 100 -2.015 9.451 6.706 788 HD13 ILE 100 HD13 ILE 100 -0.657 9.324 5.588 789 H LYS 101 HN LYS 101 -2.268 9.152 0.806 790 HA LYS 101 HA LYS 101 -0.332 7.798 -0.713 791 HB2 LYS 101 HB2 LYS 101 -2.725 7.766 -1.257 792 HB3 LYS 101 HB1 LYS 101 -2.662 9.476 -1.660 793 HG2 LYS 101 HG2 LYS 101 -0.735 8.543 -3.287 794 HG3 LYS 101 HG1 LYS 101 -1.790 7.131 -3.207 795 HD2 LYS 101 HD2 LYS 101 -2.950 9.841 -3.712 796 HD3 LYS 101 HD1 LYS 101 -2.193 8.946 -5.031 797 HE2 LYS 101 HE2 LYS 101 -3.702 7.084 -4.672 798 HE3 LYS 101 HE1 LYS 101 -4.417 7.901 -3.282 799 HZ1 LYS 101 HZ1 LYS 101 -5.319 9.569 -4.688 800 HZ2 LYS 101 HZ2 LYS 101 -5.719 8.077 -5.378 801 HZ3 LYS 101 HZ3 LYS 101 -4.466 9.004 -6.036 802 H MET 102 HN MET 102 -1.219 11.233 -0.588 803 HA MET 102 HA MET 102 0.501 12.128 -2.608 804 HB2 MET 102 HB2 MET 102 0.155 14.332 -1.745 805 HB3 MET 102 HB1 MET 102 -1.351 13.448 -1.550 806 HG2 MET 102 HG2 MET 102 -1.225 14.459 0.475 807 HG3 MET 102 HG1 MET 102 -0.377 12.958 0.837 808 HE1 MET 102 HE1 MET 102 -0.733 16.224 1.315 809 HE2 MET 102 HE2 MET 102 0.704 17.159 0.902 810 HE3 MET 102 HE3 MET 102 0.579 16.387 2.482 811 H THR 103 HN THR 103 1.074 11.363 0.749 812 HA THR 103 HA THR 103 3.722 12.527 0.760 813 HB THR 103 HB THR 103 2.312 10.793 2.798 814 HG1 THR 103 HG1 THR 103 1.331 12.810 2.542 815 HG21 THR 103 HG21 THR 103 4.872 10.894 2.894 816 HG22 THR 103 HG22 THR 103 3.958 11.270 4.355 817 HG23 THR 103 HG23 THR 103 4.641 12.573 3.382 818 H LEU 104 HN LEU 104 2.262 9.436 0.161 819 HA LEU 104 HA LEU 104 4.707 7.942 0.462 820 HB2 LEU 104 HB2 LEU 104 1.891 7.358 -0.169 821 HB3 LEU 104 HB1 LEU 104 3.054 6.297 -0.941 822 HG LEU 104 HG LEU 104 3.448 6.741 1.955 823 HD11 LEU 104 HD11 LEU 104 1.256 6.424 2.389 824 HD12 LEU 104 HD12 LEU 104 1.679 4.734 2.117 825 HD13 LEU 104 HD13 LEU 104 0.940 5.677 0.823 826 HD21 LEU 104 HD21 LEU 104 3.574 4.122 1.625 827 HD22 LEU 104 HD22 LEU 104 4.912 5.178 1.169 828 HD23 LEU 104 HD23 LEU 104 3.795 4.588 -0.062 829 H GLN 105 HN GLN 105 2.985 9.538 -2.112 830 HA GLN 105 HA GLN 105 4.393 8.256 -4.249 831 HB2 GLN 105 HB2 GLN 105 2.594 10.655 -4.056 832 HB3 GLN 105 HB1 GLN 105 3.456 10.296 -5.546 833 HG2 GLN 105 HG2 GLN 105 2.353 7.887 -5.007 834 HG3 GLN 105 HG1 GLN 105 1.137 8.971 -4.334 835 HE21 GLN 105 HE21 GLN 105 0.175 10.533 -5.725 836 HE22 GLN 105 HE22 GLN 105 0.100 10.262 -7.429 837 H GLN 106 HN GLN 106 4.745 11.294 -2.480 838 HA GLN 106 HA GLN 106 6.717 12.473 -4.071 839 HB2 GLN 106 HB2 GLN 106 7.214 13.876 -2.164 840 HB3 GLN 106 HB1 GLN 106 5.475 13.645 -2.281 841 HG2 GLN 106 HG2 GLN 106 5.421 12.919 -0.199 842 HG3 GLN 106 HG1 GLN 106 6.512 11.599 -0.618 843 HE21 GLN 106 HE21 GLN 106 6.915 15.115 -0.362 844 HE22 GLN 106 HE22 GLN 106 8.242 15.055 0.742 845 H ILE 107 HN ILE 107 6.916 9.951 -1.673 846 HA ILE 107 HA ILE 107 9.714 10.075 -1.227 847 HB ILE 107 HB ILE 107 7.931 7.654 -0.959 848 HG12 ILE 107 HG12 ILE 107 8.661 9.453 1.323 849 HG13 ILE 107 HG11 ILE 107 7.319 9.895 0.272 850 HG21 ILE 107 HG21 ILE 107 10.086 6.853 -0.751 851 HG22 ILE 107 HG22 ILE 107 9.678 7.234 0.922 852 HG23 ILE 107 HG23 ILE 107 10.680 8.342 -0.015 853 HD11 ILE 107 HD11 ILE 107 7.553 7.701 2.237 854 HD12 ILE 107 HD12 ILE 107 6.610 7.389 0.779 855 HD13 ILE 107 HD13 ILE 107 6.178 8.731 1.838 856 H ILE 108 HN ILE 108 7.787 7.762 -3.149 857 HA ILE 108 HA ILE 108 9.986 6.496 -4.353 858 HB ILE 108 HB ILE 108 7.221 6.760 -5.536 859 HG12 ILE 108 HG12 ILE 108 7.919 4.324 -4.031 860 HG13 ILE 108 HG11 ILE 108 7.752 5.773 -3.046 861 HG21 ILE 108 HG21 ILE 108 7.780 5.158 -7.015 862 HG22 ILE 108 HG22 ILE 108 8.787 4.291 -5.855 863 HG23 ILE 108 HG23 ILE 108 9.424 5.707 -6.690 864 HD11 ILE 108 HD11 ILE 108 5.681 4.419 -3.265 865 HD12 ILE 108 HD12 ILE 108 5.664 4.817 -4.983 866 HD13 ILE 108 HD13 ILE 108 5.510 6.097 -3.780 867 H SER 109 HN SER 109 8.204 9.388 -5.190 868 HA SER 109 HA SER 109 9.317 9.631 -7.821 869 HB2 SER 109 HB2 SER 109 7.112 10.654 -6.840 870 HB3 SER 109 HB1 SER 109 8.175 11.958 -6.312 871 HG SER 109 HG SER 109 8.897 11.964 -8.600 872 H ARG 110 HN ARG 110 10.160 10.737 -4.616 873 HA ARG 110 HA ARG 110 12.076 12.679 -5.452 874 HB2 ARG 110 HB2 ARG 110 11.255 11.436 -2.885 875 HB3 ARG 110 HB1 ARG 110 12.872 12.123 -2.949 876 HG2 ARG 110 HG2 ARG 110 11.818 14.248 -3.787 877 HG3 ARG 110 HG1 ARG 110 10.254 13.528 -3.398 878 HD2 ARG 110 HD2 ARG 110 10.857 14.848 -1.530 879 HD3 ARG 110 HD1 ARG 110 11.138 13.171 -1.061 880 HE ARG 110 HE ARG 110 13.375 13.628 -0.888 881 HH11 ARG 110 HH11 ARG 110 11.823 16.219 -2.637 882 HH12 ARG 110 HH12 ARG 110 13.228 17.231 -2.633 883 HH21 ARG 110 HH21 ARG 110 15.224 14.957 -0.882 884 HH22 ARG 110 HH22 ARG 110 15.159 16.515 -1.638 885 H TYR 111 HN TYR 111 12.157 9.251 -4.786 886 HA TYR 111 HA TYR 111 15.065 9.172 -4.929 887 HB2 TYR 111 HB2 TYR 111 13.048 6.951 -4.547 888 HB3 TYR 111 HB1 TYR 111 14.797 6.763 -4.462 889 HD1 TYR 111 HD1 TYR 111 15.540 9.187 -2.924 890 HD2 TYR 111 HD2 TYR 111 12.329 6.450 -2.381 891 HE1 TYR 111 HE1 TYR 111 15.485 9.736 -0.527 892 HE2 TYR 111 HE2 TYR 111 12.263 6.992 0.016 893 HH TYR 111 HH TYR 111 12.924 8.755 1.525 894 H LYS 112 HN LYS 112 12.936 9.627 -7.220 895 HA LYS 112 HA LYS 112 14.233 7.772 -9.106 896 HB2 LYS 112 HB2 LYS 112 11.377 8.574 -8.812 897 HB3 LYS 112 HB1 LYS 112 11.992 8.295 -10.436 898 HG2 LYS 112 HG2 LYS 112 12.904 6.082 -9.233 899 HG3 LYS 112 HG1 LYS 112 11.472 6.388 -8.248 900 HD2 LYS 112 HD2 LYS 112 10.058 6.359 -10.187 901 HD3 LYS 112 HD1 LYS 112 11.456 6.273 -11.261 902 HE2 LYS 112 HE2 LYS 112 10.802 4.166 -9.211 903 HE3 LYS 112 HE1 LYS 112 10.244 4.100 -10.882 904 HZ1 LYS 112 HZ1 LYS 112 13.098 4.520 -10.465 905 HZ2 LYS 112 HZ2 LYS 112 12.299 3.609 -11.645 906 HZ3 LYS 112 HZ3 LYS 112 12.496 2.984 -10.086 907 H ASP 113 HN ASP 113 12.748 10.962 -8.695 908 HA ASP 113 HA ASP 113 13.628 11.944 -11.229 909 HB2 ASP 113 HB2 ASP 113 11.709 12.770 -9.583 910 HB3 ASP 113 HB1 ASP 113 12.998 13.815 -8.994 911 H ALA 114 HN ALA 114 14.893 11.992 -7.957 912 HA ALA 114 HA ALA 114 17.085 13.752 -8.698 913 HB1 ALA 114 HB1 ALA 114 17.726 13.011 -6.210 914 HB2 ALA 114 HB2 ALA 114 15.996 12.668 -6.171 915 HB3 ALA 114 HB3 ALA 114 16.564 14.292 -6.560 916 H ASP 115 HN ASP 115 17.047 10.641 -6.958 917 HA ASP 115 HA ASP 115 19.665 9.997 -8.000 918 HB2 ASP 115 HB2 ASP 115 17.846 8.880 -5.931 919 HB3 ASP 115 HB1 ASP 115 18.988 7.765 -6.677 920 H1 ASP 453 HN ASP 453 -15.063 -17.271 -3.841 921 HA ASP 453 HA ASP 453 -12.955 -15.992 -5.421 922 HB2 ASP 453 HB2 ASP 453 -15.495 -17.411 -6.071 923 HB3 ASP 453 HB1 ASP 453 -14.942 -16.164 -7.185 924 H LEU 454 HN LEU 454 -13.133 -14.077 -4.002 925 HA LEU 454 HA LEU 454 -15.199 -12.264 -5.032 926 HB2 LEU 454 HB2 LEU 454 -15.318 -13.254 -2.502 927 HB3 LEU 454 HB1 LEU 454 -14.382 -11.794 -2.242 928 HG LEU 454 HG LEU 454 -16.686 -11.281 -1.857 929 HD11 LEU 454 HD11 LEU 454 -15.709 -10.227 -4.503 930 HD12 LEU 454 HD12 LEU 454 -15.497 -9.501 -2.909 931 HD13 LEU 454 HD13 LEU 454 -17.101 -9.579 -3.637 932 HD21 LEU 454 HD21 LEU 454 -17.472 -11.977 -4.645 933 HD22 LEU 454 HD22 LEU 454 -18.456 -11.885 -3.184 934 HD23 LEU 454 HD23 LEU 454 -17.379 -13.258 -3.436 935 H ASP 455 HN ASP 455 -12.101 -12.841 -5.174 936 HA ASP 455 HA ASP 455 -10.920 -10.396 -4.280 937 HB2 ASP 455 HB2 ASP 455 -8.925 -11.186 -5.529 938 HB3 ASP 455 HB1 ASP 455 -9.565 -12.405 -4.431 939 H GLU 456 HN GLU 456 -12.406 -11.503 -7.228 940 HA GLU 456 HA GLU 456 -11.357 -9.669 -9.050 941 HB2 GLU 456 HB2 GLU 456 -13.108 -11.708 -9.237 942 HB3 GLU 456 HB1 GLU 456 -14.227 -10.355 -9.320 943 HG2 GLU 456 HG2 GLU 456 -13.802 -10.379 -11.504 944 HG3 GLU 456 HG1 GLU 456 -12.289 -9.583 -11.073 945 H SER 457 HN SER 457 -13.811 -9.299 -6.596 946 HA SER 457 HA SER 457 -14.709 -6.739 -7.591 947 HB2 SER 457 HB2 SER 457 -16.008 -8.560 -6.168 948 HB3 SER 457 HB1 SER 457 -15.319 -7.663 -4.815 949 HG SER 457 HG SER 457 -16.550 -5.988 -5.275 950 H TRP 458 HN TRP 458 -12.455 -7.952 -5.215 951 HA TRP 458 HA TRP 458 -12.043 -5.364 -3.997 952 HB2 TRP 458 HB2 TRP 458 -11.410 -8.089 -3.359 953 HB3 TRP 458 HB1 TRP 458 -9.935 -7.128 -3.303 954 HD1 TRP 458 HD1 TRP 458 -9.654 -7.032 -0.709 955 HE1 TRP 458 HE1 TRP 458 -11.011 -5.957 1.196 956 HE3 TRP 458 HE3 TRP 458 -13.899 -5.848 -3.303 957 HZ2 TRP 458 HZ2 TRP 458 -13.545 -4.765 1.551 958 HZ3 TRP 458 HZ3 TRP 458 -15.742 -4.742 -2.106 959 HH2 TRP 458 HH2 TRP 458 -15.568 -4.213 0.271 960 H ASP 459 HN ASP 459 -10.575 -7.321 -6.481 961 HA ASP 459 HA ASP 459 -8.135 -5.825 -6.614 962 HB2 ASP 459 HB2 ASP 459 -8.290 -8.179 -7.362 963 HB3 ASP 459 HB1 ASP 459 -9.366 -7.680 -8.664 964 H TYR 460 HN TYR 460 -11.273 -5.656 -8.145 965 HA TYR 460 HA TYR 460 -10.524 -3.877 -10.236 966 HB2 TYR 460 HB2 TYR 460 -12.576 -5.317 -10.244 967 HB3 TYR 460 HB1 TYR 460 -13.269 -4.252 -9.026 968 HD1 TYR 460 HD2 TYR 460 -12.174 -4.484 -12.538 969 HD2 TYR 460 HD1 TYR 460 -14.166 -2.115 -9.619 970 HE1 TYR 460 HE2 TYR 460 -13.022 -3.016 -14.318 971 HE2 TYR 460 HE1 TYR 460 -15.021 -0.640 -11.392 972 HH TYR 460 HH TYR 460 -13.876 -0.273 -14.191 973 H ILE 461 HN ILE 461 -12.002 -3.413 -7.044 974 HA ILE 461 HA ILE 461 -12.408 -0.653 -7.201 975 HB ILE 461 HB ILE 461 -13.368 -2.039 -5.421 976 HG12 ILE 461 HG12 ILE 461 -11.579 0.171 -4.381 977 HG13 ILE 461 HG11 ILE 461 -13.180 0.387 -5.083 978 HG21 ILE 461 HG21 ILE 461 -11.705 -3.579 -4.860 979 HG22 ILE 461 HG22 ILE 461 -11.825 -2.538 -3.442 980 HG23 ILE 461 HG23 ILE 461 -10.502 -2.319 -4.587 981 HD11 ILE 461 HD11 ILE 461 -14.127 -0.946 -3.239 982 HD12 ILE 461 HD12 ILE 461 -13.317 0.523 -2.691 983 HD13 ILE 461 HD13 ILE 461 -12.519 -1.041 -2.521 984 H PHE 462 HN PHE 462 -9.520 -2.507 -6.589 985 HA PHE 462 HA PHE 462 -8.037 -0.057 -5.948 986 HB2 PHE 462 HB2 PHE 462 -7.321 -2.973 -5.618 987 HB3 PHE 462 HB1 PHE 462 -6.197 -1.653 -5.314 988 HD1 PHE 462 HD2 PHE 462 -7.509 0.298 -3.826 989 HD2 PHE 462 HD1 PHE 462 -8.126 -3.910 -3.697 990 HE1 PHE 462 HE2 PHE 462 -8.363 0.498 -1.527 991 HE2 PHE 462 HE1 PHE 462 -8.982 -3.718 -1.398 992 HZ PHE 462 HZ PHE 462 -9.101 -1.512 -0.310 993 H GLU 463 HN GLU 463 -8.874 -1.695 -8.636 994 HA GLU 463 HA GLU 463 -6.257 -1.473 -9.934 995 HB2 GLU 463 HB2 GLU 463 -8.727 -3.029 -10.457 996 HB3 GLU 463 HB1 GLU 463 -7.820 -2.498 -11.867 997 HG2 GLU 463 HG2 GLU 463 -6.431 -3.886 -9.616 998 HG3 GLU 463 HG1 GLU 463 -7.326 -4.809 -10.823 999 H THR 464 HN THR 464 -8.745 0.536 -9.338 1000 HA THR 464 HA THR 464 -9.452 1.623 -11.817 1001 HB THR 464 HB THR 464 -10.641 2.149 -9.738 1002 HG1 THR 464 HG1 THR 464 -10.566 3.661 -11.566 1003 HG21 THR 464 HG21 THR 464 -8.902 4.253 -8.804 1004 HG22 THR 464 HG22 THR 464 -8.150 2.665 -8.655 1005 HG23 THR 464 HG23 THR 464 -9.717 2.974 -7.905 1006 H THR 465 HN THR 465 -8.458 2.943 -13.213 1007 HA THR 465 HA THR 465 -5.993 4.297 -12.357 1008 HB THR 465 HB THR 465 -5.169 3.779 -14.758 1009 HG1 THR 465 HG1 THR 465 -6.027 1.911 -15.643 1010 HG21 THR 465 HG21 THR 465 -5.221 1.889 -12.468 1011 HG22 THR 465 HG22 THR 465 -3.862 2.735 -13.210 1012 HG23 THR 465 HG23 THR 465 -4.580 1.340 -14.017 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 0.588 15.863 7.451 2 H3 PRO 1 HT2 PRO 1 -0.059 17.311 7.013 3 HA PRO 1 HA PRO 1 0.813 18.142 8.665 4 HB2 PRO 1 HB2 PRO 1 -0.574 16.739 10.790 5 HB3 PRO 1 HB1 PRO 1 -0.789 18.400 10.224 6 HG2 PRO 1 HG2 PRO 1 -2.636 16.440 9.824 7 HG3 PRO 1 HG1 PRO 1 -2.425 17.821 8.733 8 HD2 PRO 1 HD2 PRO 1 -1.406 15.009 8.450 9 HD3 PRO 1 HD1 PRO 1 -2.148 16.061 7.229 10 H SER 2 HN SER 2 2.918 17.451 8.672 11 HA SER 2 HA SER 2 4.808 16.420 9.402 12 HB2 SER 2 HB2 SER 2 3.933 17.077 11.621 13 HB3 SER 2 HB1 SER 2 3.060 15.547 11.716 14 HG SER 2 HG SER 2 4.900 15.078 12.727 15 H HIS 3 HN HIS 3 2.974 14.998 7.643 16 HA HIS 3 HA HIS 3 2.739 12.953 6.677 17 HB2 HIS 3 HB2 HIS 3 5.202 12.408 8.342 18 HB3 HIS 3 HB1 HIS 3 4.553 11.271 7.164 19 HD1 HIS 3 HD1 HIS 3 6.096 14.715 7.356 20 HD2 HIS 3 HD2 HIS 3 5.281 11.750 4.562 21 HE1 HIS 3 HE1 HIS 3 7.251 15.445 5.245 22 HE2 HIS 3 HE2 HIS 3 6.819 13.591 3.595 23 H SER 4 HN SER 4 0.730 12.581 7.697 24 HA SER 4 HA SER 4 0.534 10.161 9.101 25 HB2 SER 4 HB2 SER 4 -0.335 11.008 11.275 26 HB3 SER 4 HB1 SER 4 1.368 11.393 11.024 27 HG SER 4 HG SER 4 0.851 13.485 10.646 28 H GLY 5 HN GLY 5 -1.450 9.346 8.772 29 HA2 GLY 5 HA2 GLY 5 -3.738 11.139 8.516 30 HA3 GLY 5 HA1 GLY 5 -3.312 10.204 7.091 31 H ALA 6 HN ALA 6 -5.645 10.227 9.067 32 HA ALA 6 HA ALA 6 -5.661 7.808 10.493 33 HB1 ALA 6 HB1 ALA 6 -8.214 8.834 9.384 34 HB2 ALA 6 HB2 ALA 6 -7.303 9.891 10.461 35 HB3 ALA 6 HB3 ALA 6 -7.820 8.300 11.018 36 H ALA 7 HN ALA 7 -5.121 5.969 9.452 37 HA ALA 7 HA ALA 7 -6.614 5.295 7.002 38 HB1 ALA 7 HB1 ALA 7 -4.746 3.721 6.520 39 HB2 ALA 7 HB2 ALA 7 -3.891 4.381 7.914 40 HB3 ALA 7 HB3 ALA 7 -4.266 5.418 6.538 41 H ILE 8 HN ILE 8 -7.868 3.521 6.982 42 HA ILE 8 HA ILE 8 -8.032 1.964 9.459 43 HB ILE 8 HB ILE 8 -9.975 1.955 7.150 44 HG12 ILE 8 HG12 ILE 8 -11.357 3.353 8.834 45 HG13 ILE 8 HG11 ILE 8 -9.809 3.689 9.604 46 HG21 ILE 8 HG21 ILE 8 -9.754 0.128 9.100 47 HG22 ILE 8 HG22 ILE 8 -11.293 0.584 8.369 48 HG23 ILE 8 HG23 ILE 8 -10.802 1.297 9.905 49 HD11 ILE 8 HD11 ILE 8 -9.093 5.008 7.897 50 HD12 ILE 8 HD12 ILE 8 -10.831 5.285 7.780 51 HD13 ILE 8 HD13 ILE 8 -10.043 4.149 6.684 52 H PHE 9 HN PHE 9 -6.981 0.100 9.518 53 HA PHE 9 HA PHE 9 -6.764 -1.475 7.036 54 HB2 PHE 9 HB2 PHE 9 -4.599 -0.523 7.903 55 HB3 PHE 9 HB1 PHE 9 -4.809 -1.517 9.341 56 HD1 PHE 9 HD1 PHE 9 -5.317 -2.221 5.715 57 HD2 PHE 9 HD2 PHE 9 -3.254 -3.206 9.304 58 HE1 PHE 9 HE1 PHE 9 -4.227 -4.104 4.566 59 HE2 PHE 9 HE2 PHE 9 -2.159 -5.091 8.162 60 HZ PHE 9 HZ PHE 9 -2.645 -5.541 5.789 61 H GLU 10 HN GLU 10 -7.426 -3.550 7.082 62 HA GLU 10 HA GLU 10 -8.395 -5.473 7.812 63 HB2 GLU 10 HB2 GLU 10 -7.184 -4.804 10.497 64 HB3 GLU 10 HB1 GLU 10 -7.706 -6.387 9.940 65 HG2 GLU 10 HG2 GLU 10 -5.702 -5.070 8.248 66 HG3 GLU 10 HG1 GLU 10 -5.158 -5.498 9.869 67 H LYS 11 HN LYS 11 -9.856 -2.987 7.931 68 HA LYS 11 HA LYS 11 -11.889 -2.227 8.609 69 HB2 LYS 11 HB2 LYS 11 -12.176 -4.909 8.584 70 HB3 LYS 11 HB1 LYS 11 -12.488 -4.595 10.285 71 HG2 LYS 11 HG2 LYS 11 -13.952 -3.399 7.942 72 HG3 LYS 11 HG1 LYS 11 -14.561 -4.622 9.060 73 HD2 LYS 11 HD2 LYS 11 -14.585 -3.078 10.867 74 HD3 LYS 11 HD1 LYS 11 -13.673 -1.883 9.942 75 HE2 LYS 11 HE2 LYS 11 -15.713 -2.064 8.302 76 HE3 LYS 11 HE1 LYS 11 -16.545 -2.664 9.736 77 HZ1 LYS 11 HZ1 LYS 11 -16.852 -0.313 9.587 78 HZ2 LYS 11 HZ2 LYS 11 -15.190 -0.040 9.434 79 HZ3 LYS 11 HZ3 LYS 11 -15.820 -0.620 10.892 80 H VAL 12 HN VAL 12 -9.563 -1.639 10.164 81 HA VAL 12 HA VAL 12 -10.832 -1.204 12.786 82 HB VAL 12 HB VAL 12 -7.882 -1.692 12.356 83 HG11 VAL 12 HG11 VAL 12 -7.548 -1.198 14.524 84 HG12 VAL 12 HG12 VAL 12 -9.063 -1.943 15.033 85 HG13 VAL 12 HG13 VAL 12 -9.063 -0.309 14.372 86 HG21 VAL 12 HG21 VAL 12 -8.881 -3.781 11.998 87 HG22 VAL 12 HG22 VAL 12 -10.093 -3.514 13.250 88 HG23 VAL 12 HG23 VAL 12 -8.412 -3.802 13.698 89 H SER 13 HN SER 13 -10.732 0.822 13.589 90 HA SER 13 HA SER 13 -9.786 2.910 11.829 91 HB2 SER 13 HB2 SER 13 -10.649 4.282 13.968 92 HB3 SER 13 HB1 SER 13 -11.749 3.646 12.745 93 HG SER 13 HG SER 13 -11.108 2.529 15.268 94 H GLY 14 HN GLY 14 -7.697 3.425 11.840 95 HA2 GLY 14 HA2 GLY 14 -6.429 4.038 14.401 96 HA3 GLY 14 HA1 GLY 14 -5.653 2.821 13.399 97 H ILE 15 HN ILE 15 -4.232 5.020 14.081 98 HA ILE 15 HA ILE 15 -4.318 6.774 11.722 99 HB ILE 15 HB ILE 15 -2.717 7.243 14.232 100 HG12 ILE 15 HG12 ILE 15 -5.056 7.115 14.879 101 HG13 ILE 15 HG11 ILE 15 -4.533 8.796 14.907 102 HG21 ILE 15 HG21 ILE 15 -2.187 8.421 12.031 103 HG22 ILE 15 HG22 ILE 15 -2.423 9.433 13.457 104 HG23 ILE 15 HG23 ILE 15 -3.712 9.277 12.263 105 HD11 ILE 15 HD11 ILE 15 -6.603 7.511 13.333 106 HD12 ILE 15 HD12 ILE 15 -5.513 8.500 12.362 107 HD13 ILE 15 HD13 ILE 15 -6.368 9.213 13.730 108 H ILE 16 HN ILE 16 -2.675 6.827 10.291 109 HA ILE 16 HA ILE 16 -0.472 4.945 10.731 110 HB ILE 16 HB ILE 16 -2.077 5.035 8.613 111 HG12 ILE 16 HG12 ILE 16 0.745 4.593 7.845 112 HG13 ILE 16 HG11 ILE 16 0.182 3.707 9.259 113 HG21 ILE 16 HG21 ILE 16 -1.451 6.378 6.863 114 HG22 ILE 16 HG22 ILE 16 0.195 6.582 7.464 115 HG23 ILE 16 HG23 ILE 16 -1.137 7.452 8.227 116 HD11 ILE 16 HD11 ILE 16 -0.432 3.326 6.434 117 HD12 ILE 16 HD12 ILE 16 -1.843 3.280 7.491 118 HD13 ILE 16 HD13 ILE 16 -0.490 2.185 7.778 119 H ALA 17 HN ALA 17 1.692 5.531 10.268 120 HA ALA 17 HA ALA 17 2.251 8.386 9.954 121 HB1 ALA 17 HB1 ALA 17 3.130 6.693 12.274 122 HB2 ALA 17 HB2 ALA 17 2.300 8.249 12.298 123 HB3 ALA 17 HB3 ALA 17 3.990 8.159 11.802 124 H ILE 18 HN ILE 18 3.871 8.741 8.577 125 HA ILE 18 HA ILE 18 5.467 6.446 7.700 126 HB ILE 18 HB ILE 18 5.289 9.157 6.390 127 HG12 ILE 18 HG12 ILE 18 3.719 6.644 5.772 128 HG13 ILE 18 HG11 ILE 18 3.062 8.108 6.498 129 HG21 ILE 18 HG21 ILE 18 7.145 8.199 5.465 130 HG22 ILE 18 HG22 ILE 18 5.903 7.541 4.399 131 HG23 ILE 18 HG23 ILE 18 6.554 6.555 5.708 132 HD11 ILE 18 HD11 ILE 18 3.013 9.220 4.534 133 HD12 ILE 18 HD12 ILE 18 2.892 7.578 3.901 134 HD13 ILE 18 HD13 ILE 18 4.448 8.409 3.908 135 H ASN 19 HN ASN 19 7.630 6.338 7.941 136 HA ASN 19 HA ASN 19 8.910 8.515 9.437 137 HB2 ASN 19 HB2 ASN 19 9.529 5.578 9.173 138 HB3 ASN 19 HB1 ASN 19 10.694 6.716 9.844 139 HD21 ASN 19 HD21 ASN 19 9.383 8.319 11.427 140 HD22 ASN 19 HD22 ASN 19 8.530 7.470 12.666 141 H GLU 20 HN GLU 20 9.610 9.925 7.897 142 HA GLU 20 HA GLU 20 10.987 8.977 5.535 143 HB2 GLU 20 HB2 GLU 20 10.743 11.841 6.437 144 HB3 GLU 20 HB1 GLU 20 10.999 11.236 4.806 145 HG2 GLU 20 HG2 GLU 20 8.645 10.061 5.404 146 HG3 GLU 20 HG1 GLU 20 8.518 11.547 6.343 147 H ASP 21 HN ASP 21 11.799 10.117 8.696 148 HA ASP 21 HA ASP 21 14.334 11.165 8.338 149 HB2 ASP 21 HB2 ASP 21 13.418 9.415 10.630 150 HB3 ASP 21 HB1 ASP 21 14.772 10.541 10.659 151 H VAL 22 HN VAL 22 13.276 7.840 8.255 152 HA VAL 22 HA VAL 22 16.012 6.843 8.191 153 HB VAL 22 HB VAL 22 14.332 5.580 9.460 154 HG11 VAL 22 HG11 VAL 22 12.644 6.136 7.363 155 HG12 VAL 22 HG12 VAL 22 12.321 5.011 8.681 156 HG13 VAL 22 HG13 VAL 22 12.982 4.417 7.158 157 HG21 VAL 22 HG21 VAL 22 14.859 3.690 7.274 158 HG22 VAL 22 HG22 VAL 22 15.302 3.609 8.979 159 HG23 VAL 22 HG23 VAL 22 16.269 4.571 7.861 160 H SER 23 HN SER 23 16.936 5.785 6.427 161 HA SER 23 HA SER 23 16.432 6.858 3.909 162 HB2 SER 23 HB2 SER 23 18.103 4.631 4.949 163 HB3 SER 23 HB1 SER 23 17.802 4.667 3.212 164 HG SER 23 HG SER 23 19.422 6.240 4.717 165 HA PRO 24 HA PRO 24 14.414 2.691 2.477 166 HB2 PRO 24 HB2 PRO 24 13.666 0.984 4.506 167 HB3 PRO 24 HB1 PRO 24 15.155 0.835 3.569 168 HG2 PRO 24 HG2 PRO 24 14.727 2.036 6.272 169 HG3 PRO 24 HG1 PRO 24 16.060 1.020 5.695 170 HD2 PRO 24 HD2 PRO 24 16.326 3.681 5.942 171 HD3 PRO 24 HD1 PRO 24 17.111 2.787 4.625 172 H ALA 25 HN ALA 25 13.484 4.525 5.241 173 HA ALA 25 HA ALA 25 11.501 5.429 5.896 174 HB1 ALA 25 HB1 ALA 25 9.635 5.114 3.980 175 HB2 ALA 25 HB2 ALA 25 11.101 4.872 3.030 176 HB3 ALA 25 HB3 ALA 25 10.877 6.365 3.942 177 H GLU 26 HN GLU 26 9.517 4.853 6.858 178 HA GLU 26 HA GLU 26 8.611 2.096 6.548 179 HB2 GLU 26 HB2 GLU 26 9.870 3.235 8.995 180 HB3 GLU 26 HB1 GLU 26 8.499 2.155 9.207 181 HG2 GLU 26 HG2 GLU 26 9.659 0.334 8.575 182 HG3 GLU 26 HG1 GLU 26 10.591 1.214 7.365 183 H LEU 27 HN LEU 27 6.476 1.743 7.147 184 HA LEU 27 HA LEU 27 4.932 4.176 7.769 185 HB2 LEU 27 HB2 LEU 27 4.457 3.448 5.532 186 HB3 LEU 27 HB1 LEU 27 4.231 1.792 6.061 187 HG LEU 27 HG LEU 27 2.436 3.925 7.138 188 HD11 LEU 27 HD11 LEU 27 1.887 4.477 5.027 189 HD12 LEU 27 HD12 LEU 27 0.981 2.965 5.078 190 HD13 LEU 27 HD13 LEU 27 2.585 3.007 4.348 191 HD21 LEU 27 HD21 LEU 27 2.573 1.019 7.069 192 HD22 LEU 27 HD22 LEU 27 1.000 1.644 6.574 193 HD23 LEU 27 HD23 LEU 27 1.670 2.086 8.145 194 H THR 28 HN THR 28 4.394 4.094 9.861 195 HA THR 28 HA THR 28 3.718 1.517 11.074 196 HB THR 28 HB THR 28 4.002 4.173 12.478 197 HG1 THR 28 HG1 THR 28 6.065 4.009 12.254 198 HG21 THR 28 HG21 THR 28 3.936 1.331 13.380 199 HG22 THR 28 HG22 THR 28 3.081 2.733 14.022 200 HG23 THR 28 HG23 THR 28 4.811 2.546 14.311 201 H TRP 29 HN TRP 29 1.726 1.016 11.819 202 HA TRP 29 HA TRP 29 -0.363 3.082 11.646 203 HB2 TRP 29 HB2 TRP 29 -0.636 1.691 9.700 204 HB3 TRP 29 HB1 TRP 29 -0.501 0.225 10.665 205 HD1 TRP 29 HD1 TRP 29 -2.903 3.272 10.410 206 HE1 TRP 29 HE1 TRP 29 -5.292 2.429 10.862 207 HE3 TRP 29 HE3 TRP 29 -1.857 -1.627 11.431 208 HZ2 TRP 29 HZ2 TRP 29 -6.565 0.008 11.560 209 HZ3 TRP 29 HZ3 TRP 29 -3.717 -3.140 11.982 210 HH2 TRP 29 HH2 TRP 29 -6.022 -2.338 12.045 211 H ARG 30 HN ARG 30 -1.233 3.406 13.573 212 HA ARG 30 HA ARG 30 -1.441 1.125 15.429 213 HB2 ARG 30 HB2 ARG 30 -1.410 2.945 17.230 214 HB3 ARG 30 HB1 ARG 30 0.110 2.583 16.424 215 HG2 ARG 30 HG2 ARG 30 -1.502 4.727 15.210 216 HG3 ARG 30 HG1 ARG 30 -0.832 5.068 16.807 217 HD2 ARG 30 HD2 ARG 30 1.315 3.966 15.584 218 HD3 ARG 30 HD1 ARG 30 0.519 4.736 14.212 219 HE ARG 30 HE ARG 30 0.542 6.689 16.079 220 HH11 ARG 30 HH11 ARG 30 3.026 4.614 14.775 221 HH12 ARG 30 HH12 ARG 30 4.290 5.777 14.998 222 HH21 ARG 30 HH21 ARG 30 2.202 8.220 16.372 223 HH22 ARG 30 HH22 ARG 30 3.822 7.824 15.905 224 H SER 31 HN SER 31 -3.378 0.727 16.373 225 HA SER 31 HA SER 31 -5.728 1.678 15.199 226 HB2 SER 31 HB2 SER 31 -5.877 -0.417 16.267 227 HB3 SER 31 HB1 SER 31 -5.181 0.199 17.765 228 HG SER 31 HG SER 31 -7.676 -0.095 17.330 229 H THR 32 HN THR 32 -7.475 2.900 16.175 230 HA THR 32 HA THR 32 -6.681 5.417 17.090 231 HB THR 32 HB THR 32 -8.804 5.079 15.958 232 HG1 THR 32 HG1 THR 32 -9.681 6.640 17.047 233 HG21 THR 32 HG21 THR 32 -10.700 4.030 16.969 234 HG22 THR 32 HG22 THR 32 -9.779 3.676 18.431 235 HG23 THR 32 HG23 THR 32 -9.370 2.872 16.915 236 H ASP 33 HN ASP 33 -7.551 2.513 18.825 237 HA ASP 33 HA ASP 33 -7.494 3.929 21.382 238 HB2 ASP 33 HB2 ASP 33 -8.404 1.207 20.512 239 HB3 ASP 33 HB1 ASP 33 -8.025 1.501 22.207 240 H GLY 34 HN GLY 34 -5.846 1.285 19.683 241 HA2 GLY 34 HA2 GLY 34 -3.399 1.232 19.874 242 HA3 GLY 34 HA1 GLY 34 -3.601 1.619 21.576 243 H ASP 35 HN ASP 35 -5.237 -0.771 19.513 244 HA ASP 35 HA ASP 35 -4.469 -2.832 21.465 245 HB2 ASP 35 HB2 ASP 35 -6.959 -2.236 20.724 246 HB3 ASP 35 HB1 ASP 35 -6.569 -3.346 19.413 247 H LYS 36 HN LYS 36 -4.693 -2.159 17.998 248 HA LYS 36 HA LYS 36 -2.730 -4.306 17.543 249 HB2 LYS 36 HB2 LYS 36 -5.252 -3.680 16.051 250 HB3 LYS 36 HB1 LYS 36 -3.892 -4.397 15.198 251 HG2 LYS 36 HG2 LYS 36 -4.107 -6.400 16.246 252 HG3 LYS 36 HG1 LYS 36 -4.746 -5.683 17.726 253 HD2 LYS 36 HD2 LYS 36 -6.616 -6.734 16.877 254 HD3 LYS 36 HD1 LYS 36 -6.800 -5.105 16.223 255 HE2 LYS 36 HE2 LYS 36 -5.759 -5.858 14.122 256 HE3 LYS 36 HE1 LYS 36 -5.647 -7.490 14.780 257 HZ1 LYS 36 HZ1 LYS 36 -7.577 -7.492 13.499 258 HZ2 LYS 36 HZ2 LYS 36 -8.073 -5.970 14.046 259 HZ3 LYS 36 HZ3 LYS 36 -8.151 -7.306 15.081 260 H VAL 37 HN VAL 37 -0.910 -3.632 16.626 261 HA VAL 37 HA VAL 37 -0.968 -1.305 14.847 262 HB VAL 37 HB VAL 37 -0.335 -0.463 17.073 263 HG11 VAL 37 HG11 VAL 37 2.291 -1.785 17.062 264 HG12 VAL 37 HG12 VAL 37 0.922 -2.830 17.440 265 HG13 VAL 37 HG13 VAL 37 1.222 -1.386 18.407 266 HG21 VAL 37 HG21 VAL 37 2.019 0.385 16.336 267 HG22 VAL 37 HG22 VAL 37 0.587 0.855 15.420 268 HG23 VAL 37 HG23 VAL 37 1.630 -0.436 14.824 269 H HIS 38 HN HIS 38 0.398 -1.437 13.139 270 HA HIS 38 HA HIS 38 2.517 -3.446 13.144 271 HB2 HIS 38 HB2 HIS 38 0.518 -4.586 12.243 272 HB3 HIS 38 HB1 HIS 38 0.374 -3.338 11.010 273 HD1 HIS 38 HD1 HIS 38 1.839 -6.583 11.604 274 HD2 HIS 38 HD2 HIS 38 2.746 -3.293 9.234 275 HE1 HIS 38 HE1 HIS 38 3.427 -7.435 9.850 276 HE2 HIS 38 HE2 HIS 38 4.030 -5.408 8.482 277 H THR 39 HN THR 39 4.143 -3.094 11.583 278 HA THR 39 HA THR 39 3.997 -0.500 10.196 279 HB THR 39 HB THR 39 6.542 -1.578 11.391 280 HG1 THR 39 HG1 THR 39 6.146 -0.330 13.192 281 HG21 THR 39 HG21 THR 39 7.223 0.769 11.377 282 HG22 THR 39 HG22 THR 39 5.692 1.201 10.616 283 HG23 THR 39 HG23 THR 39 6.846 0.179 9.759 284 H VAL 40 HN VAL 40 5.022 -0.357 8.203 285 HA VAL 40 HA VAL 40 6.304 -2.763 7.143 286 HB VAL 40 HB VAL 40 3.936 -2.967 6.524 287 HG11 VAL 40 HG11 VAL 40 3.993 -0.718 4.635 288 HG12 VAL 40 HG12 VAL 40 3.917 -0.263 6.337 289 HG13 VAL 40 HG13 VAL 40 2.682 -1.319 5.650 290 HG21 VAL 40 HG21 VAL 40 4.322 -3.628 4.353 291 HG22 VAL 40 HG22 VAL 40 5.968 -3.535 4.980 292 HG23 VAL 40 HG23 VAL 40 5.327 -2.225 3.990 293 H VAL 41 HN VAL 41 7.755 -2.390 5.469 294 HA VAL 41 HA VAL 41 8.872 0.240 5.371 295 HB VAL 41 HB VAL 41 9.573 -2.099 3.596 296 HG11 VAL 41 HG11 VAL 41 11.802 -0.988 3.574 297 HG12 VAL 41 HG12 VAL 41 11.080 0.374 4.430 298 HG13 VAL 41 HG13 VAL 41 10.523 -0.044 2.810 299 HG21 VAL 41 HG21 VAL 41 11.482 -2.159 5.472 300 HG22 VAL 41 HG22 VAL 41 9.999 -3.108 5.581 301 HG23 VAL 41 HG23 VAL 41 10.135 -1.582 6.454 302 H LEU 42 HN LEU 42 8.500 1.827 3.962 303 HA LEU 42 HA LEU 42 6.509 1.469 1.909 304 HB2 LEU 42 HB2 LEU 42 8.051 3.807 2.975 305 HB3 LEU 42 HB1 LEU 42 7.147 3.954 1.479 306 HG LEU 42 HG LEU 42 6.022 3.288 4.199 307 HD11 LEU 42 HD11 LEU 42 5.111 5.417 4.232 308 HD12 LEU 42 HD12 LEU 42 5.296 5.634 2.492 309 HD13 LEU 42 HD13 LEU 42 6.711 5.690 3.542 310 HD21 LEU 42 HD21 LEU 42 3.824 3.587 2.893 311 HD22 LEU 42 HD22 LEU 42 4.683 2.053 2.750 312 HD23 LEU 42 HD23 LEU 42 4.801 3.253 1.463 313 H SER 43 HN SER 43 9.979 1.743 2.092 314 HA SER 43 HA SER 43 10.568 2.446 -0.544 315 HB2 SER 43 HB2 SER 43 12.366 2.498 0.984 316 HB3 SER 43 HB1 SER 43 12.071 0.844 1.518 317 HG SER 43 HG SER 43 13.881 1.231 -0.004 318 H THR 44 HN THR 44 9.902 -0.711 0.893 319 HA THR 44 HA THR 44 10.591 -2.314 -1.290 320 HB THR 44 HB THR 44 10.105 -3.175 0.977 321 HG1 THR 44 HG1 THR 44 8.991 -5.022 0.258 322 HG21 THR 44 HG21 THR 44 8.205 -2.832 2.043 323 HG22 THR 44 HG22 THR 44 7.287 -3.542 0.715 324 HG23 THR 44 HG23 THR 44 7.668 -1.820 0.703 325 H ILE 45 HN ILE 45 7.804 -0.316 -0.725 326 HA ILE 45 HA ILE 45 5.999 -1.496 -2.520 327 HB ILE 45 HB ILE 45 6.214 1.447 -1.878 328 HG12 ILE 45 HG12 ILE 45 6.121 0.178 0.191 329 HG13 ILE 45 HG11 ILE 45 4.566 0.956 -0.087 330 HG21 ILE 45 HG21 ILE 45 3.658 1.190 -2.203 331 HG22 ILE 45 HG22 ILE 45 4.086 -0.279 -3.080 332 HG23 ILE 45 HG23 ILE 45 4.700 1.283 -3.624 333 HD11 ILE 45 HD11 ILE 45 5.264 -1.888 0.028 334 HD12 ILE 45 HD12 ILE 45 4.139 -1.439 -1.254 335 HD13 ILE 45 HD13 ILE 45 3.756 -1.066 0.427 336 H ASP 46 HN ASP 46 5.419 -0.925 -4.651 337 HA ASP 46 HA ASP 46 7.532 0.446 -6.181 338 HB2 ASP 46 HB2 ASP 46 7.435 -2.103 -6.425 339 HB3 ASP 46 HB1 ASP 46 5.911 -1.851 -7.270 340 H LYS 47 HN LYS 47 4.138 -0.618 -6.282 341 HA LYS 47 HA LYS 47 3.483 1.907 -7.637 342 HB2 LYS 47 HB2 LYS 47 3.024 0.678 -9.466 343 HB3 LYS 47 HB1 LYS 47 3.070 -0.831 -8.570 344 HG2 LYS 47 HG2 LYS 47 0.908 -0.568 -9.562 345 HG3 LYS 47 HG1 LYS 47 0.754 -0.405 -7.812 346 HD2 LYS 47 HD2 LYS 47 0.051 1.722 -7.959 347 HD3 LYS 47 HD1 LYS 47 1.244 2.126 -9.195 348 HE2 LYS 47 HE2 LYS 47 -1.191 0.478 -9.808 349 HE3 LYS 47 HE1 LYS 47 -1.225 2.241 -9.847 350 HZ1 LYS 47 HZ1 LYS 47 0.062 0.367 -11.667 351 HZ2 LYS 47 HZ2 LYS 47 0.908 1.795 -11.340 352 HZ3 LYS 47 HZ3 LYS 47 -0.654 1.867 -11.984 353 H LEU 48 HN LEU 48 1.810 3.005 -6.791 354 HA LEU 48 HA LEU 48 0.164 1.638 -4.763 355 HB2 LEU 48 HB2 LEU 48 0.021 3.794 -3.578 356 HB3 LEU 48 HB1 LEU 48 1.659 3.174 -3.665 357 HG LEU 48 HG LEU 48 1.730 4.757 -5.814 358 HD11 LEU 48 HD11 LEU 48 0.501 6.901 -4.745 359 HD12 LEU 48 HD12 LEU 48 -0.616 5.625 -4.261 360 HD13 LEU 48 HD13 LEU 48 -0.229 5.857 -5.966 361 HD21 LEU 48 HD21 LEU 48 3.189 5.955 -4.597 362 HD22 LEU 48 HD22 LEU 48 2.861 4.755 -3.347 363 HD23 LEU 48 HD23 LEU 48 2.009 6.299 -3.332 364 H GLN 49 HN GLN 49 -2.004 1.872 -4.882 365 HA GLN 49 HA GLN 49 -3.066 3.735 -6.901 366 HB2 GLN 49 HB2 GLN 49 -3.210 0.886 -6.884 367 HB3 GLN 49 HB1 GLN 49 -4.831 1.514 -6.618 368 HG2 GLN 49 HG2 GLN 49 -3.004 2.082 -8.935 369 HG3 GLN 49 HG1 GLN 49 -4.532 1.202 -8.953 370 HE21 GLN 49 HE21 GLN 49 -6.459 2.333 -8.865 371 HE22 GLN 49 HE22 GLN 49 -6.548 4.037 -9.136 372 H ALA 50 HN ALA 50 -5.405 4.231 -6.575 373 HA ALA 50 HA ALA 50 -6.432 3.873 -3.888 374 HB1 ALA 50 HB1 ALA 50 -5.267 6.418 -4.834 375 HB2 ALA 50 HB2 ALA 50 -5.399 5.765 -3.201 376 HB3 ALA 50 HB3 ALA 50 -6.797 6.524 -3.963 377 H THR 51 HN THR 51 -8.614 4.942 -3.658 378 HA THR 51 HA THR 51 -10.140 4.407 -6.069 379 HB THR 51 HB THR 51 -12.102 4.559 -4.623 380 HG1 THR 51 HG1 THR 51 -11.848 5.948 -3.059 381 HG21 THR 51 HG21 THR 51 -10.089 3.051 -3.006 382 HG22 THR 51 HG22 THR 51 -10.610 2.482 -4.592 383 HG23 THR 51 HG23 THR 51 -11.789 2.682 -3.296 384 HA PRO 52 HA PRO 52 -10.746 8.619 -7.230 385 HB2 PRO 52 HB2 PRO 52 -13.192 8.495 -8.395 386 HB3 PRO 52 HB1 PRO 52 -11.739 7.824 -9.146 387 HG2 PRO 52 HG2 PRO 52 -13.889 6.427 -7.601 388 HG3 PRO 52 HG1 PRO 52 -13.088 5.930 -9.103 389 HD2 PRO 52 HD2 PRO 52 -12.413 4.913 -6.686 390 HD3 PRO 52 HD1 PRO 52 -11.234 5.124 -7.996 391 H ALA 53 HN ALA 53 -12.142 10.498 -6.908 392 HA ALA 53 HA ALA 53 -13.117 10.647 -4.245 393 HB1 ALA 53 HB1 ALA 53 -12.172 12.475 -5.973 394 HB2 ALA 53 HB2 ALA 53 -13.134 12.885 -4.553 395 HB3 ALA 53 HB3 ALA 53 -13.903 12.771 -6.137 396 H SER 54 HN SER 54 -14.622 10.135 -7.353 397 HA SER 54 HA SER 54 -17.283 10.729 -6.603 398 HB2 SER 54 HB2 SER 54 -17.789 9.137 -8.601 399 HB3 SER 54 HB1 SER 54 -16.946 10.654 -8.915 400 HG SER 54 HG SER 54 -15.343 9.524 -9.636 401 H SER 55 HN SER 55 -15.279 7.887 -6.271 402 HA SER 55 HA SER 55 -17.261 5.971 -5.785 403 HB2 SER 55 HB2 SER 55 -14.884 5.418 -6.177 404 HB3 SER 55 HB1 SER 55 -14.476 6.102 -4.604 405 HG SER 55 HG SER 55 -16.107 3.844 -5.133 406 H GLU 56 HN GLU 56 -18.607 5.643 -4.139 407 HA GLU 56 HA GLU 56 -18.897 7.465 -2.034 408 HB2 GLU 56 HB2 GLU 56 -20.026 4.776 -2.664 409 HB3 GLU 56 HB1 GLU 56 -20.257 5.416 -1.043 410 HG2 GLU 56 HG2 GLU 56 -20.966 7.548 -2.574 411 HG3 GLU 56 HG1 GLU 56 -21.497 6.196 -3.574 412 H LYS 57 HN LYS 57 -17.066 4.502 -2.291 413 HA LYS 57 HA LYS 57 -16.315 4.709 0.543 414 HB2 LYS 57 HB2 LYS 57 -15.341 2.382 0.111 415 HB3 LYS 57 HB1 LYS 57 -17.093 2.528 0.137 416 HG2 LYS 57 HG2 LYS 57 -15.808 2.828 -2.499 417 HG3 LYS 57 HG1 LYS 57 -15.737 1.223 -1.769 418 HD2 LYS 57 HD2 LYS 57 -18.330 1.875 -1.325 419 HD3 LYS 57 HD1 LYS 57 -18.032 2.715 -2.848 420 HE2 LYS 57 HE2 LYS 57 -17.121 0.575 -3.758 421 HE3 LYS 57 HE1 LYS 57 -17.645 -0.218 -2.273 422 HZ1 LYS 57 HZ1 LYS 57 -19.422 -0.590 -3.645 423 HZ2 LYS 57 HZ2 LYS 57 -19.266 0.883 -4.460 424 HZ3 LYS 57 HZ3 LYS 57 -19.917 0.846 -2.900 425 H MET 58 HN MET 58 -14.457 5.682 0.964 426 HA MET 58 HA MET 58 -12.460 5.977 -1.135 427 HB2 MET 58 HB2 MET 58 -12.508 7.135 1.658 428 HB3 MET 58 HB1 MET 58 -11.394 7.577 0.371 429 HG2 MET 58 HG2 MET 58 -12.895 9.281 0.222 430 HG3 MET 58 HG1 MET 58 -13.599 8.140 -0.923 431 HE1 MET 58 HE1 MET 58 -14.059 7.565 3.149 432 HE2 MET 58 HE2 MET 58 -15.031 9.026 3.329 433 HE3 MET 58 HE3 MET 58 -13.387 9.133 2.701 434 H MET 59 HN MET 59 -10.845 4.585 -1.329 435 HA MET 59 HA MET 59 -9.572 3.503 1.062 436 HB2 MET 59 HB2 MET 59 -10.356 1.654 -1.185 437 HB3 MET 59 HB1 MET 59 -9.730 1.228 0.402 438 HG2 MET 59 HG2 MET 59 -11.906 2.395 1.249 439 HG3 MET 59 HG1 MET 59 -12.470 2.079 -0.390 440 HE1 MET 59 HE1 MET 59 -11.780 -0.048 -1.500 441 HE2 MET 59 HE2 MET 59 -13.170 -1.024 -1.023 442 HE3 MET 59 HE3 MET 59 -11.534 -1.611 -0.719 443 H LEU 60 HN LEU 60 -7.522 2.346 0.517 444 HA LEU 60 HA LEU 60 -6.332 3.309 -1.992 445 HB2 LEU 60 HB2 LEU 60 -5.781 4.649 0.177 446 HB3 LEU 60 HB1 LEU 60 -4.746 3.283 0.548 447 HG LEU 60 HG LEU 60 -4.384 4.413 -2.149 448 HD11 LEU 60 HD11 LEU 60 -4.680 6.506 -1.116 449 HD12 LEU 60 HD12 LEU 60 -2.936 6.250 -1.173 450 HD13 LEU 60 HD13 LEU 60 -3.815 6.002 0.336 451 HD21 LEU 60 HD21 LEU 60 -2.805 3.150 0.001 452 HD22 LEU 60 HD22 LEU 60 -1.957 4.321 -1.009 453 HD23 LEU 60 HD23 LEU 60 -2.736 2.921 -1.746 454 H ARG 61 HN ARG 61 -4.360 2.142 -2.610 455 HA ARG 61 HA ARG 61 -4.026 -0.478 -1.360 456 HB2 ARG 61 HB2 ARG 61 -5.606 -0.229 -3.587 457 HB3 ARG 61 HB1 ARG 61 -4.042 -0.608 -4.294 458 HG2 ARG 61 HG2 ARG 61 -4.755 -2.302 -2.023 459 HG3 ARG 61 HG1 ARG 61 -5.854 -2.433 -3.396 460 HD2 ARG 61 HD2 ARG 61 -3.948 -2.872 -4.871 461 HD3 ARG 61 HD1 ARG 61 -2.855 -2.746 -3.494 462 HE ARG 61 HE ARG 61 -3.413 -4.881 -2.914 463 HH11 ARG 61 HH11 ARG 61 -5.851 -3.652 -5.087 464 HH12 ARG 61 HH12 ARG 61 -6.673 -5.170 -5.223 465 HH21 ARG 61 HH21 ARG 61 -4.493 -6.879 -3.091 466 HH22 ARG 61 HH22 ARG 61 -5.903 -7.002 -4.089 467 H LEU 62 HN LEU 62 -1.993 -1.337 -1.549 468 HA LEU 62 HA LEU 62 -0.021 0.258 -3.047 469 HB2 LEU 62 HB2 LEU 62 0.420 -1.085 -0.379 470 HB3 LEU 62 HB1 LEU 62 1.596 -0.140 -1.273 471 HG LEU 62 HG LEU 62 -0.980 1.122 -0.415 472 HD11 LEU 62 HD11 LEU 62 0.322 -0.106 1.491 473 HD12 LEU 62 HD12 LEU 62 -0.275 1.536 1.730 474 HD13 LEU 62 HD13 LEU 62 1.424 1.263 1.342 475 HD21 LEU 62 HD21 LEU 62 1.653 1.964 -1.428 476 HD22 LEU 62 HD22 LEU 62 0.972 2.962 -0.143 477 HD23 LEU 62 HD23 LEU 62 0.065 2.703 -1.633 478 H ILE 63 HN ILE 63 1.573 -0.854 -4.127 479 HA ILE 63 HA ILE 63 1.310 -3.791 -4.132 480 HB ILE 63 HB ILE 63 2.335 -2.209 -6.474 481 HG12 ILE 63 HG12 ILE 63 0.068 -1.393 -5.971 482 HG13 ILE 63 HG11 ILE 63 0.095 -2.328 -7.463 483 HG21 ILE 63 HG21 ILE 63 2.882 -4.383 -6.884 484 HG22 ILE 63 HG22 ILE 63 1.248 -4.367 -7.547 485 HG23 ILE 63 HG23 ILE 63 1.538 -5.017 -5.933 486 HD11 ILE 63 HD11 ILE 63 -0.883 -4.215 -6.361 487 HD12 ILE 63 HD12 ILE 63 -1.860 -2.785 -6.024 488 HD13 ILE 63 HD13 ILE 63 -0.763 -3.414 -4.794 489 H GLY 64 HN GLY 64 2.987 -4.665 -3.104 490 HA2 GLY 64 HA2 GLY 64 5.423 -3.406 -2.558 491 HA3 GLY 64 HA1 GLY 64 5.144 -5.139 -2.480 492 H LYS 65 HN LYS 65 7.522 -4.869 -3.178 493 HA LYS 65 HA LYS 65 7.733 -4.551 -6.086 494 HB2 LYS 65 HB2 LYS 65 9.620 -4.271 -3.814 495 HB3 LYS 65 HB1 LYS 65 10.287 -4.892 -5.318 496 HG2 LYS 65 HG2 LYS 65 9.462 -2.917 -6.499 497 HG3 LYS 65 HG1 LYS 65 8.803 -2.293 -4.985 498 HD2 LYS 65 HD2 LYS 65 10.925 -1.933 -4.073 499 HD3 LYS 65 HD1 LYS 65 11.706 -3.004 -5.238 500 HE2 LYS 65 HE2 LYS 65 10.287 -0.688 -6.380 501 HE3 LYS 65 HE1 LYS 65 11.712 -0.308 -5.415 502 HZ1 LYS 65 HZ1 LYS 65 11.517 -1.769 -7.946 503 HZ2 LYS 65 HZ2 LYS 65 12.747 -2.203 -6.870 504 HZ3 LYS 65 HZ3 LYS 65 12.653 -0.617 -7.451 505 H VAL 66 HN VAL 66 8.196 -6.215 -7.412 506 HA VAL 66 HA VAL 66 8.447 -8.872 -6.179 507 HB VAL 66 HB VAL 66 7.832 -9.680 -8.520 508 HG11 VAL 66 HG11 VAL 66 5.360 -8.660 -8.058 509 HG12 VAL 66 HG12 VAL 66 6.124 -8.433 -6.485 510 HG13 VAL 66 HG13 VAL 66 6.047 -10.041 -7.204 511 HG21 VAL 66 HG21 VAL 66 8.291 -7.213 -9.359 512 HG22 VAL 66 HG22 VAL 66 6.581 -7.022 -8.970 513 HG23 VAL 66 HG23 VAL 66 7.090 -8.245 -10.134 514 H ASP 67 HN ASP 67 9.992 -10.350 -6.912 515 HA ASP 67 HA ASP 67 12.036 -11.036 -7.633 516 HB2 ASP 67 HB2 ASP 67 11.553 -8.951 -9.772 517 HB3 ASP 67 HB1 ASP 67 12.840 -10.152 -9.814 518 H GLU 68 HN GLU 68 13.185 -10.355 -5.832 519 HA GLU 68 HA GLU 68 14.811 -7.944 -6.260 520 HB2 GLU 68 HB2 GLU 68 13.463 -8.782 -3.690 521 HB3 GLU 68 HB1 GLU 68 14.723 -7.559 -3.777 522 HG2 GLU 68 HG2 GLU 68 13.365 -6.031 -4.804 523 HG3 GLU 68 HG1 GLU 68 12.324 -7.266 -5.511 524 H SER 69 HN SER 69 14.654 -10.383 -3.678 525 HA SER 69 HA SER 69 17.465 -11.044 -4.262 526 HB2 SER 69 HB2 SER 69 16.533 -10.018 -1.936 527 HB3 SER 69 HB1 SER 69 16.359 -11.741 -1.605 528 HG SER 69 HG SER 69 18.621 -11.882 -2.358 529 H LYS 70 HN LYS 70 15.119 -12.242 -5.504 530 HA LYS 70 HA LYS 70 15.813 -15.002 -5.076 531 HB2 LYS 70 HB2 LYS 70 13.105 -13.939 -4.299 532 HB3 LYS 70 HB1 LYS 70 13.343 -15.622 -4.750 533 HG2 LYS 70 HG2 LYS 70 15.282 -15.388 -2.922 534 HG3 LYS 70 HG1 LYS 70 14.154 -14.178 -2.308 535 HD2 LYS 70 HD2 LYS 70 12.844 -16.660 -3.095 536 HD3 LYS 70 HD1 LYS 70 14.048 -16.891 -1.826 537 HE2 LYS 70 HE2 LYS 70 12.920 -15.561 -0.326 538 HE3 LYS 70 HE1 LYS 70 12.108 -14.640 -1.591 539 HZ1 LYS 70 HZ1 LYS 70 10.432 -15.951 -0.730 540 HZ2 LYS 70 HZ2 LYS 70 11.430 -17.300 -0.519 541 HZ3 LYS 70 HZ3 LYS 70 10.928 -16.855 -2.072 542 H LYS 71 HN LYS 71 13.501 -12.755 -6.551 543 HA LYS 71 HA LYS 71 12.456 -12.749 -8.581 544 HB2 LYS 71 HB2 LYS 71 13.947 -12.754 -10.452 545 HB3 LYS 71 HB1 LYS 71 14.802 -12.048 -9.089 546 HG2 LYS 71 HG2 LYS 71 15.139 -14.957 -9.535 547 HG3 LYS 71 HG1 LYS 71 15.895 -13.861 -10.690 548 HD2 LYS 71 HD2 LYS 71 16.290 -13.099 -7.891 549 HD3 LYS 71 HD1 LYS 71 16.996 -14.659 -8.318 550 HE2 LYS 71 HE2 LYS 71 18.188 -13.614 -10.177 551 HE3 LYS 71 HE1 LYS 71 17.470 -12.056 -9.768 552 HZ1 LYS 71 HZ1 LYS 71 19.834 -12.665 -8.928 553 HZ2 LYS 71 HZ2 LYS 71 19.000 -13.513 -7.726 554 HZ3 LYS 71 HZ3 LYS 71 18.763 -11.848 -7.904 555 H ARG 72 HN ARG 72 12.711 -14.226 -10.888 556 HA ARG 72 HA ARG 72 11.410 -16.688 -10.085 557 HB2 ARG 72 HB2 ARG 72 11.909 -15.579 -12.852 558 HB3 ARG 72 HB1 ARG 72 10.864 -16.935 -12.453 559 HG2 ARG 72 HG2 ARG 72 10.257 -14.444 -11.024 560 HG3 ARG 72 HG1 ARG 72 10.020 -14.387 -12.772 561 HD2 ARG 72 HD2 ARG 72 8.762 -16.616 -12.445 562 HD3 ARG 72 HD1 ARG 72 8.700 -16.156 -10.744 563 HE ARG 72 HE ARG 72 7.795 -14.010 -12.318 564 HH11 ARG 72 HH11 ARG 72 6.817 -17.207 -11.317 565 HH12 ARG 72 HH12 ARG 72 5.124 -16.861 -11.434 566 HH21 ARG 72 HH21 ARG 72 5.569 -13.554 -12.473 567 HH22 ARG 72 HH22 ARG 72 4.415 -14.788 -12.091 568 H LYS 73 HN LYS 73 12.796 -18.233 -9.463 569 HA LYS 73 HA LYS 73 14.362 -19.870 -9.587 570 HB2 LYS 73 HB2 LYS 73 14.658 -19.236 -12.519 571 HB3 LYS 73 HB1 LYS 73 14.938 -20.771 -11.706 572 HG2 LYS 73 HG2 LYS 73 12.347 -20.424 -11.117 573 HG3 LYS 73 HG1 LYS 73 12.425 -19.551 -12.649 574 HD2 LYS 73 HD2 LYS 73 13.449 -21.540 -13.694 575 HD3 LYS 73 HD1 LYS 73 13.278 -22.405 -12.165 576 HE2 LYS 73 HE2 LYS 73 10.761 -21.633 -12.431 577 HE3 LYS 73 HE1 LYS 73 11.207 -21.587 -14.136 578 HZ1 LYS 73 HZ1 LYS 73 10.444 -23.732 -13.844 579 HZ2 LYS 73 HZ2 LYS 73 11.132 -23.897 -12.308 580 HZ3 LYS 73 HZ3 LYS 73 12.116 -23.932 -13.682 581 H ASP 74 HN ASP 74 16.433 -19.863 -8.982 582 HA ASP 74 HA ASP 74 18.029 -17.490 -9.597 583 HB2 ASP 74 HB2 ASP 74 17.576 -18.659 -7.216 584 HB3 ASP 74 HB1 ASP 74 19.038 -19.521 -7.685 585 H ASN 75 HN ASN 75 17.646 -19.612 -11.559 586 HA ASN 75 HA ASN 75 18.841 -20.801 -13.085 587 HB2 ASN 75 HB2 ASN 75 20.801 -18.840 -12.011 588 HB3 ASN 75 HB1 ASN 75 21.440 -20.170 -12.972 589 HD21 ASN 75 HD21 ASN 75 19.152 -17.502 -12.981 590 HD22 ASN 75 HD22 ASN 75 19.147 -17.271 -14.693 591 H GLU 76 HN GLU 76 18.827 -22.911 -12.618 592 HA GLU 76 HA GLU 76 19.455 -24.945 -11.817 593 HB2 GLU 76 HB2 GLU 76 21.980 -23.376 -11.822 594 HB3 GLU 76 HB1 GLU 76 21.982 -24.897 -10.940 595 HG2 GLU 76 HG2 GLU 76 20.953 -25.845 -13.139 596 HG3 GLU 76 HG1 GLU 76 21.657 -24.399 -13.859 597 H GLY 77 HN GLY 77 18.054 -25.027 -10.067 598 HA2 GLY 77 HA2 GLY 77 18.806 -25.698 -7.622 599 HA3 GLY 77 HA1 GLY 77 18.958 -23.952 -7.506 600 H ASN 78 HN ASN 78 16.591 -23.828 -9.474 601 HA ASN 78 HA ASN 78 14.332 -23.594 -9.374 602 HB2 ASN 78 HB2 ASN 78 14.357 -25.582 -7.101 603 HB3 ASN 78 HB1 ASN 78 13.024 -25.209 -8.189 604 HD21 ASN 78 HD21 ASN 78 14.057 -25.317 -10.627 605 HD22 ASN 78 HD22 ASN 78 14.710 -26.880 -10.969 606 H GLU 79 HN GLU 79 13.971 -21.568 -8.704 607 HA GLU 79 HA GLU 79 13.236 -21.142 -5.951 608 HB2 GLU 79 HB2 GLU 79 15.668 -19.841 -7.150 609 HB3 GLU 79 HB1 GLU 79 14.768 -19.068 -5.853 610 HG2 GLU 79 HG2 GLU 79 16.168 -21.728 -5.763 611 HG3 GLU 79 HG1 GLU 79 16.617 -20.250 -4.912 612 H VAL 80 HN VAL 80 11.308 -20.973 -7.444 613 HA VAL 80 HA VAL 80 10.996 -18.771 -9.180 614 HB VAL 80 HB VAL 80 8.579 -19.208 -9.022 615 HG11 VAL 80 HG11 VAL 80 10.615 -21.147 -9.740 616 HG12 VAL 80 HG12 VAL 80 9.153 -20.671 -10.604 617 HG13 VAL 80 HG13 VAL 80 9.073 -21.911 -9.352 618 HG21 VAL 80 HG21 VAL 80 8.041 -21.356 -7.625 619 HG22 VAL 80 HG22 VAL 80 8.069 -19.772 -6.849 620 HG23 VAL 80 HG23 VAL 80 9.452 -20.855 -6.692 621 H VAL 81 HN VAL 81 9.771 -16.845 -8.892 622 HA VAL 81 HA VAL 81 10.403 -15.343 -6.651 623 HB VAL 81 HB VAL 81 9.726 -14.343 -8.786 624 HG11 VAL 81 HG11 VAL 81 7.744 -16.066 -8.937 625 HG12 VAL 81 HG12 VAL 81 7.637 -14.485 -9.711 626 HG13 VAL 81 HG13 VAL 81 6.847 -14.762 -8.159 627 HG21 VAL 81 HG21 VAL 81 8.209 -12.573 -7.848 628 HG22 VAL 81 HG22 VAL 81 9.667 -12.887 -6.906 629 HG23 VAL 81 HG23 VAL 81 8.116 -13.535 -6.373 630 HA PRO 82 HA PRO 82 7.417 -16.787 -3.683 631 HB2 PRO 82 HB2 PRO 82 7.828 -14.975 -1.747 632 HB3 PRO 82 HB1 PRO 82 9.038 -16.202 -2.142 633 HG2 PRO 82 HG2 PRO 82 8.927 -13.322 -2.950 634 HG3 PRO 82 HG1 PRO 82 10.316 -14.275 -2.399 635 HD2 PRO 82 HD2 PRO 82 9.788 -13.737 -5.031 636 HD3 PRO 82 HD1 PRO 82 10.684 -15.165 -4.478 637 H LYS 83 HN LYS 83 6.077 -15.600 -5.693 638 HA LYS 83 HA LYS 83 4.252 -14.395 -6.286 639 HB2 LYS 83 HB2 LYS 83 2.424 -14.426 -4.768 640 HB3 LYS 83 HB1 LYS 83 3.353 -15.886 -4.473 641 HG2 LYS 83 HG2 LYS 83 4.127 -15.136 -2.426 642 HG3 LYS 83 HG1 LYS 83 3.823 -13.442 -2.816 643 HD2 LYS 83 HD2 LYS 83 2.069 -13.853 -1.402 644 HD3 LYS 83 HD1 LYS 83 1.326 -14.271 -2.947 645 HE2 LYS 83 HE2 LYS 83 2.504 -16.160 -0.915 646 HE3 LYS 83 HE1 LYS 83 0.804 -15.986 -1.348 647 HZ1 LYS 83 HZ1 LYS 83 2.990 -17.221 -2.885 648 HZ2 LYS 83 HZ2 LYS 83 1.643 -16.599 -3.696 649 HZ3 LYS 83 HZ3 LYS 83 1.445 -17.825 -2.549 650 HA PRO 84 HA PRO 84 4.917 -10.104 -5.559 651 HB2 PRO 84 HB2 PRO 84 2.586 -9.021 -6.348 652 HB3 PRO 84 HB1 PRO 84 3.686 -9.801 -7.491 653 HG2 PRO 84 HG2 PRO 84 1.198 -10.875 -6.220 654 HG3 PRO 84 HG1 PRO 84 1.752 -11.025 -7.898 655 HD2 PRO 84 HD2 PRO 84 2.051 -12.990 -6.017 656 HD3 PRO 84 HD1 PRO 84 3.129 -12.791 -7.412 657 H GLN 85 HN GLN 85 3.348 -8.096 -4.755 658 HA GLN 85 HA GLN 85 2.055 -8.895 -2.253 659 HB2 GLN 85 HB2 GLN 85 4.362 -6.975 -2.512 660 HB3 GLN 85 HB1 GLN 85 3.266 -6.938 -1.138 661 HG2 GLN 85 HG2 GLN 85 3.945 -9.571 -1.226 662 HG3 GLN 85 HG1 GLN 85 5.430 -8.796 -1.775 663 HE21 GLN 85 HE21 GLN 85 4.939 -10.238 0.685 664 HE22 GLN 85 HE22 GLN 85 5.266 -9.136 1.975 665 H ARG 86 HN ARG 86 0.222 -7.815 -1.887 666 HA ARG 86 HA ARG 86 -0.151 -5.129 -2.927 667 HB2 ARG 86 HB2 ARG 86 -2.165 -7.256 -3.635 668 HB3 ARG 86 HB1 ARG 86 -2.087 -5.600 -4.223 669 HG2 ARG 86 HG2 ARG 86 -0.072 -6.106 -5.469 670 HG3 ARG 86 HG1 ARG 86 -0.069 -7.752 -4.831 671 HD2 ARG 86 HD2 ARG 86 -1.943 -8.365 -6.067 672 HD3 ARG 86 HD1 ARG 86 -2.443 -6.693 -6.318 673 HE ARG 86 HE ARG 86 0.016 -7.007 -7.568 674 HH11 ARG 86 HH11 ARG 86 -3.221 -8.278 -7.867 675 HH12 ARG 86 HH12 ARG 86 -3.089 -8.555 -9.571 676 HH21 ARG 86 HH21 ARG 86 0.191 -7.370 -9.810 677 HH22 ARG 86 HH22 ARG 86 -1.152 -8.040 -10.674 678 H HIS 87 HN HIS 87 -0.959 -4.000 -1.292 679 HA HIS 87 HA HIS 87 -2.855 -5.330 0.533 680 HB2 HIS 87 HB2 HIS 87 -0.755 -3.246 1.154 681 HB3 HIS 87 HB1 HIS 87 -2.011 -3.739 2.285 682 HD1 HIS 87 HD1 HIS 87 -1.988 -6.583 2.531 683 HD2 HIS 87 HD2 HIS 87 1.536 -4.570 1.638 684 HE1 HIS 87 HE1 HIS 87 -0.134 -8.154 3.177 685 HE2 HIS 87 HE2 HIS 87 1.987 -6.951 2.544 686 H MET 88 HN MET 88 -4.710 -4.264 1.073 687 HA MET 88 HA MET 88 -5.143 -1.641 -0.200 688 HB2 MET 88 HB2 MET 88 -7.586 -2.388 -0.313 689 HB3 MET 88 HB1 MET 88 -6.468 -3.135 -1.446 690 HG2 MET 88 HG2 MET 88 -6.674 -5.176 -0.521 691 HG3 MET 88 HG1 MET 88 -6.833 -4.540 1.115 692 HE1 MET 88 HE1 MET 88 -10.155 -2.666 0.355 693 HE2 MET 88 HE2 MET 88 -8.681 -2.712 1.323 694 HE3 MET 88 HE3 MET 88 -10.092 -3.646 1.820 695 H PHE 89 HN PHE 89 -5.567 -0.057 1.174 696 HA PHE 89 HA PHE 89 -6.588 -0.749 3.847 697 HB2 PHE 89 HB2 PHE 89 -4.942 1.625 2.949 698 HB3 PHE 89 HB1 PHE 89 -5.588 1.416 4.574 699 HD1 PHE 89 HD1 PHE 89 -3.479 -0.365 2.070 700 HD2 PHE 89 HD2 PHE 89 -4.263 0.433 6.176 701 HE1 PHE 89 HE1 PHE 89 -1.473 -1.643 2.697 702 HE2 PHE 89 HE2 PHE 89 -2.257 -0.844 6.810 703 HZ PHE 89 HZ PHE 89 -0.859 -1.883 5.070 704 H SER 90 HN SER 90 -7.937 0.964 4.882 705 HA SER 90 HA SER 90 -9.782 2.100 2.891 706 HB2 SER 90 HB2 SER 90 -10.171 0.807 5.529 707 HB3 SER 90 HB1 SER 90 -11.213 2.188 5.184 708 HG SER 90 HG SER 90 -12.321 0.608 4.263 709 H PHE 91 HN PHE 91 -10.783 4.158 3.386 710 HA PHE 91 HA PHE 91 -9.421 5.826 5.352 711 HB2 PHE 91 HB2 PHE 91 -9.294 6.215 2.383 712 HB3 PHE 91 HB1 PHE 91 -9.287 7.620 3.443 713 HD1 PHE 91 HD1 PHE 91 -7.443 4.636 2.391 714 HD2 PHE 91 HD2 PHE 91 -7.394 8.121 4.833 715 HE1 PHE 91 HE1 PHE 91 -5.023 4.355 2.737 716 HE2 PHE 91 HE2 PHE 91 -4.974 7.847 5.183 717 HZ PHE 91 HZ PHE 91 -3.786 5.962 4.134 718 H ASN 92 HN ASN 92 -10.598 7.644 5.995 719 HA ASN 92 HA ASN 92 -13.405 7.642 5.106 720 HB2 ASN 92 HB2 ASN 92 -12.528 7.234 7.621 721 HB3 ASN 92 HB1 ASN 92 -12.671 8.990 7.643 722 HD21 ASN 92 HD21 ASN 92 -14.299 6.049 7.886 723 HD22 ASN 92 HD22 ASN 92 -15.914 6.660 7.906 724 H ASN 93 HN ASN 93 -10.582 9.619 5.684 725 HA ASN 93 HA ASN 93 -12.032 12.051 4.972 726 HB2 ASN 93 HB2 ASN 93 -10.068 11.650 6.796 727 HB3 ASN 93 HB1 ASN 93 -9.110 12.173 5.414 728 HD21 ASN 93 HD21 ASN 93 -11.140 13.122 7.954 729 HD22 ASN 93 HD22 ASN 93 -11.246 14.801 7.563 730 H ARG 94 HN ARG 94 -11.567 13.297 3.171 731 HA ARG 94 HA ARG 94 -10.501 11.835 0.919 732 HB2 ARG 94 HB2 ARG 94 -12.537 13.550 1.084 733 HB3 ARG 94 HB1 ARG 94 -11.270 14.702 0.686 734 HG2 ARG 94 HG2 ARG 94 -11.372 12.278 -0.985 735 HG3 ARG 94 HG1 ARG 94 -12.731 13.392 -1.144 736 HD2 ARG 94 HD2 ARG 94 -10.487 15.030 -1.132 737 HD3 ARG 94 HD1 ARG 94 -10.009 13.638 -2.103 738 HE ARG 94 HE ARG 94 -11.471 14.311 -3.733 739 HH11 ARG 94 HH11 ARG 94 -12.183 16.040 -0.786 740 HH12 ARG 94 HH12 ARG 94 -13.310 17.115 -1.541 741 HH21 ARG 94 HH21 ARG 94 -12.953 15.725 -4.729 742 HH22 ARG 94 HH22 ARG 94 -13.748 16.936 -3.780 743 H THR 95 HN THR 95 -9.763 14.917 2.544 744 HA THR 95 HA THR 95 -7.505 15.571 1.024 745 HB THR 95 HB THR 95 -8.058 16.265 3.915 746 HG1 THR 95 HG1 THR 95 -9.638 17.345 3.086 747 HG21 THR 95 HG21 THR 95 -5.812 16.871 3.398 748 HG22 THR 95 HG22 THR 95 -6.798 18.333 3.388 749 HG23 THR 95 HG23 THR 95 -6.306 17.591 1.866 750 H VAL 96 HN VAL 96 -7.759 13.846 4.122 751 HA VAL 96 HA VAL 96 -5.022 13.448 4.544 752 HB VAL 96 HB VAL 96 -7.213 11.546 5.376 753 HG11 VAL 96 HG11 VAL 96 -5.310 10.464 6.005 754 HG12 VAL 96 HG12 VAL 96 -5.511 11.513 7.409 755 HG13 VAL 96 HG13 VAL 96 -4.374 11.953 6.136 756 HG21 VAL 96 HG21 VAL 96 -7.958 13.663 6.102 757 HG22 VAL 96 HG22 VAL 96 -6.333 14.160 6.573 758 HG23 VAL 96 HG23 VAL 96 -7.183 12.927 7.504 759 H MET 97 HN MET 97 -7.399 11.503 2.787 760 HA MET 97 HA MET 97 -5.783 9.275 2.272 761 HB2 MET 97 HB2 MET 97 -8.297 9.551 1.888 762 HB3 MET 97 HB1 MET 97 -7.869 10.323 0.367 763 HG2 MET 97 HG2 MET 97 -6.742 7.642 1.000 764 HG3 MET 97 HG1 MET 97 -8.419 7.773 0.472 765 HE1 MET 97 HE1 MET 97 -8.591 7.467 -2.691 766 HE2 MET 97 HE2 MET 97 -8.498 9.225 -2.795 767 HE3 MET 97 HE3 MET 97 -9.272 8.463 -1.405 768 H ASP 98 HN ASP 98 -5.999 12.395 0.702 769 HA ASP 98 HA ASP 98 -4.460 11.648 -1.595 770 HB2 ASP 98 HB2 ASP 98 -6.118 13.715 -1.092 771 HB3 ASP 98 HB1 ASP 98 -4.570 14.498 -0.787 772 H ASN 99 HN ASN 99 -3.770 12.953 1.573 773 HA ASN 99 HA ASN 99 -1.147 13.862 1.076 774 HB2 ASN 99 HB2 ASN 99 -2.731 13.161 3.502 775 HB3 ASN 99 HB1 ASN 99 -0.984 13.294 3.672 776 HD21 ASN 99 HD21 ASN 99 -0.458 15.187 4.464 777 HD22 ASN 99 HD22 ASN 99 -1.166 16.705 4.042 778 H ILE 100 HN ILE 100 -2.433 10.730 2.076 779 HA ILE 100 HA ILE 100 0.082 9.505 2.553 780 HB ILE 100 HB ILE 100 -2.496 8.131 1.792 781 HG12 ILE 100 HG12 ILE 100 -2.800 9.667 3.710 782 HG13 ILE 100 HG11 ILE 100 -2.965 7.977 4.178 783 HG21 ILE 100 HG21 ILE 100 0.141 7.226 2.756 784 HG22 ILE 100 HG22 ILE 100 -1.049 6.397 1.753 785 HG23 ILE 100 HG23 ILE 100 -1.265 6.466 3.502 786 HD11 ILE 100 HD11 ILE 100 -1.370 9.895 5.377 787 HD12 ILE 100 HD12 ILE 100 -0.244 8.885 4.471 788 HD13 ILE 100 HD13 ILE 100 -1.327 8.154 5.656 789 H LYS 101 HN LYS 101 -2.195 9.205 -0.179 790 HA LYS 101 HA LYS 101 -0.583 7.601 -1.795 791 HB2 LYS 101 HB2 LYS 101 -2.968 7.976 -2.223 792 HB3 LYS 101 HB1 LYS 101 -2.638 9.654 -2.633 793 HG2 LYS 101 HG2 LYS 101 -0.956 8.283 -4.311 794 HG3 LYS 101 HG1 LYS 101 -2.382 7.246 -4.248 795 HD2 LYS 101 HD2 LYS 101 -2.725 10.185 -4.646 796 HD3 LYS 101 HD1 LYS 101 -2.220 9.181 -6.007 797 HE2 LYS 101 HE2 LYS 101 -4.510 8.207 -4.408 798 HE3 LYS 101 HE1 LYS 101 -4.787 9.642 -5.395 799 HZ1 LYS 101 HZ1 LYS 101 -3.985 6.937 -6.279 800 HZ2 LYS 101 HZ2 LYS 101 -3.774 8.291 -7.270 801 HZ3 LYS 101 HZ3 LYS 101 -5.326 7.848 -6.763 802 H MET 102 HN MET 102 -0.929 11.142 -1.763 803 HA MET 102 HA MET 102 0.873 11.696 -3.829 804 HB2 MET 102 HB2 MET 102 -0.690 13.355 -2.908 805 HB3 MET 102 HB1 MET 102 0.219 13.380 -1.404 806 HG2 MET 102 HG2 MET 102 1.849 14.680 -2.249 807 HG3 MET 102 HG1 MET 102 1.766 13.936 -3.845 808 HE1 MET 102 HE1 MET 102 -1.156 15.210 -1.798 809 HE2 MET 102 HE2 MET 102 -1.594 16.760 -2.516 810 HE3 MET 102 HE3 MET 102 -0.178 16.641 -1.472 811 H THR 103 HN THR 103 1.420 11.682 -0.308 812 HA THR 103 HA THR 103 4.167 12.239 -0.410 813 HB THR 103 HB THR 103 2.622 10.689 1.679 814 HG1 THR 103 HG1 THR 103 1.885 12.549 2.252 815 HG21 THR 103 HG21 THR 103 4.388 10.676 3.030 816 HG22 THR 103 HG22 THR 103 4.877 12.305 2.560 817 HG23 THR 103 HG23 THR 103 5.338 10.924 1.565 818 H LEU 104 HN LEU 104 2.402 9.177 -0.455 819 HA LEU 104 HA LEU 104 4.591 7.447 -0.223 820 HB2 LEU 104 HB2 LEU 104 1.873 7.171 -1.465 821 HB3 LEU 104 HB1 LEU 104 3.040 5.866 -1.564 822 HG LEU 104 HG LEU 104 2.274 7.053 1.086 823 HD11 LEU 104 HD11 LEU 104 0.174 6.432 0.172 824 HD12 LEU 104 HD12 LEU 104 0.662 5.138 1.265 825 HD13 LEU 104 HD13 LEU 104 0.828 4.929 -0.478 826 HD21 LEU 104 HD21 LEU 104 3.387 5.313 1.994 827 HD22 LEU 104 HD22 LEU 104 4.232 5.325 0.446 828 HD23 LEU 104 HD23 LEU 104 2.904 4.196 0.717 829 H GLN 105 HN GLN 105 3.030 8.807 -3.108 830 HA GLN 105 HA GLN 105 4.583 7.494 -5.028 831 HB2 GLN 105 HB2 GLN 105 2.942 9.981 -4.983 832 HB3 GLN 105 HB1 GLN 105 4.029 9.738 -6.343 833 HG2 GLN 105 HG2 GLN 105 2.346 7.433 -5.638 834 HG3 GLN 105 HG1 GLN 105 1.492 8.848 -6.253 835 HE21 GLN 105 HE21 GLN 105 1.297 8.993 -8.366 836 HE22 GLN 105 HE22 GLN 105 2.284 8.195 -9.538 837 H GLN 106 HN GLN 106 5.242 10.301 -3.062 838 HA GLN 106 HA GLN 106 7.520 11.163 -4.576 839 HB2 GLN 106 HB2 GLN 106 6.417 11.887 -1.871 840 HB3 GLN 106 HB1 GLN 106 7.951 12.529 -2.441 841 HG2 GLN 106 HG2 GLN 106 5.744 12.805 -4.343 842 HG3 GLN 106 HG1 GLN 106 5.528 13.688 -2.832 843 HE21 GLN 106 HE21 GLN 106 6.154 14.456 -5.698 844 HE22 GLN 106 HE22 GLN 106 7.506 15.523 -5.558 845 H ILE 107 HN ILE 107 7.015 9.300 -1.609 846 HA ILE 107 HA ILE 107 9.715 9.034 -0.879 847 HB ILE 107 HB ILE 107 7.509 7.039 -0.354 848 HG12 ILE 107 HG12 ILE 107 8.271 9.043 1.694 849 HG13 ILE 107 HG11 ILE 107 7.357 9.651 0.317 850 HG21 ILE 107 HG21 ILE 107 9.572 6.059 0.221 851 HG22 ILE 107 HG22 ILE 107 8.895 6.658 1.736 852 HG23 ILE 107 HG23 ILE 107 10.178 7.558 0.926 853 HD11 ILE 107 HD11 ILE 107 6.082 7.291 1.181 854 HD12 ILE 107 HD12 ILE 107 5.499 8.952 1.281 855 HD13 ILE 107 HD13 ILE 107 6.425 8.262 2.613 856 H ILE 108 HN ILE 108 7.648 7.093 -2.987 857 HA ILE 108 HA ILE 108 9.579 5.036 -3.416 858 HB ILE 108 HB ILE 108 7.237 5.739 -5.186 859 HG12 ILE 108 HG12 ILE 108 7.182 3.638 -3.039 860 HG13 ILE 108 HG11 ILE 108 6.806 5.314 -2.651 861 HG21 ILE 108 HG21 ILE 108 7.453 3.091 -5.371 862 HG22 ILE 108 HG22 ILE 108 9.139 3.475 -5.023 863 HG23 ILE 108 HG23 ILE 108 8.343 4.191 -6.424 864 HD11 ILE 108 HD11 ILE 108 5.354 3.495 -4.548 865 HD12 ILE 108 HD12 ILE 108 5.060 5.231 -4.445 866 HD13 ILE 108 HD13 ILE 108 4.758 4.200 -3.046 867 H SER 109 HN SER 109 8.702 8.010 -5.083 868 HA SER 109 HA SER 109 10.251 7.552 -7.412 869 HB2 SER 109 HB2 SER 109 8.362 9.320 -6.905 870 HB3 SER 109 HB1 SER 109 9.726 10.324 -6.414 871 HG SER 109 HG SER 109 8.859 9.846 -8.864 872 H ARG 110 HN ARG 110 10.965 8.876 -4.257 873 HA ARG 110 HA ARG 110 13.472 10.035 -4.952 874 HB2 ARG 110 HB2 ARG 110 12.193 9.264 -2.338 875 HB3 ARG 110 HB1 ARG 110 13.832 9.897 -2.410 876 HG2 ARG 110 HG2 ARG 110 11.323 11.291 -3.317 877 HG3 ARG 110 HG1 ARG 110 12.295 11.673 -1.894 878 HD2 ARG 110 HD2 ARG 110 13.250 13.189 -3.254 879 HD3 ARG 110 HD1 ARG 110 14.173 11.805 -3.835 880 HE ARG 110 HE ARG 110 11.976 11.776 -5.407 881 HH11 ARG 110 HH11 ARG 110 14.282 14.264 -4.588 882 HH12 ARG 110 HH12 ARG 110 14.116 15.090 -6.101 883 HH21 ARG 110 HH21 ARG 110 11.757 12.860 -7.397 884 HH22 ARG 110 HH22 ARG 110 12.683 14.293 -7.696 885 H TYR 111 HN TYR 111 12.484 6.915 -3.616 886 HA TYR 111 HA TYR 111 15.254 5.998 -3.589 887 HB2 TYR 111 HB2 TYR 111 12.789 4.447 -2.795 888 HB3 TYR 111 HB1 TYR 111 14.462 4.084 -2.384 889 HD1 TYR 111 HD2 TYR 111 15.401 6.788 -1.560 890 HD2 TYR 111 HD1 TYR 111 11.777 4.729 -0.704 891 HE1 TYR 111 HE2 TYR 111 15.169 8.074 0.523 892 HE2 TYR 111 HE1 TYR 111 11.536 6.010 1.381 893 HH TYR 111 HH TYR 111 13.747 7.439 2.930 894 H LYS 112 HN LYS 112 13.213 6.389 -5.987 895 HA LYS 112 HA LYS 112 13.036 3.795 -7.155 896 HB2 LYS 112 HB2 LYS 112 12.346 6.554 -7.920 897 HB3 LYS 112 HB1 LYS 112 12.768 5.505 -9.266 898 HG2 LYS 112 HG2 LYS 112 10.902 4.341 -7.320 899 HG3 LYS 112 HG1 LYS 112 10.290 5.731 -8.219 900 HD2 LYS 112 HD2 LYS 112 10.445 4.651 -10.254 901 HD3 LYS 112 HD1 LYS 112 11.682 3.530 -9.681 902 HE2 LYS 112 HE2 LYS 112 9.625 2.853 -8.070 903 HE3 LYS 112 HE1 LYS 112 8.744 3.370 -9.507 904 HZ1 LYS 112 HZ1 LYS 112 10.617 1.840 -10.606 905 HZ2 LYS 112 HZ2 LYS 112 9.108 1.251 -10.118 906 HZ3 LYS 112 HZ3 LYS 112 10.455 1.058 -9.114 907 H ASP 113 HN ASP 113 15.153 6.596 -7.689 908 HA ASP 113 HA ASP 113 16.864 4.940 -9.401 909 HB2 ASP 113 HB2 ASP 113 16.447 7.884 -9.097 910 HB3 ASP 113 HB1 ASP 113 18.006 7.308 -9.681 911 H ALA 114 HN ALA 114 17.626 7.627 -7.202 912 HA ALA 114 HA ALA 114 19.075 6.033 -5.352 913 HB1 ALA 114 HB1 ALA 114 20.529 7.137 -7.671 914 HB2 ALA 114 HB2 ALA 114 20.887 5.731 -6.668 915 HB3 ALA 114 HB3 ALA 114 21.292 7.350 -6.095 916 H ASP 115 HN ASP 115 17.365 7.568 -4.414 917 HA ASP 115 HA ASP 115 18.760 9.987 -3.507 918 HB2 ASP 115 HB2 ASP 115 16.741 10.184 -5.293 919 HB3 ASP 115 HB1 ASP 115 15.820 10.209 -3.792 920 H1 ASP 453 HN ASP 453 -15.967 -14.082 -0.796 921 HA ASP 453 HA ASP 453 -15.915 -14.659 -3.679 922 HB2 ASP 453 HB2 ASP 453 -18.147 -15.038 -1.739 923 HB3 ASP 453 HB1 ASP 453 -18.549 -14.457 -3.352 924 H LEU 454 HN LEU 454 -14.958 -12.362 -2.166 925 HA LEU 454 HA LEU 454 -16.613 -10.310 -3.459 926 HB2 LEU 454 HB2 LEU 454 -16.735 -10.646 -0.800 927 HB3 LEU 454 HB1 LEU 454 -15.337 -9.591 -0.884 928 HG LEU 454 HG LEU 454 -16.718 -7.957 -2.175 929 HD11 LEU 454 HD11 LEU 454 -18.888 -8.291 -2.698 930 HD12 LEU 454 HD12 LEU 454 -19.205 -9.246 -1.250 931 HD13 LEU 454 HD13 LEU 454 -18.409 -9.987 -2.638 932 HD21 LEU 454 HD21 LEU 454 -18.180 -8.427 0.363 933 HD22 LEU 454 HD22 LEU 454 -17.457 -6.950 -0.273 934 HD23 LEU 454 HD23 LEU 454 -16.435 -8.190 0.453 935 H ASP 455 HN ASP 455 -13.807 -11.737 -3.669 936 HA ASP 455 HA ASP 455 -11.964 -9.544 -3.496 937 HB2 ASP 455 HB2 ASP 455 -11.631 -12.221 -3.445 938 HB3 ASP 455 HB1 ASP 455 -11.265 -11.910 -5.139 939 H GLU 456 HN GLU 456 -13.957 -10.981 -5.974 940 HA GLU 456 HA GLU 456 -12.697 -9.968 -8.255 941 HB2 GLU 456 HB2 GLU 456 -15.659 -10.403 -7.829 942 HB3 GLU 456 HB1 GLU 456 -14.842 -10.285 -9.381 943 HG2 GLU 456 HG2 GLU 456 -14.150 -12.398 -7.369 944 HG3 GLU 456 HG1 GLU 456 -15.440 -12.605 -8.552 945 H SER 457 HN SER 457 -15.164 -8.533 -6.157 946 HA SER 457 HA SER 457 -15.322 -6.123 -7.724 947 HB2 SER 457 HB2 SER 457 -16.372 -6.559 -4.923 948 HB3 SER 457 HB1 SER 457 -16.916 -5.365 -6.102 949 HG SER 457 HG SER 457 -17.447 -8.095 -5.948 950 H TRP 458 HN TRP 458 -13.718 -7.173 -4.777 951 HA TRP 458 HA TRP 458 -12.802 -4.572 -4.031 952 HB2 TRP 458 HB2 TRP 458 -12.630 -7.274 -2.988 953 HB3 TRP 458 HB1 TRP 458 -11.085 -6.440 -2.855 954 HD1 TRP 458 HD1 TRP 458 -11.181 -6.123 -0.243 955 HE1 TRP 458 HE1 TRP 458 -12.620 -4.652 1.303 956 HE3 TRP 458 HE3 TRP 458 -14.777 -4.701 -3.588 957 HZ2 TRP 458 HZ2 TRP 458 -14.968 -3.095 1.128 958 HZ3 TRP 458 HZ3 TRP 458 -16.585 -3.220 -2.818 959 HH2 TRP 458 HH2 TRP 458 -16.677 -2.435 -0.508 960 H ASP 459 HN ASP 459 -11.657 -7.050 -6.167 961 HA ASP 459 HA ASP 459 -8.956 -6.052 -6.284 962 HB2 ASP 459 HB2 ASP 459 -10.492 -8.185 -7.731 963 HB3 ASP 459 HB1 ASP 459 -8.935 -7.646 -8.353 964 H TYR 460 HN TYR 460 -11.943 -5.527 -7.984 965 HA TYR 460 HA TYR 460 -10.685 -4.222 -10.234 966 HB2 TYR 460 HB2 TYR 460 -13.103 -5.462 -9.885 967 HB3 TYR 460 HB1 TYR 460 -13.560 -3.763 -9.823 968 HD1 TYR 460 HD2 TYR 460 -11.537 -2.659 -11.749 969 HD2 TYR 460 HD1 TYR 460 -13.999 -6.123 -11.953 970 HE1 TYR 460 HE2 TYR 460 -11.474 -2.552 -14.205 971 HE2 TYR 460 HE1 TYR 460 -13.942 -6.026 -14.409 972 HH TYR 460 HH TYR 460 -13.426 -3.724 -16.148 973 H ILE 461 HN ILE 461 -12.439 -3.268 -7.321 974 HA ILE 461 HA ILE 461 -12.755 -0.554 -7.844 975 HB ILE 461 HB ILE 461 -13.804 -1.680 -5.935 976 HG12 ILE 461 HG12 ILE 461 -12.031 0.652 -5.172 977 HG13 ILE 461 HG11 ILE 461 -13.630 0.756 -5.903 978 HG21 ILE 461 HG21 ILE 461 -10.995 -1.774 -4.856 979 HG22 ILE 461 HG22 ILE 461 -12.072 -3.130 -5.189 980 HG23 ILE 461 HG23 ILE 461 -12.433 -2.022 -3.865 981 HD11 ILE 461 HD11 ILE 461 -12.980 -0.308 -3.165 982 HD12 ILE 461 HD12 ILE 461 -14.585 -0.292 -3.895 983 HD13 ILE 461 HD13 ILE 461 -13.760 1.227 -3.546 984 H PHE 462 HN PHE 462 -9.916 -2.338 -6.891 985 HA PHE 462 HA PHE 462 -8.431 0.159 -6.486 986 HB2 PHE 462 HB2 PHE 462 -7.815 -2.706 -5.773 987 HB3 PHE 462 HB1 PHE 462 -6.616 -1.420 -5.663 988 HD1 PHE 462 HD2 PHE 462 -7.607 0.759 -4.396 989 HD2 PHE 462 HD1 PHE 462 -8.860 -3.267 -3.822 990 HE1 PHE 462 HE2 PHE 462 -8.439 1.341 -2.154 991 HE2 PHE 462 HE1 PHE 462 -9.697 -2.692 -1.581 992 HZ PHE 462 HZ PHE 462 -9.485 -0.386 -0.743 993 H GLU 463 HN GLU 463 -8.705 -2.605 -8.588 994 HA GLU 463 HA GLU 463 -6.236 -2.150 -9.972 995 HB2 GLU 463 HB2 GLU 463 -7.237 -4.381 -9.882 996 HB3 GLU 463 HB1 GLU 463 -8.652 -3.796 -10.746 997 HG2 GLU 463 HG2 GLU 463 -6.533 -3.100 -12.382 998 HG3 GLU 463 HG1 GLU 463 -6.094 -4.689 -11.758 999 H THR 464 HN THR 464 -9.513 -1.028 -10.272 1000 HA THR 464 HA THR 464 -9.567 -0.226 -12.937 1001 HB THR 464 HB THR 464 -11.100 1.669 -11.891 1002 HG1 THR 464 HG1 THR 464 -10.898 1.562 -9.792 1003 HG21 THR 464 HG21 THR 464 -12.811 0.376 -12.461 1004 HG22 THR 464 HG22 THR 464 -12.374 -0.867 -11.289 1005 HG23 THR 464 HG23 THR 464 -11.603 -0.840 -12.875 1006 H THR 465 HN THR 465 -9.124 1.732 -13.977 1007 HA THR 465 HA THR 465 -7.978 3.979 -12.692 1008 HB THR 465 HB THR 465 -6.001 2.730 -12.366 1009 HG1 THR 465 HG1 THR 465 -4.939 4.321 -13.185 1010 HG21 THR 465 HG21 THR 465 -6.000 1.857 -15.238 1011 HG22 THR 465 HG22 THR 465 -6.603 0.859 -13.915 1012 HG23 THR 465 HG23 THR 465 -4.910 1.353 -13.947 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 2.160 16.477 14.325 2 H3 PRO 1 HT2 PRO 1 0.810 15.794 14.971 3 HA PRO 1 HA PRO 1 0.437 14.929 13.156 4 HB2 PRO 1 HB2 PRO 1 0.006 17.276 11.505 5 HB3 PRO 1 HB1 PRO 1 -1.177 16.125 12.140 6 HG2 PRO 1 HG2 PRO 1 -0.971 18.687 13.032 7 HG3 PRO 1 HG1 PRO 1 -1.543 17.346 14.040 8 HD2 PRO 1 HD2 PRO 1 1.176 18.620 13.945 9 HD3 PRO 1 HD1 PRO 1 0.216 18.132 15.355 10 H SER 2 HN SER 2 2.409 14.035 12.595 11 HA SER 2 HA SER 2 3.896 15.482 10.506 12 HB2 SER 2 HB2 SER 2 5.941 14.195 11.416 13 HB3 SER 2 HB1 SER 2 5.376 15.593 12.332 14 HG SER 2 HG SER 2 5.417 12.938 13.021 15 H HIS 3 HN HIS 3 2.499 14.269 9.058 16 HA HIS 3 HA HIS 3 2.092 12.582 7.589 17 HB2 HIS 3 HB2 HIS 3 4.893 11.965 8.474 18 HB3 HIS 3 HB1 HIS 3 4.045 10.862 7.395 19 HD1 HIS 3 HD1 HIS 3 3.930 14.645 7.254 20 HD2 HIS 3 HD2 HIS 3 5.335 11.414 5.051 21 HE1 HIS 3 HE1 HIS 3 4.733 15.614 5.077 22 HE2 HIS 3 HE2 HIS 3 5.490 13.629 3.724 23 H SER 4 HN SER 4 0.345 11.597 8.514 24 HA SER 4 HA SER 4 0.589 8.935 9.355 25 HB2 SER 4 HB2 SER 4 -0.132 9.139 11.712 26 HB3 SER 4 HB1 SER 4 1.445 9.880 11.444 27 HG SER 4 HG SER 4 0.308 11.353 12.594 28 H GLY 5 HN GLY 5 -1.358 7.893 9.267 29 HA2 GLY 5 HA2 GLY 5 -3.840 9.374 9.463 30 HA3 GLY 5 HA1 GLY 5 -3.455 8.807 7.845 31 H ALA 6 HN ALA 6 -5.644 8.093 9.729 32 HA ALA 6 HA ALA 6 -5.252 5.524 10.788 33 HB1 ALA 6 HB1 ALA 6 -7.632 7.155 10.060 34 HB2 ALA 6 HB2 ALA 6 -7.145 6.503 11.624 35 HB3 ALA 6 HB3 ALA 6 -7.855 5.441 10.409 36 H ALA 7 HN ALA 7 -4.819 3.696 9.760 37 HA ALA 7 HA ALA 7 -6.090 3.194 7.158 38 HB1 ALA 7 HB1 ALA 7 -4.159 2.762 6.064 39 HB2 ALA 7 HB2 ALA 7 -3.356 2.132 7.502 40 HB3 ALA 7 HB3 ALA 7 -3.497 3.874 7.263 41 H ILE 8 HN ILE 8 -6.921 1.195 6.918 42 HA ILE 8 HA ILE 8 -6.572 -0.672 9.155 43 HB ILE 8 HB ILE 8 -8.692 -0.760 7.010 44 HG12 ILE 8 HG12 ILE 8 -10.149 0.078 8.976 45 HG13 ILE 8 HG11 ILE 8 -8.630 0.607 9.691 46 HG21 ILE 8 HG21 ILE 8 -9.638 -2.498 8.128 47 HG22 ILE 8 HG22 ILE 8 -9.041 -1.960 9.697 48 HG23 ILE 8 HG23 ILE 8 -7.954 -2.776 8.574 49 HD11 ILE 8 HD11 ILE 8 -8.413 2.331 8.268 50 HD12 ILE 8 HD12 ILE 8 -10.160 2.141 8.112 51 HD13 ILE 8 HD13 ILE 8 -9.084 1.433 6.906 52 H PHE 9 HN PHE 9 -5.574 -2.567 8.900 53 HA PHE 9 HA PHE 9 -5.136 -3.574 6.172 54 HB2 PHE 9 HB2 PHE 9 -3.105 -2.414 7.202 55 HB3 PHE 9 HB1 PHE 9 -3.045 -3.757 8.338 56 HD1 PHE 9 HD1 PHE 9 -3.627 -3.518 4.657 57 HD2 PHE 9 HD2 PHE 9 -1.323 -5.176 7.828 58 HE1 PHE 9 HE1 PHE 9 -2.336 -4.834 3.027 59 HE2 PHE 9 HE2 PHE 9 -0.027 -6.493 6.204 60 HZ PHE 9 HZ PHE 9 -0.533 -6.323 3.800 61 H GLU 10 HN GLU 10 -5.767 -5.610 5.914 62 HA GLU 10 HA GLU 10 -6.468 -7.725 6.345 63 HB2 GLU 10 HB2 GLU 10 -4.089 -7.376 7.793 64 HB3 GLU 10 HB1 GLU 10 -5.196 -8.177 8.899 65 HG2 GLU 10 HG2 GLU 10 -5.420 -10.037 7.526 66 HG3 GLU 10 HG1 GLU 10 -4.821 -9.177 6.108 67 H LYS 11 HN LYS 11 -8.198 -5.740 7.113 68 HA LYS 11 HA LYS 11 -10.084 -5.369 8.330 69 HB2 LYS 11 HB2 LYS 11 -9.621 -8.215 9.242 70 HB3 LYS 11 HB1 LYS 11 -11.112 -7.308 9.454 71 HG2 LYS 11 HG2 LYS 11 -11.622 -8.517 7.590 72 HG3 LYS 11 HG1 LYS 11 -10.960 -7.060 6.846 73 HD2 LYS 11 HD2 LYS 11 -8.852 -8.124 6.475 74 HD3 LYS 11 HD1 LYS 11 -9.330 -9.526 7.434 75 HE2 LYS 11 HE2 LYS 11 -11.256 -9.718 5.694 76 HE3 LYS 11 HE1 LYS 11 -10.210 -8.710 4.695 77 HZ1 LYS 11 HZ1 LYS 11 -9.297 -11.237 5.945 78 HZ2 LYS 11 HZ2 LYS 11 -8.523 -10.341 4.737 79 HZ3 LYS 11 HZ3 LYS 11 -9.957 -11.166 4.388 80 H VAL 12 HN VAL 12 -7.574 -4.593 9.459 81 HA VAL 12 HA VAL 12 -8.270 -4.712 12.319 82 HB VAL 12 HB VAL 12 -5.465 -4.640 11.198 83 HG11 VAL 12 HG11 VAL 12 -5.174 -3.614 13.209 84 HG12 VAL 12 HG12 VAL 12 -5.117 -5.291 13.752 85 HG13 VAL 12 HG13 VAL 12 -6.604 -4.359 13.922 86 HG21 VAL 12 HG21 VAL 12 -7.155 -6.864 12.276 87 HG22 VAL 12 HG22 VAL 12 -5.397 -6.920 12.408 88 HG23 VAL 12 HG23 VAL 12 -6.160 -6.825 10.820 89 H SER 13 HN SER 13 -8.424 -2.807 13.333 90 HA SER 13 HA SER 13 -8.050 -0.390 11.775 91 HB2 SER 13 HB2 SER 13 -9.136 0.732 13.702 92 HB3 SER 13 HB1 SER 13 -10.094 -0.616 13.088 93 HG SER 13 HG SER 13 -9.507 -0.300 15.523 94 H GLY 14 HN GLY 14 -6.216 0.719 11.786 95 HA2 GLY 14 HA2 GLY 14 -4.770 1.132 14.268 96 HA3 GLY 14 HA1 GLY 14 -3.897 0.225 13.042 97 H ILE 15 HN ILE 15 -2.736 2.473 13.844 98 HA ILE 15 HA ILE 15 -3.429 4.530 11.860 99 HB ILE 15 HB ILE 15 -1.545 4.848 14.193 100 HG12 ILE 15 HG12 ILE 15 -3.737 4.279 15.079 101 HG13 ILE 15 HG11 ILE 15 -3.425 5.992 15.339 102 HG21 ILE 15 HG21 ILE 15 -1.394 7.040 13.641 103 HG22 ILE 15 HG22 ILE 15 -3.040 7.109 13.010 104 HG23 ILE 15 HG23 ILE 15 -1.750 6.406 12.034 105 HD11 ILE 15 HD11 ILE 15 -5.318 6.486 14.319 106 HD12 ILE 15 HD12 ILE 15 -5.622 4.770 14.048 107 HD13 ILE 15 HD13 ILE 15 -4.739 5.710 12.845 108 H ILE 16 HN ILE 16 -2.043 5.081 10.268 109 HA ILE 16 HA ILE 16 0.426 3.515 10.067 110 HB ILE 16 HB ILE 16 -1.548 3.858 8.221 111 HG12 ILE 16 HG12 ILE 16 1.137 3.502 7.056 112 HG13 ILE 16 HG11 ILE 16 0.766 2.455 8.421 113 HG21 ILE 16 HG21 ILE 16 -0.899 6.249 7.944 114 HG22 ILE 16 HG22 ILE 16 -0.826 5.301 6.459 115 HG23 ILE 16 HG23 ILE 16 0.659 5.701 7.323 116 HD11 ILE 16 HD11 ILE 16 0.122 1.221 6.567 117 HD12 ILE 16 HD12 ILE 16 -0.584 2.621 5.759 118 HD13 ILE 16 HD13 ILE 16 -1.392 1.908 7.155 119 H ALA 17 HN ALA 17 2.377 4.437 10.180 120 HA ALA 17 HA ALA 17 2.523 7.381 10.092 121 HB1 ALA 17 HB1 ALA 17 3.625 5.439 12.036 122 HB2 ALA 17 HB2 ALA 17 3.031 7.081 12.282 123 HB3 ALA 17 HB3 ALA 17 4.641 6.816 11.612 124 H ILE 18 HN ILE 18 3.782 8.179 8.549 125 HA ILE 18 HA ILE 18 5.516 6.388 7.049 126 HB ILE 18 HB ILE 18 4.993 9.306 6.497 127 HG12 ILE 18 HG12 ILE 18 3.496 6.887 5.459 128 HG13 ILE 18 HG11 ILE 18 2.861 8.080 6.588 129 HG21 ILE 18 HG21 ILE 18 5.393 8.101 4.105 130 HG22 ILE 18 HG22 ILE 18 6.438 7.135 5.146 131 HG23 ILE 18 HG23 ILE 18 6.660 8.882 5.051 132 HD11 ILE 18 HD11 ILE 18 3.679 8.598 3.740 133 HD12 ILE 18 HD12 ILE 18 3.054 9.802 4.867 134 HD13 ILE 18 HD13 ILE 18 2.029 8.465 4.346 135 H ASN 19 HN ASN 19 7.701 6.481 6.991 136 HA ASN 19 HA ASN 19 8.991 8.326 8.877 137 HB2 ASN 19 HB2 ASN 19 9.670 5.592 7.862 138 HB3 ASN 19 HB1 ASN 19 10.963 6.642 8.434 139 HD21 ASN 19 HD21 ASN 19 11.317 6.800 10.552 140 HD22 ASN 19 HD22 ASN 19 10.319 6.107 11.781 141 H GLU 20 HN GLU 20 9.717 10.111 7.921 142 HA GLU 20 HA GLU 20 10.806 9.935 5.203 143 HB2 GLU 20 HB2 GLU 20 10.220 12.461 6.739 144 HB3 GLU 20 HB1 GLU 20 10.445 12.276 5.004 145 HG2 GLU 20 HG2 GLU 20 8.342 10.647 5.374 146 HG3 GLU 20 HG1 GLU 20 8.064 11.811 6.669 147 H ASP 21 HN ASP 21 11.700 10.522 8.498 148 HA ASP 21 HA ASP 21 14.010 12.004 8.287 149 HB2 ASP 21 HB2 ASP 21 13.138 9.826 10.145 150 HB3 ASP 21 HB1 ASP 21 14.789 10.430 10.251 151 H VAL 22 HN VAL 22 13.468 8.671 7.417 152 HA VAL 22 HA VAL 22 16.314 8.274 6.858 153 HB VAL 22 HB VAL 22 15.137 6.493 8.080 154 HG11 VAL 22 HG11 VAL 22 13.666 5.491 5.760 155 HG12 VAL 22 HG12 VAL 22 13.034 7.001 6.416 156 HG13 VAL 22 HG13 VAL 22 13.189 5.585 7.455 157 HG21 VAL 22 HG21 VAL 22 16.877 6.208 5.961 158 HG22 VAL 22 HG22 VAL 22 15.607 5.035 5.612 159 HG23 VAL 22 HG23 VAL 22 16.471 4.970 7.148 160 H SER 23 HN SER 23 17.088 7.789 4.802 161 HA SER 23 HA SER 23 15.879 9.096 2.654 162 HB2 SER 23 HB2 SER 23 18.232 7.377 3.030 163 HB3 SER 23 HB1 SER 23 17.550 7.319 1.405 164 HG SER 23 HG SER 23 19.043 8.995 1.534 165 HA PRO 24 HA PRO 24 14.773 4.641 0.753 166 HB2 PRO 24 HB2 PRO 24 14.553 3.335 3.434 167 HB3 PRO 24 HB1 PRO 24 14.982 2.629 1.872 168 HG2 PRO 24 HG2 PRO 24 16.847 3.187 3.707 169 HG3 PRO 24 HG1 PRO 24 17.158 3.385 1.974 170 HD2 PRO 24 HD2 PRO 24 16.751 5.441 4.060 171 HD3 PRO 24 HD1 PRO 24 17.622 5.545 2.521 172 H ALA 25 HN ALA 25 13.661 5.959 3.819 173 HA ALA 25 HA ALA 25 11.600 6.554 4.579 174 HB1 ALA 25 HB1 ALA 25 9.803 6.509 2.560 175 HB2 ALA 25 HB2 ALA 25 11.310 6.633 1.651 176 HB3 ALA 25 HB3 ALA 25 10.911 7.847 2.867 177 H GLU 26 HN GLU 26 10.415 5.274 5.830 178 HA GLU 26 HA GLU 26 9.437 2.732 4.705 179 HB2 GLU 26 HB2 GLU 26 10.586 3.333 7.420 180 HB3 GLU 26 HB1 GLU 26 9.571 1.924 7.139 181 HG2 GLU 26 HG2 GLU 26 11.216 0.797 6.152 182 HG3 GLU 26 HG1 GLU 26 11.715 2.187 5.191 183 H LEU 27 HN LEU 27 7.395 2.036 5.286 184 HA LEU 27 HA LEU 27 5.676 4.095 6.496 185 HB2 LEU 27 HB2 LEU 27 5.168 3.516 4.159 186 HB3 LEU 27 HB1 LEU 27 4.964 1.837 4.619 187 HG LEU 27 HG LEU 27 2.848 3.199 4.270 188 HD11 LEU 27 HD11 LEU 27 2.649 2.196 7.014 189 HD12 LEU 27 HD12 LEU 27 3.387 1.073 5.872 190 HD13 LEU 27 HD13 LEU 27 1.775 1.717 5.559 191 HD21 LEU 27 HD21 LEU 27 4.043 5.028 5.873 192 HD22 LEU 27 HD22 LEU 27 3.012 4.187 7.031 193 HD23 LEU 27 HD23 LEU 27 2.304 4.929 5.596 194 H THR 28 HN THR 28 5.270 3.668 8.569 195 HA THR 28 HA THR 28 5.123 0.886 9.463 196 HB THR 28 HB THR 28 4.918 3.196 11.344 197 HG1 THR 28 HG1 THR 28 7.293 2.358 10.045 198 HG21 THR 28 HG21 THR 28 5.978 0.418 11.438 199 HG22 THR 28 HG22 THR 28 4.909 1.259 12.561 200 HG23 THR 28 HG23 THR 28 6.632 1.637 12.532 201 H TRP 29 HN TRP 29 3.376 0.076 10.643 202 HA TRP 29 HA TRP 29 0.939 1.696 10.732 203 HB2 TRP 29 HB2 TRP 29 0.683 0.506 8.665 204 HB3 TRP 29 HB1 TRP 29 1.204 -1.005 9.402 205 HD1 TRP 29 HD1 TRP 29 -1.774 1.470 9.609 206 HE1 TRP 29 HE1 TRP 29 -3.879 0.125 10.228 207 HE3 TRP 29 HE3 TRP 29 0.365 -3.125 10.277 208 HZ2 TRP 29 HZ2 TRP 29 -4.545 -2.533 10.909 209 HZ3 TRP 29 HZ3 TRP 29 -1.075 -5.016 10.912 210 HH2 TRP 29 HH2 TRP 29 -3.479 -4.724 11.221 211 H ARG 30 HN ARG 30 0.547 1.743 12.856 212 HA ARG 30 HA ARG 30 0.859 -0.739 14.402 213 HB2 ARG 30 HB2 ARG 30 0.837 0.750 16.396 214 HB3 ARG 30 HB1 ARG 30 2.171 1.071 15.297 215 HG2 ARG 30 HG2 ARG 30 1.441 3.138 14.797 216 HG3 ARG 30 HG1 ARG 30 -0.259 2.663 14.835 217 HD2 ARG 30 HD2 ARG 30 -0.293 3.872 16.734 218 HD3 ARG 30 HD1 ARG 30 0.380 2.406 17.445 219 HE ARG 30 HE ARG 30 2.372 3.499 17.740 220 HH11 ARG 30 HH11 ARG 30 0.373 5.350 15.559 221 HH12 ARG 30 HH12 ARG 30 1.430 6.722 15.556 222 HH21 ARG 30 HH21 ARG 30 3.762 5.303 17.738 223 HH22 ARG 30 HH22 ARG 30 3.354 6.695 16.793 224 H SER 31 HN SER 31 -0.855 -1.708 15.308 225 HA SER 31 HA SER 31 -3.465 -1.092 14.515 226 HB2 SER 31 HB2 SER 31 -4.171 -2.767 16.192 227 HB3 SER 31 HB1 SER 31 -2.815 -3.341 15.223 228 HG SER 31 HG SER 31 -1.480 -2.513 17.029 229 H THR 32 HN THR 32 -5.291 -0.431 15.809 230 HA THR 32 HA THR 32 -4.902 1.978 17.159 231 HB THR 32 HB THR 32 -7.279 1.690 17.911 232 HG1 THR 32 HG1 THR 32 -7.141 -0.748 16.477 233 HG21 THR 32 HG21 THR 32 -7.814 2.545 15.951 234 HG22 THR 32 HG22 THR 32 -7.804 0.929 15.246 235 HG23 THR 32 HG23 THR 32 -6.332 1.900 15.245 236 H ASP 33 HN ASP 33 -5.255 -1.307 18.394 237 HA ASP 33 HA ASP 33 -5.264 -0.476 21.147 238 HB2 ASP 33 HB2 ASP 33 -5.177 -3.131 19.743 239 HB3 ASP 33 HB1 ASP 33 -4.881 -3.026 21.476 240 H GLY 34 HN GLY 34 -2.889 -1.516 18.807 241 HA2 GLY 34 HA2 GLY 34 -0.591 -1.051 18.944 242 HA3 GLY 34 HA1 GLY 34 -0.774 -0.762 20.667 243 H ASP 35 HN ASP 35 -1.837 -3.599 18.848 244 HA ASP 35 HA ASP 35 -0.018 -5.222 20.500 245 HB2 ASP 35 HB2 ASP 35 -2.760 -5.739 19.397 246 HB3 ASP 35 HB1 ASP 35 -1.693 -7.090 19.769 247 H LYS 36 HN LYS 36 -1.135 -4.571 17.250 248 HA LYS 36 HA LYS 36 1.014 -6.309 16.229 249 HB2 LYS 36 HB2 LYS 36 -1.630 -5.795 14.858 250 HB3 LYS 36 HB1 LYS 36 -0.353 -6.874 14.313 251 HG2 LYS 36 HG2 LYS 36 -0.923 -8.512 15.766 252 HG3 LYS 36 HG1 LYS 36 -1.461 -7.378 17.006 253 HD2 LYS 36 HD2 LYS 36 -3.522 -8.046 16.401 254 HD3 LYS 36 HD1 LYS 36 -3.294 -6.933 15.051 255 HE2 LYS 36 HE2 LYS 36 -2.157 -9.028 13.942 256 HE3 LYS 36 HE1 LYS 36 -3.138 -9.909 15.112 257 HZ1 LYS 36 HZ1 LYS 36 -3.972 -8.342 12.793 258 HZ2 LYS 36 HZ2 LYS 36 -4.984 -8.315 14.148 259 HZ3 LYS 36 HZ3 LYS 36 -4.605 -9.787 13.406 260 H VAL 37 HN VAL 37 2.486 -5.298 15.036 261 HA VAL 37 HA VAL 37 1.753 -2.982 13.435 262 HB VAL 37 HB VAL 37 2.380 -2.007 15.604 263 HG11 VAL 37 HG11 VAL 37 4.930 -3.532 15.152 264 HG12 VAL 37 HG12 VAL 37 3.852 -3.586 16.546 265 HG13 VAL 37 HG13 VAL 37 4.831 -2.151 16.244 266 HG21 VAL 37 HG21 VAL 37 2.809 -0.603 13.771 267 HG22 VAL 37 HG22 VAL 37 4.209 -1.549 13.265 268 HG23 VAL 37 HG23 VAL 37 4.290 -0.565 14.727 269 H HIS 38 HN HIS 38 3.083 -2.649 11.676 270 HA HIS 38 HA HIS 38 5.514 -4.242 11.425 271 HB2 HIS 38 HB2 HIS 38 3.734 -5.687 10.538 272 HB3 HIS 38 HB1 HIS 38 3.236 -4.405 9.439 273 HD1 HIS 38 HD1 HIS 38 5.763 -7.086 9.886 274 HD2 HIS 38 HD2 HIS 38 4.985 -3.969 7.250 275 HE1 HIS 38 HE1 HIS 38 7.225 -7.517 7.885 276 HE2 HIS 38 HE2 HIS 38 6.668 -5.668 6.266 277 H THR 39 HN THR 39 6.952 -3.502 9.818 278 HA THR 39 HA THR 39 6.311 -0.824 8.766 279 HB THR 39 HB THR 39 9.036 -1.870 9.554 280 HG1 THR 39 HG1 THR 39 8.713 -1.033 11.457 281 HG21 THR 39 HG21 THR 39 9.761 0.439 9.410 282 HG22 THR 39 HG22 THR 39 8.155 0.921 8.862 283 HG23 THR 39 HG23 THR 39 9.152 -0.129 7.855 284 H VAL 40 HN VAL 40 6.940 -0.317 6.677 285 HA VAL 40 HA VAL 40 8.237 -2.401 5.085 286 HB VAL 40 HB VAL 40 5.831 -2.806 4.830 287 HG11 VAL 40 HG11 VAL 40 5.367 -0.300 3.345 288 HG12 VAL 40 HG12 VAL 40 5.483 -0.154 5.099 289 HG13 VAL 40 HG13 VAL 40 4.282 -1.227 4.381 290 HG21 VAL 40 HG21 VAL 40 5.728 -2.500 2.314 291 HG22 VAL 40 HG22 VAL 40 7.116 -3.390 2.940 292 HG23 VAL 40 HG23 VAL 40 7.297 -1.707 2.446 293 H VAL 41 HN VAL 41 9.791 -1.536 3.881 294 HA VAL 41 HA VAL 41 10.310 1.218 3.767 295 HB VAL 41 HB VAL 41 11.343 -0.880 1.854 296 HG11 VAL 41 HG11 VAL 41 12.242 1.889 2.586 297 HG12 VAL 41 HG12 VAL 41 11.929 1.214 0.987 298 HG13 VAL 41 HG13 VAL 41 13.352 0.705 1.895 299 HG21 VAL 41 HG21 VAL 41 13.325 -0.499 3.676 300 HG22 VAL 41 HG22 VAL 41 12.166 -1.827 3.719 301 HG23 VAL 41 HG23 VAL 41 11.890 -0.385 4.694 302 H LEU 42 HN LEU 42 9.322 2.749 2.643 303 HA LEU 42 HA LEU 42 7.365 2.241 0.682 304 HB2 LEU 42 HB2 LEU 42 8.829 4.728 1.524 305 HB3 LEU 42 HB1 LEU 42 7.649 4.752 0.227 306 HG LEU 42 HG LEU 42 7.122 3.998 3.102 307 HD11 LEU 42 HD11 LEU 42 6.360 6.079 3.445 308 HD12 LEU 42 HD12 LEU 42 5.655 6.197 1.832 309 HD13 LEU 42 HD13 LEU 42 7.379 6.491 2.065 310 HD21 LEU 42 HD21 LEU 42 5.381 3.927 0.656 311 HD22 LEU 42 HD22 LEU 42 4.715 4.045 2.285 312 HD23 LEU 42 HD23 LEU 42 5.685 2.644 1.828 313 H SER 43 HN SER 43 10.799 2.788 0.489 314 HA SER 43 HA SER 43 11.034 3.555 -2.187 315 HB2 SER 43 HB2 SER 43 12.893 3.599 -0.537 316 HB3 SER 43 HB1 SER 43 12.964 1.839 -0.606 317 HG SER 43 HG SER 43 14.430 2.442 -2.075 318 H THR 44 HN THR 44 10.470 0.434 -0.735 319 HA THR 44 HA THR 44 11.129 -1.165 -2.973 320 HB THR 44 HB THR 44 9.966 -2.949 -1.835 321 HG1 THR 44 HG1 THR 44 8.669 -2.513 -0.033 322 HG21 THR 44 HG21 THR 44 10.770 -2.492 0.616 323 HG22 THR 44 HG22 THR 44 11.592 -1.129 -0.144 324 HG23 THR 44 HG23 THR 44 11.925 -2.774 -0.686 325 H ILE 45 HN ILE 45 8.326 0.705 -2.133 326 HA ILE 45 HA ILE 45 6.372 -0.535 -3.690 327 HB ILE 45 HB ILE 45 6.628 2.438 -3.228 328 HG12 ILE 45 HG12 ILE 45 6.785 1.323 -1.089 329 HG13 ILE 45 HG11 ILE 45 5.175 2.018 -1.241 330 HG21 ILE 45 HG21 ILE 45 4.153 2.372 -3.376 331 HG22 ILE 45 HG22 ILE 45 4.263 0.674 -3.840 332 HG23 ILE 45 HG23 ILE 45 4.960 1.918 -4.877 333 HD11 ILE 45 HD11 ILE 45 4.727 -0.056 -0.369 334 HD12 ILE 45 HD12 ILE 45 6.016 -0.839 -1.285 335 HD13 ILE 45 HD13 ILE 45 4.530 -0.347 -2.098 336 H ASP 46 HN ASP 46 5.506 0.043 -5.763 337 HA ASP 46 HA ASP 46 7.553 1.094 -7.604 338 HB2 ASP 46 HB2 ASP 46 7.070 -1.314 -7.909 339 HB3 ASP 46 HB1 ASP 46 5.377 -0.923 -8.200 340 H LYS 47 HN LYS 47 4.017 0.694 -7.309 341 HA LYS 47 HA LYS 47 3.701 3.422 -8.315 342 HB2 LYS 47 HB2 LYS 47 2.414 2.888 -10.124 343 HB3 LYS 47 HB1 LYS 47 3.421 1.450 -10.079 344 HG2 LYS 47 HG2 LYS 47 1.471 0.363 -10.202 345 HG3 LYS 47 HG1 LYS 47 1.373 0.692 -8.473 346 HD2 LYS 47 HD2 LYS 47 -0.606 1.627 -8.981 347 HD3 LYS 47 HD1 LYS 47 0.370 2.996 -9.517 348 HE2 LYS 47 HE2 LYS 47 -0.416 0.719 -11.322 349 HE3 LYS 47 HE1 LYS 47 -1.376 2.187 -11.147 350 HZ1 LYS 47 HZ1 LYS 47 1.481 2.222 -11.933 351 HZ2 LYS 47 HZ2 LYS 47 0.362 3.487 -12.033 352 HZ3 LYS 47 HZ3 LYS 47 0.221 2.151 -13.060 353 H LEU 48 HN LEU 48 1.306 4.090 -8.141 354 HA LEU 48 HA LEU 48 0.147 2.942 -5.688 355 HB2 LEU 48 HB2 LEU 48 0.401 5.847 -6.461 356 HB3 LEU 48 HB1 LEU 48 -0.631 5.278 -5.163 357 HG LEU 48 HG LEU 48 1.713 4.167 -4.408 358 HD11 LEU 48 HD11 LEU 48 3.179 6.431 -4.740 359 HD12 LEU 48 HD12 LEU 48 2.360 6.312 -6.298 360 HD13 LEU 48 HD13 LEU 48 3.346 4.970 -5.715 361 HD21 LEU 48 HD21 LEU 48 1.486 6.974 -3.595 362 HD22 LEU 48 HD22 LEU 48 1.466 5.503 -2.623 363 HD23 LEU 48 HD23 LEU 48 -0.003 6.042 -3.436 364 H GLN 49 HN GLN 49 -2.053 2.699 -5.629 365 HA GLN 49 HA GLN 49 -3.712 3.846 -7.710 366 HB2 GLN 49 HB2 GLN 49 -2.599 1.397 -8.231 367 HB3 GLN 49 HB1 GLN 49 -4.139 0.947 -7.513 368 HG2 GLN 49 HG2 GLN 49 -5.358 1.816 -9.230 369 HG3 GLN 49 HG1 GLN 49 -4.139 3.026 -9.630 370 HE21 GLN 49 HE21 GLN 49 -3.727 -0.452 -9.231 371 HE22 GLN 49 HE22 GLN 49 -3.220 -0.762 -10.853 372 H ALA 50 HN ALA 50 -5.813 4.074 -7.102 373 HA ALA 50 HA ALA 50 -6.763 2.667 -4.721 374 HB1 ALA 50 HB1 ALA 50 -5.712 5.049 -4.287 375 HB2 ALA 50 HB2 ALA 50 -7.162 4.514 -3.439 376 HB3 ALA 50 HB3 ALA 50 -7.300 5.588 -4.830 377 H THR 51 HN THR 51 -9.131 3.113 -4.344 378 HA THR 51 HA THR 51 -10.529 2.764 -6.835 379 HB THR 51 HB THR 51 -12.429 2.207 -5.519 380 HG1 THR 51 HG1 THR 51 -12.626 3.750 -4.023 381 HG21 THR 51 HG21 THR 51 -10.117 1.327 -3.816 382 HG22 THR 51 HG22 THR 51 -10.545 0.582 -5.356 383 HG23 THR 51 HG23 THR 51 -11.682 0.539 -4.009 384 HA PRO 52 HA PRO 52 -11.934 6.893 -7.467 385 HB2 PRO 52 HB2 PRO 52 -14.388 6.486 -8.551 386 HB3 PRO 52 HB1 PRO 52 -12.888 6.163 -9.427 387 HG2 PRO 52 HG2 PRO 52 -14.690 4.254 -7.988 388 HG3 PRO 52 HG1 PRO 52 -13.899 4.073 -9.566 389 HD2 PRO 52 HD2 PRO 52 -12.935 2.921 -7.314 390 HD3 PRO 52 HD1 PRO 52 -11.879 3.480 -8.627 391 H ALA 53 HN ALA 53 -13.243 8.512 -6.607 392 HA ALA 53 HA ALA 53 -14.224 8.130 -4.015 393 HB1 ALA 53 HB1 ALA 53 -14.495 10.369 -3.971 394 HB2 ALA 53 HB2 ALA 53 -15.335 10.406 -5.522 395 HB3 ALA 53 HB3 ALA 53 -13.576 10.297 -5.474 396 H SER 54 HN SER 54 -15.780 7.862 -7.120 397 HA SER 54 HA SER 54 -18.462 8.048 -6.245 398 HB2 SER 54 HB2 SER 54 -17.244 6.692 -8.659 399 HB3 SER 54 HB1 SER 54 -18.980 6.872 -8.404 400 HG SER 54 HG SER 54 -17.046 8.912 -8.750 401 H SER 55 HN SER 55 -16.137 5.448 -6.281 402 HA SER 55 HA SER 55 -17.853 3.256 -6.034 403 HB2 SER 55 HB2 SER 55 -15.954 2.027 -5.251 404 HB3 SER 55 HB1 SER 55 -15.354 3.196 -6.427 405 HG SER 55 HG SER 55 -14.885 3.011 -3.721 406 H GLU 56 HN GLU 56 -18.554 2.069 -4.218 407 HA GLU 56 HA GLU 56 -19.391 3.701 -2.020 408 HB2 GLU 56 HB2 GLU 56 -20.514 1.589 -3.175 409 HB3 GLU 56 HB1 GLU 56 -19.627 0.731 -1.923 410 HG2 GLU 56 HG2 GLU 56 -21.276 3.070 -1.132 411 HG3 GLU 56 HG1 GLU 56 -22.091 1.563 -1.548 412 H LYS 57 HN LYS 57 -17.191 0.932 -2.368 413 HA LYS 57 HA LYS 57 -16.316 1.204 0.388 414 HB2 LYS 57 HB2 LYS 57 -14.812 -0.731 -0.230 415 HB3 LYS 57 HB1 LYS 57 -16.538 -1.043 -0.349 416 HG2 LYS 57 HG2 LYS 57 -15.237 -0.083 -2.810 417 HG3 LYS 57 HG1 LYS 57 -14.763 -1.690 -2.256 418 HD2 LYS 57 HD2 LYS 57 -17.660 -1.048 -2.288 419 HD3 LYS 57 HD1 LYS 57 -16.862 -1.290 -3.844 420 HE2 LYS 57 HE2 LYS 57 -15.906 -3.430 -2.721 421 HE3 LYS 57 HE1 LYS 57 -17.237 -3.215 -1.585 422 HZ1 LYS 57 HZ1 LYS 57 -18.807 -3.534 -3.245 423 HZ2 LYS 57 HZ2 LYS 57 -17.618 -4.673 -3.630 424 HZ3 LYS 57 HZ3 LYS 57 -17.714 -3.225 -4.498 425 H MET 58 HN MET 58 -14.590 2.316 1.028 426 HA MET 58 HA MET 58 -12.866 3.507 -1.013 427 HB2 MET 58 HB2 MET 58 -13.346 4.149 1.893 428 HB3 MET 58 HB1 MET 58 -12.054 4.894 0.963 429 HG2 MET 58 HG2 MET 58 -13.755 5.730 -0.633 430 HG3 MET 58 HG1 MET 58 -15.007 5.085 0.427 431 HE1 MET 58 HE1 MET 58 -14.458 7.166 3.683 432 HE2 MET 58 HE2 MET 58 -13.263 5.913 3.350 433 HE3 MET 58 HE3 MET 58 -14.969 5.619 3.009 434 H MET 59 HN MET 59 -11.062 2.453 -1.493 435 HA MET 59 HA MET 59 -9.319 1.538 0.637 436 HB2 MET 59 HB2 MET 59 -10.354 -0.347 -1.488 437 HB3 MET 59 HB1 MET 59 -9.032 -0.707 -0.386 438 HG2 MET 59 HG2 MET 59 -10.623 -0.374 1.507 439 HG3 MET 59 HG1 MET 59 -11.917 -0.240 0.317 440 HE1 MET 59 HE1 MET 59 -12.834 -3.233 -0.957 441 HE2 MET 59 HE2 MET 59 -11.251 -3.305 -1.731 442 HE3 MET 59 HE3 MET 59 -12.079 -1.757 -1.559 443 H LEU 60 HN LEU 60 -7.190 0.787 -0.251 444 HA LEU 60 HA LEU 60 -6.582 1.971 -2.868 445 HB2 LEU 60 HB2 LEU 60 -6.044 3.460 -0.813 446 HB3 LEU 60 HB1 LEU 60 -4.722 2.340 -0.544 447 HG LEU 60 HG LEU 60 -4.946 3.493 -3.266 448 HD11 LEU 60 HD11 LEU 60 -3.862 5.563 -2.623 449 HD12 LEU 60 HD12 LEU 60 -3.950 5.107 -0.922 450 HD13 LEU 60 HD13 LEU 60 -5.430 5.424 -1.828 451 HD21 LEU 60 HD21 LEU 60 -2.607 3.078 -1.410 452 HD22 LEU 60 HD22 LEU 60 -2.542 3.446 -3.133 453 HD23 LEU 60 HD23 LEU 60 -3.182 1.896 -2.586 454 H ARG 61 HN ARG 61 -5.043 0.913 -4.052 455 HA ARG 61 HA ARG 61 -3.894 -1.505 -2.820 456 HB2 ARG 61 HB2 ARG 61 -5.667 -1.788 -4.643 457 HB3 ARG 61 HB1 ARG 61 -4.453 -1.183 -5.760 458 HG2 ARG 61 HG2 ARG 61 -3.413 -3.309 -4.095 459 HG3 ARG 61 HG1 ARG 61 -4.843 -3.813 -4.996 460 HD2 ARG 61 HD2 ARG 61 -3.640 -2.668 -7.004 461 HD3 ARG 61 HD1 ARG 61 -2.197 -2.864 -6.010 462 HE ARG 61 HE ARG 61 -2.259 -5.122 -6.410 463 HH11 ARG 61 HH11 ARG 61 -5.289 -3.702 -7.402 464 HH12 ARG 61 HH12 ARG 61 -5.852 -5.143 -8.179 465 HH21 ARG 61 HH21 ARG 61 -2.998 -7.017 -7.432 466 HH22 ARG 61 HH22 ARG 61 -4.553 -7.025 -8.197 467 H LEU 62 HN LEU 62 -1.805 -1.235 -2.456 468 HA LEU 62 HA LEU 62 -0.229 0.544 -4.128 469 HB2 LEU 62 HB2 LEU 62 -0.146 -0.347 -1.408 470 HB3 LEU 62 HB1 LEU 62 1.384 -0.725 -2.177 471 HG LEU 62 HG LEU 62 1.076 1.821 -3.001 472 HD11 LEU 62 HD11 LEU 62 -0.701 1.464 -0.700 473 HD12 LEU 62 HD12 LEU 62 -0.673 2.723 -1.935 474 HD13 LEU 62 HD13 LEU 62 0.427 2.812 -0.560 475 HD21 LEU 62 HD21 LEU 62 2.937 2.163 -1.791 476 HD22 LEU 62 HD22 LEU 62 2.805 0.443 -1.422 477 HD23 LEU 62 HD23 LEU 62 2.177 1.639 -0.288 478 H ILE 63 HN ILE 63 1.498 -0.074 -5.377 479 HA ILE 63 HA ILE 63 1.743 -2.969 -5.865 480 HB ILE 63 HB ILE 63 2.468 -0.756 -7.781 481 HG12 ILE 63 HG12 ILE 63 0.048 -0.738 -7.319 482 HG13 ILE 63 HG11 ILE 63 0.388 -1.276 -8.961 483 HG21 ILE 63 HG21 ILE 63 3.583 -2.473 -8.700 484 HG22 ILE 63 HG22 ILE 63 1.988 -2.969 -9.266 485 HG23 ILE 63 HG23 ILE 63 2.665 -3.683 -7.801 486 HD11 ILE 63 HD11 ILE 63 -1.384 -2.566 -7.802 487 HD12 ILE 63 HD12 ILE 63 -0.163 -3.133 -6.663 488 HD13 ILE 63 HD13 ILE 63 -0.035 -3.548 -8.372 489 H GLY 64 HN GLY 64 3.738 -3.924 -5.892 490 HA2 GLY 64 HA2 GLY 64 5.942 -2.271 -4.864 491 HA3 GLY 64 HA1 GLY 64 5.809 -4.014 -4.694 492 H LYS 65 HN LYS 65 8.144 -2.814 -5.573 493 HA LYS 65 HA LYS 65 8.296 -2.809 -8.430 494 HB2 LYS 65 HB2 LYS 65 10.208 -2.514 -6.175 495 HB3 LYS 65 HB1 LYS 65 10.870 -3.032 -7.720 496 HG2 LYS 65 HG2 LYS 65 10.412 -1.040 -8.744 497 HG3 LYS 65 HG1 LYS 65 9.058 -0.675 -7.673 498 HD2 LYS 65 HD2 LYS 65 10.436 0.106 -5.983 499 HD3 LYS 65 HD1 LYS 65 11.839 -0.785 -6.579 500 HE2 LYS 65 HE2 LYS 65 12.403 0.830 -8.058 501 HE3 LYS 65 HE1 LYS 65 10.725 1.250 -8.402 502 HZ1 LYS 65 HZ1 LYS 65 12.524 2.302 -6.366 503 HZ2 LYS 65 HZ2 LYS 65 10.904 2.120 -5.917 504 HZ3 LYS 65 HZ3 LYS 65 11.309 3.084 -7.247 505 H VAL 66 HN VAL 66 9.896 -4.246 -9.581 506 HA VAL 66 HA VAL 66 9.198 -6.998 -9.030 507 HB VAL 66 HB VAL 66 10.991 -5.966 -11.227 508 HG11 VAL 66 HG11 VAL 66 10.091 -8.048 -12.364 509 HG12 VAL 66 HG12 VAL 66 9.497 -8.535 -10.777 510 HG13 VAL 66 HG13 VAL 66 11.226 -8.303 -11.038 511 HG21 VAL 66 HG21 VAL 66 8.055 -5.871 -10.914 512 HG22 VAL 66 HG22 VAL 66 8.662 -6.405 -12.481 513 HG23 VAL 66 HG23 VAL 66 9.133 -4.830 -11.843 514 H ASP 67 HN ASP 67 10.802 -8.717 -8.979 515 HA ASP 67 HA ASP 67 13.540 -8.057 -8.379 516 HB2 ASP 67 HB2 ASP 67 11.609 -8.834 -6.227 517 HB3 ASP 67 HB1 ASP 67 13.278 -9.386 -6.123 518 H GLU 68 HN GLU 68 14.382 -9.491 -9.770 519 HA GLU 68 HA GLU 68 13.366 -12.242 -9.763 520 HB2 GLU 68 HB2 GLU 68 14.950 -10.629 -11.740 521 HB3 GLU 68 HB1 GLU 68 14.928 -12.385 -11.829 522 HG2 GLU 68 HG2 GLU 68 12.320 -12.007 -11.720 523 HG3 GLU 68 HG1 GLU 68 12.764 -10.426 -12.361 524 H SER 69 HN SER 69 14.935 -11.369 -7.571 525 HA SER 69 HA SER 69 17.316 -13.062 -7.943 526 HB2 SER 69 HB2 SER 69 18.632 -11.601 -6.567 527 HB3 SER 69 HB1 SER 69 17.863 -10.602 -7.800 528 HG SER 69 HG SER 69 17.149 -9.491 -6.173 529 H LYS 70 HN LYS 70 14.768 -13.898 -7.004 530 HA LYS 70 HA LYS 70 15.560 -14.889 -4.383 531 HB2 LYS 70 HB2 LYS 70 12.902 -13.527 -4.856 532 HB3 LYS 70 HB1 LYS 70 13.368 -14.373 -3.387 533 HG2 LYS 70 HG2 LYS 70 15.082 -12.752 -2.933 534 HG3 LYS 70 HG1 LYS 70 14.787 -11.953 -4.479 535 HD2 LYS 70 HD2 LYS 70 12.330 -11.785 -3.518 536 HD3 LYS 70 HD1 LYS 70 13.177 -11.914 -1.975 537 HE2 LYS 70 HE2 LYS 70 14.312 -10.010 -3.923 538 HE3 LYS 70 HE1 LYS 70 12.735 -9.585 -3.258 539 HZ1 LYS 70 HZ1 LYS 70 13.727 -9.953 -1.016 540 HZ2 LYS 70 HZ2 LYS 70 14.383 -8.643 -1.862 541 HZ3 LYS 70 HZ3 LYS 70 15.241 -10.097 -1.757 542 H LYS 71 HN LYS 71 13.056 -14.908 -6.903 543 HA LYS 71 HA LYS 71 11.879 -16.596 -7.870 544 HB2 LYS 71 HB2 LYS 71 14.438 -17.484 -7.778 545 HB3 LYS 71 HB1 LYS 71 13.635 -18.744 -6.850 546 HG2 LYS 71 HG2 LYS 71 13.299 -19.687 -8.849 547 HG3 LYS 71 HG1 LYS 71 11.971 -18.532 -8.979 548 HD2 LYS 71 HD2 LYS 71 13.206 -18.352 -10.991 549 HD3 LYS 71 HD1 LYS 71 13.628 -16.936 -10.026 550 HE2 LYS 71 HE2 LYS 71 15.730 -17.554 -10.587 551 HE3 LYS 71 HE1 LYS 71 15.538 -18.614 -9.192 552 HZ1 LYS 71 HZ1 LYS 71 14.527 -20.149 -11.107 553 HZ2 LYS 71 HZ2 LYS 71 16.163 -20.166 -10.677 554 HZ3 LYS 71 HZ3 LYS 71 15.651 -19.272 -12.019 555 H ARG 72 HN ARG 72 11.160 -19.088 -7.240 556 HA ARG 72 HA ARG 72 9.301 -18.779 -5.185 557 HB2 ARG 72 HB2 ARG 72 8.888 -21.175 -5.406 558 HB3 ARG 72 HB1 ARG 72 9.059 -20.426 -6.987 559 HG2 ARG 72 HG2 ARG 72 11.572 -21.450 -5.926 560 HG3 ARG 72 HG1 ARG 72 10.338 -22.693 -6.135 561 HD2 ARG 72 HD2 ARG 72 11.427 -20.806 -8.214 562 HD3 ARG 72 HD1 ARG 72 11.584 -22.561 -8.164 563 HE ARG 72 HE ARG 72 8.906 -22.176 -8.254 564 HH11 ARG 72 HH11 ARG 72 11.557 -21.027 -10.211 565 HH12 ARG 72 HH12 ARG 72 10.609 -20.925 -11.657 566 HH21 ARG 72 HH21 ARG 72 7.658 -22.043 -10.154 567 HH22 ARG 72 HH22 ARG 72 8.396 -21.502 -11.625 568 H LYS 73 HN LYS 73 9.152 -19.689 -3.101 569 HA LYS 73 HA LYS 73 9.893 -20.204 -1.014 570 HB2 LYS 73 HB2 LYS 73 10.622 -22.288 -2.175 571 HB3 LYS 73 HB1 LYS 73 12.192 -21.546 -2.448 572 HG2 LYS 73 HG2 LYS 73 12.802 -21.697 -0.241 573 HG3 LYS 73 HG1 LYS 73 11.133 -21.714 0.331 574 HD2 LYS 73 HD2 LYS 73 10.834 -23.972 -0.395 575 HD3 LYS 73 HD1 LYS 73 12.388 -23.965 -1.231 576 HE2 LYS 73 HE2 LYS 73 13.067 -24.998 0.665 577 HE3 LYS 73 HE1 LYS 73 13.222 -23.335 1.230 578 HZ1 LYS 73 HZ1 LYS 73 10.630 -24.640 1.571 579 HZ2 LYS 73 HZ2 LYS 73 11.417 -23.524 2.568 580 HZ3 LYS 73 HZ3 LYS 73 11.892 -25.147 2.579 581 H ASP 74 HN ASP 74 10.518 -18.498 0.132 582 HA ASP 74 HA ASP 74 12.847 -16.952 -0.640 583 HB2 ASP 74 HB2 ASP 74 10.483 -16.210 0.433 584 HB3 ASP 74 HB1 ASP 74 11.448 -16.342 1.900 585 H ASN 75 HN ASN 75 11.759 -18.394 2.440 586 HA ASN 75 HA ASN 75 14.545 -19.156 2.975 587 HB2 ASN 75 HB2 ASN 75 13.487 -17.020 4.216 588 HB3 ASN 75 HB1 ASN 75 12.913 -18.285 5.298 589 HD21 ASN 75 HD21 ASN 75 15.642 -16.538 4.127 590 HD22 ASN 75 HD22 ASN 75 16.800 -17.179 5.238 591 H GLU 76 HN GLU 76 11.357 -19.416 4.559 592 HA GLU 76 HA GLU 76 11.238 -22.248 4.177 593 HB2 GLU 76 HB2 GLU 76 12.229 -21.129 6.750 594 HB3 GLU 76 HB1 GLU 76 11.103 -22.477 6.834 595 HG2 GLU 76 HG2 GLU 76 12.887 -23.783 6.638 596 HG3 GLU 76 HG1 GLU 76 12.904 -23.310 4.940 597 H GLY 77 HN GLY 77 9.217 -21.643 3.303 598 HA2 GLY 77 HA2 GLY 77 6.895 -21.943 3.790 599 HA3 GLY 77 HA1 GLY 77 7.168 -21.221 5.369 600 H ASN 78 HN ASN 78 7.376 -20.400 1.910 601 HA ASN 78 HA ASN 78 5.645 -18.193 2.120 602 HB2 ASN 78 HB2 ASN 78 8.513 -17.679 2.604 603 HB3 ASN 78 HB1 ASN 78 7.743 -16.603 1.441 604 HD21 ASN 78 HD21 ASN 78 8.577 -16.813 4.533 605 HD22 ASN 78 HD22 ASN 78 7.340 -15.857 5.269 606 H GLU 79 HN GLU 79 4.716 -18.377 0.196 607 HA GLU 79 HA GLU 79 6.128 -19.384 -2.093 608 HB2 GLU 79 HB2 GLU 79 3.322 -18.532 -1.519 609 HB3 GLU 79 HB1 GLU 79 3.842 -18.652 -3.194 610 HG2 GLU 79 HG2 GLU 79 4.116 -20.932 -3.090 611 HG3 GLU 79 HG1 GLU 79 4.336 -20.932 -1.341 612 H VAL 80 HN VAL 80 7.633 -18.046 -2.919 613 HA VAL 80 HA VAL 80 6.951 -15.226 -3.340 614 HB VAL 80 HB VAL 80 9.636 -16.560 -3.708 615 HG11 VAL 80 HG11 VAL 80 8.822 -14.176 -4.688 616 HG12 VAL 80 HG12 VAL 80 10.486 -14.542 -4.233 617 HG13 VAL 80 HG13 VAL 80 9.431 -13.687 -3.107 618 HG21 VAL 80 HG21 VAL 80 10.127 -16.291 -1.529 619 HG22 VAL 80 HG22 VAL 80 8.377 -16.318 -1.317 620 HG23 VAL 80 HG23 VAL 80 9.231 -14.778 -1.407 621 H VAL 81 HN VAL 81 6.795 -14.322 -5.331 622 HA VAL 81 HA VAL 81 7.204 -16.095 -7.651 623 HB VAL 81 HB VAL 81 5.088 -13.952 -7.437 624 HG11 VAL 81 HG11 VAL 81 5.882 -14.460 -9.712 625 HG12 VAL 81 HG12 VAL 81 4.199 -14.926 -9.468 626 HG13 VAL 81 HG13 VAL 81 5.464 -16.155 -9.462 627 HG21 VAL 81 HG21 VAL 81 3.680 -16.236 -7.558 628 HG22 VAL 81 HG22 VAL 81 4.115 -15.443 -6.044 629 HG23 VAL 81 HG23 VAL 81 5.079 -16.794 -6.640 630 HA PRO 82 HA PRO 82 9.944 -12.890 -9.068 631 HB2 PRO 82 HB2 PRO 82 10.108 -13.609 -11.680 632 HB3 PRO 82 HB1 PRO 82 10.925 -14.498 -10.389 633 HG2 PRO 82 HG2 PRO 82 8.328 -15.106 -11.754 634 HG3 PRO 82 HG1 PRO 82 9.659 -16.206 -11.346 635 HD2 PRO 82 HD2 PRO 82 7.429 -16.037 -9.841 636 HD3 PRO 82 HD1 PRO 82 9.024 -16.352 -9.128 637 H LYS 83 HN LYS 83 7.691 -11.664 -8.645 638 HA LYS 83 HA LYS 83 7.305 -10.028 -11.009 639 HB2 LYS 83 HB2 LYS 83 4.777 -10.142 -10.672 640 HB3 LYS 83 HB1 LYS 83 5.539 -11.532 -11.432 641 HG2 LYS 83 HG2 LYS 83 4.107 -12.523 -9.931 642 HG3 LYS 83 HG1 LYS 83 5.620 -12.487 -9.023 643 HD2 LYS 83 HD2 LYS 83 4.905 -10.752 -7.655 644 HD3 LYS 83 HD1 LYS 83 3.670 -10.227 -8.801 645 HE2 LYS 83 HE2 LYS 83 3.634 -12.650 -7.016 646 HE3 LYS 83 HE1 LYS 83 2.541 -11.267 -6.988 647 HZ1 LYS 83 HZ1 LYS 83 2.166 -12.118 -9.470 648 HZ2 LYS 83 HZ2 LYS 83 1.250 -12.672 -8.160 649 HZ3 LYS 83 HZ3 LYS 83 2.548 -13.593 -8.733 650 HA PRO 84 HA PRO 84 7.092 -6.673 -8.174 651 HB2 PRO 84 HB2 PRO 84 4.929 -5.246 -9.148 652 HB3 PRO 84 HB1 PRO 84 6.572 -5.152 -9.787 653 HG2 PRO 84 HG2 PRO 84 4.235 -6.726 -10.784 654 HG3 PRO 84 HG1 PRO 84 5.469 -5.843 -11.703 655 HD2 PRO 84 HD2 PRO 84 5.548 -8.511 -11.466 656 HD3 PRO 84 HD1 PRO 84 7.035 -7.540 -11.468 657 H GLN 85 HN GLN 85 6.345 -6.590 -6.158 658 HA GLN 85 HA GLN 85 4.256 -8.169 -5.204 659 HB2 GLN 85 HB2 GLN 85 5.887 -5.938 -4.100 660 HB3 GLN 85 HB1 GLN 85 4.418 -6.372 -3.236 661 HG2 GLN 85 HG2 GLN 85 5.278 -8.294 -2.472 662 HG3 GLN 85 HG1 GLN 85 6.124 -8.638 -3.980 663 HE21 GLN 85 HE21 GLN 85 7.056 -8.871 -1.231 664 HE22 GLN 85 HE22 GLN 85 8.459 -7.870 -1.112 665 H ARG 86 HN ARG 86 2.446 -7.085 -3.779 666 HA ARG 86 HA ARG 86 1.243 -4.711 -4.810 667 HB2 ARG 86 HB2 ARG 86 0.383 -7.366 -5.844 668 HB3 ARG 86 HB1 ARG 86 -0.877 -6.201 -5.466 669 HG2 ARG 86 HG2 ARG 86 -0.554 -5.257 -7.437 670 HG3 ARG 86 HG1 ARG 86 1.076 -4.809 -6.933 671 HD2 ARG 86 HD2 ARG 86 2.038 -6.442 -8.149 672 HD3 ARG 86 HD1 ARG 86 0.762 -7.603 -7.786 673 HE ARG 86 HE ARG 86 -0.215 -5.625 -9.541 674 HH11 ARG 86 HH11 ARG 86 1.923 -8.382 -9.484 675 HH12 ARG 86 HH12 ARG 86 1.693 -8.753 -11.160 676 HH21 ARG 86 HH21 ARG 86 -0.519 -6.111 -11.745 677 HH22 ARG 86 HH22 ARG 86 0.307 -7.463 -12.444 678 H HIS 87 HN HIS 87 0.831 -3.985 -2.781 679 HA HIS 87 HA HIS 87 -0.882 -5.678 -1.079 680 HB2 HIS 87 HB2 HIS 87 1.051 -3.590 -0.068 681 HB3 HIS 87 HB1 HIS 87 0.170 -4.786 0.877 682 HD1 HIS 87 HD1 HIS 87 1.060 -7.231 0.818 683 HD2 HIS 87 HD2 HIS 87 3.396 -4.496 -1.264 684 HE1 HIS 87 HE1 HIS 87 3.236 -8.409 0.369 685 HE2 HIS 87 HE2 HIS 87 4.602 -6.765 -0.964 686 H MET 88 HN MET 88 -2.795 -4.857 -0.514 687 HA MET 88 HA MET 88 -3.270 -1.996 -1.029 688 HB2 MET 88 HB2 MET 88 -5.592 -2.547 -1.465 689 HB3 MET 88 HB1 MET 88 -4.552 -3.529 -2.487 690 HG2 MET 88 HG2 MET 88 -6.028 -5.107 -1.786 691 HG3 MET 88 HG1 MET 88 -4.802 -5.258 -0.529 692 HE1 MET 88 HE1 MET 88 -7.939 -5.643 -1.264 693 HE2 MET 88 HE2 MET 88 -8.916 -4.255 -0.785 694 HE3 MET 88 HE3 MET 88 -8.743 -5.629 0.306 695 H PHE 89 HN PHE 89 -4.549 -0.814 0.433 696 HA PHE 89 HA PHE 89 -4.873 -2.070 3.080 697 HB2 PHE 89 HB2 PHE 89 -3.910 0.708 2.393 698 HB3 PHE 89 HB1 PHE 89 -4.437 0.249 4.009 699 HD1 PHE 89 HD2 PHE 89 -3.139 -1.346 5.332 700 HD2 PHE 89 HD1 PHE 89 -1.809 -0.018 1.514 701 HE1 PHE 89 HE2 PHE 89 -0.881 -2.185 5.831 702 HE2 PHE 89 HE1 PHE 89 0.451 -0.856 2.005 703 HZ PHE 89 HZ PHE 89 0.918 -1.941 4.166 704 H SER 90 HN SER 90 -6.504 -0.996 4.462 705 HA SER 90 HA SER 90 -8.787 -0.123 2.828 706 HB2 SER 90 HB2 SER 90 -8.531 -1.779 5.281 707 HB3 SER 90 HB1 SER 90 -9.945 -0.732 5.174 708 HG SER 90 HG SER 90 -9.139 -2.740 3.342 709 H PHE 91 HN PHE 91 -10.147 1.566 3.601 710 HA PHE 91 HA PHE 91 -9.199 3.195 5.809 711 HB2 PHE 91 HB2 PHE 91 -9.413 4.348 3.020 712 HB3 PHE 91 HB1 PHE 91 -9.000 5.232 4.485 713 HD1 PHE 91 HD1 PHE 91 -7.834 2.691 2.088 714 HD2 PHE 91 HD2 PHE 91 -6.797 5.210 5.358 715 HE1 PHE 91 HE1 PHE 91 -5.453 2.204 1.702 716 HE2 PHE 91 HE2 PHE 91 -4.414 4.729 4.977 717 HZ PHE 91 HZ PHE 91 -3.739 3.224 3.148 718 H ASN 92 HN ASN 92 -10.677 5.145 6.101 719 HA ASN 92 HA ASN 92 -13.394 4.617 5.133 720 HB2 ASN 92 HB2 ASN 92 -12.455 4.634 7.964 721 HB3 ASN 92 HB1 ASN 92 -14.036 5.327 7.614 722 HD21 ASN 92 HD21 ASN 92 -13.722 3.109 9.222 723 HD22 ASN 92 HD22 ASN 92 -14.403 1.733 8.431 724 H ASN 93 HN ASN 93 -11.405 6.619 4.431 725 HA ASN 93 HA ASN 93 -13.074 8.958 4.772 726 HB2 ASN 93 HB2 ASN 93 -11.154 8.676 6.650 727 HB3 ASN 93 HB1 ASN 93 -10.230 9.504 5.400 728 HD21 ASN 93 HD21 ASN 93 -13.559 9.743 6.613 729 HD22 ASN 93 HD22 ASN 93 -13.512 11.446 6.897 730 H ARG 94 HN ARG 94 -12.868 10.411 3.117 731 HA ARG 94 HA ARG 94 -11.390 9.506 0.807 732 HB2 ARG 94 HB2 ARG 94 -13.783 10.724 1.060 733 HB3 ARG 94 HB1 ARG 94 -12.770 12.127 0.744 734 HG2 ARG 94 HG2 ARG 94 -12.802 9.682 -1.006 735 HG3 ARG 94 HG1 ARG 94 -13.833 11.089 -1.270 736 HD2 ARG 94 HD2 ARG 94 -11.373 12.237 -0.990 737 HD3 ARG 94 HD1 ARG 94 -10.973 10.718 -1.791 738 HE ARG 94 HE ARG 94 -11.980 11.493 -3.697 739 HH11 ARG 94 HH11 ARG 94 -12.911 13.525 -1.016 740 HH12 ARG 94 HH12 ARG 94 -13.687 14.705 -2.017 741 HH21 ARG 94 HH21 ARG 94 -13.000 13.045 -5.016 742 HH22 ARG 94 HH22 ARG 94 -13.738 14.433 -4.288 743 H THR 95 HN THR 95 -11.161 12.035 3.204 744 HA THR 95 HA THR 95 -9.144 13.516 1.777 745 HB THR 95 HB THR 95 -10.026 13.720 4.663 746 HG1 THR 95 HG1 THR 95 -10.897 15.013 2.307 747 HG21 THR 95 HG21 THR 95 -9.003 15.807 4.796 748 HG22 THR 95 HG22 THR 95 -8.748 15.895 3.053 749 HG23 THR 95 HG23 THR 95 -7.797 14.774 4.028 750 H VAL 96 HN VAL 96 -9.220 11.361 4.597 751 HA VAL 96 HA VAL 96 -6.480 11.505 5.211 752 HB VAL 96 HB VAL 96 -8.290 9.133 5.681 753 HG11 VAL 96 HG11 VAL 96 -5.781 8.916 6.025 754 HG12 VAL 96 HG12 VAL 96 -6.809 8.502 7.397 755 HG13 VAL 96 HG13 VAL 96 -5.973 10.054 7.359 756 HG21 VAL 96 HG21 VAL 96 -9.346 10.204 7.346 757 HG22 VAL 96 HG22 VAL 96 -8.813 11.673 6.528 758 HG23 VAL 96 HG23 VAL 96 -7.880 11.027 7.878 759 H MET 97 HN MET 97 -8.304 9.216 3.197 760 HA MET 97 HA MET 97 -6.179 7.516 2.548 761 HB2 MET 97 HB2 MET 97 -8.565 7.008 2.121 762 HB3 MET 97 HB1 MET 97 -8.575 8.213 0.841 763 HG2 MET 97 HG2 MET 97 -6.490 6.153 0.622 764 HG3 MET 97 HG1 MET 97 -8.150 5.583 0.452 765 HE1 MET 97 HE1 MET 97 -9.542 7.020 -2.597 766 HE2 MET 97 HE2 MET 97 -9.728 6.168 -1.065 767 HE3 MET 97 HE3 MET 97 -8.879 5.398 -2.404 768 H ASP 98 HN ASP 98 -7.134 10.617 1.251 769 HA ASP 98 HA ASP 98 -5.445 10.466 -1.062 770 HB2 ASP 98 HB2 ASP 98 -7.133 12.573 0.218 771 HB3 ASP 98 HB1 ASP 98 -5.904 13.069 -0.941 772 H ASN 99 HN ASN 99 -5.137 11.633 2.217 773 HA ASN 99 HA ASN 99 -2.799 13.183 1.852 774 HB2 ASN 99 HB2 ASN 99 -4.485 12.977 3.885 775 HB3 ASN 99 HB1 ASN 99 -3.312 11.788 4.443 776 HD21 ASN 99 HD21 ASN 99 -1.446 12.460 5.320 777 HD22 ASN 99 HD22 ASN 99 -0.980 14.116 5.483 778 H ILE 100 HN ILE 100 -3.329 9.795 2.717 779 HA ILE 100 HA ILE 100 -0.596 9.182 3.181 780 HB ILE 100 HB ILE 100 -2.778 7.263 2.357 781 HG12 ILE 100 HG12 ILE 100 -3.423 8.640 4.322 782 HG13 ILE 100 HG11 ILE 100 -3.223 6.937 4.721 783 HG21 ILE 100 HG21 ILE 100 -1.245 5.823 3.963 784 HG22 ILE 100 HG22 ILE 100 -0.021 6.968 3.416 785 HG23 ILE 100 HG23 ILE 100 -0.895 5.985 2.242 786 HD11 ILE 100 HD11 ILE 100 -1.372 7.313 5.997 787 HD12 ILE 100 HD12 ILE 100 -2.243 8.826 6.250 788 HD13 ILE 100 HD13 ILE 100 -0.909 8.758 5.099 789 H LYS 101 HN LYS 101 -2.736 8.454 0.419 790 HA LYS 101 HA LYS 101 -0.784 7.325 -1.230 791 HB2 LYS 101 HB2 LYS 101 -3.240 7.195 -1.612 792 HB3 LYS 101 HB1 LYS 101 -3.223 8.883 -2.104 793 HG2 LYS 101 HG2 LYS 101 -1.337 7.908 -3.750 794 HG3 LYS 101 HG1 LYS 101 -2.349 6.475 -3.556 795 HD2 LYS 101 HD2 LYS 101 -3.788 9.001 -4.044 796 HD3 LYS 101 HD1 LYS 101 -2.805 8.408 -5.385 797 HE2 LYS 101 HE2 LYS 101 -3.962 6.139 -4.897 798 HE3 LYS 101 HE1 LYS 101 -5.150 7.121 -4.042 799 HZ1 LYS 101 HZ1 LYS 101 -4.639 6.893 -6.892 800 HZ2 LYS 101 HZ2 LYS 101 -4.976 8.453 -6.333 801 HZ3 LYS 101 HZ3 LYS 101 -6.086 7.203 -6.071 802 H MET 102 HN MET 102 -1.971 10.676 -1.092 803 HA MET 102 HA MET 102 -0.365 11.718 -3.126 804 HB2 MET 102 HB2 MET 102 -2.262 12.931 -2.153 805 HB3 MET 102 HB1 MET 102 -1.387 13.099 -0.638 806 HG2 MET 102 HG2 MET 102 0.064 14.668 -1.490 807 HG3 MET 102 HG1 MET 102 -0.185 14.148 -3.156 808 HE1 MET 102 HE1 MET 102 -2.742 16.104 -0.257 809 HE2 MET 102 HE2 MET 102 -1.867 17.482 -0.926 810 HE3 MET 102 HE3 MET 102 -0.978 16.100 -0.283 811 H THR 103 HN THR 103 0.249 11.414 0.350 812 HA THR 103 HA THR 103 2.797 12.685 0.258 813 HB THR 103 HB THR 103 1.629 10.818 2.332 814 HG1 THR 103 HG1 THR 103 1.590 13.630 2.044 815 HG21 THR 103 HG21 THR 103 3.285 12.591 3.621 816 HG22 THR 103 HG22 THR 103 4.205 12.137 2.186 817 HG23 THR 103 HG23 THR 103 3.626 10.892 3.293 818 H LEU 104 HN LEU 104 1.673 9.430 -0.242 819 HA LEU 104 HA LEU 104 4.262 8.213 0.021 820 HB2 LEU 104 HB2 LEU 104 1.522 7.339 -0.551 821 HB3 LEU 104 HB1 LEU 104 2.748 6.431 -1.415 822 HG LEU 104 HG LEU 104 3.829 6.341 1.032 823 HD11 LEU 104 HD11 LEU 104 2.126 7.614 2.141 824 HD12 LEU 104 HD12 LEU 104 2.003 5.934 2.664 825 HD13 LEU 104 HD13 LEU 104 0.860 6.577 1.484 826 HD21 LEU 104 HD21 LEU 104 1.581 4.497 0.259 827 HD22 LEU 104 HD22 LEU 104 3.031 4.119 1.189 828 HD23 LEU 104 HD23 LEU 104 3.157 4.477 -0.533 829 H GLN 105 HN GLN 105 2.379 9.625 -2.546 830 HA GLN 105 HA GLN 105 3.861 8.503 -4.707 831 HB2 GLN 105 HB2 GLN 105 2.003 10.868 -4.498 832 HB3 GLN 105 HB1 GLN 105 2.785 10.414 -6.005 833 HG2 GLN 105 HG2 GLN 105 1.709 8.048 -5.261 834 HG3 GLN 105 HG1 GLN 105 0.531 9.178 -4.595 835 HE21 GLN 105 HE21 GLN 105 -0.496 7.660 -6.409 836 HE22 GLN 105 HE22 GLN 105 -0.660 8.443 -7.940 837 H GLN 106 HN GLN 106 4.225 11.315 -2.672 838 HA GLN 106 HA GLN 106 6.121 12.649 -4.341 839 HB2 GLN 106 HB2 GLN 106 6.443 14.154 -2.479 840 HB3 GLN 106 HB1 GLN 106 4.726 13.825 -2.667 841 HG2 GLN 106 HG2 GLN 106 4.560 12.944 -0.632 842 HG3 GLN 106 HG1 GLN 106 6.031 11.994 -0.825 843 HE21 GLN 106 HE21 GLN 106 8.017 12.898 -0.241 844 HE22 GLN 106 HE22 GLN 106 8.119 14.274 0.798 845 H ILE 107 HN ILE 107 6.306 10.213 -1.862 846 HA ILE 107 HA ILE 107 9.095 10.501 -1.327 847 HB ILE 107 HB ILE 107 7.381 8.056 -0.880 848 HG12 ILE 107 HG12 ILE 107 8.001 10.059 1.257 849 HG13 ILE 107 HG11 ILE 107 6.682 10.385 0.137 850 HG21 ILE 107 HG21 ILE 107 9.445 7.246 -0.432 851 HG22 ILE 107 HG22 ILE 107 9.166 8.042 1.117 852 HG23 ILE 107 HG23 ILE 107 10.126 8.843 -0.126 853 HD11 ILE 107 HD11 ILE 107 6.058 7.880 0.845 854 HD12 ILE 107 HD12 ILE 107 5.488 9.309 1.708 855 HD13 ILE 107 HD13 ILE 107 6.882 8.411 2.310 856 H ILE 108 HN ILE 108 7.177 8.455 -3.476 857 HA ILE 108 HA ILE 108 9.420 6.926 -4.390 858 HB ILE 108 HB ILE 108 6.746 7.237 -5.755 859 HG12 ILE 108 HG12 ILE 108 7.499 5.057 -3.813 860 HG13 ILE 108 HG11 ILE 108 6.688 6.530 -3.291 861 HG21 ILE 108 HG21 ILE 108 7.322 5.514 -7.096 862 HG22 ILE 108 HG22 ILE 108 8.266 4.710 -5.841 863 HG23 ILE 108 HG23 ILE 108 8.957 6.067 -6.731 864 HD11 ILE 108 HD11 ILE 108 5.562 4.172 -4.383 865 HD12 ILE 108 HD12 ILE 108 5.253 5.503 -5.498 866 HD13 ILE 108 HD13 ILE 108 4.745 5.627 -3.813 867 H SER 109 HN SER 109 7.665 9.757 -5.539 868 HA SER 109 HA SER 109 8.871 9.914 -8.087 869 HB2 SER 109 HB2 SER 109 7.385 11.832 -6.331 870 HB3 SER 109 HB1 SER 109 8.227 12.447 -7.753 871 HG SER 109 HG SER 109 6.399 10.285 -7.844 872 H ARG 110 HN ARG 110 9.864 10.976 -4.912 873 HA ARG 110 HA ARG 110 11.970 12.684 -5.824 874 HB2 ARG 110 HB2 ARG 110 11.344 11.464 -3.136 875 HB3 ARG 110 HB1 ARG 110 12.722 12.522 -3.408 876 HG2 ARG 110 HG2 ARG 110 11.384 14.381 -3.781 877 HG3 ARG 110 HG1 ARG 110 9.958 13.403 -4.135 878 HD2 ARG 110 HD2 ARG 110 9.738 14.446 -1.958 879 HD3 ARG 110 HD1 ARG 110 9.876 12.697 -1.784 880 HE ARG 110 HE ARG 110 11.849 12.995 -0.661 881 HH11 ARG 110 HH11 ARG 110 11.004 15.972 -2.274 882 HH12 ARG 110 HH12 ARG 110 12.253 16.890 -1.504 883 HH21 ARG 110 HH21 ARG 110 13.493 14.202 0.353 884 HH22 ARG 110 HH22 ARG 110 13.667 15.886 -0.013 885 H TYR 111 HN TYR 111 11.676 9.303 -4.988 886 HA TYR 111 HA TYR 111 14.568 8.933 -5.299 887 HB2 TYR 111 HB2 TYR 111 12.503 6.928 -4.380 888 HB3 TYR 111 HB1 TYR 111 14.252 6.747 -4.305 889 HD1 TYR 111 HD1 TYR 111 15.030 9.422 -3.274 890 HD2 TYR 111 HD2 TYR 111 11.849 6.836 -2.137 891 HE1 TYR 111 HE1 TYR 111 15.038 10.412 -1.023 892 HE2 TYR 111 HE2 TYR 111 11.847 7.819 0.117 893 HH TYR 111 HH TYR 111 12.652 10.257 1.063 894 H LYS 112 HN LYS 112 12.190 9.193 -7.376 895 HA LYS 112 HA LYS 112 12.391 6.729 -8.841 896 HB2 LYS 112 HB2 LYS 112 10.938 9.292 -9.128 897 HB3 LYS 112 HB1 LYS 112 11.295 8.438 -10.623 898 HG2 LYS 112 HG2 LYS 112 10.131 6.848 -8.418 899 HG3 LYS 112 HG1 LYS 112 9.079 8.020 -9.215 900 HD2 LYS 112 HD2 LYS 112 10.013 6.951 -11.403 901 HD3 LYS 112 HD1 LYS 112 10.424 5.600 -10.344 902 HE2 LYS 112 HE2 LYS 112 8.091 5.449 -9.630 903 HE3 LYS 112 HE1 LYS 112 7.679 6.806 -10.678 904 HZ1 LYS 112 HZ1 LYS 112 7.809 5.535 -12.531 905 HZ2 LYS 112 HZ2 LYS 112 7.404 4.307 -11.441 906 HZ3 LYS 112 HZ3 LYS 112 9.014 4.522 -11.912 907 H ASP 113 HN ASP 113 13.658 10.019 -9.205 908 HA ASP 113 HA ASP 113 15.396 9.056 -11.373 909 HB2 ASP 113 HB2 ASP 113 14.298 11.759 -10.679 910 HB3 ASP 113 HB1 ASP 113 15.763 11.626 -11.646 911 H ALA 114 HN ALA 114 15.622 9.128 -8.219 912 HA ALA 114 HA ALA 114 17.283 9.337 -6.678 913 HB1 ALA 114 HB1 ALA 114 18.339 8.018 -8.747 914 HB2 ALA 114 HB2 ALA 114 19.258 8.414 -7.295 915 HB3 ALA 114 HB3 ALA 114 19.407 9.421 -8.734 916 H ASP 115 HN ASP 115 16.132 11.770 -7.643 917 HA ASP 115 HA ASP 115 18.423 13.612 -7.576 918 HB2 ASP 115 HB2 ASP 115 16.624 13.671 -9.453 919 HB3 ASP 115 HB1 ASP 115 15.612 14.443 -8.236 920 H1 ASP 453 HN ASP 453 -17.190 -13.958 -3.212 921 HA ASP 453 HA ASP 453 -16.634 -14.166 -6.067 922 HB2 ASP 453 HB2 ASP 453 -19.333 -13.784 -4.872 923 HB3 ASP 453 HB1 ASP 453 -18.934 -12.819 -6.290 924 H LEU 454 HN LEU 454 -15.378 -12.795 -3.841 925 HA LEU 454 HA LEU 454 -15.897 -9.986 -4.552 926 HB2 LEU 454 HB2 LEU 454 -14.638 -11.199 -2.094 927 HB3 LEU 454 HB1 LEU 454 -14.652 -9.478 -2.429 928 HG LEU 454 HG LEU 454 -17.255 -9.843 -2.590 929 HD11 LEU 454 HD11 LEU 454 -17.662 -12.061 -2.306 930 HD12 LEU 454 HD12 LEU 454 -17.694 -11.557 -0.616 931 HD13 LEU 454 HD13 LEU 454 -16.244 -12.306 -1.286 932 HD21 LEU 454 HD21 LEU 454 -17.173 -9.687 0.063 933 HD22 LEU 454 HD22 LEU 454 -16.676 -8.352 -0.976 934 HD23 LEU 454 HD23 LEU 454 -15.462 -9.418 -0.269 935 H ASP 455 HN ASP 455 -13.473 -12.492 -4.368 936 HA ASP 455 HA ASP 455 -11.163 -10.951 -4.698 937 HB2 ASP 455 HB2 ASP 455 -10.220 -13.072 -5.738 938 HB3 ASP 455 HB1 ASP 455 -10.890 -13.237 -4.118 939 H GLU 456 HN GLU 456 -13.450 -12.225 -7.063 940 HA GLU 456 HA GLU 456 -12.006 -11.637 -9.389 941 HB2 GLU 456 HB2 GLU 456 -14.352 -12.862 -8.910 942 HB3 GLU 456 HB1 GLU 456 -14.953 -11.307 -9.467 943 HG2 GLU 456 HG2 GLU 456 -13.350 -11.653 -11.455 944 HG3 GLU 456 HG1 GLU 456 -13.337 -13.340 -10.944 945 H SER 457 HN SER 457 -14.500 -9.715 -7.722 946 HA SER 457 HA SER 457 -14.171 -7.459 -9.441 947 HB2 SER 457 HB2 SER 457 -15.580 -6.293 -7.702 948 HB3 SER 457 HB1 SER 457 -16.301 -7.754 -8.378 949 HG SER 457 HG SER 457 -14.797 -7.773 -5.982 950 H TRP 458 HN TRP 458 -12.744 -8.509 -6.441 951 HA TRP 458 HA TRP 458 -11.723 -6.097 -5.488 952 HB2 TRP 458 HB2 TRP 458 -11.270 -8.931 -5.016 953 HB3 TRP 458 HB1 TRP 458 -9.786 -7.997 -4.859 954 HD1 TRP 458 HD1 TRP 458 -9.636 -8.205 -2.236 955 HE1 TRP 458 HE1 TRP 458 -11.005 -7.185 -0.309 956 HE3 TRP 458 HE3 TRP 458 -13.641 -6.481 -4.907 957 HZ2 TRP 458 HZ2 TRP 458 -13.457 -5.829 0.033 958 HZ3 TRP 458 HZ3 TRP 458 -15.455 -5.334 -3.704 959 HH2 TRP 458 HH2 TRP 458 -15.364 -5.016 -1.285 960 H ASP 459 HN ASP 459 -10.690 -8.099 -8.132 961 HA ASP 459 HA ASP 459 -8.082 -6.916 -8.366 962 HB2 ASP 459 HB2 ASP 459 -8.985 -9.254 -9.204 963 HB3 ASP 459 HB1 ASP 459 -9.394 -8.332 -10.647 964 H TYR 460 HN TYR 460 -11.267 -6.278 -9.624 965 HA TYR 460 HA TYR 460 -10.290 -4.436 -11.641 966 HB2 TYR 460 HB2 TYR 460 -12.921 -5.591 -10.895 967 HB3 TYR 460 HB1 TYR 460 -12.941 -4.000 -11.649 968 HD1 TYR 460 HD2 TYR 460 -11.878 -7.514 -12.121 969 HD2 TYR 460 HD1 TYR 460 -12.564 -3.747 -13.974 970 HE1 TYR 460 HE2 TYR 460 -11.655 -8.568 -14.331 971 HE2 TYR 460 HE1 TYR 460 -12.343 -4.790 -16.190 972 HH TYR 460 HH TYR 460 -11.347 -6.758 -17.208 973 H ILE 461 HN ILE 461 -12.011 -4.295 -8.551 974 HA ILE 461 HA ILE 461 -12.564 -1.572 -8.466 975 HB ILE 461 HB ILE 461 -13.443 -3.178 -6.829 976 HG12 ILE 461 HG12 ILE 461 -11.859 -0.905 -5.609 977 HG13 ILE 461 HG11 ILE 461 -13.484 -0.797 -6.279 978 HG21 ILE 461 HG21 ILE 461 -11.230 -4.387 -6.595 979 HG22 ILE 461 HG22 ILE 461 -12.148 -4.137 -5.110 980 HG23 ILE 461 HG23 ILE 461 -10.762 -3.109 -5.474 981 HD11 ILE 461 HD11 ILE 461 -12.610 -2.247 -3.799 982 HD12 ILE 461 HD12 ILE 461 -14.207 -2.434 -4.526 983 HD13 ILE 461 HD13 ILE 461 -13.690 -0.859 -3.924 984 H PHE 462 HN PHE 462 -9.563 -3.267 -7.954 985 HA PHE 462 HA PHE 462 -8.263 -0.770 -7.109 986 HB2 PHE 462 HB2 PHE 462 -7.395 -3.653 -6.881 987 HB3 PHE 462 HB1 PHE 462 -6.352 -2.290 -6.489 988 HD1 PHE 462 HD1 PHE 462 -7.838 -0.466 -4.986 989 HD2 PHE 462 HD2 PHE 462 -8.182 -4.708 -5.010 990 HE1 PHE 462 HE1 PHE 462 -8.773 -0.399 -2.712 991 HE2 PHE 462 HE2 PHE 462 -9.119 -4.649 -2.736 992 HZ PHE 462 HZ PHE 462 -9.416 -2.492 -1.584 993 H GLU 463 HN GLU 463 -9.002 -1.976 -9.923 994 HA GLU 463 HA GLU 463 -6.338 -1.865 -11.130 995 HB2 GLU 463 HB2 GLU 463 -8.530 -3.472 -11.641 996 HB3 GLU 463 HB1 GLU 463 -8.587 -2.296 -12.946 997 HG2 GLU 463 HG2 GLU 463 -7.337 -4.177 -13.691 998 HG3 GLU 463 HG1 GLU 463 -6.219 -2.834 -13.457 999 H THR 464 HN THR 464 -9.578 -0.475 -11.668 1000 HA THR 464 HA THR 464 -8.807 1.438 -13.556 1001 HB THR 464 HB THR 464 -11.026 1.926 -11.590 1002 HG1 THR 464 HG1 THR 464 -11.701 -0.001 -12.093 1003 HG21 THR 464 HG21 THR 464 -10.354 3.381 -13.710 1004 HG22 THR 464 HG22 THR 464 -12.025 3.161 -13.190 1005 HG23 THR 464 HG23 THR 464 -11.376 2.186 -14.509 1006 H THR 465 HN THR 465 -8.278 3.612 -13.411 1007 HA THR 465 HA THR 465 -8.022 4.944 -10.885 1008 HB THR 465 HB THR 465 -5.396 4.788 -12.244 1009 HG1 THR 465 HG1 THR 465 -5.178 2.732 -12.018 1010 HG21 THR 465 HG21 THR 465 -6.018 4.462 -9.329 1011 HG22 THR 465 HG22 THR 465 -5.874 6.040 -10.104 1012 HG23 THR 465 HG23 THR 465 -4.497 4.939 -10.083 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -2.116 13.478 10.575 2 H3 PRO 1 HT2 PRO 1 -3.751 13.340 10.454 3 HA PRO 1 HA PRO 1 -4.108 15.388 10.453 4 HB2 PRO 1 HB2 PRO 1 -2.140 16.648 12.049 5 HB3 PRO 1 HB1 PRO 1 -3.835 16.357 12.462 6 HG2 PRO 1 HG2 PRO 1 -1.421 14.763 13.142 7 HG3 PRO 1 HG1 PRO 1 -2.913 15.000 14.069 8 HD2 PRO 1 HD2 PRO 1 -2.441 12.689 12.826 9 HD3 PRO 1 HD1 PRO 1 -4.074 13.384 12.849 10 H SER 2 HN SER 2 -0.587 15.011 10.928 11 HA SER 2 HA SER 2 -0.181 16.474 8.405 12 HB2 SER 2 HB2 SER 2 1.551 16.218 10.865 13 HB3 SER 2 HB1 SER 2 2.166 16.842 9.334 14 HG SER 2 HG SER 2 1.463 18.652 10.203 15 H HIS 3 HN HIS 3 1.860 14.248 10.286 16 HA HIS 3 HA HIS 3 2.376 12.766 7.798 17 HB2 HIS 3 HB2 HIS 3 4.019 13.294 10.249 18 HB3 HIS 3 HB1 HIS 3 4.352 11.870 9.268 19 HD1 HIS 3 HD1 HIS 3 3.522 15.404 8.135 20 HD2 HIS 3 HD2 HIS 3 6.561 12.583 7.868 21 HE1 HIS 3 HE1 HIS 3 5.233 16.405 6.588 22 HE2 HIS 3 HE2 HIS 3 7.020 14.642 6.371 23 H SER 4 HN SER 4 0.001 12.258 9.194 24 HA SER 4 HA SER 4 0.227 9.438 9.571 25 HB2 SER 4 HB2 SER 4 -0.346 9.252 11.875 26 HB3 SER 4 HB1 SER 4 0.991 10.400 11.800 27 HG SER 4 HG SER 4 -1.402 10.774 12.843 28 H GLY 5 HN GLY 5 -1.783 8.389 9.561 29 HA2 GLY 5 HA2 GLY 5 -4.215 9.970 9.622 30 HA3 GLY 5 HA1 GLY 5 -3.798 9.314 8.046 31 H ALA 6 HN ALA 6 -6.041 8.786 9.988 32 HA ALA 6 HA ALA 6 -5.763 6.221 11.096 33 HB1 ALA 6 HB1 ALA 6 -8.445 6.991 10.141 34 HB2 ALA 6 HB2 ALA 6 -7.658 8.121 11.244 35 HB3 ALA 6 HB3 ALA 6 -7.917 6.447 11.733 36 H ALA 7 HN ALA 7 -4.992 4.633 9.801 37 HA ALA 7 HA ALA 7 -6.465 4.083 7.308 38 HB1 ALA 7 HB1 ALA 7 -3.968 4.649 7.205 39 HB2 ALA 7 HB2 ALA 7 -4.523 3.217 6.339 40 HB3 ALA 7 HB3 ALA 7 -3.712 3.047 7.896 41 H ILE 8 HN ILE 8 -7.366 2.109 7.002 42 HA ILE 8 HA ILE 8 -7.322 0.284 9.291 43 HB ILE 8 HB ILE 8 -9.174 0.211 6.909 44 HG12 ILE 8 HG12 ILE 8 -10.821 1.153 8.663 45 HG13 ILE 8 HG11 ILE 8 -9.380 1.639 9.551 46 HG21 ILE 8 HG21 ILE 8 -9.785 -0.930 9.595 47 HG22 ILE 8 HG22 ILE 8 -8.741 -1.824 8.490 48 HG23 ILE 8 HG23 ILE 8 -10.384 -1.406 8.007 49 HD11 ILE 8 HD11 ILE 8 -9.608 2.412 6.693 50 HD12 ILE 8 HD12 ILE 8 -8.824 3.247 8.035 51 HD13 ILE 8 HD13 ILE 8 -10.581 3.270 7.888 52 H PHE 9 HN PHE 9 -6.604 -1.781 9.173 53 HA PHE 9 HA PHE 9 -5.782 -2.828 6.558 54 HB2 PHE 9 HB2 PHE 9 -3.844 -1.782 7.856 55 HB3 PHE 9 HB1 PHE 9 -4.036 -3.105 9.001 56 HD1 PHE 9 HD1 PHE 9 -4.017 -2.841 5.275 57 HD2 PHE 9 HD2 PHE 9 -2.415 -4.698 8.753 58 HE1 PHE 9 HE1 PHE 9 -2.601 -4.268 3.856 59 HE2 PHE 9 HE2 PHE 9 -0.995 -6.127 7.341 60 HZ PHE 9 HZ PHE 9 -1.087 -5.913 4.889 61 H GLU 10 HN GLU 10 -6.787 -4.690 6.254 62 HA GLU 10 HA GLU 10 -7.705 -6.739 6.598 63 HB2 GLU 10 HB2 GLU 10 -5.584 -6.584 8.666 64 HB3 GLU 10 HB1 GLU 10 -6.796 -7.841 8.874 65 HG2 GLU 10 HG2 GLU 10 -6.186 -8.149 6.259 66 HG3 GLU 10 HG1 GLU 10 -4.640 -7.599 6.903 67 H LYS 11 HN LYS 11 -9.369 -4.782 7.217 68 HA LYS 11 HA LYS 11 -11.253 -4.236 8.369 69 HB2 LYS 11 HB2 LYS 11 -10.895 -7.120 9.141 70 HB3 LYS 11 HB1 LYS 11 -12.239 -6.171 9.761 71 HG2 LYS 11 HG2 LYS 11 -13.294 -6.962 7.947 72 HG3 LYS 11 HG1 LYS 11 -12.457 -5.641 7.129 73 HD2 LYS 11 HD2 LYS 11 -11.770 -7.300 5.757 74 HD3 LYS 11 HD1 LYS 11 -10.554 -7.540 7.013 75 HE2 LYS 11 HE2 LYS 11 -13.201 -8.944 7.120 76 HE3 LYS 11 HE1 LYS 11 -11.867 -9.586 6.163 77 HZ1 LYS 11 HZ1 LYS 11 -11.795 -10.601 8.292 78 HZ2 LYS 11 HZ2 LYS 11 -11.909 -9.115 9.091 79 HZ3 LYS 11 HZ3 LYS 11 -10.508 -9.505 8.228 80 H VAL 12 HN VAL 12 -8.647 -3.683 9.581 81 HA VAL 12 HA VAL 12 -9.478 -3.592 12.409 82 HB VAL 12 HB VAL 12 -6.647 -3.729 11.358 83 HG11 VAL 12 HG11 VAL 12 -6.091 -4.029 13.785 84 HG12 VAL 12 HG12 VAL 12 -7.750 -3.559 14.157 85 HG13 VAL 12 HG13 VAL 12 -6.670 -2.421 13.352 86 HG21 VAL 12 HG21 VAL 12 -7.363 -5.899 11.131 87 HG22 VAL 12 HG22 VAL 12 -8.522 -5.769 12.453 88 HG23 VAL 12 HG23 VAL 12 -6.800 -5.913 12.802 89 H SER 13 HN SER 13 -9.707 -1.636 13.257 90 HA SER 13 HA SER 13 -9.076 0.692 11.657 91 HB2 SER 13 HB2 SER 13 -10.105 1.056 14.410 92 HB3 SER 13 HB1 SER 13 -10.639 1.790 12.899 93 HG SER 13 HG SER 13 -12.161 0.360 12.854 94 H GLY 14 HN GLY 14 -7.041 1.409 11.689 95 HA2 GLY 14 HA2 GLY 14 -5.816 1.931 14.302 96 HA3 GLY 14 HA1 GLY 14 -4.909 0.979 13.136 97 H ILE 15 HN ILE 15 -3.760 3.227 14.054 98 HA ILE 15 HA ILE 15 -4.175 5.238 11.945 99 HB ILE 15 HB ILE 15 -2.585 5.667 14.465 100 HG12 ILE 15 HG12 ILE 15 -4.812 5.037 15.185 101 HG13 ILE 15 HG11 ILE 15 -4.614 6.775 15.387 102 HG21 ILE 15 HG21 ILE 15 -3.052 8.029 13.996 103 HG22 ILE 15 HG22 ILE 15 -3.928 7.559 12.540 104 HG23 ILE 15 HG23 ILE 15 -2.196 7.249 12.666 105 HD11 ILE 15 HD11 ILE 15 -6.816 5.986 14.446 106 HD12 ILE 15 HD12 ILE 15 -5.933 5.572 12.976 107 HD13 ILE 15 HD13 ILE 15 -5.983 7.245 13.534 108 H ILE 16 HN ILE 16 -2.575 5.726 10.542 109 HA ILE 16 HA ILE 16 -0.115 4.145 10.743 110 HB ILE 16 HB ILE 16 -1.782 4.353 8.638 111 HG12 ILE 16 HG12 ILE 16 1.147 4.169 8.054 112 HG13 ILE 16 HG11 ILE 16 0.400 2.978 9.114 113 HG21 ILE 16 HG21 ILE 16 -1.155 5.894 7.028 114 HG22 ILE 16 HG22 ILE 16 0.405 6.209 7.789 115 HG23 ILE 16 HG23 ILE 16 -1.075 6.838 8.516 116 HD11 ILE 16 HD11 ILE 16 -1.316 3.032 6.986 117 HD12 ILE 16 HD12 ILE 16 -0.027 1.855 7.242 118 HD13 ILE 16 HD13 ILE 16 0.257 3.267 6.223 119 H ALA 17 HN ALA 17 1.920 5.073 10.589 120 HA ALA 17 HA ALA 17 2.092 7.992 10.482 121 HB1 ALA 17 HB1 ALA 17 3.519 6.480 12.650 122 HB2 ALA 17 HB2 ALA 17 1.915 7.174 12.885 123 HB3 ALA 17 HB3 ALA 17 3.280 8.220 12.496 124 H ILE 18 HN ILE 18 3.574 8.515 9.029 125 HA ILE 18 HA ILE 18 5.587 6.571 8.235 126 HB ILE 18 HB ILE 18 5.133 9.323 7.085 127 HG12 ILE 18 HG12 ILE 18 3.954 6.677 6.204 128 HG13 ILE 18 HG11 ILE 18 3.064 7.991 6.967 129 HG21 ILE 18 HG21 ILE 18 6.871 7.038 6.438 130 HG22 ILE 18 HG22 ILE 18 7.086 8.758 6.116 131 HG23 ILE 18 HG23 ILE 18 6.054 7.787 5.066 132 HD11 ILE 18 HD11 ILE 18 2.664 8.845 4.972 133 HD12 ILE 18 HD12 ILE 18 3.623 7.573 4.216 134 HD13 ILE 18 HD13 ILE 18 4.395 9.073 4.729 135 H ASN 19 HN ASN 19 7.733 6.736 8.599 136 HA ASN 19 HA ASN 19 8.622 8.977 10.282 137 HB2 ASN 19 HB2 ASN 19 8.791 6.381 10.892 138 HB3 ASN 19 HB1 ASN 19 10.290 6.530 9.981 139 HD21 ASN 19 HD21 ASN 19 11.136 5.932 12.145 140 HD22 ASN 19 HD22 ASN 19 11.484 7.213 13.251 141 H GLU 20 HN GLU 20 9.612 10.514 9.153 142 HA GLU 20 HA GLU 20 11.184 9.781 6.793 143 HB2 GLU 20 HB2 GLU 20 10.009 12.371 7.772 144 HB3 GLU 20 HB1 GLU 20 11.237 12.343 6.514 145 HG2 GLU 20 HG2 GLU 20 8.993 10.516 6.065 146 HG3 GLU 20 HG1 GLU 20 8.563 12.226 6.083 147 H ASP 21 HN ASP 21 12.118 9.313 9.539 148 HA ASP 21 HA ASP 21 14.233 11.267 9.925 149 HB2 ASP 21 HB2 ASP 21 12.837 10.016 11.763 150 HB3 ASP 21 HB1 ASP 21 14.014 8.731 11.507 151 H VAL 22 HN VAL 22 13.800 8.005 8.751 152 HA VAL 22 HA VAL 22 16.698 7.743 8.348 153 HB VAL 22 HB VAL 22 15.525 5.907 9.551 154 HG11 VAL 22 HG11 VAL 22 13.551 6.208 7.718 155 HG12 VAL 22 HG12 VAL 22 13.758 4.787 8.741 156 HG13 VAL 22 HG13 VAL 22 14.384 4.785 7.093 157 HG21 VAL 22 HG21 VAL 22 17.454 5.739 7.545 158 HG22 VAL 22 HG22 VAL 22 16.351 4.398 7.242 159 HG23 VAL 22 HG23 VAL 22 17.129 4.561 8.815 160 H SER 23 HN SER 23 17.542 7.206 6.317 161 HA SER 23 HA SER 23 16.564 8.527 4.125 162 HB2 SER 23 HB2 SER 23 18.526 6.325 4.498 163 HB3 SER 23 HB1 SER 23 17.969 6.634 2.854 164 HG SER 23 HG SER 23 19.749 8.005 4.292 165 HA PRO 24 HA PRO 24 14.674 4.461 2.234 166 HB2 PRO 24 HB2 PRO 24 14.288 2.433 4.068 167 HB3 PRO 24 HB1 PRO 24 15.642 2.523 2.939 168 HG2 PRO 24 HG2 PRO 24 15.522 3.309 5.821 169 HG3 PRO 24 HG1 PRO 24 16.815 2.475 4.939 170 HD2 PRO 24 HD2 PRO 24 16.993 5.081 5.528 171 HD3 PRO 24 HD1 PRO 24 17.605 4.442 3.989 172 H ALA 25 HN ALA 25 14.004 5.731 5.380 173 HA ALA 25 HA ALA 25 12.077 6.364 6.411 174 HB1 ALA 25 HB1 ALA 25 11.194 7.611 4.748 175 HB2 ALA 25 HB2 ALA 25 10.011 6.304 4.688 176 HB3 ALA 25 HB3 ALA 25 11.359 6.326 3.551 177 H GLU 26 HN GLU 26 9.802 5.587 6.965 178 HA GLU 26 HA GLU 26 9.242 2.811 6.414 179 HB2 GLU 26 HB2 GLU 26 10.259 3.723 9.089 180 HB3 GLU 26 HB1 GLU 26 9.180 2.341 8.961 181 HG2 GLU 26 HG2 GLU 26 10.856 1.416 7.272 182 HG3 GLU 26 HG1 GLU 26 11.955 2.654 7.878 183 H LEU 27 HN LEU 27 7.146 2.210 6.923 184 HA LEU 27 HA LEU 27 5.405 4.402 7.846 185 HB2 LEU 27 HB2 LEU 27 4.966 3.878 5.545 186 HB3 LEU 27 HB1 LEU 27 4.887 2.163 5.895 187 HG LEU 27 HG LEU 27 2.934 4.000 7.211 188 HD11 LEU 27 HD11 LEU 27 2.063 2.816 4.670 189 HD12 LEU 27 HD12 LEU 27 3.212 4.146 4.520 190 HD13 LEU 27 HD13 LEU 27 1.692 4.386 5.381 191 HD21 LEU 27 HD21 LEU 27 3.342 1.163 6.894 192 HD22 LEU 27 HD22 LEU 27 1.744 1.639 6.322 193 HD23 LEU 27 HD23 LEU 27 2.243 2.028 7.968 194 H THR 28 HN THR 28 4.749 4.075 9.866 195 HA THR 28 HA THR 28 4.436 1.339 10.856 196 HB THR 28 HB THR 28 4.182 3.826 12.527 197 HG1 THR 28 HG1 THR 28 6.323 3.990 12.675 198 HG21 THR 28 HG21 THR 28 5.525 1.327 13.403 199 HG22 THR 28 HG22 THR 28 3.763 1.369 13.330 200 HG23 THR 28 HG23 THR 28 4.633 2.524 14.341 201 H TRP 29 HN TRP 29 2.542 0.612 11.843 202 HA TRP 29 HA TRP 29 0.164 2.306 11.578 203 HB2 TRP 29 HB2 TRP 29 0.150 0.971 9.568 204 HB3 TRP 29 HB1 TRP 29 0.456 -0.499 10.486 205 HD1 TRP 29 HD1 TRP 29 -2.333 2.188 10.189 206 HE1 TRP 29 HE1 TRP 29 -4.595 1.019 10.563 207 HE3 TRP 29 HE3 TRP 29 -0.649 -2.523 11.242 208 HZ2 TRP 29 HZ2 TRP 29 -5.541 -1.559 11.218 209 HZ3 TRP 29 HZ3 TRP 29 -2.297 -4.282 11.732 210 HH2 TRP 29 HH2 TRP 29 -4.692 -3.809 11.720 211 H ARG 30 HN ARG 30 -0.472 2.500 13.631 212 HA ARG 30 HA ARG 30 -0.421 0.120 15.356 213 HB2 ARG 30 HB2 ARG 30 -0.183 3.045 15.870 214 HB3 ARG 30 HB1 ARG 30 -0.931 2.052 17.114 215 HG2 ARG 30 HG2 ARG 30 1.188 0.562 16.792 216 HG3 ARG 30 HG1 ARG 30 1.873 2.038 16.107 217 HD2 ARG 30 HD2 ARG 30 0.819 3.080 18.316 218 HD3 ARG 30 HD1 ARG 30 1.053 1.431 18.894 219 HE ARG 30 HE ARG 30 3.287 1.854 19.012 220 HH11 ARG 30 HH11 ARG 30 1.857 4.153 16.810 221 HH12 ARG 30 HH12 ARG 30 3.325 5.042 16.587 222 HH21 ARG 30 HH21 ARG 30 5.220 3.023 18.720 223 HH22 ARG 30 HH22 ARG 30 5.235 4.401 17.670 224 H SER 31 HN SER 31 -2.271 -0.839 15.877 225 HA SER 31 HA SER 31 -4.742 -0.101 14.817 226 HB2 SER 31 HB2 SER 31 -4.526 -2.362 15.428 227 HB3 SER 31 HB1 SER 31 -3.951 -1.963 17.046 228 HG SER 31 HG SER 31 -6.133 -2.659 17.049 229 H THR 32 HN THR 32 -6.721 0.475 15.999 230 HA THR 32 HA THR 32 -6.468 2.893 17.368 231 HB THR 32 HB THR 32 -8.503 2.238 16.171 232 HG1 THR 32 HG1 THR 32 -8.996 2.656 18.931 233 HG21 THR 32 HG21 THR 32 -9.312 0.497 18.455 234 HG22 THR 32 HG22 THR 32 -8.430 -0.172 17.082 235 HG23 THR 32 HG23 THR 32 -9.992 0.607 16.832 236 H ASP 33 HN ASP 33 -6.634 -0.396 18.545 237 HA ASP 33 HA ASP 33 -6.759 0.530 21.316 238 HB2 ASP 33 HB2 ASP 33 -7.212 -2.091 19.953 239 HB3 ASP 33 HB1 ASP 33 -6.731 -2.095 21.647 240 H GLY 34 HN GLY 34 -4.656 -1.223 19.088 241 HA2 GLY 34 HA2 GLY 34 -2.267 -0.934 19.242 242 HA3 GLY 34 HA1 GLY 34 -2.443 -0.785 20.984 243 H ASP 35 HN ASP 35 -3.741 -3.211 18.738 244 HA ASP 35 HA ASP 35 -2.419 -5.275 20.365 245 HB2 ASP 35 HB2 ASP 35 -5.037 -5.143 18.963 246 HB3 ASP 35 HB1 ASP 35 -4.219 -6.703 18.983 247 H LYS 36 HN LYS 36 -3.116 -4.268 17.051 248 HA LYS 36 HA LYS 36 -0.982 -6.082 16.132 249 HB2 LYS 36 HB2 LYS 36 -3.557 -5.262 14.805 250 HB3 LYS 36 HB1 LYS 36 -2.206 -5.901 13.879 251 HG2 LYS 36 HG2 LYS 36 -2.371 -8.004 14.849 252 HG3 LYS 36 HG1 LYS 36 -3.293 -7.401 16.227 253 HD2 LYS 36 HD2 LYS 36 -5.260 -7.222 14.985 254 HD3 LYS 36 HD1 LYS 36 -4.398 -7.242 13.445 255 HE2 LYS 36 HE2 LYS 36 -4.059 -9.636 15.126 256 HE3 LYS 36 HE1 LYS 36 -5.685 -9.375 14.496 257 HZ1 LYS 36 HZ1 LYS 36 -3.196 -9.520 12.881 258 HZ2 LYS 36 HZ2 LYS 36 -4.744 -9.234 12.264 259 HZ3 LYS 36 HZ3 LYS 36 -4.383 -10.720 12.986 260 H VAL 37 HN VAL 37 0.773 -5.082 15.425 261 HA VAL 37 HA VAL 37 0.537 -2.597 13.925 262 HB VAL 37 HB VAL 37 0.818 -1.875 16.267 263 HG11 VAL 37 HG11 VAL 37 2.427 -4.041 16.563 264 HG12 VAL 37 HG12 VAL 37 2.368 -2.678 17.680 265 HG13 VAL 37 HG13 VAL 37 3.615 -2.744 16.435 266 HG21 VAL 37 HG21 VAL 37 3.170 -0.709 15.767 267 HG22 VAL 37 HG22 VAL 37 1.673 -0.223 14.972 268 HG23 VAL 37 HG23 VAL 37 2.800 -1.300 14.147 269 H HIS 38 HN HIS 38 2.104 -2.344 12.398 270 HA HIS 38 HA HIS 38 4.466 -4.053 12.480 271 HB2 HIS 38 HB2 HIS 38 4.117 -4.951 10.268 272 HB3 HIS 38 HB1 HIS 38 2.705 -5.317 11.251 273 HD1 HIS 38 HD1 HIS 38 2.410 -5.384 8.242 274 HD2 HIS 38 HD2 HIS 38 1.738 -1.971 10.511 275 HE1 HIS 38 HE1 HIS 38 0.896 -3.938 6.849 276 HE2 HIS 38 HE2 HIS 38 0.572 -1.842 8.207 277 H THR 39 HN THR 39 6.186 -3.345 11.162 278 HA THR 39 HA THR 39 5.886 -0.574 10.204 279 HB THR 39 HB THR 39 8.555 -1.713 10.917 280 HG1 THR 39 HG1 THR 39 6.646 -0.766 12.786 281 HG21 THR 39 HG21 THR 39 7.304 1.004 10.962 282 HG22 THR 39 HG22 THR 39 8.747 0.457 10.107 283 HG23 THR 39 HG23 THR 39 8.779 0.647 11.860 284 H VAL 40 HN VAL 40 5.728 -0.582 8.056 285 HA VAL 40 HA VAL 40 7.395 -2.459 6.523 286 HB VAL 40 HB VAL 40 4.974 -2.638 6.115 287 HG11 VAL 40 HG11 VAL 40 4.929 0.082 6.351 288 HG12 VAL 40 HG12 VAL 40 3.618 -0.903 5.703 289 HG13 VAL 40 HG13 VAL 40 4.771 -0.138 4.609 290 HG21 VAL 40 HG21 VAL 40 6.948 -1.974 4.041 291 HG22 VAL 40 HG22 VAL 40 5.263 -1.892 3.526 292 HG23 VAL 40 HG23 VAL 40 5.905 -3.386 4.209 293 H VAL 41 HN VAL 41 8.993 -1.718 5.275 294 HA VAL 41 HA VAL 41 9.655 1.069 5.306 295 HB VAL 41 HB VAL 41 10.944 -1.120 3.672 296 HG11 VAL 41 HG11 VAL 41 12.896 0.658 4.339 297 HG12 VAL 41 HG12 VAL 41 11.506 1.721 4.119 298 HG13 VAL 41 HG13 VAL 41 12.015 0.653 2.811 299 HG21 VAL 41 HG21 VAL 41 10.752 -1.141 6.382 300 HG22 VAL 41 HG22 VAL 41 12.251 -0.241 6.150 301 HG23 VAL 41 HG23 VAL 41 12.078 -1.858 5.467 302 H LEU 42 HN LEU 42 8.903 2.556 3.958 303 HA LEU 42 HA LEU 42 7.188 2.075 1.827 304 HB2 LEU 42 HB2 LEU 42 8.953 4.459 2.374 305 HB3 LEU 42 HB1 LEU 42 7.693 4.432 1.155 306 HG LEU 42 HG LEU 42 7.309 4.179 4.138 307 HD11 LEU 42 HD11 LEU 42 7.121 6.383 2.190 308 HD12 LEU 42 HD12 LEU 42 7.476 6.417 3.917 309 HD13 LEU 42 HD13 LEU 42 5.808 6.267 3.363 310 HD21 LEU 42 HD21 LEU 42 4.830 4.512 3.151 311 HD22 LEU 42 HD22 LEU 42 5.535 2.935 3.508 312 HD23 LEU 42 HD23 LEU 42 5.549 3.554 1.856 313 H SER 43 HN SER 43 10.650 2.030 1.938 314 HA SER 43 HA SER 43 11.307 2.516 -0.718 315 HB2 SER 43 HB2 SER 43 12.761 1.953 1.459 316 HB3 SER 43 HB1 SER 43 12.798 0.364 0.695 317 HG SER 43 HG SER 43 13.972 2.742 -0.091 318 H THR 44 HN THR 44 9.962 -0.341 0.784 319 HA THR 44 HA THR 44 10.484 -2.164 -1.308 320 HB THR 44 HB THR 44 9.811 -2.801 1.008 321 HG1 THR 44 HG1 THR 44 9.624 -4.382 -0.524 322 HG21 THR 44 HG21 THR 44 6.979 -2.796 0.581 323 HG22 THR 44 HG22 THR 44 7.608 -1.149 0.560 324 HG23 THR 44 HG23 THR 44 7.910 -2.190 1.950 325 H ILE 45 HN ILE 45 8.056 0.283 -0.859 326 HA ILE 45 HA ILE 45 6.078 -0.616 -2.610 327 HB ILE 45 HB ILE 45 6.879 2.263 -2.176 328 HG12 ILE 45 HG12 ILE 45 6.544 1.209 -0.019 329 HG13 ILE 45 HG11 ILE 45 5.160 2.236 -0.376 330 HG21 ILE 45 HG21 ILE 45 4.475 2.686 -2.631 331 HG22 ILE 45 HG22 ILE 45 4.298 0.984 -3.059 332 HG23 ILE 45 HG23 ILE 45 5.352 2.028 -4.013 333 HD11 ILE 45 HD11 ILE 45 3.855 0.297 -1.007 334 HD12 ILE 45 HD12 ILE 45 4.504 0.106 0.621 335 HD13 ILE 45 HD13 ILE 45 5.247 -0.750 -0.730 336 H ASP 46 HN ASP 46 5.608 -0.064 -4.784 337 HA ASP 46 HA ASP 46 7.956 0.718 -6.382 338 HB2 ASP 46 HB2 ASP 46 7.337 -1.755 -6.471 339 HB3 ASP 46 HB1 ASP 46 5.870 -1.256 -7.307 340 H LYS 47 HN LYS 47 4.410 0.384 -6.478 341 HA LYS 47 HA LYS 47 4.315 2.918 -7.963 342 HB2 LYS 47 HB2 LYS 47 2.899 2.111 -9.584 343 HB3 LYS 47 HB1 LYS 47 3.874 0.681 -9.282 344 HG2 LYS 47 HG2 LYS 47 1.906 -0.359 -9.114 345 HG3 LYS 47 HG1 LYS 47 1.860 0.333 -7.492 346 HD2 LYS 47 HD2 LYS 47 0.161 1.693 -8.011 347 HD3 LYS 47 HD1 LYS 47 0.908 2.178 -9.535 348 HE2 LYS 47 HE2 LYS 47 0.182 -0.311 -10.187 349 HE3 LYS 47 HE1 LYS 47 -1.047 0.027 -8.969 350 HZ1 LYS 47 HZ1 LYS 47 -0.485 1.732 -11.336 351 HZ2 LYS 47 HZ2 LYS 47 -1.711 1.976 -10.197 352 HZ3 LYS 47 HZ3 LYS 47 -1.762 0.628 -11.216 353 H LEU 48 HN LEU 48 1.984 3.802 -7.961 354 HA LEU 48 HA LEU 48 0.739 3.310 -5.339 355 HB2 LEU 48 HB2 LEU 48 1.546 5.898 -6.608 356 HB3 LEU 48 HB1 LEU 48 0.173 5.856 -5.518 357 HG LEU 48 HG LEU 48 2.686 4.623 -4.537 358 HD11 LEU 48 HD11 LEU 48 3.090 7.172 -3.748 359 HD12 LEU 48 HD12 LEU 48 2.465 7.434 -5.377 360 HD13 LEU 48 HD13 LEU 48 3.892 6.427 -5.131 361 HD21 LEU 48 HD21 LEU 48 1.849 5.149 -2.473 362 HD22 LEU 48 HD22 LEU 48 0.347 4.983 -3.383 363 HD23 LEU 48 HD23 LEU 48 1.008 6.585 -3.056 364 H GLN 49 HN GLN 49 -1.348 2.826 -5.461 365 HA GLN 49 HA GLN 49 -2.979 3.950 -7.609 366 HB2 GLN 49 HB2 GLN 49 -1.999 1.538 -8.078 367 HB3 GLN 49 HB1 GLN 49 -3.314 1.041 -7.023 368 HG2 GLN 49 HG2 GLN 49 -4.947 1.921 -8.484 369 HG3 GLN 49 HG1 GLN 49 -3.735 2.783 -9.431 370 HE21 GLN 49 HE21 GLN 49 -3.649 -0.536 -8.242 371 HE22 GLN 49 HE22 GLN 49 -3.592 -1.284 -9.798 372 H ALA 50 HN ALA 50 -5.017 4.433 -6.992 373 HA ALA 50 HA ALA 50 -5.987 3.357 -4.434 374 HB1 ALA 50 HB1 ALA 50 -4.995 5.857 -4.575 375 HB2 ALA 50 HB2 ALA 50 -6.282 5.375 -3.469 376 HB3 ALA 50 HB3 ALA 50 -6.680 6.167 -4.993 377 H THR 51 HN THR 51 -8.363 3.826 -4.126 378 HA THR 51 HA THR 51 -9.784 2.912 -6.424 379 HB THR 51 HB THR 51 -11.704 2.827 -5.014 380 HG1 THR 51 HG1 THR 51 -11.904 3.991 -3.171 381 HG21 THR 51 HG21 THR 51 -11.022 1.567 -3.155 382 HG22 THR 51 HG22 THR 51 -9.457 2.377 -3.080 383 HG23 THR 51 HG23 THR 51 -9.815 1.270 -4.406 384 HA PRO 52 HA PRO 52 -11.058 6.725 -8.232 385 HB2 PRO 52 HB2 PRO 52 -13.510 6.080 -9.200 386 HB3 PRO 52 HB1 PRO 52 -12.008 5.490 -9.921 387 HG2 PRO 52 HG2 PRO 52 -13.875 4.106 -8.033 388 HG3 PRO 52 HG1 PRO 52 -13.072 3.469 -9.480 389 HD2 PRO 52 HD2 PRO 52 -12.163 2.982 -6.976 390 HD3 PRO 52 HD1 PRO 52 -11.078 3.124 -8.374 391 H ALA 53 HN ALA 53 -12.353 8.546 -7.908 392 HA ALA 53 HA ALA 53 -13.384 8.921 -5.323 393 HB1 ALA 53 HB1 ALA 53 -12.536 10.631 -7.110 394 HB2 ALA 53 HB2 ALA 53 -13.754 11.108 -5.927 395 HB3 ALA 53 HB3 ALA 53 -14.238 10.687 -7.570 396 H SER 54 HN SER 54 -14.879 7.881 -8.292 397 HA SER 54 HA SER 54 -17.570 8.392 -7.591 398 HB2 SER 54 HB2 SER 54 -16.378 7.628 -9.875 399 HB3 SER 54 HB1 SER 54 -16.969 6.058 -9.328 400 HG SER 54 HG SER 54 -18.538 8.404 -9.647 401 H SER 55 HN SER 55 -15.358 5.807 -6.834 402 HA SER 55 HA SER 55 -17.160 3.813 -6.078 403 HB2 SER 55 HB2 SER 55 -14.721 3.460 -6.322 404 HB3 SER 55 HB1 SER 55 -14.453 4.404 -4.857 405 HG SER 55 HG SER 55 -15.890 1.965 -5.066 406 H GLU 56 HN GLU 56 -18.359 3.431 -4.297 407 HA GLU 56 HA GLU 56 -19.094 5.535 -2.604 408 HB2 GLU 56 HB2 GLU 56 -20.414 3.431 -3.152 409 HB3 GLU 56 HB1 GLU 56 -19.426 2.609 -1.952 410 HG2 GLU 56 HG2 GLU 56 -20.203 4.488 -0.363 411 HG3 GLU 56 HG1 GLU 56 -21.465 4.758 -1.564 412 H LYS 57 HN LYS 57 -16.776 2.916 -2.183 413 HA LYS 57 HA LYS 57 -16.070 3.980 0.462 414 HB2 LYS 57 HB2 LYS 57 -14.745 1.818 0.637 415 HB3 LYS 57 HB1 LYS 57 -16.496 1.659 0.613 416 HG2 LYS 57 HG2 LYS 57 -15.105 1.493 -1.990 417 HG3 LYS 57 HG1 LYS 57 -14.881 0.149 -0.869 418 HD2 LYS 57 HD2 LYS 57 -17.562 0.525 -0.699 419 HD3 LYS 57 HD1 LYS 57 -17.265 0.982 -2.378 420 HE2 LYS 57 HE2 LYS 57 -17.473 -1.230 -2.749 421 HE3 LYS 57 HE1 LYS 57 -15.792 -1.274 -2.217 422 HZ1 LYS 57 HZ1 LYS 57 -16.410 -2.002 -0.102 423 HZ2 LYS 57 HZ2 LYS 57 -17.399 -2.896 -1.143 424 HZ3 LYS 57 HZ3 LYS 57 -18.032 -1.567 -0.309 425 H MET 58 HN MET 58 -14.086 4.806 0.889 426 HA MET 58 HA MET 58 -12.307 5.181 -1.414 427 HB2 MET 58 HB2 MET 58 -12.238 6.648 1.224 428 HB3 MET 58 HB1 MET 58 -11.410 7.088 -0.263 429 HG2 MET 58 HG2 MET 58 -13.173 8.539 -0.293 430 HG3 MET 58 HG1 MET 58 -13.822 7.202 -1.240 431 HE1 MET 58 HE1 MET 58 -13.711 6.937 2.920 432 HE2 MET 58 HE2 MET 58 -14.801 8.316 3.071 433 HE3 MET 58 HE3 MET 58 -13.262 8.496 2.228 434 H MET 59 HN MET 59 -10.431 4.141 -1.521 435 HA MET 59 HA MET 59 -8.993 3.422 0.896 436 HB2 MET 59 HB2 MET 59 -9.787 1.306 -1.112 437 HB3 MET 59 HB1 MET 59 -8.798 1.064 0.321 438 HG2 MET 59 HG2 MET 59 -10.742 1.740 1.707 439 HG3 MET 59 HG1 MET 59 -11.712 1.804 0.236 440 HE1 MET 59 HE1 MET 59 -12.417 -1.496 -0.887 441 HE2 MET 59 HE2 MET 59 -12.628 0.255 -0.913 442 HE3 MET 59 HE3 MET 59 -13.486 -0.719 0.281 443 H LEU 60 HN LEU 60 -6.837 2.449 0.362 444 HA LEU 60 HA LEU 60 -5.859 3.375 -2.256 445 HB2 LEU 60 HB2 LEU 60 -4.898 4.030 0.473 446 HB3 LEU 60 HB1 LEU 60 -3.673 3.744 -0.748 447 HG LEU 60 HG LEU 60 -5.871 5.634 -1.419 448 HD11 LEU 60 HD11 LEU 60 -5.099 7.395 -0.159 449 HD12 LEU 60 HD12 LEU 60 -3.515 6.662 0.094 450 HD13 LEU 60 HD13 LEU 60 -4.918 6.056 0.974 451 HD21 LEU 60 HD21 LEU 60 -4.070 4.973 -3.010 452 HD22 LEU 60 HD22 LEU 60 -2.902 5.730 -1.927 453 HD23 LEU 60 HD23 LEU 60 -4.154 6.706 -2.696 454 H ARG 61 HN ARG 61 -4.010 2.270 -3.079 455 HA ARG 61 HA ARG 61 -3.312 -0.237 -1.731 456 HB2 ARG 61 HB2 ARG 61 -5.076 -0.787 -3.340 457 HB3 ARG 61 HB1 ARG 61 -4.155 -0.022 -4.627 458 HG2 ARG 61 HG2 ARG 61 -2.663 -1.744 -4.777 459 HG3 ARG 61 HG1 ARG 61 -2.867 -2.213 -3.087 460 HD2 ARG 61 HD2 ARG 61 -5.279 -2.842 -3.838 461 HD3 ARG 61 HD1 ARG 61 -4.577 -2.854 -5.455 462 HE ARG 61 HE ARG 61 -2.901 -4.392 -3.910 463 HH11 ARG 61 HH11 ARG 61 -6.277 -4.462 -4.793 464 HH12 ARG 61 HH12 ARG 61 -6.395 -6.187 -4.696 465 HH21 ARG 61 HH21 ARG 61 -3.055 -6.661 -3.783 466 HH22 ARG 61 HH22 ARG 61 -4.566 -7.436 -4.122 467 H LEU 62 HN LEU 62 -1.245 -0.972 -2.103 468 HA LEU 62 HA LEU 62 0.462 0.734 -3.794 469 HB2 LEU 62 HB2 LEU 62 1.260 -0.529 -1.173 470 HB3 LEU 62 HB1 LEU 62 2.249 0.519 -2.172 471 HG LEU 62 HG LEU 62 -0.337 1.604 -1.178 472 HD11 LEU 62 HD11 LEU 62 0.240 1.806 0.993 473 HD12 LEU 62 HD12 LEU 62 1.964 1.920 0.638 474 HD13 LEU 62 HD13 LEU 62 1.169 0.345 0.654 475 HD21 LEU 62 HD21 LEU 62 2.208 3.086 -1.032 476 HD22 LEU 62 HD22 LEU 62 0.620 3.605 -1.595 477 HD23 LEU 62 HD23 LEU 62 1.659 2.644 -2.648 478 H ILE 63 HN ILE 63 1.974 -0.273 -5.047 479 HA ILE 63 HA ILE 63 1.835 -3.209 -5.108 480 HB ILE 63 HB ILE 63 2.831 -1.358 -7.274 481 HG12 ILE 63 HG12 ILE 63 0.457 -0.976 -6.902 482 HG13 ILE 63 HG11 ILE 63 0.683 -1.865 -8.405 483 HG21 ILE 63 HG21 ILE 63 2.804 -4.248 -6.925 484 HG22 ILE 63 HG22 ILE 63 3.708 -3.250 -8.064 485 HG23 ILE 63 HG23 ILE 63 2.050 -3.724 -8.432 486 HD11 ILE 63 HD11 ILE 63 0.358 -3.759 -6.332 487 HD12 ILE 63 HD12 ILE 63 -0.718 -3.409 -7.685 488 HD13 ILE 63 HD13 ILE 63 -0.906 -2.542 -6.161 489 H GLY 64 HN GLY 64 3.529 -4.342 -4.431 490 HA2 GLY 64 HA2 GLY 64 5.889 -3.142 -3.462 491 HA3 GLY 64 HA1 GLY 64 5.648 -4.863 -3.719 492 H LYS 65 HN LYS 65 8.112 -3.901 -4.155 493 HA LYS 65 HA LYS 65 8.378 -3.373 -7.017 494 HB2 LYS 65 HB2 LYS 65 10.231 -3.166 -4.667 495 HB3 LYS 65 HB1 LYS 65 10.882 -3.242 -6.299 496 HG2 LYS 65 HG2 LYS 65 9.679 -1.247 -6.920 497 HG3 LYS 65 HG1 LYS 65 8.890 -1.198 -5.342 498 HD2 LYS 65 HD2 LYS 65 10.772 -0.461 -4.271 499 HD3 LYS 65 HD1 LYS 65 11.861 -1.246 -5.416 500 HE2 LYS 65 HE2 LYS 65 10.185 0.907 -6.524 501 HE3 LYS 65 HE1 LYS 65 11.390 1.417 -5.341 502 HZ1 LYS 65 HZ1 LYS 65 12.257 -0.403 -7.457 503 HZ2 LYS 65 HZ2 LYS 65 13.099 0.853 -6.700 504 HZ3 LYS 65 HZ3 LYS 65 11.950 1.203 -7.891 505 H VAL 66 HN VAL 66 9.969 -4.586 -8.273 506 HA VAL 66 HA VAL 66 9.927 -7.427 -7.531 507 HB VAL 66 HB VAL 66 10.553 -7.758 -9.981 508 HG11 VAL 66 HG11 VAL 66 8.355 -8.294 -9.273 509 HG12 VAL 66 HG12 VAL 66 8.189 -7.325 -10.737 510 HG13 VAL 66 HG13 VAL 66 7.904 -6.593 -9.158 511 HG21 VAL 66 HG21 VAL 66 9.400 -5.064 -10.494 512 HG22 VAL 66 HG22 VAL 66 10.483 -6.037 -11.489 513 HG23 VAL 66 HG23 VAL 66 11.110 -5.182 -10.079 514 H ASP 67 HN ASP 67 11.875 -8.605 -8.759 515 HA ASP 67 HA ASP 67 14.366 -7.135 -8.513 516 HB2 ASP 67 HB2 ASP 67 13.567 -9.369 -6.667 517 HB3 ASP 67 HB1 ASP 67 15.263 -9.083 -7.047 518 H GLU 68 HN GLU 68 15.438 -7.616 -10.300 519 HA GLU 68 HA GLU 68 15.329 -10.384 -11.305 520 HB2 GLU 68 HB2 GLU 68 15.643 -7.916 -13.018 521 HB3 GLU 68 HB1 GLU 68 15.405 -9.570 -13.565 522 HG2 GLU 68 HG2 GLU 68 13.210 -9.189 -12.003 523 HG3 GLU 68 HG1 GLU 68 13.458 -7.579 -12.678 524 H SER 69 HN SER 69 17.236 -9.995 -9.552 525 HA SER 69 HA SER 69 19.674 -9.425 -11.106 526 HB2 SER 69 HB2 SER 69 19.395 -9.376 -8.094 527 HB3 SER 69 HB1 SER 69 20.783 -8.843 -9.044 528 HG SER 69 HG SER 69 19.212 -7.310 -10.017 529 H LYS 70 HN LYS 70 18.489 -11.452 -8.422 530 HA LYS 70 HA LYS 70 20.528 -13.447 -9.046 531 HB2 LYS 70 HB2 LYS 70 18.781 -12.866 -6.707 532 HB3 LYS 70 HB1 LYS 70 19.275 -14.535 -6.956 533 HG2 LYS 70 HG2 LYS 70 21.597 -13.917 -6.847 534 HG3 LYS 70 HG1 LYS 70 21.173 -12.206 -6.759 535 HD2 LYS 70 HD2 LYS 70 19.740 -13.195 -4.682 536 HD3 LYS 70 HD1 LYS 70 21.132 -14.280 -4.671 537 HE2 LYS 70 HE2 LYS 70 22.636 -12.361 -4.580 538 HE3 LYS 70 HE1 LYS 70 21.256 -11.266 -4.626 539 HZ1 LYS 70 HZ1 LYS 70 20.506 -12.464 -2.533 540 HZ2 LYS 70 HZ2 LYS 70 21.828 -11.420 -2.386 541 HZ3 LYS 70 HZ3 LYS 70 22.075 -13.092 -2.451 542 H LYS 71 HN LYS 71 17.115 -13.755 -8.072 543 HA LYS 71 HA LYS 71 15.440 -15.107 -8.805 544 HB2 LYS 71 HB2 LYS 71 16.861 -15.176 -11.463 545 HB3 LYS 71 HB1 LYS 71 15.139 -15.353 -11.153 546 HG2 LYS 71 HG2 LYS 71 14.810 -13.164 -11.290 547 HG3 LYS 71 HG1 LYS 71 16.116 -12.830 -10.153 548 HD2 LYS 71 HD2 LYS 71 16.980 -11.812 -12.000 549 HD3 LYS 71 HD1 LYS 71 17.600 -13.442 -12.270 550 HE2 LYS 71 HE2 LYS 71 16.173 -13.847 -13.998 551 HE3 LYS 71 HE1 LYS 71 14.907 -12.814 -13.338 552 HZ1 LYS 71 HZ1 LYS 71 15.566 -11.471 -15.001 553 HZ2 LYS 71 HZ2 LYS 71 17.114 -12.143 -15.102 554 HZ3 LYS 71 HZ3 LYS 71 16.765 -11.004 -13.902 555 H ARG 72 HN ARG 72 15.287 -17.246 -10.484 556 HA ARG 72 HA ARG 72 15.693 -19.478 -10.632 557 HB2 ARG 72 HB2 ARG 72 18.526 -18.851 -9.802 558 HB3 ARG 72 HB1 ARG 72 17.961 -20.249 -10.706 559 HG2 ARG 72 HG2 ARG 72 17.937 -19.142 -12.662 560 HG3 ARG 72 HG1 ARG 72 17.378 -17.638 -11.927 561 HD2 ARG 72 HD2 ARG 72 19.487 -16.896 -11.513 562 HD3 ARG 72 HD1 ARG 72 20.126 -18.521 -11.266 563 HE ARG 72 HE ARG 72 19.589 -18.474 -13.912 564 HH11 ARG 72 HH11 ARG 72 21.382 -16.339 -11.814 565 HH12 ARG 72 HH12 ARG 72 22.480 -15.838 -13.056 566 HH21 ARG 72 HH21 ARG 72 21.032 -17.817 -15.547 567 HH22 ARG 72 HH22 ARG 72 22.282 -16.676 -15.175 568 H LYS 73 HN LYS 73 15.023 -20.969 -9.243 569 HA LYS 73 HA LYS 73 15.533 -20.571 -6.392 570 HB2 LYS 73 HB2 LYS 73 13.698 -22.628 -7.608 571 HB3 LYS 73 HB1 LYS 73 13.670 -21.977 -5.975 572 HG2 LYS 73 HG2 LYS 73 12.008 -20.702 -6.754 573 HG3 LYS 73 HG1 LYS 73 13.307 -19.723 -7.439 574 HD2 LYS 73 HD2 LYS 73 13.092 -21.430 -9.432 575 HD3 LYS 73 HD1 LYS 73 11.471 -21.656 -8.773 576 HE2 LYS 73 HE2 LYS 73 10.979 -19.923 -10.133 577 HE3 LYS 73 HE1 LYS 73 11.594 -18.972 -8.781 578 HZ1 LYS 73 HZ1 LYS 73 12.950 -19.665 -11.311 579 HZ2 LYS 73 HZ2 LYS 73 13.836 -19.200 -9.947 580 HZ3 LYS 73 HZ3 LYS 73 12.707 -18.138 -10.624 581 H ASP 74 HN ASP 74 17.670 -21.318 -6.264 582 HA ASP 74 HA ASP 74 18.661 -23.700 -7.313 583 HB2 ASP 74 HB2 ASP 74 19.521 -22.482 -4.685 584 HB3 ASP 74 HB1 ASP 74 20.488 -23.468 -5.777 585 H ASN 75 HN ASN 75 19.226 -25.691 -6.193 586 HA ASN 75 HA ASN 75 16.985 -26.863 -4.926 587 HB2 ASN 75 HB2 ASN 75 19.824 -27.874 -5.184 588 HB3 ASN 75 HB1 ASN 75 18.452 -28.844 -4.658 589 HD21 ASN 75 HD21 ASN 75 19.620 -29.926 -6.654 590 HD22 ASN 75 HD22 ASN 75 18.828 -29.640 -8.162 591 H GLU 76 HN GLU 76 19.538 -24.993 -3.688 592 HA GLU 76 HA GLU 76 20.076 -26.069 -1.208 593 HB2 GLU 76 HB2 GLU 76 20.031 -23.306 -2.311 594 HB3 GLU 76 HB1 GLU 76 20.132 -23.480 -0.564 595 HG2 GLU 76 HG2 GLU 76 22.041 -25.204 -1.261 596 HG3 GLU 76 HG1 GLU 76 22.111 -24.131 -2.658 597 H GLY 77 HN GLY 77 17.191 -24.442 -2.306 598 HA2 GLY 77 HA2 GLY 77 15.273 -25.338 -0.804 599 HA3 GLY 77 HA1 GLY 77 16.119 -24.417 0.431 600 H ASN 78 HN ASN 78 14.486 -24.151 -2.688 601 HA ASN 78 HA ASN 78 13.509 -22.390 -3.764 602 HB2 ASN 78 HB2 ASN 78 11.844 -21.186 -2.373 603 HB3 ASN 78 HB1 ASN 78 11.773 -22.934 -2.182 604 HD21 ASN 78 HD21 ASN 78 12.361 -23.858 -0.243 605 HD22 ASN 78 HD22 ASN 78 12.594 -22.934 1.198 606 H GLU 79 HN GLU 79 14.939 -20.984 -4.566 607 HA GLU 79 HA GLU 79 15.817 -18.781 -2.816 608 HB2 GLU 79 HB2 GLU 79 17.272 -19.640 -5.306 609 HB3 GLU 79 HB1 GLU 79 17.861 -18.634 -3.990 610 HG2 GLU 79 HG2 GLU 79 17.286 -20.949 -2.687 611 HG3 GLU 79 HG1 GLU 79 17.807 -21.545 -4.262 612 H VAL 80 HN VAL 80 13.406 -18.418 -3.834 613 HA VAL 80 HA VAL 80 13.322 -17.298 -6.443 614 HB VAL 80 HB VAL 80 11.397 -16.630 -4.225 615 HG11 VAL 80 HG11 VAL 80 10.938 -15.352 -6.141 616 HG12 VAL 80 HG12 VAL 80 9.803 -16.700 -6.211 617 HG13 VAL 80 HG13 VAL 80 11.247 -16.709 -7.224 618 HG21 VAL 80 HG21 VAL 80 11.958 -19.223 -5.424 619 HG22 VAL 80 HG22 VAL 80 10.273 -18.734 -5.606 620 HG23 VAL 80 HG23 VAL 80 10.999 -18.818 -4.001 621 H VAL 81 HN VAL 81 12.779 -15.019 -6.907 622 HA VAL 81 HA VAL 81 13.720 -13.075 -4.963 623 HB VAL 81 HB VAL 81 15.094 -13.567 -7.593 624 HG11 VAL 81 HG11 VAL 81 16.329 -11.346 -6.620 625 HG12 VAL 81 HG12 VAL 81 14.642 -11.005 -6.236 626 HG13 VAL 81 HG13 VAL 81 15.117 -11.339 -7.901 627 HG21 VAL 81 HG21 VAL 81 15.781 -13.724 -4.736 628 HG22 VAL 81 HG22 VAL 81 17.017 -13.035 -5.787 629 HG23 VAL 81 HG23 VAL 81 16.390 -14.652 -6.107 630 HA PRO 82 HA PRO 82 11.622 -10.609 -8.540 631 HB2 PRO 82 HB2 PRO 82 10.743 -11.983 -10.715 632 HB3 PRO 82 HB1 PRO 82 12.364 -11.285 -10.609 633 HG2 PRO 82 HG2 PRO 82 11.483 -14.104 -10.090 634 HG3 PRO 82 HG1 PRO 82 12.874 -13.526 -11.030 635 HD2 PRO 82 HD2 PRO 82 13.160 -14.411 -8.518 636 HD3 PRO 82 HD1 PRO 82 14.115 -13.047 -9.131 637 H LYS 83 HN LYS 83 10.344 -11.406 -6.437 638 HA LYS 83 HA LYS 83 7.793 -12.584 -7.310 639 HB2 LYS 83 HB2 LYS 83 9.401 -12.842 -4.884 640 HB3 LYS 83 HB1 LYS 83 7.712 -12.485 -4.547 641 HG2 LYS 83 HG2 LYS 83 7.385 -14.420 -6.362 642 HG3 LYS 83 HG1 LYS 83 8.949 -14.903 -5.702 643 HD2 LYS 83 HD2 LYS 83 7.571 -14.348 -3.430 644 HD3 LYS 83 HD1 LYS 83 6.279 -14.947 -4.472 645 HE2 LYS 83 HE2 LYS 83 7.788 -16.918 -4.976 646 HE3 LYS 83 HE1 LYS 83 8.810 -16.353 -3.655 647 HZ1 LYS 83 HZ1 LYS 83 7.200 -16.826 -2.094 648 HZ2 LYS 83 HZ2 LYS 83 7.003 -18.104 -3.183 649 HZ3 LYS 83 HZ3 LYS 83 5.931 -16.796 -3.214 650 HA PRO 84 HA PRO 84 6.698 -8.160 -6.778 651 HB2 PRO 84 HB2 PRO 84 4.550 -8.264 -8.445 652 HB3 PRO 84 HB1 PRO 84 6.204 -8.016 -9.014 653 HG2 PRO 84 HG2 PRO 84 4.577 -10.528 -8.957 654 HG3 PRO 84 HG1 PRO 84 5.635 -9.909 -10.238 655 HD2 PRO 84 HD2 PRO 84 6.416 -11.853 -8.532 656 HD3 PRO 84 HD1 PRO 84 7.551 -10.657 -9.191 657 H GLN 85 HN GLN 85 5.255 -7.302 -5.375 658 HA GLN 85 HA GLN 85 2.984 -8.972 -4.531 659 HB2 GLN 85 HB2 GLN 85 4.765 -7.364 -2.691 660 HB3 GLN 85 HB1 GLN 85 3.363 -8.310 -2.209 661 HG2 GLN 85 HG2 GLN 85 4.491 -10.350 -2.954 662 HG3 GLN 85 HG1 GLN 85 5.901 -9.395 -3.408 663 HE21 GLN 85 HE21 GLN 85 7.256 -10.461 -1.990 664 HE22 GLN 85 HE22 GLN 85 7.166 -10.247 -0.278 665 H ARG 86 HN ARG 86 1.460 -7.588 -3.090 666 HA ARG 86 HA ARG 86 1.357 -4.787 -3.828 667 HB2 ARG 86 HB2 ARG 86 -1.019 -6.510 -4.503 668 HB3 ARG 86 HB1 ARG 86 -0.720 -4.839 -4.962 669 HG2 ARG 86 HG2 ARG 86 1.136 -5.596 -6.397 670 HG3 ARG 86 HG1 ARG 86 0.744 -7.265 -5.980 671 HD2 ARG 86 HD2 ARG 86 -1.680 -6.338 -6.776 672 HD3 ARG 86 HD1 ARG 86 -0.603 -5.402 -7.812 673 HE ARG 86 HE ARG 86 -1.243 -8.135 -8.095 674 HH11 ARG 86 HH11 ARG 86 1.460 -5.940 -8.342 675 HH12 ARG 86 HH12 ARG 86 2.297 -6.905 -9.510 676 HH21 ARG 86 HH21 ARG 86 -0.142 -9.405 -9.632 677 HH22 ARG 86 HH22 ARG 86 1.388 -8.872 -10.243 678 H HIS 87 HN HIS 87 0.944 -3.800 -1.968 679 HA HIS 87 HA HIS 87 -0.714 -5.164 0.033 680 HB2 HIS 87 HB2 HIS 87 1.199 -2.837 0.295 681 HB3 HIS 87 HB1 HIS 87 0.230 -3.480 1.616 682 HD1 HIS 87 HD1 HIS 87 0.701 -6.520 0.934 683 HD2 HIS 87 HD2 HIS 87 3.658 -3.618 1.248 684 HE1 HIS 87 HE1 HIS 87 2.818 -7.772 1.457 685 HE2 HIS 87 HE2 HIS 87 4.609 -6.003 1.560 686 H MET 88 HN MET 88 -2.748 -4.547 0.305 687 HA MET 88 HA MET 88 -3.539 -1.870 -0.630 688 HB2 MET 88 HB2 MET 88 -5.791 -2.779 -0.928 689 HB3 MET 88 HB1 MET 88 -4.613 -3.702 -1.851 690 HG2 MET 88 HG2 MET 88 -5.013 -5.582 -0.717 691 HG3 MET 88 HG1 MET 88 -5.094 -4.747 0.833 692 HE1 MET 88 HE1 MET 88 -7.873 -3.758 1.788 693 HE2 MET 88 HE2 MET 88 -8.611 -3.039 0.357 694 HE3 MET 88 HE3 MET 88 -6.914 -2.728 0.724 695 H PHE 89 HN PHE 89 -4.725 -0.534 0.680 696 HA PHE 89 HA PHE 89 -5.247 -1.482 3.419 697 HB2 PHE 89 HB2 PHE 89 -4.089 1.183 2.580 698 HB3 PHE 89 HB1 PHE 89 -4.635 0.809 4.211 699 HD1 PHE 89 HD1 PHE 89 -2.249 -0.294 1.588 700 HD2 PHE 89 HD2 PHE 89 -3.187 -0.170 5.737 701 HE1 PHE 89 HE1 PHE 89 -0.029 -1.216 2.114 702 HE2 PHE 89 HE2 PHE 89 -0.969 -1.091 6.271 703 HZ PHE 89 HZ PHE 89 0.614 -1.616 4.458 704 H SER 90 HN SER 90 -6.837 -0.099 4.593 705 HA SER 90 HA SER 90 -8.913 0.854 2.731 706 HB2 SER 90 HB2 SER 90 -9.028 -0.801 5.191 707 HB3 SER 90 HB1 SER 90 -10.318 0.383 4.984 708 HG SER 90 HG SER 90 -9.720 -1.887 3.483 709 H PHE 91 HN PHE 91 -10.219 2.646 3.408 710 HA PHE 91 HA PHE 91 -9.239 4.242 5.639 711 HB2 PHE 91 HB2 PHE 91 -9.187 5.165 2.765 712 HB3 PHE 91 HB1 PHE 91 -9.142 6.279 4.127 713 HD1 PHE 91 HD1 PHE 91 -7.349 3.449 2.550 714 HD2 PHE 91 HD2 PHE 91 -7.135 6.748 5.229 715 HE1 PHE 91 HE1 PHE 91 -4.907 3.178 2.682 716 HE2 PHE 91 HE2 PHE 91 -4.692 6.484 5.365 717 HZ PHE 91 HZ PHE 91 -3.575 4.697 4.090 718 H ASN 92 HN ASN 92 -10.612 6.298 5.840 719 HA ASN 92 HA ASN 92 -13.368 5.796 4.947 720 HB2 ASN 92 HB2 ASN 92 -12.339 6.089 7.723 721 HB3 ASN 92 HB1 ASN 92 -13.872 6.869 7.349 722 HD21 ASN 92 HD21 ASN 92 -12.219 3.774 6.824 723 HD22 ASN 92 HD22 ASN 92 -13.604 2.788 7.133 724 H ASN 93 HN ASN 93 -11.325 7.616 3.951 725 HA ASN 93 HA ASN 93 -12.899 9.958 3.730 726 HB2 ASN 93 HB2 ASN 93 -10.751 9.923 5.773 727 HB3 ASN 93 HB1 ASN 93 -10.814 11.344 4.735 728 HD21 ASN 93 HD21 ASN 93 -13.177 12.137 4.426 729 HD22 ASN 93 HD22 ASN 93 -14.080 12.306 5.890 730 H ARG 94 HN ARG 94 -12.474 10.807 1.800 731 HA ARG 94 HA ARG 94 -10.309 9.820 0.223 732 HB2 ARG 94 HB2 ARG 94 -11.192 11.249 -1.539 733 HB3 ARG 94 HB1 ARG 94 -12.499 10.378 -0.751 734 HG2 ARG 94 HG2 ARG 94 -13.050 12.374 0.547 735 HG3 ARG 94 HG1 ARG 94 -11.740 13.249 -0.250 736 HD2 ARG 94 HD2 ARG 94 -12.861 12.777 -2.432 737 HD3 ARG 94 HD1 ARG 94 -14.218 12.107 -1.529 738 HE ARG 94 HE ARG 94 -14.887 14.236 -1.013 739 HH11 ARG 94 HH11 ARG 94 -11.621 14.338 -2.237 740 HH12 ARG 94 HH12 ARG 94 -11.576 16.066 -2.329 741 HH21 ARG 94 HH21 ARG 94 -14.830 16.510 -1.134 742 HH22 ARG 94 HH22 ARG 94 -13.397 17.300 -1.703 743 H THR 95 HN THR 95 -10.905 12.723 2.073 744 HA THR 95 HA THR 95 -8.717 14.205 0.961 745 HB THR 95 HB THR 95 -10.256 14.651 3.527 746 HG1 THR 95 HG1 THR 95 -11.772 15.176 2.190 747 HG21 THR 95 HG21 THR 95 -9.316 16.691 3.766 748 HG22 THR 95 HG22 THR 95 -9.026 16.886 2.037 749 HG23 THR 95 HG23 THR 95 -7.958 15.866 3.001 750 H VAL 96 HN VAL 96 -9.202 12.116 3.739 751 HA VAL 96 HA VAL 96 -6.676 12.719 4.952 752 HB VAL 96 HB VAL 96 -8.412 10.299 5.446 753 HG11 VAL 96 HG11 VAL 96 -7.120 9.839 7.236 754 HG12 VAL 96 HG12 VAL 96 -6.838 11.540 7.604 755 HG13 VAL 96 HG13 VAL 96 -5.907 10.746 6.334 756 HG21 VAL 96 HG21 VAL 96 -9.646 11.497 7.032 757 HG22 VAL 96 HG22 VAL 96 -9.546 12.589 5.650 758 HG23 VAL 96 HG23 VAL 96 -8.498 12.836 7.047 759 H MET 97 HN MET 97 -7.958 9.888 3.205 760 HA MET 97 HA MET 97 -5.578 8.413 3.175 761 HB2 MET 97 HB2 MET 97 -6.596 7.112 1.383 762 HB3 MET 97 HB1 MET 97 -7.776 7.450 2.643 763 HG2 MET 97 HG2 MET 97 -9.094 8.028 0.938 764 HG3 MET 97 HG1 MET 97 -8.194 9.543 0.984 765 HE1 MET 97 HE1 MET 97 -7.803 5.827 -0.899 766 HE2 MET 97 HE2 MET 97 -8.528 6.576 -2.321 767 HE3 MET 97 HE3 MET 97 -9.360 6.644 -0.768 768 H ASP 98 HN ASP 98 -6.759 10.960 1.078 769 HA ASP 98 HA ASP 98 -4.951 10.623 -1.048 770 HB2 ASP 98 HB2 ASP 98 -6.695 12.818 -0.062 771 HB3 ASP 98 HB1 ASP 98 -5.391 13.267 -1.157 772 H ASN 99 HN ASN 99 -4.641 12.160 2.073 773 HA ASN 99 HA ASN 99 -2.266 13.613 1.510 774 HB2 ASN 99 HB2 ASN 99 -3.775 14.130 3.412 775 HB3 ASN 99 HB1 ASN 99 -3.285 12.624 4.183 776 HD21 ASN 99 HD21 ASN 99 -2.399 15.865 3.406 777 HD22 ASN 99 HD22 ASN 99 -0.948 15.919 4.341 778 H ILE 100 HN ILE 100 -2.927 10.321 2.415 779 HA ILE 100 HA ILE 100 -0.283 9.687 3.295 780 HB ILE 100 HB ILE 100 -2.417 7.798 2.294 781 HG12 ILE 100 HG12 ILE 100 -3.201 9.240 4.156 782 HG13 ILE 100 HG11 ILE 100 -3.090 7.543 4.614 783 HG21 ILE 100 HG21 ILE 100 -0.286 6.718 2.358 784 HG22 ILE 100 HG22 ILE 100 -1.219 6.167 3.750 785 HG23 ILE 100 HG23 ILE 100 0.054 7.370 3.962 786 HD11 ILE 100 HD11 ILE 100 -0.647 9.002 5.171 787 HD12 ILE 100 HD12 ILE 100 -1.625 7.980 6.224 788 HD13 ILE 100 HD13 ILE 100 -2.051 9.676 5.997 789 H LYS 101 HN LYS 101 -2.094 8.988 0.308 790 HA LYS 101 HA LYS 101 -0.025 7.709 -1.067 791 HB2 LYS 101 HB2 LYS 101 -2.371 7.649 -1.790 792 HB3 LYS 101 HB1 LYS 101 -2.294 9.359 -2.195 793 HG2 LYS 101 HG2 LYS 101 -0.233 8.431 -3.660 794 HG3 LYS 101 HG1 LYS 101 -1.289 7.017 -3.662 795 HD2 LYS 101 HD2 LYS 101 -2.454 9.701 -4.242 796 HD3 LYS 101 HD1 LYS 101 -1.531 8.877 -5.499 797 HE2 LYS 101 HE2 LYS 101 -3.037 6.848 -4.925 798 HE3 LYS 101 HE1 LYS 101 -4.087 8.051 -4.177 799 HZ1 LYS 101 HZ1 LYS 101 -4.328 7.373 -6.695 800 HZ2 LYS 101 HZ2 LYS 101 -3.151 8.571 -6.897 801 HZ3 LYS 101 HZ3 LYS 101 -4.630 8.954 -6.172 802 H MET 102 HN MET 102 -0.991 11.132 -1.078 803 HA MET 102 HA MET 102 0.879 12.039 -2.943 804 HB2 MET 102 HB2 MET 102 0.414 14.239 -2.156 805 HB3 MET 102 HB1 MET 102 -1.081 13.326 -2.018 806 HG2 MET 102 HG2 MET 102 -0.778 13.079 0.346 807 HG3 MET 102 HG1 MET 102 0.816 13.823 0.262 808 HE1 MET 102 HE1 MET 102 -3.244 14.994 0.368 809 HE2 MET 102 HE2 MET 102 -2.609 14.245 -1.097 810 HE3 MET 102 HE3 MET 102 -2.937 15.978 -1.063 811 H THR 103 HN THR 103 1.203 11.302 0.453 812 HA THR 103 HA THR 103 3.820 12.516 0.664 813 HB THR 103 HB THR 103 2.335 10.723 2.596 814 HG1 THR 103 HG1 THR 103 1.513 12.511 3.432 815 HG21 THR 103 HG21 THR 103 4.497 12.643 3.343 816 HG22 THR 103 HG22 THR 103 4.874 10.987 2.869 817 HG23 THR 103 HG23 THR 103 3.835 11.291 4.261 818 H LEU 104 HN LEU 104 2.470 9.408 -0.064 819 HA LEU 104 HA LEU 104 4.921 7.961 0.406 820 HB2 LEU 104 HB2 LEU 104 2.189 7.310 0.004 821 HB3 LEU 104 HB1 LEU 104 3.103 6.514 -1.263 822 HG LEU 104 HG LEU 104 4.132 6.245 1.509 823 HD11 LEU 104 HD11 LEU 104 2.594 4.357 1.929 824 HD12 LEU 104 HD12 LEU 104 1.664 4.836 0.510 825 HD13 LEU 104 HD13 LEU 104 1.778 5.920 1.896 826 HD21 LEU 104 HD21 LEU 104 4.186 4.785 -1.056 827 HD22 LEU 104 HD22 LEU 104 4.179 3.801 0.407 828 HD23 LEU 104 HD23 LEU 104 5.448 5.000 0.157 829 H GLN 105 HN GLN 105 3.367 9.578 -2.246 830 HA GLN 105 HA GLN 105 4.944 8.326 -4.294 831 HB2 GLN 105 HB2 GLN 105 3.865 9.820 -5.817 832 HB3 GLN 105 HB1 GLN 105 2.655 9.284 -4.661 833 HG2 GLN 105 HG2 GLN 105 2.143 11.409 -4.342 834 HG3 GLN 105 HG1 GLN 105 3.705 11.600 -3.548 835 HE21 GLN 105 HE21 GLN 105 1.826 13.072 -5.629 836 HE22 GLN 105 HE22 GLN 105 2.980 13.746 -6.724 837 H GLN 106 HN GLN 106 5.195 11.174 -2.293 838 HA GLN 106 HA GLN 106 7.229 12.453 -3.833 839 HB2 GLN 106 HB2 GLN 106 7.447 13.969 -1.960 840 HB3 GLN 106 HB1 GLN 106 5.743 13.674 -2.275 841 HG2 GLN 106 HG2 GLN 106 5.505 12.335 -0.375 842 HG3 GLN 106 HG1 GLN 106 7.246 12.126 -0.197 843 HE21 GLN 106 HE21 GLN 106 8.445 13.696 0.807 844 HE22 GLN 106 HE22 GLN 106 7.739 15.026 1.656 845 H ILE 107 HN ILE 107 7.196 10.065 -1.293 846 HA ILE 107 HA ILE 107 9.979 10.306 -0.646 847 HB ILE 107 HB ILE 107 8.132 7.984 -0.079 848 HG12 ILE 107 HG12 ILE 107 8.812 10.096 1.930 849 HG13 ILE 107 HG11 ILE 107 7.542 10.415 0.753 850 HG21 ILE 107 HG21 ILE 107 10.800 8.816 1.029 851 HG22 ILE 107 HG22 ILE 107 10.366 7.294 0.253 852 HG23 ILE 107 HG23 ILE 107 9.735 7.679 1.854 853 HD11 ILE 107 HD11 ILE 107 6.552 8.179 1.531 854 HD12 ILE 107 HD12 ILE 107 6.405 9.580 2.590 855 HD13 ILE 107 HD13 ILE 107 7.630 8.354 2.915 856 H ILE 108 HN ILE 108 8.037 8.137 -2.663 857 HA ILE 108 HA ILE 108 10.240 6.471 -3.396 858 HB ILE 108 HB ILE 108 7.618 6.777 -4.858 859 HG12 ILE 108 HG12 ILE 108 8.218 4.687 -2.776 860 HG13 ILE 108 HG11 ILE 108 7.517 6.240 -2.333 861 HG21 ILE 108 HG21 ILE 108 8.055 4.650 -5.793 862 HG22 ILE 108 HG22 ILE 108 9.411 4.368 -4.700 863 HG23 ILE 108 HG23 ILE 108 9.542 5.580 -5.974 864 HD11 ILE 108 HD11 ILE 108 5.794 5.611 -4.219 865 HD12 ILE 108 HD12 ILE 108 5.630 4.998 -2.574 866 HD13 ILE 108 HD13 ILE 108 6.326 3.975 -3.831 867 H SER 109 HN SER 109 8.727 9.333 -4.740 868 HA SER 109 HA SER 109 9.865 9.243 -7.307 869 HB2 SER 109 HB2 SER 109 9.207 11.523 -7.529 870 HB3 SER 109 HB1 SER 109 7.991 10.761 -6.503 871 HG SER 109 HG SER 109 8.865 11.742 -4.735 872 H ARG 110 HN ARG 110 11.161 10.209 -4.225 873 HA ARG 110 HA ARG 110 13.489 11.466 -5.429 874 HB2 ARG 110 HB2 ARG 110 12.593 11.062 -2.582 875 HB3 ARG 110 HB1 ARG 110 14.183 11.698 -2.981 876 HG2 ARG 110 HG2 ARG 110 12.706 13.354 -4.452 877 HG3 ARG 110 HG1 ARG 110 11.520 12.961 -3.206 878 HD2 ARG 110 HD2 ARG 110 13.367 13.499 -1.527 879 HD3 ARG 110 HD1 ARG 110 14.226 14.226 -2.884 880 HE ARG 110 HE ARG 110 12.024 15.338 -1.462 881 HH11 ARG 110 HH11 ARG 110 13.513 15.180 -4.614 882 HH12 ARG 110 HH12 ARG 110 12.877 16.707 -5.129 883 HH21 ARG 110 HH21 ARG 110 11.186 17.346 -2.137 884 HH22 ARG 110 HH22 ARG 110 11.557 17.936 -3.723 885 H TYR 111 HN TYR 111 12.574 8.424 -4.013 886 HA TYR 111 HA TYR 111 15.357 7.552 -3.858 887 HB2 TYR 111 HB2 TYR 111 12.835 6.081 -3.072 888 HB3 TYR 111 HB1 TYR 111 14.484 5.559 -2.746 889 HD1 TYR 111 HD2 TYR 111 15.317 8.578 -2.117 890 HD2 TYR 111 HD1 TYR 111 12.309 5.934 -0.680 891 HE1 TYR 111 HE2 TYR 111 15.278 9.794 0.019 892 HE2 TYR 111 HE1 TYR 111 12.262 7.143 1.461 893 HH TYR 111 HH TYR 111 13.033 9.868 2.052 894 H LYS 112 HN LYS 112 12.807 7.500 -6.079 895 HA LYS 112 HA LYS 112 13.269 4.955 -7.261 896 HB2 LYS 112 HB2 LYS 112 11.892 5.751 -9.094 897 HB3 LYS 112 HB1 LYS 112 11.166 6.211 -7.561 898 HG2 LYS 112 HG2 LYS 112 11.582 8.442 -7.873 899 HG3 LYS 112 HG1 LYS 112 12.952 8.149 -8.946 900 HD2 LYS 112 HD2 LYS 112 11.295 8.931 -10.385 901 HD3 LYS 112 HD1 LYS 112 11.199 7.179 -10.565 902 HE2 LYS 112 HE2 LYS 112 9.012 7.441 -10.173 903 HE3 LYS 112 HE1 LYS 112 9.484 7.641 -8.486 904 HZ1 LYS 112 HZ1 LYS 112 8.180 9.488 -8.911 905 HZ2 LYS 112 HZ2 LYS 112 8.799 9.715 -10.468 906 HZ3 LYS 112 HZ3 LYS 112 9.744 10.097 -9.119 907 H ASP 113 HN ASP 113 14.723 8.099 -7.612 908 HA ASP 113 HA ASP 113 16.353 7.104 -9.849 909 HB2 ASP 113 HB2 ASP 113 14.987 9.276 -10.057 910 HB3 ASP 113 HB1 ASP 113 16.186 9.982 -8.978 911 H ALA 114 HN ALA 114 16.453 8.452 -6.622 912 HA ALA 114 HA ALA 114 19.240 8.912 -6.487 913 HB1 ALA 114 HB1 ALA 114 17.589 9.892 -4.927 914 HB2 ALA 114 HB2 ALA 114 18.930 9.096 -4.103 915 HB3 ALA 114 HB3 ALA 114 17.362 8.297 -4.210 916 H ASP 115 HN ASP 115 17.232 6.098 -5.838 917 HA ASP 115 HA ASP 115 17.729 3.911 -5.461 918 HB2 ASP 115 HB2 ASP 115 19.237 4.536 -7.528 919 HB3 ASP 115 HB1 ASP 115 20.549 4.333 -6.371 920 H1 ASP 453 HN ASP 453 -20.089 -9.212 -2.970 921 HA ASP 453 HA ASP 453 -18.011 -11.140 -3.354 922 HB2 ASP 453 HB2 ASP 453 -17.845 -10.100 -5.632 923 HB3 ASP 453 HB1 ASP 453 -19.462 -10.654 -5.208 924 H LEU 454 HN LEU 454 -16.492 -10.453 -1.742 925 HA LEU 454 HA LEU 454 -15.099 -7.936 -2.291 926 HB2 LEU 454 HB2 LEU 454 -15.290 -9.760 0.057 927 HB3 LEU 454 HB1 LEU 454 -13.842 -8.788 -0.122 928 HG LEU 454 HG LEU 454 -15.623 -6.838 -0.421 929 HD11 LEU 454 HD11 LEU 454 -17.089 -8.436 1.610 930 HD12 LEU 454 HD12 LEU 454 -17.407 -8.754 -0.096 931 HD13 LEU 454 HD13 LEU 454 -17.659 -7.137 0.562 932 HD21 LEU 454 HD21 LEU 454 -15.127 -7.849 2.354 933 HD22 LEU 454 HD22 LEU 454 -15.135 -6.190 1.756 934 HD23 LEU 454 HD23 LEU 454 -13.798 -7.267 1.351 935 H ASP 455 HN ASP 455 -14.912 -10.776 -3.650 936 HA ASP 455 HA ASP 455 -12.034 -11.199 -3.370 937 HB2 ASP 455 HB2 ASP 455 -14.319 -12.818 -4.368 938 HB3 ASP 455 HB1 ASP 455 -12.752 -13.098 -5.122 939 H GLU 456 HN GLU 456 -14.452 -10.543 -5.888 940 HA GLU 456 HA GLU 456 -12.353 -10.033 -7.837 941 HB2 GLU 456 HB2 GLU 456 -14.464 -11.274 -8.413 942 HB3 GLU 456 HB1 GLU 456 -15.340 -9.766 -8.194 943 HG2 GLU 456 HG2 GLU 456 -13.386 -9.002 -9.918 944 HG3 GLU 456 HG1 GLU 456 -13.665 -10.670 -10.416 945 H SER 457 HN SER 457 -14.927 -8.279 -6.154 946 HA SER 457 HA SER 457 -14.592 -5.797 -7.404 947 HB2 SER 457 HB2 SER 457 -15.519 -6.432 -4.593 948 HB3 SER 457 HB1 SER 457 -15.685 -4.858 -5.371 949 HG SER 457 HG SER 457 -17.581 -6.130 -5.568 950 H TRP 458 HN TRP 458 -12.814 -7.342 -4.825 951 HA TRP 458 HA TRP 458 -11.434 -5.009 -3.945 952 HB2 TRP 458 HB2 TRP 458 -11.414 -7.870 -3.344 953 HB3 TRP 458 HB1 TRP 458 -9.812 -7.144 -3.268 954 HD1 TRP 458 HD1 TRP 458 -9.519 -7.116 -0.676 955 HE1 TRP 458 HE1 TRP 458 -10.712 -5.888 1.246 956 HE3 TRP 458 HE3 TRP 458 -13.553 -5.307 -3.246 957 HZ2 TRP 458 HZ2 TRP 458 -13.053 -4.355 1.623 958 HZ3 TRP 458 HZ3 TRP 458 -15.222 -3.970 -2.031 959 HH2 TRP 458 HH2 TRP 458 -14.976 -3.505 0.354 960 H ASP 459 HN ASP 459 -10.923 -7.349 -6.473 961 HA ASP 459 HA ASP 459 -8.191 -6.537 -6.955 962 HB2 ASP 459 HB2 ASP 459 -10.070 -8.398 -8.412 963 HB3 ASP 459 HB1 ASP 459 -8.441 -8.045 -8.978 964 H TYR 460 HN TYR 460 -11.364 -5.722 -8.114 965 HA TYR 460 HA TYR 460 -10.296 -4.265 -10.402 966 HB2 TYR 460 HB2 TYR 460 -12.499 -5.677 -10.321 967 HB3 TYR 460 HB1 TYR 460 -13.184 -4.224 -9.600 968 HD1 TYR 460 HD2 TYR 460 -11.006 -5.118 -12.511 969 HD2 TYR 460 HD1 TYR 460 -14.242 -2.779 -11.044 970 HE1 TYR 460 HE2 TYR 460 -11.325 -4.164 -14.755 971 HE2 TYR 460 HE1 TYR 460 -14.571 -1.819 -13.284 972 HH TYR 460 HH TYR 460 -13.312 -3.104 -16.039 973 H ILE 461 HN ILE 461 -11.755 -3.677 -7.262 974 HA ILE 461 HA ILE 461 -12.304 -0.951 -7.505 975 HB ILE 461 HB ILE 461 -13.056 -2.323 -5.604 976 HG12 ILE 461 HG12 ILE 461 -11.386 0.073 -4.811 977 HG13 ILE 461 HG11 ILE 461 -13.042 0.123 -5.406 978 HG21 ILE 461 HG21 ILE 461 -10.842 -3.514 -5.365 979 HG22 ILE 461 HG22 ILE 461 -11.625 -3.026 -3.862 980 HG23 ILE 461 HG23 ILE 461 -10.271 -2.090 -4.497 981 HD11 ILE 461 HD11 ILE 461 -13.129 0.380 -3.059 982 HD12 ILE 461 HD12 ILE 461 -12.055 -0.995 -2.800 983 HD13 ILE 461 HD13 ILE 461 -13.688 -1.255 -3.414 984 H PHE 462 HN PHE 462 -9.325 -2.595 -6.501 985 HA PHE 462 HA PHE 462 -7.936 -0.044 -6.285 986 HB2 PHE 462 HB2 PHE 462 -7.046 -2.879 -5.735 987 HB3 PHE 462 HB1 PHE 462 -6.013 -1.466 -5.541 988 HD1 PHE 462 HD1 PHE 462 -7.129 0.457 -4.064 989 HD2 PHE 462 HD2 PHE 462 -8.095 -3.682 -3.866 990 HE1 PHE 462 HE1 PHE 462 -7.982 0.770 -1.778 991 HE2 PHE 462 HE2 PHE 462 -8.952 -3.377 -1.580 992 HZ PHE 462 HZ PHE 462 -8.896 -1.149 -0.533 993 H GLU 463 HN GLU 463 -8.843 -1.610 -8.861 994 HA GLU 463 HA GLU 463 -6.272 -1.810 -10.218 995 HB2 GLU 463 HB2 GLU 463 -7.929 -3.576 -10.600 996 HB3 GLU 463 HB1 GLU 463 -9.072 -2.384 -11.204 997 HG2 GLU 463 HG2 GLU 463 -8.296 -2.929 -13.216 998 HG3 GLU 463 HG1 GLU 463 -6.900 -1.940 -12.792 999 H THR 464 HN THR 464 -9.200 0.141 -10.224 1000 HA THR 464 HA THR 464 -8.712 1.639 -12.538 1001 HB THR 464 HB THR 464 -10.005 2.889 -10.145 1002 HG1 THR 464 HG1 THR 464 -11.419 1.368 -10.010 1003 HG21 THR 464 HG21 THR 464 -11.616 2.916 -12.468 1004 HG22 THR 464 HG22 THR 464 -9.985 3.403 -12.927 1005 HG23 THR 464 HG23 THR 464 -10.836 4.269 -11.649 1006 H THR 465 HN THR 465 -8.013 3.870 -12.719 1007 HA THR 465 HA THR 465 -6.214 4.806 -10.612 1008 HB THR 465 HB THR 465 -4.818 3.503 -12.163 1009 HG1 THR 465 HG1 THR 465 -4.365 6.278 -12.505 1010 HG21 THR 465 HG21 THR 465 -4.636 5.162 -14.401 1011 HG22 THR 465 HG22 THR 465 -6.355 4.835 -14.178 1012 HG23 THR 465 HG23 THR 465 -5.215 3.498 -14.334 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -2.545 21.141 7.532 2 H3 PRO 1 HT2 PRO 1 -3.516 21.058 8.858 3 HA PRO 1 HA PRO 1 -2.715 19.222 9.271 4 HB2 PRO 1 HB2 PRO 1 -3.590 17.705 6.957 5 HB3 PRO 1 HB1 PRO 1 -4.195 17.658 8.618 6 HG2 PRO 1 HG2 PRO 1 -5.619 18.703 6.548 7 HG3 PRO 1 HG1 PRO 1 -5.787 19.255 8.225 8 HD2 PRO 1 HD2 PRO 1 -4.230 20.487 5.970 9 HD3 PRO 1 HD1 PRO 1 -5.271 21.272 7.174 10 H SER 2 HN SER 2 -0.678 18.524 9.206 11 HA SER 2 HA SER 2 0.644 18.232 6.596 12 HB2 SER 2 HB2 SER 2 2.654 19.272 7.405 13 HB3 SER 2 HB1 SER 2 1.317 20.371 7.744 14 HG SER 2 HG SER 2 1.359 19.729 9.881 15 H HIS 3 HN HIS 3 1.409 16.250 6.332 16 HA HIS 3 HA HIS 3 2.201 14.159 6.743 17 HB2 HIS 3 HB2 HIS 3 3.282 15.523 9.216 18 HB3 HIS 3 HB1 HIS 3 3.702 13.883 8.732 19 HD1 HIS 3 HD1 HIS 3 4.445 17.437 8.024 20 HD2 HIS 3 HD2 HIS 3 5.315 13.718 6.386 21 HE1 HIS 3 HE1 HIS 3 6.334 17.837 6.413 22 HE2 HIS 3 HE2 HIS 3 6.785 15.588 5.371 23 H SER 4 HN SER 4 1.811 12.225 7.973 24 HA SER 4 HA SER 4 0.483 10.805 9.153 25 HB2 SER 4 HB2 SER 4 -0.065 13.075 11.062 26 HB3 SER 4 HB1 SER 4 -0.005 11.347 11.407 27 HG SER 4 HG SER 4 1.969 13.121 11.531 28 H GLY 5 HN GLY 5 -1.757 10.328 9.748 29 HA2 GLY 5 HA2 GLY 5 -3.889 12.111 9.450 30 HA3 GLY 5 HA1 GLY 5 -3.585 11.388 7.878 31 H ALA 6 HN ALA 6 -6.001 11.033 9.138 32 HA ALA 6 HA ALA 6 -6.223 8.753 10.750 33 HB1 ALA 6 HB1 ALA 6 -7.968 10.603 9.932 34 HB2 ALA 6 HB2 ALA 6 -8.465 9.037 10.572 35 HB3 ALA 6 HB3 ALA 6 -8.406 9.299 8.829 36 H ALA 7 HN ALA 7 -6.378 6.607 10.336 37 HA ALA 7 HA ALA 7 -6.734 5.588 7.666 38 HB1 ALA 7 HB1 ALA 7 -4.186 6.234 8.186 39 HB2 ALA 7 HB2 ALA 7 -4.647 4.873 7.164 40 HB3 ALA 7 HB3 ALA 7 -4.214 4.601 8.852 41 H ILE 8 HN ILE 8 -7.971 3.851 7.879 42 HA ILE 8 HA ILE 8 -7.925 2.382 10.419 43 HB ILE 8 HB ILE 8 -9.999 2.160 8.243 44 HG12 ILE 8 HG12 ILE 8 -11.346 3.594 9.942 45 HG13 ILE 8 HG11 ILE 8 -9.764 4.077 10.546 46 HG21 ILE 8 HG21 ILE 8 -10.561 1.637 11.105 47 HG22 ILE 8 HG22 ILE 8 -9.584 0.454 10.235 48 HG23 ILE 8 HG23 ILE 8 -11.203 0.854 9.661 49 HD11 ILE 8 HD11 ILE 8 -10.051 4.285 7.646 50 HD12 ILE 8 HD12 ILE 8 -9.389 5.431 8.812 51 HD13 ILE 8 HD13 ILE 8 -11.133 5.330 8.567 52 H PHE 9 HN PHE 9 -6.836 0.540 10.479 53 HA PHE 9 HA PHE 9 -6.661 -1.074 8.019 54 HB2 PHE 9 HB2 PHE 9 -4.495 -0.019 8.673 55 HB3 PHE 9 HB1 PHE 9 -4.571 -0.893 10.199 56 HD1 PHE 9 HD1 PHE 9 -5.361 -2.019 6.741 57 HD2 PHE 9 HD2 PHE 9 -2.841 -2.422 10.147 58 HE1 PHE 9 HE1 PHE 9 -4.251 -3.946 5.687 59 HE2 PHE 9 HE2 PHE 9 -1.726 -4.349 9.099 60 HZ PHE 9 HZ PHE 9 -2.431 -5.113 6.866 61 H GLU 10 HN GLU 10 -7.213 -3.176 8.155 62 HA GLU 10 HA GLU 10 -8.040 -5.123 8.988 63 HB2 GLU 10 HB2 GLU 10 -6.666 -4.321 11.558 64 HB3 GLU 10 HB1 GLU 10 -7.176 -5.941 11.101 65 HG2 GLU 10 HG2 GLU 10 -5.561 -5.263 9.017 66 HG3 GLU 10 HG1 GLU 10 -4.778 -4.442 10.366 67 H LYS 11 HN LYS 11 -9.642 -2.755 9.121 68 HA LYS 11 HA LYS 11 -11.662 -2.083 9.918 69 HB2 LYS 11 HB2 LYS 11 -11.690 -4.828 10.144 70 HB3 LYS 11 HB1 LYS 11 -12.107 -4.309 11.771 71 HG2 LYS 11 HG2 LYS 11 -13.513 -3.168 9.389 72 HG3 LYS 11 HG1 LYS 11 -13.995 -4.719 10.079 73 HD2 LYS 11 HD2 LYS 11 -13.734 -2.223 11.737 74 HD3 LYS 11 HD1 LYS 11 -15.232 -2.660 10.913 75 HE2 LYS 11 HE2 LYS 11 -15.546 -4.554 12.223 76 HE3 LYS 11 HE1 LYS 11 -13.850 -4.626 12.697 77 HZ1 LYS 11 HZ1 LYS 11 -14.748 -3.776 14.585 78 HZ2 LYS 11 HZ2 LYS 11 -16.017 -2.994 13.786 79 HZ3 LYS 11 HZ3 LYS 11 -14.467 -2.319 13.770 80 H VAL 12 HN VAL 12 -9.208 -1.385 11.305 81 HA VAL 12 HA VAL 12 -10.338 -0.844 13.972 82 HB VAL 12 HB VAL 12 -7.410 -1.274 13.356 83 HG11 VAL 12 HG11 VAL 12 -7.383 0.140 15.170 84 HG12 VAL 12 HG12 VAL 12 -7.456 -1.430 15.970 85 HG13 VAL 12 HG13 VAL 12 -8.918 -0.460 15.798 86 HG21 VAL 12 HG21 VAL 12 -7.787 -3.290 14.889 87 HG22 VAL 12 HG22 VAL 12 -8.370 -3.404 13.228 88 HG23 VAL 12 HG23 VAL 12 -9.502 -3.071 14.538 89 H SER 13 HN SER 13 -10.360 1.228 14.604 90 HA SER 13 HA SER 13 -9.546 3.250 12.713 91 HB2 SER 13 HB2 SER 13 -10.599 4.827 14.294 92 HB3 SER 13 HB1 SER 13 -11.674 3.485 13.904 93 HG SER 13 HG SER 13 -11.378 4.145 16.220 94 H GLY 14 HN GLY 14 -7.565 4.065 12.653 95 HA2 GLY 14 HA2 GLY 14 -6.220 4.778 15.132 96 HA3 GLY 14 HA1 GLY 14 -5.405 3.579 14.140 97 H ILE 15 HN ILE 15 -4.098 5.879 14.690 98 HA ILE 15 HA ILE 15 -4.389 7.545 12.284 99 HB ILE 15 HB ILE 15 -2.703 8.201 14.693 100 HG12 ILE 15 HG12 ILE 15 -4.978 7.929 15.491 101 HG13 ILE 15 HG11 ILE 15 -4.590 9.645 15.427 102 HG21 ILE 15 HG21 ILE 15 -3.709 9.726 12.317 103 HG22 ILE 15 HG22 ILE 15 -2.055 9.549 12.904 104 HG23 ILE 15 HG23 ILE 15 -3.204 10.550 13.791 105 HD11 ILE 15 HD11 ILE 15 -6.775 8.315 14.274 106 HD12 ILE 15 HD12 ILE 15 -5.748 8.853 12.944 107 HD13 ILE 15 HD13 ILE 15 -6.337 10.018 14.131 108 H ILE 16 HN ILE 16 -2.783 7.703 10.805 109 HA ILE 16 HA ILE 16 -0.480 5.930 11.184 110 HB ILE 16 HB ILE 16 -2.184 6.032 9.091 111 HG12 ILE 16 HG12 ILE 16 0.627 5.421 8.367 112 HG13 ILE 16 HG11 ILE 16 -0.033 4.576 9.764 113 HG21 ILE 16 HG21 ILE 16 -1.314 8.352 8.555 114 HG22 ILE 16 HG22 ILE 16 -1.318 7.187 7.232 115 HG23 ILE 16 HG23 ILE 16 0.188 7.566 8.067 116 HD11 ILE 16 HD11 ILE 16 -0.768 4.375 6.900 117 HD12 ILE 16 HD12 ILE 16 -2.026 4.113 8.108 118 HD13 ILE 16 HD13 ILE 16 -0.575 3.111 8.114 119 H ALA 17 HN ALA 17 1.571 6.660 11.223 120 HA ALA 17 HA ALA 17 2.003 9.536 10.742 121 HB1 ALA 17 HB1 ALA 17 3.754 9.422 12.519 122 HB2 ALA 17 HB2 ALA 17 3.185 7.797 12.900 123 HB3 ALA 17 HB3 ALA 17 2.108 9.179 13.104 124 H ILE 18 HN ILE 18 3.252 9.838 9.028 125 HA ILE 18 HA ILE 18 5.043 7.734 8.125 126 HB ILE 18 HB ILE 18 4.566 10.421 6.839 127 HG12 ILE 18 HG12 ILE 18 3.146 7.790 6.363 128 HG13 ILE 18 HG11 ILE 18 2.436 9.234 7.078 129 HG21 ILE 18 HG21 ILE 18 5.812 7.848 5.920 130 HG22 ILE 18 HG22 ILE 18 6.513 9.467 5.940 131 HG23 ILE 18 HG23 ILE 18 5.238 9.072 4.787 132 HD11 ILE 18 HD11 ILE 18 3.616 9.319 4.336 133 HD12 ILE 18 HD12 ILE 18 2.392 10.363 5.060 134 HD13 ILE 18 HD13 ILE 18 1.983 8.709 4.604 135 H ASN 19 HN ASN 19 7.210 7.772 8.256 136 HA ASN 19 HA ASN 19 8.441 10.120 9.532 137 HB2 ASN 19 HB2 ASN 19 8.905 7.192 9.763 138 HB3 ASN 19 HB1 ASN 19 10.316 8.239 9.878 139 HD21 ASN 19 HD21 ASN 19 10.830 8.726 11.871 140 HD22 ASN 19 HD22 ASN 19 9.734 8.940 13.190 141 H GLU 20 HN GLU 20 9.050 11.355 7.814 142 HA GLU 20 HA GLU 20 10.708 10.089 5.743 143 HB2 GLU 20 HB2 GLU 20 10.240 12.066 4.378 144 HB3 GLU 20 HB1 GLU 20 8.751 11.295 4.905 145 HG2 GLU 20 HG2 GLU 20 8.114 13.344 5.493 146 HG3 GLU 20 HG1 GLU 20 9.171 13.121 6.886 147 H ASP 21 HN ASP 21 11.607 10.844 8.454 148 HA ASP 21 HA ASP 21 13.443 13.052 7.890 149 HB2 ASP 21 HB2 ASP 21 12.023 12.805 10.060 150 HB3 ASP 21 HB1 ASP 21 13.254 11.638 10.533 151 H VAL 22 HN VAL 22 13.357 9.614 8.482 152 HA VAL 22 HA VAL 22 16.231 9.389 8.731 153 HB VAL 22 HB VAL 22 15.747 6.907 8.665 154 HG11 VAL 22 HG11 VAL 22 14.044 8.021 10.812 155 HG12 VAL 22 HG12 VAL 22 15.700 8.620 10.713 156 HG13 VAL 22 HG13 VAL 22 15.396 6.894 10.905 157 HG21 VAL 22 HG21 VAL 22 13.391 7.617 7.543 158 HG22 VAL 22 HG22 VAL 22 12.902 7.397 9.224 159 HG23 VAL 22 HG23 VAL 22 13.679 6.076 8.351 160 H SER 23 HN SER 23 17.085 7.367 7.309 161 HA SER 23 HA SER 23 17.221 8.385 4.657 162 HB2 SER 23 HB2 SER 23 18.294 5.816 4.575 163 HB3 SER 23 HB1 SER 23 19.179 7.309 4.882 164 HG SER 23 HG SER 23 19.378 6.765 6.905 165 HA PRO 24 HA PRO 24 14.808 4.452 3.339 166 HB2 PRO 24 HB2 PRO 24 13.841 2.783 5.228 167 HB3 PRO 24 HB1 PRO 24 15.487 2.649 4.599 168 HG2 PRO 24 HG2 PRO 24 14.526 3.915 7.137 169 HG3 PRO 24 HG1 PRO 24 15.929 2.862 6.874 170 HD2 PRO 24 HD2 PRO 24 16.127 5.566 7.057 171 HD3 PRO 24 HD1 PRO 24 17.229 4.582 6.072 172 H ALA 25 HN ALA 25 13.685 5.903 6.358 173 HA ALA 25 HA ALA 25 11.708 6.872 6.946 174 HB1 ALA 25 HB1 ALA 25 10.267 7.760 5.196 175 HB2 ALA 25 HB2 ALA 25 11.126 6.806 3.987 176 HB3 ALA 25 HB3 ALA 25 11.961 8.103 4.844 177 H GLU 26 HN GLU 26 9.917 6.033 7.844 178 HA GLU 26 HA GLU 26 8.683 3.694 6.558 179 HB2 GLU 26 HB2 GLU 26 9.139 3.884 9.532 180 HB3 GLU 26 HB1 GLU 26 8.581 2.491 8.615 181 HG2 GLU 26 HG2 GLU 26 10.723 2.178 7.635 182 HG3 GLU 26 HG1 GLU 26 11.305 3.714 8.275 183 H LEU 27 HN LEU 27 6.552 3.135 7.639 184 HA LEU 27 HA LEU 27 5.119 5.596 8.402 185 HB2 LEU 27 HB2 LEU 27 4.490 5.080 6.155 186 HB3 LEU 27 HB1 LEU 27 4.270 3.384 6.539 187 HG LEU 27 HG LEU 27 2.560 5.395 7.930 188 HD11 LEU 27 HD11 LEU 27 0.972 4.784 5.871 189 HD12 LEU 27 HD12 LEU 27 2.527 4.786 5.039 190 HD13 LEU 27 HD13 LEU 27 1.989 6.225 5.905 191 HD21 LEU 27 HD21 LEU 27 1.647 3.516 8.680 192 HD22 LEU 27 HD22 LEU 27 2.698 2.549 7.645 193 HD23 LEU 27 HD23 LEU 27 1.150 3.130 7.032 194 H THR 28 HN THR 28 4.413 5.442 10.423 195 HA THR 28 HA THR 28 3.906 2.798 11.571 196 HB THR 28 HB THR 28 3.874 5.390 13.096 197 HG1 THR 28 HG1 THR 28 5.877 5.605 12.519 198 HG21 THR 28 HG21 THR 28 4.559 2.563 13.853 199 HG22 THR 28 HG22 THR 28 3.168 3.507 14.385 200 HG23 THR 28 HG23 THR 28 4.793 3.965 14.898 201 H TRP 29 HN TRP 29 1.989 2.322 12.707 202 HA TRP 29 HA TRP 29 -0.262 4.157 12.349 203 HB2 TRP 29 HB2 TRP 29 -0.440 2.725 10.422 204 HB3 TRP 29 HB1 TRP 29 -0.192 1.286 11.404 205 HD1 TRP 29 HD1 TRP 29 -2.825 4.120 11.047 206 HE1 TRP 29 HE1 TRP 29 -5.139 3.113 11.552 207 HE3 TRP 29 HE3 TRP 29 -1.390 -0.624 12.306 208 HZ2 TRP 29 HZ2 TRP 29 -6.214 0.636 12.375 209 HZ3 TRP 29 HZ3 TRP 29 -3.124 -2.251 12.940 210 HH2 TRP 29 HH2 TRP 29 -5.485 -1.633 12.974 211 H ARG 30 HN ARG 30 -0.885 4.508 14.381 212 HA ARG 30 HA ARG 30 -1.012 2.216 16.226 213 HB2 ARG 30 HB2 ARG 30 -0.852 3.827 18.051 214 HB3 ARG 30 HB1 ARG 30 0.505 4.008 16.947 215 HG2 ARG 30 HG2 ARG 30 -0.901 5.862 15.855 216 HG3 ARG 30 HG1 ARG 30 -1.851 5.808 17.341 217 HD2 ARG 30 HD2 ARG 30 -0.025 7.514 17.335 218 HD3 ARG 30 HD1 ARG 30 0.053 6.361 18.666 219 HE ARG 30 HE ARG 30 1.630 5.597 16.390 220 HH11 ARG 30 HH11 ARG 30 1.585 7.472 19.333 221 HH12 ARG 30 HH12 ARG 30 3.306 7.452 19.519 222 HH21 ARG 30 HH21 ARG 30 3.894 5.570 16.633 223 HH22 ARG 30 HH22 ARG 30 4.618 6.373 17.986 224 H SER 31 HN SER 31 -2.899 1.692 17.203 225 HA SER 31 HA SER 31 -5.330 2.481 16.069 226 HB2 SER 31 HB2 SER 31 -5.321 0.380 17.135 227 HB3 SER 31 HB1 SER 31 -4.635 1.038 18.620 228 HG SER 31 HG SER 31 -7.256 1.428 17.609 229 H THR 32 HN THR 32 -6.964 3.851 16.733 230 HA THR 32 HA THR 32 -6.224 6.260 17.950 231 HB THR 32 HB THR 32 -8.751 6.627 18.094 232 HG1 THR 32 HG1 THR 32 -9.602 4.637 18.153 233 HG21 THR 32 HG21 THR 32 -8.994 7.082 15.836 234 HG22 THR 32 HG22 THR 32 -7.961 5.737 15.353 235 HG23 THR 32 HG23 THR 32 -7.251 7.174 16.089 236 H ASP 33 HN ASP 33 -7.756 3.374 19.257 237 HA ASP 33 HA ASP 33 -6.922 3.980 21.903 238 HB2 ASP 33 HB2 ASP 33 -9.021 5.459 21.462 239 HB3 ASP 33 HB1 ASP 33 -9.913 3.950 21.632 240 H GLY 34 HN GLY 34 -6.071 1.849 21.302 241 HA2 GLY 34 HA2 GLY 34 -7.818 -0.234 22.309 242 HA3 GLY 34 HA1 GLY 34 -7.330 -0.432 20.632 243 H ASP 35 HN ASP 35 -5.517 -1.524 20.260 244 HA ASP 35 HA ASP 35 -3.163 -1.313 21.791 245 HB2 ASP 35 HB2 ASP 35 -4.935 -2.803 23.166 246 HB3 ASP 35 HB1 ASP 35 -4.220 -4.061 22.162 247 H LYS 36 HN LYS 36 -3.937 -1.281 19.056 248 HA LYS 36 HA LYS 36 -2.278 -3.496 18.065 249 HB2 LYS 36 HB2 LYS 36 -5.026 -2.738 17.244 250 HB3 LYS 36 HB1 LYS 36 -3.907 -3.146 15.951 251 HG2 LYS 36 HG2 LYS 36 -4.876 -5.179 16.399 252 HG3 LYS 36 HG1 LYS 36 -3.418 -5.251 17.391 253 HD2 LYS 36 HD2 LYS 36 -5.085 -4.143 19.165 254 HD3 LYS 36 HD1 LYS 36 -6.261 -5.033 18.195 255 HE2 LYS 36 HE2 LYS 36 -3.807 -6.199 19.506 256 HE3 LYS 36 HE1 LYS 36 -5.462 -6.361 20.091 257 HZ1 LYS 36 HZ1 LYS 36 -5.954 -7.897 18.539 258 HZ2 LYS 36 HZ2 LYS 36 -4.282 -8.154 18.533 259 HZ3 LYS 36 HZ3 LYS 36 -4.992 -7.184 17.343 260 H VAL 37 HN VAL 37 -0.548 -2.727 17.065 261 HA VAL 37 HA VAL 37 -0.796 -0.251 15.501 262 HB VAL 37 HB VAL 37 0.273 0.296 17.651 263 HG11 VAL 37 HG11 VAL 37 1.948 -0.869 18.582 264 HG12 VAL 37 HG12 VAL 37 2.780 -1.091 17.043 265 HG13 VAL 37 HG13 VAL 37 1.445 -2.156 17.485 266 HG21 VAL 37 HG21 VAL 37 2.507 1.121 16.585 267 HG22 VAL 37 HG22 VAL 37 0.967 1.759 16.011 268 HG23 VAL 37 HG23 VAL 37 1.799 0.504 15.093 269 H HIS 38 HN HIS 38 0.290 -0.215 13.586 270 HA HIS 38 HA HIS 38 2.059 -2.479 12.968 271 HB2 HIS 38 HB2 HIS 38 -0.262 -2.844 12.063 272 HB3 HIS 38 HB1 HIS 38 -0.030 -1.416 11.061 273 HD1 HIS 38 HD1 HIS 38 2.446 -4.226 11.679 274 HD2 HIS 38 HD2 HIS 38 0.249 -2.521 8.591 275 HE1 HIS 38 HE1 HIS 38 3.224 -5.380 9.584 276 HE2 HIS 38 HE2 HIS 38 1.819 -4.393 7.740 277 H THR 39 HN THR 39 3.693 -2.068 11.469 278 HA THR 39 HA THR 39 3.996 0.740 10.639 279 HB THR 39 HB THR 39 6.447 -0.817 11.264 280 HG1 THR 39 HG1 THR 39 5.655 -1.247 13.175 281 HG21 THR 39 HG21 THR 39 6.541 1.661 12.493 282 HG22 THR 39 HG22 THR 39 5.692 1.949 10.974 283 HG23 THR 39 HG23 THR 39 7.291 1.205 10.964 284 H VAL 40 HN VAL 40 5.059 1.105 8.681 285 HA VAL 40 HA VAL 40 5.825 -1.232 7.095 286 HB VAL 40 HB VAL 40 3.822 0.835 6.173 287 HG11 VAL 40 HG11 VAL 40 3.849 -1.017 4.213 288 HG12 VAL 40 HG12 VAL 40 5.545 -1.043 4.694 289 HG13 VAL 40 HG13 VAL 40 4.800 0.468 4.172 290 HG21 VAL 40 HG21 VAL 40 2.464 -0.619 7.248 291 HG22 VAL 40 HG22 VAL 40 3.628 -1.941 7.155 292 HG23 VAL 40 HG23 VAL 40 2.641 -1.535 5.751 293 H VAL 41 HN VAL 41 7.752 -0.876 6.244 294 HA VAL 41 HA VAL 41 8.916 1.748 6.209 295 HB VAL 41 HB VAL 41 10.021 -0.806 5.029 296 HG11 VAL 41 HG11 VAL 41 11.076 1.933 5.397 297 HG12 VAL 41 HG12 VAL 41 11.442 0.732 4.159 298 HG13 VAL 41 HG13 VAL 41 12.175 0.602 5.757 299 HG21 VAL 41 HG21 VAL 41 9.414 -0.454 7.647 300 HG22 VAL 41 HG22 VAL 41 11.062 0.173 7.598 301 HG23 VAL 41 HG23 VAL 41 10.728 -1.473 7.059 302 H LEU 42 HN LEU 42 8.109 3.124 4.728 303 HA LEU 42 HA LEU 42 7.042 2.500 2.243 304 HB2 LEU 42 HB2 LEU 42 8.444 5.039 3.079 305 HB3 LEU 42 HB1 LEU 42 7.406 4.871 1.676 306 HG LEU 42 HG LEU 42 6.576 4.657 4.568 307 HD11 LEU 42 HD11 LEU 42 5.014 6.547 3.516 308 HD12 LEU 42 HD12 LEU 42 6.433 6.755 2.490 309 HD13 LEU 42 HD13 LEU 42 6.583 6.897 4.241 310 HD21 LEU 42 HD21 LEU 42 5.299 3.709 2.103 311 HD22 LEU 42 HD22 LEU 42 4.271 4.708 3.130 312 HD23 LEU 42 HD23 LEU 42 5.015 3.248 3.781 313 H SER 43 HN SER 43 10.348 2.692 3.229 314 HA SER 43 HA SER 43 11.608 3.240 0.798 315 HB2 SER 43 HB2 SER 43 12.473 2.739 3.332 316 HB3 SER 43 HB1 SER 43 12.949 1.249 2.518 317 HG SER 43 HG SER 43 14.408 2.311 1.419 318 H THR 44 HN THR 44 10.519 0.162 2.176 319 HA THR 44 HA THR 44 11.532 -1.435 0.048 320 HB THR 44 HB THR 44 11.065 -2.331 2.303 321 HG1 THR 44 HG1 THR 44 10.769 -4.192 1.402 322 HG21 THR 44 HG21 THR 44 9.151 -1.876 3.311 323 HG22 THR 44 HG22 THR 44 8.374 -2.997 2.194 324 HG23 THR 44 HG23 THR 44 8.433 -1.275 1.816 325 H ILE 45 HN ILE 45 8.603 0.363 0.554 326 HA ILE 45 HA ILE 45 6.895 -0.925 -1.246 327 HB ILE 45 HB ILE 45 6.984 2.038 -0.666 328 HG12 ILE 45 HG12 ILE 45 6.878 0.703 1.402 329 HG13 ILE 45 HG11 ILE 45 5.373 1.570 1.116 330 HG21 ILE 45 HG21 ILE 45 4.600 1.982 -1.222 331 HG22 ILE 45 HG22 ILE 45 4.736 0.270 -1.620 332 HG23 ILE 45 HG23 ILE 45 5.597 1.470 -2.584 333 HD11 ILE 45 HD11 ILE 45 4.464 -0.550 0.132 334 HD12 ILE 45 HD12 ILE 45 4.803 -0.596 1.862 335 HD13 ILE 45 HD13 ILE 45 5.916 -1.356 0.724 336 H ASP 46 HN ASP 46 6.326 -0.431 -3.410 337 HA ASP 46 HA ASP 46 8.445 0.932 -4.940 338 HB2 ASP 46 HB2 ASP 46 8.335 -1.619 -5.138 339 HB3 ASP 46 HB1 ASP 46 6.820 -1.375 -6.002 340 H LYS 47 HN LYS 47 5.019 0.017 -4.879 341 HA LYS 47 HA LYS 47 4.442 2.434 -6.454 342 HB2 LYS 47 HB2 LYS 47 2.830 -0.092 -6.731 343 HB3 LYS 47 HB1 LYS 47 2.833 1.321 -7.777 344 HG2 LYS 47 HG2 LYS 47 5.465 0.327 -7.770 345 HG3 LYS 47 HG1 LYS 47 4.395 -1.065 -7.952 346 HD2 LYS 47 HD2 LYS 47 3.707 1.291 -9.583 347 HD3 LYS 47 HD1 LYS 47 5.223 0.492 -10.003 348 HE2 LYS 47 HE2 LYS 47 4.168 -1.505 -10.538 349 HE3 LYS 47 HE1 LYS 47 2.732 -1.113 -9.595 350 HZ1 LYS 47 HZ1 LYS 47 2.166 -0.903 -11.868 351 HZ2 LYS 47 HZ2 LYS 47 3.536 0.027 -12.211 352 HZ3 LYS 47 HZ3 LYS 47 2.292 0.672 -11.264 353 H LEU 48 HN LEU 48 2.108 3.095 -6.257 354 HA LEU 48 HA LEU 48 0.801 2.269 -3.794 355 HB2 LEU 48 HB2 LEU 48 0.567 4.656 -3.062 356 HB3 LEU 48 HB1 LEU 48 2.181 3.985 -2.916 357 HG LEU 48 HG LEU 48 2.355 5.123 -5.368 358 HD11 LEU 48 HD11 LEU 48 0.989 6.862 -5.712 359 HD12 LEU 48 HD12 LEU 48 1.016 7.347 -4.017 360 HD13 LEU 48 HD13 LEU 48 -0.066 6.060 -4.549 361 HD21 LEU 48 HD21 LEU 48 2.779 6.846 -2.969 362 HD22 LEU 48 HD22 LEU 48 3.806 6.616 -4.384 363 HD23 LEU 48 HD23 LEU 48 3.709 5.359 -3.151 364 H GLN 49 HN GLN 49 -1.220 1.881 -4.392 365 HA GLN 49 HA GLN 49 -2.445 3.620 -6.429 366 HB2 GLN 49 HB2 GLN 49 -2.151 0.885 -6.487 367 HB3 GLN 49 HB1 GLN 49 -3.792 1.073 -5.884 368 HG2 GLN 49 HG2 GLN 49 -4.281 1.096 -8.076 369 HG3 GLN 49 HG1 GLN 49 -3.877 2.805 -7.920 370 HE21 GLN 49 HE21 GLN 49 -1.281 2.994 -7.965 371 HE22 GLN 49 HE22 GLN 49 -0.587 2.295 -9.385 372 H ALA 50 HN ALA 50 -4.831 3.866 -6.229 373 HA ALA 50 HA ALA 50 -5.897 3.608 -3.533 374 HB1 ALA 50 HB1 ALA 50 -4.674 5.823 -3.716 375 HB2 ALA 50 HB2 ALA 50 -6.356 5.893 -3.192 376 HB3 ALA 50 HB3 ALA 50 -5.932 6.308 -4.853 377 H THR 51 HN THR 51 -8.143 3.626 -3.438 378 HA THR 51 HA THR 51 -9.520 2.722 -5.699 379 HB THR 51 HB THR 51 -11.515 2.841 -4.361 380 HG1 THR 51 HG1 THR 51 -11.626 4.723 -3.375 381 HG21 THR 51 HG21 THR 51 -10.967 1.431 -2.682 382 HG22 THR 51 HG22 THR 51 -9.585 2.397 -2.168 383 HG23 THR 51 HG23 THR 51 -9.457 1.363 -3.591 384 HA PRO 52 HA PRO 52 -10.597 6.409 -7.870 385 HB2 PRO 52 HB2 PRO 52 -12.922 5.651 -9.045 386 HB3 PRO 52 HB1 PRO 52 -11.344 5.048 -9.566 387 HG2 PRO 52 HG2 PRO 52 -13.378 3.747 -7.796 388 HG3 PRO 52 HG1 PRO 52 -12.419 3.037 -9.108 389 HD2 PRO 52 HD2 PRO 52 -11.771 2.729 -6.496 390 HD3 PRO 52 HD1 PRO 52 -10.548 2.801 -7.782 391 H ALA 53 HN ALA 53 -12.096 8.159 -7.930 392 HA ALA 53 HA ALA 53 -13.270 8.799 -5.471 393 HB1 ALA 53 HB1 ALA 53 -14.406 10.642 -6.844 394 HB2 ALA 53 HB2 ALA 53 -13.503 9.993 -8.213 395 HB3 ALA 53 HB3 ALA 53 -12.643 10.612 -6.804 396 H SER 54 HN SER 54 -14.558 7.197 -8.285 397 HA SER 54 HA SER 54 -17.307 7.537 -7.718 398 HB2 SER 54 HB2 SER 54 -16.228 5.113 -9.130 399 HB3 SER 54 HB1 SER 54 -17.709 6.016 -9.450 400 HG SER 54 HG SER 54 -15.992 6.389 -10.984 401 H SER 55 HN SER 55 -14.888 5.305 -6.563 402 HA SER 55 HA SER 55 -16.535 3.287 -5.547 403 HB2 SER 55 HB2 SER 55 -13.997 3.273 -5.741 404 HB3 SER 55 HB1 SER 55 -13.969 4.212 -4.249 405 HG SER 55 HG SER 55 -15.259 1.700 -4.522 406 H GLU 56 HN GLU 56 -17.873 3.173 -3.861 407 HA GLU 56 HA GLU 56 -18.663 5.438 -2.421 408 HB2 GLU 56 HB2 GLU 56 -19.063 2.518 -1.746 409 HB3 GLU 56 HB1 GLU 56 -19.927 3.854 -0.998 410 HG2 GLU 56 HG2 GLU 56 -20.884 4.448 -3.167 411 HG3 GLU 56 HG1 GLU 56 -20.024 3.100 -3.910 412 H LYS 57 HN LYS 57 -16.250 3.004 -1.754 413 HA LYS 57 HA LYS 57 -15.653 4.343 0.803 414 HB2 LYS 57 HB2 LYS 57 -14.513 2.174 1.411 415 HB3 LYS 57 HB1 LYS 57 -16.265 2.096 1.280 416 HG2 LYS 57 HG2 LYS 57 -14.757 1.451 -1.169 417 HG3 LYS 57 HG1 LYS 57 -14.605 0.308 0.168 418 HD2 LYS 57 HD2 LYS 57 -17.013 0.063 0.274 419 HD3 LYS 57 HD1 LYS 57 -17.218 1.287 -0.981 420 HE2 LYS 57 HE2 LYS 57 -16.068 -0.137 -2.582 421 HE3 LYS 57 HE1 LYS 57 -15.788 -1.346 -1.329 422 HZ1 LYS 57 HZ1 LYS 57 -18.284 -0.641 -2.705 423 HZ2 LYS 57 HZ2 LYS 57 -18.366 -1.246 -1.128 424 HZ3 LYS 57 HZ3 LYS 57 -17.646 -2.168 -2.350 425 H MET 58 HN MET 58 -13.885 5.547 0.765 426 HA MET 58 HA MET 58 -11.943 5.247 -1.360 427 HB2 MET 58 HB2 MET 58 -11.871 7.184 0.955 428 HB3 MET 58 HB1 MET 58 -10.997 7.306 -0.566 429 HG2 MET 58 HG2 MET 58 -12.663 8.714 -1.087 430 HG3 MET 58 HG1 MET 58 -13.506 7.222 -1.500 431 HE1 MET 58 HE1 MET 58 -13.434 8.456 2.700 432 HE2 MET 58 HE2 MET 58 -13.754 10.006 1.922 433 HE3 MET 58 HE3 MET 58 -12.338 9.062 1.457 434 H MET 59 HN MET 59 -10.166 4.055 -1.214 435 HA MET 59 HA MET 59 -8.856 3.725 1.378 436 HB2 MET 59 HB2 MET 59 -9.385 1.358 -0.415 437 HB3 MET 59 HB1 MET 59 -8.711 1.346 1.209 438 HG2 MET 59 HG2 MET 59 -11.098 2.532 1.660 439 HG3 MET 59 HG1 MET 59 -11.503 1.463 0.319 440 HE1 MET 59 HE1 MET 59 -12.483 -1.002 0.999 441 HE2 MET 59 HE2 MET 59 -11.181 -2.026 1.603 442 HE3 MET 59 HE3 MET 59 -10.901 -0.967 0.220 443 H LEU 60 HN LEU 60 -6.642 3.140 1.248 444 HA LEU 60 HA LEU 60 -5.459 3.445 -1.434 445 HB2 LEU 60 HB2 LEU 60 -4.806 4.788 1.141 446 HB3 LEU 60 HB1 LEU 60 -3.479 4.393 0.066 447 HG LEU 60 HG LEU 60 -4.553 5.703 -1.727 448 HD11 LEU 60 HD11 LEU 60 -6.843 5.609 -1.277 449 HD12 LEU 60 HD12 LEU 60 -6.400 7.280 -0.930 450 HD13 LEU 60 HD13 LEU 60 -6.630 6.136 0.392 451 HD21 LEU 60 HD21 LEU 60 -3.943 7.022 0.899 452 HD22 LEU 60 HD22 LEU 60 -4.326 7.958 -0.546 453 HD23 LEU 60 HD23 LEU 60 -2.925 6.888 -0.535 454 H ARG 61 HN ARG 61 -3.477 2.337 -1.808 455 HA ARG 61 HA ARG 61 -2.621 0.407 0.201 456 HB2 ARG 61 HB2 ARG 61 -2.784 -1.487 -1.314 457 HB3 ARG 61 HB1 ARG 61 -4.366 -0.753 -1.095 458 HG2 ARG 61 HG2 ARG 61 -4.346 -1.101 -3.356 459 HG3 ARG 61 HG1 ARG 61 -3.742 0.555 -3.266 460 HD2 ARG 61 HD2 ARG 61 -1.660 -0.025 -3.940 461 HD3 ARG 61 HD1 ARG 61 -1.712 -1.582 -3.114 462 HE ARG 61 HE ARG 61 -2.292 -1.099 -5.841 463 HH11 ARG 61 HH11 ARG 61 -3.335 -3.020 -3.120 464 HH12 ARG 61 HH12 ARG 61 -3.946 -4.307 -4.104 465 HH21 ARG 61 HH21 ARG 61 -3.094 -2.791 -7.136 466 HH22 ARG 61 HH22 ARG 61 -3.809 -4.178 -6.383 467 H LEU 62 HN LEU 62 -0.540 -0.469 -0.172 468 HA LEU 62 HA LEU 62 1.022 0.954 -2.227 469 HB2 LEU 62 HB2 LEU 62 2.099 0.068 0.442 470 HB3 LEU 62 HB1 LEU 62 2.865 1.123 -0.729 471 HG LEU 62 HG LEU 62 2.151 2.531 1.015 472 HD11 LEU 62 HD11 LEU 62 1.108 4.087 -0.217 473 HD12 LEU 62 HD12 LEU 62 -0.240 3.021 -0.612 474 HD13 LEU 62 HD13 LEU 62 1.268 2.910 -1.520 475 HD21 LEU 62 HD21 LEU 62 0.325 2.254 2.308 476 HD22 LEU 62 HD22 LEU 62 0.385 0.611 1.671 477 HD23 LEU 62 HD23 LEU 62 -0.702 1.797 0.949 478 H ILE 63 HN ILE 63 2.547 -0.203 -3.355 479 HA ILE 63 HA ILE 63 2.341 -3.115 -3.108 480 HB ILE 63 HB ILE 63 3.662 -1.591 -5.348 481 HG12 ILE 63 HG12 ILE 63 1.322 -0.859 -5.139 482 HG13 ILE 63 HG11 ILE 63 1.566 -1.818 -6.595 483 HG21 ILE 63 HG21 ILE 63 2.943 -4.417 -4.821 484 HG22 ILE 63 HG22 ILE 63 4.335 -3.738 -5.666 485 HG23 ILE 63 HG23 ILE 63 2.770 -3.827 -6.474 486 HD11 ILE 63 HD11 ILE 63 -0.381 -2.710 -5.824 487 HD12 ILE 63 HD12 ILE 63 0.045 -2.463 -4.130 488 HD13 ILE 63 HD13 ILE 63 0.782 -3.781 -5.042 489 H GLY 64 HN GLY 64 4.069 -4.426 -2.718 490 HA2 GLY 64 HA2 GLY 64 6.385 -3.197 -1.518 491 HA3 GLY 64 HA1 GLY 64 6.060 -4.920 -1.637 492 H LYS 65 HN LYS 65 8.597 -3.910 -2.048 493 HA LYS 65 HA LYS 65 9.163 -3.430 -4.789 494 HB2 LYS 65 HB2 LYS 65 10.624 -3.562 -2.326 495 HB3 LYS 65 HB1 LYS 65 11.455 -4.532 -3.535 496 HG2 LYS 65 HG2 LYS 65 11.966 -2.735 -4.833 497 HG3 LYS 65 HG1 LYS 65 10.542 -1.824 -4.326 498 HD2 LYS 65 HD2 LYS 65 11.700 -1.731 -2.022 499 HD3 LYS 65 HD1 LYS 65 13.159 -2.182 -2.907 500 HE2 LYS 65 HE2 LYS 65 11.419 0.215 -3.482 501 HE3 LYS 65 HE1 LYS 65 12.964 0.249 -2.634 502 HZ1 LYS 65 HZ1 LYS 65 12.953 -1.000 -5.263 503 HZ2 LYS 65 HZ2 LYS 65 14.118 -0.011 -4.539 504 HZ3 LYS 65 HZ3 LYS 65 12.738 0.678 -5.232 505 H VAL 66 HN VAL 66 10.520 -4.858 -6.145 506 HA VAL 66 HA VAL 66 9.974 -7.713 -5.684 507 HB VAL 66 HB VAL 66 9.804 -6.440 -8.411 508 HG11 VAL 66 HG11 VAL 66 9.059 -9.142 -7.310 509 HG12 VAL 66 HG12 VAL 66 10.280 -8.769 -8.527 510 HG13 VAL 66 HG13 VAL 66 8.569 -8.568 -8.905 511 HG21 VAL 66 HG21 VAL 66 7.241 -7.227 -7.691 512 HG22 VAL 66 HG22 VAL 66 7.838 -5.573 -7.821 513 HG23 VAL 66 HG23 VAL 66 7.861 -6.398 -6.263 514 H ASP 67 HN ASP 67 11.387 -9.163 -6.901 515 HA ASP 67 HA ASP 67 13.883 -7.959 -7.844 516 HB2 ASP 67 HB2 ASP 67 13.773 -8.871 -5.301 517 HB3 ASP 67 HB1 ASP 67 14.212 -10.357 -6.137 518 H GLU 68 HN GLU 68 12.223 -8.833 -9.648 519 HA GLU 68 HA GLU 68 12.578 -11.656 -10.189 520 HB2 GLU 68 HB2 GLU 68 11.259 -11.139 -12.254 521 HB3 GLU 68 HB1 GLU 68 10.441 -10.732 -10.752 522 HG2 GLU 68 HG2 GLU 68 10.615 -8.471 -11.106 523 HG3 GLU 68 HG1 GLU 68 12.019 -8.637 -12.161 524 H SER 69 HN SER 69 14.983 -11.333 -10.206 525 HA SER 69 HA SER 69 15.881 -11.235 -12.934 526 HB2 SER 69 HB2 SER 69 17.770 -9.541 -12.069 527 HB3 SER 69 HB1 SER 69 16.274 -8.983 -12.818 528 HG SER 69 HG SER 69 17.139 -8.316 -10.480 529 H LYS 70 HN LYS 70 15.788 -13.100 -10.667 530 HA LYS 70 HA LYS 70 18.467 -14.107 -10.900 531 HB2 LYS 70 HB2 LYS 70 17.458 -13.035 -8.272 532 HB3 LYS 70 HB1 LYS 70 18.703 -14.274 -8.350 533 HG2 LYS 70 HG2 LYS 70 19.998 -12.679 -9.834 534 HG3 LYS 70 HG1 LYS 70 18.830 -11.448 -9.350 535 HD2 LYS 70 HD2 LYS 70 20.809 -11.340 -7.943 536 HD3 LYS 70 HD1 LYS 70 19.407 -11.842 -6.996 537 HE2 LYS 70 HE2 LYS 70 20.935 -14.046 -8.187 538 HE3 LYS 70 HE1 LYS 70 21.824 -13.098 -6.995 539 HZ1 LYS 70 HZ1 LYS 70 20.819 -14.508 -5.579 540 HZ2 LYS 70 HZ2 LYS 70 19.547 -14.864 -6.635 541 HZ3 LYS 70 HZ3 LYS 70 19.516 -13.439 -5.726 542 H LYS 71 HN LYS 71 16.067 -14.560 -8.322 543 HA LYS 71 HA LYS 71 16.130 -17.359 -8.445 544 HB2 LYS 71 HB2 LYS 71 15.267 -15.794 -6.579 545 HB3 LYS 71 HB1 LYS 71 13.747 -15.821 -7.461 546 HG2 LYS 71 HG2 LYS 71 13.205 -17.752 -6.530 547 HG3 LYS 71 HG1 LYS 71 14.675 -18.498 -7.157 548 HD2 LYS 71 HD2 LYS 71 15.737 -18.358 -5.178 549 HD3 LYS 71 HD1 LYS 71 15.087 -16.754 -4.833 550 HE2 LYS 71 HE2 LYS 71 12.849 -18.055 -4.483 551 HE3 LYS 71 HE1 LYS 71 13.915 -19.443 -4.264 552 HZ1 LYS 71 HZ1 LYS 71 13.554 -17.090 -2.572 553 HZ2 LYS 71 HZ2 LYS 71 15.111 -17.745 -2.660 554 HZ3 LYS 71 HZ3 LYS 71 13.818 -18.704 -2.139 555 H ARG 72 HN ARG 72 14.909 -18.865 -9.484 556 HA ARG 72 HA ARG 72 12.653 -18.016 -11.122 557 HB2 ARG 72 HB2 ARG 72 15.190 -19.215 -12.206 558 HB3 ARG 72 HB1 ARG 72 13.658 -19.405 -13.048 559 HG2 ARG 72 HG2 ARG 72 14.820 -16.734 -12.300 560 HG3 ARG 72 HG1 ARG 72 15.096 -17.525 -13.853 561 HD2 ARG 72 HD2 ARG 72 12.281 -17.352 -13.031 562 HD3 ARG 72 HD1 ARG 72 13.061 -15.800 -13.332 563 HE ARG 72 HE ARG 72 12.368 -17.801 -15.276 564 HH11 ARG 72 HH11 ARG 72 14.462 -15.098 -14.574 565 HH12 ARG 72 HH12 ARG 72 14.752 -14.730 -16.241 566 HH21 ARG 72 HH21 ARG 72 12.750 -17.317 -17.469 567 HH22 ARG 72 HH22 ARG 72 13.780 -15.989 -17.885 568 H LYS 73 HN LYS 73 11.639 -20.005 -12.212 569 HA LYS 73 HA LYS 73 11.021 -21.884 -10.195 570 HB2 LYS 73 HB2 LYS 73 9.822 -23.082 -12.103 571 HB3 LYS 73 HB1 LYS 73 9.297 -21.445 -11.733 572 HG2 LYS 73 HG2 LYS 73 11.407 -21.633 -13.764 573 HG3 LYS 73 HG1 LYS 73 9.863 -22.359 -14.216 574 HD2 LYS 73 HD2 LYS 73 8.764 -20.358 -14.206 575 HD3 LYS 73 HD1 LYS 73 9.805 -19.670 -12.959 576 HE2 LYS 73 HE2 LYS 73 10.511 -18.478 -14.781 577 HE3 LYS 73 HE1 LYS 73 11.628 -19.842 -14.845 578 HZ1 LYS 73 HZ1 LYS 73 9.074 -19.835 -16.339 579 HZ2 LYS 73 HZ2 LYS 73 10.423 -20.828 -16.575 580 HZ3 LYS 73 HZ3 LYS 73 10.495 -19.190 -16.992 581 H ASP 74 HN ASP 74 13.070 -22.757 -9.633 582 HA ASP 74 HA ASP 74 13.779 -25.059 -11.267 583 HB2 ASP 74 HB2 ASP 74 15.652 -22.794 -10.643 584 HB3 ASP 74 HB1 ASP 74 16.267 -24.428 -10.877 585 H ASN 75 HN ASN 75 13.464 -26.647 -9.849 586 HA ASN 75 HA ASN 75 15.151 -27.129 -7.697 587 HB2 ASN 75 HB2 ASN 75 13.084 -25.286 -7.027 588 HB3 ASN 75 HB1 ASN 75 12.740 -26.801 -6.200 589 HD21 ASN 75 HD21 ASN 75 15.856 -25.377 -7.051 590 HD22 ASN 75 HD22 ASN 75 16.432 -25.229 -5.429 591 H GLU 76 HN GLU 76 11.626 -27.531 -7.669 592 HA GLU 76 HA GLU 76 11.546 -30.065 -8.870 593 HB2 GLU 76 HB2 GLU 76 12.213 -30.007 -5.996 594 HB3 GLU 76 HB1 GLU 76 10.913 -31.106 -6.435 595 HG2 GLU 76 HG2 GLU 76 12.346 -32.585 -7.236 596 HG3 GLU 76 HG1 GLU 76 13.094 -31.376 -8.277 597 H GLY 77 HN GLY 77 10.049 -27.643 -8.846 598 HA2 GLY 77 HA2 GLY 77 7.471 -28.460 -9.077 599 HA3 GLY 77 HA1 GLY 77 7.613 -28.091 -7.365 600 H ASN 78 HN ASN 78 9.206 -26.438 -10.040 601 HA ASN 78 HA ASN 78 9.280 -24.242 -10.616 602 HB2 ASN 78 HB2 ASN 78 6.319 -24.230 -10.063 603 HB3 ASN 78 HB1 ASN 78 7.211 -23.251 -11.223 604 HD21 ASN 78 HD21 ASN 78 5.989 -26.437 -10.501 605 HD22 ASN 78 HD22 ASN 78 6.090 -27.055 -12.111 606 H GLU 79 HN GLU 79 10.433 -23.228 -9.075 607 HA GLU 79 HA GLU 79 8.989 -22.149 -6.757 608 HB2 GLU 79 HB2 GLU 79 11.134 -21.933 -5.650 609 HB3 GLU 79 HB1 GLU 79 10.935 -23.578 -6.236 610 HG2 GLU 79 HG2 GLU 79 12.716 -23.441 -7.562 611 HG3 GLU 79 HG1 GLU 79 12.267 -21.843 -8.151 612 H VAL 80 HN VAL 80 8.216 -20.674 -8.622 613 HA VAL 80 HA VAL 80 9.609 -18.804 -9.969 614 HB VAL 80 HB VAL 80 7.713 -17.220 -9.618 615 HG11 VAL 80 HG11 VAL 80 7.098 -18.445 -11.391 616 HG12 VAL 80 HG12 VAL 80 5.982 -19.226 -10.271 617 HG13 VAL 80 HG13 VAL 80 7.545 -19.966 -10.617 618 HG21 VAL 80 HG21 VAL 80 5.732 -18.361 -8.374 619 HG22 VAL 80 HG22 VAL 80 6.963 -17.501 -7.449 620 HG23 VAL 80 HG23 VAL 80 7.006 -19.262 -7.552 621 H VAL 81 HN VAL 81 10.179 -16.583 -9.608 622 HA VAL 81 HA VAL 81 11.858 -16.166 -7.447 623 HB VAL 81 HB VAL 81 12.010 -14.883 -9.532 624 HG11 VAL 81 HG11 VAL 81 10.415 -13.497 -10.333 625 HG12 VAL 81 HG12 VAL 81 9.908 -12.974 -8.727 626 HG13 VAL 81 HG13 VAL 81 9.356 -14.523 -9.366 627 HG21 VAL 81 HG21 VAL 81 12.292 -12.587 -8.450 628 HG22 VAL 81 HG22 VAL 81 13.216 -13.923 -7.764 629 HG23 VAL 81 HG23 VAL 81 11.753 -13.357 -6.958 630 HA PRO 82 HA PRO 82 9.491 -15.368 -3.800 631 HB2 PRO 82 HB2 PRO 82 11.414 -13.054 -3.738 632 HB3 PRO 82 HB1 PRO 82 10.849 -14.072 -2.400 633 HG2 PRO 82 HG2 PRO 82 13.170 -14.628 -3.466 634 HG3 PRO 82 HG1 PRO 82 12.014 -15.946 -3.178 635 HD2 PRO 82 HD2 PRO 82 12.758 -14.624 -5.751 636 HD3 PRO 82 HD1 PRO 82 12.369 -16.325 -5.426 637 H LYS 83 HN LYS 83 7.630 -14.853 -4.873 638 HA LYS 83 HA LYS 83 6.852 -12.601 -6.197 639 HB2 LYS 83 HB2 LYS 83 5.553 -14.782 -5.082 640 HB3 LYS 83 HB1 LYS 83 4.800 -13.405 -4.289 641 HG2 LYS 83 HG2 LYS 83 3.991 -12.537 -6.287 642 HG3 LYS 83 HG1 LYS 83 5.123 -13.476 -7.263 643 HD2 LYS 83 HD2 LYS 83 2.828 -14.608 -5.662 644 HD3 LYS 83 HD1 LYS 83 2.832 -14.353 -7.408 645 HE2 LYS 83 HE2 LYS 83 4.913 -15.842 -7.432 646 HE3 LYS 83 HE1 LYS 83 4.455 -16.294 -5.791 647 HZ1 LYS 83 HZ1 LYS 83 2.172 -16.760 -6.909 648 HZ2 LYS 83 HZ2 LYS 83 3.415 -17.901 -7.023 649 HZ3 LYS 83 HZ3 LYS 83 3.089 -16.873 -8.326 650 HA PRO 84 HA PRO 84 7.162 -9.241 -3.330 651 HB2 PRO 84 HB2 PRO 84 5.500 -7.466 -4.520 652 HB3 PRO 84 HB1 PRO 84 7.093 -7.866 -5.173 653 HG2 PRO 84 HG2 PRO 84 4.401 -8.891 -5.989 654 HG3 PRO 84 HG1 PRO 84 5.757 -8.374 -7.008 655 HD2 PRO 84 HD2 PRO 84 5.221 -10.982 -6.494 656 HD3 PRO 84 HD1 PRO 84 6.868 -10.377 -6.763 657 H GLN 85 HN GLN 85 5.409 -7.487 -2.449 658 HA GLN 85 HA GLN 85 3.081 -9.005 -1.481 659 HB2 GLN 85 HB2 GLN 85 4.699 -7.117 0.230 660 HB3 GLN 85 HB1 GLN 85 3.386 -8.166 0.745 661 HG2 GLN 85 HG2 GLN 85 4.718 -9.953 0.938 662 HG3 GLN 85 HG1 GLN 85 5.628 -9.560 -0.520 663 HE21 GLN 85 HE21 GLN 85 5.249 -8.793 2.890 664 HE22 GLN 85 HE22 GLN 85 6.863 -8.227 3.133 665 H ARG 86 HN ARG 86 1.214 -7.805 -1.053 666 HA ARG 86 HA ARG 86 1.281 -4.978 -1.859 667 HB2 ARG 86 HB2 ARG 86 -0.671 -7.092 -2.774 668 HB3 ARG 86 HB1 ARG 86 -0.945 -5.367 -2.976 669 HG2 ARG 86 HG2 ARG 86 -0.008 -5.722 -4.983 670 HG3 ARG 86 HG1 ARG 86 1.501 -5.586 -4.077 671 HD2 ARG 86 HD2 ARG 86 1.492 -8.046 -3.785 672 HD3 ARG 86 HD1 ARG 86 0.052 -8.131 -4.798 673 HE ARG 86 HE ARG 86 2.757 -7.795 -5.671 674 HH11 ARG 86 HH11 ARG 86 -0.575 -7.129 -6.465 675 HH12 ARG 86 HH12 ARG 86 -0.277 -7.017 -8.167 676 HH21 ARG 86 HH21 ARG 86 3.151 -7.647 -7.909 677 HH22 ARG 86 HH22 ARG 86 1.838 -7.311 -8.988 678 H HIS 87 HN HIS 87 0.822 -3.929 -0.029 679 HA HIS 87 HA HIS 87 -1.255 -4.999 1.746 680 HB2 HIS 87 HB2 HIS 87 0.997 -3.045 2.158 681 HB3 HIS 87 HB1 HIS 87 -0.340 -3.149 3.298 682 HD1 HIS 87 HD1 HIS 87 -0.697 -5.661 4.332 683 HD2 HIS 87 HD2 HIS 87 3.003 -4.802 2.647 684 HE1 HIS 87 HE1 HIS 87 0.875 -7.403 5.237 685 HE2 HIS 87 HE2 HIS 87 3.125 -6.810 4.272 686 H MET 88 HN MET 88 -3.051 -3.810 2.323 687 HA MET 88 HA MET 88 -3.424 -1.221 0.983 688 HB2 MET 88 HB2 MET 88 -5.686 -1.822 0.341 689 HB3 MET 88 HB1 MET 88 -4.548 -2.977 -0.338 690 HG2 MET 88 HG2 MET 88 -6.161 -4.391 0.420 691 HG3 MET 88 HG1 MET 88 -5.110 -4.331 1.834 692 HE1 MET 88 HE1 MET 88 -8.951 -4.639 1.633 693 HE2 MET 88 HE2 MET 88 -8.219 -3.909 0.205 694 HE3 MET 88 HE3 MET 88 -9.313 -2.964 1.215 695 H PHE 89 HN PHE 89 -4.503 0.308 2.132 696 HA PHE 89 HA PHE 89 -5.425 -0.468 4.822 697 HB2 PHE 89 HB2 PHE 89 -4.350 2.239 4.018 698 HB3 PHE 89 HB1 PHE 89 -4.706 1.672 5.647 699 HD1 PHE 89 HD2 PHE 89 -3.472 -0.997 5.617 700 HD2 PHE 89 HD1 PHE 89 -2.081 2.703 4.042 701 HE1 PHE 89 HE2 PHE 89 -1.149 -1.774 5.855 702 HE2 PHE 89 HE1 PHE 89 0.244 1.933 4.276 703 HZ PHE 89 HZ PHE 89 0.713 -0.308 5.184 704 H SER 90 HN SER 90 -7.104 0.985 5.742 705 HA SER 90 HA SER 90 -8.997 1.784 3.635 706 HB2 SER 90 HB2 SER 90 -10.010 1.450 6.391 707 HB3 SER 90 HB1 SER 90 -10.701 0.913 4.860 708 HG SER 90 HG SER 90 -9.035 -0.410 6.609 709 H PHE 91 HN PHE 91 -9.885 3.791 3.621 710 HA PHE 91 HA PHE 91 -9.145 5.625 5.799 711 HB2 PHE 91 HB2 PHE 91 -8.743 5.947 2.850 712 HB3 PHE 91 HB1 PHE 91 -9.064 7.371 3.833 713 HD1 PHE 91 HD2 PHE 91 -6.876 4.348 3.874 714 HD2 PHE 91 HD1 PHE 91 -7.259 8.511 4.666 715 HE1 PHE 91 HE2 PHE 91 -4.499 4.443 4.500 716 HE2 PHE 91 HE1 PHE 91 -4.882 8.615 5.293 717 HZ PHE 91 HZ PHE 91 -3.499 6.579 5.211 718 H ASN 92 HN ASN 92 -10.454 7.729 5.608 719 HA ASN 92 HA ASN 92 -13.152 7.235 4.576 720 HB2 ASN 92 HB2 ASN 92 -12.372 7.676 7.418 721 HB3 ASN 92 HB1 ASN 92 -13.858 8.430 6.848 722 HD21 ASN 92 HD21 ASN 92 -15.586 7.144 6.236 723 HD22 ASN 92 HD22 ASN 92 -15.681 5.469 6.648 724 H ASN 93 HN ASN 93 -11.029 8.905 3.599 725 HA ASN 93 HA ASN 93 -12.482 11.327 3.256 726 HB2 ASN 93 HB2 ASN 93 -10.261 11.253 5.232 727 HB3 ASN 93 HB1 ASN 93 -10.328 12.644 4.153 728 HD21 ASN 93 HD21 ASN 93 -11.159 11.666 7.101 729 HD22 ASN 93 HD22 ASN 93 -12.575 12.620 7.370 730 H ARG 94 HN ARG 94 -11.811 12.438 1.466 731 HA ARG 94 HA ARG 94 -9.881 11.099 -0.215 732 HB2 ARG 94 HB2 ARG 94 -11.991 11.924 -1.159 733 HB3 ARG 94 HB1 ARG 94 -11.553 13.568 -0.717 734 HG2 ARG 94 HG2 ARG 94 -9.531 13.297 -2.204 735 HG3 ARG 94 HG1 ARG 94 -10.274 11.805 -2.785 736 HD2 ARG 94 HD2 ARG 94 -11.956 12.905 -3.876 737 HD3 ARG 94 HD1 ARG 94 -11.920 14.280 -2.773 738 HE ARG 94 HE ARG 94 -10.400 13.953 -5.190 739 HH11 ARG 94 HH11 ARG 94 -10.535 15.554 -2.093 740 HH12 ARG 94 HH12 ARG 94 -9.527 16.872 -2.589 741 HH21 ARG 94 HH21 ARG 94 -9.073 15.684 -5.845 742 HH22 ARG 94 HH22 ARG 94 -8.697 16.946 -4.720 743 H THR 95 HN THR 95 -10.160 14.167 1.495 744 HA THR 95 HA THR 95 -7.747 15.266 0.423 745 HB THR 95 HB THR 95 -9.303 16.058 2.893 746 HG1 THR 95 HG1 THR 95 -9.398 17.144 0.278 747 HG21 THR 95 HG21 THR 95 -6.900 16.934 2.593 748 HG22 THR 95 HG22 THR 95 -8.195 18.081 2.934 749 HG23 THR 95 HG23 THR 95 -7.588 17.900 1.288 750 H VAL 96 HN VAL 96 -8.583 13.319 3.198 751 HA VAL 96 HA VAL 96 -6.114 13.705 4.588 752 HB VAL 96 HB VAL 96 -8.058 11.417 4.906 753 HG11 VAL 96 HG11 VAL 96 -7.099 11.756 7.340 754 HG12 VAL 96 HG12 VAL 96 -5.731 12.429 6.455 755 HG13 VAL 96 HG13 VAL 96 -6.251 10.772 6.148 756 HG21 VAL 96 HG21 VAL 96 -8.999 13.807 5.087 757 HG22 VAL 96 HG22 VAL 96 -8.062 13.905 6.578 758 HG23 VAL 96 HG23 VAL 96 -9.318 12.680 6.405 759 H MET 97 HN MET 97 -7.351 11.343 2.289 760 HA MET 97 HA MET 97 -5.077 9.603 2.532 761 HB2 MET 97 HB2 MET 97 -6.071 8.349 0.716 762 HB3 MET 97 HB1 MET 97 -7.318 8.775 1.880 763 HG2 MET 97 HG2 MET 97 -7.978 10.656 0.417 764 HG3 MET 97 HG1 MET 97 -6.798 10.103 -0.769 765 HE1 MET 97 HE1 MET 97 -7.674 7.469 -2.460 766 HE2 MET 97 HE2 MET 97 -7.293 9.190 -2.518 767 HE3 MET 97 HE3 MET 97 -8.881 8.621 -3.034 768 H ASP 98 HN ASP 98 -6.020 12.279 0.497 769 HA ASP 98 HA ASP 98 -4.188 11.905 -1.600 770 HB2 ASP 98 HB2 ASP 98 -5.782 14.184 -0.547 771 HB3 ASP 98 HB1 ASP 98 -4.426 14.574 -1.601 772 H ASN 99 HN ASN 99 -3.840 13.262 1.599 773 HA ASN 99 HA ASN 99 -1.306 14.497 1.113 774 HB2 ASN 99 HB2 ASN 99 -3.029 15.015 2.981 775 HB3 ASN 99 HB1 ASN 99 -2.285 13.665 3.833 776 HD21 ASN 99 HD21 ASN 99 -2.294 16.874 3.675 777 HD22 ASN 99 HD22 ASN 99 -0.666 17.225 4.134 778 H ILE 100 HN ILE 100 -2.384 11.337 2.123 779 HA ILE 100 HA ILE 100 0.172 10.450 3.068 780 HB ILE 100 HB ILE 100 -2.199 8.784 2.211 781 HG12 ILE 100 HG12 ILE 100 -2.750 10.421 3.993 782 HG13 ILE 100 HG11 ILE 100 -2.844 8.755 4.553 783 HG21 ILE 100 HG21 ILE 100 0.200 8.127 3.915 784 HG22 ILE 100 HG22 ILE 100 -0.171 7.482 2.315 785 HG23 ILE 100 HG23 ILE 100 -1.199 7.077 3.689 786 HD11 ILE 100 HD11 ILE 100 -0.216 9.842 4.997 787 HD12 ILE 100 HD12 ILE 100 -1.356 9.138 6.144 788 HD13 ILE 100 HD13 ILE 100 -1.461 10.851 5.734 789 H LYS 101 HN LYS 101 -1.740 9.807 0.134 790 HA LYS 101 HA LYS 101 0.146 8.190 -1.157 791 HB2 LYS 101 HB2 LYS 101 -2.386 8.907 -1.709 792 HB3 LYS 101 HB1 LYS 101 -1.542 9.960 -2.836 793 HG2 LYS 101 HG2 LYS 101 -0.818 8.235 -4.126 794 HG3 LYS 101 HG1 LYS 101 -0.753 7.104 -2.774 795 HD2 LYS 101 HD2 LYS 101 -2.536 6.491 -4.309 796 HD3 LYS 101 HD1 LYS 101 -3.207 7.001 -2.758 797 HE2 LYS 101 HE2 LYS 101 -4.459 7.922 -4.662 798 HE3 LYS 101 HE1 LYS 101 -3.732 9.184 -3.669 799 HZ1 LYS 101 HZ1 LYS 101 -2.175 8.219 -5.940 800 HZ2 LYS 101 HZ2 LYS 101 -2.311 9.781 -5.307 801 HZ3 LYS 101 HZ3 LYS 101 -3.537 9.160 -6.293 802 H MET 102 HN MET 102 -0.395 11.697 -1.349 803 HA MET 102 HA MET 102 1.521 12.269 -3.299 804 HB2 MET 102 HB2 MET 102 1.353 14.546 -2.620 805 HB3 MET 102 HB1 MET 102 -0.239 13.835 -2.402 806 HG2 MET 102 HG2 MET 102 0.081 13.684 -0.039 807 HG3 MET 102 HG1 MET 102 1.763 14.187 -0.187 808 HE1 MET 102 HE1 MET 102 1.372 15.581 1.640 809 HE2 MET 102 HE2 MET 102 0.479 17.100 1.691 810 HE3 MET 102 HE3 MET 102 2.024 17.014 0.845 811 H THR 103 HN THR 103 1.844 11.678 0.126 812 HA THR 103 HA THR 103 4.510 12.663 0.367 813 HB THR 103 HB THR 103 3.002 10.706 2.113 814 HG1 THR 103 HG1 THR 103 3.331 13.512 2.346 815 HG21 THR 103 HG21 THR 103 5.698 11.663 2.277 816 HG22 THR 103 HG22 THR 103 4.849 10.508 3.305 817 HG23 THR 103 HG23 THR 103 4.753 12.234 3.652 818 H LEU 104 HN LEU 104 3.158 9.368 0.205 819 HA LEU 104 HA LEU 104 5.589 7.995 0.191 820 HB2 LEU 104 HB2 LEU 104 2.799 7.389 -0.565 821 HB3 LEU 104 HB1 LEU 104 4.020 6.362 -1.291 822 HG LEU 104 HG LEU 104 4.832 6.277 1.279 823 HD11 LEU 104 HD11 LEU 104 3.084 7.630 2.178 824 HD12 LEU 104 HD12 LEU 104 2.777 5.961 2.658 825 HD13 LEU 104 HD13 LEU 104 1.850 6.686 1.344 826 HD21 LEU 104 HD21 LEU 104 3.178 4.204 1.340 827 HD22 LEU 104 HD22 LEU 104 4.608 4.230 0.308 828 HD23 LEU 104 HD23 LEU 104 3.023 4.601 -0.371 829 H GLN 105 HN GLN 105 3.692 9.332 -2.475 830 HA GLN 105 HA GLN 105 5.145 8.262 -4.604 831 HB2 GLN 105 HB2 GLN 105 3.368 10.616 -4.230 832 HB3 GLN 105 HB1 GLN 105 4.376 10.592 -5.670 833 HG2 GLN 105 HG2 GLN 105 2.707 8.220 -4.960 834 HG3 GLN 105 HG1 GLN 105 1.987 9.613 -5.763 835 HE21 GLN 105 HE21 GLN 105 2.899 10.264 -7.813 836 HE22 GLN 105 HE22 GLN 105 3.607 9.073 -8.846 837 H GLN 106 HN GLN 106 5.831 10.953 -2.490 838 HA GLN 106 HA GLN 106 8.028 11.897 -4.132 839 HB2 GLN 106 HB2 GLN 106 6.850 12.775 -1.506 840 HB3 GLN 106 HB1 GLN 106 8.374 13.429 -2.090 841 HG2 GLN 106 HG2 GLN 106 7.326 14.352 -4.020 842 HG3 GLN 106 HG1 GLN 106 5.814 13.519 -3.662 843 HE21 GLN 106 HE21 GLN 106 7.990 15.328 -1.543 844 HE22 GLN 106 HE22 GLN 106 6.823 16.504 -1.054 845 H ILE 107 HN ILE 107 7.571 10.270 -1.017 846 HA ILE 107 HA ILE 107 10.290 10.157 -0.290 847 HB ILE 107 HB ILE 107 8.122 8.196 0.472 848 HG12 ILE 107 HG12 ILE 107 8.955 10.483 2.206 849 HG13 ILE 107 HG11 ILE 107 7.846 10.798 0.875 850 HG21 ILE 107 HG21 ILE 107 10.737 8.911 1.792 851 HG22 ILE 107 HG22 ILE 107 10.333 7.382 1.012 852 HG23 ILE 107 HG23 ILE 107 9.502 7.864 2.491 853 HD11 ILE 107 HD11 ILE 107 6.158 9.561 1.816 854 HD12 ILE 107 HD12 ILE 107 6.937 10.242 3.244 855 HD13 ILE 107 HD13 ILE 107 7.265 8.575 2.770 856 H ILE 108 HN ILE 108 8.221 7.863 -2.034 857 HA ILE 108 HA ILE 108 10.247 5.881 -2.326 858 HB ILE 108 HB ILE 108 7.780 6.232 -4.030 859 HG12 ILE 108 HG12 ILE 108 7.944 4.396 -1.663 860 HG13 ILE 108 HG11 ILE 108 7.534 6.092 -1.427 861 HG21 ILE 108 HG21 ILE 108 9.794 4.078 -3.668 862 HG22 ILE 108 HG22 ILE 108 8.961 4.616 -5.127 863 HG23 ILE 108 HG23 ILE 108 8.116 3.612 -3.949 864 HD11 ILE 108 HD11 ILE 108 5.659 4.329 -1.719 865 HD12 ILE 108 HD12 ILE 108 6.038 4.478 -3.435 866 HD13 ILE 108 HD13 ILE 108 5.523 5.895 -2.520 867 H SER 109 HN SER 109 9.260 8.673 -4.177 868 HA SER 109 HA SER 109 10.815 7.936 -6.497 869 HB2 SER 109 HB2 SER 109 8.694 9.270 -6.641 870 HB3 SER 109 HB1 SER 109 9.542 10.607 -5.866 871 HG SER 109 HG SER 109 11.055 10.484 -7.643 872 H ARG 110 HN ARG 110 11.190 9.910 -3.642 873 HA ARG 110 HA ARG 110 13.482 11.346 -4.542 874 HB2 ARG 110 HB2 ARG 110 12.051 10.984 -1.963 875 HB3 ARG 110 HB1 ARG 110 13.726 11.511 -1.880 876 HG2 ARG 110 HG2 ARG 110 13.177 13.395 -3.371 877 HG3 ARG 110 HG1 ARG 110 11.488 12.884 -3.352 878 HD2 ARG 110 HD2 ARG 110 11.837 14.679 -1.762 879 HD3 ARG 110 HD1 ARG 110 11.440 13.187 -0.914 880 HE ARG 110 HE ARG 110 13.966 14.611 -0.867 881 HH11 ARG 110 HH11 ARG 110 12.253 11.665 -0.096 882 HH12 ARG 110 HH12 ARG 110 13.415 11.154 1.080 883 HH21 ARG 110 HH21 ARG 110 15.491 13.934 0.679 884 HH22 ARG 110 HH22 ARG 110 15.252 12.439 1.520 885 H TYR 111 HN TYR 111 12.970 8.312 -2.855 886 HA TYR 111 HA TYR 111 15.828 7.954 -2.424 887 HB2 TYR 111 HB2 TYR 111 13.480 6.179 -1.732 888 HB3 TYR 111 HB1 TYR 111 15.154 5.855 -1.294 889 HD1 TYR 111 HD2 TYR 111 15.959 8.673 -0.555 890 HD2 TYR 111 HD1 TYR 111 12.502 6.384 0.403 891 HE1 TYR 111 HE2 TYR 111 15.672 9.980 1.508 892 HE2 TYR 111 HE1 TYR 111 12.206 7.685 2.468 893 HH TYR 111 HH TYR 111 13.958 10.565 3.094 894 H LYS 112 HN LYS 112 14.144 7.784 -5.095 895 HA LYS 112 HA LYS 112 15.042 5.141 -5.971 896 HB2 LYS 112 HB2 LYS 112 12.961 7.043 -6.835 897 HB3 LYS 112 HB1 LYS 112 13.796 6.214 -8.141 898 HG2 LYS 112 HG2 LYS 112 13.185 4.069 -7.237 899 HG3 LYS 112 HG1 LYS 112 12.466 4.835 -5.819 900 HD2 LYS 112 HD2 LYS 112 10.582 5.402 -6.925 901 HD3 LYS 112 HD1 LYS 112 11.449 5.782 -8.414 902 HE2 LYS 112 HE2 LYS 112 11.223 2.938 -7.543 903 HE3 LYS 112 HE1 LYS 112 9.830 3.720 -8.287 904 HZ1 LYS 112 HZ1 LYS 112 12.522 3.681 -9.528 905 HZ2 LYS 112 HZ2 LYS 112 11.061 4.137 -10.248 906 HZ3 LYS 112 HZ3 LYS 112 11.337 2.517 -9.850 907 H ASP 113 HN ASP 113 15.548 8.565 -6.553 908 HA ASP 113 HA ASP 113 17.324 8.132 -8.780 909 HB2 ASP 113 HB2 ASP 113 16.275 10.484 -7.295 910 HB3 ASP 113 HB1 ASP 113 17.814 10.686 -8.127 911 H ALA 114 HN ALA 114 17.603 8.594 -5.329 912 HA ALA 114 HA ALA 114 20.317 9.269 -5.166 913 HB1 ALA 114 HB1 ALA 114 18.686 7.686 -3.184 914 HB2 ALA 114 HB2 ALA 114 18.751 9.445 -3.283 915 HB3 ALA 114 HB3 ALA 114 20.198 8.532 -2.855 916 H ASP 115 HN ASP 115 18.742 6.081 -5.004 917 HA ASP 115 HA ASP 115 21.299 4.877 -5.816 918 HB2 ASP 115 HB2 ASP 115 20.406 4.610 -3.292 919 HB3 ASP 115 HB1 ASP 115 19.540 3.273 -4.043 920 H1 ASP 453 HN ASP 453 -11.990 -17.343 -3.979 921 HA ASP 453 HA ASP 453 -11.551 -15.098 -5.807 922 HB2 ASP 453 HB2 ASP 453 -13.191 -17.216 -6.091 923 HB3 ASP 453 HB1 ASP 453 -14.297 -16.098 -5.297 924 H LEU 454 HN LEU 454 -11.124 -14.754 -2.984 925 HA LEU 454 HA LEU 454 -13.363 -12.977 -2.275 926 HB2 LEU 454 HB2 LEU 454 -12.396 -14.974 -0.776 927 HB3 LEU 454 HB1 LEU 454 -11.304 -13.701 -0.263 928 HG LEU 454 HG LEU 454 -14.225 -13.121 -0.238 929 HD11 LEU 454 HD11 LEU 454 -14.105 -14.035 2.197 930 HD12 LEU 454 HD12 LEU 454 -12.830 -15.065 1.545 931 HD13 LEU 454 HD13 LEU 454 -14.454 -15.132 0.860 932 HD21 LEU 454 HD21 LEU 454 -13.288 -12.103 2.012 933 HD22 LEU 454 HD22 LEU 454 -13.079 -11.277 0.467 934 HD23 LEU 454 HD23 LEU 454 -11.755 -12.222 1.148 935 H ASP 455 HN ASP 455 -9.912 -13.185 -2.767 936 HA ASP 455 HA ASP 455 -9.483 -10.440 -1.911 937 HB2 ASP 455 HB2 ASP 455 -7.102 -10.913 -2.559 938 HB3 ASP 455 HB1 ASP 455 -7.746 -11.989 -1.322 939 H GLU 456 HN GLU 456 -9.850 -12.279 -4.848 940 HA GLU 456 HA GLU 456 -8.744 -10.492 -6.690 941 HB2 GLU 456 HB2 GLU 456 -9.459 -12.820 -7.199 942 HB3 GLU 456 HB1 GLU 456 -11.134 -12.294 -7.111 943 HG2 GLU 456 HG2 GLU 456 -9.473 -10.714 -8.928 944 HG3 GLU 456 HG1 GLU 456 -9.641 -12.410 -9.379 945 H SER 457 HN SER 457 -12.108 -10.781 -5.560 946 HA SER 457 HA SER 457 -13.144 -8.648 -7.056 947 HB2 SER 457 HB2 SER 457 -14.055 -9.804 -4.411 948 HB3 SER 457 HB1 SER 457 -14.991 -8.653 -5.365 949 HG SER 457 HG SER 457 -15.108 -11.197 -5.599 950 H TRP 458 HN TRP 458 -11.418 -8.736 -4.022 951 HA TRP 458 HA TRP 458 -11.981 -5.956 -3.429 952 HB2 TRP 458 HB2 TRP 458 -11.439 -8.078 -1.830 953 HB3 TRP 458 HB1 TRP 458 -9.842 -7.344 -1.934 954 HD1 TRP 458 HD1 TRP 458 -9.562 -6.116 0.305 955 HE1 TRP 458 HE1 TRP 458 -10.927 -4.379 1.626 956 HE3 TRP 458 HE3 TRP 458 -13.781 -6.031 -2.582 957 HZ2 TRP 458 HZ2 TRP 458 -13.456 -3.137 1.465 958 HZ3 TRP 458 HZ3 TRP 458 -15.627 -4.541 -1.929 959 HH2 TRP 458 HH2 TRP 458 -15.466 -3.124 0.053 960 H ASP 459 HN ASP 459 -9.572 -7.795 -5.072 961 HA ASP 459 HA ASP 459 -7.473 -5.855 -4.846 962 HB2 ASP 459 HB2 ASP 459 -7.883 -8.418 -6.298 963 HB3 ASP 459 HB1 ASP 459 -6.684 -7.307 -6.954 964 H TYR 460 HN TYR 460 -10.144 -6.414 -7.002 965 HA TYR 460 HA TYR 460 -9.229 -4.925 -9.215 966 HB2 TYR 460 HB2 TYR 460 -11.621 -6.290 -8.445 967 HB3 TYR 460 HB1 TYR 460 -12.058 -4.691 -9.037 968 HD1 TYR 460 HD1 TYR 460 -9.332 -7.001 -10.109 969 HD2 TYR 460 HD2 TYR 460 -12.936 -5.002 -11.164 970 HE1 TYR 460 HE1 TYR 460 -9.090 -7.799 -12.422 971 HE2 TYR 460 HE2 TYR 460 -12.705 -5.794 -13.480 972 HH TYR 460 HH TYR 460 -10.546 -6.548 -14.961 973 H ILE 461 HN ILE 461 -11.221 -4.012 -6.418 974 HA ILE 461 HA ILE 461 -11.764 -1.381 -7.144 975 HB ILE 461 HB ILE 461 -12.857 -2.493 -5.254 976 HG12 ILE 461 HG12 ILE 461 -11.383 0.033 -4.474 977 HG13 ILE 461 HG11 ILE 461 -12.891 -0.043 -5.380 978 HG21 ILE 461 HG21 ILE 461 -11.234 -2.154 -3.076 979 HG22 ILE 461 HG22 ILE 461 -10.106 -2.717 -4.308 980 HG23 ILE 461 HG23 ILE 461 -11.527 -3.681 -3.908 981 HD11 ILE 461 HD11 ILE 461 -13.997 -1.037 -3.442 982 HD12 ILE 461 HD12 ILE 461 -13.291 0.534 -3.062 983 HD13 ILE 461 HD13 ILE 461 -12.486 -0.945 -2.538 984 H PHE 462 HN PHE 462 -8.829 -2.810 -5.985 985 HA PHE 462 HA PHE 462 -7.643 -0.173 -5.505 986 HB2 PHE 462 HB2 PHE 462 -6.872 -2.968 -4.732 987 HB3 PHE 462 HB1 PHE 462 -5.661 -1.690 -4.746 988 HD1 PHE 462 HD1 PHE 462 -5.907 0.256 -3.241 989 HD2 PHE 462 HD2 PHE 462 -8.507 -3.106 -3.023 990 HE1 PHE 462 HE1 PHE 462 -6.626 0.963 -0.997 991 HE2 PHE 462 HE2 PHE 462 -9.232 -2.404 -0.780 992 HZ PHE 462 HZ PHE 462 -8.292 -0.368 0.237 993 H GLU 463 HN GLU 463 -7.506 -2.935 -7.632 994 HA GLU 463 HA GLU 463 -5.071 -2.174 -8.932 995 HB2 GLU 463 HB2 GLU 463 -6.122 -4.515 -8.811 996 HB3 GLU 463 HB1 GLU 463 -7.184 -3.971 -10.102 997 HG2 GLU 463 HG2 GLU 463 -4.743 -3.282 -11.080 998 HG3 GLU 463 HG1 GLU 463 -4.367 -4.750 -10.179 999 H THR 464 HN THR 464 -8.472 -1.531 -9.404 1000 HA THR 464 HA THR 464 -8.185 -0.455 -12.044 1001 HB THR 464 HB THR 464 -10.508 0.307 -11.746 1002 HG1 THR 464 HG1 THR 464 -10.284 -0.735 -9.120 1003 HG21 THR 464 HG21 THR 464 -11.478 -1.976 -10.931 1004 HG22 THR 464 HG22 THR 464 -9.795 -2.493 -11.045 1005 HG23 THR 464 HG23 THR 464 -10.621 -1.856 -12.468 1006 H THR 465 HN THR 465 -6.979 1.310 -12.337 1007 HA THR 465 HA THR 465 -7.764 3.789 -11.149 1008 HB THR 465 HB THR 465 -5.026 2.703 -10.461 1009 HG1 THR 465 HG1 THR 465 -5.839 2.823 -8.318 1010 HG21 THR 465 HG21 THR 465 -4.874 4.711 -9.013 1011 HG22 THR 465 HG22 THR 465 -6.317 5.338 -9.810 1012 HG23 THR 465 HG23 THR 465 -4.845 5.062 -10.741 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -0.317 18.069 11.054 2 H3 PRO 1 HT2 PRO 1 -1.267 17.030 11.907 3 HA PRO 1 HA PRO 1 -1.243 15.533 10.464 4 HB2 PRO 1 HB2 PRO 1 -1.076 16.746 7.912 5 HB3 PRO 1 HB1 PRO 1 -2.494 15.994 8.654 6 HG2 PRO 1 HG2 PRO 1 -1.698 18.855 8.565 7 HG3 PRO 1 HG1 PRO 1 -3.318 18.135 8.575 8 HD2 PRO 1 HD2 PRO 1 -2.350 19.325 10.755 9 HD3 PRO 1 HD1 PRO 1 -3.306 17.836 10.890 10 H SER 2 HN SER 2 0.770 14.790 10.896 11 HA SER 2 HA SER 2 2.949 15.802 9.205 12 HB2 SER 2 HB2 SER 2 2.978 16.557 11.713 13 HB3 SER 2 HB1 SER 2 3.527 14.908 12.010 14 HG SER 2 HG SER 2 4.749 16.785 10.264 15 H HIS 3 HN HIS 3 2.364 13.945 7.898 16 HA HIS 3 HA HIS 3 2.696 11.831 7.127 17 HB2 HIS 3 HB2 HIS 3 4.857 12.037 9.208 18 HB3 HIS 3 HB1 HIS 3 4.617 10.551 8.296 19 HD1 HIS 3 HD1 HIS 3 4.363 14.036 6.855 20 HD2 HIS 3 HD2 HIS 3 6.838 10.702 6.693 21 HE1 HIS 3 HE1 HIS 3 6.014 14.514 5.020 22 HE2 HIS 3 HE2 HIS 3 7.554 12.520 4.998 23 H SER 4 HN SER 4 0.528 11.389 7.965 24 HA SER 4 HA SER 4 0.410 8.964 9.369 25 HB2 SER 4 HB2 SER 4 -0.741 9.719 11.435 26 HB3 SER 4 HB1 SER 4 0.926 10.288 11.349 27 HG SER 4 HG SER 4 0.118 12.302 10.631 28 H GLY 5 HN GLY 5 -1.568 7.997 9.134 29 HA2 GLY 5 HA2 GLY 5 -3.941 9.533 8.570 30 HA3 GLY 5 HA1 GLY 5 -3.290 8.716 7.158 31 H ALA 6 HN ALA 6 -5.742 8.419 9.033 32 HA ALA 6 HA ALA 6 -5.590 5.910 10.281 33 HB1 ALA 6 HB1 ALA 6 -7.808 7.675 9.377 34 HB2 ALA 6 HB2 ALA 6 -7.408 7.102 10.996 35 HB3 ALA 6 HB3 ALA 6 -8.181 6.016 9.842 36 H ALA 7 HN ALA 7 -4.837 4.215 9.129 37 HA ALA 7 HA ALA 7 -6.182 3.589 6.582 38 HB1 ALA 7 HB1 ALA 7 -3.650 4.029 6.630 39 HB2 ALA 7 HB2 ALA 7 -4.230 2.594 5.784 40 HB3 ALA 7 HB3 ALA 7 -3.533 2.445 7.397 41 H ILE 8 HN ILE 8 -7.015 1.555 6.251 42 HA ILE 8 HA ILE 8 -7.193 -0.139 8.649 43 HB ILE 8 HB ILE 8 -9.040 -0.160 6.263 44 HG12 ILE 8 HG12 ILE 8 -10.606 0.880 8.105 45 HG13 ILE 8 HG11 ILE 8 -9.084 1.408 8.815 46 HG21 ILE 8 HG21 ILE 8 -10.206 -1.800 7.272 47 HG22 ILE 8 HG22 ILE 8 -9.922 -1.152 8.888 48 HG23 ILE 8 HG23 ILE 8 -8.675 -2.111 8.091 49 HD11 ILE 8 HD11 ILE 8 -9.780 1.978 5.957 50 HD12 ILE 8 HD12 ILE 8 -8.571 2.758 6.977 51 HD13 ILE 8 HD13 ILE 8 -10.287 3.029 7.279 52 H PHE 9 HN PHE 9 -6.216 -2.049 8.636 53 HA PHE 9 HA PHE 9 -5.581 -3.289 6.040 54 HB2 PHE 9 HB2 PHE 9 -3.638 -2.257 7.433 55 HB3 PHE 9 HB1 PHE 9 -3.844 -3.672 8.460 56 HD1 PHE 9 HD1 PHE 9 -3.907 -3.168 4.763 57 HD2 PHE 9 HD2 PHE 9 -2.156 -5.175 8.081 58 HE1 PHE 9 HE1 PHE 9 -2.507 -4.482 3.224 59 HE2 PHE 9 HE2 PHE 9 -0.751 -6.492 6.549 60 HZ PHE 9 HZ PHE 9 -0.926 -6.146 4.117 61 H GLU 10 HN GLU 10 -6.278 -5.310 5.777 62 HA GLU 10 HA GLU 10 -7.254 -7.320 6.181 63 HB2 GLU 10 HB2 GLU 10 -5.130 -7.081 7.995 64 HB3 GLU 10 HB1 GLU 10 -6.477 -7.697 8.942 65 HG2 GLU 10 HG2 GLU 10 -6.670 -9.619 7.635 66 HG3 GLU 10 HG1 GLU 10 -5.721 -8.927 6.321 67 H LYS 11 HN LYS 11 -8.901 -5.157 6.533 68 HA LYS 11 HA LYS 11 -10.925 -4.557 7.378 69 HB2 LYS 11 HB2 LYS 11 -10.944 -7.316 8.609 70 HB3 LYS 11 HB1 LYS 11 -12.340 -6.295 8.292 71 HG2 LYS 11 HG2 LYS 11 -10.545 -7.189 6.069 72 HG3 LYS 11 HG1 LYS 11 -11.837 -8.225 6.680 73 HD2 LYS 11 HD2 LYS 11 -12.336 -5.388 5.821 74 HD3 LYS 11 HD1 LYS 11 -12.376 -6.732 4.678 75 HE2 LYS 11 HE2 LYS 11 -14.564 -6.761 5.249 76 HE3 LYS 11 HE1 LYS 11 -13.961 -7.735 6.589 77 HZ1 LYS 11 HZ1 LYS 11 -14.348 -6.099 8.068 78 HZ2 LYS 11 HZ2 LYS 11 -15.477 -5.585 6.918 79 HZ3 LYS 11 HZ3 LYS 11 -13.953 -4.856 6.991 80 H VAL 12 HN VAL 12 -8.498 -4.054 8.927 81 HA VAL 12 HA VAL 12 -9.709 -3.870 11.609 82 HB VAL 12 HB VAL 12 -6.764 -4.130 10.983 83 HG11 VAL 12 HG11 VAL 12 -8.300 -3.650 13.498 84 HG12 VAL 12 HG12 VAL 12 -6.796 -2.915 12.942 85 HG13 VAL 12 HG13 VAL 12 -6.795 -4.568 13.557 86 HG21 VAL 12 HG21 VAL 12 -8.824 -6.097 11.908 87 HG22 VAL 12 HG22 VAL 12 -7.120 -6.308 12.310 88 HG23 VAL 12 HG23 VAL 12 -7.629 -6.261 10.622 89 H SER 13 HN SER 13 -9.918 -1.892 12.427 90 HA SER 13 HA SER 13 -9.073 0.380 10.863 91 HB2 SER 13 HB2 SER 13 -10.245 0.808 13.553 92 HB3 SER 13 HB1 SER 13 -10.646 1.568 12.012 93 HG SER 13 HG SER 13 -11.631 -0.501 11.454 94 H GLY 14 HN GLY 14 -7.182 1.366 11.079 95 HA2 GLY 14 HA2 GLY 14 -6.040 1.784 13.715 96 HA3 GLY 14 HA1 GLY 14 -5.090 0.764 12.646 97 H ILE 15 HN ILE 15 -3.912 2.992 13.546 98 HA ILE 15 HA ILE 15 -4.149 4.964 11.376 99 HB ILE 15 HB ILE 15 -2.673 5.333 13.979 100 HG12 ILE 15 HG12 ILE 15 -5.012 4.928 14.502 101 HG13 ILE 15 HG11 ILE 15 -4.650 6.637 14.720 102 HG21 ILE 15 HG21 ILE 15 -2.526 7.592 13.423 103 HG22 ILE 15 HG22 ILE 15 -3.793 7.471 12.202 104 HG23 ILE 15 HG23 ILE 15 -2.205 6.764 11.899 105 HD11 ILE 15 HD11 ILE 15 -5.780 7.220 12.729 106 HD12 ILE 15 HD12 ILE 15 -6.832 6.106 13.603 107 HD13 ILE 15 HD13 ILE 15 -5.897 5.535 12.221 108 H ILE 16 HN ILE 16 -2.475 5.369 10.029 109 HA ILE 16 HA ILE 16 -0.109 3.664 10.327 110 HB ILE 16 HB ILE 16 -1.652 3.845 8.176 111 HG12 ILE 16 HG12 ILE 16 1.251 3.812 7.536 112 HG13 ILE 16 HG11 ILE 16 0.672 2.650 8.724 113 HG21 ILE 16 HG21 ILE 16 0.454 5.752 7.291 114 HG22 ILE 16 HG22 ILE 16 -0.968 6.381 8.123 115 HG23 ILE 16 HG23 ILE 16 -1.155 5.459 6.631 116 HD11 ILE 16 HD11 ILE 16 -1.150 2.469 6.646 117 HD12 ILE 16 HD12 ILE 16 0.153 1.340 7.017 118 HD13 ILE 16 HD13 ILE 16 0.416 2.638 5.853 119 H ALA 17 HN ALA 17 1.999 4.506 10.020 120 HA ALA 17 HA ALA 17 2.280 7.418 10.069 121 HB1 ALA 17 HB1 ALA 17 2.187 6.590 12.423 122 HB2 ALA 17 HB2 ALA 17 3.681 7.428 12.003 123 HB3 ALA 17 HB3 ALA 17 3.655 5.667 12.098 124 H ILE 18 HN ILE 18 3.864 8.078 8.772 125 HA ILE 18 HA ILE 18 5.711 6.077 7.697 126 HB ILE 18 HB ILE 18 5.303 8.904 6.726 127 HG12 ILE 18 HG12 ILE 18 4.000 6.353 5.746 128 HG13 ILE 18 HG11 ILE 18 3.187 7.646 6.621 129 HG21 ILE 18 HG21 ILE 18 6.929 6.603 5.872 130 HG22 ILE 18 HG22 ILE 18 7.198 8.332 5.650 131 HG23 ILE 18 HG23 ILE 18 6.090 7.468 4.585 132 HD11 ILE 18 HD11 ILE 18 4.575 8.162 4.022 133 HD12 ILE 18 HD12 ILE 18 3.314 9.106 4.815 134 HD13 ILE 18 HD13 ILE 18 2.923 7.549 4.085 135 H ASN 19 HN ASN 19 7.870 6.146 7.999 136 HA ASN 19 HA ASN 19 8.935 8.377 9.605 137 HB2 ASN 19 HB2 ASN 19 9.418 5.425 9.734 138 HB3 ASN 19 HB1 ASN 19 10.700 6.527 10.224 139 HD21 ASN 19 HD21 ASN 19 10.582 5.810 12.352 140 HD22 ASN 19 HD22 ASN 19 9.288 6.267 13.401 141 H GLU 20 HN GLU 20 10.224 9.644 8.459 142 HA GLU 20 HA GLU 20 11.661 8.534 6.161 143 HB2 GLU 20 HB2 GLU 20 10.930 11.334 6.985 144 HB3 GLU 20 HB1 GLU 20 12.135 11.031 5.740 145 HG2 GLU 20 HG2 GLU 20 10.140 9.482 4.832 146 HG3 GLU 20 HG1 GLU 20 9.208 10.726 5.663 147 H ASP 21 HN ASP 21 12.500 8.056 8.928 148 HA ASP 21 HA ASP 21 14.774 9.701 9.473 149 HB2 ASP 21 HB2 ASP 21 13.604 7.213 10.634 150 HB3 ASP 21 HB1 ASP 21 15.284 7.591 11.004 151 H VAL 22 HN VAL 22 14.211 6.710 7.756 152 HA VAL 22 HA VAL 22 17.078 6.616 7.080 153 HB VAL 22 HB VAL 22 16.196 4.689 8.469 154 HG11 VAL 22 HG11 VAL 22 15.150 3.230 6.206 155 HG12 VAL 22 HG12 VAL 22 14.174 4.655 6.564 156 HG13 VAL 22 HG13 VAL 22 14.470 3.451 7.818 157 HG21 VAL 22 HG21 VAL 22 18.230 4.226 7.523 158 HG22 VAL 22 HG22 VAL 22 17.631 4.412 5.876 159 HG23 VAL 22 HG23 VAL 22 17.236 2.964 6.797 160 H SER 23 HN SER 23 17.626 6.019 4.936 161 HA SER 23 HA SER 23 16.282 7.264 2.917 162 HB2 SER 23 HB2 SER 23 18.441 5.332 3.084 163 HB3 SER 23 HB1 SER 23 17.487 5.111 1.617 164 HG SER 23 HG SER 23 19.274 7.027 2.195 165 HA PRO 24 HA PRO 24 14.137 3.098 1.511 166 HB2 PRO 24 HB2 PRO 24 14.202 1.608 4.077 167 HB3 PRO 24 HB1 PRO 24 14.419 1.018 2.426 168 HG2 PRO 24 HG2 PRO 24 16.496 1.252 4.080 169 HG3 PRO 24 HG1 PRO 24 16.650 1.639 2.356 170 HD2 PRO 24 HD2 PRO 24 16.401 3.478 4.698 171 HD3 PRO 24 HD1 PRO 24 17.395 3.639 3.238 172 H ALA 25 HN ALA 25 13.834 4.683 4.575 173 HA ALA 25 HA ALA 25 12.043 5.584 5.654 174 HB1 ALA 25 HB1 ALA 25 10.338 6.345 4.392 175 HB2 ALA 25 HB2 ALA 25 10.022 4.764 3.676 176 HB3 ALA 25 HB3 ALA 25 11.331 5.769 3.053 177 H GLU 26 HN GLU 26 9.726 4.923 6.456 178 HA GLU 26 HA GLU 26 9.313 2.060 6.577 179 HB2 GLU 26 HB2 GLU 26 11.008 3.014 8.432 180 HB3 GLU 26 HB1 GLU 26 9.485 3.318 9.256 181 HG2 GLU 26 HG2 GLU 26 9.829 1.232 10.020 182 HG3 GLU 26 HG1 GLU 26 9.057 0.795 8.497 183 H LEU 27 HN LEU 27 7.217 1.572 6.797 184 HA LEU 27 HA LEU 27 5.376 3.743 7.563 185 HB2 LEU 27 HB2 LEU 27 5.097 3.178 5.244 186 HB3 LEU 27 HB1 LEU 27 5.032 1.466 5.615 187 HG LEU 27 HG LEU 27 2.961 3.295 6.757 188 HD11 LEU 27 HD11 LEU 27 2.263 1.999 4.223 189 HD12 LEU 27 HD12 LEU 27 3.410 3.330 4.079 190 HD13 LEU 27 HD13 LEU 27 1.841 3.596 4.839 191 HD21 LEU 27 HD21 LEU 27 1.804 0.937 5.963 192 HD22 LEU 27 HD22 LEU 27 2.382 1.304 7.588 193 HD23 LEU 27 HD23 LEU 27 3.419 0.431 6.460 194 H THR 28 HN THR 28 4.757 3.401 9.606 195 HA THR 28 HA THR 28 4.331 0.659 10.539 196 HB THR 28 HB THR 28 4.145 3.107 12.270 197 HG1 THR 28 HG1 THR 28 6.126 3.488 11.654 198 HG21 THR 28 HG21 THR 28 3.970 0.379 12.799 199 HG22 THR 28 HG22 THR 28 4.137 1.692 13.965 200 HG23 THR 28 HG23 THR 28 5.571 0.866 13.355 201 H TRP 29 HN TRP 29 2.382 -0.129 11.129 202 HA TRP 29 HA TRP 29 0.077 1.697 11.050 203 HB2 TRP 29 HB2 TRP 29 0.021 0.525 8.959 204 HB3 TRP 29 HB1 TRP 29 0.333 -1.017 9.747 205 HD1 TRP 29 HD1 TRP 29 -2.473 1.615 9.404 206 HE1 TRP 29 HE1 TRP 29 -4.728 0.437 9.793 207 HE3 TRP 29 HE3 TRP 29 -0.753 -3.015 10.722 208 HZ2 TRP 29 HZ2 TRP 29 -5.655 -2.118 10.557 209 HZ3 TRP 29 HZ3 TRP 29 -2.389 -4.770 11.268 210 HH2 TRP 29 HH2 TRP 29 -4.789 -4.329 11.187 211 H ARG 30 HN ARG 30 -0.595 1.778 13.098 212 HA ARG 30 HA ARG 30 -0.694 -0.722 14.647 213 HB2 ARG 30 HB2 ARG 30 -0.728 0.676 16.646 214 HB3 ARG 30 HB1 ARG 30 0.665 1.064 15.645 215 HG2 ARG 30 HG2 ARG 30 -1.089 2.864 14.701 216 HG3 ARG 30 HG1 ARG 30 -1.676 2.703 16.358 217 HD2 ARG 30 HD2 ARG 30 0.959 2.896 16.829 218 HD3 ARG 30 HD1 ARG 30 0.859 3.828 15.335 219 HE ARG 30 HE ARG 30 -1.141 4.624 17.193 220 HH11 ARG 30 HH11 ARG 30 2.259 4.936 16.469 221 HH12 ARG 30 HH12 ARG 30 2.414 6.470 17.257 222 HH21 ARG 30 HH21 ARG 30 -0.939 6.642 18.230 223 HH22 ARG 30 HH22 ARG 30 0.599 7.439 18.257 224 H SER 31 HN SER 31 -2.580 -1.415 15.563 225 HA SER 31 HA SER 31 -5.005 -0.750 14.354 226 HB2 SER 31 HB2 SER 31 -6.008 -1.984 16.378 227 HB3 SER 31 HB1 SER 31 -4.888 -2.882 15.354 228 HG SER 31 HG SER 31 -4.049 -1.498 17.675 229 H THR 32 HN THR 32 -6.927 0.196 15.300 230 HA THR 32 HA THR 32 -6.505 2.761 16.329 231 HB THR 32 HB THR 32 -8.524 2.117 15.085 232 HG1 THR 32 HG1 THR 32 -9.040 3.058 17.709 233 HG21 THR 32 HG21 THR 32 -10.322 0.896 16.077 234 HG22 THR 32 HG22 THR 32 -9.421 0.703 17.582 235 HG23 THR 32 HG23 THR 32 -8.871 -0.106 16.114 236 H ASP 33 HN ASP 33 -7.037 -0.298 17.926 237 HA ASP 33 HA ASP 33 -7.291 1.005 20.529 238 HB2 ASP 33 HB2 ASP 33 -8.702 -1.018 19.721 239 HB3 ASP 33 HB1 ASP 33 -7.268 -1.969 20.093 240 H GLY 34 HN GLY 34 -5.376 -1.704 19.199 241 HA2 GLY 34 HA2 GLY 34 -2.864 -1.167 19.423 242 HA3 GLY 34 HA1 GLY 34 -3.259 -1.030 21.129 243 H ASP 35 HN ASP 35 -3.814 -3.324 18.454 244 HA ASP 35 HA ASP 35 -2.882 -5.470 20.232 245 HB2 ASP 35 HB2 ASP 35 -5.353 -5.511 20.135 246 HB3 ASP 35 HB1 ASP 35 -5.270 -5.653 18.382 247 H LYS 36 HN LYS 36 -3.904 -4.941 16.851 248 HA LYS 36 HA LYS 36 -1.640 -6.593 15.984 249 HB2 LYS 36 HB2 LYS 36 -4.198 -5.766 14.619 250 HB3 LYS 36 HB1 LYS 36 -2.865 -6.514 13.749 251 HG2 LYS 36 HG2 LYS 36 -4.293 -7.748 16.094 252 HG3 LYS 36 HG1 LYS 36 -4.620 -8.113 14.398 253 HD2 LYS 36 HD2 LYS 36 -1.996 -8.542 14.391 254 HD3 LYS 36 HD1 LYS 36 -2.306 -8.867 16.098 255 HE2 LYS 36 HE2 LYS 36 -2.606 -10.957 15.192 256 HE3 LYS 36 HE1 LYS 36 -4.255 -10.335 15.156 257 HZ1 LYS 36 HZ1 LYS 36 -4.125 -11.019 13.028 258 HZ2 LYS 36 HZ2 LYS 36 -2.439 -10.906 12.959 259 HZ3 LYS 36 HZ3 LYS 36 -3.387 -9.515 12.790 260 H VAL 37 HN VAL 37 -0.020 -5.804 14.755 261 HA VAL 37 HA VAL 37 -0.248 -3.173 13.535 262 HB VAL 37 HB VAL 37 0.556 -2.699 15.817 263 HG11 VAL 37 HG11 VAL 37 2.251 -3.770 16.832 264 HG12 VAL 37 HG12 VAL 37 3.211 -3.866 15.356 265 HG13 VAL 37 HG13 VAL 37 1.921 -5.033 15.646 266 HG21 VAL 37 HG21 VAL 37 1.290 -1.063 14.385 267 HG22 VAL 37 HG22 VAL 37 2.264 -2.182 13.430 268 HG23 VAL 37 HG23 VAL 37 2.826 -1.655 15.016 269 H HIS 38 HN HIS 38 1.029 -2.923 11.754 270 HA HIS 38 HA HIS 38 3.075 -4.952 11.212 271 HB2 HIS 38 HB2 HIS 38 0.939 -5.647 10.125 272 HB3 HIS 38 HB1 HIS 38 0.960 -4.146 9.206 273 HD1 HIS 38 HD1 HIS 38 3.286 -7.116 9.744 274 HD2 HIS 38 HD2 HIS 38 2.121 -4.440 6.787 275 HE1 HIS 38 HE1 HIS 38 4.497 -7.844 7.664 276 HE2 HIS 38 HE2 HIS 38 3.709 -6.263 5.867 277 H THR 39 HN THR 39 4.773 -4.274 9.928 278 HA THR 39 HA THR 39 4.732 -1.452 9.087 279 HB THR 39 HB THR 39 7.298 -2.645 10.017 280 HG1 THR 39 HG1 THR 39 5.266 -1.726 11.767 281 HG21 THR 39 HG21 THR 39 6.788 -0.214 9.134 282 HG22 THR 39 HG22 THR 39 7.958 -0.513 10.419 283 HG23 THR 39 HG23 THR 39 6.331 0.038 10.818 284 H VAL 40 HN VAL 40 5.639 -0.992 7.138 285 HA VAL 40 HA VAL 40 7.146 -3.077 5.746 286 HB VAL 40 HB VAL 40 4.811 -3.411 5.068 287 HG11 VAL 40 HG11 VAL 40 3.398 -1.776 4.469 288 HG12 VAL 40 HG12 VAL 40 4.625 -0.921 3.533 289 HG13 VAL 40 HG13 VAL 40 4.546 -0.712 5.283 290 HG21 VAL 40 HG21 VAL 40 5.394 -3.873 2.946 291 HG22 VAL 40 HG22 VAL 40 6.985 -3.299 3.447 292 HG23 VAL 40 HG23 VAL 40 5.878 -2.211 2.610 293 H VAL 41 HN VAL 41 8.826 -2.276 4.648 294 HA VAL 41 HA VAL 41 9.441 0.491 4.749 295 HB VAL 41 HB VAL 41 10.761 -1.601 3.016 296 HG11 VAL 41 HG11 VAL 41 11.383 1.194 3.760 297 HG12 VAL 41 HG12 VAL 41 11.749 0.303 2.282 298 HG13 VAL 41 HG13 VAL 41 12.733 0.059 3.726 299 HG21 VAL 41 HG21 VAL 41 10.831 -1.141 5.926 300 HG22 VAL 41 HG22 VAL 41 12.397 -1.361 5.145 301 HG23 VAL 41 HG23 VAL 41 11.156 -2.605 4.998 302 H LEU 42 HN LEU 42 8.674 2.042 3.487 303 HA LEU 42 HA LEU 42 7.042 1.639 1.260 304 HB2 LEU 42 HB2 LEU 42 8.609 4.033 2.194 305 HB3 LEU 42 HB1 LEU 42 7.568 4.091 0.784 306 HG LEU 42 HG LEU 42 6.574 3.299 3.517 307 HD11 LEU 42 HD11 LEU 42 7.036 5.445 4.042 308 HD12 LEU 42 HD12 LEU 42 5.543 5.746 3.154 309 HD13 LEU 42 HD13 LEU 42 7.101 5.960 2.357 310 HD21 LEU 42 HD21 LEU 42 5.380 3.686 0.842 311 HD22 LEU 42 HD22 LEU 42 4.464 4.308 2.214 312 HD23 LEU 42 HD23 LEU 42 4.909 2.603 2.151 313 H SER 43 HN SER 43 10.486 1.706 1.524 314 HA SER 43 HA SER 43 11.239 2.470 -1.043 315 HB2 SER 43 HB2 SER 43 12.645 1.824 1.106 316 HB3 SER 43 HB1 SER 43 12.722 0.254 0.307 317 HG SER 43 HG SER 43 14.427 1.322 -0.502 318 H THR 44 HN THR 44 9.946 -0.562 0.126 319 HA THR 44 HA THR 44 10.633 -2.152 -2.108 320 HB THR 44 HB THR 44 9.923 -3.055 0.098 321 HG1 THR 44 HG1 THR 44 8.494 -3.863 -2.204 322 HG21 THR 44 HG21 THR 44 7.100 -3.089 -0.402 323 HG22 THR 44 HG22 THR 44 7.679 -1.433 -0.224 324 HG23 THR 44 HG23 THR 44 7.980 -2.614 1.051 325 H ILE 45 HN ILE 45 8.048 0.101 -1.500 326 HA ILE 45 HA ILE 45 6.214 -0.722 -3.446 327 HB ILE 45 HB ILE 45 6.754 2.125 -2.598 328 HG12 ILE 45 HG12 ILE 45 6.400 0.750 -0.628 329 HG13 ILE 45 HG11 ILE 45 4.967 1.731 -0.919 330 HG21 ILE 45 HG21 ILE 45 5.322 2.271 -4.411 331 HG22 ILE 45 HG22 ILE 45 4.204 2.210 -3.048 332 HG23 ILE 45 HG23 ILE 45 4.499 0.763 -4.013 333 HD11 ILE 45 HD11 ILE 45 4.535 -0.665 -2.291 334 HD12 ILE 45 HD12 ILE 45 3.764 -0.117 -0.803 335 HD13 ILE 45 HD13 ILE 45 5.217 -1.113 -0.728 336 H ASP 46 HN ASP 46 5.806 0.036 -5.556 337 HA ASP 46 HA ASP 46 8.131 1.231 -6.914 338 HB2 ASP 46 HB2 ASP 46 7.724 -1.276 -7.316 339 HB3 ASP 46 HB1 ASP 46 6.305 -0.771 -8.228 340 H LYS 47 HN LYS 47 4.641 0.594 -7.199 341 HA LYS 47 HA LYS 47 4.350 3.252 -8.419 342 HB2 LYS 47 HB2 LYS 47 3.840 2.171 -10.332 343 HB3 LYS 47 HB1 LYS 47 3.616 0.634 -9.512 344 HG2 LYS 47 HG2 LYS 47 1.358 1.296 -8.871 345 HG3 LYS 47 HG1 LYS 47 1.582 2.849 -9.678 346 HD2 LYS 47 HD2 LYS 47 1.423 1.942 -11.768 347 HD3 LYS 47 HD1 LYS 47 2.083 0.386 -11.259 348 HE2 LYS 47 HE2 LYS 47 0.046 -0.365 -10.463 349 HE3 LYS 47 HE1 LYS 47 -0.590 1.267 -10.257 350 HZ1 LYS 47 HZ1 LYS 47 -1.336 -0.263 -12.242 351 HZ2 LYS 47 HZ2 LYS 47 0.047 0.383 -12.971 352 HZ3 LYS 47 HZ3 LYS 47 -1.182 1.412 -12.431 353 H LEU 48 HN LEU 48 2.122 4.117 -8.235 354 HA LEU 48 HA LEU 48 0.774 3.128 -5.808 355 HB2 LEU 48 HB2 LEU 48 1.272 5.974 -6.673 356 HB3 LEU 48 HB1 LEU 48 0.151 5.534 -5.399 357 HG LEU 48 HG LEU 48 2.320 4.302 -4.449 358 HD11 LEU 48 HD11 LEU 48 4.061 4.760 -5.802 359 HD12 LEU 48 HD12 LEU 48 4.100 6.272 -4.896 360 HD13 LEU 48 HD13 LEU 48 3.303 6.206 -6.468 361 HD21 LEU 48 HD21 LEU 48 2.214 5.849 -2.819 362 HD22 LEU 48 HD22 LEU 48 0.817 6.432 -3.724 363 HD23 LEU 48 HD23 LEU 48 2.391 7.197 -3.943 364 H GLN 49 HN GLN 49 -1.441 3.083 -5.806 365 HA GLN 49 HA GLN 49 -2.938 4.248 -7.996 366 HB2 GLN 49 HB2 GLN 49 -2.018 1.720 -8.400 367 HB3 GLN 49 HB1 GLN 49 -3.567 1.388 -7.636 368 HG2 GLN 49 HG2 GLN 49 -4.759 2.497 -9.337 369 HG3 GLN 49 HG1 GLN 49 -3.295 3.236 -9.985 370 HE21 GLN 49 HE21 GLN 49 -4.638 2.125 -11.849 371 HE22 GLN 49 HE22 GLN 49 -4.046 0.566 -12.302 372 H ALA 50 HN ALA 50 -4.887 4.899 -7.319 373 HA ALA 50 HA ALA 50 -6.103 3.591 -4.994 374 HB1 ALA 50 HB1 ALA 50 -6.170 5.428 -3.675 375 HB2 ALA 50 HB2 ALA 50 -6.294 6.539 -5.039 376 HB3 ALA 50 HB3 ALA 50 -4.729 5.856 -4.598 377 H THR 51 HN THR 51 -8.388 4.371 -4.654 378 HA THR 51 HA THR 51 -9.795 4.186 -7.143 379 HB THR 51 HB THR 51 -11.773 4.014 -5.841 380 HG1 THR 51 HG1 THR 51 -11.737 5.658 -4.441 381 HG21 THR 51 HG21 THR 51 -11.369 2.260 -4.391 382 HG22 THR 51 HG22 THR 51 -9.798 2.894 -3.901 383 HG23 THR 51 HG23 THR 51 -10.003 2.184 -5.502 384 HA PRO 52 HA PRO 52 -10.477 8.450 -8.023 385 HB2 PRO 52 HB2 PRO 52 -12.978 8.406 -9.086 386 HB3 PRO 52 HB1 PRO 52 -11.556 7.799 -9.943 387 HG2 PRO 52 HG2 PRO 52 -13.637 6.284 -8.415 388 HG3 PRO 52 HG1 PRO 52 -12.896 5.898 -9.979 389 HD2 PRO 52 HD2 PRO 52 -12.120 4.711 -7.677 390 HD3 PRO 52 HD1 PRO 52 -10.989 5.038 -9.005 391 H ALA 53 HN ALA 53 -11.729 10.325 -7.453 392 HA ALA 53 HA ALA 53 -12.558 10.386 -4.782 393 HB1 ALA 53 HB1 ALA 53 -13.508 12.434 -6.742 394 HB2 ALA 53 HB2 ALA 53 -11.790 12.298 -6.366 395 HB3 ALA 53 HB3 ALA 53 -12.949 12.644 -5.082 396 H SER 54 HN SER 54 -14.338 9.824 -7.733 397 HA SER 54 HA SER 54 -16.938 10.269 -6.713 398 HB2 SER 54 HB2 SER 54 -15.993 9.865 -9.189 399 HB3 SER 54 HB1 SER 54 -16.552 8.229 -8.843 400 HG SER 54 HG SER 54 -17.989 10.397 -9.491 401 H SER 55 HN SER 55 -14.768 7.532 -6.630 402 HA SER 55 HA SER 55 -16.611 5.525 -5.955 403 HB2 SER 55 HB2 SER 55 -14.748 4.194 -5.376 404 HB3 SER 55 HB1 SER 55 -14.142 5.280 -6.626 405 HG SER 55 HG SER 55 -13.766 5.466 -3.825 406 H GLU 56 HN GLU 56 -17.368 4.748 -4.017 407 HA GLU 56 HA GLU 56 -17.474 6.653 -1.855 408 HB2 GLU 56 HB2 GLU 56 -18.682 3.903 -2.185 409 HB3 GLU 56 HB1 GLU 56 -18.961 4.939 -0.792 410 HG2 GLU 56 HG2 GLU 56 -19.722 6.671 -2.579 411 HG3 GLU 56 HG1 GLU 56 -19.907 5.247 -3.602 412 H LYS 57 HN LYS 57 -16.370 3.284 -2.202 413 HA LYS 57 HA LYS 57 -15.186 3.246 0.409 414 HB2 LYS 57 HB2 LYS 57 -16.100 1.263 -0.999 415 HB3 LYS 57 HB1 LYS 57 -14.521 1.292 -1.772 416 HG2 LYS 57 HG2 LYS 57 -13.460 0.469 0.046 417 HG3 LYS 57 HG1 LYS 57 -14.544 1.274 1.181 418 HD2 LYS 57 HD2 LYS 57 -16.262 -0.365 0.782 419 HD3 LYS 57 HD1 LYS 57 -15.304 -1.113 -0.498 420 HE2 LYS 57 HE2 LYS 57 -15.081 -2.463 1.456 421 HE3 LYS 57 HE1 LYS 57 -13.555 -1.612 1.216 422 HZ1 LYS 57 HZ1 LYS 57 -15.643 -1.111 3.244 423 HZ2 LYS 57 HZ2 LYS 57 -14.521 0.087 2.836 424 HZ3 LYS 57 HZ3 LYS 57 -13.989 -1.387 3.472 425 H MET 58 HN MET 58 -13.664 4.870 0.538 426 HA MET 58 HA MET 58 -11.664 5.312 -1.432 427 HB2 MET 58 HB2 MET 58 -12.060 6.219 1.402 428 HB3 MET 58 HB1 MET 58 -10.551 6.558 0.565 429 HG2 MET 58 HG2 MET 58 -11.655 8.452 0.037 430 HG3 MET 58 HG1 MET 58 -12.232 7.444 -1.289 431 HE1 MET 58 HE1 MET 58 -14.622 8.597 2.474 432 HE2 MET 58 HE2 MET 58 -12.962 9.072 2.113 433 HE3 MET 58 HE3 MET 58 -13.322 7.409 2.577 434 H MET 59 HN MET 59 -10.095 3.928 -1.897 435 HA MET 59 HA MET 59 -8.509 2.789 0.263 436 HB2 MET 59 HB2 MET 59 -9.703 1.058 -1.908 437 HB3 MET 59 HB1 MET 59 -8.610 0.525 -0.639 438 HG2 MET 59 HG2 MET 59 -10.490 1.499 0.923 439 HG3 MET 59 HG1 MET 59 -11.494 1.218 -0.498 440 HE1 MET 59 HE1 MET 59 -10.127 -2.483 -1.148 441 HE2 MET 59 HE2 MET 59 -10.288 -0.891 -1.889 442 HE3 MET 59 HE3 MET 59 -11.728 -1.814 -1.460 443 H LEU 60 HN LEU 60 -6.521 1.698 -0.604 444 HA LEU 60 HA LEU 60 -5.706 2.741 -3.222 445 HB2 LEU 60 HB2 LEU 60 -4.962 4.066 -1.031 446 HB3 LEU 60 HB1 LEU 60 -3.713 2.835 -1.019 447 HG LEU 60 HG LEU 60 -4.092 4.155 -3.621 448 HD11 LEU 60 HD11 LEU 60 -3.175 6.245 -3.071 449 HD12 LEU 60 HD12 LEU 60 -2.783 5.735 -1.429 450 HD13 LEU 60 HD13 LEU 60 -4.465 5.983 -1.897 451 HD21 LEU 60 HD21 LEU 60 -2.243 2.526 -2.643 452 HD22 LEU 60 HD22 LEU 60 -1.522 4.055 -2.141 453 HD23 LEU 60 HD23 LEU 60 -1.861 3.758 -3.846 454 H ARG 61 HN ARG 61 -3.647 1.739 -3.985 455 HA ARG 61 HA ARG 61 -3.034 -0.854 -2.803 456 HB2 ARG 61 HB2 ARG 61 -4.836 -1.340 -4.386 457 HB3 ARG 61 HB1 ARG 61 -3.946 -0.530 -5.668 458 HG2 ARG 61 HG2 ARG 61 -2.384 -2.229 -5.837 459 HG3 ARG 61 HG1 ARG 61 -2.728 -2.842 -4.219 460 HD2 ARG 61 HD2 ARG 61 -3.873 -4.415 -5.362 461 HD3 ARG 61 HD1 ARG 61 -5.135 -3.185 -5.361 462 HE ARG 61 HE ARG 61 -4.867 -2.961 -7.621 463 HH11 ARG 61 HH11 ARG 61 -2.097 -4.639 -6.325 464 HH12 ARG 61 HH12 ARG 61 -1.437 -5.012 -7.881 465 HH21 ARG 61 HH21 ARG 61 -4.001 -3.449 -9.670 466 HH22 ARG 61 HH22 ARG 61 -2.517 -4.335 -9.781 467 H LEU 62 HN LEU 62 -0.907 -0.778 -2.545 468 HA LEU 62 HA LEU 62 0.745 0.713 -4.431 469 HB2 LEU 62 HB2 LEU 62 1.581 -0.688 -1.893 470 HB3 LEU 62 HB1 LEU 62 2.520 0.473 -2.813 471 HG LEU 62 HG LEU 62 -0.115 1.318 -1.689 472 HD11 LEU 62 HD11 LEU 62 1.593 0.118 -0.004 473 HD12 LEU 62 HD12 LEU 62 0.575 1.483 0.454 474 HD13 LEU 62 HD13 LEU 62 2.260 1.750 0.006 475 HD21 LEU 62 HD21 LEU 62 2.381 2.938 -1.721 476 HD22 LEU 62 HD22 LEU 62 0.704 3.442 -1.930 477 HD23 LEU 62 HD23 LEU 62 1.551 2.628 -3.246 478 H ILE 63 HN ILE 63 2.341 -0.185 -5.687 479 HA ILE 63 HA ILE 63 2.360 -3.131 -5.820 480 HB ILE 63 HB ILE 63 3.142 -1.391 -8.136 481 HG12 ILE 63 HG12 ILE 63 0.912 -0.632 -7.555 482 HG13 ILE 63 HG11 ILE 63 0.819 -1.640 -8.995 483 HG21 ILE 63 HG21 ILE 63 2.394 -4.244 -7.698 484 HG22 ILE 63 HG22 ILE 63 3.747 -3.559 -8.599 485 HG23 ILE 63 HG23 ILE 63 2.120 -3.508 -9.278 486 HD11 ILE 63 HD11 ILE 63 0.469 -3.351 -6.795 487 HD12 ILE 63 HD12 ILE 63 -0.727 -2.853 -7.992 488 HD13 ILE 63 HD13 ILE 63 -0.530 -1.928 -6.503 489 H GLY 64 HN GLY 64 4.150 -3.829 -4.830 490 HA2 GLY 64 HA2 GLY 64 6.539 -2.312 -4.600 491 HA3 GLY 64 HA1 GLY 64 6.354 -4.013 -4.202 492 H LYS 65 HN LYS 65 8.697 -3.225 -5.271 493 HA LYS 65 HA LYS 65 8.661 -3.588 -8.142 494 HB2 LYS 65 HB2 LYS 65 11.085 -3.502 -6.349 495 HB3 LYS 65 HB1 LYS 65 11.010 -3.169 -8.073 496 HG2 LYS 65 HG2 LYS 65 10.085 -1.082 -7.768 497 HG3 LYS 65 HG1 LYS 65 9.439 -1.485 -6.176 498 HD2 LYS 65 HD2 LYS 65 11.381 -0.997 -5.119 499 HD3 LYS 65 HD1 LYS 65 12.377 -1.587 -6.450 500 HE2 LYS 65 HE2 LYS 65 12.338 0.422 -7.551 501 HE3 LYS 65 HE1 LYS 65 10.782 0.889 -6.866 502 HZ1 LYS 65 HZ1 LYS 65 13.066 0.646 -5.052 503 HZ2 LYS 65 HZ2 LYS 65 11.747 1.702 -4.990 504 HZ3 LYS 65 HZ3 LYS 65 13.011 1.992 -6.076 505 H VAL 66 HN VAL 66 9.627 -5.311 -9.261 506 HA VAL 66 HA VAL 66 9.696 -7.816 -7.729 507 HB VAL 66 HB VAL 66 9.555 -8.885 -10.032 508 HG11 VAL 66 HG11 VAL 66 7.045 -7.916 -10.218 509 HG12 VAL 66 HG12 VAL 66 7.455 -7.419 -8.576 510 HG13 VAL 66 HG13 VAL 66 7.548 -9.121 -9.032 511 HG21 VAL 66 HG21 VAL 66 8.383 -6.378 -11.074 512 HG22 VAL 66 HG22 VAL 66 9.241 -7.667 -11.917 513 HG23 VAL 66 HG23 VAL 66 10.143 -6.460 -11.001 514 H ASP 67 HN ASP 67 11.295 -9.439 -8.335 515 HA ASP 67 HA ASP 67 13.718 -8.388 -9.596 516 HB2 ASP 67 HB2 ASP 67 13.445 -9.302 -6.767 517 HB3 ASP 67 HB1 ASP 67 14.930 -9.695 -7.629 518 H GLU 68 HN GLU 68 13.989 -9.737 -11.251 519 HA GLU 68 HA GLU 68 13.338 -12.566 -10.950 520 HB2 GLU 68 HB2 GLU 68 13.774 -10.729 -13.259 521 HB3 GLU 68 HB1 GLU 68 14.079 -12.444 -13.495 522 HG2 GLU 68 HG2 GLU 68 11.916 -12.585 -13.988 523 HG3 GLU 68 HG1 GLU 68 11.647 -12.457 -12.250 524 H SER 69 HN SER 69 16.076 -10.439 -11.361 525 HA SER 69 HA SER 69 17.937 -12.577 -11.888 526 HB2 SER 69 HB2 SER 69 18.604 -9.741 -11.087 527 HB3 SER 69 HB1 SER 69 19.621 -10.882 -11.966 528 HG SER 69 HG SER 69 18.228 -10.718 -13.720 529 H LYS 70 HN LYS 70 16.813 -10.766 -9.121 530 HA LYS 70 HA LYS 70 18.851 -11.937 -7.395 531 HB2 LYS 70 HB2 LYS 70 16.868 -9.733 -7.144 532 HB3 LYS 70 HB1 LYS 70 17.338 -10.568 -5.670 533 HG2 LYS 70 HG2 LYS 70 19.285 -9.326 -7.599 534 HG3 LYS 70 HG1 LYS 70 18.661 -8.524 -6.156 535 HD2 LYS 70 HD2 LYS 70 19.509 -10.871 -5.105 536 HD3 LYS 70 HD1 LYS 70 20.667 -10.663 -6.420 537 HE2 LYS 70 HE2 LYS 70 21.725 -9.549 -4.708 538 HE3 LYS 70 HE1 LYS 70 20.852 -8.232 -5.490 539 HZ1 LYS 70 HZ1 LYS 70 19.430 -9.635 -3.379 540 HZ2 LYS 70 HZ2 LYS 70 19.481 -7.983 -3.738 541 HZ3 LYS 70 HZ3 LYS 70 20.751 -8.702 -2.883 542 H LYS 71 HN LYS 71 15.295 -11.628 -7.280 543 HA LYS 71 HA LYS 71 13.671 -13.027 -6.526 544 HB2 LYS 71 HB2 LYS 71 15.655 -14.740 -7.749 545 HB3 LYS 71 HB1 LYS 71 14.861 -15.566 -6.415 546 HG2 LYS 71 HG2 LYS 71 13.412 -16.122 -8.054 547 HG3 LYS 71 HG1 LYS 71 12.702 -14.568 -7.611 548 HD2 LYS 71 HD2 LYS 71 12.872 -14.148 -9.820 549 HD3 LYS 71 HD1 LYS 71 14.550 -13.774 -9.420 550 HE2 LYS 71 HE2 LYS 71 13.718 -16.566 -10.122 551 HE3 LYS 71 HE1 LYS 71 14.062 -15.381 -11.382 552 HZ1 LYS 71 HZ1 LYS 71 16.256 -15.042 -10.236 553 HZ2 LYS 71 HZ2 LYS 71 16.055 -16.543 -10.989 554 HZ3 LYS 71 HZ3 LYS 71 15.909 -16.415 -9.309 555 H ARG 72 HN ARG 72 13.054 -12.948 -4.480 556 HA ARG 72 HA ARG 72 14.952 -13.216 -2.332 557 HB2 ARG 72 HB2 ARG 72 12.736 -11.726 -2.595 558 HB3 ARG 72 HB1 ARG 72 12.042 -13.107 -1.757 559 HG2 ARG 72 HG2 ARG 72 13.875 -12.816 -0.039 560 HG3 ARG 72 HG1 ARG 72 14.219 -11.268 -0.814 561 HD2 ARG 72 HD2 ARG 72 11.408 -11.868 -0.053 562 HD3 ARG 72 HD1 ARG 72 12.548 -11.469 1.231 563 HE ARG 72 HE ARG 72 11.396 -9.670 -0.645 564 HH11 ARG 72 HH11 ARG 72 14.308 -10.294 1.174 565 HH12 ARG 72 HH12 ARG 72 14.797 -8.633 1.199 566 HH21 ARG 72 HH21 ARG 72 12.038 -7.485 -0.614 567 HH22 ARG 72 HH22 ARG 72 13.509 -7.038 0.184 568 H LYS 73 HN LYS 73 15.272 -14.918 -1.023 569 HA LYS 73 HA LYS 73 13.675 -17.332 -1.543 570 HB2 LYS 73 HB2 LYS 73 15.643 -18.520 -0.484 571 HB3 LYS 73 HB1 LYS 73 15.958 -17.752 -2.034 572 HG2 LYS 73 HG2 LYS 73 17.299 -16.136 -1.120 573 HG3 LYS 73 HG1 LYS 73 16.520 -16.229 0.460 574 HD2 LYS 73 HD2 LYS 73 17.864 -17.899 1.167 575 HD3 LYS 73 HD1 LYS 73 17.894 -18.681 -0.415 576 HE2 LYS 73 HE2 LYS 73 20.039 -17.967 -0.398 577 HE3 LYS 73 HE1 LYS 73 19.303 -16.477 -0.988 578 HZ1 LYS 73 HZ1 LYS 73 20.651 -15.780 0.744 579 HZ2 LYS 73 HZ2 LYS 73 20.275 -17.105 1.726 580 HZ3 LYS 73 HZ3 LYS 73 19.132 -15.882 1.483 581 H ASP 74 HN ASP 74 11.989 -16.688 -0.109 582 HA ASP 74 HA ASP 74 12.684 -17.116 2.717 583 HB2 ASP 74 HB2 ASP 74 10.912 -15.462 3.323 584 HB3 ASP 74 HB1 ASP 74 12.288 -14.747 2.489 585 H ASN 75 HN ASN 75 11.734 -19.008 0.773 586 HA ASN 75 HA ASN 75 8.987 -19.505 1.694 587 HB2 ASN 75 HB2 ASN 75 10.513 -20.400 -0.741 588 HB3 ASN 75 HB1 ASN 75 9.053 -21.236 -0.220 589 HD21 ASN 75 HD21 ASN 75 10.077 -19.121 -2.372 590 HD22 ASN 75 HD22 ASN 75 8.689 -18.106 -2.533 591 H GLU 76 HN GLU 76 12.084 -21.158 1.128 592 HA GLU 76 HA GLU 76 12.004 -22.603 3.534 593 HB2 GLU 76 HB2 GLU 76 10.174 -23.694 1.958 594 HB3 GLU 76 HB1 GLU 76 11.577 -24.498 1.268 595 HG2 GLU 76 HG2 GLU 76 11.042 -24.526 4.215 596 HG3 GLU 76 HG1 GLU 76 10.299 -25.693 3.123 597 H GLY 77 HN GLY 77 12.967 -23.232 0.150 598 HA2 GLY 77 HA2 GLY 77 15.737 -22.801 0.735 599 HA3 GLY 77 HA1 GLY 77 15.356 -24.511 0.595 600 H ASN 78 HN ASN 78 14.628 -21.490 -1.159 601 HA ASN 78 HA ASN 78 15.936 -22.249 -3.520 602 HB2 ASN 78 HB2 ASN 78 13.168 -23.211 -3.214 603 HB3 ASN 78 HB1 ASN 78 13.486 -22.361 -4.723 604 HD21 ASN 78 HD21 ASN 78 13.523 -25.300 -3.244 605 HD22 ASN 78 HD22 ASN 78 14.603 -26.137 -4.300 606 H GLU 79 HN GLU 79 16.321 -20.439 -4.622 607 HA GLU 79 HA GLU 79 15.075 -17.984 -3.822 608 HB2 GLU 79 HB2 GLU 79 17.115 -18.635 -5.950 609 HB3 GLU 79 HB1 GLU 79 16.547 -17.003 -5.624 610 HG2 GLU 79 HG2 GLU 79 17.653 -16.861 -3.635 611 HG3 GLU 79 HG1 GLU 79 17.603 -18.601 -3.356 612 H VAL 80 HN VAL 80 13.003 -17.726 -4.434 613 HA VAL 80 HA VAL 80 12.455 -17.711 -7.314 614 HB VAL 80 HB VAL 80 11.596 -19.847 -6.462 615 HG11 VAL 80 HG11 VAL 80 10.154 -20.081 -4.691 616 HG12 VAL 80 HG12 VAL 80 9.550 -18.429 -4.823 617 HG13 VAL 80 HG13 VAL 80 11.145 -18.732 -4.134 618 HG21 VAL 80 HG21 VAL 80 10.437 -18.631 -8.288 619 HG22 VAL 80 HG22 VAL 80 9.347 -17.939 -7.087 620 HG23 VAL 80 HG23 VAL 80 9.369 -19.681 -7.357 621 H VAL 81 HN VAL 81 10.653 -16.379 -7.929 622 HA VAL 81 HA VAL 81 10.308 -14.123 -6.112 623 HB VAL 81 HB VAL 81 11.002 -13.638 -8.409 624 HG11 VAL 81 HG11 VAL 81 10.048 -14.492 -10.240 625 HG12 VAL 81 HG12 VAL 81 8.417 -14.172 -9.650 626 HG13 VAL 81 HG13 VAL 81 9.268 -15.631 -9.142 627 HG21 VAL 81 HG21 VAL 81 9.558 -11.816 -8.788 628 HG22 VAL 81 HG22 VAL 81 9.516 -12.092 -7.047 629 HG23 VAL 81 HG23 VAL 81 8.185 -12.650 -8.060 630 HA PRO 82 HA PRO 82 6.266 -15.982 -5.205 631 HB2 PRO 82 HB2 PRO 82 5.756 -14.484 -3.012 632 HB3 PRO 82 HB1 PRO 82 6.841 -15.880 -2.976 633 HG2 PRO 82 HG2 PRO 82 7.509 -12.966 -3.169 634 HG3 PRO 82 HG1 PRO 82 8.266 -14.223 -2.171 635 HD2 PRO 82 HD2 PRO 82 9.342 -13.361 -4.506 636 HD3 PRO 82 HD1 PRO 82 9.532 -15.025 -3.919 637 H LYS 83 HN LYS 83 6.079 -14.497 -7.347 638 HA LYS 83 HA LYS 83 4.766 -13.060 -8.523 639 HB2 LYS 83 HB2 LYS 83 3.169 -13.515 -6.035 640 HB3 LYS 83 HB1 LYS 83 2.634 -12.295 -7.182 641 HG2 LYS 83 HG2 LYS 83 3.240 -15.097 -8.053 642 HG3 LYS 83 HG1 LYS 83 1.667 -14.649 -7.391 643 HD2 LYS 83 HD2 LYS 83 1.269 -13.104 -9.146 644 HD3 LYS 83 HD1 LYS 83 2.943 -13.196 -9.697 645 HE2 LYS 83 HE2 LYS 83 2.589 -15.093 -10.860 646 HE3 LYS 83 HE1 LYS 83 1.507 -15.759 -9.637 647 HZ1 LYS 83 HZ1 LYS 83 0.473 -15.212 -11.842 648 HZ2 LYS 83 HZ2 LYS 83 0.697 -13.578 -11.470 649 HZ3 LYS 83 HZ3 LYS 83 -0.297 -14.538 -10.495 650 HA PRO 84 HA PRO 84 5.951 -8.931 -7.557 651 HB2 PRO 84 HB2 PRO 84 3.955 -7.445 -8.655 652 HB3 PRO 84 HB1 PRO 84 5.180 -8.278 -9.619 653 HG2 PRO 84 HG2 PRO 84 2.377 -9.116 -8.983 654 HG3 PRO 84 HG1 PRO 84 3.249 -9.205 -10.525 655 HD2 PRO 84 HD2 PRO 84 2.936 -11.353 -8.915 656 HD3 PRO 84 HD1 PRO 84 4.383 -11.122 -9.917 657 H GLN 85 HN GLN 85 5.809 -7.560 -5.871 658 HA GLN 85 HA GLN 85 4.002 -8.003 -3.781 659 HB2 GLN 85 HB2 GLN 85 6.076 -5.979 -4.406 660 HB3 GLN 85 HB1 GLN 85 4.876 -5.522 -3.205 661 HG2 GLN 85 HG2 GLN 85 5.526 -7.188 -1.733 662 HG3 GLN 85 HG1 GLN 85 6.313 -8.133 -2.996 663 HE21 GLN 85 HE21 GLN 85 7.003 -6.551 -0.342 664 HE22 GLN 85 HE22 GLN 85 8.543 -5.871 -0.732 665 H ARG 86 HN ARG 86 2.000 -7.311 -3.396 666 HA ARG 86 HA ARG 86 1.032 -4.843 -4.591 667 HB2 ARG 86 HB2 ARG 86 -0.165 -7.551 -5.170 668 HB3 ARG 86 HB1 ARG 86 -1.057 -6.052 -5.387 669 HG2 ARG 86 HG2 ARG 86 0.396 -5.319 -7.096 670 HG3 ARG 86 HG1 ARG 86 1.578 -6.576 -6.728 671 HD2 ARG 86 HD2 ARG 86 0.248 -8.261 -7.647 672 HD3 ARG 86 HD1 ARG 86 -1.210 -7.272 -7.581 673 HE ARG 86 HE ARG 86 0.566 -5.995 -9.290 674 HH11 ARG 86 HH11 ARG 86 -1.177 -9.016 -9.155 675 HH12 ARG 86 HH12 ARG 86 -1.290 -9.171 -10.876 676 HH21 ARG 86 HH21 ARG 86 0.418 -6.198 -11.554 677 HH22 ARG 86 HH22 ARG 86 -0.384 -7.572 -12.238 678 H HIS 87 HN HIS 87 0.628 -3.905 -2.648 679 HA HIS 87 HA HIS 87 -1.210 -5.321 -0.830 680 HB2 HIS 87 HB2 HIS 87 0.725 -3.116 -0.098 681 HB3 HIS 87 HB1 HIS 87 -0.256 -4.072 1.007 682 HD1 HIS 87 HD1 HIS 87 0.481 -6.819 -0.546 683 HD2 HIS 87 HD2 HIS 87 3.109 -4.023 1.049 684 HE1 HIS 87 HE1 HIS 87 2.623 -8.069 -0.132 685 HE2 HIS 87 HE2 HIS 87 4.170 -6.378 0.913 686 H MET 88 HN MET 88 -2.824 -4.057 0.247 687 HA MET 88 HA MET 88 -3.395 -1.448 -0.966 688 HB2 MET 88 HB2 MET 88 -5.846 -2.155 -1.012 689 HB3 MET 88 HB1 MET 88 -4.799 -2.836 -2.250 690 HG2 MET 88 HG2 MET 88 -6.092 -4.628 -1.533 691 HG3 MET 88 HG1 MET 88 -4.553 -4.841 -0.701 692 HE1 MET 88 HE1 MET 88 -7.285 -2.130 0.374 693 HE2 MET 88 HE2 MET 88 -8.367 -3.179 1.290 694 HE3 MET 88 HE3 MET 88 -8.150 -3.432 -0.442 695 H PHE 89 HN PHE 89 -4.649 -0.045 0.300 696 HA PHE 89 HA PHE 89 -5.207 -0.906 3.049 697 HB2 PHE 89 HB2 PHE 89 -3.769 1.658 2.332 698 HB3 PHE 89 HB1 PHE 89 -4.216 1.135 3.952 699 HD1 PHE 89 HD2 PHE 89 -3.043 -0.726 5.024 700 HD2 PHE 89 HD1 PHE 89 -1.864 0.752 1.212 701 HE1 PHE 89 HE2 PHE 89 -0.885 -1.888 5.245 702 HE2 PHE 89 HE1 PHE 89 0.295 -0.408 1.425 703 HZ PHE 89 HZ PHE 89 0.787 -1.729 3.444 704 H SER 90 HN SER 90 -7.187 -0.353 3.674 705 HA SER 90 HA SER 90 -8.804 1.336 1.980 706 HB2 SER 90 HB2 SER 90 -9.914 0.422 4.564 707 HB3 SER 90 HB1 SER 90 -10.597 0.320 2.942 708 HG SER 90 HG SER 90 -8.868 -1.438 4.268 709 H PHE 91 HN PHE 91 -9.972 3.184 2.697 710 HA PHE 91 HA PHE 91 -9.062 4.452 5.165 711 HB2 PHE 91 HB2 PHE 91 -8.506 5.425 2.405 712 HB3 PHE 91 HB1 PHE 91 -8.929 6.624 3.622 713 HD1 PHE 91 HD2 PHE 91 -6.524 3.956 2.768 714 HD2 PHE 91 HD1 PHE 91 -7.381 7.293 5.266 715 HE1 PHE 91 HE2 PHE 91 -4.202 3.938 3.582 716 HE2 PHE 91 HE1 PHE 91 -5.060 7.282 6.084 717 HZ PHE 91 HZ PHE 91 -3.468 5.602 5.242 718 H ASN 92 HN ASN 92 -10.320 6.492 5.602 719 HA ASN 92 HA ASN 92 -13.021 6.362 4.442 720 HB2 ASN 92 HB2 ASN 92 -12.201 6.198 7.302 721 HB3 ASN 92 HB1 ASN 92 -13.663 7.103 6.921 722 HD21 ASN 92 HD21 ASN 92 -15.238 5.945 5.509 723 HD22 ASN 92 HD22 ASN 92 -15.472 4.258 5.801 724 H ASN 93 HN ASN 93 -10.855 8.132 3.787 725 HA ASN 93 HA ASN 93 -12.237 10.614 3.958 726 HB2 ASN 93 HB2 ASN 93 -10.653 10.096 6.164 727 HB3 ASN 93 HB1 ASN 93 -9.603 11.074 5.144 728 HD21 ASN 93 HD21 ASN 93 -11.550 12.660 3.919 729 HD22 ASN 93 HD22 ASN 93 -12.226 13.712 5.111 730 H ARG 94 HN ARG 94 -11.789 11.726 2.171 731 HA ARG 94 HA ARG 94 -9.869 10.789 0.304 732 HB2 ARG 94 HB2 ARG 94 -12.098 12.068 -0.093 733 HB3 ARG 94 HB1 ARG 94 -11.125 13.512 0.150 734 HG2 ARG 94 HG2 ARG 94 -9.588 12.284 -1.647 735 HG3 ARG 94 HG1 ARG 94 -11.149 11.592 -2.097 736 HD2 ARG 94 HD2 ARG 94 -11.319 13.454 -3.353 737 HD3 ARG 94 HD1 ARG 94 -11.830 14.188 -1.833 738 HE ARG 94 HE ARG 94 -8.999 14.281 -2.171 739 HH11 ARG 94 HH11 ARG 94 -11.983 15.832 -3.104 740 HH12 ARG 94 HH12 ARG 94 -11.237 17.365 -3.406 741 HH21 ARG 94 HH21 ARG 94 -8.016 16.297 -2.567 742 HH22 ARG 94 HH22 ARG 94 -8.985 17.630 -3.102 743 H THR 95 HN THR 95 -9.973 13.555 2.502 744 HA THR 95 HA THR 95 -7.583 14.766 1.586 745 HB THR 95 HB THR 95 -9.084 16.125 2.821 746 HG1 THR 95 HG1 THR 95 -6.970 15.549 4.614 747 HG21 THR 95 HG21 THR 95 -8.919 14.056 4.984 748 HG22 THR 95 HG22 THR 95 -10.347 14.634 4.127 749 HG23 THR 95 HG23 THR 95 -9.510 15.693 5.262 750 H VAL 96 HN VAL 96 -8.282 12.408 4.114 751 HA VAL 96 HA VAL 96 -5.616 12.349 5.143 752 HB VAL 96 HB VAL 96 -7.758 10.240 5.444 753 HG11 VAL 96 HG11 VAL 96 -5.139 10.064 6.130 754 HG12 VAL 96 HG12 VAL 96 -6.446 9.218 6.958 755 HG13 VAL 96 HG13 VAL 96 -5.832 10.739 7.605 756 HG21 VAL 96 HG21 VAL 96 -7.975 12.859 6.231 757 HG22 VAL 96 HG22 VAL 96 -7.334 12.076 7.675 758 HG23 VAL 96 HG23 VAL 96 -8.834 11.497 6.951 759 H MET 97 HN MET 97 -7.437 10.429 2.809 760 HA MET 97 HA MET 97 -5.418 8.450 2.454 761 HB2 MET 97 HB2 MET 97 -7.862 8.161 1.923 762 HB3 MET 97 HB1 MET 97 -7.615 9.192 0.520 763 HG2 MET 97 HG2 MET 97 -5.978 7.590 -0.354 764 HG3 MET 97 HG1 MET 97 -6.268 6.551 1.040 765 HE1 MET 97 HE1 MET 97 -7.435 6.908 -2.746 766 HE2 MET 97 HE2 MET 97 -7.704 8.409 -1.860 767 HE3 MET 97 HE3 MET 97 -9.079 7.464 -2.430 768 H ASP 98 HN ASP 98 -6.159 11.522 0.942 769 HA ASP 98 HA ASP 98 -4.458 11.224 -1.306 770 HB2 ASP 98 HB2 ASP 98 -5.906 13.466 0.003 771 HB3 ASP 98 HB1 ASP 98 -4.559 13.892 -1.048 772 H ASN 99 HN ASN 99 -3.954 12.280 1.987 773 HA ASN 99 HA ASN 99 -1.438 13.516 1.616 774 HB2 ASN 99 HB2 ASN 99 -3.007 12.512 3.933 775 HB3 ASN 99 HB1 ASN 99 -1.277 12.731 4.175 776 HD21 ASN 99 HD21 ASN 99 -4.251 14.207 4.250 777 HD22 ASN 99 HD22 ASN 99 -3.735 15.856 4.268 778 H ILE 100 HN ILE 100 -2.414 10.197 2.271 779 HA ILE 100 HA ILE 100 0.191 9.191 2.775 780 HB ILE 100 HB ILE 100 -2.191 7.650 1.740 781 HG12 ILE 100 HG12 ILE 100 -2.730 8.949 3.782 782 HG13 ILE 100 HG11 ILE 100 -2.757 7.211 4.064 783 HG21 ILE 100 HG21 ILE 100 0.433 6.891 2.942 784 HG22 ILE 100 HG22 ILE 100 -0.417 6.193 1.563 785 HG23 ILE 100 HG23 ILE 100 -0.976 5.863 3.203 786 HD11 ILE 100 HD11 ILE 100 -1.226 7.379 5.652 787 HD12 ILE 100 HD12 ILE 100 -1.401 9.130 5.536 788 HD13 ILE 100 HD13 ILE 100 -0.150 8.306 4.606 789 H LYS 101 HN LYS 101 -1.905 8.973 -0.104 790 HA LYS 101 HA LYS 101 -0.062 7.699 -1.771 791 HB2 LYS 101 HB2 LYS 101 -2.479 7.934 -2.262 792 HB3 LYS 101 HB1 LYS 101 -2.231 9.646 -2.575 793 HG2 LYS 101 HG2 LYS 101 -0.409 8.593 -4.253 794 HG3 LYS 101 HG1 LYS 101 -1.615 7.305 -4.246 795 HD2 LYS 101 HD2 LYS 101 -2.695 10.029 -4.498 796 HD3 LYS 101 HD1 LYS 101 -1.709 9.485 -5.857 797 HE2 LYS 101 HE2 LYS 101 -3.672 7.534 -4.852 798 HE3 LYS 101 HE1 LYS 101 -4.355 8.981 -5.592 799 HZ1 LYS 101 HZ1 LYS 101 -3.279 8.529 -7.610 800 HZ2 LYS 101 HZ2 LYS 101 -3.903 7.038 -7.113 801 HZ3 LYS 101 HZ3 LYS 101 -2.256 7.371 -6.920 802 H MET 102 HN MET 102 -0.643 11.141 -1.197 803 HA MET 102 HA MET 102 1.139 12.110 -3.158 804 HB2 MET 102 HB2 MET 102 -0.591 13.511 -2.128 805 HB3 MET 102 HB1 MET 102 0.236 13.406 -0.580 806 HG2 MET 102 HG2 MET 102 1.812 14.912 -1.160 807 HG3 MET 102 HG1 MET 102 1.828 14.411 -2.850 808 HE1 MET 102 HE1 MET 102 -0.284 16.284 -0.112 809 HE2 MET 102 HE2 MET 102 -1.476 15.267 -0.921 810 HE3 MET 102 HE3 MET 102 -1.549 17.020 -1.096 811 H THR 103 HN THR 103 1.553 11.426 0.296 812 HA THR 103 HA THR 103 4.224 12.324 0.471 813 HB THR 103 HB THR 103 2.790 10.262 2.156 814 HG1 THR 103 HG1 THR 103 1.872 12.439 2.019 815 HG21 THR 103 HG21 THR 103 5.486 11.137 2.262 816 HG22 THR 103 HG22 THR 103 4.630 10.045 3.350 817 HG23 THR 103 HG23 THR 103 4.628 11.781 3.661 818 H LEU 104 HN LEU 104 2.854 9.070 0.037 819 HA LEU 104 HA LEU 104 5.281 7.679 -0.065 820 HB2 LEU 104 HB2 LEU 104 2.504 7.151 -0.993 821 HB3 LEU 104 HB1 LEU 104 3.780 6.120 -1.611 822 HG LEU 104 HG LEU 104 4.404 5.850 0.920 823 HD11 LEU 104 HD11 LEU 104 2.481 5.950 2.398 824 HD12 LEU 104 HD12 LEU 104 1.484 6.581 1.087 825 HD13 LEU 104 HD13 LEU 104 2.821 7.542 1.719 826 HD21 LEU 104 HD21 LEU 104 3.703 4.023 -0.494 827 HD22 LEU 104 HD22 LEU 104 2.018 4.530 -0.369 828 HD23 LEU 104 HD23 LEU 104 2.865 3.924 1.055 829 H GLN 105 HN GLN 105 3.385 9.221 -2.622 830 HA GLN 105 HA GLN 105 4.869 8.330 -4.818 831 HB2 GLN 105 HB2 GLN 105 3.044 10.619 -4.288 832 HB3 GLN 105 HB1 GLN 105 4.052 10.704 -5.726 833 HG2 GLN 105 HG2 GLN 105 3.131 8.289 -6.140 834 HG3 GLN 105 HG1 GLN 105 1.840 8.827 -5.067 835 HE21 GLN 105 HE21 GLN 105 2.867 8.677 -8.214 836 HE22 GLN 105 HE22 GLN 105 1.827 9.872 -8.902 837 H GLN 106 HN GLN 106 5.478 10.877 -2.510 838 HA GLN 106 HA GLN 106 7.610 12.062 -4.049 839 HB2 GLN 106 HB2 GLN 106 6.344 12.556 -1.401 840 HB3 GLN 106 HB1 GLN 106 7.990 13.130 -1.633 841 HG2 GLN 106 HG2 GLN 106 6.953 14.116 -3.852 842 HG3 GLN 106 HG1 GLN 106 5.467 14.025 -2.908 843 HE21 GLN 106 HE21 GLN 106 7.672 16.115 -3.833 844 HE22 GLN 106 HE22 GLN 106 7.760 17.154 -2.456 845 H ILE 107 HN ILE 107 7.320 9.908 -1.263 846 HA ILE 107 HA ILE 107 10.063 9.789 -0.623 847 HB ILE 107 HB ILE 107 8.013 7.616 -0.180 848 HG12 ILE 107 HG12 ILE 107 8.717 9.539 1.972 849 HG13 ILE 107 HG11 ILE 107 7.682 10.143 0.681 850 HG21 ILE 107 HG21 ILE 107 10.730 8.185 0.932 851 HG22 ILE 107 HG22 ILE 107 10.063 6.669 0.326 852 HG23 ILE 107 HG23 ILE 107 9.541 7.300 1.888 853 HD11 ILE 107 HD11 ILE 107 5.957 9.258 1.738 854 HD12 ILE 107 HD12 ILE 107 7.019 8.491 2.918 855 HD13 ILE 107 HD13 ILE 107 6.625 7.658 1.415 856 H ILE 108 HN ILE 108 8.031 7.799 -2.736 857 HA ILE 108 HA ILE 108 10.110 5.966 -3.414 858 HB ILE 108 HB ILE 108 7.594 6.532 -4.982 859 HG12 ILE 108 HG12 ILE 108 7.877 4.320 -2.971 860 HG13 ILE 108 HG11 ILE 108 7.393 5.930 -2.450 861 HG21 ILE 108 HG21 ILE 108 9.697 5.033 -5.738 862 HG22 ILE 108 HG22 ILE 108 8.031 4.688 -6.205 863 HG23 ILE 108 HG23 ILE 108 8.763 3.830 -4.848 864 HD11 ILE 108 HD11 ILE 108 5.904 4.826 -4.733 865 HD12 ILE 108 HD12 ILE 108 5.337 5.738 -3.333 866 HD13 ILE 108 HD13 ILE 108 5.671 4.013 -3.186 867 H SER 109 HN SER 109 8.766 8.865 -4.925 868 HA SER 109 HA SER 109 10.299 8.675 -7.311 869 HB2 SER 109 HB2 SER 109 8.697 10.854 -6.004 870 HB3 SER 109 HB1 SER 109 9.705 11.215 -7.405 871 HG SER 109 HG SER 109 7.880 10.623 -8.353 872 H ARG 110 HN ARG 110 10.856 10.069 -4.157 873 HA ARG 110 HA ARG 110 13.064 11.699 -4.842 874 HB2 ARG 110 HB2 ARG 110 11.895 10.624 -2.330 875 HB3 ARG 110 HB1 ARG 110 13.565 11.170 -2.263 876 HG2 ARG 110 HG2 ARG 110 12.674 13.321 -3.367 877 HG3 ARG 110 HG1 ARG 110 11.091 12.745 -2.842 878 HD2 ARG 110 HD2 ARG 110 11.627 13.928 -0.986 879 HD3 ARG 110 HD1 ARG 110 12.436 12.421 -0.558 880 HE ARG 110 HE ARG 110 14.456 13.477 -0.779 881 HH11 ARG 110 HH11 ARG 110 11.977 15.453 -2.239 882 HH12 ARG 110 HH12 ARG 110 13.025 16.810 -2.480 883 HH21 ARG 110 HH21 ARG 110 15.836 15.261 -1.094 884 HH22 ARG 110 HH22 ARG 110 15.216 16.701 -1.830 885 H TYR 111 HN TYR 111 12.735 8.307 -4.072 886 HA TYR 111 HA TYR 111 15.641 7.964 -4.052 887 HB2 TYR 111 HB2 TYR 111 13.576 5.817 -3.594 888 HB3 TYR 111 HB1 TYR 111 15.273 5.805 -3.128 889 HD1 TYR 111 HD2 TYR 111 15.358 8.627 -1.974 890 HD2 TYR 111 HD1 TYR 111 12.601 5.425 -1.470 891 HE1 TYR 111 HE2 TYR 111 14.754 9.503 0.243 892 HE2 TYR 111 HE1 TYR 111 11.991 6.292 0.749 893 HH TYR 111 HH TYR 111 12.382 9.170 1.770 894 H LYS 112 HN LYS 112 13.535 8.298 -6.411 895 HA LYS 112 HA LYS 112 14.347 5.963 -7.977 896 HB2 LYS 112 HB2 LYS 112 12.124 7.930 -8.138 897 HB3 LYS 112 HB1 LYS 112 12.712 7.259 -9.653 898 HG2 LYS 112 HG2 LYS 112 12.277 5.007 -8.844 899 HG3 LYS 112 HG1 LYS 112 11.728 5.659 -7.299 900 HD2 LYS 112 HD2 LYS 112 9.731 6.317 -8.137 901 HD3 LYS 112 HD1 LYS 112 10.416 6.755 -9.704 902 HE2 LYS 112 HE2 LYS 112 9.045 4.916 -10.162 903 HE3 LYS 112 HE1 LYS 112 10.673 4.243 -10.093 904 HZ1 LYS 112 HZ1 LYS 112 9.923 3.965 -7.561 905 HZ2 LYS 112 HZ2 LYS 112 9.677 2.773 -8.735 906 HZ3 LYS 112 HZ3 LYS 112 8.416 3.819 -8.317 907 H ASP 113 HN ASP 113 14.715 9.432 -7.792 908 HA ASP 113 HA ASP 113 16.289 9.445 -10.265 909 HB2 ASP 113 HB2 ASP 113 14.864 11.531 -8.682 910 HB3 ASP 113 HB1 ASP 113 16.276 12.024 -9.612 911 H ALA 114 HN ALA 114 16.541 9.891 -6.809 912 HA ALA 114 HA ALA 114 19.387 10.560 -7.067 913 HB1 ALA 114 HB1 ALA 114 17.333 11.025 -4.978 914 HB2 ALA 114 HB2 ALA 114 18.595 12.096 -5.586 915 HB3 ALA 114 HB3 ALA 114 19.002 10.808 -4.452 916 H ASP 115 HN ASP 115 17.213 8.326 -5.359 917 HA ASP 115 HA ASP 115 17.534 6.247 -4.495 918 HB2 ASP 115 HB2 ASP 115 19.501 6.391 -6.719 919 HB3 ASP 115 HB1 ASP 115 19.697 5.077 -5.563 920 H1 ASP 453 HN ASP 453 -15.171 -15.120 -0.869 921 HA ASP 453 HA ASP 453 -14.586 -14.005 -3.534 922 HB2 ASP 453 HB2 ASP 453 -16.952 -15.124 -2.886 923 HB3 ASP 453 HB1 ASP 453 -17.247 -13.478 -2.334 924 H LEU 454 HN LEU 454 -13.258 -12.346 -3.025 925 HA LEU 454 HA LEU 454 -14.339 -9.984 -1.939 926 HB2 LEU 454 HB2 LEU 454 -13.735 -11.645 0.077 927 HB3 LEU 454 HB1 LEU 454 -12.161 -10.907 -0.150 928 HG LEU 454 HG LEU 454 -13.590 -8.671 -0.049 929 HD11 LEU 454 HD11 LEU 454 -15.762 -9.342 0.221 930 HD12 LEU 454 HD12 LEU 454 -15.268 -9.174 1.906 931 HD13 LEU 454 HD13 LEU 454 -15.322 -10.770 1.157 932 HD21 LEU 454 HD21 LEU 454 -12.326 -10.359 2.023 933 HD22 LEU 454 HD22 LEU 454 -13.321 -9.018 2.590 934 HD23 LEU 454 HD23 LEU 454 -11.956 -8.711 1.516 935 H ASP 455 HN ASP 455 -11.387 -11.842 -2.514 936 HA ASP 455 HA ASP 455 -9.735 -9.561 -2.954 937 HB2 ASP 455 HB2 ASP 455 -9.206 -12.164 -2.469 938 HB3 ASP 455 HB1 ASP 455 -8.982 -12.136 -4.215 939 H GLU 456 HN GLU 456 -11.782 -11.545 -4.969 940 HA GLU 456 HA GLU 456 -10.769 -10.859 -7.487 941 HB2 GLU 456 HB2 GLU 456 -13.524 -11.660 -6.566 942 HB3 GLU 456 HB1 GLU 456 -13.155 -11.355 -8.258 943 HG2 GLU 456 HG2 GLU 456 -11.220 -13.072 -7.809 944 HG3 GLU 456 HG1 GLU 456 -12.278 -13.579 -6.493 945 H SER 457 HN SER 457 -13.439 -9.390 -5.642 946 HA SER 457 HA SER 457 -13.861 -7.292 -7.516 947 HB2 SER 457 HB2 SER 457 -15.479 -6.473 -6.018 948 HB3 SER 457 HB1 SER 457 -15.492 -8.214 -5.738 949 HG SER 457 HG SER 457 -13.948 -7.724 -3.991 950 H TRP 458 HN TRP 458 -11.847 -7.679 -4.687 951 HA TRP 458 HA TRP 458 -11.241 -4.992 -4.180 952 HB2 TRP 458 HB2 TRP 458 -10.164 -7.603 -3.430 953 HB3 TRP 458 HB1 TRP 458 -8.922 -6.361 -3.540 954 HD1 TRP 458 HD1 TRP 458 -8.547 -6.277 -0.914 955 HE1 TRP 458 HE1 TRP 458 -9.940 -5.292 1.013 956 HE3 TRP 458 HE3 TRP 458 -12.974 -5.593 -3.379 957 HZ2 TRP 458 HZ2 TRP 458 -12.568 -4.350 1.433 958 HZ3 TRP 458 HZ3 TRP 458 -14.878 -4.646 -2.142 959 HH2 TRP 458 HH2 TRP 458 -14.678 -4.037 0.214 960 H ASP 459 HN ASP 459 -10.008 -7.236 -6.560 961 HA ASP 459 HA ASP 459 -7.742 -5.684 -7.315 962 HB2 ASP 459 HB2 ASP 459 -9.161 -8.070 -8.394 963 HB3 ASP 459 HB1 ASP 459 -8.115 -7.177 -9.494 964 H TYR 460 HN TYR 460 -11.093 -5.812 -8.341 965 HA TYR 460 HA TYR 460 -10.769 -4.262 -10.700 966 HB2 TYR 460 HB2 TYR 460 -12.786 -5.767 -9.729 967 HB3 TYR 460 HB1 TYR 460 -13.371 -4.166 -9.289 968 HD1 TYR 460 HD2 TYR 460 -13.953 -2.536 -11.012 969 HD2 TYR 460 HD1 TYR 460 -12.622 -6.442 -12.046 970 HE1 TYR 460 HE2 TYR 460 -14.781 -2.205 -13.303 971 HE2 TYR 460 HE1 TYR 460 -13.445 -6.122 -14.341 972 HH TYR 460 HH TYR 460 -13.989 -4.322 -15.868 973 H ILE 461 HN ILE 461 -11.718 -3.465 -7.379 974 HA ILE 461 HA ILE 461 -12.263 -0.740 -7.832 975 HB ILE 461 HB ILE 461 -13.010 -1.917 -5.816 976 HG12 ILE 461 HG12 ILE 461 -11.183 0.431 -5.252 977 HG13 ILE 461 HG11 ILE 461 -12.864 0.526 -5.769 978 HG21 ILE 461 HG21 ILE 461 -11.220 -3.355 -5.298 979 HG22 ILE 461 HG22 ILE 461 -11.305 -2.208 -3.962 980 HG23 ILE 461 HG23 ILE 461 -10.069 -2.022 -5.206 981 HD11 ILE 461 HD11 ILE 461 -11.838 -0.551 -3.156 982 HD12 ILE 461 HD12 ILE 461 -13.524 -0.603 -3.673 983 HD13 ILE 461 HD13 ILE 461 -12.728 0.950 -3.416 984 H PHE 462 HN PHE 462 -9.282 -2.472 -7.417 985 HA PHE 462 HA PHE 462 -7.794 0.024 -7.053 986 HB2 PHE 462 HB2 PHE 462 -6.948 -2.868 -6.833 987 HB3 PHE 462 HB1 PHE 462 -5.843 -1.507 -6.669 988 HD1 PHE 462 HD1 PHE 462 -7.229 0.401 -5.065 989 HD2 PHE 462 HD2 PHE 462 -7.256 -3.844 -4.777 990 HE1 PHE 462 HE1 PHE 462 -7.787 0.571 -2.675 991 HE2 PHE 462 HE2 PHE 462 -7.815 -3.683 -2.387 992 HZ PHE 462 HZ PHE 462 -8.082 -1.473 -1.333 993 H GLU 463 HN GLU 463 -8.394 -2.507 -9.370 994 HA GLU 463 HA GLU 463 -6.241 -1.665 -11.117 995 HB2 GLU 463 HB2 GLU 463 -6.924 -4.051 -10.927 996 HB3 GLU 463 HB1 GLU 463 -8.473 -3.634 -11.647 997 HG2 GLU 463 HG2 GLU 463 -5.907 -3.030 -13.061 998 HG3 GLU 463 HG1 GLU 463 -6.639 -4.632 -13.140 999 H THR 464 HN THR 464 -9.768 -1.469 -11.002 1000 HA THR 464 HA THR 464 -9.829 0.075 -13.470 1001 HB THR 464 HB THR 464 -12.170 -0.568 -11.681 1002 HG1 THR 464 HG1 THR 464 -11.195 -2.147 -13.821 1003 HG21 THR 464 HG21 THR 464 -12.170 -0.345 -14.666 1004 HG22 THR 464 HG22 THR 464 -12.394 1.062 -13.626 1005 HG23 THR 464 HG23 THR 464 -13.532 -0.283 -13.548 1006 H THR 465 HN THR 465 -9.604 2.203 -13.460 1007 HA THR 465 HA THR 465 -10.955 3.862 -11.555 1008 HB THR 465 HB THR 465 -7.930 3.836 -11.531 1009 HG1 THR 465 HG1 THR 465 -8.334 2.301 -10.144 1010 HG21 THR 465 HG21 THR 465 -8.844 5.252 -9.340 1011 HG22 THR 465 HG22 THR 465 -9.829 5.835 -10.682 1012 HG23 THR 465 HG23 THR 465 -8.070 5.913 -10.780 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 7.276 16.166 11.919 2 H3 PRO 1 HT2 PRO 1 8.619 16.493 11.027 3 HA PRO 1 HA PRO 1 7.537 16.092 9.339 4 HB2 PRO 1 HB2 PRO 1 6.925 13.283 9.730 5 HB3 PRO 1 HB1 PRO 1 8.095 14.029 8.634 6 HG2 PRO 1 HG2 PRO 1 8.821 12.591 10.828 7 HG3 PRO 1 HG1 PRO 1 9.798 13.910 10.159 8 HD2 PRO 1 HD2 PRO 1 7.922 13.943 12.505 9 HD3 PRO 1 HD1 PRO 1 9.538 14.659 12.353 10 H SER 2 HN SER 2 5.510 16.415 8.611 11 HA SER 2 HA SER 2 3.302 15.805 10.451 12 HB2 SER 2 HB2 SER 2 2.987 17.646 8.112 13 HB3 SER 2 HB1 SER 2 2.192 17.689 9.686 14 HG SER 2 HG SER 2 3.697 18.987 10.334 15 H HIS 3 HN HIS 3 4.370 13.764 8.790 16 HA HIS 3 HA HIS 3 2.428 13.455 6.630 17 HB2 HIS 3 HB2 HIS 3 4.770 11.704 7.411 18 HB3 HIS 3 HB1 HIS 3 3.765 11.497 5.981 19 HD1 HIS 3 HD1 HIS 3 3.728 14.627 5.300 20 HD2 HIS 3 HD2 HIS 3 7.079 12.264 5.975 21 HE1 HIS 3 HE1 HIS 3 5.625 15.803 4.141 22 HE2 HIS 3 HE2 HIS 3 7.657 14.397 4.632 23 H SER 4 HN SER 4 0.510 12.998 7.655 24 HA SER 4 HA SER 4 0.153 10.299 8.534 25 HB2 SER 4 HB2 SER 4 -0.572 12.373 10.592 26 HB3 SER 4 HB1 SER 4 -0.433 10.626 10.788 27 HG SER 4 HG SER 4 1.473 12.552 11.010 28 H GLY 5 HN GLY 5 -2.151 9.841 9.060 29 HA2 GLY 5 HA2 GLY 5 -4.179 11.757 8.550 30 HA3 GLY 5 HA1 GLY 5 -3.865 10.816 7.100 31 H ALA 6 HN ALA 6 -6.317 10.875 8.542 32 HA ALA 6 HA ALA 6 -6.652 8.707 10.289 33 HB1 ALA 6 HB1 ALA 6 -8.377 10.290 10.260 34 HB2 ALA 6 HB2 ALA 6 -9.083 8.855 9.518 35 HB3 ALA 6 HB3 ALA 6 -8.552 10.199 8.508 36 H ALA 7 HN ALA 7 -6.047 6.697 9.786 37 HA ALA 7 HA ALA 7 -7.031 5.560 7.252 38 HB1 ALA 7 HB1 ALA 7 -4.438 4.737 8.531 39 HB2 ALA 7 HB2 ALA 7 -4.535 6.006 7.310 40 HB3 ALA 7 HB3 ALA 7 -5.028 4.359 6.913 41 H ILE 8 HN ILE 8 -7.442 3.265 7.293 42 HA ILE 8 HA ILE 8 -7.807 2.156 9.994 43 HB ILE 8 HB ILE 8 -9.809 1.837 7.759 44 HG12 ILE 8 HG12 ILE 8 -9.896 3.631 10.196 45 HG13 ILE 8 HG11 ILE 8 -9.797 4.157 8.518 46 HG21 ILE 8 HG21 ILE 8 -10.543 1.340 10.567 47 HG22 ILE 8 HG22 ILE 8 -9.398 0.199 9.861 48 HG23 ILE 8 HG23 ILE 8 -10.971 0.452 9.104 49 HD11 ILE 8 HD11 ILE 8 -12.054 2.484 8.727 50 HD12 ILE 8 HD12 ILE 8 -12.001 4.224 8.443 51 HD13 ILE 8 HD13 ILE 8 -12.098 3.601 10.091 52 H PHE 9 HN PHE 9 -6.629 0.378 10.168 53 HA PHE 9 HA PHE 9 -6.340 -1.360 7.805 54 HB2 PHE 9 HB2 PHE 9 -4.254 -0.175 8.723 55 HB3 PHE 9 HB1 PHE 9 -4.389 -1.263 10.100 56 HD1 PHE 9 HD2 PHE 9 -4.743 -1.699 6.409 57 HD2 PHE 9 HD1 PHE 9 -2.818 -2.923 10.001 58 HE1 PHE 9 HE2 PHE 9 -3.516 -3.427 5.158 59 HE2 PHE 9 HE1 PHE 9 -1.587 -4.653 8.757 60 HZ PHE 9 HZ PHE 9 -1.936 -4.906 6.332 61 H GLU 10 HN GLU 10 -6.735 -3.516 8.019 62 HA GLU 10 HA GLU 10 -7.593 -5.439 8.877 63 HB2 GLU 10 HB2 GLU 10 -6.514 -4.406 11.506 64 HB3 GLU 10 HB1 GLU 10 -6.957 -6.069 11.145 65 HG2 GLU 10 HG2 GLU 10 -5.162 -5.578 9.179 66 HG3 GLU 10 HG1 GLU 10 -4.527 -4.571 10.479 67 H LYS 11 HN LYS 11 -9.233 -3.031 8.766 68 HA LYS 11 HA LYS 11 -11.342 -2.381 9.310 69 HB2 LYS 11 HB2 LYS 11 -11.455 -5.068 9.385 70 HB3 LYS 11 HB1 LYS 11 -11.851 -4.719 11.063 71 HG2 LYS 11 HG2 LYS 11 -13.288 -3.526 8.704 72 HG3 LYS 11 HG1 LYS 11 -13.823 -4.962 9.578 73 HD2 LYS 11 HD2 LYS 11 -13.763 -3.518 11.672 74 HD3 LYS 11 HD1 LYS 11 -13.605 -2.136 10.586 75 HE2 LYS 11 HE2 LYS 11 -15.856 -2.139 10.675 76 HE3 LYS 11 HE1 LYS 11 -15.700 -3.402 9.455 77 HZ1 LYS 11 HZ1 LYS 11 -15.569 -4.919 11.561 78 HZ2 LYS 11 HZ2 LYS 11 -17.066 -4.415 10.956 79 HZ3 LYS 11 HZ3 LYS 11 -16.389 -3.635 12.296 80 H VAL 12 HN VAL 12 -9.191 -1.492 10.916 81 HA VAL 12 HA VAL 12 -10.597 -1.083 13.470 82 HB VAL 12 HB VAL 12 -7.603 -1.339 13.144 83 HG11 VAL 12 HG11 VAL 12 -8.659 -1.502 15.838 84 HG12 VAL 12 HG12 VAL 12 -9.036 0.043 15.076 85 HG13 VAL 12 HG13 VAL 12 -7.362 -0.496 15.194 86 HG21 VAL 12 HG21 VAL 12 -8.014 -3.356 14.665 87 HG22 VAL 12 HG22 VAL 12 -8.436 -3.518 12.960 88 HG23 VAL 12 HG23 VAL 12 -9.699 -3.231 14.158 89 H SER 13 HN SER 13 -10.915 0.972 14.009 90 HA SER 13 HA SER 13 -10.064 3.065 12.247 91 HB2 SER 13 HB2 SER 13 -11.700 2.972 14.769 92 HB3 SER 13 HB1 SER 13 -11.195 4.514 14.079 93 HG SER 13 HG SER 13 -12.211 3.812 12.106 94 H GLY 14 HN GLY 14 -8.218 4.153 12.344 95 HA2 GLY 14 HA2 GLY 14 -7.070 4.942 14.867 96 HA3 GLY 14 HA1 GLY 14 -6.121 3.730 14.021 97 H ILE 15 HN ILE 15 -4.669 5.774 14.342 98 HA ILE 15 HA ILE 15 -4.956 7.497 11.969 99 HB ILE 15 HB ILE 15 -3.307 8.096 14.423 100 HG12 ILE 15 HG12 ILE 15 -5.692 7.972 15.012 101 HG13 ILE 15 HG11 ILE 15 -5.101 9.629 15.089 102 HG21 ILE 15 HG21 ILE 15 -3.360 10.399 13.520 103 HG22 ILE 15 HG22 ILE 15 -4.188 9.787 12.088 104 HG23 ILE 15 HG23 ILE 15 -2.546 9.255 12.453 105 HD11 ILE 15 HD11 ILE 15 -6.046 9.378 12.505 106 HD12 ILE 15 HD12 ILE 15 -6.857 10.174 13.854 107 HD13 ILE 15 HD13 ILE 15 -7.212 8.487 13.483 108 H ILE 16 HN ILE 16 -3.480 7.342 10.411 109 HA ILE 16 HA ILE 16 -1.110 5.688 10.909 110 HB ILE 16 HB ILE 16 -2.910 6.009 8.650 111 HG12 ILE 16 HG12 ILE 16 -0.691 4.006 9.005 112 HG13 ILE 16 HG11 ILE 16 -2.192 3.915 9.920 113 HG21 ILE 16 HG21 ILE 16 0.041 6.134 8.049 114 HG22 ILE 16 HG22 ILE 16 -1.155 7.381 7.691 115 HG23 ILE 16 HG23 ILE 16 -1.232 5.823 6.869 116 HD11 ILE 16 HD11 ILE 16 -3.337 3.108 8.180 117 HD12 ILE 16 HD12 ILE 16 -1.744 2.705 7.539 118 HD13 ILE 16 HD13 ILE 16 -2.550 4.189 7.030 119 H ALA 17 HN ALA 17 0.841 6.573 11.027 120 HA ALA 17 HA ALA 17 1.312 9.178 9.752 121 HB1 ALA 17 HB1 ALA 17 1.862 8.441 12.612 122 HB2 ALA 17 HB2 ALA 17 0.962 9.821 11.983 123 HB3 ALA 17 HB3 ALA 17 2.715 9.755 11.802 124 H ILE 18 HN ILE 18 3.260 9.395 8.775 125 HA ILE 18 HA ILE 18 4.930 7.019 8.629 126 HB ILE 18 HB ILE 18 5.280 9.607 7.120 127 HG12 ILE 18 HG12 ILE 18 3.744 7.127 6.313 128 HG13 ILE 18 HG11 ILE 18 3.033 8.685 6.722 129 HG21 ILE 18 HG21 ILE 18 7.208 8.560 6.625 130 HG22 ILE 18 HG22 ILE 18 6.199 7.632 5.517 131 HG23 ILE 18 HG23 ILE 18 6.595 6.979 7.106 132 HD11 ILE 18 HD11 ILE 18 3.780 9.677 4.768 133 HD12 ILE 18 HD12 ILE 18 3.316 8.056 4.250 134 HD13 ILE 18 HD13 ILE 18 5.017 8.449 4.500 135 H ASN 19 HN ASN 19 6.942 6.823 9.435 136 HA ASN 19 HA ASN 19 7.996 9.100 10.970 137 HB2 ASN 19 HB2 ASN 19 8.180 6.127 11.337 138 HB3 ASN 19 HB1 ASN 19 9.407 7.178 12.037 139 HD21 ASN 19 HD21 ASN 19 9.028 7.950 13.984 140 HD22 ASN 19 HD22 ASN 19 7.488 8.026 14.763 141 H GLU 20 HN GLU 20 9.538 10.168 9.929 142 HA GLU 20 HA GLU 20 11.339 8.685 8.144 143 HB2 GLU 20 HB2 GLU 20 10.983 11.678 8.292 144 HB3 GLU 20 HB1 GLU 20 11.787 10.757 7.028 145 HG2 GLU 20 HG2 GLU 20 8.978 10.043 7.491 146 HG3 GLU 20 HG1 GLU 20 9.252 11.675 6.883 147 H ASP 21 HN ASP 21 11.549 8.842 11.105 148 HA ASP 21 HA ASP 21 14.016 10.382 11.437 149 HB2 ASP 21 HB2 ASP 21 13.730 9.874 13.856 150 HB3 ASP 21 HB1 ASP 21 12.354 10.729 13.165 151 H VAL 22 HN VAL 22 13.721 7.773 9.953 152 HA VAL 22 HA VAL 22 16.067 6.509 11.086 153 HB VAL 22 HB VAL 22 14.251 5.386 12.293 154 HG11 VAL 22 HG11 VAL 22 13.252 4.236 9.718 155 HG12 VAL 22 HG12 VAL 22 12.623 5.769 10.323 156 HG13 VAL 22 HG13 VAL 22 12.461 4.305 11.293 157 HG21 VAL 22 HG21 VAL 22 15.426 3.501 12.236 158 HG22 VAL 22 HG22 VAL 22 16.304 4.163 10.859 159 HG23 VAL 22 HG23 VAL 22 14.889 3.145 10.596 160 H SER 23 HN SER 23 17.206 5.257 9.573 161 HA SER 23 HA SER 23 17.192 5.996 6.955 162 HB2 SER 23 HB2 SER 23 19.084 4.797 7.432 163 HB3 SER 23 HB1 SER 23 18.214 3.594 8.382 164 HG SER 23 HG SER 23 18.714 2.518 6.575 165 HA PRO 24 HA PRO 24 14.433 2.383 5.447 166 HB2 PRO 24 HB2 PRO 24 13.446 0.616 7.252 167 HB3 PRO 24 HB1 PRO 24 15.018 0.400 6.472 168 HG2 PRO 24 HG2 PRO 24 14.387 1.491 9.190 169 HG3 PRO 24 HG1 PRO 24 15.655 0.347 8.711 170 HD2 PRO 24 HD2 PRO 24 16.156 2.973 9.122 171 HD3 PRO 24 HD1 PRO 24 17.037 2.014 7.917 172 H ALA 25 HN ALA 25 13.093 4.259 5.273 173 HA ALA 25 HA ALA 25 11.445 5.453 7.042 174 HB1 ALA 25 HB1 ALA 25 11.652 6.082 4.670 175 HB2 ALA 25 HB2 ALA 25 9.974 6.034 5.212 176 HB3 ALA 25 HB3 ALA 25 10.623 4.716 4.236 177 H GLU 26 HN GLU 26 9.993 4.771 8.450 178 HA GLU 26 HA GLU 26 8.352 2.420 7.759 179 HB2 GLU 26 HB2 GLU 26 8.256 2.039 10.273 180 HB3 GLU 26 HB1 GLU 26 9.787 1.687 9.483 181 HG2 GLU 26 HG2 GLU 26 10.866 3.418 10.487 182 HG3 GLU 26 HG1 GLU 26 9.409 4.402 10.611 183 H LEU 27 HN LEU 27 6.189 2.427 8.386 184 HA LEU 27 HA LEU 27 5.137 5.080 9.112 185 HB2 LEU 27 HB2 LEU 27 4.447 4.426 6.899 186 HB3 LEU 27 HB1 LEU 27 3.916 2.859 7.477 187 HG LEU 27 HG LEU 27 2.636 5.324 8.581 188 HD11 LEU 27 HD11 LEU 27 0.925 4.679 6.608 189 HD12 LEU 27 HD12 LEU 27 2.461 4.355 5.805 190 HD13 LEU 27 HD13 LEU 27 2.137 5.953 6.477 191 HD21 LEU 27 HD21 LEU 27 1.234 3.856 9.485 192 HD22 LEU 27 HD22 LEU 27 2.302 2.573 8.918 193 HD23 LEU 27 HD23 LEU 27 0.938 3.088 7.926 194 H THR 28 HN THR 28 3.989 5.285 10.932 195 HA THR 28 HA THR 28 3.452 2.863 12.489 196 HB THR 28 HB THR 28 3.132 5.640 13.567 197 HG1 THR 28 HG1 THR 28 5.561 4.295 13.051 198 HG21 THR 28 HG21 THR 28 2.600 3.565 14.912 199 HG22 THR 28 HG22 THR 28 3.716 4.720 15.640 200 HG23 THR 28 HG23 THR 28 4.333 3.242 14.903 201 H TRP 29 HN TRP 29 1.438 2.488 13.470 202 HA TRP 29 HA TRP 29 -0.808 4.157 12.630 203 HB2 TRP 29 HB2 TRP 29 -0.777 2.517 10.887 204 HB3 TRP 29 HB1 TRP 29 -0.532 1.208 12.037 205 HD1 TRP 29 HD1 TRP 29 -3.278 3.938 11.596 206 HE1 TRP 29 HE1 TRP 29 -5.568 2.792 11.856 207 HE3 TRP 29 HE3 TRP 29 -1.697 -0.848 12.451 208 HZ2 TRP 29 HZ2 TRP 29 -6.571 0.201 12.359 209 HZ3 TRP 29 HZ3 TRP 29 -3.385 -2.601 12.812 210 HH2 TRP 29 HH2 TRP 29 -5.772 -2.086 12.767 211 H ARG 30 HN ARG 30 -1.751 4.702 14.478 212 HA ARG 30 HA ARG 30 -2.009 2.653 16.581 213 HB2 ARG 30 HB2 ARG 30 -2.247 4.662 18.131 214 HB3 ARG 30 HB1 ARG 30 -0.646 4.362 17.468 215 HG2 ARG 30 HG2 ARG 30 -0.635 6.269 16.267 216 HG3 ARG 30 HG1 ARG 30 -2.363 6.185 15.915 217 HD2 ARG 30 HD2 ARG 30 -1.370 6.795 18.677 218 HD3 ARG 30 HD1 ARG 30 -1.503 8.063 17.459 219 HE ARG 30 HE ARG 30 -3.898 6.505 17.774 220 HH11 ARG 30 HH11 ARG 30 -2.096 9.250 18.954 221 HH12 ARG 30 HH12 ARG 30 -3.492 10.049 19.596 222 HH21 ARG 30 HH21 ARG 30 -5.735 7.554 18.617 223 HH22 ARG 30 HH22 ARG 30 -5.558 9.086 19.405 224 H SER 31 HN SER 31 -3.996 2.127 17.272 225 HA SER 31 HA SER 31 -6.281 2.834 15.834 226 HB2 SER 31 HB2 SER 31 -7.489 1.496 17.335 227 HB3 SER 31 HB1 SER 31 -5.864 0.814 17.404 228 HG SER 31 HG SER 31 -7.300 1.759 19.400 229 H THR 32 HN THR 32 -8.157 4.030 16.478 230 HA THR 32 HA THR 32 -7.629 6.624 17.348 231 HB THR 32 HB THR 32 -10.117 6.836 17.548 232 HG1 THR 32 HG1 THR 32 -10.134 4.115 16.764 233 HG21 THR 32 HG21 THR 32 -8.954 5.585 15.089 234 HG22 THR 32 HG22 THR 32 -9.350 7.277 15.390 235 HG23 THR 32 HG23 THR 32 -10.640 6.094 15.176 236 H ASP 33 HN ASP 33 -9.121 3.920 19.113 237 HA ASP 33 HA ASP 33 -9.471 5.342 21.535 238 HB2 ASP 33 HB2 ASP 33 -10.431 3.014 20.655 239 HB3 ASP 33 HB1 ASP 33 -9.078 2.389 21.593 240 H GLY 34 HN GLY 34 -6.807 3.532 20.174 241 HA2 GLY 34 HA2 GLY 34 -4.556 3.814 20.794 242 HA3 GLY 34 HA1 GLY 34 -5.086 4.534 22.307 243 H ASP 35 HN ASP 35 -5.965 1.421 20.846 244 HA ASP 35 HA ASP 35 -4.880 0.105 23.249 245 HB2 ASP 35 HB2 ASP 35 -7.476 0.105 22.537 246 HB3 ASP 35 HB1 ASP 35 -6.928 -1.297 21.622 247 H LYS 36 HN LYS 36 -5.294 -0.112 19.754 248 HA LYS 36 HA LYS 36 -3.169 -2.155 19.703 249 HB2 LYS 36 HB2 LYS 36 -5.722 -1.935 18.190 250 HB3 LYS 36 HB1 LYS 36 -4.325 -2.566 17.330 251 HG2 LYS 36 HG2 LYS 36 -4.677 -4.555 18.226 252 HG3 LYS 36 HG1 LYS 36 -4.433 -3.874 19.835 253 HD2 LYS 36 HD2 LYS 36 -6.555 -4.550 20.176 254 HD3 LYS 36 HD1 LYS 36 -6.967 -3.064 19.319 255 HE2 LYS 36 HE2 LYS 36 -6.571 -5.724 17.962 256 HE3 LYS 36 HE1 LYS 36 -8.139 -5.129 18.504 257 HZ1 LYS 36 HZ1 LYS 36 -7.902 -3.233 17.043 258 HZ2 LYS 36 HZ2 LYS 36 -7.745 -4.665 16.156 259 HZ3 LYS 36 HZ3 LYS 36 -6.372 -3.759 16.548 260 H VAL 37 HN VAL 37 -1.431 -1.792 18.432 261 HA VAL 37 HA VAL 37 -1.508 0.304 16.414 262 HB VAL 37 HB VAL 37 -0.874 1.490 18.476 263 HG11 VAL 37 HG11 VAL 37 1.724 0.036 18.569 264 HG12 VAL 37 HG12 VAL 37 0.313 -0.684 19.344 265 HG13 VAL 37 HG13 VAL 37 0.874 0.912 19.843 266 HG21 VAL 37 HG21 VAL 37 0.016 2.564 16.648 267 HG22 VAL 37 HG22 VAL 37 1.054 1.204 16.217 268 HG23 VAL 37 HG23 VAL 37 1.472 2.233 17.587 269 H HIS 38 HN HIS 38 -0.413 -0.314 14.669 270 HA HIS 38 HA HIS 38 1.760 -2.276 14.988 271 HB2 HIS 38 HB2 HIS 38 -0.262 -3.391 14.126 272 HB3 HIS 38 HB1 HIS 38 -0.319 -2.246 12.789 273 HD1 HIS 38 HD1 HIS 38 1.321 -5.360 13.922 274 HD2 HIS 38 HD2 HIS 38 1.734 -2.604 10.839 275 HE1 HIS 38 HE1 HIS 38 2.806 -6.469 12.223 276 HE2 HIS 38 HE2 HIS 38 2.974 -4.815 10.329 277 H THR 39 HN THR 39 3.454 -2.160 13.463 278 HA THR 39 HA THR 39 3.592 0.417 12.041 279 HB THR 39 HB THR 39 6.081 -1.079 12.670 280 HG1 THR 39 HG1 THR 39 4.583 0.322 14.628 281 HG21 THR 39 HG21 THR 39 7.032 1.061 12.991 282 HG22 THR 39 HG22 THR 39 5.446 1.831 13.047 283 HG23 THR 39 HG23 THR 39 6.043 1.151 11.533 284 H VAL 40 HN VAL 40 4.480 0.487 9.967 285 HA VAL 40 HA VAL 40 4.999 -2.093 8.663 286 HB VAL 40 HB VAL 40 2.668 -1.497 8.173 287 HG11 VAL 40 HG11 VAL 40 3.447 1.077 8.239 288 HG12 VAL 40 HG12 VAL 40 1.960 0.526 7.468 289 HG13 VAL 40 HG13 VAL 40 3.403 0.813 6.496 290 HG21 VAL 40 HG21 VAL 40 2.808 -2.216 6.040 291 HG22 VAL 40 HG22 VAL 40 4.525 -2.364 6.416 292 HG23 VAL 40 HG23 VAL 40 3.928 -0.936 5.570 293 H VAL 41 HN VAL 41 7.015 -1.971 7.934 294 HA VAL 41 HA VAL 41 8.422 0.433 7.493 295 HB VAL 41 HB VAL 41 9.127 -2.268 6.346 296 HG11 VAL 41 HG11 VAL 41 10.528 0.316 6.663 297 HG12 VAL 41 HG12 VAL 41 10.703 -0.928 5.425 298 HG13 VAL 41 HG13 VAL 41 11.463 -1.140 7.003 299 HG21 VAL 41 HG21 VAL 41 9.020 -2.901 8.520 300 HG22 VAL 41 HG22 VAL 41 9.194 -1.253 9.124 301 HG23 VAL 41 HG23 VAL 41 10.612 -2.144 8.568 302 H LEU 42 HN LEU 42 7.734 1.828 5.978 303 HA LEU 42 HA LEU 42 6.441 1.168 3.584 304 HB2 LEU 42 HB2 LEU 42 7.985 3.621 4.407 305 HB3 LEU 42 HB1 LEU 42 7.126 3.505 2.883 306 HG LEU 42 HG LEU 42 5.908 3.390 5.642 307 HD11 LEU 42 HD11 LEU 42 5.974 5.455 3.468 308 HD12 LEU 42 HD12 LEU 42 6.384 5.628 5.175 309 HD13 LEU 42 HD13 LEU 42 4.701 5.432 4.688 310 HD21 LEU 42 HD21 LEU 42 3.804 3.610 4.006 311 HD22 LEU 42 HD22 LEU 42 4.419 2.058 4.576 312 HD23 LEU 42 HD23 LEU 42 4.866 2.650 2.976 313 H SER 43 HN SER 43 9.817 1.311 4.411 314 HA SER 43 HA SER 43 10.977 1.597 1.898 315 HB2 SER 43 HB2 SER 43 12.136 -0.261 3.958 316 HB3 SER 43 HB1 SER 43 12.973 0.842 2.865 317 HG SER 43 HG SER 43 12.404 2.539 4.126 318 H THR 44 HN THR 44 9.451 -1.167 3.382 319 HA THR 44 HA THR 44 10.461 -3.137 1.607 320 HB THR 44 HB THR 44 8.731 -4.580 2.507 321 HG1 THR 44 HG1 THR 44 7.618 -2.157 3.441 322 HG21 THR 44 HG21 THR 44 10.231 -2.855 4.380 323 HG22 THR 44 HG22 THR 44 10.279 -4.604 4.153 324 HG23 THR 44 HG23 THR 44 8.950 -3.867 5.049 325 H ILE 45 HN ILE 45 7.834 -0.860 1.442 326 HA ILE 45 HA ILE 45 6.283 -2.071 -0.558 327 HB ILE 45 HB ILE 45 6.665 0.897 -0.157 328 HG12 ILE 45 HG12 ILE 45 6.092 -0.111 1.974 329 HG13 ILE 45 HG11 ILE 45 4.684 0.733 1.338 330 HG21 ILE 45 HG21 ILE 45 4.335 0.997 -1.021 331 HG22 ILE 45 HG22 ILE 45 4.440 -0.727 -1.379 332 HG23 ILE 45 HG23 ILE 45 5.508 0.410 -2.200 333 HD11 ILE 45 HD11 ILE 45 4.972 -2.011 2.087 334 HD12 ILE 45 HD12 ILE 45 4.494 -1.893 0.393 335 HD13 ILE 45 HD13 ILE 45 3.519 -1.117 1.641 336 H ASP 46 HN ASP 46 6.129 -1.575 -2.813 337 HA ASP 46 HA ASP 46 8.687 -0.715 -3.998 338 HB2 ASP 46 HB2 ASP 46 8.094 -3.183 -4.212 339 HB3 ASP 46 HB1 ASP 46 6.773 -2.677 -5.261 340 H LYS 47 HN LYS 47 5.196 -1.002 -4.629 341 HA LYS 47 HA LYS 47 5.357 1.518 -6.132 342 HB2 LYS 47 HB2 LYS 47 4.928 0.289 -7.975 343 HB3 LYS 47 HB1 LYS 47 4.430 -1.110 -7.039 344 HG2 LYS 47 HG2 LYS 47 2.213 -0.217 -6.787 345 HG3 LYS 47 HG1 LYS 47 2.691 1.290 -7.571 346 HD2 LYS 47 HD2 LYS 47 1.581 0.052 -9.238 347 HD3 LYS 47 HD1 LYS 47 3.300 -0.138 -9.589 348 HE2 LYS 47 HE2 LYS 47 3.318 -2.342 -9.002 349 HE3 LYS 47 HE1 LYS 47 2.027 -2.149 -7.817 350 HZ1 LYS 47 HZ1 LYS 47 1.852 -2.631 -10.695 351 HZ2 LYS 47 HZ2 LYS 47 0.646 -1.678 -9.989 352 HZ3 LYS 47 HZ3 LYS 47 0.909 -3.255 -9.436 353 H LEU 48 HN LEU 48 3.324 2.706 -6.227 354 HA LEU 48 HA LEU 48 1.711 2.245 -3.809 355 HB2 LEU 48 HB2 LEU 48 2.713 4.673 -5.176 356 HB3 LEU 48 HB1 LEU 48 1.100 4.779 -4.496 357 HG LEU 48 HG LEU 48 3.125 3.660 -2.675 358 HD11 LEU 48 HD11 LEU 48 3.242 6.606 -2.929 359 HD12 LEU 48 HD12 LEU 48 4.124 5.660 -4.127 360 HD13 LEU 48 HD13 LEU 48 4.477 5.459 -2.411 361 HD21 LEU 48 HD21 LEU 48 1.204 5.942 -2.289 362 HD22 LEU 48 HD22 LEU 48 1.945 4.920 -1.058 363 HD23 LEU 48 HD23 LEU 48 0.729 4.250 -2.146 364 H GLN 49 HN GLN 49 -0.497 2.184 -3.915 365 HA GLN 49 HA GLN 49 -1.806 2.662 -6.481 366 HB2 GLN 49 HB2 GLN 49 -1.083 0.133 -5.929 367 HB3 GLN 49 HB1 GLN 49 -2.625 0.175 -5.085 368 HG2 GLN 49 HG2 GLN 49 -3.832 0.343 -7.001 369 HG3 GLN 49 HG1 GLN 49 -2.558 1.207 -7.860 370 HE21 GLN 49 HE21 GLN 49 -0.454 -0.306 -7.890 371 HE22 GLN 49 HE22 GLN 49 -0.756 -1.865 -8.571 372 H ALA 50 HN ALA 50 -3.946 3.264 -6.322 373 HA ALA 50 HA ALA 50 -5.303 3.126 -3.760 374 HB1 ALA 50 HB1 ALA 50 -5.314 5.853 -4.875 375 HB2 ALA 50 HB2 ALA 50 -3.796 5.326 -4.148 376 HB3 ALA 50 HB3 ALA 50 -5.282 5.309 -3.198 377 H THR 51 HN THR 51 -7.555 3.907 -3.903 378 HA THR 51 HA THR 51 -8.812 2.913 -6.247 379 HB THR 51 HB THR 51 -10.875 3.378 -5.161 380 HG1 THR 51 HG1 THR 51 -10.828 5.407 -4.472 381 HG21 THR 51 HG21 THR 51 -9.178 1.780 -3.967 382 HG22 THR 51 HG22 THR 51 -10.710 2.215 -3.209 383 HG23 THR 51 HG23 THR 51 -9.223 3.026 -2.719 384 HA PRO 52 HA PRO 52 -9.101 6.514 -8.771 385 HB2 PRO 52 HB2 PRO 52 -11.502 6.150 -9.983 386 HB3 PRO 52 HB1 PRO 52 -10.072 5.191 -10.380 387 HG2 PRO 52 HG2 PRO 52 -12.381 4.502 -8.603 388 HG3 PRO 52 HG1 PRO 52 -11.554 3.494 -9.805 389 HD2 PRO 52 HD2 PRO 52 -11.058 3.297 -7.151 390 HD3 PRO 52 HD1 PRO 52 -9.809 3.004 -8.379 391 H ALA 53 HN ALA 53 -10.287 8.497 -9.128 392 HA ALA 53 HA ALA 53 -11.384 9.569 -6.750 393 HB1 ALA 53 HB1 ALA 53 -10.218 10.659 -8.912 394 HB2 ALA 53 HB2 ALA 53 -11.198 11.576 -7.768 395 HB3 ALA 53 HB3 ALA 53 -11.910 11.000 -9.275 396 H SER 54 HN SER 54 -12.794 8.172 -9.624 397 HA SER 54 HA SER 54 -15.425 9.148 -9.281 398 HB2 SER 54 HB2 SER 54 -14.149 6.967 -10.863 399 HB3 SER 54 HB1 SER 54 -15.897 6.905 -10.642 400 HG SER 54 HG SER 54 -15.970 9.054 -11.486 401 H SER 55 HN SER 55 -13.684 6.428 -7.944 402 HA SER 55 HA SER 55 -15.875 4.951 -6.979 403 HB2 SER 55 HB2 SER 55 -12.959 5.055 -6.418 404 HB3 SER 55 HB1 SER 55 -13.977 4.312 -5.185 405 HG SER 55 HG SER 55 -13.088 3.147 -7.301 406 H GLU 56 HN GLU 56 -17.290 5.392 -5.431 407 HA GLU 56 HA GLU 56 -17.275 7.762 -3.943 408 HB2 GLU 56 HB2 GLU 56 -18.813 5.190 -3.679 409 HB3 GLU 56 HB1 GLU 56 -19.041 6.511 -2.541 410 HG2 GLU 56 HG2 GLU 56 -19.271 7.802 -4.922 411 HG3 GLU 56 HG1 GLU 56 -19.954 6.222 -5.304 412 H LYS 57 HN LYS 57 -16.020 4.576 -3.236 413 HA LYS 57 HA LYS 57 -15.377 5.354 -0.493 414 HB2 LYS 57 HB2 LYS 57 -14.639 2.989 -0.256 415 HB3 LYS 57 HB1 LYS 57 -16.325 3.153 -0.726 416 HG2 LYS 57 HG2 LYS 57 -14.735 2.985 -3.083 417 HG3 LYS 57 HG1 LYS 57 -14.283 1.673 -1.994 418 HD2 LYS 57 HD2 LYS 57 -17.176 2.151 -2.267 419 HD3 LYS 57 HD1 LYS 57 -16.365 1.570 -3.722 420 HE2 LYS 57 HE2 LYS 57 -15.320 -0.200 -2.174 421 HE3 LYS 57 HE1 LYS 57 -16.584 0.257 -1.034 422 HZ1 LYS 57 HZ1 LYS 57 -16.910 -1.645 -2.824 423 HZ2 LYS 57 HZ2 LYS 57 -17.419 -0.334 -3.764 424 HZ3 LYS 57 HZ3 LYS 57 -18.192 -0.674 -2.298 425 H MET 58 HN MET 58 -13.567 6.488 -0.258 426 HA MET 58 HA MET 58 -11.357 6.170 -2.109 427 HB2 MET 58 HB2 MET 58 -11.485 7.941 0.332 428 HB3 MET 58 HB1 MET 58 -10.388 8.084 -1.035 429 HG2 MET 58 HG2 MET 58 -11.904 9.140 -2.316 430 HG3 MET 58 HG1 MET 58 -13.254 8.198 -1.686 431 HE1 MET 58 HE1 MET 58 -14.063 9.962 1.663 432 HE2 MET 58 HE2 MET 58 -12.664 8.887 1.643 433 HE3 MET 58 HE3 MET 58 -14.116 8.463 0.736 434 H MET 59 HN MET 59 -9.816 4.716 -1.808 435 HA MET 59 HA MET 59 -8.858 4.179 0.902 436 HB2 MET 59 HB2 MET 59 -9.485 1.944 -1.029 437 HB3 MET 59 HB1 MET 59 -8.948 1.793 0.639 438 HG2 MET 59 HG2 MET 59 -11.214 3.262 0.934 439 HG3 MET 59 HG1 MET 59 -11.625 2.251 -0.450 440 HE1 MET 59 HE1 MET 59 -11.509 0.002 -0.643 441 HE2 MET 59 HE2 MET 59 -12.314 -0.984 0.578 442 HE3 MET 59 HE3 MET 59 -10.556 -1.013 0.440 443 H LEU 60 HN LEU 60 -6.778 2.992 0.902 444 HA LEU 60 HA LEU 60 -5.250 3.404 -1.579 445 HB2 LEU 60 HB2 LEU 60 -4.785 5.232 -0.005 446 HB3 LEU 60 HB1 LEU 60 -4.330 4.063 1.220 447 HG LEU 60 HG LEU 60 -2.553 3.296 -0.523 448 HD11 LEU 60 HD11 LEU 60 -3.375 5.993 -1.554 449 HD12 LEU 60 HD12 LEU 60 -3.177 4.484 -2.445 450 HD13 LEU 60 HD13 LEU 60 -1.762 5.336 -1.827 451 HD21 LEU 60 HD21 LEU 60 -1.638 4.139 1.392 452 HD22 LEU 60 HD22 LEU 60 -2.543 5.650 1.293 453 HD23 LEU 60 HD23 LEU 60 -1.144 5.389 0.250 454 H ARG 61 HN ARG 61 -3.564 1.955 -1.966 455 HA ARG 61 HA ARG 61 -3.123 -0.201 -0.053 456 HB2 ARG 61 HB2 ARG 61 -4.987 -0.991 -1.435 457 HB3 ARG 61 HB1 ARG 61 -4.046 -0.691 -2.890 458 HG2 ARG 61 HG2 ARG 61 -2.347 -2.332 -1.879 459 HG3 ARG 61 HG1 ARG 61 -3.667 -2.806 -0.808 460 HD2 ARG 61 HD2 ARG 61 -5.013 -2.996 -3.042 461 HD3 ARG 61 HD1 ARG 61 -3.410 -3.123 -3.766 462 HE ARG 61 HE ARG 61 -3.395 -4.934 -1.717 463 HH11 ARG 61 HH11 ARG 61 -5.387 -4.405 -4.534 464 HH12 ARG 61 HH12 ARG 61 -5.783 -6.080 -4.723 465 HH21 ARG 61 HH21 ARG 61 -3.914 -7.138 -1.965 466 HH22 ARG 61 HH22 ARG 61 -4.947 -7.632 -3.264 467 H LEU 62 HN LEU 62 -1.064 -0.891 -0.043 468 HA LEU 62 HA LEU 62 0.723 0.182 -2.113 469 HB2 LEU 62 HB2 LEU 62 1.376 -0.858 0.647 470 HB3 LEU 62 HB1 LEU 62 2.528 -0.176 -0.486 471 HG LEU 62 HG LEU 62 2.048 1.504 1.125 472 HD11 LEU 62 HD11 LEU 62 2.186 2.258 -1.210 473 HD12 LEU 62 HD12 LEU 62 1.142 3.290 -0.232 474 HD13 LEU 62 HD13 LEU 62 0.433 2.119 -1.344 475 HD21 LEU 62 HD21 LEU 62 -0.318 0.289 1.513 476 HD22 LEU 62 HD22 LEU 62 -0.841 1.679 0.563 477 HD23 LEU 62 HD23 LEU 62 0.042 1.923 2.070 478 H ILE 63 HN ILE 63 2.131 -1.123 -3.233 479 HA ILE 63 HA ILE 63 1.614 -4.012 -3.014 480 HB ILE 63 HB ILE 63 2.839 -2.592 -5.374 481 HG12 ILE 63 HG12 ILE 63 0.584 -1.705 -4.981 482 HG13 ILE 63 HG11 ILE 63 0.622 -2.705 -6.430 483 HG21 ILE 63 HG21 ILE 63 1.971 -5.365 -4.771 484 HG22 ILE 63 HG22 ILE 63 3.348 -4.787 -5.709 485 HG23 ILE 63 HG23 ILE 63 1.731 -4.763 -6.412 486 HD11 ILE 63 HD11 ILE 63 -0.542 -4.445 -5.392 487 HD12 ILE 63 HD12 ILE 63 -1.358 -2.974 -4.863 488 HD13 ILE 63 HD13 ILE 63 -0.240 -3.801 -3.779 489 H GLY 64 HN GLY 64 3.121 -4.764 -1.608 490 HA2 GLY 64 HA2 GLY 64 5.750 -3.819 -1.340 491 HA3 GLY 64 HA1 GLY 64 5.178 -5.393 -0.807 492 H LYS 65 HN LYS 65 7.694 -5.327 -1.637 493 HA LYS 65 HA LYS 65 8.188 -5.621 -4.376 494 HB2 LYS 65 HB2 LYS 65 9.594 -6.369 -1.872 495 HB3 LYS 65 HB1 LYS 65 10.097 -7.200 -3.337 496 HG2 LYS 65 HG2 LYS 65 11.520 -5.420 -3.365 497 HG3 LYS 65 HG1 LYS 65 10.181 -4.760 -4.306 498 HD2 LYS 65 HD2 LYS 65 9.332 -3.600 -2.371 499 HD3 LYS 65 HD1 LYS 65 10.543 -4.362 -1.338 500 HE2 LYS 65 HE2 LYS 65 10.948 -2.299 -3.485 501 HE3 LYS 65 HE1 LYS 65 11.345 -2.187 -1.771 502 HZ1 LYS 65 HZ1 LYS 65 12.970 -4.032 -2.187 503 HZ2 LYS 65 HZ2 LYS 65 13.357 -2.555 -2.913 504 HZ3 LYS 65 HZ3 LYS 65 12.706 -3.809 -3.843 505 H VAL 66 HN VAL 66 9.257 -7.911 -5.056 506 HA VAL 66 HA VAL 66 7.079 -9.868 -4.741 507 HB VAL 66 HB VAL 66 7.366 -9.034 -7.039 508 HG11 VAL 66 HG11 VAL 66 9.880 -10.466 -7.510 509 HG12 VAL 66 HG12 VAL 66 10.035 -9.020 -6.513 510 HG13 VAL 66 HG13 VAL 66 9.326 -8.908 -8.123 511 HG21 VAL 66 HG21 VAL 66 6.798 -11.498 -6.349 512 HG22 VAL 66 HG22 VAL 66 8.344 -11.849 -7.123 513 HG23 VAL 66 HG23 VAL 66 7.053 -11.076 -8.043 514 H ASP 67 HN ASP 67 7.600 -12.089 -4.562 515 HA ASP 67 HA ASP 67 9.815 -12.643 -2.897 516 HB2 ASP 67 HB2 ASP 67 7.487 -13.880 -3.257 517 HB3 ASP 67 HB1 ASP 67 8.455 -14.860 -4.354 518 H GLU 68 HN GLU 68 11.578 -11.841 -4.196 519 HA GLU 68 HA GLU 68 12.292 -12.829 -6.710 520 HB2 GLU 68 HB2 GLU 68 14.645 -12.143 -6.004 521 HB3 GLU 68 HB1 GLU 68 13.411 -10.890 -5.973 522 HG2 GLU 68 HG2 GLU 68 13.311 -10.873 -3.650 523 HG3 GLU 68 HG1 GLU 68 14.081 -12.453 -3.512 524 H SER 69 HN SER 69 12.754 -14.146 -3.508 525 HA SER 69 HA SER 69 14.733 -16.052 -4.102 526 HB2 SER 69 HB2 SER 69 13.849 -15.314 -1.802 527 HB3 SER 69 HB1 SER 69 12.556 -16.484 -2.062 528 HG SER 69 HG SER 69 14.510 -17.233 -0.916 529 H LYS 70 HN LYS 70 11.274 -16.036 -4.581 530 HA LYS 70 HA LYS 70 11.111 -18.849 -5.173 531 HB2 LYS 70 HB2 LYS 70 9.220 -16.553 -5.129 532 HB3 LYS 70 HB1 LYS 70 8.796 -17.931 -6.135 533 HG2 LYS 70 HG2 LYS 70 9.659 -18.547 -3.383 534 HG3 LYS 70 HG1 LYS 70 8.114 -17.713 -3.556 535 HD2 LYS 70 HD2 LYS 70 7.646 -19.525 -5.367 536 HD3 LYS 70 HD1 LYS 70 8.934 -20.413 -4.550 537 HE2 LYS 70 HE2 LYS 70 6.867 -19.246 -2.802 538 HE3 LYS 70 HE1 LYS 70 6.330 -20.552 -3.857 539 HZ1 LYS 70 HZ1 LYS 70 8.486 -21.686 -2.945 540 HZ2 LYS 70 HZ2 LYS 70 7.047 -21.727 -2.057 541 HZ3 LYS 70 HZ3 LYS 70 8.258 -20.618 -1.652 542 H LYS 71 HN LYS 71 10.093 -16.124 -7.218 543 HA LYS 71 HA LYS 71 11.566 -17.331 -9.457 544 HB2 LYS 71 HB2 LYS 71 8.664 -16.841 -9.219 545 HB3 LYS 71 HB1 LYS 71 9.391 -16.318 -10.732 546 HG2 LYS 71 HG2 LYS 71 8.744 -18.470 -11.218 547 HG3 LYS 71 HG1 LYS 71 10.434 -18.690 -10.761 548 HD2 LYS 71 HD2 LYS 71 9.746 -19.342 -8.509 549 HD3 LYS 71 HD1 LYS 71 8.054 -19.101 -8.951 550 HE2 LYS 71 HE2 LYS 71 8.593 -20.795 -10.852 551 HE3 LYS 71 HE1 LYS 71 9.960 -21.232 -9.827 552 HZ1 LYS 71 HZ1 LYS 71 8.372 -22.661 -9.066 553 HZ2 LYS 71 HZ2 LYS 71 7.090 -21.595 -9.350 554 HZ3 LYS 71 HZ3 LYS 71 8.103 -21.361 -8.016 555 H ARG 72 HN ARG 72 12.368 -15.907 -10.987 556 HA ARG 72 HA ARG 72 11.772 -13.083 -10.815 557 HB2 ARG 72 HB2 ARG 72 14.066 -12.381 -10.380 558 HB3 ARG 72 HB1 ARG 72 13.461 -13.359 -9.051 559 HG2 ARG 72 HG2 ARG 72 14.620 -15.320 -10.246 560 HG3 ARG 72 HG1 ARG 72 15.484 -14.066 -11.138 561 HD2 ARG 72 HD2 ARG 72 15.716 -13.194 -8.560 562 HD3 ARG 72 HD1 ARG 72 15.772 -14.945 -8.358 563 HE ARG 72 HE ARG 72 17.826 -13.302 -9.395 564 HH11 ARG 72 HH11 ARG 72 16.324 -16.418 -9.859 565 HH12 ARG 72 HH12 ARG 72 17.749 -17.146 -10.521 566 HH21 ARG 72 HH21 ARG 72 19.701 -14.257 -10.266 567 HH22 ARG 72 HH22 ARG 72 19.667 -15.919 -10.751 568 H LYS 73 HN LYS 73 11.356 -12.757 -12.904 569 HA LYS 73 HA LYS 73 11.483 -12.881 -15.184 570 HB2 LYS 73 HB2 LYS 73 13.762 -12.199 -16.054 571 HB3 LYS 73 HB1 LYS 73 13.022 -11.111 -14.890 572 HG2 LYS 73 HG2 LYS 73 14.437 -11.968 -13.131 573 HG3 LYS 73 HG1 LYS 73 15.124 -13.165 -14.231 574 HD2 LYS 73 HD2 LYS 73 15.276 -10.368 -15.142 575 HD3 LYS 73 HD1 LYS 73 16.242 -10.756 -13.717 576 HE2 LYS 73 HE2 LYS 73 16.836 -12.866 -15.282 577 HE3 LYS 73 HE1 LYS 73 16.539 -11.642 -16.516 578 HZ1 LYS 73 HZ1 LYS 73 18.364 -11.204 -14.223 579 HZ2 LYS 73 HZ2 LYS 73 18.221 -10.270 -15.626 580 HZ3 LYS 73 HZ3 LYS 73 18.888 -11.822 -15.708 581 H ASP 74 HN ASP 74 10.964 -14.998 -15.666 582 HA ASP 74 HA ASP 74 13.045 -17.021 -15.694 583 HB2 ASP 74 HB2 ASP 74 10.122 -17.150 -16.463 584 HB3 ASP 74 HB1 ASP 74 11.215 -18.530 -16.444 585 H ASN 75 HN ASN 75 14.430 -17.017 -17.335 586 HA ASN 75 HA ASN 75 15.307 -16.905 -19.431 587 HB2 ASN 75 HB2 ASN 75 13.711 -18.850 -19.645 588 HB3 ASN 75 HB1 ASN 75 12.556 -17.731 -20.365 589 HD21 ASN 75 HD21 ASN 75 13.099 -19.719 -21.915 590 HD22 ASN 75 HD22 ASN 75 14.215 -19.315 -23.171 591 H GLU 76 HN GLU 76 13.907 -14.519 -18.330 592 HA GLU 76 HA GLU 76 13.296 -12.421 -18.966 593 HB2 GLU 76 HB2 GLU 76 14.626 -13.073 -21.594 594 HB3 GLU 76 HB1 GLU 76 14.433 -11.491 -20.852 595 HG2 GLU 76 HG2 GLU 76 16.082 -11.892 -19.269 596 HG3 GLU 76 HG1 GLU 76 16.000 -13.640 -19.486 597 H GLY 77 HN GLY 77 11.535 -14.747 -19.681 598 HA2 GLY 77 HA2 GLY 77 10.180 -13.735 -22.071 599 HA3 GLY 77 HA1 GLY 77 9.853 -15.262 -21.265 600 H ASN 78 HN ASN 78 9.885 -13.683 -18.642 601 HA ASN 78 HA ASN 78 7.632 -11.945 -18.782 602 HB2 ASN 78 HB2 ASN 78 7.279 -14.786 -17.904 603 HB3 ASN 78 HB1 ASN 78 6.329 -13.520 -17.134 604 HD21 ASN 78 HD21 ASN 78 6.756 -15.464 -19.908 605 HD22 ASN 78 HD22 ASN 78 5.419 -14.859 -20.819 606 H GLU 79 HN GLU 79 8.167 -10.437 -17.361 607 HA GLU 79 HA GLU 79 10.109 -10.664 -15.390 608 HB2 GLU 79 HB2 GLU 79 7.941 -8.719 -15.989 609 HB3 GLU 79 HB1 GLU 79 8.691 -8.626 -14.401 610 HG2 GLU 79 HG2 GLU 79 10.502 -8.785 -16.733 611 HG3 GLU 79 HG1 GLU 79 9.596 -7.288 -16.514 612 H VAL 80 HN VAL 80 9.790 -12.505 -14.133 613 HA VAL 80 HA VAL 80 9.105 -13.666 -12.298 614 HB VAL 80 HB VAL 80 7.458 -11.263 -11.522 615 HG11 VAL 80 HG11 VAL 80 8.315 -12.145 -9.220 616 HG12 VAL 80 HG12 VAL 80 8.555 -13.650 -10.108 617 HG13 VAL 80 HG13 VAL 80 6.949 -12.927 -10.015 618 HG21 VAL 80 HG21 VAL 80 10.336 -11.690 -10.762 619 HG22 VAL 80 HG22 VAL 80 9.340 -10.253 -10.524 620 HG23 VAL 80 HG23 VAL 80 9.858 -10.709 -12.148 621 H VAL 81 HN VAL 81 7.615 -15.228 -12.101 622 HA VAL 81 HA VAL 81 5.190 -15.011 -13.683 623 HB VAL 81 HB VAL 81 5.886 -17.434 -12.061 624 HG11 VAL 81 HG11 VAL 81 4.192 -16.762 -14.383 625 HG12 VAL 81 HG12 VAL 81 3.931 -17.924 -13.083 626 HG13 VAL 81 HG13 VAL 81 5.002 -18.328 -14.425 627 HG21 VAL 81 HG21 VAL 81 7.209 -18.250 -14.008 628 HG22 VAL 81 HG22 VAL 81 7.967 -16.915 -13.139 629 HG23 VAL 81 HG23 VAL 81 7.150 -16.618 -14.674 630 HA PRO 82 HA PRO 82 3.362 -15.956 -9.250 631 HB2 PRO 82 HB2 PRO 82 5.471 -14.818 -7.521 632 HB3 PRO 82 HB1 PRO 82 4.559 -16.320 -7.341 633 HG2 PRO 82 HG2 PRO 82 7.136 -16.345 -8.049 634 HG3 PRO 82 HG1 PRO 82 5.981 -17.505 -8.732 635 HD2 PRO 82 HD2 PRO 82 7.097 -15.004 -9.946 636 HD3 PRO 82 HD1 PRO 82 6.832 -16.593 -10.692 637 H LYS 83 HN LYS 83 3.427 -14.165 -7.084 638 HA LYS 83 HA LYS 83 3.223 -11.509 -8.303 639 HB2 LYS 83 HB2 LYS 83 1.030 -11.131 -7.280 640 HB3 LYS 83 HB1 LYS 83 0.978 -12.472 -8.417 641 HG2 LYS 83 HG2 LYS 83 1.488 -13.812 -6.143 642 HG3 LYS 83 HG1 LYS 83 0.583 -12.441 -5.500 643 HD2 LYS 83 HD2 LYS 83 -1.218 -13.693 -6.006 644 HD3 LYS 83 HD1 LYS 83 -0.938 -13.104 -7.646 645 HE2 LYS 83 HE2 LYS 83 0.566 -15.511 -6.804 646 HE3 LYS 83 HE1 LYS 83 -1.169 -15.700 -7.051 647 HZ1 LYS 83 HZ1 LYS 83 0.280 -14.271 -9.129 648 HZ2 LYS 83 HZ2 LYS 83 -0.978 -15.393 -9.263 649 HZ3 LYS 83 HZ3 LYS 83 0.606 -15.927 -9.002 650 HA PRO 84 HA PRO 84 5.134 -10.330 -4.487 651 HB2 PRO 84 HB2 PRO 84 4.730 -7.669 -4.561 652 HB3 PRO 84 HB1 PRO 84 5.851 -8.477 -5.663 653 HG2 PRO 84 HG2 PRO 84 3.044 -7.558 -6.154 654 HG3 PRO 84 HG1 PRO 84 4.469 -7.411 -7.200 655 HD2 PRO 84 HD2 PRO 84 2.564 -9.339 -7.519 656 HD3 PRO 84 HD1 PRO 84 4.261 -9.556 -7.991 657 H GLN 85 HN GLN 85 4.500 -8.421 -2.729 658 HA GLN 85 HA GLN 85 2.005 -9.404 -1.587 659 HB2 GLN 85 HB2 GLN 85 4.276 -7.768 -0.463 660 HB3 GLN 85 HB1 GLN 85 2.794 -8.077 0.431 661 HG2 GLN 85 HG2 GLN 85 3.237 -10.521 0.153 662 HG3 GLN 85 HG1 GLN 85 4.808 -10.094 -0.524 663 HE21 GLN 85 HE21 GLN 85 3.480 -11.226 2.140 664 HE22 GLN 85 HE22 GLN 85 4.507 -10.540 3.349 665 H ARG 86 HN ARG 86 0.402 -7.972 -0.727 666 HA ARG 86 HA ARG 86 0.461 -5.211 -1.675 667 HB2 ARG 86 HB2 ARG 86 -1.874 -7.033 -2.272 668 HB3 ARG 86 HB1 ARG 86 -1.684 -5.356 -2.765 669 HG2 ARG 86 HG2 ARG 86 0.121 -5.943 -4.243 670 HG3 ARG 86 HG1 ARG 86 0.090 -7.613 -3.672 671 HD2 ARG 86 HD2 ARG 86 -2.282 -7.739 -4.491 672 HD3 ARG 86 HD1 ARG 86 -2.032 -6.164 -5.244 673 HE ARG 86 HE ARG 86 0.017 -7.647 -6.208 674 HH11 ARG 86 HH11 ARG 86 -3.438 -8.130 -6.090 675 HH12 ARG 86 HH12 ARG 86 -3.481 -9.072 -7.543 676 HH21 ARG 86 HH21 ARG 86 -0.039 -8.885 -8.118 677 HH22 ARG 86 HH22 ARG 86 -1.552 -9.501 -8.694 678 H HIS 87 HN HIS 87 -0.172 -3.909 -0.095 679 HA HIS 87 HA HIS 87 -1.939 -4.997 1.998 680 HB2 HIS 87 HB2 HIS 87 0.328 -3.018 2.153 681 HB3 HIS 87 HB1 HIS 87 -0.882 -3.145 3.426 682 HD1 HIS 87 HD1 HIS 87 -1.167 -5.950 4.083 683 HD2 HIS 87 HD2 HIS 87 2.503 -4.438 2.852 684 HE1 HIS 87 HE1 HIS 87 0.550 -7.581 4.930 685 HE2 HIS 87 HE2 HIS 87 2.756 -6.690 4.098 686 H MET 88 HN MET 88 -3.922 -4.193 1.943 687 HA MET 88 HA MET 88 -4.359 -1.553 0.742 688 HB2 MET 88 HB2 MET 88 -6.688 -2.216 0.502 689 HB3 MET 88 HB1 MET 88 -5.634 -3.431 -0.209 690 HG2 MET 88 HG2 MET 88 -7.096 -4.764 0.912 691 HG3 MET 88 HG1 MET 88 -5.858 -4.552 2.149 692 HE1 MET 88 HE1 MET 88 -9.205 -3.377 0.730 693 HE2 MET 88 HE2 MET 88 -8.614 -1.761 1.120 694 HE3 MET 88 HE3 MET 88 -9.951 -2.457 2.037 695 H PHE 89 HN PHE 89 -5.632 0.018 1.773 696 HA PHE 89 HA PHE 89 -6.145 -0.420 4.635 697 HB2 PHE 89 HB2 PHE 89 -4.708 1.904 3.356 698 HB3 PHE 89 HB1 PHE 89 -5.422 2.005 4.963 699 HD1 PHE 89 HD1 PHE 89 -2.899 0.224 2.930 700 HD2 PHE 89 HD2 PHE 89 -4.316 1.129 6.840 701 HE1 PHE 89 HE1 PHE 89 -0.856 -0.752 3.892 702 HE2 PHE 89 HE2 PHE 89 -2.275 0.155 7.809 703 HZ PHE 89 HZ PHE 89 -0.541 -0.786 6.335 704 H SER 90 HN SER 90 -7.791 0.921 5.550 705 HA SER 90 HA SER 90 -9.757 1.779 3.548 706 HB2 SER 90 HB2 SER 90 -9.928 0.561 6.233 707 HB3 SER 90 HB1 SER 90 -11.126 1.812 5.899 708 HG SER 90 HG SER 90 -12.102 0.495 4.590 709 H PHE 91 HN PHE 91 -10.285 3.854 3.310 710 HA PHE 91 HA PHE 91 -9.522 5.749 5.431 711 HB2 PHE 91 HB2 PHE 91 -9.043 5.923 2.469 712 HB3 PHE 91 HB1 PHE 91 -9.158 7.381 3.449 713 HD1 PHE 91 HD1 PHE 91 -7.437 4.068 3.584 714 HD2 PHE 91 HD2 PHE 91 -7.182 8.275 4.173 715 HE1 PHE 91 HE1 PHE 91 -5.067 3.835 4.200 716 HE2 PHE 91 HE2 PHE 91 -4.811 8.049 4.789 717 HZ PHE 91 HZ PHE 91 -3.750 5.827 4.803 718 H ASN 92 HN ASN 92 -10.649 7.929 5.074 719 HA ASN 92 HA ASN 92 -13.310 7.629 3.898 720 HB2 ASN 92 HB2 ASN 92 -12.831 8.512 6.752 721 HB3 ASN 92 HB1 ASN 92 -14.386 8.529 5.926 722 HD21 ASN 92 HD21 ASN 92 -13.188 7.042 8.297 723 HD22 ASN 92 HD22 ASN 92 -13.622 5.395 8.007 724 H ASN 93 HN ASN 93 -10.938 9.136 3.152 725 HA ASN 93 HA ASN 93 -12.167 11.630 2.598 726 HB2 ASN 93 HB2 ASN 93 -10.312 11.467 4.909 727 HB3 ASN 93 HB1 ASN 93 -10.087 12.828 3.814 728 HD21 ASN 93 HD21 ASN 93 -12.022 14.124 3.342 729 HD22 ASN 93 HD22 ASN 93 -13.176 14.362 4.606 730 H ARG 94 HN ARG 94 -11.432 12.192 0.665 731 HA ARG 94 HA ARG 94 -9.268 10.878 -0.583 732 HB2 ARG 94 HB2 ARG 94 -11.387 12.253 -1.505 733 HB3 ARG 94 HB1 ARG 94 -10.152 13.494 -1.666 734 HG2 ARG 94 HG2 ARG 94 -8.856 11.429 -2.781 735 HG3 ARG 94 HG1 ARG 94 -10.520 10.979 -3.157 736 HD2 ARG 94 HD2 ARG 94 -10.797 12.694 -4.601 737 HD3 ARG 94 HD1 ARG 94 -9.819 13.800 -3.637 738 HE ARG 94 HE ARG 94 -8.284 11.747 -4.929 739 HH11 ARG 94 HH11 ARG 94 -9.721 14.903 -5.317 740 HH12 ARG 94 HH12 ARG 94 -8.628 15.385 -6.570 741 HH21 ARG 94 HH21 ARG 94 -6.844 12.379 -6.577 742 HH22 ARG 94 HH22 ARG 94 -6.994 13.952 -7.286 743 H THR 95 HN THR 95 -9.572 14.009 1.000 744 HA THR 95 HA THR 95 -7.117 15.107 0.201 745 HB THR 95 HB THR 95 -8.491 15.589 2.846 746 HG1 THR 95 HG1 THR 95 -10.091 16.240 1.670 747 HG21 THR 95 HG21 THR 95 -7.700 17.953 2.357 748 HG22 THR 95 HG22 THR 95 -6.624 17.220 1.167 749 HG23 THR 95 HG23 THR 95 -6.486 16.781 2.869 750 H VAL 96 HN VAL 96 -7.949 12.849 2.743 751 HA VAL 96 HA VAL 96 -5.434 12.998 4.095 752 HB VAL 96 HB VAL 96 -7.444 10.746 4.200 753 HG11 VAL 96 HG11 VAL 96 -6.427 10.075 6.190 754 HG12 VAL 96 HG12 VAL 96 -5.583 11.611 6.387 755 HG13 VAL 96 HG13 VAL 96 -5.068 10.476 5.139 756 HG21 VAL 96 HG21 VAL 96 -7.314 13.032 6.138 757 HG22 VAL 96 HG22 VAL 96 -8.608 11.859 5.893 758 HG23 VAL 96 HG23 VAL 96 -8.312 13.111 4.686 759 H MET 97 HN MET 97 -6.904 10.601 1.905 760 HA MET 97 HA MET 97 -4.707 8.868 1.783 761 HB2 MET 97 HB2 MET 97 -6.971 8.279 1.000 762 HB3 MET 97 HB1 MET 97 -6.791 9.398 -0.344 763 HG2 MET 97 HG2 MET 97 -4.676 7.373 -0.091 764 HG3 MET 97 HG1 MET 97 -6.281 6.759 -0.484 765 HE1 MET 97 HE1 MET 97 -7.764 8.262 -2.440 766 HE2 MET 97 HE2 MET 97 -7.185 6.632 -2.781 767 HE3 MET 97 HE3 MET 97 -6.997 7.904 -3.987 768 H ASP 98 HN ASP 98 -5.433 11.823 0.054 769 HA ASP 98 HA ASP 98 -3.544 11.570 -2.017 770 HB2 ASP 98 HB2 ASP 98 -5.388 13.243 -1.975 771 HB3 ASP 98 HB1 ASP 98 -4.522 14.121 -0.717 772 H ASN 99 HN ASN 99 -3.295 12.773 1.280 773 HA ASN 99 HA ASN 99 -0.651 13.809 0.993 774 HB2 ASN 99 HB2 ASN 99 -2.461 13.235 3.314 775 HB3 ASN 99 HB1 ASN 99 -0.762 13.601 3.601 776 HD21 ASN 99 HD21 ASN 99 -3.834 14.830 2.652 777 HD22 ASN 99 HD22 ASN 99 -3.389 16.498 2.587 778 H ILE 100 HN ILE 100 -2.016 10.758 2.129 779 HA ILE 100 HA ILE 100 0.445 9.653 3.026 780 HB ILE 100 HB ILE 100 -2.015 8.147 2.133 781 HG12 ILE 100 HG12 ILE 100 -2.543 9.873 3.833 782 HG13 ILE 100 HG11 ILE 100 -2.759 8.237 4.446 783 HG21 ILE 100 HG21 ILE 100 -0.989 6.677 4.112 784 HG22 ILE 100 HG22 ILE 100 0.496 7.414 3.513 785 HG23 ILE 100 HG23 ILE 100 -0.520 6.469 2.425 786 HD11 ILE 100 HD11 ILE 100 -1.620 9.970 5.946 787 HD12 ILE 100 HD12 ILE 100 -0.212 9.733 4.910 788 HD13 ILE 100 HD13 ILE 100 -0.884 8.373 5.809 789 H LYS 101 HN LYS 101 -1.503 9.023 0.103 790 HA LYS 101 HA LYS 101 0.294 7.294 -1.144 791 HB2 LYS 101 HB2 LYS 101 -2.031 7.587 -1.875 792 HB3 LYS 101 HB1 LYS 101 -1.658 9.214 -2.427 793 HG2 LYS 101 HG2 LYS 101 0.188 7.839 -3.805 794 HG3 LYS 101 HG1 LYS 101 -1.070 6.608 -3.669 795 HD2 LYS 101 HD2 LYS 101 -1.955 9.322 -4.438 796 HD3 LYS 101 HD1 LYS 101 -1.005 8.436 -5.632 797 HE2 LYS 101 HE2 LYS 101 -2.601 6.499 -5.240 798 HE3 LYS 101 HE1 LYS 101 -3.618 7.647 -4.371 799 HZ1 LYS 101 HZ1 LYS 101 -4.489 7.837 -6.446 800 HZ2 LYS 101 HZ2 LYS 101 -3.036 7.472 -7.232 801 HZ3 LYS 101 HZ3 LYS 101 -3.278 9.012 -6.576 802 H MET 102 HN MET 102 -0.073 10.813 -1.516 803 HA MET 102 HA MET 102 1.953 11.184 -3.409 804 HB2 MET 102 HB2 MET 102 0.283 12.900 -2.848 805 HB3 MET 102 HB1 MET 102 1.016 13.096 -1.262 806 HG2 MET 102 HG2 MET 102 2.736 14.317 -2.053 807 HG3 MET 102 HG1 MET 102 2.814 13.428 -3.573 808 HE1 MET 102 HE1 MET 102 0.687 16.279 -1.630 809 HE2 MET 102 HE2 MET 102 -0.335 14.885 -1.982 810 HE3 MET 102 HE3 MET 102 -0.605 16.411 -2.825 811 H THR 103 HN THR 103 2.083 11.493 0.136 812 HA THR 103 HA THR 103 4.824 12.094 0.293 813 HB THR 103 HB THR 103 3.041 10.752 2.335 814 HG1 THR 103 HG1 THR 103 3.761 13.480 2.077 815 HG21 THR 103 HG21 THR 103 5.527 10.599 2.769 816 HG22 THR 103 HG22 THR 103 4.549 11.369 4.019 817 HG23 THR 103 HG23 THR 103 5.506 12.357 2.914 818 H LEU 104 HN LEU 104 3.079 9.020 0.388 819 HA LEU 104 HA LEU 104 5.227 7.353 1.037 820 HB2 LEU 104 HB2 LEU 104 2.551 7.032 -0.137 821 HB3 LEU 104 HB1 LEU 104 3.694 5.781 -0.589 822 HG LEU 104 HG LEU 104 3.578 6.417 2.294 823 HD11 LEU 104 HD11 LEU 104 1.379 4.745 1.140 824 HD12 LEU 104 HD12 LEU 104 1.176 6.481 1.370 825 HD13 LEU 104 HD13 LEU 104 1.520 5.443 2.754 826 HD21 LEU 104 HD21 LEU 104 3.330 3.743 2.034 827 HD22 LEU 104 HD22 LEU 104 4.875 4.593 2.036 828 HD23 LEU 104 HD23 LEU 104 4.120 4.140 0.508 829 H GLN 105 HN GLN 105 4.100 8.558 -2.086 830 HA GLN 105 HA GLN 105 5.772 7.015 -3.727 831 HB2 GLN 105 HB2 GLN 105 4.225 9.529 -4.024 832 HB3 GLN 105 HB1 GLN 105 5.510 9.257 -5.193 833 HG2 GLN 105 HG2 GLN 105 4.471 6.978 -5.585 834 HG3 GLN 105 HG1 GLN 105 3.085 7.571 -4.670 835 HE21 GLN 105 HE21 GLN 105 3.272 6.757 -7.464 836 HE22 GLN 105 HE22 GLN 105 2.755 8.117 -8.396 837 H GLN 106 HN GLN 106 6.361 9.923 -1.886 838 HA GLN 106 HA GLN 106 8.815 10.616 -3.164 839 HB2 GLN 106 HB2 GLN 106 7.781 11.378 -0.426 840 HB3 GLN 106 HB1 GLN 106 9.127 12.141 -1.261 841 HG2 GLN 106 HG2 GLN 106 7.146 12.363 -3.110 842 HG3 GLN 106 HG1 GLN 106 6.245 12.505 -1.601 843 HE21 GLN 106 HE21 GLN 106 8.433 14.005 -3.764 844 HE22 GLN 106 HE22 GLN 106 8.591 15.505 -2.923 845 H ILE 107 HN ILE 107 7.918 8.536 -0.506 846 HA ILE 107 HA ILE 107 10.561 8.226 0.537 847 HB ILE 107 HB ILE 107 8.234 6.340 0.901 848 HG12 ILE 107 HG12 ILE 107 8.976 8.771 2.547 849 HG13 ILE 107 HG11 ILE 107 7.594 8.663 1.461 850 HG21 ILE 107 HG21 ILE 107 10.378 5.447 1.615 851 HG22 ILE 107 HG22 ILE 107 9.357 5.793 3.012 852 HG23 ILE 107 HG23 ILE 107 10.673 6.888 2.588 853 HD11 ILE 107 HD11 ILE 107 6.358 7.606 2.978 854 HD12 ILE 107 HD12 ILE 107 7.576 8.128 4.142 855 HD13 ILE 107 HD13 ILE 107 7.673 6.519 3.425 856 H ILE 108 HN ILE 108 8.590 6.526 -1.821 857 HA ILE 108 HA ILE 108 10.388 4.302 -2.075 858 HB ILE 108 HB ILE 108 8.253 5.153 -4.030 859 HG12 ILE 108 HG12 ILE 108 7.919 3.175 -1.775 860 HG13 ILE 108 HG11 ILE 108 7.481 4.873 -1.613 861 HG21 ILE 108 HG21 ILE 108 9.290 3.495 -5.162 862 HG22 ILE 108 HG22 ILE 108 8.300 2.472 -4.121 863 HG23 ILE 108 HG23 ILE 108 9.985 2.786 -3.704 864 HD11 ILE 108 HD11 ILE 108 6.304 2.860 -3.509 865 HD12 ILE 108 HD12 ILE 108 5.950 4.587 -3.552 866 HD13 ILE 108 HD13 ILE 108 5.518 3.633 -2.133 867 H SER 109 HN SER 109 9.752 7.270 -3.893 868 HA SER 109 HA SER 109 11.522 6.699 -6.031 869 HB2 SER 109 HB2 SER 109 11.417 9.274 -6.309 870 HB3 SER 109 HB1 SER 109 9.928 8.350 -6.511 871 HG SER 109 HG SER 109 10.690 9.515 -4.045 872 H ARG 110 HN ARG 110 11.939 8.127 -2.870 873 HA ARG 110 HA ARG 110 14.518 9.237 -3.355 874 HB2 ARG 110 HB2 ARG 110 12.821 8.727 -0.960 875 HB3 ARG 110 HB1 ARG 110 14.541 8.985 -0.703 876 HG2 ARG 110 HG2 ARG 110 14.069 11.064 -2.288 877 HG3 ARG 110 HG1 ARG 110 12.450 10.872 -1.611 878 HD2 ARG 110 HD2 ARG 110 13.937 10.661 0.628 879 HD3 ARG 110 HD1 ARG 110 14.960 11.736 -0.325 880 HE ARG 110 HE ARG 110 12.543 12.422 0.971 881 HH11 ARG 110 HH11 ARG 110 14.335 13.024 -1.962 882 HH12 ARG 110 HH12 ARG 110 13.650 14.596 -2.206 883 HH21 ARG 110 HH21 ARG 110 11.641 14.489 0.652 884 HH22 ARG 110 HH22 ARG 110 12.121 15.428 -0.722 885 H TYR 111 HN TYR 111 13.338 6.114 -2.316 886 HA TYR 111 HA TYR 111 16.028 5.181 -1.698 887 HB2 TYR 111 HB2 TYR 111 13.337 3.816 -1.532 888 HB3 TYR 111 HB1 TYR 111 14.862 3.056 -1.088 889 HD1 TYR 111 HD2 TYR 111 16.216 5.277 0.320 890 HD2 TYR 111 HD1 TYR 111 12.167 3.977 0.480 891 HE1 TYR 111 HE2 TYR 111 16.015 6.199 2.591 892 HE2 TYR 111 HE1 TYR 111 11.956 4.897 2.751 893 HH TYR 111 HH TYR 111 14.667 5.954 4.567 894 H LYS 112 HN LYS 112 14.682 5.776 -4.491 895 HA LYS 112 HA LYS 112 15.163 3.198 -5.773 896 HB2 LYS 112 HB2 LYS 112 13.848 5.752 -6.594 897 HB3 LYS 112 HB1 LYS 112 14.476 4.686 -7.843 898 HG2 LYS 112 HG2 LYS 112 12.645 3.659 -5.708 899 HG3 LYS 112 HG1 LYS 112 12.020 4.449 -7.156 900 HD2 LYS 112 HD2 LYS 112 12.573 2.714 -8.502 901 HD3 LYS 112 HD1 LYS 112 14.041 2.343 -7.596 902 HE2 LYS 112 HE2 LYS 112 11.234 1.713 -6.691 903 HE3 LYS 112 HE1 LYS 112 12.337 0.561 -7.442 904 HZ1 LYS 112 HZ1 LYS 112 13.901 1.150 -5.547 905 HZ2 LYS 112 HZ2 LYS 112 12.553 0.203 -5.163 906 HZ3 LYS 112 HZ3 LYS 112 12.559 1.853 -4.793 907 H ASP 113 HN ASP 113 16.492 6.438 -5.576 908 HA ASP 113 HA ASP 113 18.765 5.546 -7.229 909 HB2 ASP 113 HB2 ASP 113 17.161 7.530 -7.966 910 HB3 ASP 113 HB1 ASP 113 18.197 8.451 -6.880 911 H ALA 114 HN ALA 114 18.047 5.761 -4.164 912 HA ALA 114 HA ALA 114 20.748 6.510 -3.396 913 HB1 ALA 114 HB1 ALA 114 18.333 8.069 -2.664 914 HB2 ALA 114 HB2 ALA 114 19.989 8.606 -2.941 915 HB3 ALA 114 HB3 ALA 114 19.559 7.824 -1.420 916 H ASP 115 HN ASP 115 19.389 4.011 -3.490 917 HA ASP 115 HA ASP 115 18.414 3.262 -0.930 918 HB2 ASP 115 HB2 ASP 115 17.977 2.057 -3.113 919 HB3 ASP 115 HB1 ASP 115 19.615 1.420 -3.001 920 H1 ASP 453 HN ASP 453 -11.778 -16.111 1.197 921 HA ASP 453 HA ASP 453 -11.015 -14.969 -0.615 922 HB2 ASP 453 HB2 ASP 453 -12.792 -17.016 -1.912 923 HB3 ASP 453 HB1 ASP 453 -11.986 -15.786 -2.881 924 H LEU 454 HN LEU 454 -11.941 -13.011 0.115 925 HA LEU 454 HA LEU 454 -14.393 -12.213 -1.310 926 HB2 LEU 454 HB2 LEU 454 -13.334 -11.548 1.396 927 HB3 LEU 454 HB1 LEU 454 -14.289 -10.343 0.554 928 HG LEU 454 HG LEU 454 -15.616 -11.725 2.123 929 HD11 LEU 454 HD11 LEU 454 -16.583 -12.419 -0.607 930 HD12 LEU 454 HD12 LEU 454 -16.415 -10.721 -0.161 931 HD13 LEU 454 HD13 LEU 454 -17.470 -11.780 0.777 932 HD21 LEU 454 HD21 LEU 454 -15.786 -13.987 2.007 933 HD22 LEU 454 HD22 LEU 454 -14.153 -13.813 1.366 934 HD23 LEU 454 HD23 LEU 454 -15.513 -14.031 0.265 935 H ASP 455 HN ASP 455 -11.288 -12.036 -1.838 936 HA ASP 455 HA ASP 455 -11.035 -9.162 -2.227 937 HB2 ASP 455 HB2 ASP 455 -9.162 -11.490 -2.370 938 HB3 ASP 455 HB1 ASP 455 -8.745 -10.004 -3.219 939 H GLU 456 HN GLU 456 -12.686 -11.329 -3.865 940 HA GLU 456 HA GLU 456 -11.705 -11.308 -6.487 941 HB2 GLU 456 HB2 GLU 456 -14.376 -11.763 -5.238 942 HB3 GLU 456 HB1 GLU 456 -14.301 -11.530 -6.979 943 HG2 GLU 456 HG2 GLU 456 -14.158 -13.811 -6.804 944 HG3 GLU 456 HG1 GLU 456 -12.457 -13.353 -6.881 945 H SER 457 HN SER 457 -14.140 -9.205 -4.959 946 HA SER 457 HA SER 457 -14.110 -7.431 -7.258 947 HB2 SER 457 HB2 SER 457 -16.119 -8.131 -5.606 948 HB3 SER 457 HB1 SER 457 -15.580 -6.659 -4.798 949 HG SER 457 HG SER 457 -17.126 -6.132 -6.335 950 H TRP 458 HN TRP 458 -12.898 -7.560 -3.986 951 HA TRP 458 HA TRP 458 -12.284 -4.857 -3.602 952 HB2 TRP 458 HB2 TRP 458 -11.839 -7.291 -2.233 953 HB3 TRP 458 HB1 TRP 458 -10.267 -6.516 -2.402 954 HD1 TRP 458 HD1 TRP 458 -9.908 -5.629 0.007 955 HE1 TRP 458 HE1 TRP 458 -11.158 -3.970 1.526 956 HE3 TRP 458 HE3 TRP 458 -14.152 -5.016 -2.778 957 HZ2 TRP 458 HZ2 TRP 458 -13.618 -2.585 1.543 958 HZ3 TRP 458 HZ3 TRP 458 -15.905 -3.507 -1.939 959 HH2 TRP 458 HH2 TRP 458 -15.642 -2.318 0.177 960 H ASP 459 HN ASP 459 -10.655 -7.356 -5.414 961 HA ASP 459 HA ASP 459 -8.157 -6.053 -5.695 962 HB2 ASP 459 HB2 ASP 459 -8.828 -8.523 -6.190 963 HB3 ASP 459 HB1 ASP 459 -9.264 -7.907 -7.781 964 H TYR 460 HN TYR 460 -11.138 -5.998 -7.577 965 HA TYR 460 HA TYR 460 -10.197 -4.602 -9.812 966 HB2 TYR 460 HB2 TYR 460 -12.869 -5.018 -8.556 967 HB3 TYR 460 HB1 TYR 460 -12.719 -3.761 -9.779 968 HD1 TYR 460 HD1 TYR 460 -12.446 -7.381 -9.144 969 HD2 TYR 460 HD2 TYR 460 -12.441 -4.314 -12.093 970 HE1 TYR 460 HE1 TYR 460 -12.661 -9.082 -10.907 971 HE2 TYR 460 HE2 TYR 460 -12.657 -6.007 -13.863 972 HH TYR 460 HH TYR 460 -13.638 -8.495 -13.922 973 H ILE 461 HN ILE 461 -11.765 -3.362 -6.865 974 HA ILE 461 HA ILE 461 -11.618 -0.643 -7.530 975 HB ILE 461 HB ILE 461 -13.030 -1.482 -5.713 976 HG12 ILE 461 HG12 ILE 461 -10.958 0.522 -4.788 977 HG13 ILE 461 HG11 ILE 461 -12.399 0.889 -5.731 978 HG21 ILE 461 HG21 ILE 461 -10.392 -2.123 -4.440 979 HG22 ILE 461 HG22 ILE 461 -11.791 -3.170 -4.680 980 HG23 ILE 461 HG23 ILE 461 -11.850 -1.883 -3.476 981 HD11 ILE 461 HD11 ILE 461 -13.762 0.034 -3.825 982 HD12 ILE 461 HD12 ILE 461 -12.824 1.486 -3.473 983 HD13 ILE 461 HD13 ILE 461 -12.271 -0.085 -2.892 984 H PHE 462 HN PHE 462 -9.243 -2.830 -6.209 985 HA PHE 462 HA PHE 462 -7.385 -0.598 -5.776 986 HB2 PHE 462 HB2 PHE 462 -7.484 -3.417 -4.743 987 HB3 PHE 462 HB1 PHE 462 -5.982 -2.499 -4.707 988 HD1 PHE 462 HD2 PHE 462 -6.151 -0.124 -3.621 989 HD2 PHE 462 HD1 PHE 462 -8.921 -3.285 -2.953 990 HE1 PHE 462 HE2 PHE 462 -6.854 0.941 -1.517 991 HE2 PHE 462 HE1 PHE 462 -9.629 -2.226 -0.849 992 HZ PHE 462 HZ PHE 462 -8.595 -0.110 -0.128 993 H GLU 463 HN GLU 463 -8.218 -2.228 -8.338 994 HA GLU 463 HA GLU 463 -5.531 -3.025 -9.189 995 HB2 GLU 463 HB2 GLU 463 -8.279 -3.773 -9.975 996 HB3 GLU 463 HB1 GLU 463 -7.115 -3.674 -11.289 997 HG2 GLU 463 HG2 GLU 463 -6.143 -5.125 -8.947 998 HG3 GLU 463 HG1 GLU 463 -7.547 -5.857 -9.722 999 H THR 464 HN THR 464 -7.243 -0.259 -9.149 1000 HA THR 464 HA THR 464 -7.013 0.642 -11.839 1001 HB THR 464 HB THR 464 -7.226 2.284 -9.309 1002 HG1 THR 464 HG1 THR 464 -8.924 0.710 -9.639 1003 HG21 THR 464 HG21 THR 464 -7.666 4.109 -10.529 1004 HG22 THR 464 HG22 THR 464 -8.501 3.198 -11.788 1005 HG23 THR 464 HG23 THR 464 -6.739 3.263 -11.768 1006 H THR 465 HN THR 465 -5.319 1.462 -12.889 1007 HA THR 465 HA THR 465 -3.190 2.842 -11.557 1008 HB THR 465 HB THR 465 -2.521 0.534 -11.086 1009 HG1 THR 465 HG1 THR 465 -0.667 1.483 -11.350 1010 HG21 THR 465 HG21 THR 465 -1.676 -0.381 -13.608 1011 HG22 THR 465 HG22 THR 465 -3.385 0.032 -13.749 1012 HG23 THR 465 HG23 THR 465 -2.853 -1.111 -12.516 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 -1.812 15.158 11.140 2 H3 PRO 1 HT2 PRO 1 -3.327 15.747 11.397 3 HA PRO 1 HA PRO 1 -2.732 17.735 11.524 4 HB2 PRO 1 HB2 PRO 1 -0.138 17.829 12.650 5 HB3 PRO 1 HB1 PRO 1 -1.667 18.241 13.438 6 HG2 PRO 1 HG2 PRO 1 -0.127 15.700 13.505 7 HG3 PRO 1 HG1 PRO 1 -1.144 16.435 14.757 8 HD2 PRO 1 HD2 PRO 1 -2.001 14.315 13.387 9 HD3 PRO 1 HD1 PRO 1 -3.116 15.631 13.802 10 H SER 2 HN SER 2 0.183 15.721 11.085 11 HA SER 2 HA SER 2 0.434 16.613 8.348 12 HB2 SER 2 HB2 SER 2 1.565 18.401 9.702 13 HB3 SER 2 HB1 SER 2 2.698 17.177 10.274 14 HG SER 2 HG SER 2 2.368 18.223 7.680 15 H HIS 3 HN HIS 3 1.031 14.916 7.182 16 HA HIS 3 HA HIS 3 1.876 12.894 6.577 17 HB2 HIS 3 HB2 HIS 3 3.918 13.290 8.765 18 HB3 HIS 3 HB1 HIS 3 4.086 12.333 7.296 19 HD1 HIS 3 HD1 HIS 3 4.272 15.827 8.581 20 HD2 HIS 3 HD2 HIS 3 4.662 13.809 4.969 21 HE1 HIS 3 HE1 HIS 3 5.298 17.484 6.992 22 HE2 HIS 3 HE2 HIS 3 5.600 16.216 4.837 23 H SER 4 HN SER 4 -0.254 12.866 8.396 24 HA SER 4 HA SER 4 0.072 10.218 9.491 25 HB2 SER 4 HB2 SER 4 -0.573 10.806 11.779 26 HB3 SER 4 HB1 SER 4 0.922 11.629 11.332 27 HG SER 4 HG SER 4 -0.223 13.518 11.049 28 H GLY 5 HN GLY 5 -1.850 9.126 9.670 29 HA2 GLY 5 HA2 GLY 5 -4.387 10.409 9.796 30 HA3 GLY 5 HA1 GLY 5 -4.023 9.918 8.149 31 H ALA 6 HN ALA 6 -6.204 8.897 9.496 32 HA ALA 6 HA ALA 6 -5.782 6.496 10.870 33 HB1 ALA 6 HB1 ALA 6 -8.104 7.367 9.156 34 HB2 ALA 6 HB2 ALA 6 -7.936 7.556 10.901 35 HB3 ALA 6 HB3 ALA 6 -8.112 5.946 10.201 36 H ALA 7 HN ALA 7 -5.753 4.346 10.219 37 HA ALA 7 HA ALA 7 -5.798 3.665 7.410 38 HB1 ALA 7 HB1 ALA 7 -3.463 4.504 7.895 39 HB2 ALA 7 HB2 ALA 7 -3.577 2.885 7.206 40 HB3 ALA 7 HB3 ALA 7 -3.268 3.089 8.930 41 H ILE 8 HN ILE 8 -6.784 1.771 7.230 42 HA ILE 8 HA ILE 8 -6.743 -0.065 9.532 43 HB ILE 8 HB ILE 8 -8.774 -0.086 7.309 44 HG12 ILE 8 HG12 ILE 8 -10.242 1.012 9.151 45 HG13 ILE 8 HG11 ILE 8 -8.708 1.513 9.854 46 HG21 ILE 8 HG21 ILE 8 -8.335 -2.067 8.914 47 HG22 ILE 8 HG22 ILE 8 -9.996 -1.550 8.622 48 HG23 ILE 8 HG23 ILE 8 -9.171 -1.070 10.104 49 HD11 ILE 8 HD11 ILE 8 -9.139 2.086 6.985 50 HD12 ILE 8 HD12 ILE 8 -8.294 3.022 8.218 51 HD13 ILE 8 HD13 ILE 8 -10.056 3.029 8.160 52 H PHE 9 HN PHE 9 -5.846 -2.027 9.303 53 HA PHE 9 HA PHE 9 -4.983 -2.801 6.606 54 HB2 PHE 9 HB2 PHE 9 -3.326 -2.550 8.551 55 HB3 PHE 9 HB1 PHE 9 -4.023 -4.040 9.178 56 HD1 PHE 9 HD2 PHE 9 -3.202 -3.020 5.693 57 HD2 PHE 9 HD1 PHE 9 -2.425 -5.683 8.920 58 HE1 PHE 9 HE2 PHE 9 -1.697 -4.324 4.249 59 HE2 PHE 9 HE1 PHE 9 -0.917 -6.992 7.482 60 HZ PHE 9 HZ PHE 9 -0.553 -6.314 5.143 61 H GLU 10 HN GLU 10 -6.564 -3.940 5.705 62 HA GLU 10 HA GLU 10 -8.237 -5.469 5.400 63 HB2 GLU 10 HB2 GLU 10 -7.445 -7.757 5.628 64 HB3 GLU 10 HB1 GLU 10 -6.182 -6.720 4.980 65 HG2 GLU 10 HG2 GLU 10 -4.930 -6.808 6.918 66 HG3 GLU 10 HG1 GLU 10 -6.313 -7.260 7.912 67 H LYS 11 HN LYS 11 -8.294 -4.174 8.187 68 HA LYS 11 HA LYS 11 -10.562 -5.149 9.219 69 HB2 LYS 11 HB2 LYS 11 -8.434 -7.102 9.691 70 HB3 LYS 11 HB1 LYS 11 -9.268 -6.625 11.163 71 HG2 LYS 11 HG2 LYS 11 -11.281 -7.496 10.469 72 HG3 LYS 11 HG1 LYS 11 -10.858 -7.393 8.759 73 HD2 LYS 11 HD2 LYS 11 -8.970 -9.118 9.627 74 HD3 LYS 11 HD1 LYS 11 -10.287 -9.507 10.735 75 HE2 LYS 11 HE2 LYS 11 -11.571 -10.398 9.104 76 HE3 LYS 11 HE1 LYS 11 -11.041 -9.223 7.901 77 HZ1 LYS 11 HZ1 LYS 11 -10.326 -11.769 7.848 78 HZ2 LYS 11 HZ2 LYS 11 -9.055 -11.158 8.781 79 HZ3 LYS 11 HZ3 LYS 11 -9.346 -10.531 7.238 80 H VAL 12 HN VAL 12 -7.357 -4.928 10.784 81 HA VAL 12 HA VAL 12 -8.341 -3.442 12.987 82 HB VAL 12 HB VAL 12 -5.478 -3.671 12.057 83 HG11 VAL 12 HG11 VAL 12 -6.489 -2.043 13.995 84 HG12 VAL 12 HG12 VAL 12 -4.843 -2.675 13.966 85 HG13 VAL 12 HG13 VAL 12 -6.083 -3.489 14.919 86 HG21 VAL 12 HG21 VAL 12 -6.194 -5.885 12.308 87 HG22 VAL 12 HG22 VAL 12 -7.200 -5.495 13.703 88 HG23 VAL 12 HG23 VAL 12 -5.442 -5.492 13.854 89 H SER 13 HN SER 13 -8.547 -1.333 13.315 90 HA SER 13 HA SER 13 -7.664 0.485 11.175 91 HB2 SER 13 HB2 SER 13 -9.794 1.128 13.208 92 HB3 SER 13 HB1 SER 13 -9.514 1.879 11.637 93 HG SER 13 HG SER 13 -11.028 0.535 11.042 94 H GLY 14 HN GLY 14 -5.908 1.610 11.682 95 HA2 GLY 14 HA2 GLY 14 -5.695 2.702 14.410 96 HA3 GLY 14 HA1 GLY 14 -4.329 1.857 13.699 97 H ILE 15 HN ILE 15 -3.360 4.024 14.263 98 HA ILE 15 HA ILE 15 -3.869 5.997 12.138 99 HB ILE 15 HB ILE 15 -2.329 6.497 14.679 100 HG12 ILE 15 HG12 ILE 15 -4.577 5.834 15.320 101 HG13 ILE 15 HG11 ILE 15 -4.396 7.572 15.535 102 HG21 ILE 15 HG21 ILE 15 -3.639 8.345 12.689 103 HG22 ILE 15 HG22 ILE 15 -1.907 8.064 12.874 104 HG23 ILE 15 HG23 ILE 15 -2.817 8.847 14.167 105 HD11 ILE 15 HD11 ILE 15 -6.372 6.196 14.094 106 HD12 ILE 15 HD12 ILE 15 -5.382 7.053 12.911 107 HD13 ILE 15 HD13 ILE 15 -6.140 7.939 14.234 108 H ILE 16 HN ILE 16 -2.345 6.398 10.656 109 HA ILE 16 HA ILE 16 0.233 5.035 10.953 110 HB ILE 16 HB ILE 16 -1.404 4.822 8.888 111 HG12 ILE 16 HG12 ILE 16 1.376 5.145 7.964 112 HG13 ILE 16 HG11 ILE 16 1.177 4.130 9.389 113 HG21 ILE 16 HG21 ILE 16 -1.253 6.368 7.214 114 HG22 ILE 16 HG22 ILE 16 0.342 6.927 7.722 115 HG23 ILE 16 HG23 ILE 16 -1.095 7.426 8.617 116 HD11 ILE 16 HD11 ILE 16 0.782 2.479 7.959 117 HD12 ILE 16 HD12 ILE 16 0.545 3.592 6.611 118 HD13 ILE 16 HD13 ILE 16 -0.794 3.229 7.701 119 H ALA 17 HN ALA 17 2.197 6.106 10.467 120 HA ALA 17 HA ALA 17 2.101 9.025 10.277 121 HB1 ALA 17 HB1 ALA 17 2.387 7.937 12.717 122 HB2 ALA 17 HB2 ALA 17 3.122 9.468 12.242 123 HB3 ALA 17 HB3 ALA 17 4.075 7.985 12.208 124 H ILE 18 HN ILE 18 3.495 9.743 8.810 125 HA ILE 18 HA ILE 18 5.602 7.926 7.876 126 HB ILE 18 HB ILE 18 4.624 10.444 6.531 127 HG12 ILE 18 HG12 ILE 18 3.798 7.572 6.048 128 HG13 ILE 18 HG11 ILE 18 2.784 8.833 6.743 129 HG21 ILE 18 HG21 ILE 18 5.619 9.234 4.521 130 HG22 ILE 18 HG22 ILE 18 6.406 8.177 5.693 131 HG23 ILE 18 HG23 ILE 18 6.749 9.907 5.696 132 HD11 ILE 18 HD11 ILE 18 2.385 9.804 4.741 133 HD12 ILE 18 HD12 ILE 18 2.682 8.158 4.182 134 HD13 ILE 18 HD13 ILE 18 3.963 9.367 4.086 135 H ASN 19 HN ASN 19 7.716 8.406 8.046 136 HA ASN 19 HA ASN 19 8.415 10.922 9.391 137 HB2 ASN 19 HB2 ASN 19 9.618 8.184 9.369 138 HB3 ASN 19 HB1 ASN 19 10.662 9.568 9.680 139 HD21 ASN 19 HD21 ASN 19 10.913 10.043 11.728 140 HD22 ASN 19 HD22 ASN 19 9.780 9.741 12.996 141 H GLU 20 HN GLU 20 8.700 12.368 7.757 142 HA GLU 20 HA GLU 20 10.180 11.667 5.379 143 HB2 GLU 20 HB2 GLU 20 9.349 14.446 6.186 144 HB3 GLU 20 HB1 GLU 20 9.630 13.820 4.568 145 HG2 GLU 20 HG2 GLU 20 7.632 12.200 5.368 146 HG3 GLU 20 HG1 GLU 20 7.242 13.662 6.273 147 H ASP 21 HN ASP 21 10.860 13.051 8.465 148 HA ASP 21 HA ASP 21 13.048 14.663 7.974 149 HB2 ASP 21 HB2 ASP 21 12.195 12.965 10.273 150 HB3 ASP 21 HB1 ASP 21 13.827 13.626 10.293 151 H VAL 22 HN VAL 22 12.815 11.185 7.895 152 HA VAL 22 HA VAL 22 15.709 10.893 7.648 153 HB VAL 22 HB VAL 22 14.508 9.295 9.072 154 HG11 VAL 22 HG11 VAL 22 12.561 9.351 7.149 155 HG12 VAL 22 HG12 VAL 22 12.661 8.190 8.472 156 HG13 VAL 22 HG13 VAL 22 13.310 7.777 6.886 157 HG21 VAL 22 HG21 VAL 22 15.307 7.510 6.886 158 HG22 VAL 22 HG22 VAL 22 15.913 7.627 8.537 159 HG23 VAL 22 HG23 VAL 22 16.494 8.745 7.303 160 H SER 23 HN SER 23 16.723 10.047 5.821 161 HA SER 23 HA SER 23 15.784 10.883 3.346 162 HB2 SER 23 HB2 SER 23 18.007 9.148 4.272 163 HB3 SER 23 HB1 SER 23 17.563 9.029 2.570 164 HG SER 23 HG SER 23 18.947 10.957 3.823 165 HA PRO 24 HA PRO 24 14.666 6.331 2.123 166 HB2 PRO 24 HB2 PRO 24 14.526 4.540 4.207 167 HB3 PRO 24 HB1 PRO 24 15.925 4.732 3.147 168 HG2 PRO 24 HG2 PRO 24 15.445 5.855 5.875 169 HG3 PRO 24 HG1 PRO 24 16.929 5.166 5.192 170 HD2 PRO 24 HD2 PRO 24 16.581 7.820 5.407 171 HD3 PRO 24 HD1 PRO 24 17.445 7.104 4.031 172 H ALA 25 HN ALA 25 13.578 7.983 4.937 173 HA ALA 25 HA ALA 25 11.504 8.428 5.757 174 HB1 ALA 25 HB1 ALA 25 10.006 7.137 3.586 175 HB2 ALA 25 HB2 ALA 25 11.163 8.363 3.068 176 HB3 ALA 25 HB3 ALA 25 9.898 8.778 4.224 177 H GLU 26 HN GLU 26 9.711 7.433 6.835 178 HA GLU 26 HA GLU 26 9.590 4.518 6.772 179 HB2 GLU 26 HB2 GLU 26 10.408 6.159 9.150 180 HB3 GLU 26 HB1 GLU 26 9.606 4.609 9.364 181 HG2 GLU 26 HG2 GLU 26 11.419 3.636 7.881 182 HG3 GLU 26 HG1 GLU 26 12.264 5.169 8.094 183 H LEU 27 HN LEU 27 7.601 3.712 7.179 184 HA LEU 27 HA LEU 27 5.506 5.641 7.940 185 HB2 LEU 27 HB2 LEU 27 5.209 4.916 5.670 186 HB3 LEU 27 HB1 LEU 27 5.407 3.235 6.125 187 HG LEU 27 HG LEU 27 3.150 4.809 7.290 188 HD11 LEU 27 HD11 LEU 27 3.348 4.994 4.691 189 HD12 LEU 27 HD12 LEU 27 1.797 4.620 5.444 190 HD13 LEU 27 HD13 LEU 27 2.765 3.330 4.731 191 HD21 LEU 27 HD21 LEU 27 2.311 2.273 6.649 192 HD22 LEU 27 HD22 LEU 27 2.892 2.799 8.228 193 HD23 LEU 27 HD23 LEU 27 4.001 2.029 7.093 194 H THR 28 HN THR 28 5.029 5.331 10.025 195 HA THR 28 HA THR 28 4.991 2.600 11.092 196 HB THR 28 HB THR 28 4.712 5.125 12.708 197 HG1 THR 28 HG1 THR 28 6.690 5.570 12.239 198 HG21 THR 28 HG21 THR 28 6.225 2.803 13.692 199 HG22 THR 28 HG22 THR 28 4.481 2.590 13.538 200 HG23 THR 28 HG23 THR 28 5.126 3.892 14.538 201 H TRP 29 HN TRP 29 3.173 1.639 11.816 202 HA TRP 29 HA TRP 29 0.685 3.217 11.767 203 HB2 TRP 29 HB2 TRP 29 0.664 1.793 9.830 204 HB3 TRP 29 HB1 TRP 29 1.156 0.397 10.783 205 HD1 TRP 29 HD1 TRP 29 -1.888 2.786 10.488 206 HE1 TRP 29 HE1 TRP 29 -4.006 1.440 11.059 207 HE3 TRP 29 HE3 TRP 29 0.293 -1.659 11.761 208 HZ2 TRP 29 HZ2 TRP 29 -4.665 -1.163 11.935 209 HZ3 TRP 29 HZ3 TRP 29 -1.151 -3.526 12.455 210 HH2 TRP 29 HH2 TRP 29 -3.579 -3.281 12.540 211 H ARG 30 HN ARG 30 0.020 3.440 13.798 212 HA ARG 30 HA ARG 30 0.390 1.201 15.667 213 HB2 ARG 30 HB2 ARG 30 -0.041 4.149 16.159 214 HB3 ARG 30 HB1 ARG 30 -0.038 2.939 17.434 215 HG2 ARG 30 HG2 ARG 30 2.260 2.368 16.931 216 HG3 ARG 30 HG1 ARG 30 2.268 3.506 15.583 217 HD2 ARG 30 HD2 ARG 30 1.851 4.225 18.483 218 HD3 ARG 30 HD1 ARG 30 3.353 4.428 17.585 219 HE ARG 30 HE ARG 30 2.441 6.250 16.493 220 HH11 ARG 30 HH11 ARG 30 -0.004 4.669 18.425 221 HH12 ARG 30 HH12 ARG 30 -1.134 5.972 18.280 222 HH21 ARG 30 HH21 ARG 30 0.953 7.960 16.306 223 HH22 ARG 30 HH22 ARG 30 -0.592 7.838 17.078 224 H SER 31 HN SER 31 -1.316 0.279 16.698 225 HA SER 31 HA SER 31 -3.876 0.477 15.534 226 HB2 SER 31 HB2 SER 31 -4.432 -0.788 17.840 227 HB3 SER 31 HB1 SER 31 -3.646 -1.590 16.480 228 HG SER 31 HG SER 31 -2.490 -0.579 18.848 229 H THR 32 HN THR 32 -5.780 1.395 16.256 230 HA THR 32 HA THR 32 -5.613 3.861 17.572 231 HB THR 32 HB THR 32 -8.047 2.108 17.179 232 HG1 THR 32 HG1 THR 32 -8.126 2.866 15.206 233 HG21 THR 32 HG21 THR 32 -8.420 3.961 18.768 234 HG22 THR 32 HG22 THR 32 -9.365 4.102 17.285 235 HG23 THR 32 HG23 THR 32 -7.924 5.094 17.510 236 H ASP 33 HN ASP 33 -6.806 0.721 18.740 237 HA ASP 33 HA ASP 33 -6.089 1.484 21.454 238 HB2 ASP 33 HB2 ASP 33 -8.436 2.223 21.204 239 HB3 ASP 33 HB1 ASP 33 -8.892 0.583 20.752 240 H GLY 34 HN GLY 34 -4.493 -0.149 21.131 241 HA2 GLY 34 HA2 GLY 34 -5.278 -2.703 22.077 242 HA3 GLY 34 HA1 GLY 34 -4.958 -2.779 20.351 243 H ASP 35 HN ASP 35 -3.030 -3.660 20.031 244 HA ASP 35 HA ASP 35 -0.679 -2.428 21.130 245 HB2 ASP 35 HB2 ASP 35 -1.685 -5.020 22.184 246 HB3 ASP 35 HB1 ASP 35 0.046 -4.894 21.887 247 H LYS 36 HN LYS 36 -1.848 -2.976 18.522 248 HA LYS 36 HA LYS 36 0.226 -4.740 17.394 249 HB2 LYS 36 HB2 LYS 36 -2.433 -5.091 17.130 250 HB3 LYS 36 HB1 LYS 36 -2.138 -4.042 15.750 251 HG2 LYS 36 HG2 LYS 36 -1.895 -6.128 14.822 252 HG3 LYS 36 HG1 LYS 36 -0.225 -5.716 15.219 253 HD2 LYS 36 HD2 LYS 36 -1.024 -6.894 17.525 254 HD3 LYS 36 HD1 LYS 36 -1.986 -7.787 16.345 255 HE2 LYS 36 HE2 LYS 36 -0.069 -9.050 16.384 256 HE3 LYS 36 HE1 LYS 36 0.291 -7.941 15.061 257 HZ1 LYS 36 HZ1 LYS 36 1.078 -7.107 17.743 258 HZ2 LYS 36 HZ2 LYS 36 1.862 -6.872 16.264 259 HZ3 LYS 36 HZ3 LYS 36 1.965 -8.368 17.045 260 H VAL 37 HN VAL 37 1.791 -3.711 16.359 261 HA VAL 37 HA VAL 37 1.138 -1.361 14.741 262 HB VAL 37 HB VAL 37 1.926 -0.493 16.907 263 HG11 VAL 37 HG11 VAL 37 4.600 -1.729 16.316 264 HG12 VAL 37 HG12 VAL 37 3.403 -2.518 17.343 265 HG13 VAL 37 HG13 VAL 37 4.054 -0.943 17.797 266 HG21 VAL 37 HG21 VAL 37 2.473 1.097 15.402 267 HG22 VAL 37 HG22 VAL 37 3.333 -0.033 14.357 268 HG23 VAL 37 HG23 VAL 37 4.120 0.608 15.799 269 H HIS 38 HN HIS 38 2.276 -1.212 12.871 270 HA HIS 38 HA HIS 38 4.527 -3.065 12.483 271 HB2 HIS 38 HB2 HIS 38 2.419 -3.957 11.466 272 HB3 HIS 38 HB1 HIS 38 2.371 -2.533 10.431 273 HD1 HIS 38 HD1 HIS 38 4.646 -5.488 11.146 274 HD2 HIS 38 HD2 HIS 38 3.754 -2.799 8.106 275 HE1 HIS 38 HE1 HIS 38 5.954 -6.275 9.148 276 HE2 HIS 38 HE2 HIS 38 5.326 -4.686 7.296 277 H THR 39 HN THR 39 6.126 -2.397 11.027 278 HA THR 39 HA THR 39 5.918 0.390 10.099 279 HB THR 39 HB THR 39 8.529 -0.759 11.029 280 HG1 THR 39 HG1 THR 39 6.658 0.586 12.680 281 HG21 THR 39 HG21 THR 39 7.962 2.006 11.648 282 HG22 THR 39 HG22 THR 39 7.842 1.671 9.921 283 HG23 THR 39 HG23 THR 39 9.328 1.292 10.792 284 H VAL 40 HN VAL 40 6.487 0.736 8.037 285 HA VAL 40 HA VAL 40 8.157 -1.225 6.652 286 HB VAL 40 HB VAL 40 5.855 -1.942 6.220 287 HG11 VAL 40 HG11 VAL 40 5.427 0.738 4.914 288 HG12 VAL 40 HG12 VAL 40 4.836 0.316 6.521 289 HG13 VAL 40 HG13 VAL 40 4.252 -0.563 5.108 290 HG21 VAL 40 HG21 VAL 40 7.831 -1.632 4.386 291 HG22 VAL 40 HG22 VAL 40 6.501 -0.780 3.602 292 HG23 VAL 40 HG23 VAL 40 6.308 -2.466 4.081 293 H VAL 41 HN VAL 41 9.705 -0.200 5.578 294 HA VAL 41 HA VAL 41 9.881 2.587 5.367 295 HB VAL 41 HB VAL 41 11.340 0.587 3.636 296 HG11 VAL 41 HG11 VAL 41 12.091 2.497 2.725 297 HG12 VAL 41 HG12 VAL 41 13.078 2.604 4.182 298 HG13 VAL 41 HG13 VAL 41 11.549 3.478 4.087 299 HG21 VAL 41 HG21 VAL 41 13.089 1.178 5.602 300 HG22 VAL 41 HG22 VAL 41 12.029 -0.232 5.623 301 HG23 VAL 41 HG23 VAL 41 11.574 1.227 6.503 302 H LEU 42 HN LEU 42 9.038 3.996 3.979 303 HA LEU 42 HA LEU 42 7.219 3.214 1.968 304 HB2 LEU 42 HB2 LEU 42 8.552 5.850 2.563 305 HB3 LEU 42 HB1 LEU 42 7.351 5.654 1.301 306 HG LEU 42 HG LEU 42 6.867 5.104 4.229 307 HD11 LEU 42 HD11 LEU 42 5.486 7.162 4.120 308 HD12 LEU 42 HD12 LEU 42 6.148 7.475 2.516 309 HD13 LEU 42 HD13 LEU 42 7.213 7.457 3.921 310 HD21 LEU 42 HD21 LEU 42 5.495 4.176 2.005 311 HD22 LEU 42 HD22 LEU 42 4.561 5.573 2.539 312 HD23 LEU 42 HD23 LEU 42 4.890 4.252 3.659 313 H SER 43 HN SER 43 10.627 3.968 1.926 314 HA SER 43 HA SER 43 11.009 4.454 -0.790 315 HB2 SER 43 HB2 SER 43 12.655 4.382 1.346 316 HB3 SER 43 HB1 SER 43 13.092 2.852 0.585 317 HG SER 43 HG SER 43 13.989 5.181 -0.070 318 H THR 44 HN THR 44 10.429 1.477 0.915 319 HA THR 44 HA THR 44 11.356 -0.326 -1.045 320 HB THR 44 HB THR 44 10.101 -2.010 0.136 321 HG1 THR 44 HG1 THR 44 8.695 0.191 1.214 322 HG21 THR 44 HG21 THR 44 10.516 -0.951 2.627 323 HG22 THR 44 HG22 THR 44 11.668 -0.070 1.623 324 HG23 THR 44 HG23 THR 44 11.701 -1.833 1.665 325 H ILE 45 HN ILE 45 8.411 1.506 -0.723 326 HA ILE 45 HA ILE 45 6.713 0.055 -2.394 327 HB ILE 45 HB ILE 45 6.809 3.064 -2.148 328 HG12 ILE 45 HG12 ILE 45 6.707 2.090 0.070 329 HG13 ILE 45 HG11 ILE 45 5.125 2.743 -0.344 330 HG21 ILE 45 HG21 ILE 45 4.249 2.606 -2.455 331 HG22 ILE 45 HG22 ILE 45 4.818 1.120 -3.216 332 HG23 ILE 45 HG23 ILE 45 5.320 2.686 -3.854 333 HD11 ILE 45 HD11 ILE 45 4.929 0.600 0.772 334 HD12 ILE 45 HD12 ILE 45 5.927 -0.154 -0.471 335 HD13 ILE 45 HD13 ILE 45 4.342 0.498 -0.888 336 H ASP 46 HN ASP 46 6.136 0.338 -4.596 337 HA ASP 46 HA ASP 46 8.268 1.506 -6.263 338 HB2 ASP 46 HB2 ASP 46 8.233 -1.004 -6.255 339 HB3 ASP 46 HB1 ASP 46 6.619 -0.932 -6.957 340 H LYS 47 HN LYS 47 4.826 0.728 -6.019 341 HA LYS 47 HA LYS 47 4.288 2.916 -7.911 342 HB2 LYS 47 HB2 LYS 47 2.563 0.455 -7.771 343 HB3 LYS 47 HB1 LYS 47 2.600 1.694 -9.017 344 HG2 LYS 47 HG2 LYS 47 5.182 0.594 -8.932 345 HG3 LYS 47 HG1 LYS 47 4.057 -0.764 -8.855 346 HD2 LYS 47 HD2 LYS 47 3.466 1.363 -10.831 347 HD3 LYS 47 HD1 LYS 47 4.859 0.330 -11.160 348 HE2 LYS 47 HE2 LYS 47 3.492 -1.642 -11.057 349 HE3 LYS 47 HE1 LYS 47 2.099 -0.701 -10.523 350 HZ1 LYS 47 HZ1 LYS 47 2.593 0.543 -12.777 351 HZ2 LYS 47 HZ2 LYS 47 1.638 -0.852 -12.725 352 HZ3 LYS 47 HZ3 LYS 47 3.260 -0.956 -13.192 353 H LEU 48 HN LEU 48 1.924 3.613 -7.768 354 HA LEU 48 HA LEU 48 0.898 3.393 -5.027 355 HB2 LEU 48 HB2 LEU 48 1.594 5.889 -6.529 356 HB3 LEU 48 HB1 LEU 48 0.296 5.913 -5.351 357 HG LEU 48 HG LEU 48 3.093 5.008 -4.686 358 HD11 LEU 48 HD11 LEU 48 3.546 7.181 -3.820 359 HD12 LEU 48 HD12 LEU 48 1.905 7.725 -4.167 360 HD13 LEU 48 HD13 LEU 48 3.015 7.373 -5.491 361 HD21 LEU 48 HD21 LEU 48 2.410 4.876 -2.521 362 HD22 LEU 48 HD22 LEU 48 0.877 4.503 -3.310 363 HD23 LEU 48 HD23 LEU 48 1.188 6.133 -2.711 364 H GLN 49 HN GLN 49 -1.064 2.541 -5.208 365 HA GLN 49 HA GLN 49 -2.867 3.608 -7.271 366 HB2 GLN 49 HB2 GLN 49 -1.810 1.113 -7.450 367 HB3 GLN 49 HB1 GLN 49 -3.269 0.780 -6.527 368 HG2 GLN 49 HG2 GLN 49 -4.613 1.135 -8.280 369 HG3 GLN 49 HG1 GLN 49 -3.672 2.511 -8.854 370 HE21 GLN 49 HE21 GLN 49 -3.124 2.134 -10.877 371 HE22 GLN 49 HE22 GLN 49 -2.466 0.660 -11.495 372 H ALA 50 HN ALA 50 -4.809 4.215 -6.542 373 HA ALA 50 HA ALA 50 -5.868 3.080 -4.074 374 HB1 ALA 50 HB1 ALA 50 -5.796 4.940 -2.801 375 HB2 ALA 50 HB2 ALA 50 -6.043 6.019 -4.173 376 HB3 ALA 50 HB3 ALA 50 -4.442 5.355 -3.851 377 H THR 51 HN THR 51 -8.122 3.913 -3.645 378 HA THR 51 HA THR 51 -9.613 3.795 -6.118 379 HB THR 51 HB THR 51 -11.534 3.430 -4.778 380 HG1 THR 51 HG1 THR 51 -11.582 4.884 -3.215 381 HG21 THR 51 HG21 THR 51 -9.172 1.951 -4.199 382 HG22 THR 51 HG22 THR 51 -10.852 1.414 -4.204 383 HG23 THR 51 HG23 THR 51 -10.147 2.090 -2.736 384 HA PRO 52 HA PRO 52 -10.330 8.138 -6.505 385 HB2 PRO 52 HB2 PRO 52 -12.632 8.134 -7.926 386 HB3 PRO 52 HB1 PRO 52 -11.081 7.663 -8.630 387 HG2 PRO 52 HG2 PRO 52 -13.294 5.934 -7.595 388 HG3 PRO 52 HG1 PRO 52 -12.326 5.748 -9.069 389 HD2 PRO 52 HD2 PRO 52 -11.841 4.339 -6.798 390 HD3 PRO 52 HD1 PRO 52 -10.562 4.795 -7.941 391 H ALA 53 HN ALA 53 -11.901 9.843 -6.001 392 HA ALA 53 HA ALA 53 -13.114 9.424 -3.465 393 HB1 ALA 53 HB1 ALA 53 -13.797 11.752 -3.615 394 HB2 ALA 53 HB2 ALA 53 -13.386 11.780 -5.329 395 HB3 ALA 53 HB3 ALA 53 -12.118 11.568 -4.121 396 H SER 54 HN SER 54 -14.287 9.418 -6.750 397 HA SER 54 HA SER 54 -17.041 9.724 -6.189 398 HB2 SER 54 HB2 SER 54 -15.647 8.397 -8.525 399 HB3 SER 54 HB1 SER 54 -17.373 8.754 -8.463 400 HG SER 54 HG SER 54 -15.645 10.335 -9.402 401 H SER 55 HN SER 55 -14.883 6.978 -6.155 402 HA SER 55 HA SER 55 -16.763 4.904 -6.226 403 HB2 SER 55 HB2 SER 55 -15.031 3.494 -5.328 404 HB3 SER 55 HB1 SER 55 -14.267 4.651 -6.417 405 HG SER 55 HG SER 55 -13.042 5.027 -4.747 406 H GLU 56 HN GLU 56 -17.630 3.608 -4.531 407 HA GLU 56 HA GLU 56 -18.552 5.174 -2.297 408 HB2 GLU 56 HB2 GLU 56 -19.913 3.462 -3.624 409 HB3 GLU 56 HB1 GLU 56 -19.036 2.231 -2.726 410 HG2 GLU 56 HG2 GLU 56 -19.895 3.104 -0.636 411 HG3 GLU 56 HG1 GLU 56 -20.723 4.400 -1.498 412 H LYS 57 HN LYS 57 -16.426 2.396 -2.785 413 HA LYS 57 HA LYS 57 -15.817 2.318 0.072 414 HB2 LYS 57 HB2 LYS 57 -16.177 0.293 -1.669 415 HB3 LYS 57 HB1 LYS 57 -14.434 0.487 -1.804 416 HG2 LYS 57 HG2 LYS 57 -14.045 -0.247 0.307 417 HG3 LYS 57 HG1 LYS 57 -15.578 0.372 0.924 418 HD2 LYS 57 HD2 LYS 57 -16.636 -1.467 -0.564 419 HD3 LYS 57 HD1 LYS 57 -15.020 -2.176 -0.547 420 HE2 LYS 57 HE2 LYS 57 -15.050 -2.359 1.836 421 HE3 LYS 57 HE1 LYS 57 -16.543 -1.428 1.941 422 HZ1 LYS 57 HZ1 LYS 57 -17.799 -3.188 1.284 423 HZ2 LYS 57 HZ2 LYS 57 -16.544 -4.038 2.035 424 HZ3 LYS 57 HZ3 LYS 57 -16.570 -3.884 0.351 425 H MET 58 HN MET 58 -14.422 3.896 0.609 426 HA MET 58 HA MET 58 -12.282 4.701 -1.143 427 HB2 MET 58 HB2 MET 58 -12.747 5.486 1.737 428 HB3 MET 58 HB1 MET 58 -11.732 6.319 0.567 429 HG2 MET 58 HG2 MET 58 -13.448 7.446 -0.289 430 HG3 MET 58 HG1 MET 58 -14.481 6.019 -0.330 431 HE1 MET 58 HE1 MET 58 -13.767 8.066 3.705 432 HE2 MET 58 HE2 MET 58 -13.102 8.863 2.279 433 HE3 MET 58 HE3 MET 58 -12.583 7.231 2.700 434 H MET 59 HN MET 59 -10.499 3.527 -1.347 435 HA MET 59 HA MET 59 -9.082 2.643 1.024 436 HB2 MET 59 HB2 MET 59 -9.925 0.689 -1.125 437 HB3 MET 59 HB1 MET 59 -8.816 0.332 0.192 438 HG2 MET 59 HG2 MET 59 -10.791 1.080 1.704 439 HG3 MET 59 HG1 MET 59 -11.764 0.771 0.267 440 HE1 MET 59 HE1 MET 59 -10.559 -1.429 -1.185 441 HE2 MET 59 HE2 MET 59 -12.209 -1.822 -0.703 442 HE3 MET 59 HE3 MET 59 -10.913 -2.989 -0.443 443 H LEU 60 HN LEU 60 -6.899 1.801 0.481 444 HA LEU 60 HA LEU 60 -5.914 2.771 -2.111 445 HB2 LEU 60 HB2 LEU 60 -5.516 4.452 -0.298 446 HB3 LEU 60 HB1 LEU 60 -4.525 3.261 0.522 447 HG LEU 60 HG LEU 60 -3.788 3.845 -2.283 448 HD11 LEU 60 HD11 LEU 60 -2.717 5.784 -0.346 449 HD12 LEU 60 HD12 LEU 60 -4.396 6.029 -0.825 450 HD13 LEU 60 HD13 LEU 60 -3.128 5.983 -2.050 451 HD21 LEU 60 HD21 LEU 60 -2.662 2.359 -0.405 452 HD22 LEU 60 HD22 LEU 60 -1.919 3.900 0.024 453 HD23 LEU 60 HD23 LEU 60 -1.702 3.237 -1.595 454 H ARG 61 HN ARG 61 -3.812 1.879 -2.717 455 HA ARG 61 HA ARG 61 -2.976 -0.512 -1.274 456 HB2 ARG 61 HB2 ARG 61 -4.660 -1.336 -2.841 457 HB3 ARG 61 HB1 ARG 61 -3.823 -0.555 -4.176 458 HG2 ARG 61 HG2 ARG 61 -2.210 -2.144 -4.281 459 HG3 ARG 61 HG1 ARG 61 -2.265 -2.473 -2.548 460 HD2 ARG 61 HD2 ARG 61 -3.697 -4.157 -2.830 461 HD3 ARG 61 HD1 ARG 61 -4.753 -3.180 -3.849 462 HE ARG 61 HE ARG 61 -2.684 -3.811 -5.488 463 HH11 ARG 61 HH11 ARG 61 -4.844 -5.693 -3.495 464 HH12 ARG 61 HH12 ARG 61 -4.786 -7.083 -4.526 465 HH21 ARG 61 HH21 ARG 61 -2.606 -5.638 -6.845 466 HH22 ARG 61 HH22 ARG 61 -3.515 -7.053 -6.428 467 H LEU 62 HN LEU 62 -0.832 -0.877 -1.389 468 HA LEU 62 HA LEU 62 0.723 0.841 -3.209 469 HB2 LEU 62 HB2 LEU 62 1.642 -0.320 -0.581 470 HB3 LEU 62 HB1 LEU 62 2.493 0.848 -1.575 471 HG LEU 62 HG LEU 62 -0.203 1.564 -0.510 472 HD11 LEU 62 HD11 LEU 62 1.131 0.604 1.377 473 HD12 LEU 62 HD12 LEU 62 0.683 2.298 1.572 474 HD13 LEU 62 HD13 LEU 62 2.325 1.869 1.094 475 HD21 LEU 62 HD21 LEU 62 2.085 3.425 -0.528 476 HD22 LEU 62 HD22 LEU 62 0.407 3.680 -1.006 477 HD23 LEU 62 HD23 LEU 62 1.523 2.869 -2.105 478 H ILE 63 HN ILE 63 2.393 -0.039 -4.383 479 HA ILE 63 HA ILE 63 2.563 -2.982 -4.341 480 HB ILE 63 HB ILE 63 3.318 -1.282 -6.704 481 HG12 ILE 63 HG12 ILE 63 0.977 -0.771 -6.155 482 HG13 ILE 63 HG11 ILE 63 1.090 -1.709 -7.642 483 HG21 ILE 63 HG21 ILE 63 4.150 -3.380 -7.089 484 HG22 ILE 63 HG22 ILE 63 2.535 -3.549 -7.777 485 HG23 ILE 63 HG23 ILE 63 2.877 -4.175 -6.164 486 HD11 ILE 63 HD11 ILE 63 0.687 -3.190 -5.109 487 HD12 ILE 63 HD12 ILE 63 0.084 -3.526 -6.732 488 HD13 ILE 63 HD13 ILE 63 -0.669 -2.265 -5.756 489 H GLY 64 HN GLY 64 4.419 -3.788 -3.631 490 HA2 GLY 64 HA2 GLY 64 6.723 -2.076 -3.278 491 HA3 GLY 64 HA1 GLY 64 6.580 -3.753 -2.774 492 H LYS 65 HN LYS 65 8.902 -2.799 -3.918 493 HA LYS 65 HA LYS 65 9.106 -3.104 -6.694 494 HB2 LYS 65 HB2 LYS 65 11.008 -3.165 -4.409 495 HB3 LYS 65 HB1 LYS 65 11.566 -3.833 -5.937 496 HG2 LYS 65 HG2 LYS 65 12.236 -1.682 -6.204 497 HG3 LYS 65 HG1 LYS 65 10.607 -1.555 -6.872 498 HD2 LYS 65 HD2 LYS 65 9.769 -0.549 -4.923 499 HD3 LYS 65 HD1 LYS 65 11.168 -1.041 -3.966 500 HE2 LYS 65 HE2 LYS 65 11.371 1.297 -4.400 501 HE3 LYS 65 HE1 LYS 65 12.569 0.461 -5.388 502 HZ1 LYS 65 HZ1 LYS 65 10.524 0.554 -7.079 503 HZ2 LYS 65 HZ2 LYS 65 11.702 1.763 -6.987 504 HZ3 LYS 65 HZ3 LYS 65 10.220 1.966 -6.198 505 H VAL 66 HN VAL 66 10.426 -4.879 -7.755 506 HA VAL 66 HA VAL 66 9.758 -7.516 -6.634 507 HB VAL 66 HB VAL 66 8.103 -6.972 -8.365 508 HG11 VAL 66 HG11 VAL 66 10.052 -7.143 -10.568 509 HG12 VAL 66 HG12 VAL 66 10.070 -5.643 -9.639 510 HG13 VAL 66 HG13 VAL 66 8.583 -6.179 -10.421 511 HG21 VAL 66 HG21 VAL 66 10.025 -9.079 -9.343 512 HG22 VAL 66 HG22 VAL 66 8.287 -9.000 -9.634 513 HG23 VAL 66 HG23 VAL 66 8.896 -9.305 -8.007 514 H ASP 67 HN ASP 67 11.055 -9.280 -7.484 515 HA ASP 67 HA ASP 67 13.606 -8.426 -8.669 516 HB2 ASP 67 HB2 ASP 67 13.170 -10.046 -6.175 517 HB3 ASP 67 HB1 ASP 67 14.638 -10.244 -7.128 518 H GLU 68 HN GLU 68 13.535 -9.349 -10.623 519 HA GLU 68 HA GLU 68 13.012 -12.243 -10.744 520 HB2 GLU 68 HB2 GLU 68 12.247 -10.322 -12.939 521 HB3 GLU 68 HB1 GLU 68 11.808 -12.018 -12.787 522 HG2 GLU 68 HG2 GLU 68 10.548 -11.373 -10.697 523 HG3 GLU 68 HG1 GLU 68 10.804 -9.695 -11.173 524 H SER 69 HN SER 69 15.005 -13.048 -11.030 525 HA SER 69 HA SER 69 16.388 -12.460 -13.487 526 HB2 SER 69 HB2 SER 69 17.307 -10.691 -12.087 527 HB3 SER 69 HB1 SER 69 17.712 -11.861 -10.831 528 HG SER 69 HG SER 69 19.192 -11.120 -12.883 529 H LYS 70 HN LYS 70 17.406 -13.794 -10.344 530 HA LYS 70 HA LYS 70 18.422 -16.165 -11.642 531 HB2 LYS 70 HB2 LYS 70 18.258 -15.522 -8.693 532 HB3 LYS 70 HB1 LYS 70 19.217 -16.798 -9.431 533 HG2 LYS 70 HG2 LYS 70 20.871 -15.296 -9.290 534 HG3 LYS 70 HG1 LYS 70 20.153 -14.646 -10.765 535 HD2 LYS 70 HD2 LYS 70 19.051 -12.931 -9.607 536 HD3 LYS 70 HD1 LYS 70 19.260 -13.732 -8.048 537 HE2 LYS 70 HE2 LYS 70 20.953 -12.267 -7.808 538 HE3 LYS 70 HE1 LYS 70 21.837 -13.431 -8.794 539 HZ1 LYS 70 HZ1 LYS 70 20.838 -12.030 -10.732 540 HZ2 LYS 70 HZ2 LYS 70 22.226 -11.498 -9.924 541 HZ3 LYS 70 HZ3 LYS 70 20.720 -10.824 -9.550 542 H LYS 71 HN LYS 71 15.819 -15.365 -9.377 543 HA LYS 71 HA LYS 71 13.917 -16.464 -8.788 544 HB2 LYS 71 HB2 LYS 71 14.509 -17.510 -11.501 545 HB3 LYS 71 HB1 LYS 71 13.351 -18.421 -10.541 546 HG2 LYS 71 HG2 LYS 71 11.760 -16.858 -10.746 547 HG3 LYS 71 HG1 LYS 71 12.902 -15.525 -10.562 548 HD2 LYS 71 HD2 LYS 71 13.442 -15.513 -12.826 549 HD3 LYS 71 HD1 LYS 71 12.857 -17.160 -13.072 550 HE2 LYS 71 HE2 LYS 71 11.417 -15.299 -14.011 551 HE3 LYS 71 HE1 LYS 71 10.603 -16.481 -12.987 552 HZ1 LYS 71 HZ1 LYS 71 11.592 -13.857 -12.017 553 HZ2 LYS 71 HZ2 LYS 71 10.625 -14.957 -11.173 554 HZ3 LYS 71 HZ3 LYS 71 10.000 -14.140 -12.515 555 H ARG 72 HN ARG 72 14.084 -17.611 -6.983 556 HA ARG 72 HA ARG 72 15.298 -20.289 -7.140 557 HB2 ARG 72 HB2 ARG 72 15.446 -18.539 -4.690 558 HB3 ARG 72 HB1 ARG 72 16.331 -20.023 -5.017 559 HG2 ARG 72 HG2 ARG 72 17.173 -18.505 -7.076 560 HG3 ARG 72 HG1 ARG 72 16.885 -17.260 -5.859 561 HD2 ARG 72 HD2 ARG 72 18.341 -19.688 -4.989 562 HD3 ARG 72 HD1 ARG 72 19.197 -18.583 -6.064 563 HE ARG 72 HE ARG 72 18.508 -18.141 -3.309 564 HH11 ARG 72 HH11 ARG 72 19.264 -16.602 -6.350 565 HH12 ARG 72 HH12 ARG 72 19.807 -15.132 -5.614 566 HH21 ARG 72 HH21 ARG 72 19.223 -16.208 -2.340 567 HH22 ARG 72 HH22 ARG 72 19.785 -14.908 -3.337 568 H LYS 73 HN LYS 73 14.727 -21.110 -4.548 569 HA LYS 73 HA LYS 73 13.090 -22.059 -3.287 570 HB2 LYS 73 HB2 LYS 73 11.439 -19.723 -4.265 571 HB3 LYS 73 HB1 LYS 73 11.009 -20.790 -2.935 572 HG2 LYS 73 HG2 LYS 73 13.558 -19.212 -2.931 573 HG3 LYS 73 HG1 LYS 73 12.034 -18.531 -2.359 574 HD2 LYS 73 HD2 LYS 73 11.927 -20.716 -0.932 575 HD3 LYS 73 HD1 LYS 73 13.668 -20.759 -1.218 576 HE2 LYS 73 HE2 LYS 73 13.247 -18.149 -0.491 577 HE3 LYS 73 HE1 LYS 73 12.086 -19.015 0.515 578 HZ1 LYS 73 HZ1 LYS 73 14.251 -20.531 0.828 579 HZ2 LYS 73 HZ2 LYS 73 13.862 -19.241 1.850 580 HZ3 LYS 73 HZ3 LYS 73 14.986 -19.023 0.605 581 H ASP 74 HN ASP 74 13.062 -23.876 -4.697 582 HA ASP 74 HA ASP 74 10.514 -24.590 -5.624 583 HB2 ASP 74 HB2 ASP 74 11.550 -22.933 -7.443 584 HB3 ASP 74 HB1 ASP 74 12.317 -24.422 -7.988 585 H ASN 75 HN ASN 75 10.632 -26.610 -4.887 586 HA ASN 75 HA ASN 75 11.274 -28.774 -4.617 587 HB2 ASN 75 HB2 ASN 75 12.367 -28.056 -7.288 588 HB3 ASN 75 HB1 ASN 75 12.968 -29.537 -6.548 589 HD21 ASN 75 HD21 ASN 75 9.982 -27.831 -7.361 590 HD22 ASN 75 HD22 ASN 75 9.052 -29.251 -7.686 591 H GLU 76 HN GLU 76 12.481 -27.423 -2.823 592 HA GLU 76 HA GLU 76 14.893 -28.739 -2.294 593 HB2 GLU 76 HB2 GLU 76 15.139 -26.262 -3.821 594 HB3 GLU 76 HB1 GLU 76 16.055 -26.225 -2.321 595 HG2 GLU 76 HG2 GLU 76 17.535 -27.769 -3.024 596 HG3 GLU 76 HG1 GLU 76 16.327 -28.672 -3.937 597 H GLY 77 HN GLY 77 13.990 -25.338 -1.725 598 HA2 GLY 77 HA2 GLY 77 13.510 -26.037 1.101 599 HA3 GLY 77 HA1 GLY 77 14.524 -24.667 0.673 600 H ASN 78 HN ASN 78 11.372 -25.749 1.274 601 HA ASN 78 HA ASN 78 9.295 -24.820 1.116 602 HB2 ASN 78 HB2 ASN 78 9.147 -22.540 1.981 603 HB3 ASN 78 HB1 ASN 78 10.295 -23.493 2.915 604 HD21 ASN 78 HD21 ASN 78 12.504 -23.067 2.718 605 HD22 ASN 78 HD22 ASN 78 13.086 -21.574 2.072 606 H GLU 79 HN GLU 79 8.448 -24.938 -0.864 607 HA GLU 79 HA GLU 79 9.373 -23.533 -3.128 608 HB2 GLU 79 HB2 GLU 79 6.774 -24.933 -2.520 609 HB3 GLU 79 HB1 GLU 79 7.087 -24.168 -4.072 610 HG2 GLU 79 HG2 GLU 79 8.926 -25.638 -4.498 611 HG3 GLU 79 HG1 GLU 79 8.819 -26.315 -2.874 612 H VAL 80 HN VAL 80 9.149 -21.471 -3.657 613 HA VAL 80 HA VAL 80 6.711 -20.030 -3.164 614 HB VAL 80 HB VAL 80 7.798 -19.776 -0.979 615 HG11 VAL 80 HG11 VAL 80 9.892 -18.295 -0.954 616 HG12 VAL 80 HG12 VAL 80 10.083 -18.771 -2.641 617 HG13 VAL 80 HG13 VAL 80 10.088 -19.997 -1.372 618 HG21 VAL 80 HG21 VAL 80 6.434 -17.942 -2.028 619 HG22 VAL 80 HG22 VAL 80 7.954 -17.172 -2.483 620 HG23 VAL 80 HG23 VAL 80 7.565 -17.419 -0.780 621 H VAL 81 HN VAL 81 6.713 -17.901 -4.160 622 HA VAL 81 HA VAL 81 8.806 -17.625 -6.218 623 HB VAL 81 HB VAL 81 5.909 -16.825 -6.519 624 HG11 VAL 81 HG11 VAL 81 6.453 -16.493 -8.851 625 HG12 VAL 81 HG12 VAL 81 8.111 -17.025 -8.570 626 HG13 VAL 81 HG13 VAL 81 7.531 -15.524 -7.847 627 HG21 VAL 81 HG21 VAL 81 5.395 -18.835 -7.384 628 HG22 VAL 81 HG22 VAL 81 6.793 -19.394 -6.466 629 HG23 VAL 81 HG23 VAL 81 6.960 -19.007 -8.178 630 HA PRO 82 HA PRO 82 9.386 -13.592 -4.432 631 HB2 PRO 82 HB2 PRO 82 11.028 -12.543 -6.291 632 HB3 PRO 82 HB1 PRO 82 11.561 -13.808 -5.178 633 HG2 PRO 82 HG2 PRO 82 10.680 -14.042 -8.030 634 HG3 PRO 82 HG1 PRO 82 12.046 -14.824 -7.213 635 HD2 PRO 82 HD2 PRO 82 9.667 -16.072 -7.681 636 HD3 PRO 82 HD1 PRO 82 10.725 -16.473 -6.315 637 H LYS 83 HN LYS 83 6.915 -13.597 -5.330 638 HA LYS 83 HA LYS 83 6.492 -11.878 -7.591 639 HB2 LYS 83 HB2 LYS 83 4.780 -13.283 -5.609 640 HB3 LYS 83 HB1 LYS 83 4.092 -11.873 -6.403 641 HG2 LYS 83 HG2 LYS 83 4.519 -12.883 -8.582 642 HG3 LYS 83 HG1 LYS 83 5.226 -14.293 -7.791 643 HD2 LYS 83 HD2 LYS 83 3.112 -14.821 -6.750 644 HD3 LYS 83 HD1 LYS 83 2.390 -13.344 -7.390 645 HE2 LYS 83 HE2 LYS 83 3.523 -15.537 -9.117 646 HE3 LYS 83 HE1 LYS 83 1.826 -15.444 -8.646 647 HZ1 LYS 83 HZ1 LYS 83 2.788 -14.359 -10.867 648 HZ2 LYS 83 HZ2 LYS 83 2.958 -13.040 -9.822 649 HZ3 LYS 83 HZ3 LYS 83 1.438 -13.746 -10.051 650 HA PRO 84 HA PRO 84 6.506 -7.911 -5.683 651 HB2 PRO 84 HB2 PRO 84 4.319 -6.686 -6.738 652 HB3 PRO 84 HB1 PRO 84 5.791 -6.997 -7.665 653 HG2 PRO 84 HG2 PRO 84 3.227 -8.543 -7.605 654 HG3 PRO 84 HG1 PRO 84 4.232 -8.094 -8.997 655 HD2 PRO 84 HD2 PRO 84 4.301 -10.563 -7.898 656 HD3 PRO 84 HD1 PRO 84 5.733 -9.807 -8.625 657 H GLN 85 HN GLN 85 5.887 -7.027 -3.793 658 HA GLN 85 HA GLN 85 3.655 -8.237 -2.385 659 HB2 GLN 85 HB2 GLN 85 4.517 -7.094 -0.419 660 HB3 GLN 85 HB1 GLN 85 5.818 -7.941 -1.245 661 HG2 GLN 85 HG2 GLN 85 6.297 -5.689 -2.374 662 HG3 GLN 85 HG1 GLN 85 5.281 -5.001 -1.108 663 HE21 GLN 85 HE21 GLN 85 7.943 -7.331 -1.424 664 HE22 GLN 85 HE22 GLN 85 8.834 -6.757 -0.060 665 H ARG 86 HN ARG 86 1.702 -7.426 -2.779 666 HA ARG 86 HA ARG 86 1.415 -4.510 -3.058 667 HB2 ARG 86 HB2 ARG 86 -0.587 -6.610 -3.893 668 HB3 ARG 86 HB1 ARG 86 -0.591 -4.902 -4.309 669 HG2 ARG 86 HG2 ARG 86 0.960 -5.150 -5.943 670 HG3 ARG 86 HG1 ARG 86 1.781 -6.475 -5.115 671 HD2 ARG 86 HD2 ARG 86 -0.903 -6.686 -6.474 672 HD3 ARG 86 HD1 ARG 86 0.630 -7.180 -7.191 673 HE ARG 86 HE ARG 86 0.396 -8.489 -4.750 674 HH11 ARG 86 HH11 ARG 86 -1.249 -8.413 -7.827 675 HH12 ARG 86 HH12 ARG 86 -1.784 -10.057 -7.722 676 HH21 ARG 86 HH21 ARG 86 -0.307 -10.651 -4.611 677 HH22 ARG 86 HH22 ARG 86 -1.250 -11.327 -5.897 678 H HIS 87 HN HIS 87 0.832 -3.591 -1.201 679 HA HIS 87 HA HIS 87 -0.925 -5.061 0.632 680 HB2 HIS 87 HB2 HIS 87 0.573 -2.505 1.212 681 HB3 HIS 87 HB1 HIS 87 -0.152 -3.614 2.371 682 HD1 HIS 87 HD1 HIS 87 1.021 -6.124 2.303 683 HD2 HIS 87 HD2 HIS 87 3.224 -2.907 0.865 684 HE1 HIS 87 HE1 HIS 87 3.416 -6.889 2.318 685 HE2 HIS 87 HE2 HIS 87 4.720 -4.957 1.361 686 H MET 88 HN MET 88 -2.970 -4.462 0.966 687 HA MET 88 HA MET 88 -3.875 -1.935 -0.244 688 HB2 MET 88 HB2 MET 88 -6.141 -3.038 -0.257 689 HB3 MET 88 HB1 MET 88 -4.949 -3.761 -1.328 690 HG2 MET 88 HG2 MET 88 -4.919 -5.704 -0.205 691 HG3 MET 88 HG1 MET 88 -5.081 -4.922 1.367 692 HE1 MET 88 HE1 MET 88 -8.642 -3.524 0.618 693 HE2 MET 88 HE2 MET 88 -7.115 -3.280 1.466 694 HE3 MET 88 HE3 MET 88 -8.358 -4.314 2.169 695 H PHE 89 HN PHE 89 -4.234 -0.382 1.186 696 HA PHE 89 HA PHE 89 -5.180 -1.125 3.873 697 HB2 PHE 89 HB2 PHE 89 -3.495 1.162 2.886 698 HB3 PHE 89 HB1 PHE 89 -4.351 1.266 4.421 699 HD1 PHE 89 HD1 PHE 89 -1.931 -0.848 2.555 700 HD2 PHE 89 HD2 PHE 89 -3.392 0.409 6.349 701 HE1 PHE 89 HE1 PHE 89 -0.085 -2.044 3.658 702 HE2 PHE 89 HE2 PHE 89 -1.549 -0.784 7.459 703 HZ PHE 89 HZ PHE 89 0.108 -2.013 6.113 704 H SER 90 HN SER 90 -7.045 -0.295 4.653 705 HA SER 90 HA SER 90 -8.723 1.166 2.772 706 HB2 SER 90 HB2 SER 90 -9.560 0.157 5.488 707 HB3 SER 90 HB1 SER 90 -10.575 0.491 4.086 708 HG SER 90 HG SER 90 -10.354 -1.633 3.934 709 H PHE 91 HN PHE 91 -9.998 3.005 3.479 710 HA PHE 91 HA PHE 91 -8.910 4.487 5.756 711 HB2 PHE 91 HB2 PHE 91 -8.909 5.393 2.891 712 HB3 PHE 91 HB1 PHE 91 -8.992 6.566 4.201 713 HD1 PHE 91 HD2 PHE 91 -6.961 3.740 2.908 714 HD2 PHE 91 HD1 PHE 91 -7.055 7.282 5.264 715 HE1 PHE 91 HE2 PHE 91 -4.513 3.647 3.138 716 HE2 PHE 91 HE1 PHE 91 -4.607 7.196 5.498 717 HZ PHE 91 HZ PHE 91 -3.333 5.377 4.435 718 H ASN 92 HN ASN 92 -10.235 6.560 6.094 719 HA ASN 92 HA ASN 92 -13.043 6.147 5.339 720 HB2 ASN 92 HB2 ASN 92 -11.962 6.586 8.124 721 HB3 ASN 92 HB1 ASN 92 -13.651 6.852 7.703 722 HD21 ASN 92 HD21 ASN 92 -11.756 4.757 9.173 723 HD22 ASN 92 HD22 ASN 92 -12.543 3.267 8.793 724 H ASN 93 HN ASN 93 -11.089 7.972 4.285 725 HA ASN 93 HA ASN 93 -12.602 10.370 4.388 726 HB2 ASN 93 HB2 ASN 93 -10.888 10.182 6.509 727 HB3 ASN 93 HB1 ASN 93 -9.890 11.027 5.330 728 HD21 ASN 93 HD21 ASN 93 -10.507 13.067 4.617 729 HD22 ASN 93 HD22 ASN 93 -11.673 14.020 5.465 730 H ARG 94 HN ARG 94 -12.424 11.243 2.436 731 HA ARG 94 HA ARG 94 -10.581 10.297 0.518 732 HB2 ARG 94 HB2 ARG 94 -12.829 11.202 -0.021 733 HB3 ARG 94 HB1 ARG 94 -12.261 12.808 0.413 734 HG2 ARG 94 HG2 ARG 94 -10.460 11.673 -1.485 735 HG3 ARG 94 HG1 ARG 94 -12.111 11.515 -2.086 736 HD2 ARG 94 HD2 ARG 94 -11.460 13.603 -2.870 737 HD3 ARG 94 HD1 ARG 94 -12.360 13.988 -1.404 738 HE ARG 94 HE ARG 94 -9.573 13.686 -0.891 739 HH11 ARG 94 HH11 ARG 94 -11.960 15.908 -2.133 740 HH12 ARG 94 HH12 ARG 94 -11.032 17.318 -1.747 741 HH21 ARG 94 HH21 ARG 94 -8.350 15.539 -0.382 742 HH22 ARG 94 HH22 ARG 94 -8.982 17.109 -0.753 743 H THR 95 HN THR 95 -10.611 13.101 2.622 744 HA THR 95 HA THR 95 -8.415 14.418 1.345 745 HB THR 95 HB THR 95 -9.555 14.806 4.120 746 HG1 THR 95 HG1 THR 95 -11.144 15.276 2.685 747 HG21 THR 95 HG21 THR 95 -7.259 15.944 2.975 748 HG22 THR 95 HG22 THR 95 -8.080 16.408 4.465 749 HG23 THR 95 HG23 THR 95 -8.514 17.182 2.941 750 H VAL 96 HN VAL 96 -8.785 12.219 4.068 751 HA VAL 96 HA VAL 96 -6.022 12.415 4.855 752 HB VAL 96 HB VAL 96 -8.013 10.299 5.673 753 HG11 VAL 96 HG11 VAL 96 -5.621 11.354 7.167 754 HG12 VAL 96 HG12 VAL 96 -5.574 9.924 6.135 755 HG13 VAL 96 HG13 VAL 96 -6.610 9.949 7.562 756 HG21 VAL 96 HG21 VAL 96 -8.754 12.712 6.032 757 HG22 VAL 96 HG22 VAL 96 -7.434 12.823 7.197 758 HG23 VAL 96 HG23 VAL 96 -8.736 11.660 7.447 759 H MET 97 HN MET 97 -8.042 9.988 3.227 760 HA MET 97 HA MET 97 -6.067 8.035 2.885 761 HB2 MET 97 HB2 MET 97 -8.483 7.645 2.541 762 HB3 MET 97 HB1 MET 97 -8.423 8.631 1.086 763 HG2 MET 97 HG2 MET 97 -6.740 7.011 0.176 764 HG3 MET 97 HG1 MET 97 -7.086 5.983 1.566 765 HE1 MET 97 HE1 MET 97 -9.663 6.832 -2.079 766 HE2 MET 97 HE2 MET 97 -8.035 6.160 -2.184 767 HE3 MET 97 HE3 MET 97 -8.285 7.760 -1.485 768 H ASP 98 HN ASP 98 -6.793 10.934 1.070 769 HA ASP 98 HA ASP 98 -5.041 10.237 -1.118 770 HB2 ASP 98 HB2 ASP 98 -6.668 12.670 -0.421 771 HB3 ASP 98 HB1 ASP 98 -5.495 12.708 -1.734 772 H ASN 99 HN ASN 99 -4.894 12.107 1.830 773 HA ASN 99 HA ASN 99 -2.598 13.622 1.295 774 HB2 ASN 99 HB2 ASN 99 -4.205 13.865 3.253 775 HB3 ASN 99 HB1 ASN 99 -3.342 12.529 4.009 776 HD21 ASN 99 HD21 ASN 99 -3.583 15.199 4.987 777 HD22 ASN 99 HD22 ASN 99 -1.987 15.855 5.083 778 H ILE 100 HN ILE 100 -2.998 10.274 2.118 779 HA ILE 100 HA ILE 100 -0.306 9.827 2.975 780 HB ILE 100 HB ILE 100 -2.306 7.803 1.960 781 HG12 ILE 100 HG12 ILE 100 -3.174 9.135 3.859 782 HG13 ILE 100 HG11 ILE 100 -2.911 7.449 4.291 783 HG21 ILE 100 HG21 ILE 100 0.214 7.525 3.587 784 HG22 ILE 100 HG22 ILE 100 -0.098 6.885 1.973 785 HG23 ILE 100 HG23 ILE 100 -0.969 6.236 3.362 786 HD11 ILE 100 HD11 ILE 100 -1.448 7.984 5.874 787 HD12 ILE 100 HD12 ILE 100 -2.040 9.635 5.696 788 HD13 ILE 100 HD13 ILE 100 -0.596 9.117 4.826 789 H LYS 101 HN LYS 101 -2.089 9.058 -0.012 790 HA LYS 101 HA LYS 101 0.051 7.958 -1.430 791 HB2 LYS 101 HB2 LYS 101 -2.351 7.821 -2.086 792 HB3 LYS 101 HB1 LYS 101 -2.276 9.506 -2.580 793 HG2 LYS 101 HG2 LYS 101 -0.241 8.588 -4.020 794 HG3 LYS 101 HG1 LYS 101 -1.167 7.092 -3.883 795 HD2 LYS 101 HD2 LYS 101 -2.719 9.502 -4.575 796 HD3 LYS 101 HD1 LYS 101 -1.576 8.949 -5.801 797 HE2 LYS 101 HE2 LYS 101 -2.615 6.621 -5.383 798 HE3 LYS 101 HE1 LYS 101 -3.934 7.517 -4.631 799 HZ1 LYS 101 HZ1 LYS 101 -4.003 6.934 -7.152 800 HZ2 LYS 101 HZ2 LYS 101 -3.024 8.304 -7.310 801 HZ3 LYS 101 HZ3 LYS 101 -4.560 8.438 -6.614 802 H MET 102 HN MET 102 -1.146 11.305 -1.353 803 HA MET 102 HA MET 102 0.630 12.387 -3.213 804 HB2 MET 102 HB2 MET 102 0.044 14.531 -2.340 805 HB3 MET 102 HB1 MET 102 -1.390 13.519 -2.233 806 HG2 MET 102 HG2 MET 102 -1.071 13.209 0.117 807 HG3 MET 102 HG1 MET 102 0.483 14.036 0.062 808 HE1 MET 102 HE1 MET 102 0.870 16.340 0.394 809 HE2 MET 102 HE2 MET 102 -0.012 15.992 1.881 810 HE3 MET 102 HE3 MET 102 -0.349 17.471 0.980 811 H THR 103 HN THR 103 1.095 11.501 0.118 812 HA THR 103 HA THR 103 3.582 12.943 0.386 813 HB THR 103 HB THR 103 2.341 10.843 2.175 814 HG1 THR 103 HG1 THR 103 2.183 13.665 2.145 815 HG21 THR 103 HG21 THR 103 4.282 12.916 3.086 816 HG22 THR 103 HG22 THR 103 4.854 11.389 2.414 817 HG23 THR 103 HG23 THR 103 3.825 11.392 3.847 818 H LEU 104 HN LEU 104 2.533 9.712 -0.427 819 HA LEU 104 HA LEU 104 5.159 8.554 -0.205 820 HB2 LEU 104 HB2 LEU 104 2.486 7.614 -0.529 821 HB3 LEU 104 HB1 LEU 104 3.458 6.955 -1.831 822 HG LEU 104 HG LEU 104 4.552 6.759 0.927 823 HD11 LEU 104 HD11 LEU 104 2.035 5.511 0.023 824 HD12 LEU 104 HD12 LEU 104 2.600 5.886 1.652 825 HD13 LEU 104 HD13 LEU 104 3.195 4.448 0.821 826 HD21 LEU 104 HD21 LEU 104 5.799 5.979 -1.048 827 HD22 LEU 104 HD22 LEU 104 4.491 4.852 -1.408 828 HD23 LEU 104 HD23 LEU 104 5.428 4.670 0.075 829 H GLN 105 HN GLN 105 3.052 9.653 -2.827 830 HA GLN 105 HA GLN 105 4.599 8.812 -4.990 831 HB2 GLN 105 HB2 GLN 105 3.389 10.443 -6.308 832 HB3 GLN 105 HB1 GLN 105 2.288 9.684 -5.165 833 HG2 GLN 105 HG2 GLN 105 1.653 11.814 -4.829 834 HG3 GLN 105 HG1 GLN 105 3.015 11.799 -3.710 835 HE21 GLN 105 HE21 GLN 105 2.540 14.188 -4.308 836 HE22 GLN 105 HE22 GLN 105 3.526 14.832 -5.573 837 H GLN 106 HN GLN 106 4.994 11.517 -2.833 838 HA GLN 106 HA GLN 106 6.899 12.889 -4.496 839 HB2 GLN 106 HB2 GLN 106 5.757 13.278 -1.773 840 HB3 GLN 106 HB1 GLN 106 7.298 14.045 -2.131 841 HG2 GLN 106 HG2 GLN 106 5.264 14.437 -4.192 842 HG3 GLN 106 HG1 GLN 106 4.849 15.122 -2.622 843 HE21 GLN 106 HE21 GLN 106 8.033 14.758 -4.093 844 HE22 GLN 106 HE22 GLN 106 8.394 16.446 -4.163 845 H ILE 107 HN ILE 107 7.047 10.874 -1.579 846 HA ILE 107 HA ILE 107 9.837 11.045 -1.211 847 HB ILE 107 HB ILE 107 8.033 8.761 -0.403 848 HG12 ILE 107 HG12 ILE 107 8.825 10.970 1.449 849 HG13 ILE 107 HG11 ILE 107 7.511 11.255 0.312 850 HG21 ILE 107 HG21 ILE 107 10.611 9.690 0.848 851 HG22 ILE 107 HG22 ILE 107 10.496 8.361 -0.306 852 HG23 ILE 107 HG23 ILE 107 9.677 8.249 1.252 853 HD11 ILE 107 HD11 ILE 107 6.689 10.524 2.482 854 HD12 ILE 107 HD12 ILE 107 7.625 9.036 2.341 855 HD13 ILE 107 HD13 ILE 107 6.300 9.353 1.221 856 H ILE 108 HN ILE 108 7.814 8.730 -2.972 857 HA ILE 108 HA ILE 108 9.983 7.030 -3.713 858 HB ILE 108 HB ILE 108 7.295 7.260 -5.069 859 HG12 ILE 108 HG12 ILE 108 7.984 5.264 -2.928 860 HG13 ILE 108 HG11 ILE 108 7.343 6.849 -2.508 861 HG21 ILE 108 HG21 ILE 108 9.255 4.973 -4.921 862 HG22 ILE 108 HG22 ILE 108 8.996 6.017 -6.319 863 HG23 ILE 108 HG23 ILE 108 7.700 4.962 -5.755 864 HD11 ILE 108 HD11 ILE 108 5.818 4.691 -2.917 865 HD12 ILE 108 HD12 ILE 108 5.848 5.348 -4.554 866 HD13 ILE 108 HD13 ILE 108 5.269 6.340 -3.216 867 H SER 109 HN SER 109 8.219 9.643 -5.327 868 HA SER 109 HA SER 109 9.568 9.403 -7.812 869 HB2 SER 109 HB2 SER 109 8.032 11.695 -6.572 870 HB3 SER 109 HB1 SER 109 8.658 11.716 -8.221 871 HG SER 109 HG SER 109 6.750 9.927 -7.126 872 H ARG 110 HN ARG 110 10.241 11.118 -4.841 873 HA ARG 110 HA ARG 110 12.251 12.833 -5.893 874 HB2 ARG 110 HB2 ARG 110 11.314 12.040 -3.183 875 HB3 ARG 110 HB1 ARG 110 12.923 12.737 -3.310 876 HG2 ARG 110 HG2 ARG 110 11.577 14.529 -4.759 877 HG3 ARG 110 HG1 ARG 110 10.276 13.987 -3.697 878 HD2 ARG 110 HD2 ARG 110 11.287 15.826 -2.611 879 HD3 ARG 110 HD1 ARG 110 11.852 14.385 -1.766 880 HE ARG 110 HE ARG 110 13.977 14.919 -2.392 881 HH11 ARG 110 HH11 ARG 110 11.760 16.592 -4.505 882 HH12 ARG 110 HH12 ARG 110 13.006 17.487 -5.309 883 HH21 ARG 110 HH21 ARG 110 15.617 16.096 -3.448 884 HH22 ARG 110 HH22 ARG 110 15.195 17.205 -4.710 885 H TYR 111 HN TYR 111 12.227 9.566 -4.662 886 HA TYR 111 HA TYR 111 15.155 9.444 -4.878 887 HB2 TYR 111 HB2 TYR 111 13.312 7.395 -3.643 888 HB3 TYR 111 HB1 TYR 111 15.066 7.463 -3.514 889 HD1 TYR 111 HD2 TYR 111 15.384 10.400 -2.970 890 HD2 TYR 111 HD1 TYR 111 12.662 7.538 -1.389 891 HE1 TYR 111 HE2 TYR 111 15.181 11.737 -0.916 892 HE2 TYR 111 HE1 TYR 111 12.451 8.867 0.669 893 HH TYR 111 HH TYR 111 13.615 10.544 1.908 894 H LYS 112 HN LYS 112 12.771 9.121 -6.943 895 HA LYS 112 HA LYS 112 13.267 6.484 -7.992 896 HB2 LYS 112 HB2 LYS 112 11.466 8.743 -8.615 897 HB3 LYS 112 HB1 LYS 112 11.938 7.751 -9.988 898 HG2 LYS 112 HG2 LYS 112 11.014 6.346 -7.550 899 HG3 LYS 112 HG1 LYS 112 9.808 7.215 -8.502 900 HD2 LYS 112 HD2 LYS 112 10.930 5.973 -10.511 901 HD3 LYS 112 HD1 LYS 112 11.495 4.868 -9.256 902 HE2 LYS 112 HE2 LYS 112 9.215 4.459 -8.547 903 HE3 LYS 112 HE1 LYS 112 8.615 5.637 -9.713 904 HZ1 LYS 112 HZ1 LYS 112 9.689 4.176 -11.455 905 HZ2 LYS 112 HZ2 LYS 112 8.307 3.555 -10.705 906 HZ3 LYS 112 HZ3 LYS 112 9.837 2.997 -10.250 907 H ASP 113 HN ASP 113 13.869 9.804 -9.142 908 HA ASP 113 HA ASP 113 16.031 8.720 -10.826 909 HB2 ASP 113 HB2 ASP 113 13.828 9.918 -11.807 910 HB3 ASP 113 HB1 ASP 113 14.835 11.338 -11.543 911 H ALA 114 HN ALA 114 14.946 11.475 -8.889 912 HA ALA 114 HA ALA 114 17.297 12.995 -9.031 913 HB1 ALA 114 HB1 ALA 114 16.276 14.396 -7.585 914 HB2 ALA 114 HB2 ALA 114 15.798 13.095 -6.494 915 HB3 ALA 114 HB3 ALA 114 14.864 13.406 -7.957 916 H ASP 115 HN ASP 115 16.418 10.252 -7.048 917 HA ASP 115 HA ASP 115 19.178 10.016 -6.171 918 HB2 ASP 115 HB2 ASP 115 16.869 10.492 -4.313 919 HB3 ASP 115 HB1 ASP 115 18.246 9.531 -3.783 920 H1 ASP 453 HN ASP 453 -16.281 -14.282 -2.490 921 HA ASP 453 HA ASP 453 -17.476 -12.999 -0.179 922 HB2 ASP 453 HB2 ASP 453 -16.528 -15.441 -0.379 923 HB3 ASP 453 HB1 ASP 453 -14.987 -14.661 -0.038 924 H LEU 454 HN LEU 454 -16.636 -10.964 -1.570 925 HA LEU 454 HA LEU 454 -15.409 -9.053 -1.434 926 HB2 LEU 454 HB2 LEU 454 -15.399 -9.951 1.094 927 HB3 LEU 454 HB1 LEU 454 -13.681 -10.044 0.759 928 HG LEU 454 HG LEU 454 -13.902 -7.591 -0.012 929 HD11 LEU 454 HD11 LEU 454 -16.461 -7.952 1.532 930 HD12 LEU 454 HD12 LEU 454 -16.274 -7.389 -0.129 931 HD13 LEU 454 HD13 LEU 454 -15.718 -6.385 1.211 932 HD21 LEU 454 HD21 LEU 454 -14.076 -6.975 2.587 933 HD22 LEU 454 HD22 LEU 454 -12.647 -7.719 1.867 934 HD23 LEU 454 HD23 LEU 454 -13.826 -8.716 2.720 935 H ASP 455 HN ASP 455 -14.360 -11.789 -2.597 936 HA ASP 455 HA ASP 455 -11.520 -11.167 -2.771 937 HB2 ASP 455 HB2 ASP 455 -13.220 -13.519 -3.498 938 HB3 ASP 455 HB1 ASP 455 -11.663 -13.315 -4.295 939 H GLU 456 HN GLU 456 -14.102 -11.947 -5.110 940 HA GLU 456 HA GLU 456 -12.687 -10.940 -7.341 941 HB2 GLU 456 HB2 GLU 456 -14.631 -12.585 -7.342 942 HB3 GLU 456 HB1 GLU 456 -15.685 -11.192 -7.143 943 HG2 GLU 456 HG2 GLU 456 -14.658 -10.255 -9.238 944 HG3 GLU 456 HG1 GLU 456 -13.884 -11.823 -9.462 945 H SER 457 HN SER 457 -14.858 -9.480 -5.028 946 HA SER 457 HA SER 457 -15.406 -7.114 -6.498 947 HB2 SER 457 HB2 SER 457 -15.793 -8.043 -3.704 948 HB3 SER 457 HB1 SER 457 -15.770 -6.298 -3.959 949 HG SER 457 HG SER 457 -17.628 -6.418 -4.953 950 H TRP 458 HN TRP 458 -13.064 -7.875 -3.937 951 HA TRP 458 HA TRP 458 -11.909 -5.377 -3.629 952 HB2 TRP 458 HB2 TRP 458 -11.159 -8.144 -3.045 953 HB3 TRP 458 HB1 TRP 458 -9.771 -7.101 -3.339 954 HD1 TRP 458 HD1 TRP 458 -8.952 -7.008 -0.844 955 HE1 TRP 458 HE1 TRP 458 -9.898 -5.917 1.287 956 HE3 TRP 458 HE3 TRP 458 -13.659 -5.912 -2.512 957 HZ2 TRP 458 HZ2 TRP 458 -12.319 -4.748 2.147 958 HZ3 TRP 458 HZ3 TRP 458 -15.229 -4.808 -0.973 959 HH2 TRP 458 HH2 TRP 458 -14.571 -4.239 1.309 960 H ASP 459 HN ASP 459 -11.541 -7.679 -6.209 961 HA ASP 459 HA ASP 459 -9.139 -6.635 -7.304 962 HB2 ASP 459 HB2 ASP 459 -10.083 -8.912 -7.779 963 HB3 ASP 459 HB1 ASP 459 -11.318 -8.135 -8.766 964 H TYR 460 HN TYR 460 -12.423 -5.594 -7.411 965 HA TYR 460 HA TYR 460 -11.898 -3.863 -9.716 966 HB2 TYR 460 HB2 TYR 460 -14.478 -4.469 -8.260 967 HB3 TYR 460 HB1 TYR 460 -14.334 -3.415 -9.663 968 HD1 TYR 460 HD2 TYR 460 -12.962 -4.641 -11.679 969 HD2 TYR 460 HD1 TYR 460 -15.280 -6.580 -8.684 970 HE1 TYR 460 HE2 TYR 460 -13.252 -6.577 -13.166 971 HE2 TYR 460 HE1 TYR 460 -15.576 -8.522 -10.163 972 HH TYR 460 HH TYR 460 -15.528 -8.974 -12.642 973 H ILE 461 HN ILE 461 -11.423 -3.675 -6.493 974 HA ILE 461 HA ILE 461 -12.352 -0.907 -6.234 975 HB ILE 461 HB ILE 461 -11.172 -2.698 -4.108 976 HG12 ILE 461 HG12 ILE 461 -14.058 -2.017 -4.718 977 HG13 ILE 461 HG11 ILE 461 -13.298 -3.592 -4.924 978 HG21 ILE 461 HG21 ILE 461 -12.456 0.020 -4.024 979 HG22 ILE 461 HG22 ILE 461 -10.849 -0.448 -3.467 980 HG23 ILE 461 HG23 ILE 461 -12.280 -0.999 -2.595 981 HD11 ILE 461 HD11 ILE 461 -12.794 -3.329 -2.367 982 HD12 ILE 461 HD12 ILE 461 -14.368 -3.887 -2.933 983 HD13 ILE 461 HD13 ILE 461 -14.153 -2.207 -2.440 984 H PHE 462 HN PHE 462 -9.438 -2.863 -6.305 985 HA PHE 462 HA PHE 462 -7.824 -0.416 -6.032 986 HB2 PHE 462 HB2 PHE 462 -7.030 -3.305 -5.622 987 HB3 PHE 462 HB1 PHE 462 -5.946 -1.926 -5.470 988 HD1 PHE 462 HD1 PHE 462 -6.858 -0.039 -3.826 989 HD2 PHE 462 HD2 PHE 462 -7.951 -4.150 -3.703 990 HE1 PHE 462 HE1 PHE 462 -7.499 0.206 -1.463 991 HE2 PHE 462 HE2 PHE 462 -8.595 -3.912 -1.340 992 HZ PHE 462 HZ PHE 462 -8.369 -1.731 -0.217 993 H GLU 463 HN GLU 463 -9.145 -2.048 -8.442 994 HA GLU 463 HA GLU 463 -6.745 -2.181 -10.117 995 HB2 GLU 463 HB2 GLU 463 -8.163 -4.155 -10.173 996 HB3 GLU 463 HB1 GLU 463 -9.558 -3.175 -10.604 997 HG2 GLU 463 HG2 GLU 463 -8.291 -2.524 -12.690 998 HG3 GLU 463 HG1 GLU 463 -7.141 -3.794 -12.273 999 H THR 464 HN THR 464 -9.881 -0.597 -9.859 1000 HA THR 464 HA THR 464 -9.861 0.765 -12.306 1001 HB THR 464 HB THR 464 -11.333 2.444 -10.985 1002 HG1 THR 464 HG1 THR 464 -10.978 2.103 -8.913 1003 HG21 THR 464 HG21 THR 464 -13.237 0.968 -10.954 1004 HG22 THR 464 HG22 THR 464 -12.181 -0.441 -11.041 1005 HG23 THR 464 HG23 THR 464 -12.273 0.678 -12.401 1006 H THR 465 HN THR 465 -7.853 1.635 -12.760 1007 HA THR 465 HA THR 465 -7.364 4.251 -11.771 1008 HB THR 465 HB THR 465 -4.913 3.455 -11.062 1009 HG1 THR 465 HG1 THR 465 -6.566 1.306 -10.238 1010 HG21 THR 465 HG21 THR 465 -7.084 4.419 -9.687 1011 HG22 THR 465 HG22 THR 465 -5.461 4.181 -9.039 1012 HG23 THR 465 HG23 THR 465 -6.686 2.930 -8.828 Start of MODEL 11 1 H2 PRO 1 HT1 PRO 1 0.340 18.604 13.051 2 H3 PRO 1 HT2 PRO 1 1.296 18.577 14.390 3 HA PRO 1 HA PRO 1 2.163 16.868 13.678 4 HB2 PRO 1 HB2 PRO 1 -0.099 15.051 13.700 5 HB3 PRO 1 HB1 PRO 1 1.282 15.128 14.802 6 HG2 PRO 1 HG2 PRO 1 -1.243 15.830 15.534 7 HG3 PRO 1 HG1 PRO 1 0.214 16.537 16.255 8 HD2 PRO 1 HD2 PRO 1 -1.576 17.654 14.115 9 HD3 PRO 1 HD1 PRO 1 -0.866 18.470 15.522 10 H SER 2 HN SER 2 2.086 14.986 12.048 11 HA SER 2 HA SER 2 0.305 15.038 9.870 12 HB2 SER 2 HB2 SER 2 1.809 16.014 8.148 13 HB3 SER 2 HB1 SER 2 1.301 17.197 9.352 14 HG SER 2 HG SER 2 3.327 16.843 10.399 15 H HIS 3 HN HIS 3 1.606 14.037 7.822 16 HA HIS 3 HA HIS 3 2.582 12.160 6.990 17 HB2 HIS 3 HB2 HIS 3 4.412 12.938 9.215 18 HB3 HIS 3 HB1 HIS 3 4.642 11.363 8.462 19 HD1 HIS 3 HD1 HIS 3 3.931 14.795 6.962 20 HD2 HIS 3 HD2 HIS 3 6.639 11.657 6.673 21 HE1 HIS 3 HE1 HIS 3 5.518 15.444 5.122 22 HE2 HIS 3 HE2 HIS 3 7.096 13.491 4.908 23 H SER 4 HN SER 4 0.315 11.798 8.595 24 HA SER 4 HA SER 4 0.523 9.017 9.158 25 HB2 SER 4 HB2 SER 4 -0.126 9.195 11.584 26 HB3 SER 4 HB1 SER 4 1.525 9.707 11.232 27 HG SER 4 HG SER 4 0.363 11.164 12.612 28 H GLY 5 HN GLY 5 -1.629 8.389 10.503 29 HA2 GLY 5 HA2 GLY 5 -3.945 9.739 10.566 30 HA3 GLY 5 HA1 GLY 5 -3.781 9.416 8.847 31 H ALA 6 HN ALA 6 -5.915 8.468 10.391 32 HA ALA 6 HA ALA 6 -5.610 5.865 11.371 33 HB1 ALA 6 HB1 ALA 6 -8.150 5.787 10.555 34 HB2 ALA 6 HB2 ALA 6 -7.883 7.528 10.462 35 HB3 ALA 6 HB3 ALA 6 -7.636 6.678 11.987 36 H ALA 7 HN ALA 7 -5.570 3.887 10.448 37 HA ALA 7 HA ALA 7 -6.301 3.521 7.668 38 HB1 ALA 7 HB1 ALA 7 -4.195 2.785 6.879 39 HB2 ALA 7 HB2 ALA 7 -3.497 2.818 8.498 40 HB3 ALA 7 HB3 ALA 7 -3.909 4.327 7.685 41 H ILE 8 HN ILE 8 -7.198 1.579 7.394 42 HA ILE 8 HA ILE 8 -6.883 -0.403 9.539 43 HB ILE 8 HB ILE 8 -8.985 -0.439 7.382 44 HG12 ILE 8 HG12 ILE 8 -10.456 0.458 9.321 45 HG13 ILE 8 HG11 ILE 8 -8.936 1.008 10.019 46 HG21 ILE 8 HG21 ILE 8 -8.295 -2.425 8.998 47 HG22 ILE 8 HG22 ILE 8 -9.971 -2.133 8.532 48 HG23 ILE 8 HG23 ILE 8 -9.379 -1.568 10.094 49 HD11 ILE 8 HD11 ILE 8 -8.699 2.670 8.519 50 HD12 ILE 8 HD12 ILE 8 -10.451 2.504 8.406 51 HD13 ILE 8 HD13 ILE 8 -9.413 1.736 7.204 52 H PHE 9 HN PHE 9 -5.639 -2.101 9.179 53 HA PHE 9 HA PHE 9 -5.027 -2.853 6.408 54 HB2 PHE 9 HB2 PHE 9 -3.171 -2.291 8.073 55 HB3 PHE 9 HB1 PHE 9 -3.580 -3.801 8.880 56 HD1 PHE 9 HD2 PHE 9 -3.396 -2.993 5.253 57 HD2 PHE 9 HD1 PHE 9 -1.798 -5.223 8.506 58 HE1 PHE 9 HE2 PHE 9 -1.938 -4.215 3.693 59 HE2 PHE 9 HE1 PHE 9 -0.336 -6.449 6.952 60 HZ PHE 9 HZ PHE 9 -0.405 -5.946 4.542 61 H GLU 10 HN GLU 10 -6.187 -4.475 5.626 62 HA GLU 10 HA GLU 10 -7.131 -6.540 5.412 63 HB2 GLU 10 HB2 GLU 10 -6.297 -7.200 8.229 64 HB3 GLU 10 HB1 GLU 10 -6.599 -8.304 6.894 65 HG2 GLU 10 HG2 GLU 10 -4.579 -6.789 5.892 66 HG3 GLU 10 HG1 GLU 10 -4.179 -6.825 7.609 67 H LYS 11 HN LYS 11 -7.633 -5.102 8.641 68 HA LYS 11 HA LYS 11 -10.375 -4.727 8.297 69 HB2 LYS 11 HB2 LYS 11 -11.166 -6.493 9.954 70 HB3 LYS 11 HB1 LYS 11 -10.751 -7.053 8.340 71 HG2 LYS 11 HG2 LYS 11 -8.518 -7.718 9.215 72 HG3 LYS 11 HG1 LYS 11 -9.086 -7.303 10.833 73 HD2 LYS 11 HD2 LYS 11 -9.633 -9.503 10.868 74 HD3 LYS 11 HD1 LYS 11 -11.090 -8.906 10.070 75 HE2 LYS 11 HE2 LYS 11 -10.356 -9.592 7.959 76 HE3 LYS 11 HE1 LYS 11 -8.681 -9.741 8.491 77 HZ1 LYS 11 HZ1 LYS 11 -10.277 -11.820 8.206 78 HZ2 LYS 11 HZ2 LYS 11 -10.637 -11.447 9.816 79 HZ3 LYS 11 HZ3 LYS 11 -9.042 -11.779 9.362 80 H VAL 12 HN VAL 12 -7.702 -5.265 10.501 81 HA VAL 12 HA VAL 12 -8.915 -4.118 12.795 82 HB VAL 12 HB VAL 12 -5.967 -4.311 12.165 83 HG11 VAL 12 HG11 VAL 12 -7.529 -3.601 14.591 84 HG12 VAL 12 HG12 VAL 12 -5.991 -2.964 14.008 85 HG13 VAL 12 HG13 VAL 12 -6.051 -4.539 14.799 86 HG21 VAL 12 HG21 VAL 12 -6.820 -6.506 11.991 87 HG22 VAL 12 HG22 VAL 12 -7.881 -6.284 13.382 88 HG23 VAL 12 HG23 VAL 12 -6.135 -6.384 13.612 89 H SER 13 HN SER 13 -9.074 -2.063 13.461 90 HA SER 13 HA SER 13 -8.231 0.028 11.609 91 HB2 SER 13 HB2 SER 13 -9.719 0.748 14.068 92 HB3 SER 13 HB1 SER 13 -9.960 1.283 12.405 93 HG SER 13 HG SER 13 -10.932 -1.003 13.705 94 H GLY 14 HN GLY 14 -6.342 0.999 11.905 95 HA2 GLY 14 HA2 GLY 14 -5.492 1.610 14.652 96 HA3 GLY 14 HA1 GLY 14 -4.378 0.770 13.583 97 H ILE 15 HN ILE 15 -3.127 2.776 14.264 98 HA ILE 15 HA ILE 15 -3.781 5.048 12.510 99 HB ILE 15 HB ILE 15 -1.818 5.094 14.796 100 HG12 ILE 15 HG12 ILE 15 -3.985 4.502 15.724 101 HG13 ILE 15 HG11 ILE 15 -3.617 6.178 16.118 102 HG21 ILE 15 HG21 ILE 15 -3.292 7.491 13.894 103 HG22 ILE 15 HG22 ILE 15 -2.075 6.846 12.793 104 HG23 ILE 15 HG23 ILE 15 -1.621 7.318 14.431 105 HD11 ILE 15 HD11 ILE 15 -5.293 5.472 13.743 106 HD12 ILE 15 HD12 ILE 15 -5.196 6.999 14.621 107 HD13 ILE 15 HD13 ILE 15 -5.985 5.605 15.359 108 H ILE 16 HN ILE 16 -2.563 5.372 10.772 109 HA ILE 16 HA ILE 16 -0.024 3.923 10.553 110 HB ILE 16 HB ILE 16 -2.166 4.445 8.711 111 HG12 ILE 16 HG12 ILE 16 0.390 2.958 8.144 112 HG13 ILE 16 HG11 ILE 16 -0.836 2.317 9.234 113 HG21 ILE 16 HG21 ILE 16 0.541 5.342 7.734 114 HG22 ILE 16 HG22 ILE 16 -0.873 6.371 7.963 115 HG23 ILE 16 HG23 ILE 16 -0.893 5.106 6.734 116 HD11 ILE 16 HD11 ILE 16 -1.905 3.182 6.666 117 HD12 ILE 16 HD12 ILE 16 -2.145 1.676 7.551 118 HD13 ILE 16 HD13 ILE 16 -0.713 1.888 6.544 119 H ALA 17 HN ALA 17 1.870 4.950 10.515 120 HA ALA 17 HA ALA 17 1.924 7.830 9.947 121 HB1 ALA 17 HB1 ALA 17 3.507 6.659 12.216 122 HB2 ALA 17 HB2 ALA 17 1.889 7.322 12.441 123 HB3 ALA 17 HB3 ALA 17 3.192 8.356 11.855 124 H ILE 18 HN ILE 18 3.357 8.255 8.411 125 HA ILE 18 HA ILE 18 5.368 6.271 7.722 126 HB ILE 18 HB ILE 18 4.819 8.893 6.335 127 HG12 ILE 18 HG12 ILE 18 3.644 6.159 5.784 128 HG13 ILE 18 HG11 ILE 18 2.768 7.546 6.424 129 HG21 ILE 18 HG21 ILE 18 6.880 8.109 5.589 130 HG22 ILE 18 HG22 ILE 18 5.746 7.497 4.384 131 HG23 ILE 18 HG23 ILE 18 6.365 6.423 5.639 132 HD11 ILE 18 HD11 ILE 18 2.347 7.198 4.044 133 HD12 ILE 18 HD12 ILE 18 4.066 7.406 3.714 134 HD13 ILE 18 HD13 ILE 18 3.122 8.751 4.354 135 H ASN 19 HN ASN 19 7.517 6.484 8.004 136 HA ASN 19 HA ASN 19 8.464 8.955 9.298 137 HB2 ASN 19 HB2 ASN 19 9.057 6.079 9.765 138 HB3 ASN 19 HB1 ASN 19 10.390 7.214 9.956 139 HD21 ASN 19 HD21 ASN 19 9.874 9.149 11.325 140 HD22 ASN 19 HD22 ASN 19 8.940 8.871 12.752 141 H GLU 20 HN GLU 20 9.530 10.191 7.903 142 HA GLU 20 HA GLU 20 11.094 8.927 5.770 143 HB2 GLU 20 HB2 GLU 20 11.205 11.333 4.905 144 HB3 GLU 20 HB1 GLU 20 9.644 10.528 4.846 145 HG2 GLU 20 HG2 GLU 20 8.707 11.967 6.276 146 HG3 GLU 20 HG1 GLU 20 10.131 12.019 7.314 147 H ASP 21 HN ASP 21 11.990 9.027 8.554 148 HA ASP 21 HA ASP 21 14.114 10.999 8.602 149 HB2 ASP 21 HB2 ASP 21 14.655 10.025 10.805 150 HB3 ASP 21 HB1 ASP 21 12.956 10.473 10.686 151 H VAL 22 HN VAL 22 13.716 7.558 8.060 152 HA VAL 22 HA VAL 22 16.609 7.228 7.752 153 HB VAL 22 HB VAL 22 15.361 5.581 9.128 154 HG11 VAL 22 HG11 VAL 22 14.265 4.169 6.806 155 HG12 VAL 22 HG12 VAL 22 13.455 5.686 7.197 156 HG13 VAL 22 HG13 VAL 22 13.584 4.416 8.414 157 HG21 VAL 22 HG21 VAL 22 16.931 4.093 8.617 158 HG22 VAL 22 HG22 VAL 22 17.355 5.121 7.249 159 HG23 VAL 22 HG23 VAL 22 16.222 3.789 7.032 160 H SER 23 HN SER 23 17.533 6.428 5.849 161 HA SER 23 HA SER 23 16.667 7.464 3.462 162 HB2 SER 23 HB2 SER 23 18.600 5.331 4.206 163 HB3 SER 23 HB1 SER 23 18.124 5.430 2.511 164 HG SER 23 HG SER 23 19.969 6.816 3.559 165 HA PRO 24 HA PRO 24 14.860 3.190 2.004 166 HB2 PRO 24 HB2 PRO 24 14.379 1.402 4.054 167 HB3 PRO 24 HB1 PRO 24 15.784 1.355 2.985 168 HG2 PRO 24 HG2 PRO 24 15.535 2.487 5.741 169 HG3 PRO 24 HG1 PRO 24 16.866 1.557 5.026 170 HD2 PRO 24 HD2 PRO 24 17.021 4.217 5.302 171 HD3 PRO 24 HD1 PRO 24 17.703 3.397 3.883 172 H ALA 25 HN ALA 25 14.040 4.823 4.943 173 HA ALA 25 HA ALA 25 12.064 5.548 5.809 174 HB1 ALA 25 HB1 ALA 25 11.851 6.070 3.229 175 HB2 ALA 25 HB2 ALA 25 10.497 6.310 4.333 176 HB3 ALA 25 HB3 ALA 25 10.572 4.860 3.332 177 H GLU 26 HN GLU 26 10.000 4.827 6.641 178 HA GLU 26 HA GLU 26 9.126 2.137 6.115 179 HB2 GLU 26 HB2 GLU 26 10.829 2.770 8.446 180 HB3 GLU 26 HB1 GLU 26 9.394 1.815 8.792 181 HG2 GLU 26 HG2 GLU 26 10.277 -0.018 7.903 182 HG3 GLU 26 HG1 GLU 26 10.823 0.843 6.465 183 H LEU 27 HN LEU 27 7.043 1.781 6.761 184 HA LEU 27 HA LEU 27 5.683 4.073 8.004 185 HB2 LEU 27 HB2 LEU 27 4.854 3.610 5.804 186 HB3 LEU 27 HB1 LEU 27 4.685 1.903 6.165 187 HG LEU 27 HG LEU 27 3.109 3.886 7.752 188 HD11 LEU 27 HD11 LEU 27 1.333 3.209 5.852 189 HD12 LEU 27 HD12 LEU 27 2.802 3.297 4.880 190 HD13 LEU 27 HD13 LEU 27 2.280 4.697 5.818 191 HD21 LEU 27 HD21 LEU 27 1.561 1.695 7.142 192 HD22 LEU 27 HD22 LEU 27 2.477 1.932 8.629 193 HD23 LEU 27 HD23 LEU 27 3.178 1.009 7.300 194 H THR 28 HN THR 28 5.106 3.837 10.054 195 HA THR 28 HA THR 28 4.852 1.142 11.169 196 HB THR 28 HB THR 28 4.609 2.794 13.312 197 HG1 THR 28 HG1 THR 28 5.566 4.650 12.993 198 HG21 THR 28 HG21 THR 28 7.067 1.702 12.003 199 HG22 THR 28 HG22 THR 28 6.224 1.129 13.443 200 HG23 THR 28 HG23 THR 28 7.151 2.629 13.501 201 H TRP 29 HN TRP 29 2.919 0.274 11.425 202 HA TRP 29 HA TRP 29 0.586 2.057 11.674 203 HB2 TRP 29 HB2 TRP 29 0.403 0.812 9.639 204 HB3 TRP 29 HB1 TRP 29 0.849 -0.689 10.442 205 HD1 TRP 29 HD1 TRP 29 -2.037 1.906 10.768 206 HE1 TRP 29 HE1 TRP 29 -4.219 0.601 11.169 207 HE3 TRP 29 HE3 TRP 29 -0.142 -2.842 10.844 208 HZ2 TRP 29 HZ2 TRP 29 -5.029 -2.086 11.478 209 HZ3 TRP 29 HZ3 TRP 29 -1.687 -4.723 11.198 210 HH2 TRP 29 HH2 TRP 29 -4.080 -4.351 11.509 211 H ARG 30 HN ARG 30 -0.016 2.179 13.738 212 HA ARG 30 HA ARG 30 0.257 -0.182 15.454 213 HB2 ARG 30 HB2 ARG 30 -0.504 2.587 16.359 214 HB3 ARG 30 HB1 ARG 30 0.164 1.274 17.319 215 HG2 ARG 30 HG2 ARG 30 2.276 1.483 16.023 216 HG3 ARG 30 HG1 ARG 30 1.592 2.904 15.230 217 HD2 ARG 30 HD2 ARG 30 2.687 3.951 16.923 218 HD3 ARG 30 HD1 ARG 30 1.167 3.622 17.754 219 HE ARG 30 HE ARG 30 3.003 1.479 18.082 220 HH11 ARG 30 HH11 ARG 30 2.287 4.706 19.201 221 HH12 ARG 30 HH12 ARG 30 3.036 4.472 20.745 222 HH21 ARG 30 HH21 ARG 30 3.988 1.169 20.112 223 HH22 ARG 30 HH22 ARG 30 4.002 2.464 21.262 224 H SER 31 HN SER 31 -1.464 -1.053 16.583 225 HA SER 31 HA SER 31 -4.031 -0.767 15.348 226 HB2 SER 31 HB2 SER 31 -3.522 -2.964 16.033 227 HB3 SER 31 HB1 SER 31 -2.980 -2.434 17.625 228 HG SER 31 HG SER 31 -5.103 -2.012 18.181 229 H THR 32 HN THR 32 -5.895 0.115 16.170 230 HA THR 32 HA THR 32 -5.610 2.289 17.973 231 HB THR 32 HB THR 32 -8.130 0.980 16.929 232 HG1 THR 32 HG1 THR 32 -7.960 2.305 15.240 233 HG21 THR 32 HG21 THR 32 -8.859 3.498 17.195 234 HG22 THR 32 HG22 THR 32 -7.661 3.455 18.488 235 HG23 THR 32 HG23 THR 32 -9.024 2.337 18.512 236 H ASP 33 HN ASP 33 -6.975 -0.957 18.264 237 HA ASP 33 HA ASP 33 -7.545 -0.478 21.095 238 HB2 ASP 33 HB2 ASP 33 -8.503 -2.422 19.060 239 HB3 ASP 33 HB1 ASP 33 -8.425 -2.983 20.728 240 H GLY 34 HN GLY 34 -6.341 -3.332 19.331 241 HA2 GLY 34 HA2 GLY 34 -4.916 -4.391 21.493 242 HA3 GLY 34 HA1 GLY 34 -4.636 -4.792 19.805 243 H ASP 35 HN ASP 35 -2.400 -4.965 20.830 244 HA ASP 35 HA ASP 35 -1.044 -2.379 20.475 245 HB2 ASP 35 HB2 ASP 35 -1.218 -3.098 22.905 246 HB3 ASP 35 HB1 ASP 35 -0.167 -4.449 22.491 247 H LYS 36 HN LYS 36 -0.916 -3.378 18.267 248 HA LYS 36 HA LYS 36 1.584 -4.888 18.067 249 HB2 LYS 36 HB2 LYS 36 -0.163 -6.563 17.855 250 HB3 LYS 36 HB1 LYS 36 -0.981 -5.599 16.634 251 HG2 LYS 36 HG2 LYS 36 1.823 -6.332 16.069 252 HG3 LYS 36 HG1 LYS 36 0.639 -7.641 16.053 253 HD2 LYS 36 HD2 LYS 36 -0.261 -5.241 14.652 254 HD3 LYS 36 HD1 LYS 36 1.196 -5.954 13.956 255 HE2 LYS 36 HE2 LYS 36 -0.465 -7.086 12.827 256 HE3 LYS 36 HE1 LYS 36 -0.126 -8.186 14.162 257 HZ1 LYS 36 HZ1 LYS 36 -2.261 -6.151 14.346 258 HZ2 LYS 36 HZ2 LYS 36 -2.062 -7.556 15.267 259 HZ3 LYS 36 HZ3 LYS 36 -2.546 -7.667 13.650 260 H VAL 37 HN VAL 37 2.942 -3.950 16.688 261 HA VAL 37 HA VAL 37 1.842 -2.023 14.755 262 HB VAL 37 HB VAL 37 4.034 -0.942 14.754 263 HG11 VAL 37 HG11 VAL 37 2.195 -0.463 16.483 264 HG12 VAL 37 HG12 VAL 37 3.811 0.173 16.789 265 HG13 VAL 37 HG13 VAL 37 3.259 -1.275 17.631 266 HG21 VAL 37 HG21 VAL 37 5.775 -2.265 15.249 267 HG22 VAL 37 HG22 VAL 37 4.789 -3.360 16.219 268 HG23 VAL 37 HG23 VAL 37 5.409 -1.868 16.928 269 H HIS 38 HN HIS 38 2.659 -1.954 12.636 270 HA HIS 38 HA HIS 38 4.187 -4.326 11.795 271 HB2 HIS 38 HB2 HIS 38 1.691 -4.425 11.282 272 HB3 HIS 38 HB1 HIS 38 1.972 -3.104 10.153 273 HD1 HIS 38 HD1 HIS 38 2.179 -6.745 10.473 274 HD2 HIS 38 HD2 HIS 38 3.729 -3.821 7.961 275 HE1 HIS 38 HE1 HIS 38 3.011 -7.975 8.444 276 HE2 HIS 38 HE2 HIS 38 4.023 -6.194 6.976 277 H THR 39 HN THR 39 6.098 -3.609 11.121 278 HA THR 39 HA THR 39 6.362 -0.972 9.939 279 HB THR 39 HB THR 39 8.692 -2.800 10.044 280 HG1 THR 39 HG1 THR 39 8.875 -2.547 12.286 281 HG21 THR 39 HG21 THR 39 8.259 -0.013 9.966 282 HG22 THR 39 HG22 THR 39 9.790 -0.890 9.981 283 HG23 THR 39 HG23 THR 39 9.043 -0.392 11.500 284 H VAL 40 HN VAL 40 6.163 -0.642 7.835 285 HA VAL 40 HA VAL 40 6.948 -2.799 5.987 286 HB VAL 40 HB VAL 40 4.505 -2.612 6.042 287 HG11 VAL 40 HG11 VAL 40 3.313 -0.676 5.706 288 HG12 VAL 40 HG12 VAL 40 4.631 0.114 4.840 289 HG13 VAL 40 HG13 VAL 40 4.708 -0.062 6.593 290 HG21 VAL 40 HG21 VAL 40 5.364 -3.324 3.965 291 HG22 VAL 40 HG22 VAL 40 5.892 -1.697 3.536 292 HG23 VAL 40 HG23 VAL 40 4.172 -2.083 3.581 293 H VAL 41 HN VAL 41 8.764 -2.149 5.030 294 HA VAL 41 HA VAL 41 9.650 0.495 4.797 295 HB VAL 41 HB VAL 41 10.444 -1.788 2.988 296 HG11 VAL 41 HG11 VAL 41 11.477 0.925 3.509 297 HG12 VAL 41 HG12 VAL 41 11.576 -0.070 2.057 298 HG13 VAL 41 HG13 VAL 41 12.683 -0.356 3.399 299 HG21 VAL 41 HG21 VAL 41 10.973 -1.291 5.844 300 HG22 VAL 41 HG22 VAL 41 12.378 -1.717 4.867 301 HG23 VAL 41 HG23 VAL 41 10.987 -2.800 4.931 302 H LEU 42 HN LEU 42 9.035 2.096 3.511 303 HA LEU 42 HA LEU 42 7.151 1.623 1.384 304 HB2 LEU 42 HB2 LEU 42 8.453 4.139 2.417 305 HB3 LEU 42 HB1 LEU 42 7.275 4.118 1.119 306 HG LEU 42 HG LEU 42 6.725 3.120 3.913 307 HD11 LEU 42 HD11 LEU 42 7.196 5.546 3.847 308 HD12 LEU 42 HD12 LEU 42 5.530 5.174 4.288 309 HD13 LEU 42 HD13 LEU 42 5.907 5.734 2.659 310 HD21 LEU 42 HD21 LEU 42 4.514 3.948 2.191 311 HD22 LEU 42 HD22 LEU 42 4.690 2.515 3.203 312 HD23 LEU 42 HD23 LEU 42 5.401 2.547 1.589 313 H SER 43 HN SER 43 10.564 2.205 1.675 314 HA SER 43 HA SER 43 11.168 3.186 -0.857 315 HB2 SER 43 HB2 SER 43 12.659 1.655 1.216 316 HB3 SER 43 HB1 SER 43 13.360 1.725 -0.400 317 HG SER 43 HG SER 43 14.009 3.646 0.105 318 H THR 44 HN THR 44 10.413 -0.063 0.195 319 HA THR 44 HA THR 44 11.319 -1.457 -2.078 320 HB THR 44 HB THR 44 9.625 -3.196 -1.340 321 HG1 THR 44 HG1 THR 44 8.073 -2.168 -0.280 322 HG21 THR 44 HG21 THR 44 10.689 -3.567 0.925 323 HG22 THR 44 HG22 THR 44 11.631 -2.111 0.603 324 HG23 THR 44 HG23 THR 44 11.773 -3.508 -0.464 325 H ILE 45 HN ILE 45 8.426 0.380 -1.440 326 HA ILE 45 HA ILE 45 6.775 -0.613 -3.476 327 HB ILE 45 HB ILE 45 6.848 2.232 -2.466 328 HG12 ILE 45 HG12 ILE 45 6.688 0.729 -0.570 329 HG13 ILE 45 HG11 ILE 45 5.116 1.470 -0.851 330 HG21 ILE 45 HG21 ILE 45 4.465 2.233 -3.068 331 HG22 ILE 45 HG22 ILE 45 4.642 0.606 -3.725 332 HG23 ILE 45 HG23 ILE 45 5.504 1.954 -4.466 333 HD11 ILE 45 HD11 ILE 45 4.920 -0.807 -2.324 334 HD12 ILE 45 HD12 ILE 45 4.344 -0.613 -0.668 335 HD13 ILE 45 HD13 ILE 45 5.926 -1.331 -0.974 336 H ASP 46 HN ASP 46 6.277 0.243 -5.547 337 HA ASP 46 HA ASP 46 8.476 1.774 -6.776 338 HB2 ASP 46 HB2 ASP 46 8.286 -0.705 -7.400 339 HB3 ASP 46 HB1 ASP 46 6.808 -0.261 -8.249 340 H LYS 47 HN LYS 47 5.031 0.945 -7.011 341 HA LYS 47 HA LYS 47 4.552 3.633 -8.099 342 HB2 LYS 47 HB2 LYS 47 4.022 2.603 -10.036 343 HB3 LYS 47 HB1 LYS 47 3.903 1.026 -9.273 344 HG2 LYS 47 HG2 LYS 47 1.648 1.453 -8.598 345 HG3 LYS 47 HG1 LYS 47 1.753 3.129 -9.141 346 HD2 LYS 47 HD2 LYS 47 1.754 2.523 -11.396 347 HD3 LYS 47 HD1 LYS 47 2.216 0.856 -11.042 348 HE2 LYS 47 HE2 LYS 47 -0.406 2.018 -10.145 349 HE3 LYS 47 HE1 LYS 47 -0.203 1.280 -11.733 350 HZ1 LYS 47 HZ1 LYS 47 0.825 -0.613 -10.179 351 HZ2 LYS 47 HZ2 LYS 47 -0.808 -0.560 -10.616 352 HZ3 LYS 47 HZ3 LYS 47 -0.316 0.037 -9.112 353 H LEU 48 HN LEU 48 2.396 4.466 -7.691 354 HA LEU 48 HA LEU 48 1.273 3.380 -5.198 355 HB2 LEU 48 HB2 LEU 48 1.285 6.172 -6.332 356 HB3 LEU 48 HB1 LEU 48 0.292 5.703 -4.965 357 HG LEU 48 HG LEU 48 2.720 4.865 -4.104 358 HD11 LEU 48 HD11 LEU 48 4.039 7.135 -4.673 359 HD12 LEU 48 HD12 LEU 48 3.175 6.895 -6.192 360 HD13 LEU 48 HD13 LEU 48 4.244 5.634 -5.577 361 HD21 LEU 48 HD21 LEU 48 2.792 7.205 -2.988 362 HD22 LEU 48 HD22 LEU 48 1.438 6.126 -2.649 363 HD23 LEU 48 HD23 LEU 48 1.245 7.448 -3.800 364 H GLN 49 HN GLN 49 -0.878 2.922 -5.036 365 HA GLN 49 HA GLN 49 -2.623 3.559 -7.297 366 HB2 GLN 49 HB2 GLN 49 -1.617 1.266 -7.609 367 HB3 GLN 49 HB1 GLN 49 -2.457 0.773 -6.145 368 HG2 GLN 49 HG2 GLN 49 -4.583 1.137 -7.148 369 HG3 GLN 49 HG1 GLN 49 -3.850 1.905 -8.556 370 HE21 GLN 49 HE21 GLN 49 -3.183 -1.094 -6.781 371 HE22 GLN 49 HE22 GLN 49 -3.284 -2.134 -8.157 372 H ALA 50 HN ALA 50 -4.756 3.840 -6.772 373 HA ALA 50 HA ALA 50 -5.780 3.059 -4.190 374 HB1 ALA 50 HB1 ALA 50 -5.979 5.984 -4.678 375 HB2 ALA 50 HB2 ALA 50 -4.460 5.345 -4.051 376 HB3 ALA 50 HB3 ALA 50 -5.959 5.088 -3.159 377 H THR 51 HN THR 51 -8.085 3.809 -3.921 378 HA THR 51 HA THR 51 -9.541 3.189 -6.285 379 HB THR 51 HB THR 51 -11.502 3.354 -4.937 380 HG1 THR 51 HG1 THR 51 -11.270 5.290 -3.922 381 HG21 THR 51 HG21 THR 51 -11.075 1.952 -3.107 382 HG22 THR 51 HG22 THR 51 -9.415 2.527 -2.950 383 HG23 THR 51 HG23 THR 51 -9.875 1.522 -4.325 384 HA PRO 52 HA PRO 52 -10.127 7.206 -8.015 385 HB2 PRO 52 HB2 PRO 52 -12.517 6.885 -9.257 386 HB3 PRO 52 HB1 PRO 52 -11.023 6.149 -9.851 387 HG2 PRO 52 HG2 PRO 52 -13.223 4.926 -8.229 388 HG3 PRO 52 HG1 PRO 52 -12.349 4.252 -9.617 389 HD2 PRO 52 HD2 PRO 52 -11.771 3.574 -7.059 390 HD3 PRO 52 HD1 PRO 52 -10.538 3.630 -8.335 391 H ALA 53 HN ALA 53 -11.356 9.133 -7.832 392 HA ALA 53 HA ALA 53 -12.511 9.585 -5.314 393 HB1 ALA 53 HB1 ALA 53 -11.433 11.318 -6.732 394 HB2 ALA 53 HB2 ALA 53 -13.007 11.800 -6.100 395 HB3 ALA 53 HB3 ALA 53 -12.851 11.286 -7.780 396 H SER 54 HN SER 54 -13.925 8.800 -8.429 397 HA SER 54 HA SER 54 -16.610 9.393 -7.769 398 HB2 SER 54 HB2 SER 54 -15.303 7.685 -9.870 399 HB3 SER 54 HB1 SER 54 -17.056 7.688 -9.681 400 HG SER 54 HG SER 54 -17.084 9.509 -10.706 401 H SER 55 HN SER 55 -14.574 6.602 -7.242 402 HA SER 55 HA SER 55 -16.694 4.821 -6.535 403 HB2 SER 55 HB2 SER 55 -14.650 3.843 -7.307 404 HB3 SER 55 HB1 SER 55 -13.705 4.714 -6.099 405 HG SER 55 HG SER 55 -15.371 2.480 -5.796 406 H GLU 56 HN GLU 56 -17.774 4.702 -4.685 407 HA GLU 56 HA GLU 56 -17.418 6.520 -2.583 408 HB2 GLU 56 HB2 GLU 56 -19.502 5.155 -3.222 409 HB3 GLU 56 HB1 GLU 56 -18.794 3.862 -2.265 410 HG2 GLU 56 HG2 GLU 56 -18.630 5.734 -0.437 411 HG3 GLU 56 HG1 GLU 56 -19.912 6.475 -1.394 412 H LYS 57 HN LYS 57 -16.127 3.321 -3.125 413 HA LYS 57 HA LYS 57 -15.181 2.969 -0.436 414 HB2 LYS 57 HB2 LYS 57 -14.763 1.493 -3.021 415 HB3 LYS 57 HB1 LYS 57 -13.824 1.093 -1.589 416 HG2 LYS 57 HG2 LYS 57 -16.831 1.099 -1.676 417 HG3 LYS 57 HG1 LYS 57 -15.834 -0.331 -1.950 418 HD2 LYS 57 HD2 LYS 57 -15.243 1.205 0.499 419 HD3 LYS 57 HD1 LYS 57 -16.804 0.382 0.463 420 HE2 LYS 57 HE2 LYS 57 -14.460 -1.179 -0.436 421 HE3 LYS 57 HE1 LYS 57 -14.535 -0.792 1.283 422 HZ1 LYS 57 HZ1 LYS 57 -16.903 -1.907 -0.060 423 HZ2 LYS 57 HZ2 LYS 57 -16.445 -2.013 1.564 424 HZ3 LYS 57 HZ3 LYS 57 -15.643 -2.940 0.399 425 H MET 58 HN MET 58 -13.512 4.018 0.396 426 HA MET 58 HA MET 58 -11.408 4.999 -1.407 427 HB2 MET 58 HB2 MET 58 -11.864 5.888 1.436 428 HB3 MET 58 HB1 MET 58 -10.931 6.697 0.185 429 HG2 MET 58 HG2 MET 58 -12.872 7.361 -0.973 430 HG3 MET 58 HG1 MET 58 -13.895 6.281 -0.028 431 HE1 MET 58 HE1 MET 58 -13.960 8.006 3.461 432 HE2 MET 58 HE2 MET 58 -12.749 6.823 2.968 433 HE3 MET 58 HE3 MET 58 -14.436 6.607 2.498 434 H MET 59 HN MET 59 -9.612 3.835 -1.454 435 HA MET 59 HA MET 59 -8.421 2.894 1.018 436 HB2 MET 59 HB2 MET 59 -9.244 1.015 -1.198 437 HB3 MET 59 HB1 MET 59 -8.087 0.589 0.056 438 HG2 MET 59 HG2 MET 59 -9.996 1.293 1.675 439 HG3 MET 59 HG1 MET 59 -11.025 1.046 0.266 440 HE1 MET 59 HE1 MET 59 -10.248 -2.271 -0.954 441 HE2 MET 59 HE2 MET 59 -11.172 -0.773 -1.059 442 HE3 MET 59 HE3 MET 59 -11.811 -2.140 -0.147 443 H LEU 60 HN LEU 60 -6.200 2.510 0.865 444 HA LEU 60 HA LEU 60 -4.980 3.425 -1.656 445 HB2 LEU 60 HB2 LEU 60 -4.727 4.739 0.585 446 HB3 LEU 60 HB1 LEU 60 -3.567 3.487 0.984 447 HG LEU 60 HG LEU 60 -2.437 4.099 -1.254 448 HD11 LEU 60 HD11 LEU 60 -4.464 5.521 -1.905 449 HD12 LEU 60 HD12 LEU 60 -2.859 6.192 -2.195 450 HD13 LEU 60 HD13 LEU 60 -3.802 6.731 -0.805 451 HD21 LEU 60 HD21 LEU 60 -2.427 5.960 1.118 452 HD22 LEU 60 HD22 LEU 60 -1.218 5.965 -0.166 453 HD23 LEU 60 HD23 LEU 60 -1.401 4.548 0.868 454 H ARG 61 HN ARG 61 -3.566 2.136 -2.680 455 HA ARG 61 HA ARG 61 -2.475 -0.182 -1.247 456 HB2 ARG 61 HB2 ARG 61 -4.436 -0.956 -2.497 457 HB3 ARG 61 HB1 ARG 61 -3.775 -0.273 -3.975 458 HG2 ARG 61 HG2 ARG 61 -1.857 -1.819 -3.788 459 HG3 ARG 61 HG1 ARG 61 -2.622 -2.545 -2.373 460 HD2 ARG 61 HD2 ARG 61 -4.657 -2.669 -4.135 461 HD3 ARG 61 HD1 ARG 61 -3.286 -2.801 -5.236 462 HE ARG 61 HE ARG 61 -2.693 -4.600 -3.312 463 HH11 ARG 61 HH11 ARG 61 -5.537 -4.062 -5.262 464 HH12 ARG 61 HH12 ARG 61 -6.006 -5.728 -5.260 465 HH21 ARG 61 HH21 ARG 61 -3.309 -6.793 -3.310 466 HH22 ARG 61 HH22 ARG 61 -4.742 -7.279 -4.152 467 H LEU 62 HN LEU 62 -0.348 -0.325 -1.480 468 HA LEU 62 HA LEU 62 0.925 1.166 -3.665 469 HB2 LEU 62 HB2 LEU 62 2.282 0.039 -1.225 470 HB3 LEU 62 HB1 LEU 62 2.901 1.244 -2.337 471 HG LEU 62 HG LEU 62 2.316 2.433 -0.396 472 HD11 LEU 62 HD11 LEU 62 1.208 3.070 -2.761 473 HD12 LEU 62 HD12 LEU 62 1.045 4.055 -1.307 474 HD13 LEU 62 HD13 LEU 62 -0.242 2.940 -1.766 475 HD21 LEU 62 HD21 LEU 62 0.656 1.928 1.038 476 HD22 LEU 62 HD22 LEU 62 0.689 0.371 0.209 477 HD23 LEU 62 HD23 LEU 62 -0.501 1.590 -0.250 478 H ILE 63 HN ILE 63 2.372 0.216 -5.054 479 HA ILE 63 HA ILE 63 2.334 -2.719 -5.084 480 HB ILE 63 HB ILE 63 3.203 -0.914 -7.336 481 HG12 ILE 63 HG12 ILE 63 0.899 -0.353 -6.787 482 HG13 ILE 63 HG11 ILE 63 0.941 -1.276 -8.286 483 HG21 ILE 63 HG21 ILE 63 2.672 -3.828 -7.019 484 HG22 ILE 63 HG22 ILE 63 3.982 -3.005 -7.866 485 HG23 ILE 63 HG23 ILE 63 2.370 -3.064 -8.580 486 HD11 ILE 63 HD11 ILE 63 0.166 -2.278 -5.560 487 HD12 ILE 63 HD12 ILE 63 0.349 -3.302 -6.984 488 HD13 ILE 63 HD13 ILE 63 -0.886 -2.043 -6.956 489 H GLY 64 HN GLY 64 4.133 -3.880 -4.771 490 HA2 GLY 64 HA2 GLY 64 6.563 -2.520 -4.030 491 HA3 GLY 64 HA1 GLY 64 6.288 -4.255 -4.005 492 H LYS 65 HN LYS 65 8.689 -3.238 -4.862 493 HA LYS 65 HA LYS 65 8.736 -2.988 -7.722 494 HB2 LYS 65 HB2 LYS 65 10.895 -3.275 -5.638 495 HB3 LYS 65 HB1 LYS 65 11.250 -3.198 -7.358 496 HG2 LYS 65 HG2 LYS 65 10.389 -0.993 -7.524 497 HG3 LYS 65 HG1 LYS 65 9.705 -1.072 -5.900 498 HD2 LYS 65 HD2 LYS 65 11.727 -0.750 -4.884 499 HD3 LYS 65 HD1 LYS 65 12.629 -1.507 -6.198 500 HE2 LYS 65 HE2 LYS 65 13.212 0.639 -6.623 501 HE3 LYS 65 HE1 LYS 65 11.683 0.629 -7.501 502 HZ1 LYS 65 HZ1 LYS 65 11.298 2.432 -6.235 503 HZ2 LYS 65 HZ2 LYS 65 12.392 1.977 -5.028 504 HZ3 LYS 65 HZ3 LYS 65 10.846 1.293 -5.068 505 H VAL 66 HN VAL 66 8.889 -4.554 -9.194 506 HA VAL 66 HA VAL 66 8.858 -7.305 -8.354 507 HB VAL 66 HB VAL 66 7.467 -6.554 -10.233 508 HG11 VAL 66 HG11 VAL 66 9.557 -5.058 -11.020 509 HG12 VAL 66 HG12 VAL 66 8.228 -5.514 -12.085 510 HG13 VAL 66 HG13 VAL 66 9.735 -6.430 -12.113 511 HG21 VAL 66 HG21 VAL 66 9.508 -8.459 -11.336 512 HG22 VAL 66 HG22 VAL 66 7.760 -8.448 -11.575 513 HG23 VAL 66 HG23 VAL 66 8.434 -8.916 -10.013 514 H ASP 67 HN ASP 67 10.367 -8.908 -8.874 515 HA ASP 67 HA ASP 67 12.982 -7.977 -9.838 516 HB2 ASP 67 HB2 ASP 67 12.471 -9.667 -7.384 517 HB3 ASP 67 HB1 ASP 67 14.058 -9.453 -8.116 518 H GLU 68 HN GLU 68 12.844 -8.967 -11.806 519 HA GLU 68 HA GLU 68 11.879 -11.622 -12.167 520 HB2 GLU 68 HB2 GLU 68 13.261 -9.607 -13.890 521 HB3 GLU 68 HB1 GLU 68 13.180 -11.276 -14.435 522 HG2 GLU 68 HG2 GLU 68 10.661 -11.088 -13.988 523 HG3 GLU 68 HG1 GLU 68 10.944 -9.348 -13.950 524 H SER 69 HN SER 69 15.128 -10.468 -13.035 525 HA SER 69 HA SER 69 16.239 -13.080 -12.601 526 HB2 SER 69 HB2 SER 69 16.936 -11.185 -14.308 527 HB3 SER 69 HB1 SER 69 17.967 -10.668 -12.974 528 HG SER 69 HG SER 69 19.218 -12.098 -13.983 529 H LYS 70 HN LYS 70 15.483 -13.055 -10.285 530 HA LYS 70 HA LYS 70 17.739 -12.357 -8.602 531 HB2 LYS 70 HB2 LYS 70 14.975 -11.226 -8.167 532 HB3 LYS 70 HB1 LYS 70 16.188 -11.302 -6.897 533 HG2 LYS 70 HG2 LYS 70 16.583 -9.878 -9.518 534 HG3 LYS 70 HG1 LYS 70 16.023 -9.099 -8.036 535 HD2 LYS 70 HD2 LYS 70 18.468 -10.707 -7.748 536 HD3 LYS 70 HD1 LYS 70 18.626 -9.290 -8.789 537 HE2 LYS 70 HE2 LYS 70 17.302 -8.183 -6.742 538 HE3 LYS 70 HE1 LYS 70 18.141 -9.470 -5.876 539 HZ1 LYS 70 HZ1 LYS 70 19.664 -7.783 -7.732 540 HZ2 LYS 70 HZ2 LYS 70 20.179 -8.571 -6.327 541 HZ3 LYS 70 HZ3 LYS 70 19.256 -7.158 -6.214 542 H LYS 71 HN LYS 71 14.335 -13.402 -8.339 543 HA LYS 71 HA LYS 71 13.368 -15.193 -7.325 544 HB2 LYS 71 HB2 LYS 71 16.090 -16.456 -7.697 545 HB3 LYS 71 HB1 LYS 71 14.598 -17.315 -7.340 546 HG2 LYS 71 HG2 LYS 71 14.747 -15.592 -9.767 547 HG3 LYS 71 HG1 LYS 71 15.500 -17.188 -9.779 548 HD2 LYS 71 HD2 LYS 71 13.354 -18.188 -9.117 549 HD3 LYS 71 HD1 LYS 71 12.610 -16.588 -9.149 550 HE2 LYS 71 HE2 LYS 71 12.054 -17.216 -11.249 551 HE3 LYS 71 HE1 LYS 71 13.676 -16.625 -11.605 552 HZ1 LYS 71 HZ1 LYS 71 13.839 -18.658 -12.541 553 HZ2 LYS 71 HZ2 LYS 71 12.666 -19.356 -11.542 554 HZ3 LYS 71 HZ3 LYS 71 14.238 -19.123 -10.963 555 H ARG 72 HN ARG 72 12.879 -14.671 -5.279 556 HA ARG 72 HA ARG 72 14.948 -14.425 -3.264 557 HB2 ARG 72 HB2 ARG 72 13.012 -12.865 -3.352 558 HB3 ARG 72 HB1 ARG 72 11.947 -14.210 -2.967 559 HG2 ARG 72 HG2 ARG 72 12.997 -14.487 -0.816 560 HG3 ARG 72 HG1 ARG 72 14.186 -13.240 -1.203 561 HD2 ARG 72 HD2 ARG 72 11.289 -12.562 -1.355 562 HD3 ARG 72 HD1 ARG 72 12.047 -12.691 0.232 563 HE ARG 72 HE ARG 72 13.550 -11.048 -1.556 564 HH11 ARG 72 HH11 ARG 72 10.795 -11.079 0.587 565 HH12 ARG 72 HH12 ARG 72 10.854 -9.375 0.890 566 HH21 ARG 72 HH21 ARG 72 13.629 -8.807 -1.158 567 HH22 ARG 72 HH22 ARG 72 12.462 -8.085 -0.101 568 H LYS 73 HN LYS 73 14.694 -15.533 -1.154 569 HA LYS 73 HA LYS 73 13.562 -18.235 -1.452 570 HB2 LYS 73 HB2 LYS 73 16.272 -17.429 -0.417 571 HB3 LYS 73 HB1 LYS 73 15.538 -18.966 0.020 572 HG2 LYS 73 HG2 LYS 73 15.829 -19.854 -2.045 573 HG3 LYS 73 HG1 LYS 73 15.656 -18.298 -2.861 574 HD2 LYS 73 HD2 LYS 73 17.862 -17.839 -2.728 575 HD3 LYS 73 HD1 LYS 73 18.020 -18.559 -1.125 576 HE2 LYS 73 HE2 LYS 73 18.539 -20.604 -1.947 577 HE3 LYS 73 HE1 LYS 73 17.485 -20.425 -3.349 578 HZ1 LYS 73 HZ1 LYS 73 19.527 -20.326 -4.329 579 HZ2 LYS 73 HZ2 LYS 73 20.273 -19.590 -3.001 580 HZ3 LYS 73 HZ3 LYS 73 19.286 -18.678 -4.028 581 H ASP 74 HN ASP 74 11.830 -18.138 -0.145 582 HA ASP 74 HA ASP 74 11.584 -16.582 2.169 583 HB2 ASP 74 HB2 ASP 74 9.778 -17.822 0.754 584 HB3 ASP 74 HB1 ASP 74 10.096 -19.169 1.843 585 H ASN 75 HN ASN 75 12.736 -19.872 1.695 586 HA ASN 75 HA ASN 75 14.261 -19.860 4.066 587 HB2 ASN 75 HB2 ASN 75 13.011 -21.661 5.285 588 HB3 ASN 75 HB1 ASN 75 12.185 -20.106 5.251 589 HD21 ASN 75 HD21 ASN 75 12.250 -23.346 3.953 590 HD22 ASN 75 HD22 ASN 75 10.624 -23.354 3.370 591 H GLU 76 HN GLU 76 14.609 -20.486 1.314 592 HA GLU 76 HA GLU 76 15.646 -22.005 -0.022 593 HB2 GLU 76 HB2 GLU 76 16.286 -23.046 2.716 594 HB3 GLU 76 HB1 GLU 76 16.753 -23.974 1.297 595 HG2 GLU 76 HG2 GLU 76 18.082 -22.141 0.479 596 HG3 GLU 76 HG1 GLU 76 17.534 -21.112 1.802 597 H GLY 77 HN GLY 77 15.661 -24.413 -0.646 598 HA2 GLY 77 HA2 GLY 77 14.537 -26.498 -0.725 599 HA3 GLY 77 HA1 GLY 77 13.207 -25.787 0.176 600 H ASN 78 HN ASN 78 13.174 -23.409 -1.600 601 HA ASN 78 HA ASN 78 12.733 -24.144 -4.268 602 HB2 ASN 78 HB2 ASN 78 10.205 -23.994 -4.248 603 HB3 ASN 78 HB1 ASN 78 10.881 -25.469 -3.564 604 HD21 ASN 78 HD21 ASN 78 9.187 -22.524 -2.921 605 HD22 ASN 78 HD22 ASN 78 8.737 -22.893 -1.294 606 H GLU 79 HN GLU 79 13.453 -22.232 -4.987 607 HA GLU 79 HA GLU 79 13.059 -19.748 -3.757 608 HB2 GLU 79 HB2 GLU 79 13.790 -20.524 -6.574 609 HB3 GLU 79 HB1 GLU 79 13.665 -18.842 -6.077 610 HG2 GLU 79 HG2 GLU 79 15.608 -18.891 -4.971 611 HG3 GLU 79 HG1 GLU 79 15.317 -20.505 -4.323 612 H VAL 80 HN VAL 80 11.797 -17.927 -4.471 613 HA VAL 80 HA VAL 80 9.141 -18.750 -5.379 614 HB VAL 80 HB VAL 80 8.444 -16.467 -4.627 615 HG11 VAL 80 HG11 VAL 80 9.645 -18.489 -2.787 616 HG12 VAL 80 HG12 VAL 80 7.950 -18.085 -3.062 617 HG13 VAL 80 HG13 VAL 80 8.976 -16.995 -2.129 618 HG21 VAL 80 HG21 VAL 80 9.899 -15.043 -3.450 619 HG22 VAL 80 HG22 VAL 80 10.799 -15.536 -4.884 620 HG23 VAL 80 HG23 VAL 80 11.146 -16.285 -3.326 621 H VAL 81 HN VAL 81 8.195 -18.016 -7.213 622 HA VAL 81 HA VAL 81 9.875 -16.919 -9.247 623 HB VAL 81 HB VAL 81 8.115 -18.541 -9.783 624 HG11 VAL 81 HG11 VAL 81 5.932 -18.302 -9.286 625 HG12 VAL 81 HG12 VAL 81 5.937 -16.569 -9.617 626 HG13 VAL 81 HG13 VAL 81 6.535 -17.173 -8.071 627 HG21 VAL 81 HG21 VAL 81 8.874 -17.115 -11.565 628 HG22 VAL 81 HG22 VAL 81 7.771 -15.833 -11.064 629 HG23 VAL 81 HG23 VAL 81 7.132 -17.339 -11.721 630 HA PRO 82 HA PRO 82 9.604 -12.540 -8.682 631 HB2 PRO 82 HB2 PRO 82 8.912 -12.763 -11.602 632 HB3 PRO 82 HB1 PRO 82 9.941 -11.570 -10.787 633 HG2 PRO 82 HG2 PRO 82 11.109 -13.585 -11.970 634 HG3 PRO 82 HG1 PRO 82 11.603 -13.151 -10.320 635 HD2 PRO 82 HD2 PRO 82 9.912 -15.437 -11.238 636 HD3 PRO 82 HD1 PRO 82 11.111 -15.372 -9.931 637 H LYS 83 HN LYS 83 7.784 -12.656 -7.406 638 HA LYS 83 HA LYS 83 5.216 -12.144 -8.759 639 HB2 LYS 83 HB2 LYS 83 5.896 -13.380 -6.111 640 HB3 LYS 83 HB1 LYS 83 4.313 -12.660 -6.372 641 HG2 LYS 83 HG2 LYS 83 5.471 -14.785 -8.155 642 HG3 LYS 83 HG1 LYS 83 4.458 -15.133 -6.753 643 HD2 LYS 83 HD2 LYS 83 3.553 -13.244 -8.903 644 HD3 LYS 83 HD1 LYS 83 3.333 -14.988 -9.062 645 HE2 LYS 83 HE2 LYS 83 1.715 -15.060 -7.487 646 HE3 LYS 83 HE1 LYS 83 2.480 -13.819 -6.495 647 HZ1 LYS 83 HZ1 LYS 83 0.250 -13.416 -7.871 648 HZ2 LYS 83 HZ2 LYS 83 1.378 -12.928 -9.033 649 HZ3 LYS 83 HZ3 LYS 83 1.349 -12.179 -7.516 650 HA PRO 84 HA PRO 84 6.312 -7.894 -7.433 651 HB2 PRO 84 HB2 PRO 84 3.650 -7.557 -8.744 652 HB3 PRO 84 HB1 PRO 84 5.118 -6.586 -8.912 653 HG2 PRO 84 HG2 PRO 84 4.410 -8.304 -10.815 654 HG3 PRO 84 HG1 PRO 84 6.113 -8.099 -10.363 655 HD2 PRO 84 HD2 PRO 84 4.235 -10.323 -9.725 656 HD3 PRO 84 HD1 PRO 84 5.984 -10.370 -10.020 657 H GLN 85 HN GLN 85 5.917 -7.225 -5.429 658 HA GLN 85 HA GLN 85 3.799 -8.262 -3.850 659 HB2 GLN 85 HB2 GLN 85 5.867 -6.124 -3.426 660 HB3 GLN 85 HB1 GLN 85 4.598 -6.398 -2.240 661 HG2 GLN 85 HG2 GLN 85 5.526 -8.296 -1.491 662 HG3 GLN 85 HG1 GLN 85 6.028 -8.810 -3.101 663 HE21 GLN 85 HE21 GLN 85 8.011 -8.112 -3.916 664 HE22 GLN 85 HE22 GLN 85 9.246 -7.472 -2.891 665 H ARG 86 HN ARG 86 1.925 -7.316 -3.121 666 HA ARG 86 HA ARG 86 1.242 -4.625 -3.990 667 HB2 ARG 86 HB2 ARG 86 -0.610 -6.905 -4.662 668 HB3 ARG 86 HB1 ARG 86 -0.726 -5.228 -5.178 669 HG2 ARG 86 HG2 ARG 86 1.200 -5.481 -6.599 670 HG3 ARG 86 HG1 ARG 86 1.464 -7.121 -6.004 671 HD2 ARG 86 HD2 ARG 86 -0.656 -7.830 -6.955 672 HD3 ARG 86 HD1 ARG 86 -0.985 -6.184 -7.494 673 HE ARG 86 HE ARG 86 0.737 -8.111 -8.751 674 HH11 ARG 86 HH11 ARG 86 0.044 -4.712 -8.370 675 HH12 ARG 86 HH12 ARG 86 0.784 -4.265 -9.871 676 HH21 ARG 86 HH21 ARG 86 1.711 -7.525 -10.725 677 HH22 ARG 86 HH22 ARG 86 1.730 -5.862 -11.208 678 H HIS 87 HN HIS 87 1.088 -4.003 -1.857 679 HA HIS 87 HA HIS 87 -0.823 -5.439 -0.155 680 HB2 HIS 87 HB2 HIS 87 1.047 -3.227 0.692 681 HB3 HIS 87 HB1 HIS 87 0.202 -4.378 1.721 682 HD1 HIS 87 HD1 HIS 87 0.952 -7.020 0.453 683 HD2 HIS 87 HD2 HIS 87 3.652 -3.906 0.979 684 HE1 HIS 87 HE1 HIS 87 3.226 -8.095 0.456 685 HE2 HIS 87 HE2 HIS 87 4.848 -6.181 0.688 686 H MET 88 HN MET 88 -2.751 -4.606 0.330 687 HA MET 88 HA MET 88 -3.284 -1.820 -0.463 688 HB2 MET 88 HB2 MET 88 -5.606 -2.470 -0.798 689 HB3 MET 88 HB1 MET 88 -4.544 -3.494 -1.754 690 HG2 MET 88 HG2 MET 88 -5.959 -5.057 -0.903 691 HG3 MET 88 HG1 MET 88 -4.703 -5.070 0.333 692 HE1 MET 88 HE1 MET 88 -8.882 -5.046 0.987 693 HE2 MET 88 HE2 MET 88 -7.986 -5.225 -0.522 694 HE3 MET 88 HE3 MET 88 -8.709 -3.671 -0.104 695 H PHE 89 HN PHE 89 -4.580 -0.519 0.879 696 HA PHE 89 HA PHE 89 -4.971 -1.527 3.617 697 HB2 PHE 89 HB2 PHE 89 -3.867 1.171 2.809 698 HB3 PHE 89 HB1 PHE 89 -4.326 0.732 4.451 699 HD1 PHE 89 HD2 PHE 89 -2.996 -0.841 5.737 700 HD2 PHE 89 HD1 PHE 89 -1.863 0.306 1.799 701 HE1 PHE 89 HE2 PHE 89 -0.746 -1.759 6.122 702 HE2 PHE 89 HE1 PHE 89 0.389 -0.611 2.176 703 HZ PHE 89 HZ PHE 89 0.950 -1.644 4.340 704 H SER 90 HN SER 90 -6.682 -0.559 4.802 705 HA SER 90 HA SER 90 -8.783 0.524 3.070 706 HB2 SER 90 HB2 SER 90 -8.749 -1.137 5.524 707 HB3 SER 90 HB1 SER 90 -10.067 0.028 5.396 708 HG SER 90 HG SER 90 -9.827 -2.323 4.186 709 H PHE 91 HN PHE 91 -9.731 2.475 3.416 710 HA PHE 91 HA PHE 91 -8.869 4.036 5.751 711 HB2 PHE 91 HB2 PHE 91 -8.587 4.749 2.858 712 HB3 PHE 91 HB1 PHE 91 -8.893 6.028 4.028 713 HD1 PHE 91 HD2 PHE 91 -7.275 6.406 5.881 714 HD2 PHE 91 HD1 PHE 91 -6.460 3.750 2.657 715 HE1 PHE 91 HE2 PHE 91 -4.879 6.475 6.435 716 HE2 PHE 91 HE1 PHE 91 -4.063 3.814 3.206 717 HZ PHE 91 HZ PHE 91 -3.269 5.178 5.097 718 H ASN 92 HN ASN 92 -10.260 5.890 6.208 719 HA ASN 92 HA ASN 92 -12.951 5.676 5.050 720 HB2 ASN 92 HB2 ASN 92 -12.156 5.397 7.912 721 HB3 ASN 92 HB1 ASN 92 -13.664 6.232 7.549 722 HD21 ASN 92 HD21 ASN 92 -12.690 3.453 8.605 723 HD22 ASN 92 HD22 ASN 92 -13.775 2.363 7.819 724 H ASN 93 HN ASN 93 -10.856 7.570 4.527 725 HA ASN 93 HA ASN 93 -12.347 9.984 4.907 726 HB2 ASN 93 HB2 ASN 93 -9.942 9.426 6.575 727 HB3 ASN 93 HB1 ASN 93 -10.131 11.055 5.934 728 HD21 ASN 93 HD21 ASN 93 -12.720 11.577 6.073 729 HD22 ASN 93 HD22 ASN 93 -13.302 11.481 7.697 730 H ARG 94 HN ARG 94 -12.229 10.806 2.930 731 HA ARG 94 HA ARG 94 -10.200 10.208 1.068 732 HB2 ARG 94 HB2 ARG 94 -12.693 11.250 0.882 733 HB3 ARG 94 HB1 ARG 94 -11.730 12.705 0.662 734 HG2 ARG 94 HG2 ARG 94 -10.531 11.619 -1.181 735 HG3 ARG 94 HG1 ARG 94 -11.531 10.181 -0.970 736 HD2 ARG 94 HD2 ARG 94 -12.859 11.129 -2.507 737 HD3 ARG 94 HD1 ARG 94 -13.416 12.137 -1.172 738 HE ARG 94 HE ARG 94 -12.339 13.927 -2.114 739 HH11 ARG 94 HH11 ARG 94 -11.217 10.994 -3.637 740 HH12 ARG 94 HH12 ARG 94 -10.336 11.825 -4.875 741 HH21 ARG 94 HH21 ARG 94 -11.182 15.022 -3.742 742 HH22 ARG 94 HH22 ARG 94 -10.316 14.112 -4.935 743 H THR 95 HN THR 95 -10.609 12.800 3.377 744 HA THR 95 HA THR 95 -8.646 14.546 2.309 745 HB THR 95 HB THR 95 -9.647 14.304 5.154 746 HG1 THR 95 HG1 THR 95 -11.131 15.853 4.552 747 HG21 THR 95 HG21 THR 95 -8.592 16.797 3.881 748 HG22 THR 95 HG22 THR 95 -7.532 15.676 4.736 749 HG23 THR 95 HG23 THR 95 -8.869 16.448 5.588 750 H VAL 96 HN VAL 96 -8.545 11.928 4.668 751 HA VAL 96 HA VAL 96 -5.798 12.375 5.369 752 HB VAL 96 HB VAL 96 -7.420 9.871 5.833 753 HG11 VAL 96 HG11 VAL 96 -5.766 9.153 7.188 754 HG12 VAL 96 HG12 VAL 96 -5.384 10.777 7.760 755 HG13 VAL 96 HG13 VAL 96 -4.772 10.225 6.201 756 HG21 VAL 96 HG21 VAL 96 -7.125 12.188 7.733 757 HG22 VAL 96 HG22 VAL 96 -8.163 10.772 7.900 758 HG23 VAL 96 HG23 VAL 96 -8.514 11.982 6.667 759 H MET 97 HN MET 97 -7.534 10.365 3.083 760 HA MET 97 HA MET 97 -5.492 8.564 2.425 761 HB2 MET 97 HB2 MET 97 -7.953 9.557 1.065 762 HB3 MET 97 HB1 MET 97 -6.778 8.672 0.102 763 HG2 MET 97 HG2 MET 97 -7.499 7.430 2.665 764 HG3 MET 97 HG1 MET 97 -8.794 7.528 1.473 765 HE1 MET 97 HE1 MET 97 -8.126 7.301 -0.979 766 HE2 MET 97 HE2 MET 97 -8.579 5.596 -0.994 767 HE3 MET 97 HE3 MET 97 -7.010 6.098 -1.624 768 H ASP 98 HN ASP 98 -6.157 11.832 1.323 769 HA ASP 98 HA ASP 98 -4.349 11.859 -0.849 770 HB2 ASP 98 HB2 ASP 98 -6.177 13.528 -0.470 771 HB3 ASP 98 HB1 ASP 98 -5.219 14.214 0.839 772 H ASN 99 HN ASN 99 -4.004 12.711 2.566 773 HA ASN 99 HA ASN 99 -1.419 13.783 2.442 774 HB2 ASN 99 HB2 ASN 99 -3.238 13.536 4.410 775 HB3 ASN 99 HB1 ASN 99 -2.152 12.224 4.859 776 HD21 ASN 99 HD21 ASN 99 -1.438 13.231 6.707 777 HD22 ASN 99 HD22 ASN 99 -0.409 14.618 6.680 778 H ILE 100 HN ILE 100 -2.513 10.458 3.037 779 HA ILE 100 HA ILE 100 0.062 9.357 3.414 780 HB ILE 100 HB ILE 100 -2.375 7.906 2.382 781 HG12 ILE 100 HG12 ILE 100 -2.971 9.107 4.412 782 HG13 ILE 100 HG11 ILE 100 -2.833 7.387 4.764 783 HG21 ILE 100 HG21 ILE 100 -0.415 6.567 2.167 784 HG22 ILE 100 HG22 ILE 100 -1.308 5.981 3.571 785 HG23 ILE 100 HG23 ILE 100 0.122 6.990 3.793 786 HD11 ILE 100 HD11 ILE 100 -0.638 9.369 5.288 787 HD12 ILE 100 HD12 ILE 100 -0.741 7.697 5.840 788 HD13 ILE 100 HD13 ILE 100 -1.853 8.907 6.480 789 H LYS 101 HN LYS 101 -2.104 9.263 0.580 790 HA LYS 101 HA LYS 101 -0.304 7.999 -1.153 791 HB2 LYS 101 HB2 LYS 101 -2.737 8.241 -1.573 792 HB3 LYS 101 HB1 LYS 101 -2.494 9.956 -1.873 793 HG2 LYS 101 HG2 LYS 101 -0.778 9.076 -3.653 794 HG3 LYS 101 HG1 LYS 101 -1.759 7.613 -3.549 795 HD2 LYS 101 HD2 LYS 101 -3.210 10.179 -3.815 796 HD3 LYS 101 HD1 LYS 101 -2.310 9.624 -5.228 797 HE2 LYS 101 HE2 LYS 101 -3.504 7.342 -4.664 798 HE3 LYS 101 HE1 LYS 101 -4.663 8.407 -3.869 799 HZ1 LYS 101 HZ1 LYS 101 -4.818 7.759 -6.428 800 HZ2 LYS 101 HZ2 LYS 101 -3.863 9.147 -6.567 801 HZ3 LYS 101 HZ3 LYS 101 -5.380 9.237 -5.825 802 H MET 102 HN MET 102 -0.677 11.353 -0.240 803 HA MET 102 HA MET 102 1.005 12.391 -2.313 804 HB2 MET 102 HB2 MET 102 -0.713 13.778 -1.247 805 HB3 MET 102 HB1 MET 102 0.115 13.632 0.297 806 HG2 MET 102 HG2 MET 102 2.039 14.817 -0.613 807 HG3 MET 102 HG1 MET 102 1.225 14.951 -2.170 808 HE1 MET 102 HE1 MET 102 -1.833 15.370 -0.593 809 HE2 MET 102 HE2 MET 102 -1.361 15.940 -2.194 810 HE3 MET 102 HE3 MET 102 -1.953 17.084 -0.989 811 H THR 103 HN THR 103 1.435 11.610 1.116 812 HA THR 103 HA THR 103 4.078 12.524 1.365 813 HB THR 103 HB THR 103 2.705 10.280 2.857 814 HG1 THR 103 HG1 THR 103 2.966 13.015 3.549 815 HG21 THR 103 HG21 THR 103 4.420 11.601 4.579 816 HG22 THR 103 HG22 THR 103 5.360 11.376 3.104 817 HG23 THR 103 HG23 THR 103 4.630 9.985 3.906 818 H LEU 104 HN LEU 104 2.802 9.296 0.603 819 HA LEU 104 HA LEU 104 5.256 7.967 0.421 820 HB2 LEU 104 HB2 LEU 104 2.501 7.486 -0.552 821 HB3 LEU 104 HB1 LEU 104 3.777 6.595 -1.360 822 HG LEU 104 HG LEU 104 4.442 6.101 1.205 823 HD11 LEU 104 HD11 LEU 104 2.480 7.399 2.008 824 HD12 LEU 104 HD12 LEU 104 2.491 5.718 2.540 825 HD13 LEU 104 HD13 LEU 104 1.432 6.219 1.222 826 HD21 LEU 104 HD21 LEU 104 2.698 4.078 0.777 827 HD22 LEU 104 HD22 LEU 104 4.294 4.185 0.035 828 HD23 LEU 104 HD23 LEU 104 2.868 4.717 -0.858 829 H GLN 105 HN GLN 105 3.363 9.656 -2.056 830 HA GLN 105 HA GLN 105 4.955 9.042 -4.265 831 HB2 GLN 105 HB2 GLN 105 3.101 11.304 -3.609 832 HB3 GLN 105 HB1 GLN 105 4.055 11.358 -5.085 833 HG2 GLN 105 HG2 GLN 105 3.085 9.194 -5.755 834 HG3 GLN 105 HG1 GLN 105 2.079 9.226 -4.308 835 HE21 GLN 105 HE21 GLN 105 2.521 10.390 -7.500 836 HE22 GLN 105 HE22 GLN 105 1.071 11.323 -7.602 837 H GLN 106 HN GLN 106 5.394 11.377 -1.711 838 HA GLN 106 HA GLN 106 7.458 12.854 -3.049 839 HB2 GLN 106 HB2 GLN 106 6.223 12.861 -0.343 840 HB3 GLN 106 HB1 GLN 106 7.834 13.548 -0.498 841 HG2 GLN 106 HG2 GLN 106 5.876 14.435 -2.505 842 HG3 GLN 106 HG1 GLN 106 5.555 14.934 -0.845 843 HE21 GLN 106 HE21 GLN 106 8.475 14.564 -2.833 844 HE22 GLN 106 HE22 GLN 106 9.094 16.147 -2.522 845 H ILE 107 HN ILE 107 7.333 10.243 -0.681 846 HA ILE 107 HA ILE 107 10.153 10.194 -0.216 847 HB ILE 107 HB ILE 107 8.179 7.969 0.294 848 HG12 ILE 107 HG12 ILE 107 9.049 10.027 2.312 849 HG13 ILE 107 HG11 ILE 107 7.639 10.289 1.291 850 HG21 ILE 107 HG21 ILE 107 11.002 8.477 1.018 851 HG22 ILE 107 HG22 ILE 107 10.166 6.957 0.701 852 HG23 ILE 107 HG23 ILE 107 9.972 7.762 2.258 853 HD11 ILE 107 HD11 ILE 107 6.392 8.762 2.392 854 HD12 ILE 107 HD12 ILE 107 7.496 9.183 3.702 855 HD13 ILE 107 HD13 ILE 107 7.772 7.725 2.750 856 H ILE 108 HN ILE 108 7.926 8.338 -2.247 857 HA ILE 108 HA ILE 108 9.903 6.531 -3.217 858 HB ILE 108 HB ILE 108 7.288 7.252 -4.541 859 HG12 ILE 108 HG12 ILE 108 7.640 4.873 -2.757 860 HG13 ILE 108 HG11 ILE 108 7.317 6.446 -2.035 861 HG21 ILE 108 HG21 ILE 108 9.297 5.766 -5.555 862 HG22 ILE 108 HG22 ILE 108 7.594 5.504 -5.929 863 HG23 ILE 108 HG23 ILE 108 8.387 4.525 -4.694 864 HD11 ILE 108 HD11 ILE 108 5.311 5.014 -2.422 865 HD12 ILE 108 HD12 ILE 108 5.584 5.210 -4.154 866 HD13 ILE 108 HD13 ILE 108 5.232 6.618 -3.152 867 H SER 109 HN SER 109 8.466 9.514 -4.480 868 HA SER 109 HA SER 109 9.761 9.486 -6.979 869 HB2 SER 109 HB2 SER 109 8.638 11.750 -5.322 870 HB3 SER 109 HB1 SER 109 9.284 11.976 -6.947 871 HG SER 109 HG SER 109 7.477 11.243 -7.703 872 H ARG 110 HN ARG 110 10.738 10.661 -3.819 873 HA ARG 110 HA ARG 110 13.016 12.109 -4.684 874 HB2 ARG 110 HB2 ARG 110 12.049 11.043 -2.064 875 HB3 ARG 110 HB1 ARG 110 13.710 11.604 -2.191 876 HG2 ARG 110 HG2 ARG 110 11.228 13.213 -2.749 877 HG3 ARG 110 HG1 ARG 110 12.300 13.371 -1.356 878 HD2 ARG 110 HD2 ARG 110 13.253 14.997 -2.586 879 HD3 ARG 110 HD1 ARG 110 14.070 13.650 -3.379 880 HE ARG 110 HE ARG 110 11.638 14.080 -4.683 881 HH11 ARG 110 HH11 ARG 110 14.686 15.706 -4.186 882 HH12 ARG 110 HH12 ARG 110 14.616 16.564 -5.689 883 HH21 ARG 110 HH21 ARG 110 11.544 15.208 -6.660 884 HH22 ARG 110 HH22 ARG 110 12.832 16.282 -7.093 885 H TYR 111 HN TYR 111 12.435 8.752 -3.913 886 HA TYR 111 HA TYR 111 15.289 8.142 -4.154 887 HB2 TYR 111 HB2 TYR 111 12.960 6.407 -3.313 888 HB3 TYR 111 HB1 TYR 111 14.636 5.874 -3.385 889 HD1 TYR 111 HD2 TYR 111 16.027 8.227 -2.248 890 HD2 TYR 111 HD1 TYR 111 12.427 6.306 -1.043 891 HE1 TYR 111 HE2 TYR 111 16.379 9.021 0.052 892 HE2 TYR 111 HE1 TYR 111 12.769 7.096 1.260 893 HH TYR 111 HH TYR 111 14.653 7.824 2.697 894 H LYS 112 HN LYS 112 13.056 8.710 -6.319 895 HA LYS 112 HA LYS 112 13.116 6.299 -7.889 896 HB2 LYS 112 HB2 LYS 112 11.911 9.003 -8.147 897 HB3 LYS 112 HB1 LYS 112 12.213 8.120 -9.637 898 HG2 LYS 112 HG2 LYS 112 11.007 6.193 -8.215 899 HG3 LYS 112 HG1 LYS 112 10.251 7.616 -7.496 900 HD2 LYS 112 HD2 LYS 112 9.943 8.332 -10.001 901 HD3 LYS 112 HD1 LYS 112 10.116 6.602 -10.299 902 HE2 LYS 112 HE2 LYS 112 8.275 7.338 -8.122 903 HE3 LYS 112 HE1 LYS 112 7.769 7.827 -9.739 904 HZ1 LYS 112 HZ1 LYS 112 6.932 5.750 -9.755 905 HZ2 LYS 112 HZ2 LYS 112 8.020 5.163 -8.600 906 HZ3 LYS 112 HZ3 LYS 112 8.506 5.327 -10.212 907 H ASP 113 HN ASP 113 14.650 9.489 -8.031 908 HA ASP 113 HA ASP 113 16.248 8.673 -10.327 909 HB2 ASP 113 HB2 ASP 113 15.150 11.039 -9.807 910 HB3 ASP 113 HB1 ASP 113 16.675 11.287 -8.962 911 H ALA 114 HN ALA 114 16.502 7.848 -7.292 912 HA ALA 114 HA ALA 114 18.174 7.265 -5.865 913 HB1 ALA 114 HB1 ALA 114 19.919 6.184 -6.829 914 HB2 ALA 114 HB2 ALA 114 20.255 7.498 -7.957 915 HB3 ALA 114 HB3 ALA 114 18.920 6.388 -8.269 916 H ASP 115 HN ASP 115 17.552 10.036 -6.011 917 HA ASP 115 HA ASP 115 18.308 12.046 -5.262 918 HB2 ASP 115 HB2 ASP 115 19.475 10.230 -3.652 919 HB3 ASP 115 HB1 ASP 115 20.916 10.961 -4.353 920 H1 ASP 453 HN ASP 453 -18.827 -12.593 -2.527 921 HA ASP 453 HA ASP 453 -18.063 -12.500 -5.371 922 HB2 ASP 453 HB2 ASP 453 -20.613 -11.769 -3.956 923 HB3 ASP 453 HB1 ASP 453 -20.225 -11.074 -5.527 924 H LEU 454 HN LEU 454 -16.556 -11.353 -3.163 925 HA LEU 454 HA LEU 454 -16.899 -8.478 -3.682 926 HB2 LEU 454 HB2 LEU 454 -16.782 -9.677 -1.287 927 HB3 LEU 454 HB1 LEU 454 -15.067 -9.423 -1.549 928 HG LEU 454 HG LEU 454 -15.763 -6.963 -2.049 929 HD11 LEU 454 HD11 LEU 454 -17.785 -6.204 -1.327 930 HD12 LEU 454 HD12 LEU 454 -17.968 -7.489 -0.133 931 HD13 LEU 454 HD13 LEU 454 -18.254 -7.825 -1.840 932 HD21 LEU 454 HD21 LEU 454 -15.464 -6.399 0.278 933 HD22 LEU 454 HD22 LEU 454 -14.407 -7.747 -0.140 934 HD23 LEU 454 HD23 LEU 454 -15.893 -8.039 0.764 935 H ASP 455 HN ASP 455 -14.695 -11.166 -3.916 936 HA ASP 455 HA ASP 455 -12.286 -9.821 -4.322 937 HB2 ASP 455 HB2 ASP 455 -13.206 -12.412 -5.587 938 HB3 ASP 455 HB1 ASP 455 -11.538 -11.858 -5.478 939 H GLU 456 HN GLU 456 -14.981 -10.375 -6.474 940 HA GLU 456 HA GLU 456 -13.708 -9.794 -8.915 941 HB2 GLU 456 HB2 GLU 456 -16.040 -10.795 -8.501 942 HB3 GLU 456 HB1 GLU 456 -16.584 -9.133 -8.321 943 HG2 GLU 456 HG2 GLU 456 -17.029 -9.508 -10.530 944 HG3 GLU 456 HG1 GLU 456 -15.418 -8.800 -10.627 945 H SER 457 HN SER 457 -15.015 -7.755 -6.397 946 HA SER 457 HA SER 457 -14.732 -5.352 -8.010 947 HB2 SER 457 HB2 SER 457 -16.608 -5.820 -6.282 948 HB3 SER 457 HB1 SER 457 -15.396 -5.384 -5.076 949 HG SER 457 HG SER 457 -16.486 -3.531 -5.620 950 H TRP 458 HN TRP 458 -13.053 -7.083 -5.498 951 HA TRP 458 HA TRP 458 -11.403 -5.073 -4.497 952 HB2 TRP 458 HB2 TRP 458 -11.528 -7.950 -4.391 953 HB3 TRP 458 HB1 TRP 458 -9.856 -7.429 -4.575 954 HD1 TRP 458 HD1 TRP 458 -8.863 -7.612 -2.213 955 HE1 TRP 458 HE1 TRP 458 -9.507 -6.734 0.119 956 HE3 TRP 458 HE3 TRP 458 -13.438 -5.621 -3.330 957 HZ2 TRP 458 HZ2 TRP 458 -11.669 -5.377 1.325 958 HZ3 TRP 458 HZ3 TRP 458 -14.730 -4.552 -1.530 959 HH2 TRP 458 HH2 TRP 458 -13.862 -4.433 0.749 960 H ASP 459 HN ASP 459 -11.265 -6.832 -7.498 961 HA ASP 459 HA ASP 459 -8.589 -5.865 -8.106 962 HB2 ASP 459 HB2 ASP 459 -10.488 -7.795 -9.367 963 HB3 ASP 459 HB1 ASP 459 -9.257 -7.048 -10.381 964 H TYR 460 HN TYR 460 -11.910 -5.126 -8.829 965 HA TYR 460 HA TYR 460 -11.158 -3.286 -10.963 966 HB2 TYR 460 HB2 TYR 460 -13.370 -4.883 -10.584 967 HB3 TYR 460 HB1 TYR 460 -13.966 -3.289 -10.131 968 HD1 TYR 460 HD2 TYR 460 -12.427 -1.572 -11.995 969 HD2 TYR 460 HD1 TYR 460 -14.384 -5.293 -12.647 970 HE1 TYR 460 HE2 TYR 460 -12.710 -1.000 -14.370 971 HE2 TYR 460 HE1 TYR 460 -14.671 -4.732 -15.024 972 HH TYR 460 HH TYR 460 -14.735 -2.798 -16.465 973 H ILE 461 HN ILE 461 -11.220 -3.135 -7.679 974 HA ILE 461 HA ILE 461 -12.259 -0.398 -7.565 975 HB ILE 461 HB ILE 461 -13.069 -1.990 -5.862 976 HG12 ILE 461 HG12 ILE 461 -11.334 0.231 -4.758 977 HG13 ILE 461 HG11 ILE 461 -12.977 0.415 -5.362 978 HG21 ILE 461 HG21 ILE 461 -10.227 -2.014 -4.858 979 HG22 ILE 461 HG22 ILE 461 -11.008 -3.341 -5.716 980 HG23 ILE 461 HG23 ILE 461 -11.610 -2.837 -4.138 981 HD11 ILE 461 HD11 ILE 461 -12.533 -1.549 -3.193 982 HD12 ILE 461 HD12 ILE 461 -13.906 -0.486 -3.503 983 HD13 ILE 461 HD13 ILE 461 -12.431 0.164 -2.788 984 H PHE 462 HN PHE 462 -9.341 -2.287 -6.938 985 HA PHE 462 HA PHE 462 -7.837 0.094 -6.226 986 HB2 PHE 462 HB2 PHE 462 -7.156 -2.838 -6.356 987 HB3 PHE 462 HB1 PHE 462 -5.921 -1.609 -6.104 988 HD1 PHE 462 HD2 PHE 462 -6.560 0.140 -4.187 989 HD2 PHE 462 HD1 PHE 462 -8.039 -3.838 -4.498 990 HE1 PHE 462 HE2 PHE 462 -7.048 0.138 -1.776 991 HE2 PHE 462 HE1 PHE 462 -8.531 -3.848 -2.087 992 HZ PHE 462 HZ PHE 462 -8.035 -1.858 -0.723 993 H GLU 463 HN GLU 463 -8.242 -2.085 -8.930 994 HA GLU 463 HA GLU 463 -5.970 -1.289 -10.411 995 HB2 GLU 463 HB2 GLU 463 -7.209 -3.353 -10.888 996 HB3 GLU 463 HB1 GLU 463 -8.605 -2.407 -11.386 997 HG2 GLU 463 HG2 GLU 463 -7.776 -2.680 -13.440 998 HG3 GLU 463 HG1 GLU 463 -6.685 -1.371 -12.989 999 H THR 464 HN THR 464 -9.304 -0.122 -10.315 1000 HA THR 464 HA THR 464 -9.136 1.667 -12.474 1001 HB THR 464 HB THR 464 -10.846 1.968 -10.000 1002 HG1 THR 464 HG1 THR 464 -12.357 0.725 -11.145 1003 HG21 THR 464 HG21 THR 464 -12.391 3.149 -11.340 1004 HG22 THR 464 HG22 THR 464 -11.490 2.791 -12.814 1005 HG23 THR 464 HG23 THR 464 -10.813 3.888 -11.610 1006 H THR 465 HN THR 465 -8.562 3.795 -12.636 1007 HA THR 465 HA THR 465 -7.561 5.148 -10.236 1008 HB THR 465 HB THR 465 -5.522 5.836 -11.350 1009 HG1 THR 465 HG1 THR 465 -5.226 5.598 -13.419 1010 HG21 THR 465 HG21 THR 465 -5.375 2.997 -12.074 1011 HG22 THR 465 HG22 THR 465 -5.889 3.336 -10.421 1012 HG23 THR 465 HG23 THR 465 -4.349 3.960 -11.012 Start of MODEL 12 1 H2 PRO 1 HT1 PRO 1 -2.221 15.452 7.178 2 H3 PRO 1 HT2 PRO 1 -2.779 15.326 5.635 3 HA PRO 1 HA PRO 1 -1.158 16.395 4.999 4 HB2 PRO 1 HB2 PRO 1 -1.608 18.928 6.355 5 HB3 PRO 1 HB1 PRO 1 -1.795 18.526 4.644 6 HG2 PRO 1 HG2 PRO 1 -3.904 19.019 6.283 7 HG3 PRO 1 HG1 PRO 1 -3.993 17.930 4.887 8 HD2 PRO 1 HD2 PRO 1 -3.655 17.259 7.796 9 HD3 PRO 1 HD1 PRO 1 -4.701 16.494 6.584 10 H SER 2 HN SER 2 -0.307 14.870 6.993 11 HA SER 2 HA SER 2 1.908 16.366 8.068 12 HB2 SER 2 HB2 SER 2 0.273 16.811 9.810 13 HB3 SER 2 HB1 SER 2 -0.108 15.094 9.934 14 HG SER 2 HG SER 2 1.365 15.827 11.556 15 H HIS 3 HN HIS 3 1.524 14.164 6.238 16 HA HIS 3 HA HIS 3 2.449 12.152 5.718 17 HB2 HIS 3 HB2 HIS 3 4.177 13.055 8.000 18 HB3 HIS 3 HB1 HIS 3 4.414 11.461 7.289 19 HD1 HIS 3 HD1 HIS 3 3.618 14.623 5.369 20 HD2 HIS 3 HD2 HIS 3 6.739 11.937 5.924 21 HE1 HIS 3 HE1 HIS 3 5.368 15.269 3.684 22 HE2 HIS 3 HE2 HIS 3 7.283 13.684 4.096 23 H SER 4 HN SER 4 0.086 12.099 7.224 24 HA SER 4 HA SER 4 0.163 9.411 8.188 25 HB2 SER 4 HB2 SER 4 -0.639 11.453 10.255 26 HB3 SER 4 HB1 SER 4 -0.321 9.733 10.480 27 HG SER 4 HG SER 4 1.362 11.514 11.000 28 H GLY 5 HN GLY 5 -2.027 8.709 8.983 29 HA2 GLY 5 HA2 GLY 5 -4.348 10.209 8.742 30 HA3 GLY 5 HA1 GLY 5 -4.008 9.574 7.139 31 H ALA 6 HN ALA 6 -6.320 8.929 8.556 32 HA ALA 6 HA ALA 6 -6.199 6.564 10.044 33 HB1 ALA 6 HB1 ALA 6 -8.475 7.329 8.231 34 HB2 ALA 6 HB2 ALA 6 -8.175 8.109 9.784 35 HB3 ALA 6 HB3 ALA 6 -8.539 6.385 9.719 36 H ALA 7 HN ALA 7 -6.181 4.431 9.528 37 HA ALA 7 HA ALA 7 -6.583 3.511 6.829 38 HB1 ALA 7 HB1 ALA 7 -3.922 2.712 7.823 39 HB2 ALA 7 HB2 ALA 7 -4.080 4.378 7.267 40 HB3 ALA 7 HB3 ALA 7 -4.469 3.045 6.180 41 H ILE 8 HN ILE 8 -7.493 1.562 6.917 42 HA ILE 8 HA ILE 8 -7.296 0.050 9.425 43 HB ILE 8 HB ILE 8 -9.268 -0.410 7.192 44 HG12 ILE 8 HG12 ILE 8 -10.847 0.777 8.874 45 HG13 ILE 8 HG11 ILE 8 -9.368 1.456 9.549 46 HG21 ILE 8 HG21 ILE 8 -9.761 -1.085 10.045 47 HG22 ILE 8 HG22 ILE 8 -8.675 -2.114 9.111 48 HG23 ILE 8 HG23 ILE 8 -10.340 -1.876 8.579 49 HD11 ILE 8 HD11 ILE 8 -9.643 1.704 6.638 50 HD12 ILE 8 HD12 ILE 8 -9.092 2.874 7.836 51 HD13 ILE 8 HD13 ILE 8 -10.818 2.606 7.594 52 H PHE 9 HN PHE 9 -6.129 -1.747 9.506 53 HA PHE 9 HA PHE 9 -5.616 -3.214 7.005 54 HB2 PHE 9 HB2 PHE 9 -3.655 -1.817 7.940 55 HB3 PHE 9 HB1 PHE 9 -3.579 -3.031 9.213 56 HD1 PHE 9 HD2 PHE 9 -3.882 -2.973 5.490 57 HD2 PHE 9 HD1 PHE 9 -2.010 -4.665 8.916 58 HE1 PHE 9 HE2 PHE 9 -2.517 -4.409 4.030 59 HE2 PHE 9 HE1 PHE 9 -0.641 -6.104 7.463 60 HZ PHE 9 HZ PHE 9 -0.895 -5.977 5.017 61 H GLU 10 HN GLU 10 -5.999 -5.342 7.080 62 HA GLU 10 HA GLU 10 -6.584 -7.399 7.853 63 HB2 GLU 10 HB2 GLU 10 -5.301 -6.549 10.453 64 HB3 GLU 10 HB1 GLU 10 -5.606 -8.195 9.914 65 HG2 GLU 10 HG2 GLU 10 -4.091 -7.226 7.875 66 HG3 GLU 10 HG1 GLU 10 -3.416 -6.372 9.261 67 H LYS 11 HN LYS 11 -8.461 -5.280 8.035 68 HA LYS 11 HA LYS 11 -10.532 -4.851 8.869 69 HB2 LYS 11 HB2 LYS 11 -10.015 -7.638 9.780 70 HB3 LYS 11 HB1 LYS 11 -11.374 -6.785 10.499 71 HG2 LYS 11 HG2 LYS 11 -11.020 -6.945 7.528 72 HG3 LYS 11 HG1 LYS 11 -11.816 -8.228 8.442 73 HD2 LYS 11 HD2 LYS 11 -13.623 -6.918 8.971 74 HD3 LYS 11 HD1 LYS 11 -12.697 -5.418 8.879 75 HE2 LYS 11 HE2 LYS 11 -14.002 -5.271 6.986 76 HE3 LYS 11 HE1 LYS 11 -12.531 -6.002 6.345 77 HZ1 LYS 11 HZ1 LYS 11 -14.085 -7.387 5.467 78 HZ2 LYS 11 HZ2 LYS 11 -15.175 -7.189 6.745 79 HZ3 LYS 11 HZ3 LYS 11 -13.826 -8.192 6.933 80 H VAL 12 HN VAL 12 -8.264 -3.782 10.215 81 HA VAL 12 HA VAL 12 -9.420 -3.445 12.897 82 HB VAL 12 HB VAL 12 -6.456 -3.619 12.338 83 HG11 VAL 12 HG11 VAL 12 -6.934 -2.117 14.162 84 HG12 VAL 12 HG12 VAL 12 -6.274 -3.619 14.808 85 HG13 VAL 12 HG13 VAL 12 -8.006 -3.303 14.905 86 HG21 VAL 12 HG21 VAL 12 -7.214 -5.822 12.158 87 HG22 VAL 12 HG22 VAL 12 -8.412 -5.610 13.435 88 HG23 VAL 12 HG23 VAL 12 -6.697 -5.684 13.839 89 H SER 13 HN SER 13 -9.602 -1.389 13.565 90 HA SER 13 HA SER 13 -8.935 0.714 11.702 91 HB2 SER 13 HB2 SER 13 -10.026 1.289 14.425 92 HB3 SER 13 HB1 SER 13 -10.411 2.046 12.879 93 HG SER 13 HG SER 13 -11.389 -0.073 12.353 94 H GLY 14 HN GLY 14 -7.206 1.996 11.772 95 HA2 GLY 14 HA2 GLY 14 -5.900 2.660 14.253 96 HA3 GLY 14 HA1 GLY 14 -4.955 1.581 13.239 97 H ILE 15 HN ILE 15 -3.847 3.940 13.835 98 HA ILE 15 HA ILE 15 -4.321 5.678 11.510 99 HB ILE 15 HB ILE 15 -2.644 6.371 13.914 100 HG12 ILE 15 HG12 ILE 15 -4.868 5.868 14.744 101 HG13 ILE 15 HG11 ILE 15 -4.628 7.612 14.752 102 HG21 ILE 15 HG21 ILE 15 -2.153 7.852 12.188 103 HG22 ILE 15 HG22 ILE 15 -3.380 8.705 13.125 104 HG23 ILE 15 HG23 ILE 15 -3.822 7.896 11.621 105 HD11 ILE 15 HD11 ILE 15 -5.982 6.257 12.456 106 HD12 ILE 15 HD12 ILE 15 -6.078 7.941 12.972 107 HD13 ILE 15 HD13 ILE 15 -6.865 6.681 13.923 108 H ILE 16 HN ILE 16 -2.777 6.000 10.000 109 HA ILE 16 HA ILE 16 -0.316 4.432 10.279 110 HB ILE 16 HB ILE 16 -2.078 4.447 8.224 111 HG12 ILE 16 HG12 ILE 16 0.746 4.073 7.412 112 HG13 ILE 16 HG11 ILE 16 0.212 3.162 8.820 113 HG21 ILE 16 HG21 ILE 16 -1.428 5.747 6.412 114 HG22 ILE 16 HG22 ILE 16 0.144 6.123 7.119 115 HG23 ILE 16 HG23 ILE 16 -1.318 6.863 7.773 116 HD11 ILE 16 HD11 ILE 16 -0.237 1.685 7.138 117 HD12 ILE 16 HD12 ILE 16 -0.655 2.953 5.985 118 HD13 ILE 16 HD13 ILE 16 -1.787 2.517 7.266 119 H ALA 17 HN ALA 17 1.698 5.325 10.090 120 HA ALA 17 HA ALA 17 1.894 8.208 9.594 121 HB1 ALA 17 HB1 ALA 17 1.893 7.317 12.133 122 HB2 ALA 17 HB2 ALA 17 2.785 8.741 11.598 123 HB3 ALA 17 HB3 ALA 17 3.613 7.192 11.763 124 H ILE 18 HN ILE 18 3.388 8.599 8.110 125 HA ILE 18 HA ILE 18 5.315 6.533 7.423 126 HB ILE 18 HB ILE 18 4.930 9.210 6.086 127 HG12 ILE 18 HG12 ILE 18 3.642 6.547 5.440 128 HG13 ILE 18 HG11 ILE 18 2.816 7.960 6.089 129 HG21 ILE 18 HG21 ILE 18 6.990 8.301 5.421 130 HG22 ILE 18 HG22 ILE 18 5.866 7.881 4.128 131 HG23 ILE 18 HG23 ILE 18 6.332 6.667 5.320 132 HD11 ILE 18 HD11 ILE 18 2.653 8.927 4.083 133 HD12 ILE 18 HD12 ILE 18 2.967 7.306 3.461 134 HD13 ILE 18 HD13 ILE 18 4.289 8.463 3.615 135 H ASN 19 HN ASN 19 7.458 6.625 7.784 136 HA ASN 19 HA ASN 19 8.456 8.912 9.324 137 HB2 ASN 19 HB2 ASN 19 9.164 6.020 9.186 138 HB3 ASN 19 HB1 ASN 19 10.448 7.160 9.581 139 HD21 ASN 19 HD21 ASN 19 10.049 8.624 11.388 140 HD22 ASN 19 HD22 ASN 19 9.106 8.059 12.721 141 H GLU 20 HN GLU 20 9.489 10.412 8.197 142 HA GLU 20 HA GLU 20 10.933 9.636 5.764 143 HB2 GLU 20 HB2 GLU 20 9.812 12.248 6.748 144 HB3 GLU 20 HB1 GLU 20 10.999 12.197 5.452 145 HG2 GLU 20 HG2 GLU 20 8.455 10.616 5.337 146 HG3 GLU 20 HG1 GLU 20 8.546 12.292 4.798 147 H ASP 21 HN ASP 21 11.943 9.228 8.510 148 HA ASP 21 HA ASP 21 14.148 11.132 8.683 149 HB2 ASP 21 HB2 ASP 21 13.019 9.044 10.512 150 HB3 ASP 21 HB1 ASP 21 14.672 9.603 10.751 151 H VAL 22 HN VAL 22 13.532 7.720 8.075 152 HA VAL 22 HA VAL 22 16.362 7.155 7.742 153 HB VAL 22 HB VAL 22 14.915 5.488 8.825 154 HG11 VAL 22 HG11 VAL 22 13.666 4.602 6.321 155 HG12 VAL 22 HG12 VAL 22 13.055 6.127 6.964 156 HG13 VAL 22 HG13 VAL 22 13.012 4.671 7.957 157 HG21 VAL 22 HG21 VAL 22 16.875 5.037 6.943 158 HG22 VAL 22 HG22 VAL 22 15.572 3.962 6.440 159 HG23 VAL 22 HG23 VAL 22 16.226 3.849 8.072 160 H SER 23 HN SER 23 17.336 6.553 5.805 161 HA SER 23 HA SER 23 16.717 7.955 3.533 162 HB2 SER 23 HB2 SER 23 18.419 5.589 4.098 163 HB3 SER 23 HB1 SER 23 18.055 5.922 2.405 164 HG SER 23 HG SER 23 19.204 7.713 2.493 165 HA PRO 24 HA PRO 24 14.648 4.131 1.389 166 HB2 PRO 24 HB2 PRO 24 13.968 2.061 3.076 167 HB3 PRO 24 HB1 PRO 24 15.425 2.104 2.079 168 HG2 PRO 24 HG2 PRO 24 15.089 2.770 4.974 169 HG3 PRO 24 HG1 PRO 24 16.398 1.881 4.173 170 HD2 PRO 24 HD2 PRO 24 16.694 4.444 4.904 171 HD3 PRO 24 HD1 PRO 24 17.415 3.820 3.407 172 H ALA 25 HN ALA 25 13.814 5.363 4.503 173 HA ALA 25 HA ALA 25 11.853 6.073 5.414 174 HB1 ALA 25 HB1 ALA 25 9.948 6.270 3.538 175 HB2 ALA 25 HB2 ALA 25 11.373 6.204 2.502 176 HB3 ALA 25 HB3 ALA 25 11.236 7.458 3.735 177 H GLU 26 HN GLU 26 9.649 5.393 5.986 178 HA GLU 26 HA GLU 26 8.759 2.795 5.103 179 HB2 GLU 26 HB2 GLU 26 8.742 1.933 7.514 180 HB3 GLU 26 HB1 GLU 26 10.282 1.932 6.665 181 HG2 GLU 26 HG2 GLU 26 11.056 3.810 7.858 182 HG3 GLU 26 HG1 GLU 26 9.447 4.167 8.485 183 H LEU 27 HN LEU 27 6.719 2.147 6.154 184 HA LEU 27 HA LEU 27 5.202 4.492 7.103 185 HB2 LEU 27 HB2 LEU 27 4.461 3.955 4.895 186 HB3 LEU 27 HB1 LEU 27 4.365 2.246 5.276 187 HG LEU 27 HG LEU 27 2.644 4.113 6.831 188 HD11 LEU 27 HD11 LEU 27 0.970 3.510 4.824 189 HD12 LEU 27 HD12 LEU 27 2.474 3.676 3.918 190 HD13 LEU 27 HD13 LEU 27 1.886 5.014 4.906 191 HD21 LEU 27 HD21 LEU 27 1.312 1.810 5.871 192 HD22 LEU 27 HD22 LEU 27 1.833 2.165 7.518 193 HD23 LEU 27 HD23 LEU 27 2.910 1.303 6.419 194 H THR 28 HN THR 28 4.612 4.284 9.154 195 HA THR 28 HA THR 28 4.363 1.607 10.312 196 HB THR 28 HB THR 28 4.231 4.188 11.851 197 HG1 THR 28 HG1 THR 28 6.483 4.069 12.047 198 HG21 THR 28 HG21 THR 28 4.629 2.984 13.703 199 HG22 THR 28 HG22 THR 28 5.677 1.838 12.867 200 HG23 THR 28 HG23 THR 28 3.924 1.682 12.745 201 H TRP 29 HN TRP 29 2.529 0.914 11.397 202 HA TRP 29 HA TRP 29 0.144 2.614 11.230 203 HB2 TRP 29 HB2 TRP 29 -0.044 1.219 9.291 204 HB3 TRP 29 HB1 TRP 29 0.397 -0.218 10.206 205 HD1 TRP 29 HD1 TRP 29 -2.505 2.362 10.097 206 HE1 TRP 29 HE1 TRP 29 -4.680 1.126 10.703 207 HE3 TRP 29 HE3 TRP 29 -0.560 -2.254 11.119 208 HZ2 TRP 29 HZ2 TRP 29 -5.467 -1.462 11.509 209 HZ3 TRP 29 HZ3 TRP 29 -2.091 -4.055 11.802 210 HH2 TRP 29 HH2 TRP 29 -4.494 -3.665 11.993 211 H ARG 30 HN ARG 30 -0.444 2.880 13.281 212 HA ARG 30 HA ARG 30 -0.257 0.584 15.113 213 HB2 ARG 30 HB2 ARG 30 -0.195 3.557 15.589 214 HB3 ARG 30 HB1 ARG 30 -0.511 2.419 16.892 215 HG2 ARG 30 HG2 ARG 30 1.643 1.362 16.523 216 HG3 ARG 30 HG1 ARG 30 1.958 2.447 15.167 217 HD2 ARG 30 HD2 ARG 30 2.474 4.186 16.508 218 HD3 ARG 30 HD1 ARG 30 1.252 3.761 17.705 219 HE ARG 30 HE ARG 30 3.999 3.140 17.826 220 HH11 ARG 30 HH11 ARG 30 0.872 1.733 18.479 221 HH12 ARG 30 HH12 ARG 30 1.466 0.678 19.717 222 HH21 ARG 30 HH21 ARG 30 4.782 1.753 19.454 223 HH22 ARG 30 HH22 ARG 30 3.685 0.689 20.271 224 H SER 31 HN SER 31 -2.036 -0.183 16.123 225 HA SER 31 HA SER 31 -4.579 0.314 15.067 226 HB2 SER 31 HB2 SER 31 -5.363 -0.929 17.179 227 HB3 SER 31 HB1 SER 31 -4.267 -1.787 16.096 228 HG SER 31 HG SER 31 -2.626 -1.499 17.507 229 H THR 32 HN THR 32 -6.344 1.468 15.793 230 HA THR 32 HA THR 32 -5.865 3.926 17.049 231 HB THR 32 HB THR 32 -7.754 3.504 15.518 232 HG1 THR 32 HG1 THR 32 -8.090 5.277 16.720 233 HG21 THR 32 HG21 THR 32 -9.203 2.193 17.785 234 HG22 THR 32 HG22 THR 32 -8.355 1.260 16.552 235 HG23 THR 32 HG23 THR 32 -9.682 2.328 16.094 236 H ASP 33 HN ASP 33 -7.328 0.944 18.304 237 HA ASP 33 HA ASP 33 -6.860 1.971 21.025 238 HB2 ASP 33 HB2 ASP 33 -8.870 0.686 21.743 239 HB3 ASP 33 HB1 ASP 33 -9.246 1.995 20.627 240 H GLY 34 HN GLY 34 -7.194 -0.915 18.990 241 HA2 GLY 34 HA2 GLY 34 -6.408 -2.836 20.857 242 HA3 GLY 34 HA1 GLY 34 -6.197 -2.978 19.118 243 H ASP 35 HN ASP 35 -4.265 -4.200 19.983 244 HA ASP 35 HA ASP 35 -2.018 -2.326 20.340 245 HB2 ASP 35 HB2 ASP 35 -0.882 -4.260 21.542 246 HB3 ASP 35 HB1 ASP 35 -2.209 -3.484 22.402 247 H LYS 36 HN LYS 36 -3.155 -3.394 17.866 248 HA LYS 36 HA LYS 36 -1.014 -5.179 16.949 249 HB2 LYS 36 HB2 LYS 36 -3.670 -5.419 16.562 250 HB3 LYS 36 HB1 LYS 36 -3.252 -4.478 15.136 251 HG2 LYS 36 HG2 LYS 36 -2.926 -6.515 14.242 252 HG3 LYS 36 HG1 LYS 36 -1.343 -6.357 15.007 253 HD2 LYS 36 HD2 LYS 36 -1.797 -7.928 16.566 254 HD3 LYS 36 HD1 LYS 36 -3.484 -7.435 16.721 255 HE2 LYS 36 HE2 LYS 36 -3.494 -8.459 14.221 256 HE3 LYS 36 HE1 LYS 36 -2.249 -9.457 14.971 257 HZ1 LYS 36 HZ1 LYS 36 -5.025 -9.088 15.960 258 HZ2 LYS 36 HZ2 LYS 36 -3.832 -10.002 16.735 259 HZ3 LYS 36 HZ3 LYS 36 -4.406 -10.476 15.216 260 H VAL 37 HN VAL 37 0.656 -4.297 15.941 261 HA VAL 37 HA VAL 37 0.203 -1.946 14.237 262 HB VAL 37 HB VAL 37 1.164 -1.177 16.372 263 HG11 VAL 37 HG11 VAL 37 2.562 -3.496 16.395 264 HG12 VAL 37 HG12 VAL 37 2.955 -2.088 17.381 265 HG13 VAL 37 HG13 VAL 37 3.803 -2.363 15.859 266 HG21 VAL 37 HG21 VAL 37 3.373 -0.251 15.251 267 HG22 VAL 37 HG22 VAL 37 1.776 0.295 14.739 268 HG23 VAL 37 HG23 VAL 37 2.633 -0.928 13.801 269 H HIS 38 HN HIS 38 1.320 -1.915 12.341 270 HA HIS 38 HA HIS 38 3.326 -4.013 11.890 271 HB2 HIS 38 HB2 HIS 38 1.135 -4.748 10.977 272 HB3 HIS 38 HB1 HIS 38 1.107 -3.315 9.955 273 HD1 HIS 38 HD1 HIS 38 3.394 -6.304 10.537 274 HD2 HIS 38 HD2 HIS 38 2.148 -3.756 7.500 275 HE1 HIS 38 HE1 HIS 38 4.469 -7.182 8.440 276 HE2 HIS 38 HE2 HIS 38 3.633 -5.674 6.603 277 H THR 39 HN THR 39 4.882 -3.552 10.287 278 HA THR 39 HA THR 39 4.964 -0.733 9.430 279 HB THR 39 HB THR 39 7.520 -2.190 9.847 280 HG1 THR 39 HG1 THR 39 6.656 -2.722 11.766 281 HG21 THR 39 HG21 THR 39 6.612 0.619 10.416 282 HG22 THR 39 HG22 THR 39 7.650 0.080 9.096 283 HG23 THR 39 HG23 THR 39 8.223 -0.008 10.761 284 H VAL 40 HN VAL 40 5.780 -0.295 7.390 285 HA VAL 40 HA VAL 40 6.601 -2.551 5.719 286 HB VAL 40 HB VAL 40 4.179 -2.352 5.377 287 HG11 VAL 40 HG11 VAL 40 3.075 -0.425 5.034 288 HG12 VAL 40 HG12 VAL 40 4.340 0.235 3.998 289 HG13 VAL 40 HG13 VAL 40 4.507 0.312 5.752 290 HG21 VAL 40 HG21 VAL 40 4.242 -1.940 2.887 291 HG22 VAL 40 HG22 VAL 40 5.392 -3.130 3.496 292 HG23 VAL 40 HG23 VAL 40 5.939 -1.503 3.087 293 H VAL 41 HN VAL 41 8.394 -2.019 4.671 294 HA VAL 41 HA VAL 41 9.349 0.676 4.600 295 HB VAL 41 HB VAL 41 10.477 -1.706 3.127 296 HG11 VAL 41 HG11 VAL 41 11.513 0.211 2.284 297 HG12 VAL 41 HG12 VAL 41 12.621 -0.359 3.533 298 HG13 VAL 41 HG13 VAL 41 11.545 0.999 3.861 299 HG21 VAL 41 HG21 VAL 41 11.725 -2.291 5.009 300 HG22 VAL 41 HG22 VAL 41 10.123 -1.948 5.663 301 HG23 VAL 41 HG23 VAL 41 11.412 -0.753 5.812 302 H LEU 42 HN LEU 42 8.502 2.120 3.247 303 HA LEU 42 HA LEU 42 7.126 1.502 0.871 304 HB2 LEU 42 HB2 LEU 42 8.311 4.055 1.931 305 HB3 LEU 42 HB1 LEU 42 7.457 3.991 0.401 306 HG LEU 42 HG LEU 42 6.313 3.380 3.126 307 HD11 LEU 42 HD11 LEU 42 6.531 5.731 2.796 308 HD12 LEU 42 HD12 LEU 42 4.836 5.310 2.548 309 HD13 LEU 42 HD13 LEU 42 5.881 5.619 1.161 310 HD21 LEU 42 HD21 LEU 42 4.184 3.473 1.473 311 HD22 LEU 42 HD22 LEU 42 4.991 1.980 1.953 312 HD23 LEU 42 HD23 LEU 42 5.380 2.736 0.407 313 H SER 43 HN SER 43 10.486 1.898 1.543 314 HA SER 43 HA SER 43 11.498 2.735 -0.898 315 HB2 SER 43 HB2 SER 43 12.610 1.978 1.459 316 HB3 SER 43 HB1 SER 43 13.035 0.597 0.448 317 HG SER 43 HG SER 43 13.582 3.326 -0.117 318 H THR 44 HN THR 44 10.714 -0.557 0.172 319 HA THR 44 HA THR 44 11.596 -1.899 -2.127 320 HB THR 44 HB THR 44 11.055 -3.031 -0.005 321 HG1 THR 44 HG1 THR 44 10.653 -4.773 -1.093 322 HG21 THR 44 HG21 THR 44 8.554 -1.733 -0.270 323 HG22 THR 44 HG22 THR 44 9.135 -2.759 1.042 324 HG23 THR 44 HG23 THR 44 8.282 -3.474 -0.326 325 H ILE 45 HN ILE 45 8.678 -0.121 -1.458 326 HA ILE 45 HA ILE 45 7.042 -1.148 -3.502 327 HB ILE 45 HB ILE 45 7.006 1.675 -2.431 328 HG12 ILE 45 HG12 ILE 45 6.935 0.126 -0.564 329 HG13 ILE 45 HG11 ILE 45 5.333 0.814 -0.808 330 HG21 ILE 45 HG21 ILE 45 5.652 1.385 -4.417 331 HG22 ILE 45 HG22 ILE 45 4.614 1.574 -3.004 332 HG23 ILE 45 HG23 ILE 45 4.866 -0.024 -3.705 333 HD11 ILE 45 HD11 ILE 45 5.356 -1.502 -2.345 334 HD12 ILE 45 HD12 ILE 45 4.550 -1.254 -0.796 335 HD13 ILE 45 HD13 ILE 45 6.176 -1.934 -0.844 336 H ASP 46 HN ASP 46 6.493 -0.244 -5.546 337 HA ASP 46 HA ASP 46 8.601 1.437 -6.733 338 HB2 ASP 46 HB2 ASP 46 8.436 -1.130 -7.352 339 HB3 ASP 46 HB1 ASP 46 7.147 -0.565 -8.410 340 H LYS 47 HN LYS 47 5.249 0.305 -7.095 341 HA LYS 47 HA LYS 47 4.555 2.975 -8.105 342 HB2 LYS 47 HB2 LYS 47 4.190 1.979 -10.096 343 HB3 LYS 47 HB1 LYS 47 4.199 0.368 -9.396 344 HG2 LYS 47 HG2 LYS 47 1.886 0.583 -8.758 345 HG3 LYS 47 HG1 LYS 47 1.856 2.258 -9.313 346 HD2 LYS 47 HD2 LYS 47 0.837 0.797 -10.969 347 HD3 LYS 47 HD1 LYS 47 2.331 1.494 -11.600 348 HE2 LYS 47 HE2 LYS 47 2.615 -1.088 -10.211 349 HE3 LYS 47 HE1 LYS 47 1.709 -1.134 -11.723 350 HZ1 LYS 47 HZ1 LYS 47 3.777 0.317 -12.486 351 HZ2 LYS 47 HZ2 LYS 47 3.781 -1.373 -12.556 352 HZ3 LYS 47 HZ3 LYS 47 4.532 -0.579 -11.265 353 H LEU 48 HN LEU 48 2.278 3.546 -7.793 354 HA LEU 48 HA LEU 48 0.980 2.056 -5.617 355 HB2 LEU 48 HB2 LEU 48 0.314 4.275 -4.640 356 HB3 LEU 48 HB1 LEU 48 2.011 3.860 -4.487 357 HG LEU 48 HG LEU 48 2.333 5.293 -6.617 358 HD11 LEU 48 HD11 LEU 48 -0.488 5.809 -5.918 359 HD12 LEU 48 HD12 LEU 48 0.332 5.891 -7.477 360 HD13 LEU 48 HD13 LEU 48 0.492 7.217 -6.326 361 HD21 LEU 48 HD21 LEU 48 1.551 7.081 -4.414 362 HD22 LEU 48 HD22 LEU 48 3.089 6.924 -5.261 363 HD23 LEU 48 HD23 LEU 48 2.667 5.785 -3.983 364 H GLN 49 HN GLN 49 -1.303 2.312 -5.483 365 HA GLN 49 HA GLN 49 -2.649 3.742 -7.626 366 HB2 GLN 49 HB2 GLN 49 -2.002 1.183 -8.159 367 HB3 GLN 49 HB1 GLN 49 -3.530 0.927 -7.327 368 HG2 GLN 49 HG2 GLN 49 -3.062 2.583 -9.794 369 HG3 GLN 49 HG1 GLN 49 -3.928 1.050 -9.684 370 HE21 GLN 49 HE21 GLN 49 -4.371 4.229 -10.046 371 HE22 GLN 49 HE22 GLN 49 -5.935 4.414 -9.336 372 H ALA 50 HN ALA 50 -4.619 4.472 -7.032 373 HA ALA 50 HA ALA 50 -5.737 3.455 -4.501 374 HB1 ALA 50 HB1 ALA 50 -4.885 5.576 -3.959 375 HB2 ALA 50 HB2 ALA 50 -6.613 5.829 -4.207 376 HB3 ALA 50 HB3 ALA 50 -5.466 6.287 -5.465 377 H THR 51 HN THR 51 -8.065 3.746 -4.258 378 HA THR 51 HA THR 51 -9.450 3.008 -6.659 379 HB THR 51 HB THR 51 -11.467 3.204 -4.979 380 HG1 THR 51 HG1 THR 51 -10.711 4.102 -3.210 381 HG21 THR 51 HG21 THR 51 -9.612 1.108 -4.057 382 HG22 THR 51 HG22 THR 51 -10.018 1.111 -5.774 383 HG23 THR 51 HG23 THR 51 -11.298 0.998 -4.566 384 HA PRO 52 HA PRO 52 -11.090 6.896 -7.918 385 HB2 PRO 52 HB2 PRO 52 -13.631 6.285 -8.651 386 HB3 PRO 52 HB1 PRO 52 -12.217 5.800 -9.594 387 HG2 PRO 52 HG2 PRO 52 -13.830 4.204 -7.641 388 HG3 PRO 52 HG1 PRO 52 -13.193 3.721 -9.224 389 HD2 PRO 52 HD2 PRO 52 -11.991 3.029 -6.900 390 HD3 PRO 52 HD1 PRO 52 -11.079 3.325 -8.394 391 H ALA 53 HN ALA 53 -11.988 8.664 -7.010 392 HA ALA 53 HA ALA 53 -12.948 8.622 -4.384 393 HB1 ALA 53 HB1 ALA 53 -12.811 10.675 -6.532 394 HB2 ALA 53 HB2 ALA 53 -12.075 10.664 -4.930 395 HB3 ALA 53 HB3 ALA 53 -13.795 11.011 -5.108 396 H SER 54 HN SER 54 -14.611 8.379 -7.439 397 HA SER 54 HA SER 54 -17.213 9.008 -6.529 398 HB2 SER 54 HB2 SER 54 -16.301 7.309 -8.863 399 HB3 SER 54 HB1 SER 54 -17.965 7.828 -8.596 400 HG SER 54 HG SER 54 -17.027 10.029 -8.581 401 H SER 55 HN SER 55 -15.296 6.090 -6.465 402 HA SER 55 HA SER 55 -17.409 4.278 -5.920 403 HB2 SER 55 HB2 SER 55 -14.431 4.202 -5.733 404 HB3 SER 55 HB1 SER 55 -15.347 2.966 -4.871 405 HG SER 55 HG SER 55 -16.458 2.669 -6.976 406 H GLU 56 HN GLU 56 -17.558 3.036 -3.841 407 HA GLU 56 HA GLU 56 -17.732 4.939 -1.638 408 HB2 GLU 56 HB2 GLU 56 -18.984 2.307 -2.270 409 HB3 GLU 56 HB1 GLU 56 -18.848 2.776 -0.581 410 HG2 GLU 56 HG2 GLU 56 -19.950 4.976 -1.321 411 HG3 GLU 56 HG1 GLU 56 -20.396 4.088 -2.778 412 H LYS 57 HN LYS 57 -16.333 1.754 -2.340 413 HA LYS 57 HA LYS 57 -15.056 1.518 0.204 414 HB2 LYS 57 HB2 LYS 57 -15.670 -0.252 -1.751 415 HB3 LYS 57 HB1 LYS 57 -13.961 -0.007 -2.080 416 HG2 LYS 57 HG2 LYS 57 -13.684 -1.653 -0.590 417 HG3 LYS 57 HG1 LYS 57 -13.908 -0.368 0.599 418 HD2 LYS 57 HD2 LYS 57 -15.941 -1.124 1.222 419 HD3 LYS 57 HD1 LYS 57 -16.385 -1.588 -0.422 420 HE2 LYS 57 HE2 LYS 57 -15.630 -3.697 -0.169 421 HE3 LYS 57 HE1 LYS 57 -14.249 -3.195 0.805 422 HZ1 LYS 57 HZ1 LYS 57 -17.049 -3.531 1.729 423 HZ2 LYS 57 HZ2 LYS 57 -15.811 -2.876 2.677 424 HZ3 LYS 57 HZ3 LYS 57 -15.716 -4.482 2.155 425 H MET 58 HN MET 58 -13.892 3.467 0.435 426 HA MET 58 HA MET 58 -11.851 4.185 -1.461 427 HB2 MET 58 HB2 MET 58 -12.376 5.232 1.327 428 HB3 MET 58 HB1 MET 58 -11.288 5.955 0.150 429 HG2 MET 58 HG2 MET 58 -13.139 6.449 -1.316 430 HG3 MET 58 HG1 MET 58 -14.255 5.627 -0.227 431 HE1 MET 58 HE1 MET 58 -12.997 6.625 2.625 432 HE2 MET 58 HE2 MET 58 -14.714 6.443 2.265 433 HE3 MET 58 HE3 MET 58 -14.109 7.958 2.935 434 H MET 59 HN MET 59 -9.990 3.134 -1.606 435 HA MET 59 HA MET 59 -8.472 2.540 0.793 436 HB2 MET 59 HB2 MET 59 -9.094 0.341 -1.184 437 HB3 MET 59 HB1 MET 59 -8.128 0.201 0.278 438 HG2 MET 59 HG2 MET 59 -10.220 0.866 1.547 439 HG3 MET 59 HG1 MET 59 -11.091 0.596 0.038 440 HE1 MET 59 HE1 MET 59 -10.595 -1.344 -1.379 441 HE2 MET 59 HE2 MET 59 -11.135 -2.888 -0.718 442 HE3 MET 59 HE3 MET 59 -9.412 -2.568 -0.918 443 H LEU 60 HN LEU 60 -6.258 1.722 0.235 444 HA LEU 60 HA LEU 60 -5.386 2.761 -2.382 445 HB2 LEU 60 HB2 LEU 60 -4.750 4.318 -0.630 446 HB3 LEU 60 HB1 LEU 60 -4.002 3.024 0.287 447 HG LEU 60 HG LEU 60 -2.352 2.732 -1.556 448 HD11 LEU 60 HD11 LEU 60 -3.309 5.362 -2.627 449 HD12 LEU 60 HD12 LEU 60 -3.935 3.834 -3.247 450 HD13 LEU 60 HD13 LEU 60 -2.212 4.194 -3.364 451 HD21 LEU 60 HD21 LEU 60 -1.874 4.094 0.444 452 HD22 LEU 60 HD22 LEU 60 -2.464 5.519 -0.411 453 HD23 LEU 60 HD23 LEU 60 -1.029 4.675 -0.991 454 H ARG 61 HN ARG 61 -3.435 1.806 -3.242 455 HA ARG 61 HA ARG 61 -2.601 -0.725 -2.051 456 HB2 ARG 61 HB2 ARG 61 -4.418 -1.359 -3.543 457 HB3 ARG 61 HB1 ARG 61 -3.672 -0.475 -4.867 458 HG2 ARG 61 HG2 ARG 61 -2.408 -2.213 -5.411 459 HG3 ARG 61 HG1 ARG 61 -1.830 -2.390 -3.753 460 HD2 ARG 61 HD2 ARG 61 -3.287 -4.040 -3.290 461 HD3 ARG 61 HD1 ARG 61 -4.594 -3.274 -4.191 462 HE ARG 61 HE ARG 61 -2.919 -4.159 -6.131 463 HH11 ARG 61 HH11 ARG 61 -4.455 -5.689 -3.396 464 HH12 ARG 61 HH12 ARG 61 -4.551 -7.241 -4.158 465 HH21 ARG 61 HH21 ARG 61 -3.044 -6.199 -7.136 466 HH22 ARG 61 HH22 ARG 61 -3.749 -7.531 -6.281 467 H LEU 62 HN LEU 62 -0.465 -0.908 -2.118 468 HA LEU 62 HA LEU 62 1.012 0.716 -4.081 469 HB2 LEU 62 HB2 LEU 62 2.060 -0.341 -1.460 470 HB3 LEU 62 HB1 LEU 62 2.832 0.821 -2.521 471 HG LEU 62 HG LEU 62 1.995 2.078 -0.717 472 HD11 LEU 62 HD11 LEU 62 1.120 2.540 -3.282 473 HD12 LEU 62 HD12 LEU 62 1.026 3.674 -1.935 474 HD13 LEU 62 HD13 LEU 62 -0.358 2.655 -2.328 475 HD21 LEU 62 HD21 LEU 62 -0.013 1.777 0.373 476 HD22 LEU 62 HD22 LEU 62 0.394 0.124 -0.089 477 HD23 LEU 62 HD23 LEU 62 -0.786 1.037 -1.029 478 H ILE 63 HN ILE 63 2.086 -0.337 -5.607 479 HA ILE 63 HA ILE 63 2.350 -3.222 -5.453 480 HB ILE 63 HB ILE 63 3.267 -1.436 -7.701 481 HG12 ILE 63 HG12 ILE 63 0.907 -0.982 -7.267 482 HG13 ILE 63 HG11 ILE 63 1.084 -1.898 -8.760 483 HG21 ILE 63 HG21 ILE 63 2.949 -4.352 -7.296 484 HG22 ILE 63 HG22 ILE 63 4.147 -3.460 -8.233 485 HG23 ILE 63 HG23 ILE 63 2.525 -3.705 -8.880 486 HD11 ILE 63 HD11 ILE 63 0.421 -3.927 -7.625 487 HD12 ILE 63 HD12 ILE 63 -0.796 -2.671 -7.402 488 HD13 ILE 63 HD13 ILE 63 0.320 -3.060 -6.093 489 H GLY 64 HN GLY 64 4.196 -4.340 -5.150 490 HA2 GLY 64 HA2 GLY 64 6.485 -2.961 -4.129 491 HA3 GLY 64 HA1 GLY 64 6.336 -4.695 -4.367 492 H LYS 65 HN LYS 65 8.614 -4.451 -5.036 493 HA LYS 65 HA LYS 65 8.888 -3.428 -7.779 494 HB2 LYS 65 HB2 LYS 65 10.790 -3.760 -5.502 495 HB3 LYS 65 HB1 LYS 65 11.420 -3.865 -7.140 496 HG2 LYS 65 HG2 LYS 65 10.524 -1.645 -7.629 497 HG3 LYS 65 HG1 LYS 65 9.895 -1.540 -5.984 498 HD2 LYS 65 HD2 LYS 65 12.054 -1.470 -5.050 499 HD3 LYS 65 HD1 LYS 65 12.807 -2.022 -6.548 500 HE2 LYS 65 HE2 LYS 65 12.561 0.044 -7.581 501 HE3 LYS 65 HE1 LYS 65 11.283 0.553 -6.478 502 HZ1 LYS 65 HZ1 LYS 65 12.974 1.720 -5.582 503 HZ2 LYS 65 HZ2 LYS 65 14.172 0.671 -6.153 504 HZ3 LYS 65 HZ3 LYS 65 13.285 0.268 -4.770 505 H VAL 66 HN VAL 66 10.194 -4.684 -9.285 506 HA VAL 66 HA VAL 66 9.751 -7.564 -8.906 507 HB VAL 66 HB VAL 66 10.334 -6.110 -11.489 508 HG11 VAL 66 HG11 VAL 66 10.922 -8.385 -11.721 509 HG12 VAL 66 HG12 VAL 66 9.322 -8.225 -12.446 510 HG13 VAL 66 HG13 VAL 66 9.494 -8.923 -10.836 511 HG21 VAL 66 HG21 VAL 66 8.054 -5.802 -10.042 512 HG22 VAL 66 HG22 VAL 66 7.640 -7.190 -11.047 513 HG23 VAL 66 HG23 VAL 66 8.149 -5.678 -11.798 514 H ASP 67 HN ASP 67 11.378 -9.054 -9.718 515 HA ASP 67 HA ASP 67 14.001 -8.210 -10.379 516 HB2 ASP 67 HB2 ASP 67 13.580 -7.864 -7.739 517 HB3 ASP 67 HB1 ASP 67 14.089 -9.550 -7.735 518 H GLU 68 HN GLU 68 14.861 -9.801 -11.536 519 HA GLU 68 HA GLU 68 14.281 -12.581 -10.817 520 HB2 GLU 68 HB2 GLU 68 13.842 -13.156 -13.164 521 HB3 GLU 68 HB1 GLU 68 12.663 -12.006 -12.549 522 HG2 GLU 68 HG2 GLU 68 13.579 -10.237 -13.775 523 HG3 GLU 68 HG1 GLU 68 15.075 -11.115 -14.086 524 H SER 69 HN SER 69 16.632 -11.013 -10.414 525 HA SER 69 HA SER 69 18.511 -12.599 -12.010 526 HB2 SER 69 HB2 SER 69 20.002 -10.623 -12.234 527 HB3 SER 69 HB1 SER 69 18.468 -10.413 -13.079 528 HG SER 69 HG SER 69 18.364 -8.636 -11.962 529 H LYS 70 HN LYS 70 18.518 -10.146 -9.415 530 HA LYS 70 HA LYS 70 20.747 -11.169 -8.063 531 HB2 LYS 70 HB2 LYS 70 18.495 -9.348 -7.324 532 HB3 LYS 70 HB1 LYS 70 19.553 -9.944 -6.052 533 HG2 LYS 70 HG2 LYS 70 20.653 -8.033 -6.572 534 HG3 LYS 70 HG1 LYS 70 21.426 -9.118 -7.729 535 HD2 LYS 70 HD2 LYS 70 19.266 -8.307 -9.151 536 HD3 LYS 70 HD1 LYS 70 19.582 -6.869 -8.178 537 HE2 LYS 70 HE2 LYS 70 21.897 -6.848 -8.956 538 HE3 LYS 70 HE1 LYS 70 21.595 -8.298 -9.912 539 HZ1 LYS 70 HZ1 LYS 70 20.817 -5.541 -10.423 540 HZ2 LYS 70 HZ2 LYS 70 19.683 -6.724 -10.841 541 HZ3 LYS 70 HZ3 LYS 70 21.235 -6.768 -11.510 542 H LYS 71 HN LYS 71 17.277 -11.655 -7.442 543 HA LYS 71 HA LYS 71 16.142 -13.279 -6.327 544 HB2 LYS 71 HB2 LYS 71 18.672 -14.836 -6.882 545 HB3 LYS 71 HB1 LYS 71 17.198 -15.544 -6.238 546 HG2 LYS 71 HG2 LYS 71 17.263 -14.064 -8.848 547 HG3 LYS 71 HG1 LYS 71 17.595 -15.792 -8.723 548 HD2 LYS 71 HD2 LYS 71 15.084 -14.523 -7.652 549 HD3 LYS 71 HD1 LYS 71 15.214 -15.157 -9.294 550 HE2 LYS 71 HE2 LYS 71 15.669 -16.733 -6.762 551 HE3 LYS 71 HE1 LYS 71 14.209 -16.782 -7.749 552 HZ1 LYS 71 HZ1 LYS 71 15.390 -18.597 -8.493 553 HZ2 LYS 71 HZ2 LYS 71 16.891 -17.829 -8.362 554 HZ3 LYS 71 HZ3 LYS 71 15.840 -17.419 -9.622 555 H ARG 72 HN ARG 72 16.139 -14.631 -4.314 556 HA ARG 72 HA ARG 72 18.224 -14.010 -2.390 557 HB2 ARG 72 HB2 ARG 72 15.422 -12.947 -2.214 558 HB3 ARG 72 HB1 ARG 72 16.342 -13.278 -0.753 559 HG2 ARG 72 HG2 ARG 72 16.980 -11.140 -0.988 560 HG3 ARG 72 HG1 ARG 72 18.143 -11.822 -2.127 561 HD2 ARG 72 HD2 ARG 72 16.988 -11.080 -3.963 562 HD3 ARG 72 HD1 ARG 72 15.436 -11.092 -3.125 563 HE ARG 72 HE ARG 72 17.162 -9.129 -2.027 564 HH11 ARG 72 HH11 ARG 72 15.136 -9.775 -4.794 565 HH12 ARG 72 HH12 ARG 72 14.826 -8.102 -5.115 566 HH21 ARG 72 HH21 ARG 72 16.756 -6.928 -2.447 567 HH22 ARG 72 HH22 ARG 72 15.746 -6.485 -3.783 568 H LYS 73 HN LYS 73 17.354 -14.915 -0.118 569 HA LYS 73 HA LYS 73 15.775 -17.327 -0.442 570 HB2 LYS 73 HB2 LYS 73 18.725 -17.327 -0.064 571 HB3 LYS 73 HB1 LYS 73 17.795 -18.509 0.847 572 HG2 LYS 73 HG2 LYS 73 16.721 -18.872 -1.583 573 HG3 LYS 73 HG1 LYS 73 18.340 -18.342 -2.044 574 HD2 LYS 73 HD2 LYS 73 18.236 -20.341 0.114 575 HD3 LYS 73 HD1 LYS 73 17.679 -20.904 -1.464 576 HE2 LYS 73 HE2 LYS 73 19.848 -19.821 -2.355 577 HE3 LYS 73 HE1 LYS 73 20.373 -19.858 -0.673 578 HZ1 LYS 73 HZ1 LYS 73 19.538 -22.348 -0.937 579 HZ2 LYS 73 HZ2 LYS 73 21.119 -21.878 -1.309 580 HZ3 LYS 73 HZ3 LYS 73 19.978 -22.055 -2.545 581 H ASP 74 HN ASP 74 14.413 -17.282 1.209 582 HA ASP 74 HA ASP 74 15.370 -17.012 3.911 583 HB2 ASP 74 HB2 ASP 74 13.791 -14.835 2.588 584 HB3 ASP 74 HB1 ASP 74 13.554 -15.160 4.303 585 H ASN 75 HN ASN 75 14.507 -19.082 4.154 586 HA ASN 75 HA ASN 75 11.806 -19.193 4.988 587 HB2 ASN 75 HB2 ASN 75 12.432 -20.060 2.224 588 HB3 ASN 75 HB1 ASN 75 11.421 -21.150 3.168 589 HD21 ASN 75 HD21 ASN 75 10.405 -20.005 0.946 590 HD22 ASN 75 HD22 ASN 75 9.224 -18.816 1.366 591 H GLU 76 HN GLU 76 13.733 -21.689 3.349 592 HA GLU 76 HA GLU 76 14.908 -22.789 5.643 593 HB2 GLU 76 HB2 GLU 76 12.269 -23.244 5.802 594 HB3 GLU 76 HB1 GLU 76 12.726 -24.626 4.815 595 HG2 GLU 76 HG2 GLU 76 13.743 -25.670 6.515 596 HG3 GLU 76 HG1 GLU 76 14.424 -24.178 7.162 597 H GLY 77 HN GLY 77 15.617 -22.236 2.960 598 HA2 GLY 77 HA2 GLY 77 17.243 -23.385 1.670 599 HA3 GLY 77 HA1 GLY 77 16.530 -24.909 2.176 600 H ASN 78 HN ASN 78 15.822 -22.010 0.247 601 HA ASN 78 HA ASN 78 15.124 -23.441 -2.059 602 HB2 ASN 78 HB2 ASN 78 12.957 -23.020 -0.110 603 HB3 ASN 78 HB1 ASN 78 12.574 -22.501 -1.749 604 HD21 ASN 78 HD21 ASN 78 12.466 -25.030 0.335 605 HD22 ASN 78 HD22 ASN 78 12.368 -26.334 -0.794 606 H GLU 79 HN GLU 79 15.330 -22.086 -3.723 607 HA GLU 79 HA GLU 79 15.637 -19.264 -3.215 608 HB2 GLU 79 HB2 GLU 79 15.755 -20.752 -5.844 609 HB3 GLU 79 HB1 GLU 79 16.327 -19.117 -5.543 610 HG2 GLU 79 HG2 GLU 79 17.704 -20.534 -3.671 611 HG3 GLU 79 HG1 GLU 79 17.601 -21.690 -4.998 612 H VAL 80 HN VAL 80 14.134 -17.749 -3.452 613 HA VAL 80 HA VAL 80 11.653 -18.459 -4.874 614 HB VAL 80 HB VAL 80 11.950 -16.287 -2.802 615 HG11 VAL 80 HG11 VAL 80 9.747 -15.903 -3.044 616 HG12 VAL 80 HG12 VAL 80 9.369 -17.610 -3.273 617 HG13 VAL 80 HG13 VAL 80 9.980 -16.654 -4.622 618 HG21 VAL 80 HG21 VAL 80 12.481 -18.379 -1.723 619 HG22 VAL 80 HG22 VAL 80 11.060 -19.145 -2.432 620 HG23 VAL 80 HG23 VAL 80 10.866 -17.867 -1.233 621 H VAL 81 HN VAL 81 10.806 -17.083 -6.394 622 HA VAL 81 HA VAL 81 12.633 -15.026 -7.389 623 HB VAL 81 HB VAL 81 10.168 -16.116 -8.747 624 HG11 VAL 81 HG11 VAL 81 11.031 -15.138 -10.735 625 HG12 VAL 81 HG12 VAL 81 12.560 -14.741 -9.952 626 HG13 VAL 81 HG13 VAL 81 11.085 -13.896 -9.484 627 HG21 VAL 81 HG21 VAL 81 11.972 -17.825 -8.192 628 HG22 VAL 81 HG22 VAL 81 12.996 -16.949 -9.329 629 HG23 VAL 81 HG23 VAL 81 11.494 -17.689 -9.884 630 HA PRO 82 HA PRO 82 10.171 -11.947 -5.134 631 HB2 PRO 82 HB2 PRO 82 11.665 -10.463 -7.284 632 HB3 PRO 82 HB1 PRO 82 11.303 -9.955 -5.623 633 HG2 PRO 82 HG2 PRO 82 13.667 -10.956 -6.109 634 HG3 PRO 82 HG1 PRO 82 12.758 -11.537 -4.698 635 HD2 PRO 82 HD2 PRO 82 13.230 -12.887 -7.319 636 HD3 PRO 82 HD1 PRO 82 13.137 -13.584 -5.689 637 H LYS 83 HN LYS 83 8.234 -12.736 -5.886 638 HA LYS 83 HA LYS 83 7.207 -12.166 -8.492 639 HB2 LYS 83 HB2 LYS 83 6.126 -13.320 -5.972 640 HB3 LYS 83 HB1 LYS 83 4.968 -12.679 -7.128 641 HG2 LYS 83 HG2 LYS 83 5.334 -14.331 -8.623 642 HG3 LYS 83 HG1 LYS 83 7.045 -14.471 -8.214 643 HD2 LYS 83 HD2 LYS 83 6.587 -15.786 -6.311 644 HD3 LYS 83 HD1 LYS 83 4.871 -15.373 -6.343 645 HE2 LYS 83 HE2 LYS 83 4.392 -16.927 -7.910 646 HE3 LYS 83 HE1 LYS 83 5.911 -16.678 -8.769 647 HZ1 LYS 83 HZ1 LYS 83 5.410 -18.869 -7.413 648 HZ2 LYS 83 HZ2 LYS 83 6.050 -17.951 -6.145 649 HZ3 LYS 83 HZ3 LYS 83 6.973 -18.233 -7.534 650 HA PRO 84 HA PRO 84 5.834 -7.993 -8.220 651 HB2 PRO 84 HB2 PRO 84 3.225 -8.992 -9.258 652 HB3 PRO 84 HB1 PRO 84 4.257 -7.693 -9.868 653 HG2 PRO 84 HG2 PRO 84 4.161 -10.045 -11.111 654 HG3 PRO 84 HG1 PRO 84 5.690 -9.161 -10.952 655 HD2 PRO 84 HD2 PRO 84 4.719 -11.556 -9.459 656 HD3 PRO 84 HD1 PRO 84 6.363 -11.143 -9.987 657 H GLN 85 HN GLN 85 5.750 -7.888 -5.924 658 HA GLN 85 HA GLN 85 3.523 -8.804 -4.420 659 HB2 GLN 85 HB2 GLN 85 5.700 -6.805 -3.807 660 HB3 GLN 85 HB1 GLN 85 4.468 -7.269 -2.642 661 HG2 GLN 85 HG2 GLN 85 5.242 -9.504 -2.577 662 HG3 GLN 85 HG1 GLN 85 6.284 -9.254 -3.976 663 HE21 GLN 85 HE21 GLN 85 5.778 -8.352 -0.614 664 HE22 GLN 85 HE22 GLN 85 7.430 -7.985 -0.271 665 H ARG 86 HN ARG 86 1.780 -7.673 -3.568 666 HA ARG 86 HA ARG 86 1.378 -4.893 -4.275 667 HB2 ARG 86 HB2 ARG 86 -0.677 -6.902 -5.183 668 HB3 ARG 86 HB1 ARG 86 -0.598 -5.187 -5.561 669 HG2 ARG 86 HG2 ARG 86 1.422 -5.575 -6.887 670 HG3 ARG 86 HG1 ARG 86 1.325 -7.298 -6.517 671 HD2 ARG 86 HD2 ARG 86 -0.392 -7.646 -7.952 672 HD3 ARG 86 HD1 ARG 86 -1.108 -6.064 -7.647 673 HE ARG 86 HE ARG 86 1.295 -5.724 -9.058 674 HH11 ARG 86 HH11 ARG 86 -1.933 -6.962 -9.532 675 HH12 ARG 86 HH12 ARG 86 -1.952 -6.614 -11.228 676 HH21 ARG 86 HH21 ARG 86 1.272 -5.266 -11.289 677 HH22 ARG 86 HH22 ARG 86 -0.133 -5.652 -12.226 678 H HIS 87 HN HIS 87 0.964 -4.184 -2.271 679 HA HIS 87 HA HIS 87 -0.981 -5.663 -0.633 680 HB2 HIS 87 HB2 HIS 87 0.933 -3.514 0.290 681 HB3 HIS 87 HB1 HIS 87 -0.023 -4.596 1.298 682 HD1 HIS 87 HD1 HIS 87 0.806 -7.051 1.519 683 HD2 HIS 87 HD2 HIS 87 3.305 -4.585 -0.703 684 HE1 HIS 87 HE1 HIS 87 2.967 -8.316 1.289 685 HE2 HIS 87 HE2 HIS 87 4.492 -6.767 0.015 686 H MET 88 HN MET 88 -2.640 -4.519 0.462 687 HA MET 88 HA MET 88 -3.165 -1.795 -0.494 688 HB2 MET 88 HB2 MET 88 -5.605 -2.473 -0.724 689 HB3 MET 88 HB1 MET 88 -4.509 -3.062 -1.967 690 HG2 MET 88 HG2 MET 88 -5.838 -4.897 -1.473 691 HG3 MET 88 HG1 MET 88 -4.356 -5.192 -0.566 692 HE1 MET 88 HE1 MET 88 -8.381 -3.849 1.233 693 HE2 MET 88 HE2 MET 88 -8.195 -4.504 -0.393 694 HE3 MET 88 HE3 MET 88 -7.515 -2.927 0.005 695 H PHE 89 HN PHE 89 -4.463 -0.523 0.865 696 HA PHE 89 HA PHE 89 -4.993 -1.659 3.529 697 HB2 PHE 89 HB2 PHE 89 -3.832 1.071 2.929 698 HB3 PHE 89 HB1 PHE 89 -4.293 0.492 4.526 699 HD1 PHE 89 HD1 PHE 89 -1.903 0.097 1.763 700 HD2 PHE 89 HD2 PHE 89 -2.901 -1.003 5.751 701 HE1 PHE 89 HE1 PHE 89 0.345 -0.859 2.058 702 HE2 PHE 89 HE2 PHE 89 -0.655 -1.960 6.054 703 HZ PHE 89 HZ PHE 89 0.972 -1.889 4.206 704 H SER 90 HN SER 90 -6.831 -0.947 4.573 705 HA SER 90 HA SER 90 -8.847 0.228 2.864 706 HB2 SER 90 HB2 SER 90 -8.810 -1.243 5.435 707 HB3 SER 90 HB1 SER 90 -10.115 -0.075 5.233 708 HG SER 90 HG SER 90 -10.519 -2.279 4.453 709 H PHE 91 HN PHE 91 -10.031 2.111 3.322 710 HA PHE 91 HA PHE 91 -8.948 3.887 5.387 711 HB2 PHE 91 HB2 PHE 91 -9.047 4.413 2.438 712 HB3 PHE 91 HB1 PHE 91 -9.229 5.752 3.567 713 HD1 PHE 91 HD1 PHE 91 -6.973 2.936 2.686 714 HD2 PHE 91 HD2 PHE 91 -7.359 6.772 4.489 715 HE1 PHE 91 HE1 PHE 91 -4.527 3.073 2.910 716 HE2 PHE 91 HE2 PHE 91 -4.914 6.916 4.715 717 HZ PHE 91 HZ PHE 91 -3.494 5.066 3.924 718 H ASN 92 HN ASN 92 -10.354 5.923 5.549 719 HA ASN 92 HA ASN 92 -13.158 5.363 4.908 720 HB2 ASN 92 HB2 ASN 92 -13.750 6.166 7.249 721 HB3 ASN 92 HB1 ASN 92 -13.033 4.562 7.138 722 HD21 ASN 92 HD21 ASN 92 -11.724 4.215 8.767 723 HD22 ASN 92 HD22 ASN 92 -10.623 5.353 9.456 724 H ASN 93 HN ASN 93 -11.244 7.203 3.769 725 HA ASN 93 HA ASN 93 -12.838 9.552 3.764 726 HB2 ASN 93 HB2 ASN 93 -11.199 9.553 5.907 727 HB3 ASN 93 HB1 ASN 93 -10.118 10.257 4.708 728 HD21 ASN 93 HD21 ASN 93 -13.238 10.596 6.280 729 HD22 ASN 93 HD22 ASN 93 -13.391 12.297 6.025 730 H ARG 94 HN ARG 94 -12.284 10.975 2.095 731 HA ARG 94 HA ARG 94 -10.638 9.794 0.037 732 HB2 ARG 94 HB2 ARG 94 -12.192 12.388 0.036 733 HB3 ARG 94 HB1 ARG 94 -11.461 11.627 -1.371 734 HG2 ARG 94 HG2 ARG 94 -12.953 9.722 -1.141 735 HG3 ARG 94 HG1 ARG 94 -13.665 10.441 0.305 736 HD2 ARG 94 HD2 ARG 94 -14.114 12.470 -1.272 737 HD3 ARG 94 HD1 ARG 94 -13.918 11.275 -2.553 738 HE ARG 94 HE ARG 94 -15.697 10.125 -0.847 739 HH11 ARG 94 HH11 ARG 94 -15.566 13.183 -2.524 740 HH12 ARG 94 HH12 ARG 94 -17.287 13.329 -2.652 741 HH21 ARG 94 HH21 ARG 94 -17.961 10.314 -1.016 742 HH22 ARG 94 HH22 ARG 94 -18.647 11.701 -1.796 743 H THR 95 HN THR 95 -10.697 12.912 1.763 744 HA THR 95 HA THR 95 -8.344 13.950 0.662 745 HB THR 95 HB THR 95 -9.515 14.475 3.401 746 HG1 THR 95 HG1 THR 95 -9.917 15.895 0.984 747 HG21 THR 95 HG21 THR 95 -7.833 16.327 1.741 748 HG22 THR 95 HG22 THR 95 -7.194 15.337 3.055 749 HG23 THR 95 HG23 THR 95 -8.413 16.568 3.389 750 H VAL 96 HN VAL 96 -8.850 12.143 3.682 751 HA VAL 96 HA VAL 96 -6.200 12.170 4.575 752 HB VAL 96 HB VAL 96 -8.171 9.928 5.020 753 HG11 VAL 96 HG11 VAL 96 -5.566 10.062 5.761 754 HG12 VAL 96 HG12 VAL 96 -6.808 9.167 6.637 755 HG13 VAL 96 HG13 VAL 96 -6.355 10.788 7.161 756 HG21 VAL 96 HG21 VAL 96 -9.359 11.881 5.597 757 HG22 VAL 96 HG22 VAL 96 -7.939 12.622 6.336 758 HG23 VAL 96 HG23 VAL 96 -8.725 11.249 7.117 759 H MET 97 HN MET 97 -7.909 9.518 2.902 760 HA MET 97 HA MET 97 -5.655 7.906 2.510 761 HB2 MET 97 HB2 MET 97 -7.959 7.088 2.275 762 HB3 MET 97 HB1 MET 97 -8.167 8.075 0.835 763 HG2 MET 97 HG2 MET 97 -5.932 6.119 0.898 764 HG3 MET 97 HG1 MET 97 -7.576 5.519 0.686 765 HE1 MET 97 HE1 MET 97 -9.231 6.692 -1.134 766 HE2 MET 97 HE2 MET 97 -8.521 5.160 -1.643 767 HE3 MET 97 HE3 MET 97 -8.606 6.511 -2.773 768 H ASP 98 HN ASP 98 -6.895 10.620 0.696 769 HA ASP 98 HA ASP 98 -5.434 10.206 -1.686 770 HB2 ASP 98 HB2 ASP 98 -6.843 12.519 -0.432 771 HB3 ASP 98 HB1 ASP 98 -5.736 12.842 -1.762 772 H ASN 99 HN ASN 99 -4.745 12.137 1.215 773 HA ASN 99 HA ASN 99 -2.337 13.266 0.380 774 HB2 ASN 99 HB2 ASN 99 -3.597 12.696 3.015 775 HB3 ASN 99 HB1 ASN 99 -1.877 13.076 3.006 776 HD21 ASN 99 HD21 ASN 99 -5.063 14.242 2.125 777 HD22 ASN 99 HD22 ASN 99 -4.653 15.920 2.117 778 H ILE 100 HN ILE 100 -3.050 10.071 1.591 779 HA ILE 100 HA ILE 100 -0.421 9.276 2.237 780 HB ILE 100 HB ILE 100 -2.684 7.515 1.285 781 HG12 ILE 100 HG12 ILE 100 -3.314 8.949 3.211 782 HG13 ILE 100 HG11 ILE 100 -3.269 7.239 3.627 783 HG21 ILE 100 HG21 ILE 100 -0.173 6.923 2.841 784 HG22 ILE 100 HG22 ILE 100 -0.602 6.333 1.236 785 HG23 ILE 100 HG23 ILE 100 -1.511 5.790 2.646 786 HD11 ILE 100 HD11 ILE 100 -0.722 8.495 4.115 787 HD12 ILE 100 HD12 ILE 100 -1.768 7.597 5.214 788 HD13 ILE 100 HD13 ILE 100 -2.026 9.324 4.965 789 H LYS 101 HN LYS 101 -2.364 8.731 -0.701 790 HA LYS 101 HA LYS 101 -0.450 7.354 -2.177 791 HB2 LYS 101 HB2 LYS 101 -2.804 7.535 -2.846 792 HB3 LYS 101 HB1 LYS 101 -2.581 9.245 -3.188 793 HG2 LYS 101 HG2 LYS 101 -1.370 8.846 -5.102 794 HG3 LYS 101 HG1 LYS 101 -0.867 7.239 -4.574 795 HD2 LYS 101 HD2 LYS 101 -2.435 6.682 -6.152 796 HD3 LYS 101 HD1 LYS 101 -3.449 6.748 -4.709 797 HE2 LYS 101 HE2 LYS 101 -4.733 8.092 -5.980 798 HE3 LYS 101 HE1 LYS 101 -3.563 9.325 -5.509 799 HZ1 LYS 101 HZ1 LYS 101 -3.683 9.522 -7.799 800 HZ2 LYS 101 HZ2 LYS 101 -3.765 7.852 -8.057 801 HZ3 LYS 101 HZ3 LYS 101 -2.304 8.564 -7.588 802 H MET 102 HN MET 102 -1.019 10.840 -1.908 803 HA MET 102 HA MET 102 0.966 11.579 -3.805 804 HB2 MET 102 HB2 MET 102 0.114 13.382 -1.565 805 HB3 MET 102 HB1 MET 102 0.510 13.793 -3.227 806 HG2 MET 102 HG2 MET 102 -1.661 12.185 -3.560 807 HG3 MET 102 HG1 MET 102 -2.034 12.989 -2.037 808 HE1 MET 102 HE1 MET 102 -4.120 14.601 -2.822 809 HE2 MET 102 HE2 MET 102 -3.429 16.212 -3.012 810 HE3 MET 102 HE3 MET 102 -2.849 15.150 -1.730 811 H THR 103 HN THR 103 0.930 11.310 -0.279 812 HA THR 103 HA THR 103 3.558 12.282 0.125 813 HB THR 103 HB THR 103 1.918 10.432 1.868 814 HG1 THR 103 HG1 THR 103 2.192 13.247 2.013 815 HG21 THR 103 HG21 THR 103 4.372 10.607 2.425 816 HG22 THR 103 HG22 THR 103 3.243 11.064 3.700 817 HG23 THR 103 HG23 THR 103 4.074 12.311 2.769 818 H LEU 104 HN LEU 104 2.313 9.221 -0.886 819 HA LEU 104 HA LEU 104 4.703 7.751 -0.199 820 HB2 LEU 104 HB2 LEU 104 2.041 7.099 -0.831 821 HB3 LEU 104 HB1 LEU 104 3.019 6.406 -2.111 822 HG LEU 104 HG LEU 104 3.973 5.916 0.644 823 HD11 LEU 104 HD11 LEU 104 2.266 4.690 1.419 824 HD12 LEU 104 HD12 LEU 104 1.880 4.037 -0.173 825 HD13 LEU 104 HD13 LEU 104 1.291 5.633 0.291 826 HD21 LEU 104 HD21 LEU 104 5.242 4.674 -0.737 827 HD22 LEU 104 HD22 LEU 104 4.025 4.658 -2.012 828 HD23 LEU 104 HD23 LEU 104 3.892 3.542 -0.653 829 H GLN 105 HN GLN 105 3.131 8.850 -3.197 830 HA GLN 105 HA GLN 105 4.982 7.845 -5.010 831 HB2 GLN 105 HB2 GLN 105 4.081 9.376 -6.605 832 HB3 GLN 105 HB1 GLN 105 2.762 8.872 -5.560 833 HG2 GLN 105 HG2 GLN 105 2.296 10.987 -5.145 834 HG3 GLN 105 HG1 GLN 105 3.886 11.189 -4.412 835 HE21 GLN 105 HE21 GLN 105 2.132 12.925 -6.139 836 HE22 GLN 105 HE22 GLN 105 3.174 13.452 -7.412 837 H GLN 106 HN GLN 106 5.176 10.624 -2.927 838 HA GLN 106 HA GLN 106 7.331 11.909 -4.277 839 HB2 GLN 106 HB2 GLN 106 6.152 12.165 -1.521 840 HB3 GLN 106 HB1 GLN 106 7.587 13.066 -1.991 841 HG2 GLN 106 HG2 GLN 106 6.223 13.936 -3.943 842 HG3 GLN 106 HG1 GLN 106 4.815 13.262 -3.122 843 HE21 GLN 106 HE21 GLN 106 7.060 15.828 -3.268 844 HE22 GLN 106 HE22 GLN 106 6.438 16.756 -1.950 845 H ILE 107 HN ILE 107 7.088 9.421 -1.839 846 HA ILE 107 HA ILE 107 9.859 9.522 -1.090 847 HB ILE 107 HB ILE 107 7.913 7.264 -0.622 848 HG12 ILE 107 HG12 ILE 107 8.532 9.473 1.330 849 HG13 ILE 107 HG11 ILE 107 7.206 9.609 0.180 850 HG21 ILE 107 HG21 ILE 107 9.900 6.359 0.006 851 HG22 ILE 107 HG22 ILE 107 9.519 7.217 1.498 852 HG23 ILE 107 HG23 ILE 107 10.638 7.927 0.335 853 HD11 ILE 107 HD11 ILE 107 6.417 8.841 2.336 854 HD12 ILE 107 HD12 ILE 107 7.523 7.469 2.271 855 HD13 ILE 107 HD13 ILE 107 6.198 7.590 1.114 856 H ILE 108 HN ILE 108 7.906 7.693 -3.361 857 HA ILE 108 HA ILE 108 9.908 5.758 -3.981 858 HB ILE 108 HB ILE 108 7.579 6.582 -5.713 859 HG12 ILE 108 HG12 ILE 108 7.680 4.462 -3.556 860 HG13 ILE 108 HG11 ILE 108 6.844 6.005 -3.421 861 HG21 ILE 108 HG21 ILE 108 7.887 3.959 -6.143 862 HG22 ILE 108 HG22 ILE 108 9.555 4.387 -5.760 863 HG23 ILE 108 HG23 ILE 108 8.720 5.193 -7.088 864 HD11 ILE 108 HD11 ILE 108 5.889 3.559 -4.471 865 HD12 ILE 108 HD12 ILE 108 5.943 4.735 -5.785 866 HD13 ILE 108 HD13 ILE 108 5.042 5.098 -4.313 867 H SER 109 HN SER 109 8.705 8.640 -5.696 868 HA SER 109 HA SER 109 10.487 8.512 -7.853 869 HB2 SER 109 HB2 SER 109 8.615 9.944 -8.090 870 HB3 SER 109 HB1 SER 109 8.982 10.803 -6.595 871 HG SER 109 HG SER 109 10.136 11.047 -9.127 872 H ARG 110 HN ARG 110 10.851 9.778 -4.617 873 HA ARG 110 HA ARG 110 13.163 11.335 -5.043 874 HB2 ARG 110 HB2 ARG 110 11.769 10.173 -2.697 875 HB3 ARG 110 HB1 ARG 110 13.458 10.606 -2.471 876 HG2 ARG 110 HG2 ARG 110 11.749 12.631 -3.771 877 HG3 ARG 110 HG1 ARG 110 11.435 12.304 -2.066 878 HD2 ARG 110 HD2 ARG 110 14.147 12.469 -2.085 879 HD3 ARG 110 HD1 ARG 110 13.725 13.621 -3.352 880 HE ARG 110 HE ARG 110 12.869 15.022 -1.752 881 HH11 ARG 110 HH11 ARG 110 13.356 11.861 -0.354 882 HH12 ARG 110 HH12 ARG 110 13.034 12.390 1.263 883 HH21 ARG 110 HH21 ARG 110 12.446 15.718 0.374 884 HH22 ARG 110 HH22 ARG 110 12.517 14.579 1.677 885 H TYR 111 HN TYR 111 12.670 7.916 -4.518 886 HA TYR 111 HA TYR 111 15.576 7.492 -4.443 887 HB2 TYR 111 HB2 TYR 111 13.475 5.400 -3.909 888 HB3 TYR 111 HB1 TYR 111 15.174 5.379 -3.448 889 HD1 TYR 111 HD1 TYR 111 15.333 8.200 -2.346 890 HD2 TYR 111 HD2 TYR 111 12.469 5.102 -1.794 891 HE1 TYR 111 HE1 TYR 111 14.747 9.141 -0.151 892 HE2 TYR 111 HE2 TYR 111 11.876 6.035 0.403 893 HH TYR 111 HH TYR 111 13.642 7.971 2.118 894 H LYS 112 HN LYS 112 13.426 7.834 -6.764 895 HA LYS 112 HA LYS 112 13.925 5.412 -8.275 896 HB2 LYS 112 HB2 LYS 112 12.223 7.829 -8.607 897 HB3 LYS 112 HB1 LYS 112 12.712 6.981 -10.067 898 HG2 LYS 112 HG2 LYS 112 11.872 4.893 -8.628 899 HG3 LYS 112 HG1 LYS 112 10.862 6.155 -7.920 900 HD2 LYS 112 HD2 LYS 112 9.505 5.578 -9.649 901 HD3 LYS 112 HD1 LYS 112 10.516 6.750 -10.497 902 HE2 LYS 112 HE2 LYS 112 12.015 4.628 -10.935 903 HE3 LYS 112 HE1 LYS 112 10.495 3.777 -10.665 904 HZ1 LYS 112 HZ1 LYS 112 11.074 5.820 -12.734 905 HZ2 LYS 112 HZ2 LYS 112 9.511 5.277 -12.384 906 HZ3 LYS 112 HZ3 LYS 112 10.669 4.194 -12.972 907 H ASP 113 HN ASP 113 15.062 8.713 -8.137 908 HA ASP 113 HA ASP 113 16.361 8.825 -10.629 909 HB2 ASP 113 HB2 ASP 113 15.874 10.728 -8.959 910 HB3 ASP 113 HB1 ASP 113 17.367 10.234 -8.165 911 H ALA 114 HN ALA 114 17.419 7.674 -7.466 912 HA ALA 114 HA ALA 114 20.099 7.119 -8.390 913 HB1 ALA 114 HB1 ALA 114 18.770 6.318 -5.804 914 HB2 ALA 114 HB2 ALA 114 19.655 7.821 -6.069 915 HB3 ALA 114 HB3 ALA 114 20.497 6.273 -6.159 916 H ASP 115 HN ASP 115 17.707 4.978 -6.839 917 HA ASP 115 HA ASP 115 18.793 2.732 -8.351 918 HB2 ASP 115 HB2 ASP 115 18.219 2.778 -5.794 919 HB3 ASP 115 HB1 ASP 115 16.576 2.474 -6.349 920 H1 ASP 453 HN ASP 453 -17.341 -14.109 -5.324 921 HA ASP 453 HA ASP 453 -16.225 -15.493 -3.157 922 HB2 ASP 453 HB2 ASP 453 -14.969 -16.388 -5.321 923 HB3 ASP 453 HB1 ASP 453 -14.039 -14.909 -5.102 924 H LEU 454 HN LEU 454 -15.775 -12.892 -5.502 925 HA LEU 454 HA LEU 454 -15.443 -10.657 -5.234 926 HB2 LEU 454 HB2 LEU 454 -17.032 -11.240 -3.179 927 HB3 LEU 454 HB1 LEU 454 -15.598 -10.801 -2.269 928 HG LEU 454 HG LEU 454 -16.549 -8.924 -4.380 929 HD11 LEU 454 HD11 LEU 454 -17.988 -7.851 -2.595 930 HD12 LEU 454 HD12 LEU 454 -17.889 -9.385 -1.730 931 HD13 LEU 454 HD13 LEU 454 -18.621 -9.323 -3.333 932 HD21 LEU 454 HD21 LEU 454 -14.636 -8.115 -3.410 933 HD22 LEU 454 HD22 LEU 454 -15.001 -8.824 -1.837 934 HD23 LEU 454 HD23 LEU 454 -15.858 -7.379 -2.373 935 H ASP 455 HN ASP 455 -13.338 -12.900 -4.544 936 HA ASP 455 HA ASP 455 -11.404 -11.330 -3.049 937 HB2 ASP 455 HB2 ASP 455 -11.844 -13.969 -3.054 938 HB3 ASP 455 HB1 ASP 455 -10.636 -13.902 -4.333 939 H GLU 456 HN GLU 456 -11.956 -12.482 -6.327 940 HA GLU 456 HA GLU 456 -9.442 -11.595 -7.350 941 HB2 GLU 456 HB2 GLU 456 -12.023 -12.276 -8.771 942 HB3 GLU 456 HB1 GLU 456 -10.484 -11.986 -9.571 943 HG2 GLU 456 HG2 GLU 456 -9.718 -13.891 -7.869 944 HG3 GLU 456 HG1 GLU 456 -11.417 -14.330 -8.037 945 H SER 457 HN SER 457 -12.591 -10.154 -6.924 946 HA SER 457 HA SER 457 -12.391 -7.997 -8.686 947 HB2 SER 457 HB2 SER 457 -14.377 -8.814 -7.187 948 HB3 SER 457 HB1 SER 457 -13.712 -7.680 -6.011 949 HG SER 457 HG SER 457 -13.830 -6.094 -7.765 950 H TRP 458 HN TRP 458 -10.940 -8.538 -5.566 951 HA TRP 458 HA TRP 458 -10.293 -5.925 -4.842 952 HB2 TRP 458 HB2 TRP 458 -9.533 -8.593 -4.038 953 HB3 TRP 458 HB1 TRP 458 -8.131 -7.529 -4.029 954 HD1 TRP 458 HD1 TRP 458 -7.898 -7.293 -1.433 955 HE1 TRP 458 HE1 TRP 458 -9.344 -6.195 0.391 956 HE3 TRP 458 HE3 TRP 458 -12.157 -6.491 -4.145 957 HZ2 TRP 458 HZ2 TRP 458 -11.945 -5.130 0.647 958 HZ3 TRP 458 HZ3 TRP 458 -14.079 -5.428 -3.036 959 HH2 TRP 458 HH2 TRP 458 -13.974 -4.762 -0.689 960 H ASP 459 HN ASP 459 -8.872 -8.041 -7.215 961 HA ASP 459 HA ASP 459 -6.474 -6.489 -7.539 962 HB2 ASP 459 HB2 ASP 459 -7.663 -8.897 -8.811 963 HB3 ASP 459 HB1 ASP 459 -6.523 -7.966 -9.778 964 H TYR 460 HN TYR 460 -9.664 -6.541 -8.932 965 HA TYR 460 HA TYR 460 -8.922 -4.837 -11.155 966 HB2 TYR 460 HB2 TYR 460 -10.693 -6.615 -11.318 967 HB3 TYR 460 HB1 TYR 460 -11.695 -5.633 -10.255 968 HD1 TYR 460 HD1 TYR 460 -9.640 -5.069 -13.335 969 HD2 TYR 460 HD2 TYR 460 -13.340 -4.443 -11.331 970 HE1 TYR 460 HE1 TYR 460 -10.479 -3.828 -15.285 971 HE2 TYR 460 HE2 TYR 460 -14.190 -3.201 -13.276 972 HH TYR 460 HH TYR 460 -13.704 -3.110 -15.759 973 H ILE 461 HN ILE 461 -10.686 -4.564 -8.103 974 HA ILE 461 HA ILE 461 -11.635 -1.953 -8.404 975 HB ILE 461 HB ILE 461 -12.379 -3.450 -6.605 976 HG12 ILE 461 HG12 ILE 461 -11.164 -0.859 -5.618 977 HG13 ILE 461 HG11 ILE 461 -12.743 -1.038 -6.376 978 HG21 ILE 461 HG21 ILE 461 -10.053 -4.321 -6.139 979 HG22 ILE 461 HG22 ILE 461 -11.057 -3.994 -4.727 980 HG23 ILE 461 HG23 ILE 461 -9.793 -2.855 -5.193 981 HD11 ILE 461 HD11 ILE 461 -13.063 -0.840 -4.031 982 HD12 ILE 461 HD12 ILE 461 -11.870 -2.096 -3.703 983 HD13 ILE 461 HD13 ILE 461 -13.399 -2.512 -4.478 984 H PHE 462 HN PHE 462 -8.473 -3.153 -7.536 985 HA PHE 462 HA PHE 462 -7.549 -0.464 -6.859 986 HB2 PHE 462 HB2 PHE 462 -6.428 -3.218 -6.500 987 HB3 PHE 462 HB1 PHE 462 -5.345 -1.830 -6.473 988 HD1 PHE 462 HD2 PHE 462 -6.396 0.189 -4.972 989 HD2 PHE 462 HD1 PHE 462 -7.090 -3.976 -4.450 990 HE1 PHE 462 HE2 PHE 462 -6.960 0.584 -2.610 991 HE2 PHE 462 HE1 PHE 462 -7.657 -3.590 -2.088 992 HZ PHE 462 HZ PHE 462 -7.592 -1.307 -1.164 993 H GLU 463 HN GLU 463 -7.313 -2.878 -9.361 994 HA GLU 463 HA GLU 463 -5.106 -1.617 -10.711 995 HB2 GLU 463 HB2 GLU 463 -5.470 -4.033 -10.895 996 HB3 GLU 463 HB1 GLU 463 -7.032 -3.751 -11.651 997 HG2 GLU 463 HG2 GLU 463 -4.705 -2.482 -12.945 998 HG3 GLU 463 HG1 GLU 463 -4.787 -4.241 -13.021 999 H THR 464 HN THR 464 -8.594 -1.505 -10.861 1000 HA THR 464 HA THR 464 -8.915 -0.321 -13.378 1001 HB THR 464 HB THR 464 -11.055 0.628 -12.307 1002 HG1 THR 464 HG1 THR 464 -11.320 0.345 -10.254 1003 HG21 THR 464 HG21 THR 464 -11.518 -1.273 -13.483 1004 HG22 THR 464 HG22 THR 464 -11.933 -1.789 -11.848 1005 HG23 THR 464 HG23 THR 464 -10.387 -2.257 -12.554 1006 H THR 465 HN THR 465 -9.884 1.986 -13.574 1007 HA THR 465 HA THR 465 -8.844 3.988 -11.816 1008 HB THR 465 HB THR 465 -7.634 3.925 -14.578 1009 HG1 THR 465 HG1 THR 465 -6.491 2.349 -13.767 1010 HG21 THR 465 HG21 THR 465 -6.761 5.412 -12.116 1011 HG22 THR 465 HG22 THR 465 -7.704 6.112 -13.431 1012 HG23 THR 465 HG23 THR 465 -6.069 5.524 -13.735 Start of MODEL 13 1 H2 PRO 1 HT1 PRO 1 6.771 17.750 9.905 2 H3 PRO 1 HT2 PRO 1 6.345 19.283 9.489 3 HA PRO 1 HA PRO 1 4.403 18.658 9.357 4 HB2 PRO 1 HB2 PRO 1 4.584 16.755 7.174 5 HB3 PRO 1 HB1 PRO 1 3.911 18.390 7.177 6 HG2 PRO 1 HG2 PRO 1 6.223 17.737 5.897 7 HG3 PRO 1 HG1 PRO 1 5.894 19.350 6.556 8 HD2 PRO 1 HD2 PRO 1 7.531 17.121 7.729 9 HD3 PRO 1 HD1 PRO 1 7.894 18.856 7.649 10 H SER 2 HN SER 2 3.290 17.393 10.694 11 HA SER 2 HA SER 2 4.294 14.997 11.762 12 HB2 SER 2 HB2 SER 2 1.424 15.962 11.774 13 HB3 SER 2 HB1 SER 2 2.137 14.786 12.877 14 HG SER 2 HG SER 2 2.101 16.804 13.862 15 H HIS 3 HN HIS 3 4.693 13.342 10.397 16 HA HIS 3 HA HIS 3 2.824 12.615 8.319 17 HB2 HIS 3 HB2 HIS 3 5.345 11.221 9.246 18 HB3 HIS 3 HB1 HIS 3 4.441 10.846 7.783 19 HD1 HIS 3 HD1 HIS 3 4.016 13.931 7.019 20 HD2 HIS 3 HD2 HIS 3 7.618 12.047 7.879 21 HE1 HIS 3 HE1 HIS 3 5.786 15.324 5.901 22 HE2 HIS 3 HE2 HIS 3 7.965 14.213 6.508 23 H SER 4 HN SER 4 0.952 12.023 9.435 24 HA SER 4 HA SER 4 0.886 9.291 10.295 25 HB2 SER 4 HB2 SER 4 -0.197 9.909 12.536 26 HB3 SER 4 HB1 SER 4 1.554 10.089 12.420 27 HG SER 4 HG SER 4 0.657 11.930 13.359 28 H GLY 5 HN GLY 5 -1.154 8.411 10.165 29 HA2 GLY 5 HA2 GLY 5 -3.503 10.073 10.021 30 HA3 GLY 5 HA1 GLY 5 -3.017 9.426 8.461 31 H ALA 6 HN ALA 6 -5.415 8.938 10.154 32 HA ALA 6 HA ALA 6 -5.320 6.385 11.315 33 HB1 ALA 6 HB1 ALA 6 -7.703 7.717 10.035 34 HB2 ALA 6 HB2 ALA 6 -7.134 8.023 11.676 35 HB3 ALA 6 HB3 ALA 6 -7.732 6.424 11.234 36 H ALA 7 HN ALA 7 -4.654 4.623 10.268 37 HA ALA 7 HA ALA 7 -5.801 4.077 7.608 38 HB1 ALA 7 HB1 ALA 7 -3.028 3.353 8.549 39 HB2 ALA 7 HB2 ALA 7 -3.427 4.644 7.415 40 HB3 ALA 7 HB3 ALA 7 -3.728 2.962 6.978 41 H ILE 8 HN ILE 8 -6.860 2.205 7.416 42 HA ILE 8 HA ILE 8 -6.775 0.340 9.674 43 HB ILE 8 HB ILE 8 -8.754 0.382 7.397 44 HG12 ILE 8 HG12 ILE 8 -10.206 1.303 9.428 45 HG13 ILE 8 HG11 ILE 8 -8.639 1.903 9.961 46 HG21 ILE 8 HG21 ILE 8 -8.268 -1.647 9.069 47 HG22 ILE 8 HG22 ILE 8 -9.876 -1.281 8.445 48 HG23 ILE 8 HG23 ILE 8 -9.409 -0.733 10.055 49 HD11 ILE 8 HD11 ILE 8 -10.403 2.933 7.950 50 HD12 ILE 8 HD12 ILE 8 -8.816 2.587 7.263 51 HD13 ILE 8 HD13 ILE 8 -8.960 3.658 8.657 52 H PHE 9 HN PHE 9 -5.159 -1.087 9.371 53 HA PHE 9 HA PHE 9 -4.897 -2.364 6.738 54 HB2 PHE 9 HB2 PHE 9 -2.982 -1.374 8.570 55 HB3 PHE 9 HB1 PHE 9 -2.811 -3.126 8.562 56 HD1 PHE 9 HD1 PHE 9 -3.105 -4.059 5.976 57 HD2 PHE 9 HD2 PHE 9 -1.515 -0.303 7.189 58 HE1 PHE 9 HE1 PHE 9 -1.829 -3.925 3.876 59 HE2 PHE 9 HE2 PHE 9 -0.237 -0.161 5.091 60 HZ PHE 9 HZ PHE 9 -0.394 -1.974 3.432 61 H GLU 10 HN GLU 10 -5.094 -4.546 6.484 62 HA GLU 10 HA GLU 10 -5.761 -6.678 6.907 63 HB2 GLU 10 HB2 GLU 10 -4.829 -6.129 9.729 64 HB3 GLU 10 HB1 GLU 10 -5.088 -7.709 9.004 65 HG2 GLU 10 HG2 GLU 10 -3.321 -6.587 7.264 66 HG3 GLU 10 HG1 GLU 10 -2.809 -5.892 8.801 67 H LYS 11 HN LYS 11 -7.637 -4.493 7.197 68 HA LYS 11 HA LYS 11 -9.803 -4.157 7.800 69 HB2 LYS 11 HB2 LYS 11 -9.672 -7.031 8.731 70 HB3 LYS 11 HB1 LYS 11 -11.140 -6.100 8.471 71 HG2 LYS 11 HG2 LYS 11 -9.155 -6.608 6.278 72 HG3 LYS 11 HG1 LYS 11 -10.470 -7.725 6.648 73 HD2 LYS 11 HD2 LYS 11 -11.032 -4.819 6.194 74 HD3 LYS 11 HD1 LYS 11 -10.813 -5.910 4.824 75 HE2 LYS 11 HE2 LYS 11 -12.541 -7.388 6.135 76 HE3 LYS 11 HE1 LYS 11 -12.968 -5.851 6.885 77 HZ1 LYS 11 HZ1 LYS 11 -13.649 -4.967 4.865 78 HZ2 LYS 11 HZ2 LYS 11 -14.215 -6.558 4.788 79 HZ3 LYS 11 HZ3 LYS 11 -12.814 -6.118 3.948 80 H VAL 12 HN VAL 12 -7.628 -3.609 9.670 81 HA VAL 12 HA VAL 12 -9.185 -3.688 12.171 82 HB VAL 12 HB VAL 12 -6.172 -3.836 11.996 83 HG11 VAL 12 HG11 VAL 12 -7.556 -4.604 14.468 84 HG12 VAL 12 HG12 VAL 12 -7.680 -2.894 14.052 85 HG13 VAL 12 HG13 VAL 12 -6.095 -3.645 14.234 86 HG21 VAL 12 HG21 VAL 12 -6.895 -5.928 11.241 87 HG22 VAL 12 HG22 VAL 12 -8.255 -5.964 12.364 88 HG23 VAL 12 HG23 VAL 12 -6.609 -6.166 12.965 89 H SER 13 HN SER 13 -9.377 -1.809 13.262 90 HA SER 13 HA SER 13 -8.651 0.614 11.930 91 HB2 SER 13 HB2 SER 13 -9.726 1.727 13.863 92 HB3 SER 13 HB1 SER 13 -10.747 0.467 13.171 93 HG SER 13 HG SER 13 -10.156 -0.891 14.860 94 H GLY 14 HN GLY 14 -6.783 1.653 12.073 95 HA2 GLY 14 HA2 GLY 14 -5.391 1.881 14.595 96 HA3 GLY 14 HA1 GLY 14 -4.539 0.920 13.396 97 H ILE 15 HN ILE 15 -3.274 3.093 14.303 98 HA ILE 15 HA ILE 15 -3.677 5.162 12.248 99 HB ILE 15 HB ILE 15 -2.034 5.464 14.755 100 HG12 ILE 15 HG12 ILE 15 -4.308 4.964 15.448 101 HG13 ILE 15 HG11 ILE 15 -3.984 6.676 15.701 102 HG21 ILE 15 HG21 ILE 15 -1.775 7.641 14.186 103 HG22 ILE 15 HG22 ILE 15 -3.355 7.740 13.408 104 HG23 ILE 15 HG23 ILE 15 -2.001 6.990 12.563 105 HD11 ILE 15 HD11 ILE 15 -6.234 6.013 14.705 106 HD12 ILE 15 HD12 ILE 15 -5.339 5.694 13.219 107 HD13 ILE 15 HD13 ILE 15 -5.340 7.313 13.918 108 H ILE 16 HN ILE 16 -2.061 5.694 10.860 109 HA ILE 16 HA ILE 16 0.312 3.974 10.915 110 HB ILE 16 HB ILE 16 -1.387 4.443 8.856 111 HG12 ILE 16 HG12 ILE 16 1.408 4.044 8.002 112 HG13 ILE 16 HG11 ILE 16 0.852 2.968 9.280 113 HG21 ILE 16 HG21 ILE 16 -0.480 6.849 8.843 114 HG22 ILE 16 HG22 ILE 16 -0.601 5.990 7.308 115 HG23 ILE 16 HG23 ILE 16 0.962 6.145 8.111 116 HD11 ILE 16 HD11 ILE 16 -1.217 2.811 7.551 117 HD12 ILE 16 HD12 ILE 16 0.159 1.707 7.568 118 HD13 ILE 16 HD13 ILE 16 0.131 3.065 6.443 119 H ALA 17 HN ALA 17 2.389 4.796 10.808 120 HA ALA 17 HA ALA 17 2.724 7.703 10.854 121 HB1 ALA 17 HB1 ALA 17 4.332 6.261 12.862 122 HB2 ALA 17 HB2 ALA 17 2.609 6.408 13.211 123 HB3 ALA 17 HB3 ALA 17 3.579 7.855 12.937 124 H ILE 18 HN ILE 18 4.268 8.250 9.474 125 HA ILE 18 HA ILE 18 6.167 6.230 8.568 126 HB ILE 18 HB ILE 18 5.815 9.031 7.505 127 HG12 ILE 18 HG12 ILE 18 4.521 6.458 6.571 128 HG13 ILE 18 HG11 ILE 18 3.694 7.803 7.351 129 HG21 ILE 18 HG21 ILE 18 6.777 7.914 5.437 130 HG22 ILE 18 HG22 ILE 18 7.204 6.567 6.493 131 HG23 ILE 18 HG23 ILE 18 7.882 8.168 6.788 132 HD11 ILE 18 HD11 ILE 18 3.658 9.043 5.470 133 HD12 ILE 18 HD12 ILE 18 3.770 7.457 4.708 134 HD13 ILE 18 HD13 ILE 18 5.219 8.442 4.910 135 H ASN 19 HN ASN 19 8.307 6.277 8.965 136 HA ASN 19 HA ASN 19 9.317 8.497 10.615 137 HB2 ASN 19 HB2 ASN 19 9.827 5.558 10.627 138 HB3 ASN 19 HB1 ASN 19 11.148 6.627 11.090 139 HD21 ASN 19 HD21 ASN 19 7.660 6.316 11.686 140 HD22 ASN 19 HD22 ASN 19 7.757 6.582 13.390 141 H GLU 20 HN GLU 20 10.710 9.821 9.672 142 HA GLU 20 HA GLU 20 12.125 8.909 7.269 143 HB2 GLU 20 HB2 GLU 20 11.203 11.570 8.257 144 HB3 GLU 20 HB1 GLU 20 12.612 11.512 7.207 145 HG2 GLU 20 HG2 GLU 20 10.861 9.919 5.865 146 HG3 GLU 20 HG1 GLU 20 9.784 11.111 6.591 147 H ASP 21 HN ASP 21 12.955 8.230 9.996 148 HA ASP 21 HA ASP 21 15.291 9.837 10.545 149 HB2 ASP 21 HB2 ASP 21 13.931 7.520 11.830 150 HB3 ASP 21 HB1 ASP 21 15.647 7.740 12.162 151 H VAL 22 HN VAL 22 14.535 6.816 8.965 152 HA VAL 22 HA VAL 22 17.399 6.341 8.490 153 HB VAL 22 HB VAL 22 16.107 4.494 9.546 154 HG11 VAL 22 HG11 VAL 22 14.826 3.721 7.020 155 HG12 VAL 22 HG12 VAL 22 14.120 5.126 7.820 156 HG13 VAL 22 HG13 VAL 22 14.242 3.591 8.680 157 HG21 VAL 22 HG21 VAL 22 16.758 3.156 7.081 158 HG22 VAL 22 HG22 VAL 22 17.581 3.106 8.638 159 HG23 VAL 22 HG23 VAL 22 17.972 4.372 7.477 160 H SER 23 HN SER 23 18.152 5.941 6.392 161 HA SER 23 HA SER 23 17.245 7.540 4.365 162 HB2 SER 23 HB2 SER 23 19.008 5.148 4.465 163 HB3 SER 23 HB1 SER 23 18.442 5.663 2.876 164 HG SER 23 HG SER 23 20.263 6.832 4.555 165 HA PRO 24 HA PRO 24 14.950 3.857 2.162 166 HB2 PRO 24 HB2 PRO 24 14.428 1.703 3.810 167 HB3 PRO 24 HB1 PRO 24 15.755 1.783 2.648 168 HG2 PRO 24 HG2 PRO 24 15.780 2.294 5.594 169 HG3 PRO 24 HG1 PRO 24 16.970 1.439 4.594 170 HD2 PRO 24 HD2 PRO 24 17.398 3.951 5.419 171 HD3 PRO 24 HD1 PRO 24 17.910 3.411 3.807 172 H ALA 25 HN ALA 25 14.478 4.876 5.433 173 HA ALA 25 HA ALA 25 12.645 5.594 6.573 174 HB1 ALA 25 HB1 ALA 25 12.226 6.439 4.035 175 HB2 ALA 25 HB2 ALA 25 11.155 6.794 5.390 176 HB3 ALA 25 HB3 ALA 25 10.785 5.457 4.301 177 H GLU 26 HN GLU 26 10.283 4.973 7.085 178 HA GLU 26 HA GLU 26 9.484 2.306 6.375 179 HB2 GLU 26 HB2 GLU 26 10.706 2.890 9.054 180 HB3 GLU 26 HB1 GLU 26 9.484 1.637 8.885 181 HG2 GLU 26 HG2 GLU 26 10.957 0.666 7.057 182 HG3 GLU 26 HG1 GLU 26 12.209 1.761 7.640 183 H LEU 27 HN LEU 27 7.374 1.814 7.000 184 HA LEU 27 HA LEU 27 5.865 4.087 8.114 185 HB2 LEU 27 HB2 LEU 27 5.252 3.668 5.826 186 HB3 LEU 27 HB1 LEU 27 5.050 1.955 6.142 187 HG LEU 27 HG LEU 27 3.345 3.916 7.618 188 HD11 LEU 27 HD11 LEU 27 3.459 4.142 4.940 189 HD12 LEU 27 HD12 LEU 27 1.993 4.409 5.884 190 HD13 LEU 27 HD13 LEU 27 2.261 2.856 5.092 191 HD21 LEU 27 HD21 LEU 27 2.453 2.022 8.355 192 HD22 LEU 27 HD22 LEU 27 3.523 1.081 7.318 193 HD23 LEU 27 HD23 LEU 27 1.963 1.630 6.707 194 H THR 28 HN THR 28 5.135 3.771 10.105 195 HA THR 28 HA THR 28 4.816 1.036 11.097 196 HB THR 28 HB THR 28 4.563 3.498 12.795 197 HG1 THR 28 HG1 THR 28 6.631 3.865 12.715 198 HG21 THR 28 HG21 THR 28 4.484 2.018 14.429 199 HG22 THR 28 HG22 THR 28 6.121 1.511 14.010 200 HG23 THR 28 HG23 THR 28 4.733 0.693 13.292 201 H TRP 29 HN TRP 29 2.922 0.301 12.057 202 HA TRP 29 HA TRP 29 0.560 2.020 11.903 203 HB2 TRP 29 HB2 TRP 29 0.471 0.869 9.802 204 HB3 TRP 29 HB1 TRP 29 0.841 -0.674 10.563 205 HD1 TRP 29 HD1 TRP 29 -2.016 1.954 10.593 206 HE1 TRP 29 HE1 TRP 29 -4.238 0.700 10.932 207 HE3 TRP 29 HE3 TRP 29 -0.192 -2.785 11.184 208 HZ2 TRP 29 HZ2 TRP 29 -5.102 -1.949 11.390 209 HZ3 TRP 29 HZ3 TRP 29 -1.782 -4.622 11.569 210 HH2 TRP 29 HH2 TRP 29 -4.187 -4.211 11.670 211 H ARG 30 HN ARG 30 -0.092 2.057 13.954 212 HA ARG 30 HA ARG 30 -0.080 -0.458 15.483 213 HB2 ARG 30 HB2 ARG 30 -0.086 0.917 17.499 214 HB3 ARG 30 HB1 ARG 30 1.270 1.344 16.465 215 HG2 ARG 30 HG2 ARG 30 0.097 3.310 15.683 216 HG3 ARG 30 HG1 ARG 30 -1.325 2.864 16.629 217 HD2 ARG 30 HD2 ARG 30 1.400 3.481 17.767 218 HD3 ARG 30 HD1 ARG 30 0.043 4.603 17.720 219 HE ARG 30 HE ARG 30 -0.971 3.433 19.436 220 HH11 ARG 30 HH11 ARG 30 1.878 1.726 18.348 221 HH12 ARG 30 HH12 ARG 30 1.898 0.649 19.702 222 HH21 ARG 30 HH21 ARG 30 -0.940 2.015 21.214 223 HH22 ARG 30 HH22 ARG 30 0.301 0.811 21.327 224 H SER 31 HN SER 31 -1.938 -1.269 16.291 225 HA SER 31 HA SER 31 -4.403 -0.518 15.211 226 HB2 SER 31 HB2 SER 31 -5.208 -1.911 17.362 227 HB3 SER 31 HB1 SER 31 -4.512 -2.683 15.937 228 HG SER 31 HG SER 31 -3.326 -2.153 18.433 229 H THR 32 HN THR 32 -6.143 0.631 15.992 230 HA THR 32 HA THR 32 -5.634 2.887 17.560 231 HB THR 32 HB THR 32 -8.247 2.892 17.727 232 HG1 THR 32 HG1 THR 32 -9.160 1.203 16.926 233 HG21 THR 32 HG21 THR 32 -8.262 3.220 15.079 234 HG22 THR 32 HG22 THR 32 -6.526 3.330 15.376 235 HG23 THR 32 HG23 THR 32 -7.633 4.427 16.201 236 H ASP 33 HN ASP 33 -7.761 0.154 18.429 237 HA ASP 33 HA ASP 33 -6.966 0.561 21.237 238 HB2 ASP 33 HB2 ASP 33 -9.413 1.177 20.403 239 HB3 ASP 33 HB1 ASP 33 -9.658 -0.556 20.601 240 H GLY 34 HN GLY 34 -5.836 -1.251 19.254 241 HA2 GLY 34 HA2 GLY 34 -6.573 -3.826 20.507 242 HA3 GLY 34 HA1 GLY 34 -6.085 -3.684 18.825 243 H ASP 35 HN ASP 35 -4.493 -5.322 19.385 244 HA ASP 35 HA ASP 35 -2.074 -4.086 20.507 245 HB2 ASP 35 HB2 ASP 35 -3.332 -6.702 21.248 246 HB3 ASP 35 HB1 ASP 35 -1.581 -6.533 21.322 247 H LYS 36 HN LYS 36 -2.960 -4.457 17.758 248 HA LYS 36 HA LYS 36 -0.868 -6.310 16.820 249 HB2 LYS 36 HB2 LYS 36 -3.525 -6.515 16.272 250 HB3 LYS 36 HB1 LYS 36 -2.984 -5.541 14.912 251 HG2 LYS 36 HG2 LYS 36 -2.752 -7.661 14.077 252 HG3 LYS 36 HG1 LYS 36 -1.131 -7.361 14.706 253 HD2 LYS 36 HD2 LYS 36 -1.338 -8.908 16.337 254 HD3 LYS 36 HD1 LYS 36 -3.037 -8.528 16.623 255 HE2 LYS 36 HE2 LYS 36 -3.155 -9.638 14.149 256 HE3 LYS 36 HE1 LYS 36 -1.814 -10.536 14.858 257 HZ1 LYS 36 HZ1 LYS 36 -3.402 -10.839 16.831 258 HZ2 LYS 36 HZ2 LYS 36 -3.662 -11.770 15.444 259 HZ3 LYS 36 HZ3 LYS 36 -4.624 -10.411 15.742 260 H VAL 37 HN VAL 37 0.825 -5.319 15.965 261 HA VAL 37 HA VAL 37 0.397 -2.834 14.451 262 HB VAL 37 HB VAL 37 1.299 -2.263 16.674 263 HG11 VAL 37 HG11 VAL 37 3.958 -3.383 16.118 264 HG12 VAL 37 HG12 VAL 37 2.713 -4.568 16.513 265 HG13 VAL 37 HG13 VAL 37 3.071 -3.257 17.637 266 HG21 VAL 37 HG21 VAL 37 1.933 -0.649 15.183 267 HG22 VAL 37 HG22 VAL 37 2.843 -1.776 14.178 268 HG23 VAL 37 HG23 VAL 37 3.519 -1.215 15.708 269 H HIS 38 HN HIS 38 1.308 -2.828 12.495 270 HA HIS 38 HA HIS 38 3.391 -4.834 11.926 271 HB2 HIS 38 HB2 HIS 38 1.240 -5.418 10.869 272 HB3 HIS 38 HB1 HIS 38 1.223 -3.857 10.054 273 HD1 HIS 38 HD1 HIS 38 3.336 -7.009 10.179 274 HD2 HIS 38 HD2 HIS 38 2.446 -3.854 7.626 275 HE1 HIS 38 HE1 HIS 38 4.467 -7.565 8.003 276 HE2 HIS 38 HE2 HIS 38 3.843 -5.684 6.448 277 H THR 39 HN THR 39 5.011 -4.260 10.426 278 HA THR 39 HA THR 39 5.195 -1.379 9.841 279 HB THR 39 HB THR 39 7.585 -3.091 10.499 280 HG1 THR 39 HG1 THR 39 6.176 -3.043 12.304 281 HG21 THR 39 HG21 THR 39 7.607 -0.681 9.392 282 HG22 THR 39 HG22 THR 39 8.817 -1.199 10.566 283 HG23 THR 39 HG23 THR 39 7.461 -0.198 11.082 284 H VAL 40 HN VAL 40 5.555 -0.894 7.777 285 HA VAL 40 HA VAL 40 6.771 -2.924 6.031 286 HB VAL 40 HB VAL 40 4.350 -2.996 5.667 287 HG11 VAL 40 HG11 VAL 40 4.031 -0.570 6.360 288 HG12 VAL 40 HG12 VAL 40 3.057 -1.148 5.009 289 HG13 VAL 40 HG13 VAL 40 4.481 -0.153 4.707 290 HG21 VAL 40 HG21 VAL 40 4.373 -2.399 3.202 291 HG22 VAL 40 HG22 VAL 40 5.622 -3.517 3.750 292 HG23 VAL 40 HG23 VAL 40 6.020 -1.824 3.457 293 H VAL 41 HN VAL 41 8.590 -2.093 5.255 294 HA VAL 41 HA VAL 41 9.320 0.598 5.330 295 HB VAL 41 HB VAL 41 10.951 -1.230 5.132 296 HG11 VAL 41 HG11 VAL 41 10.596 -1.451 2.208 297 HG12 VAL 41 HG12 VAL 41 9.395 -2.264 3.212 298 HG13 VAL 41 HG13 VAL 41 11.105 -2.660 3.387 299 HG21 VAL 41 HG21 VAL 41 11.146 1.268 4.088 300 HG22 VAL 41 HG22 VAL 41 11.577 0.280 2.693 301 HG23 VAL 41 HG23 VAL 41 12.483 0.124 4.198 302 H LEU 42 HN LEU 42 8.945 2.293 4.045 303 HA LEU 42 HA LEU 42 7.068 2.080 1.909 304 HB2 LEU 42 HB2 LEU 42 8.686 4.334 3.052 305 HB3 LEU 42 HB1 LEU 42 7.730 4.556 1.599 306 HG LEU 42 HG LEU 42 6.706 3.821 4.340 307 HD11 LEU 42 HD11 LEU 42 6.865 6.304 2.752 308 HD12 LEU 42 HD12 LEU 42 6.877 6.068 4.499 309 HD13 LEU 42 HD13 LEU 42 5.354 6.014 3.613 310 HD21 LEU 42 HD21 LEU 42 4.458 4.192 3.091 311 HD22 LEU 42 HD22 LEU 42 5.269 2.630 2.978 312 HD23 LEU 42 HD23 LEU 42 5.396 3.788 1.654 313 H SER 43 HN SER 43 10.513 2.012 2.107 314 HA SER 43 HA SER 43 11.235 2.943 -0.420 315 HB2 SER 43 HB2 SER 43 12.627 2.034 1.697 316 HB3 SER 43 HB1 SER 43 12.743 0.621 0.648 317 HG SER 43 HG SER 43 13.717 3.223 0.252 318 H THR 44 HN THR 44 10.203 -0.277 0.620 319 HA THR 44 HA THR 44 10.721 -1.701 -1.705 320 HB THR 44 HB THR 44 8.753 -3.144 -0.963 321 HG1 THR 44 HG1 THR 44 8.791 -1.456 1.305 322 HG21 THR 44 HG21 THR 44 10.634 -4.062 -0.114 323 HG22 THR 44 HG22 THR 44 9.892 -3.534 1.397 324 HG23 THR 44 HG23 THR 44 11.160 -2.561 0.649 325 H ILE 45 HN ILE 45 8.294 0.681 -1.085 326 HA ILE 45 HA ILE 45 6.615 -0.093 -3.304 327 HB ILE 45 HB ILE 45 6.573 2.373 -1.557 328 HG12 ILE 45 HG12 ILE 45 4.454 1.253 -0.709 329 HG13 ILE 45 HG11 ILE 45 4.978 -0.191 -1.569 330 HG21 ILE 45 HG21 ILE 45 5.623 2.820 -3.780 331 HG22 ILE 45 HG22 ILE 45 4.396 2.860 -2.515 332 HG23 ILE 45 HG23 ILE 45 4.525 1.455 -3.573 333 HD11 ILE 45 HD11 ILE 45 6.930 1.037 0.271 334 HD12 ILE 45 HD12 ILE 45 6.594 -0.660 -0.067 335 HD13 ILE 45 HD13 ILE 45 5.525 0.255 0.995 336 H ASP 46 HN ASP 46 6.769 0.587 -5.344 337 HA ASP 46 HA ASP 46 8.765 2.658 -5.958 338 HB2 ASP 46 HB2 ASP 46 9.167 0.405 -6.929 339 HB3 ASP 46 HB1 ASP 46 7.634 0.529 -7.787 340 H LYS 47 HN LYS 47 5.452 1.640 -6.487 341 HA LYS 47 HA LYS 47 4.885 4.290 -7.622 342 HB2 LYS 47 HB2 LYS 47 4.464 3.218 -9.562 343 HB3 LYS 47 HB1 LYS 47 4.395 1.645 -8.785 344 HG2 LYS 47 HG2 LYS 47 2.103 1.964 -8.192 345 HG3 LYS 47 HG1 LYS 47 2.145 3.643 -8.734 346 HD2 LYS 47 HD2 LYS 47 1.117 2.521 -10.502 347 HD3 LYS 47 HD1 LYS 47 2.796 2.664 -11.025 348 HE2 LYS 47 HE2 LYS 47 3.094 0.341 -9.945 349 HE3 LYS 47 HE1 LYS 47 1.334 0.253 -10.008 350 HZ1 LYS 47 HZ1 LYS 47 3.267 0.326 -12.222 351 HZ2 LYS 47 HZ2 LYS 47 1.699 0.910 -12.471 352 HZ3 LYS 47 HZ3 LYS 47 1.937 -0.695 -11.994 353 H LEU 48 HN LEU 48 2.744 5.086 -7.222 354 HA LEU 48 HA LEU 48 1.534 3.899 -4.814 355 HB2 LEU 48 HB2 LEU 48 1.279 6.743 -5.789 356 HB3 LEU 48 HB1 LEU 48 0.727 6.102 -4.253 357 HG LEU 48 HG LEU 48 3.631 5.903 -4.872 358 HD11 LEU 48 HD11 LEU 48 2.507 8.438 -3.740 359 HD12 LEU 48 HD12 LEU 48 2.760 8.243 -5.475 360 HD13 LEU 48 HD13 LEU 48 4.125 8.119 -4.365 361 HD21 LEU 48 HD21 LEU 48 3.856 5.697 -2.629 362 HD22 LEU 48 HD22 LEU 48 2.176 5.173 -2.750 363 HD23 LEU 48 HD23 LEU 48 2.551 6.831 -2.282 364 H GLN 49 HN GLN 49 -0.762 3.879 -4.628 365 HA GLN 49 HA GLN 49 -2.339 4.459 -6.996 366 HB2 GLN 49 HB2 GLN 49 -1.322 1.957 -6.839 367 HB3 GLN 49 HB1 GLN 49 -2.813 1.740 -5.933 368 HG2 GLN 49 HG2 GLN 49 -3.763 1.376 -7.908 369 HG3 GLN 49 HG1 GLN 49 -3.662 3.121 -8.136 370 HE21 GLN 49 HE21 GLN 49 -2.945 3.616 -10.068 371 HE22 GLN 49 HE22 GLN 49 -1.721 2.779 -10.954 372 H ALA 50 HN ALA 50 -4.626 4.413 -6.606 373 HA ALA 50 HA ALA 50 -5.561 4.005 -3.895 374 HB1 ALA 50 HB1 ALA 50 -6.178 6.703 -4.976 375 HB2 ALA 50 HB2 ALA 50 -4.583 6.435 -4.272 376 HB3 ALA 50 HB3 ALA 50 -6.032 6.158 -3.305 377 H THR 51 HN THR 51 -7.953 4.468 -3.741 378 HA THR 51 HA THR 51 -9.241 3.357 -6.088 379 HB THR 51 HB THR 51 -11.245 3.241 -4.622 380 HG1 THR 51 HG1 THR 51 -10.860 5.001 -3.285 381 HG21 THR 51 HG21 THR 51 -10.568 1.463 -3.325 382 HG22 THR 51 HG22 THR 51 -8.982 2.165 -3.005 383 HG23 THR 51 HG23 THR 51 -9.344 1.494 -4.595 384 HA PRO 52 HA PRO 52 -10.914 7.118 -7.663 385 HB2 PRO 52 HB2 PRO 52 -13.296 6.280 -8.663 386 HB3 PRO 52 HB1 PRO 52 -11.747 5.901 -9.425 387 HG2 PRO 52 HG2 PRO 52 -13.437 4.208 -7.624 388 HG3 PRO 52 HG1 PRO 52 -12.583 3.754 -9.111 389 HD2 PRO 52 HD2 PRO 52 -11.603 3.206 -6.650 390 HD3 PRO 52 HD1 PRO 52 -10.552 3.561 -8.036 391 H ALA 53 HN ALA 53 -12.483 8.742 -7.304 392 HA ALA 53 HA ALA 53 -13.502 8.859 -4.672 393 HB1 ALA 53 HB1 ALA 53 -14.666 10.696 -6.660 394 HB2 ALA 53 HB2 ALA 53 -12.908 10.716 -6.530 395 HB3 ALA 53 HB3 ALA 53 -13.901 11.036 -5.108 396 H SER 54 HN SER 54 -14.895 7.895 -7.722 397 HA SER 54 HA SER 54 -17.619 8.056 -6.981 398 HB2 SER 54 HB2 SER 54 -17.806 6.242 -8.863 399 HB3 SER 54 HB1 SER 54 -17.318 7.885 -9.280 400 HG SER 54 HG SER 54 -15.990 6.147 -10.167 401 H SER 55 HN SER 55 -15.143 5.649 -6.475 402 HA SER 55 HA SER 55 -16.741 3.437 -5.862 403 HB2 SER 55 HB2 SER 55 -13.956 4.273 -5.164 404 HB3 SER 55 HB1 SER 55 -14.664 2.899 -4.315 405 HG SER 55 HG SER 55 -15.164 2.090 -6.502 406 H GLU 56 HN GLU 56 -17.889 2.836 -4.121 407 HA GLU 56 HA GLU 56 -18.662 4.729 -2.192 408 HB2 GLU 56 HB2 GLU 56 -19.081 1.794 -2.555 409 HB3 GLU 56 HB1 GLU 56 -19.503 2.520 -1.010 410 HG2 GLU 56 HG2 GLU 56 -21.296 3.585 -1.845 411 HG3 GLU 56 HG1 GLU 56 -20.511 3.926 -3.386 412 H LYS 57 HN LYS 57 -16.166 2.284 -2.210 413 HA LYS 57 HA LYS 57 -15.536 2.862 0.597 414 HB2 LYS 57 HB2 LYS 57 -13.932 0.893 0.284 415 HB3 LYS 57 HB1 LYS 57 -15.654 0.536 0.289 416 HG2 LYS 57 HG2 LYS 57 -14.437 1.071 -2.345 417 HG3 LYS 57 HG1 LYS 57 -13.955 -0.423 -1.538 418 HD2 LYS 57 HD2 LYS 57 -16.848 0.212 -1.577 419 HD3 LYS 57 HD1 LYS 57 -16.110 -0.253 -3.112 420 HE2 LYS 57 HE2 LYS 57 -15.116 -2.225 -1.794 421 HE3 LYS 57 HE1 LYS 57 -16.317 -1.827 -0.566 422 HZ1 LYS 57 HZ1 LYS 57 -16.880 -2.526 -3.398 423 HZ2 LYS 57 HZ2 LYS 57 -18.047 -2.098 -2.251 424 HZ3 LYS 57 HZ3 LYS 57 -17.150 -3.518 -2.053 425 H MET 58 HN MET 58 -14.043 4.343 0.986 426 HA MET 58 HA MET 58 -12.132 5.056 -1.104 427 HB2 MET 58 HB2 MET 58 -13.382 6.867 -0.026 428 HB3 MET 58 HB1 MET 58 -12.750 6.383 1.542 429 HG2 MET 58 HG2 MET 58 -10.453 6.845 0.644 430 HG3 MET 58 HG1 MET 58 -11.230 7.550 -0.772 431 HE1 MET 58 HE1 MET 58 -11.828 9.175 3.502 432 HE2 MET 58 HE2 MET 58 -11.128 7.605 3.109 433 HE3 MET 58 HE3 MET 58 -12.847 7.897 2.842 434 H MET 59 HN MET 59 -10.256 4.016 -1.128 435 HA MET 59 HA MET 59 -8.714 3.778 1.317 436 HB2 MET 59 HB2 MET 59 -9.192 1.310 -0.350 437 HB3 MET 59 HB1 MET 59 -8.357 1.421 1.193 438 HG2 MET 59 HG2 MET 59 -10.547 2.146 2.198 439 HG3 MET 59 HG1 MET 59 -11.299 1.709 0.664 440 HE1 MET 59 HE1 MET 59 -11.667 -1.610 0.285 441 HE2 MET 59 HE2 MET 59 -9.911 -1.729 0.165 442 HE3 MET 59 HE3 MET 59 -10.747 -0.325 -0.499 443 H LEU 60 HN LEU 60 -6.474 3.225 0.928 444 HA LEU 60 HA LEU 60 -5.632 3.686 -1.858 445 HB2 LEU 60 HB2 LEU 60 -5.320 5.561 -0.030 446 HB3 LEU 60 HB1 LEU 60 -3.937 4.585 0.428 447 HG LEU 60 HG LEU 60 -4.162 5.249 -2.447 448 HD11 LEU 60 HD11 LEU 60 -2.932 7.374 -0.825 449 HD12 LEU 60 HD12 LEU 60 -4.694 7.307 -0.789 450 HD13 LEU 60 HD13 LEU 60 -3.848 7.475 -2.328 451 HD21 LEU 60 HD21 LEU 60 -1.754 5.643 -0.742 452 HD22 LEU 60 HD22 LEU 60 -1.878 5.078 -2.408 453 HD23 LEU 60 HD23 LEU 60 -2.300 4.000 -1.077 454 H ARG 61 HN ARG 61 -3.593 2.746 -2.463 455 HA ARG 61 HA ARG 61 -2.473 0.760 -0.647 456 HB2 ARG 61 HB2 ARG 61 -2.688 -1.069 -2.201 457 HB3 ARG 61 HB1 ARG 61 -4.281 -0.389 -1.903 458 HG2 ARG 61 HG2 ARG 61 -4.544 0.275 -4.035 459 HG3 ARG 61 HG1 ARG 61 -2.848 0.723 -4.219 460 HD2 ARG 61 HD2 ARG 61 -2.369 -1.786 -4.213 461 HD3 ARG 61 HD1 ARG 61 -4.103 -1.996 -4.449 462 HE ARG 61 HE ARG 61 -2.880 -0.203 -6.336 463 HH11 ARG 61 HH11 ARG 61 -3.641 -3.535 -5.628 464 HH12 ARG 61 HH12 ARG 61 -3.605 -4.025 -7.288 465 HH21 ARG 61 HH21 ARG 61 -2.833 -0.846 -8.519 466 HH22 ARG 61 HH22 ARG 61 -3.146 -2.500 -8.930 467 H LEU 62 HN LEU 62 -0.384 0.025 -1.235 468 HA LEU 62 HA LEU 62 0.942 1.725 -3.243 469 HB2 LEU 62 HB2 LEU 62 2.270 0.469 -0.849 470 HB3 LEU 62 HB1 LEU 62 2.927 1.691 -1.919 471 HG LEU 62 HG LEU 62 2.391 2.877 0.012 472 HD11 LEU 62 HD11 LEU 62 1.090 4.502 -0.829 473 HD12 LEU 62 HD12 LEU 62 -0.242 3.401 -1.179 474 HD13 LEU 62 HD13 LEU 62 1.125 3.513 -2.288 475 HD21 LEU 62 HD21 LEU 62 -0.361 1.702 0.167 476 HD22 LEU 62 HD22 LEU 62 0.567 2.528 1.419 477 HD23 LEU 62 HD23 LEU 62 1.024 0.902 0.911 478 H ILE 63 HN ILE 63 2.365 0.798 -4.675 479 HA ILE 63 HA ILE 63 2.262 -2.134 -4.816 480 HB ILE 63 HB ILE 63 3.154 -0.269 -7.009 481 HG12 ILE 63 HG12 ILE 63 0.855 0.303 -6.372 482 HG13 ILE 63 HG11 ILE 63 0.891 -0.484 -7.946 483 HG21 ILE 63 HG21 ILE 63 2.638 -3.176 -6.755 484 HG22 ILE 63 HG22 ILE 63 3.854 -2.317 -7.701 485 HG23 ILE 63 HG23 ILE 63 2.188 -2.397 -8.272 486 HD11 ILE 63 HD11 ILE 63 -0.723 -1.143 -5.814 487 HD12 ILE 63 HD12 ILE 63 0.533 -2.381 -5.790 488 HD13 ILE 63 HD13 ILE 63 -0.426 -2.126 -7.248 489 H GLY 64 HN GLY 64 3.992 -3.233 -4.191 490 HA2 GLY 64 HA2 GLY 64 6.424 -2.070 -3.427 491 HA3 GLY 64 HA1 GLY 64 6.167 -3.784 -3.712 492 H LYS 65 HN LYS 65 8.509 -3.386 -4.404 493 HA LYS 65 HA LYS 65 8.806 -2.225 -7.044 494 HB2 LYS 65 HB2 LYS 65 10.641 -3.277 -4.951 495 HB3 LYS 65 HB1 LYS 65 11.206 -3.315 -6.616 496 HG2 LYS 65 HG2 LYS 65 11.274 -1.031 -6.793 497 HG3 LYS 65 HG1 LYS 65 10.051 -0.789 -5.544 498 HD2 LYS 65 HD2 LYS 65 11.611 -1.324 -3.814 499 HD3 LYS 65 HD1 LYS 65 12.819 -1.845 -4.991 500 HE2 LYS 65 HE2 LYS 65 12.953 0.448 -5.852 501 HE3 LYS 65 HE1 LYS 65 11.763 0.961 -4.657 502 HZ1 LYS 65 HZ1 LYS 65 14.348 -0.291 -3.924 503 HZ2 LYS 65 HZ2 LYS 65 13.263 0.514 -2.907 504 HZ3 LYS 65 HZ3 LYS 65 14.141 1.383 -4.062 505 H VAL 66 HN VAL 66 10.469 -3.718 -8.430 506 HA VAL 66 HA VAL 66 9.177 -6.357 -8.675 507 HB VAL 66 HB VAL 66 9.666 -6.146 -11.160 508 HG11 VAL 66 HG11 VAL 66 7.639 -4.704 -11.547 509 HG12 VAL 66 HG12 VAL 66 7.618 -4.403 -9.810 510 HG13 VAL 66 HG13 VAL 66 7.413 -6.044 -10.423 511 HG21 VAL 66 HG21 VAL 66 11.165 -4.080 -10.668 512 HG22 VAL 66 HG22 VAL 66 9.644 -3.189 -10.718 513 HG23 VAL 66 HG23 VAL 66 10.174 -4.107 -12.127 514 H ASP 67 HN ASP 67 10.480 -8.050 -9.554 515 HA ASP 67 HA ASP 67 13.223 -7.741 -10.164 516 HB2 ASP 67 HB2 ASP 67 12.989 -7.409 -7.556 517 HB3 ASP 67 HB1 ASP 67 12.901 -9.167 -7.554 518 H GLU 68 HN GLU 68 12.990 -9.155 -11.813 519 HA GLU 68 HA GLU 68 11.846 -11.795 -11.262 520 HB2 GLU 68 HB2 GLU 68 12.271 -10.169 -13.728 521 HB3 GLU 68 HB1 GLU 68 12.240 -11.920 -13.881 522 HG2 GLU 68 HG2 GLU 68 10.046 -10.823 -12.292 523 HG3 GLU 68 HG1 GLU 68 10.064 -10.290 -13.973 524 H SER 69 HN SER 69 14.418 -11.152 -10.208 525 HA SER 69 HA SER 69 16.001 -13.195 -11.594 526 HB2 SER 69 HB2 SER 69 18.009 -11.609 -10.799 527 HB3 SER 69 HB1 SER 69 17.246 -11.440 -12.379 528 HG SER 69 HG SER 69 16.537 -9.984 -10.047 529 H LYS 70 HN LYS 70 14.369 -13.337 -9.223 530 HA LYS 70 HA LYS 70 16.449 -13.830 -7.193 531 HB2 LYS 70 HB2 LYS 70 13.667 -12.768 -6.968 532 HB3 LYS 70 HB1 LYS 70 14.305 -13.733 -5.644 533 HG2 LYS 70 HG2 LYS 70 16.350 -12.068 -5.915 534 HG3 LYS 70 HG1 LYS 70 15.084 -11.031 -6.575 535 HD2 LYS 70 HD2 LYS 70 14.479 -12.443 -4.043 536 HD3 LYS 70 HD1 LYS 70 15.662 -11.136 -3.966 537 HE2 LYS 70 HE2 LYS 70 13.790 -9.911 -5.416 538 HE3 LYS 70 HE1 LYS 70 12.756 -11.047 -4.550 539 HZ1 LYS 70 HZ1 LYS 70 14.707 -9.583 -2.959 540 HZ2 LYS 70 HZ2 LYS 70 13.116 -10.020 -2.587 541 HZ3 LYS 70 HZ3 LYS 70 13.415 -8.683 -3.579 542 H LYS 71 HN LYS 71 13.063 -14.863 -7.523 543 HA LYS 71 HA LYS 71 12.082 -16.913 -7.453 544 HB2 LYS 71 HB2 LYS 71 14.615 -17.400 -8.939 545 HB3 LYS 71 HB1 LYS 71 13.713 -18.805 -8.388 546 HG2 LYS 71 HG2 LYS 71 12.088 -18.518 -9.904 547 HG3 LYS 71 HG1 LYS 71 12.095 -16.762 -9.732 548 HD2 LYS 71 HD2 LYS 71 12.944 -16.893 -11.836 549 HD3 LYS 71 HD1 LYS 71 14.454 -17.066 -10.940 550 HE2 LYS 71 HE2 LYS 71 12.942 -19.549 -11.469 551 HE3 LYS 71 HE1 LYS 71 13.672 -18.764 -12.869 552 HZ1 LYS 71 HZ1 LYS 71 15.801 -18.772 -11.637 553 HZ2 LYS 71 HZ2 LYS 71 15.217 -20.324 -11.971 554 HZ3 LYS 71 HZ3 LYS 71 15.065 -19.681 -10.414 555 H ARG 72 HN ARG 72 12.697 -19.375 -6.765 556 HA ARG 72 HA ARG 72 13.148 -20.749 -5.010 557 HB2 ARG 72 HB2 ARG 72 15.469 -18.894 -4.459 558 HB3 ARG 72 HB1 ARG 72 15.304 -20.564 -3.934 559 HG2 ARG 72 HG2 ARG 72 15.152 -20.105 -6.841 560 HG3 ARG 72 HG1 ARG 72 16.718 -19.810 -6.083 561 HD2 ARG 72 HD2 ARG 72 17.002 -22.001 -5.494 562 HD3 ARG 72 HD1 ARG 72 15.269 -22.306 -5.376 563 HE ARG 72 HE ARG 72 16.927 -22.601 -7.702 564 HH11 ARG 72 HH11 ARG 72 13.673 -22.049 -6.569 565 HH12 ARG 72 HH12 ARG 72 12.934 -22.660 -8.010 566 HH21 ARG 72 HH21 ARG 72 15.957 -23.405 -9.599 567 HH22 ARG 72 HH22 ARG 72 14.230 -23.431 -9.731 568 H LYS 73 HN LYS 73 13.860 -20.535 -2.478 569 HA LYS 73 HA LYS 73 11.942 -18.599 -1.384 570 HB2 LYS 73 HB2 LYS 73 11.861 -20.059 0.592 571 HB3 LYS 73 HB1 LYS 73 11.444 -20.930 -0.878 572 HG2 LYS 73 HG2 LYS 73 14.151 -21.335 -0.686 573 HG3 LYS 73 HG1 LYS 73 13.627 -21.359 0.998 574 HD2 LYS 73 HD2 LYS 73 13.345 -23.567 0.421 575 HD3 LYS 73 HD1 LYS 73 11.740 -22.922 0.070 576 HE2 LYS 73 HE2 LYS 73 12.366 -24.278 -1.778 577 HE3 LYS 73 HE1 LYS 73 12.493 -22.599 -2.300 578 HZ1 LYS 73 HZ1 LYS 73 14.864 -22.689 -1.998 579 HZ2 LYS 73 HZ2 LYS 73 14.389 -23.962 -3.005 580 HZ3 LYS 73 HZ3 LYS 73 14.776 -24.264 -1.387 581 H ASP 74 HN ASP 74 13.245 -16.787 -1.222 582 HA ASP 74 HA ASP 74 15.708 -16.990 0.338 583 HB2 ASP 74 HB2 ASP 74 16.052 -14.623 -0.347 584 HB3 ASP 74 HB1 ASP 74 15.878 -15.717 -1.715 585 H ASN 75 HN ASN 75 16.018 -14.824 1.715 586 HA ASN 75 HA ASN 75 15.494 -13.739 3.644 587 HB2 ASN 75 HB2 ASN 75 13.613 -12.955 1.968 588 HB3 ASN 75 HB1 ASN 75 12.571 -13.903 3.025 589 HD21 ASN 75 HD21 ASN 75 11.472 -12.411 4.113 590 HD22 ASN 75 HD22 ASN 75 12.174 -11.142 5.051 591 H GLU 76 HN GLU 76 16.086 -15.349 5.072 592 HA GLU 76 HA GLU 76 15.828 -16.835 6.769 593 HB2 GLU 76 HB2 GLU 76 12.970 -15.893 6.542 594 HB3 GLU 76 HB1 GLU 76 13.515 -17.008 7.786 595 HG2 GLU 76 HG2 GLU 76 15.307 -15.101 8.185 596 HG3 GLU 76 HG1 GLU 76 14.036 -14.110 7.469 597 H GLY 77 HN GLY 77 12.652 -17.415 5.295 598 HA2 GLY 77 HA2 GLY 77 13.336 -19.610 3.709 599 HA3 GLY 77 HA1 GLY 77 12.965 -20.220 5.315 600 H ASN 78 HN ASN 78 11.702 -19.107 2.351 601 HA ASN 78 HA ASN 78 9.115 -20.056 2.875 602 HB2 ASN 78 HB2 ASN 78 9.613 -17.232 3.552 603 HB3 ASN 78 HB1 ASN 78 8.213 -17.502 2.517 604 HD21 ASN 78 HD21 ASN 78 9.052 -17.082 5.586 605 HD22 ASN 78 HD22 ASN 78 7.839 -18.017 6.385 606 H GLU 79 HN GLU 79 8.622 -20.800 0.929 607 HA GLU 79 HA GLU 79 9.798 -19.959 -1.466 608 HB2 GLU 79 HB2 GLU 79 8.145 -22.040 -0.670 609 HB3 GLU 79 HB1 GLU 79 7.162 -21.155 -1.829 610 HG2 GLU 79 HG2 GLU 79 9.548 -21.285 -3.126 611 HG3 GLU 79 HG1 GLU 79 9.538 -22.809 -2.241 612 H VAL 80 HN VAL 80 9.625 -17.812 -1.923 613 HA VAL 80 HA VAL 80 6.934 -16.645 -2.079 614 HB VAL 80 HB VAL 80 8.569 -15.390 -0.744 615 HG11 VAL 80 HG11 VAL 80 10.119 -15.301 -3.324 616 HG12 VAL 80 HG12 VAL 80 10.634 -15.963 -1.773 617 HG13 VAL 80 HG13 VAL 80 10.428 -14.222 -1.963 618 HG21 VAL 80 HG21 VAL 80 8.056 -13.817 -3.249 619 HG22 VAL 80 HG22 VAL 80 8.038 -13.266 -1.574 620 HG23 VAL 80 HG23 VAL 80 6.745 -14.303 -2.175 621 H VAL 81 HN VAL 81 6.190 -15.646 -3.949 622 HA VAL 81 HA VAL 81 7.299 -16.696 -6.405 623 HB VAL 81 HB VAL 81 4.926 -14.858 -6.082 624 HG11 VAL 81 HG11 VAL 81 5.674 -16.769 -8.292 625 HG12 VAL 81 HG12 VAL 81 5.838 -15.014 -8.353 626 HG13 VAL 81 HG13 VAL 81 4.238 -15.747 -8.239 627 HG21 VAL 81 HG21 VAL 81 4.650 -16.881 -4.721 628 HG22 VAL 81 HG22 VAL 81 4.970 -17.874 -6.143 629 HG23 VAL 81 HG23 VAL 81 3.534 -16.853 -6.086 630 HA PRO 82 HA PRO 82 9.630 -13.021 -7.330 631 HB2 PRO 82 HB2 PRO 82 10.121 -13.489 -9.949 632 HB3 PRO 82 HB1 PRO 82 10.931 -14.383 -8.657 633 HG2 PRO 82 HG2 PRO 82 8.580 -15.186 -10.328 634 HG3 PRO 82 HG1 PRO 82 9.998 -16.144 -9.861 635 HD2 PRO 82 HD2 PRO 82 7.609 -16.356 -8.599 636 HD3 PRO 82 HD1 PRO 82 9.157 -16.597 -7.764 637 H LYS 83 HN LYS 83 7.177 -12.181 -7.032 638 HA LYS 83 HA LYS 83 6.623 -10.634 -9.466 639 HB2 LYS 83 HB2 LYS 83 4.155 -10.809 -8.812 640 HB3 LYS 83 HB1 LYS 83 4.895 -12.224 -9.548 641 HG2 LYS 83 HG2 LYS 83 4.989 -13.373 -7.503 642 HG3 LYS 83 HG1 LYS 83 4.683 -11.905 -6.572 643 HD2 LYS 83 HD2 LYS 83 2.442 -11.855 -7.893 644 HD3 LYS 83 HD1 LYS 83 2.780 -13.563 -8.178 645 HE2 LYS 83 HE2 LYS 83 3.241 -13.400 -5.520 646 HE3 LYS 83 HE1 LYS 83 1.992 -12.170 -5.706 647 HZ1 LYS 83 HZ1 LYS 83 1.115 -14.411 -5.224 648 HZ2 LYS 83 HZ2 LYS 83 1.747 -14.958 -6.694 649 HZ3 LYS 83 HZ3 LYS 83 0.537 -13.777 -6.683 650 HA PRO 84 HA PRO 84 6.525 -7.120 -6.811 651 HB2 PRO 84 HB2 PRO 84 4.633 -5.561 -7.976 652 HB3 PRO 84 HB1 PRO 84 6.233 -5.818 -8.682 653 HG2 PRO 84 HG2 PRO 84 3.631 -7.139 -9.353 654 HG3 PRO 84 HG1 PRO 84 4.891 -6.531 -10.443 655 HD2 PRO 84 HD2 PRO 84 4.641 -9.155 -9.830 656 HD3 PRO 84 HD1 PRO 84 6.213 -8.399 -10.163 657 H GLN 85 HN GLN 85 5.691 -6.859 -4.844 658 HA GLN 85 HA GLN 85 3.125 -8.001 -4.180 659 HB2 GLN 85 HB2 GLN 85 3.707 -7.214 -1.863 660 HB3 GLN 85 HB1 GLN 85 4.865 -8.325 -2.581 661 HG2 GLN 85 HG2 GLN 85 6.492 -6.743 -2.756 662 HG3 GLN 85 HG1 GLN 85 5.341 -5.416 -2.909 663 HE21 GLN 85 HE21 GLN 85 5.865 -4.073 -1.317 664 HE22 GLN 85 HE22 GLN 85 5.992 -4.499 0.352 665 H ARG 86 HN ARG 86 1.363 -6.880 -3.270 666 HA ARG 86 HA ARG 86 1.365 -3.966 -3.652 667 HB2 ARG 86 HB2 ARG 86 -0.933 -5.761 -4.439 668 HB3 ARG 86 HB1 ARG 86 -0.803 -4.026 -4.696 669 HG2 ARG 86 HG2 ARG 86 0.561 -4.252 -6.495 670 HG3 ARG 86 HG1 ARG 86 1.301 -5.734 -5.888 671 HD2 ARG 86 HD2 ARG 86 -0.263 -7.062 -6.837 672 HD3 ARG 86 HD1 ARG 86 -1.565 -5.907 -6.555 673 HE ARG 86 HE ARG 86 0.101 -4.846 -8.520 674 HH11 ARG 86 HH11 ARG 86 -2.048 -7.563 -8.097 675 HH12 ARG 86 HH12 ARG 86 -2.458 -7.660 -9.777 676 HH21 ARG 86 HH21 ARG 86 -0.437 -4.972 -10.730 677 HH22 ARG 86 HH22 ARG 86 -1.543 -6.190 -11.272 678 H HIS 87 HN HIS 87 1.050 -3.116 -1.705 679 HA HIS 87 HA HIS 87 -0.682 -4.516 0.206 680 HB2 HIS 87 HB2 HIS 87 1.317 -2.287 0.640 681 HB3 HIS 87 HB1 HIS 87 0.352 -3.039 1.906 682 HD1 HIS 87 HD1 HIS 87 0.721 -5.893 1.733 683 HD2 HIS 87 HD2 HIS 87 3.801 -3.317 0.662 684 HE1 HIS 87 HE1 HIS 87 2.827 -7.259 1.895 685 HE2 HIS 87 HE2 HIS 87 4.685 -5.655 1.328 686 H MET 88 HN MET 88 -2.589 -3.698 0.837 687 HA MET 88 HA MET 88 -3.244 -0.945 0.021 688 HB2 MET 88 HB2 MET 88 -5.623 -1.809 -0.233 689 HB3 MET 88 HB1 MET 88 -4.474 -2.303 -1.467 690 HG2 MET 88 HG2 MET 88 -5.677 -4.232 -0.988 691 HG3 MET 88 HG1 MET 88 -4.170 -4.427 -0.096 692 HE1 MET 88 HE1 MET 88 -8.261 -3.390 1.761 693 HE2 MET 88 HE2 MET 88 -8.018 -3.873 0.083 694 HE3 MET 88 HE3 MET 88 -7.427 -2.310 0.645 695 H PHE 89 HN PHE 89 -4.655 0.222 1.360 696 HA PHE 89 HA PHE 89 -5.422 -0.963 3.910 697 HB2 PHE 89 HB2 PHE 89 -4.423 0.880 5.201 698 HB3 PHE 89 HB1 PHE 89 -3.196 -0.051 4.349 699 HD1 PHE 89 HD1 PHE 89 -2.557 0.892 1.975 700 HD2 PHE 89 HD2 PHE 89 -4.338 3.170 5.095 701 HE1 PHE 89 HE1 PHE 89 -1.697 2.958 0.952 702 HE2 PHE 89 HE2 PHE 89 -3.482 5.241 4.078 703 HZ PHE 89 HZ PHE 89 -2.160 5.136 2.003 704 H SER 90 HN SER 90 -7.144 0.074 4.924 705 HA SER 90 HA SER 90 -8.753 1.711 3.164 706 HB2 SER 90 HB2 SER 90 -9.744 1.233 5.897 707 HB3 SER 90 HB1 SER 90 -10.531 0.951 4.345 708 HG SER 90 HG SER 90 -9.647 -0.880 5.878 709 H PHE 91 HN PHE 91 -9.854 3.659 3.967 710 HA PHE 91 HA PHE 91 -8.613 5.102 6.141 711 HB2 PHE 91 HB2 PHE 91 -7.537 5.405 3.575 712 HB3 PHE 91 HB1 PHE 91 -8.549 6.826 3.809 713 HD1 PHE 91 HD1 PHE 91 -8.185 8.207 5.916 714 HD2 PHE 91 HD2 PHE 91 -5.425 5.274 4.540 715 HE1 PHE 91 HE1 PHE 91 -6.413 9.246 7.268 716 HE2 PHE 91 HE2 PHE 91 -3.647 6.308 5.891 717 HZ PHE 91 HZ PHE 91 -4.140 8.297 7.257 718 H ASN 92 HN ASN 92 -9.710 7.124 6.618 719 HA ASN 92 HA ASN 92 -12.362 7.359 5.369 720 HB2 ASN 92 HB2 ASN 92 -11.760 7.399 8.333 721 HB3 ASN 92 HB1 ASN 92 -13.314 7.828 7.625 722 HD21 ASN 92 HD21 ASN 92 -11.648 5.421 9.075 723 HD22 ASN 92 HD22 ASN 92 -12.529 4.055 8.489 724 H ASN 93 HN ASN 93 -9.980 8.888 4.878 725 HA ASN 93 HA ASN 93 -11.057 11.527 5.435 726 HB2 ASN 93 HB2 ASN 93 -8.466 10.518 6.535 727 HB3 ASN 93 HB1 ASN 93 -8.575 12.202 6.031 728 HD21 ASN 93 HD21 ASN 93 -10.796 13.184 6.817 729 HD22 ASN 93 HD22 ASN 93 -11.095 12.967 8.505 730 H ARG 94 HN ARG 94 -11.226 12.327 3.448 731 HA ARG 94 HA ARG 94 -9.738 11.491 1.223 732 HB2 ARG 94 HB2 ARG 94 -11.983 12.945 1.531 733 HB3 ARG 94 HB1 ARG 94 -10.845 14.242 1.192 734 HG2 ARG 94 HG2 ARG 94 -10.576 13.630 -0.962 735 HG3 ARG 94 HG1 ARG 94 -10.731 11.908 -0.607 736 HD2 ARG 94 HD2 ARG 94 -12.700 12.218 -1.702 737 HD3 ARG 94 HD1 ARG 94 -13.226 12.634 -0.072 738 HE ARG 94 HE ARG 94 -13.544 14.788 -0.767 739 HH11 ARG 94 HH11 ARG 94 -11.536 13.146 -3.102 740 HH12 ARG 94 HH12 ARG 94 -11.570 14.454 -4.236 741 HH21 ARG 94 HH21 ARG 94 -13.590 16.509 -2.258 742 HH22 ARG 94 HH22 ARG 94 -12.735 16.363 -3.757 743 H THR 95 HN THR 95 -9.304 14.203 3.439 744 HA THR 95 HA THR 95 -7.155 15.389 1.990 745 HB THR 95 HB THR 95 -7.657 15.730 4.941 746 HG1 THR 95 HG1 THR 95 -9.473 16.667 4.526 747 HG21 THR 95 HG21 THR 95 -6.629 17.748 4.794 748 HG22 THR 95 HG22 THR 95 -7.042 17.964 3.093 749 HG23 THR 95 HG23 THR 95 -5.735 16.872 3.552 750 H VAL 96 HN VAL 96 -7.368 13.129 4.694 751 HA VAL 96 HA VAL 96 -4.545 13.045 5.153 752 HB VAL 96 HB VAL 96 -6.604 11.006 6.000 753 HG11 VAL 96 HG11 VAL 96 -5.005 10.552 7.816 754 HG12 VAL 96 HG12 VAL 96 -3.878 11.697 7.090 755 HG13 VAL 96 HG13 VAL 96 -4.321 10.226 6.224 756 HG21 VAL 96 HG21 VAL 96 -7.047 13.451 6.641 757 HG22 VAL 96 HG22 VAL 96 -5.641 13.287 7.693 758 HG23 VAL 96 HG23 VAL 96 -7.046 12.247 7.929 759 H MET 97 HN MET 97 -6.817 11.231 3.202 760 HA MET 97 HA MET 97 -5.262 8.974 2.648 761 HB2 MET 97 HB2 MET 97 -7.545 10.350 1.332 762 HB3 MET 97 HB1 MET 97 -6.636 9.200 0.360 763 HG2 MET 97 HG2 MET 97 -7.373 8.240 3.029 764 HG3 MET 97 HG1 MET 97 -8.731 8.570 1.955 765 HE1 MET 97 HE1 MET 97 -8.886 6.642 -0.690 766 HE2 MET 97 HE2 MET 97 -7.213 6.843 -1.210 767 HE3 MET 97 HE3 MET 97 -8.112 8.223 -0.578 768 H ASP 98 HN ASP 98 -5.225 12.201 1.280 769 HA ASP 98 HA ASP 98 -3.364 11.462 -0.814 770 HB2 ASP 98 HB2 ASP 98 -4.390 14.181 0.031 771 HB3 ASP 98 HB1 ASP 98 -3.433 13.852 -1.410 772 H ASN 99 HN ASN 99 -3.300 12.904 2.362 773 HA ASN 99 HA ASN 99 -0.772 14.102 2.287 774 HB2 ASN 99 HB2 ASN 99 -2.583 13.111 4.429 775 HB3 ASN 99 HB1 ASN 99 -0.903 13.404 4.867 776 HD21 ASN 99 HD21 ASN 99 -0.449 15.364 5.537 777 HD22 ASN 99 HD22 ASN 99 -1.339 16.799 5.173 778 H ILE 100 HN ILE 100 -1.732 10.771 2.629 779 HA ILE 100 HA ILE 100 0.823 9.844 3.558 780 HB ILE 100 HB ILE 100 -1.430 8.255 2.318 781 HG12 ILE 100 HG12 ILE 100 -2.107 9.535 4.341 782 HG13 ILE 100 HG11 ILE 100 -2.166 7.791 4.580 783 HG21 ILE 100 HG21 ILE 100 0.613 7.007 2.265 784 HG22 ILE 100 HG22 ILE 100 -0.392 6.367 3.565 785 HG23 ILE 100 HG23 ILE 100 0.969 7.424 3.941 786 HD11 ILE 100 HD11 ILE 100 -0.737 7.901 6.268 787 HD12 ILE 100 HD12 ILE 100 -0.923 9.654 6.202 788 HD13 ILE 100 HD13 ILE 100 0.400 8.875 5.335 789 H LYS 101 HN LYS 101 -0.935 9.650 0.468 790 HA LYS 101 HA LYS 101 1.149 8.403 -0.969 791 HB2 LYS 101 HB2 LYS 101 -1.383 8.722 -1.549 792 HB3 LYS 101 HB1 LYS 101 -0.834 10.217 -2.295 793 HG2 LYS 101 HG2 LYS 101 0.235 9.148 -3.986 794 HG3 LYS 101 HG1 LYS 101 0.624 7.738 -2.998 795 HD2 LYS 101 HD2 LYS 101 -0.998 7.145 -4.703 796 HD3 LYS 101 HD1 LYS 101 -1.733 7.039 -3.102 797 HE2 LYS 101 HE2 LYS 101 -3.370 8.150 -4.276 798 HE3 LYS 101 HE1 LYS 101 -2.462 9.497 -3.592 799 HZ1 LYS 101 HZ1 LYS 101 -1.587 10.055 -5.609 800 HZ2 LYS 101 HZ2 LYS 101 -3.082 9.446 -6.112 801 HZ3 LYS 101 HZ3 LYS 101 -1.695 8.486 -6.236 802 H MET 102 HN MET 102 0.210 11.806 -0.614 803 HA MET 102 HA MET 102 2.085 12.889 -2.393 804 HB2 MET 102 HB2 MET 102 1.628 15.003 -1.381 805 HB3 MET 102 HB1 MET 102 0.126 14.092 -1.372 806 HG2 MET 102 HG2 MET 102 0.088 14.932 0.734 807 HG3 MET 102 HG1 MET 102 0.934 13.415 1.033 808 HE1 MET 102 HE1 MET 102 1.034 16.503 2.769 809 HE2 MET 102 HE2 MET 102 0.851 17.105 1.121 810 HE3 MET 102 HE3 MET 102 2.287 17.520 2.057 811 H THR 103 HN THR 103 2.370 11.831 0.921 812 HA THR 103 HA THR 103 4.988 12.999 1.283 813 HB THR 103 HB THR 103 3.431 11.045 2.989 814 HG1 THR 103 HG1 THR 103 2.453 12.746 3.681 815 HG21 THR 103 HG21 THR 103 5.673 12.752 3.978 816 HG22 THR 103 HG22 THR 103 5.977 11.146 3.315 817 HG23 THR 103 HG23 THR 103 4.932 11.336 4.723 818 H LEU 104 HN LEU 104 3.612 9.896 0.433 819 HA LEU 104 HA LEU 104 6.038 8.414 0.717 820 HB2 LEU 104 HB2 LEU 104 3.341 7.825 0.273 821 HB3 LEU 104 HB1 LEU 104 4.164 7.268 -1.171 822 HG LEU 104 HG LEU 104 5.393 6.480 1.402 823 HD11 LEU 104 HD11 LEU 104 2.604 5.874 0.721 824 HD12 LEU 104 HD12 LEU 104 3.442 5.793 2.271 825 HD13 LEU 104 HD13 LEU 104 3.597 4.470 1.114 826 HD21 LEU 104 HD21 LEU 104 4.743 4.526 -0.697 827 HD22 LEU 104 HD22 LEU 104 6.254 4.809 0.167 828 HD23 LEU 104 HD23 LEU 104 5.810 5.841 -1.192 829 H GLN 105 HN GLN 105 4.388 10.017 -1.957 830 HA GLN 105 HA GLN 105 5.960 9.062 -4.061 831 HB2 GLN 105 HB2 GLN 105 5.162 10.977 -5.325 832 HB3 GLN 105 HB1 GLN 105 3.851 10.301 -4.369 833 HG2 GLN 105 HG2 GLN 105 3.837 12.087 -2.889 834 HG3 GLN 105 HG1 GLN 105 5.463 12.598 -3.339 835 HE21 GLN 105 HE21 GLN 105 2.387 11.986 -5.008 836 HE22 GLN 105 HE22 GLN 105 2.389 13.458 -5.912 837 H GLN 106 HN GLN 106 6.564 11.548 -1.690 838 HA GLN 106 HA GLN 106 8.781 12.726 -3.067 839 HB2 GLN 106 HB2 GLN 106 7.499 13.020 -0.406 840 HB3 GLN 106 HB1 GLN 106 9.185 13.503 -0.528 841 HG2 GLN 106 HG2 GLN 106 8.127 14.702 -2.722 842 HG3 GLN 106 HG1 GLN 106 6.775 14.776 -1.592 843 HE21 GLN 106 HE21 GLN 106 9.946 15.902 -2.344 844 HE22 GLN 106 HE22 GLN 106 10.050 17.099 -1.103 845 H ILE 107 HN ILE 107 8.376 10.218 -0.636 846 HA ILE 107 HA ILE 107 11.142 9.961 -0.008 847 HB ILE 107 HB ILE 107 8.989 7.870 0.318 848 HG12 ILE 107 HG12 ILE 107 9.890 9.804 2.442 849 HG13 ILE 107 HG11 ILE 107 8.572 10.203 1.345 850 HG21 ILE 107 HG21 ILE 107 10.498 7.225 2.265 851 HG22 ILE 107 HG22 ILE 107 11.722 8.243 1.507 852 HG23 ILE 107 HG23 ILE 107 11.078 6.847 0.643 853 HD11 ILE 107 HD11 ILE 107 8.389 7.597 2.707 854 HD12 ILE 107 HD12 ILE 107 7.137 8.785 2.342 855 HD13 ILE 107 HD13 ILE 107 8.214 9.033 3.717 856 H ILE 108 HN ILE 108 8.982 8.396 -2.313 857 HA ILE 108 HA ILE 108 10.898 6.443 -3.155 858 HB ILE 108 HB ILE 108 8.454 7.370 -4.663 859 HG12 ILE 108 HG12 ILE 108 8.549 4.988 -2.827 860 HG13 ILE 108 HG11 ILE 108 8.134 6.586 -2.214 861 HG21 ILE 108 HG21 ILE 108 9.370 6.006 -6.193 862 HG22 ILE 108 HG22 ILE 108 8.749 4.718 -5.162 863 HG23 ILE 108 HG23 ILE 108 10.430 5.231 -5.016 864 HD11 ILE 108 HD11 ILE 108 6.654 5.718 -4.600 865 HD12 ILE 108 HD12 ILE 108 6.096 6.557 -3.153 866 HD13 ILE 108 HD13 ILE 108 6.339 4.810 -3.121 867 H SER 109 HN SER 109 9.724 9.522 -4.473 868 HA SER 109 HA SER 109 11.174 9.495 -6.863 869 HB2 SER 109 HB2 SER 109 9.312 11.101 -6.154 870 HB3 SER 109 HB1 SER 109 10.563 12.002 -5.299 871 HG SER 109 HG SER 109 9.956 12.037 -7.906 872 H ARG 110 HN ARG 110 12.062 10.613 -3.633 873 HA ARG 110 HA ARG 110 14.503 11.826 -4.313 874 HB2 ARG 110 HB2 ARG 110 13.037 11.417 -1.982 875 HB3 ARG 110 HB1 ARG 110 14.543 10.557 -1.696 876 HG2 ARG 110 HG2 ARG 110 15.697 12.706 -2.474 877 HG3 ARG 110 HG1 ARG 110 14.123 13.470 -2.246 878 HD2 ARG 110 HD2 ARG 110 14.998 13.818 -0.172 879 HD3 ARG 110 HD1 ARG 110 14.277 12.231 0.091 880 HE ARG 110 HE ARG 110 16.834 11.734 -0.775 881 HH11 ARG 110 HH11 ARG 110 15.385 13.474 1.880 882 HH12 ARG 110 HH12 ARG 110 16.716 13.196 2.952 883 HH21 ARG 110 HH21 ARG 110 18.586 11.368 0.633 884 HH22 ARG 110 HH22 ARG 110 18.534 12.001 2.245 885 H TYR 111 HN TYR 111 13.748 8.516 -3.282 886 HA TYR 111 HA TYR 111 16.516 7.709 -3.674 887 HB2 TYR 111 HB2 TYR 111 14.223 5.897 -2.944 888 HB3 TYR 111 HB1 TYR 111 15.939 5.665 -2.629 889 HD1 TYR 111 HD2 TYR 111 16.490 8.487 -1.592 890 HD2 TYR 111 HD1 TYR 111 13.419 5.674 -0.722 891 HE1 TYR 111 HE2 TYR 111 16.215 9.487 0.638 892 HE2 TYR 111 HE1 TYR 111 13.135 6.666 1.510 893 HH TYR 111 HH TYR 111 14.525 9.652 2.386 894 H LYS 112 HN LYS 112 14.228 8.338 -5.795 895 HA LYS 112 HA LYS 112 14.465 5.884 -7.366 896 HB2 LYS 112 HB2 LYS 112 12.616 8.206 -7.349 897 HB3 LYS 112 HB1 LYS 112 12.927 7.455 -8.908 898 HG2 LYS 112 HG2 LYS 112 12.391 5.454 -6.911 899 HG3 LYS 112 HG1 LYS 112 11.094 6.649 -6.967 900 HD2 LYS 112 HD2 LYS 112 12.061 5.733 -9.589 901 HD3 LYS 112 HD1 LYS 112 11.272 4.495 -8.609 902 HE2 LYS 112 HE2 LYS 112 9.347 6.030 -8.311 903 HE3 LYS 112 HE1 LYS 112 10.129 7.169 -9.406 904 HZ1 LYS 112 HZ1 LYS 112 8.387 5.327 -10.201 905 HZ2 LYS 112 HZ2 LYS 112 9.824 4.459 -10.404 906 HZ3 LYS 112 HZ3 LYS 112 9.611 5.936 -11.199 907 H ASP 113 HN ASP 113 15.112 9.363 -7.612 908 HA ASP 113 HA ASP 113 16.376 9.131 -10.176 909 HB2 ASP 113 HB2 ASP 113 15.250 11.206 -8.872 910 HB3 ASP 113 HB1 ASP 113 16.943 11.499 -8.485 911 H ALA 114 HN ALA 114 17.416 9.107 -6.841 912 HA ALA 114 HA ALA 114 20.155 9.593 -7.222 913 HB1 ALA 114 HB1 ALA 114 20.365 9.180 -5.011 914 HB2 ALA 114 HB2 ALA 114 19.404 7.703 -5.084 915 HB3 ALA 114 HB3 ALA 114 18.604 9.275 -5.052 916 H ASP 115 HN ASP 115 18.224 6.692 -7.556 917 HA ASP 115 HA ASP 115 18.741 4.533 -8.107 918 HB2 ASP 115 HB2 ASP 115 20.005 4.327 -10.177 919 HB3 ASP 115 HB1 ASP 115 18.932 5.720 -10.264 920 H1 ASP 453 HN ASP 453 -16.191 -14.284 -5.933 921 HA ASP 453 HA ASP 453 -14.547 -13.003 -6.841 922 HB2 ASP 453 HB2 ASP 453 -16.413 -12.984 -8.686 923 HB3 ASP 453 HB1 ASP 453 -16.587 -11.295 -8.219 924 H LEU 454 HN LEU 454 -15.655 -12.239 -4.299 925 HA LEU 454 HA LEU 454 -15.777 -9.352 -4.264 926 HB2 LEU 454 HB2 LEU 454 -16.004 -11.520 -2.221 927 HB3 LEU 454 HB1 LEU 454 -15.667 -9.883 -1.690 928 HG LEU 454 HG LEU 454 -18.045 -10.630 -3.389 929 HD11 LEU 454 HD11 LEU 454 -19.354 -10.856 -1.514 930 HD12 LEU 454 HD12 LEU 454 -18.239 -9.947 -0.493 931 HD13 LEU 454 HD13 LEU 454 -17.848 -11.599 -0.973 932 HD21 LEU 454 HD21 LEU 454 -17.373 -8.142 -1.822 933 HD22 LEU 454 HD22 LEU 454 -18.878 -8.435 -2.693 934 HD23 LEU 454 HD23 LEU 454 -17.358 -8.303 -3.578 935 H ASP 455 HN ASP 455 -13.433 -11.863 -3.620 936 HA ASP 455 HA ASP 455 -11.537 -10.106 -2.361 937 HB2 ASP 455 HB2 ASP 455 -11.297 -12.925 -3.427 938 HB3 ASP 455 HB1 ASP 455 -9.986 -12.072 -2.617 939 H GLU 456 HN GLU 456 -12.119 -11.343 -5.590 940 HA GLU 456 HA GLU 456 -9.651 -10.500 -6.715 941 HB2 GLU 456 HB2 GLU 456 -12.311 -11.299 -7.855 942 HB3 GLU 456 HB1 GLU 456 -11.052 -10.652 -8.898 943 HG2 GLU 456 HG2 GLU 456 -11.107 -13.112 -8.848 944 HG3 GLU 456 HG1 GLU 456 -9.567 -12.442 -8.311 945 H SER 457 HN SER 457 -12.729 -8.945 -6.161 946 HA SER 457 HA SER 457 -12.475 -6.764 -7.895 947 HB2 SER 457 HB2 SER 457 -13.989 -7.256 -5.358 948 HB3 SER 457 HB1 SER 457 -13.933 -5.623 -6.022 949 HG SER 457 HG SER 457 -15.651 -7.297 -6.709 950 H TRP 458 HN TRP 458 -11.021 -7.420 -4.799 951 HA TRP 458 HA TRP 458 -10.274 -4.843 -4.033 952 HB2 TRP 458 HB2 TRP 458 -9.575 -7.564 -3.301 953 HB3 TRP 458 HB1 TRP 458 -8.174 -6.501 -3.225 954 HD1 TRP 458 HD1 TRP 458 -8.027 -6.425 -0.600 955 HE1 TRP 458 HE1 TRP 458 -9.501 -5.361 1.221 956 HE3 TRP 458 HE3 TRP 458 -12.156 -5.358 -3.419 957 HZ2 TRP 458 HZ2 TRP 458 -12.075 -4.220 1.434 958 HZ3 TRP 458 HZ3 TRP 458 -14.081 -4.280 -2.330 959 HH2 TRP 458 HH2 TRP 458 -14.040 -3.724 0.047 960 H ASP 459 HN ASP 459 -8.975 -6.948 -6.475 961 HA ASP 459 HA ASP 459 -6.515 -5.471 -6.773 962 HB2 ASP 459 HB2 ASP 459 -7.737 -7.553 -8.597 963 HB3 ASP 459 HB1 ASP 459 -6.078 -6.965 -8.651 964 H TYR 460 HN TYR 460 -9.704 -5.453 -8.173 965 HA TYR 460 HA TYR 460 -8.907 -3.747 -10.381 966 HB2 TYR 460 HB2 TYR 460 -11.356 -5.212 -9.589 967 HB3 TYR 460 HB1 TYR 460 -11.606 -3.720 -10.489 968 HD1 TYR 460 HD2 TYR 460 -9.042 -6.430 -10.746 969 HD2 TYR 460 HD1 TYR 460 -12.124 -4.227 -12.680 970 HE1 TYR 460 HE2 TYR 460 -8.570 -7.624 -12.843 971 HE2 TYR 460 HE1 TYR 460 -11.662 -5.415 -14.783 972 HH TYR 460 HH TYR 460 -10.238 -8.125 -15.090 973 H ILE 461 HN ILE 461 -10.651 -3.491 -7.327 974 HA ILE 461 HA ILE 461 -11.656 -0.904 -7.602 975 HB ILE 461 HB ILE 461 -12.306 -2.406 -5.772 976 HG12 ILE 461 HG12 ILE 461 -11.114 0.214 -4.835 977 HG13 ILE 461 HG11 ILE 461 -12.711 0.001 -5.543 978 HG21 ILE 461 HG21 ILE 461 -9.714 -1.741 -4.411 979 HG22 ILE 461 HG22 ILE 461 -9.912 -3.191 -5.395 980 HG23 ILE 461 HG23 ILE 461 -10.915 -2.952 -3.964 981 HD11 ILE 461 HD11 ILE 461 -12.698 0.236 -3.073 982 HD12 ILE 461 HD12 ILE 461 -11.824 -1.293 -2.979 983 HD13 ILE 461 HD13 ILE 461 -13.453 -1.249 -3.652 984 H PHE 462 HN PHE 462 -8.450 -2.032 -6.749 985 HA PHE 462 HA PHE 462 -7.562 0.682 -6.146 986 HB2 PHE 462 HB2 PHE 462 -6.263 -2.025 -5.904 987 HB3 PHE 462 HB1 PHE 462 -5.345 -0.534 -5.719 988 HD1 PHE 462 HD2 PHE 462 -6.903 1.220 -4.174 989 HD2 PHE 462 HD1 PHE 462 -6.662 -3.019 -3.883 990 HE1 PHE 462 HE2 PHE 462 -7.584 1.347 -1.813 991 HE2 PHE 462 HE1 PHE 462 -7.344 -2.900 -1.523 992 HZ PHE 462 HZ PHE 462 -7.805 -0.714 -0.484 993 H GLU 463 HN GLU 463 -7.298 -1.772 -8.617 994 HA GLU 463 HA GLU 463 -5.124 -0.657 -10.040 995 HB2 GLU 463 HB2 GLU 463 -7.244 -2.664 -10.603 996 HB3 GLU 463 HB1 GLU 463 -6.422 -1.956 -11.987 997 HG2 GLU 463 HG2 GLU 463 -4.287 -2.700 -11.156 998 HG3 GLU 463 HG1 GLU 463 -5.039 -3.306 -9.681 999 H THR 464 HN THR 464 -8.629 -0.510 -10.687 1000 HA THR 464 HA THR 464 -8.223 1.630 -12.604 1001 HB THR 464 HB THR 464 -9.859 -0.104 -13.117 1002 HG1 THR 464 HG1 THR 464 -11.228 2.304 -12.535 1003 HG21 THR 464 HG21 THR 464 -12.079 0.460 -11.584 1004 HG22 THR 464 HG22 THR 464 -10.761 0.380 -10.414 1005 HG23 THR 464 HG23 THR 464 -11.072 -0.984 -11.487 1006 H THR 465 HN THR 465 -8.724 3.746 -12.318 1007 HA THR 465 HA THR 465 -9.895 4.541 -9.739 1008 HB THR 465 HB THR 465 -7.579 5.943 -11.085 1009 HG1 THR 465 HG1 THR 465 -7.558 4.336 -8.750 1010 HG21 THR 465 HG21 THR 465 -8.163 7.632 -9.766 1011 HG22 THR 465 HG22 THR 465 -7.577 6.634 -8.435 1012 HG23 THR 465 HG23 THR 465 -9.293 6.639 -8.845 Start of MODEL 14 1 H2 PRO 1 HT1 PRO 1 2.414 13.761 12.592 2 H3 PRO 1 HT2 PRO 1 1.645 12.911 13.773 3 HA PRO 1 HA PRO 1 0.331 14.443 14.276 4 HB2 PRO 1 HB2 PRO 1 1.639 16.919 13.864 5 HB3 PRO 1 HB1 PRO 1 1.291 16.130 15.408 6 HG2 PRO 1 HG2 PRO 1 3.778 16.094 13.782 7 HG3 PRO 1 HG1 PRO 1 3.581 16.017 15.542 8 HD2 PRO 1 HD2 PRO 1 4.244 13.839 14.155 9 HD3 PRO 1 HD1 PRO 1 3.107 13.732 15.513 10 H SER 2 HN SER 2 2.527 15.650 11.733 11 HA SER 2 HA SER 2 0.214 16.434 10.129 12 HB2 SER 2 HB2 SER 2 2.157 18.000 10.456 13 HB3 SER 2 HB1 SER 2 3.142 16.879 9.517 14 HG SER 2 HG SER 2 0.953 18.446 8.684 15 H HIS 3 HN HIS 3 2.834 14.127 10.194 16 HA HIS 3 HA HIS 3 2.086 13.112 7.551 17 HB2 HIS 3 HB2 HIS 3 4.475 12.731 9.329 18 HB3 HIS 3 HB1 HIS 3 4.129 11.572 8.049 19 HD1 HIS 3 HD1 HIS 3 4.978 15.216 8.547 20 HD2 HIS 3 HD2 HIS 3 4.847 12.374 5.519 21 HE1 HIS 3 HE1 HIS 3 6.066 16.303 6.557 22 HE2 HIS 3 HE2 HIS 3 5.896 14.596 4.712 23 H SER 4 HN SER 4 0.080 12.197 8.186 24 HA SER 4 HA SER 4 0.197 9.475 8.864 25 HB2 SER 4 HB2 SER 4 -0.999 9.551 11.051 26 HB3 SER 4 HB1 SER 4 0.632 10.217 11.133 27 HG SER 4 HG SER 4 -1.825 11.482 11.390 28 H GLY 5 HN GLY 5 -1.969 8.485 9.020 29 HA2 GLY 5 HA2 GLY 5 -4.298 10.059 8.495 30 HA3 GLY 5 HA1 GLY 5 -3.686 9.302 7.032 31 H ALA 6 HN ALA 6 -6.213 8.865 8.441 32 HA ALA 6 HA ALA 6 -6.191 6.453 9.881 33 HB1 ALA 6 HB1 ALA 6 -8.329 7.886 8.337 34 HB2 ALA 6 HB2 ALA 6 -8.122 7.765 10.084 35 HB3 ALA 6 HB3 ALA 6 -8.637 6.356 9.158 36 H ALA 7 HN ALA 7 -5.305 4.649 9.084 37 HA ALA 7 HA ALA 7 -6.119 3.794 6.382 38 HB1 ALA 7 HB1 ALA 7 -4.000 2.891 5.962 39 HB2 ALA 7 HB2 ALA 7 -3.531 2.972 7.660 40 HB3 ALA 7 HB3 ALA 7 -3.671 4.452 6.713 41 H ILE 8 HN ILE 8 -7.075 1.858 6.222 42 HA ILE 8 HA ILE 8 -7.126 0.160 8.628 43 HB ILE 8 HB ILE 8 -9.155 0.161 6.397 44 HG12 ILE 8 HG12 ILE 8 -9.256 1.569 9.075 45 HG13 ILE 8 HG11 ILE 8 -9.158 2.348 7.499 46 HG21 ILE 8 HG21 ILE 8 -8.691 -1.764 8.214 47 HG22 ILE 8 HG22 ILE 8 -10.286 -1.415 7.548 48 HG23 ILE 8 HG23 ILE 8 -9.822 -0.756 9.117 49 HD11 ILE 8 HD11 ILE 8 -11.360 2.353 7.355 50 HD12 ILE 8 HD12 ILE 8 -11.455 1.608 8.950 51 HD13 ILE 8 HD13 ILE 8 -11.397 0.597 7.506 52 H PHE 9 HN PHE 9 -5.583 -1.347 8.352 53 HA PHE 9 HA PHE 9 -5.447 -2.744 5.767 54 HB2 PHE 9 HB2 PHE 9 -3.365 -1.632 6.704 55 HB3 PHE 9 HB1 PHE 9 -3.393 -2.847 7.978 56 HD1 PHE 9 HD2 PHE 9 -4.103 -3.176 4.341 57 HD2 PHE 9 HD1 PHE 9 -1.558 -4.199 7.595 58 HE1 PHE 9 HE2 PHE 9 -2.868 -4.725 2.882 59 HE2 PHE 9 HE1 PHE 9 -0.318 -5.750 6.142 60 HZ PHE 9 HZ PHE 9 -0.972 -6.015 3.783 61 H GLU 10 HN GLU 10 -5.715 -4.929 5.638 62 HA GLU 10 HA GLU 10 -6.417 -7.016 6.204 63 HB2 GLU 10 HB2 GLU 10 -5.382 -6.389 8.971 64 HB3 GLU 10 HB1 GLU 10 -5.632 -7.980 8.267 65 HG2 GLU 10 HG2 GLU 10 -3.792 -6.159 6.841 66 HG3 GLU 10 HG1 GLU 10 -3.249 -6.803 8.389 67 H LYS 11 HN LYS 11 -8.209 -4.753 6.478 68 HA LYS 11 HA LYS 11 -10.327 -4.310 7.173 69 HB2 LYS 11 HB2 LYS 11 -10.056 -7.231 7.699 70 HB3 LYS 11 HB1 LYS 11 -11.441 -6.398 8.391 71 HG2 LYS 11 HG2 LYS 11 -10.735 -6.250 5.474 72 HG3 LYS 11 HG1 LYS 11 -11.807 -7.478 6.151 73 HD2 LYS 11 HD2 LYS 11 -12.987 -5.343 7.188 74 HD3 LYS 11 HD1 LYS 11 -12.237 -4.558 5.797 75 HE2 LYS 11 HE2 LYS 11 -13.361 -6.015 4.278 76 HE3 LYS 11 HE1 LYS 11 -13.936 -7.036 5.595 77 HZ1 LYS 11 HZ1 LYS 11 -15.497 -5.487 6.231 78 HZ2 LYS 11 HZ2 LYS 11 -15.520 -5.312 4.549 79 HZ3 LYS 11 HZ3 LYS 11 -14.688 -4.191 5.504 80 H VAL 12 HN VAL 12 -8.177 -3.581 8.868 81 HA VAL 12 HA VAL 12 -9.533 -3.678 11.481 82 HB VAL 12 HB VAL 12 -6.541 -3.688 11.051 83 HG11 VAL 12 HG11 VAL 12 -6.928 -2.506 13.041 84 HG12 VAL 12 HG12 VAL 12 -6.593 -4.157 13.562 85 HG13 VAL 12 HG13 VAL 12 -8.254 -3.567 13.516 86 HG21 VAL 12 HG21 VAL 12 -6.823 -5.940 12.278 87 HG22 VAL 12 HG22 VAL 12 -7.202 -5.861 10.557 88 HG23 VAL 12 HG23 VAL 12 -8.502 -5.840 11.748 89 H SER 13 HN SER 13 -9.966 -1.761 12.348 90 HA SER 13 HA SER 13 -9.315 0.640 10.939 91 HB2 SER 13 HB2 SER 13 -10.611 0.297 13.654 92 HB3 SER 13 HB1 SER 13 -10.600 1.774 12.691 93 HG SER 13 HG SER 13 -11.661 0.405 11.031 94 H GLY 14 HN GLY 14 -7.449 1.684 11.083 95 HA2 GLY 14 HA2 GLY 14 -6.257 2.197 13.671 96 HA3 GLY 14 HA1 GLY 14 -5.289 1.178 12.616 97 H ILE 15 HN ILE 15 -4.166 3.465 13.416 98 HA ILE 15 HA ILE 15 -4.524 5.367 11.200 99 HB ILE 15 HB ILE 15 -2.985 5.861 13.744 100 HG12 ILE 15 HG12 ILE 15 -5.285 5.381 14.363 101 HG13 ILE 15 HG11 ILE 15 -4.988 7.110 14.516 102 HG21 ILE 15 HG21 ILE 15 -2.963 8.114 13.127 103 HG22 ILE 15 HG22 ILE 15 -4.247 7.895 11.939 104 HG23 ILE 15 HG23 ILE 15 -2.636 7.253 11.623 105 HD11 ILE 15 HD11 ILE 15 -5.931 6.759 11.919 106 HD12 ILE 15 HD12 ILE 15 -6.801 7.439 13.295 107 HD13 ILE 15 HD13 ILE 15 -6.934 5.718 12.930 108 H ILE 16 HN ILE 16 -2.856 5.886 9.857 109 HA ILE 16 HA ILE 16 -0.466 4.202 10.073 110 HB ILE 16 HB ILE 16 -2.076 4.505 7.943 111 HG12 ILE 16 HG12 ILE 16 0.854 4.263 7.394 112 HG13 ILE 16 HG11 ILE 16 0.072 3.072 8.429 113 HG21 ILE 16 HG21 ILE 16 0.169 6.316 7.158 114 HG22 ILE 16 HG22 ILE 16 -1.291 6.976 7.896 115 HG23 ILE 16 HG23 ILE 16 -1.398 6.072 6.386 116 HD11 ILE 16 HD11 ILE 16 -0.212 2.019 6.459 117 HD12 ILE 16 HD12 ILE 16 -0.167 3.514 5.526 118 HD13 ILE 16 HD13 ILE 16 -1.639 3.051 6.379 119 H ALA 17 HN ALA 17 1.605 5.047 9.992 120 HA ALA 17 HA ALA 17 1.866 7.972 10.036 121 HB1 ALA 17 HB1 ALA 17 2.611 6.060 12.182 122 HB2 ALA 17 HB2 ALA 17 1.997 7.709 12.296 123 HB3 ALA 17 HB3 ALA 17 3.686 7.424 11.879 124 H ILE 18 HN ILE 18 3.188 8.493 8.432 125 HA ILE 18 HA ILE 18 5.182 6.598 7.489 126 HB ILE 18 HB ILE 18 4.599 9.349 6.397 127 HG12 ILE 18 HG12 ILE 18 3.403 6.685 5.598 128 HG13 ILE 18 HG11 ILE 18 2.548 8.001 6.395 129 HG21 ILE 18 HG21 ILE 18 5.829 6.939 5.070 130 HG22 ILE 18 HG22 ILE 18 6.745 8.283 5.754 131 HG23 ILE 18 HG23 ILE 18 5.659 8.558 4.391 132 HD11 ILE 18 HD11 ILE 18 3.832 8.886 3.965 133 HD12 ILE 18 HD12 ILE 18 2.145 9.010 4.465 134 HD13 ILE 18 HD13 ILE 18 2.726 7.542 3.677 135 H ASN 19 HN ASN 19 7.335 6.786 7.747 136 HA ASN 19 HA ASN 19 8.290 8.989 9.430 137 HB2 ASN 19 HB2 ASN 19 8.637 6.347 9.797 138 HB3 ASN 19 HB1 ASN 19 10.062 6.687 8.821 139 HD21 ASN 19 HD21 ASN 19 8.338 8.433 11.386 140 HD22 ASN 19 HD22 ASN 19 9.727 8.680 12.384 141 H GLU 20 HN GLU 20 9.032 10.650 8.277 142 HA GLU 20 HA GLU 20 10.586 10.098 5.843 143 HB2 GLU 20 HB2 GLU 20 8.842 12.360 6.702 144 HB3 GLU 20 HB1 GLU 20 10.184 12.710 5.620 145 HG2 GLU 20 HG2 GLU 20 9.049 10.538 4.424 146 HG3 GLU 20 HG1 GLU 20 7.646 11.364 5.099 147 H ASP 21 HN ASP 21 11.565 9.990 8.654 148 HA ASP 21 HA ASP 21 13.424 12.244 8.732 149 HB2 ASP 21 HB2 ASP 21 12.094 11.322 10.768 150 HB3 ASP 21 HB1 ASP 21 13.313 10.050 10.782 151 H VAL 22 HN VAL 22 13.307 8.810 8.167 152 HA VAL 22 HA VAL 22 16.234 8.694 7.949 153 HB VAL 22 HB VAL 22 15.166 6.983 9.361 154 HG11 VAL 22 HG11 VAL 22 13.819 5.202 8.274 155 HG12 VAL 22 HG12 VAL 22 13.769 6.187 6.813 156 HG13 VAL 22 HG13 VAL 22 13.025 6.776 8.299 157 HG21 VAL 22 HG21 VAL 22 17.058 6.569 7.339 158 HG22 VAL 22 HG22 VAL 22 15.999 5.160 7.305 159 HG23 VAL 22 HG23 VAL 22 16.818 5.612 8.799 160 H SER 23 HN SER 23 17.235 7.946 6.050 161 HA SER 23 HA SER 23 16.352 8.845 3.643 162 HB2 SER 23 HB2 SER 23 18.550 8.208 3.509 163 HB3 SER 23 HB1 SER 23 18.292 6.726 4.427 164 HG SER 23 HG SER 23 18.729 6.356 2.188 165 HA PRO 24 HA PRO 24 14.359 4.695 2.286 166 HB2 PRO 24 HB2 PRO 24 14.306 2.627 4.048 167 HB3 PRO 24 HB1 PRO 24 15.639 2.886 2.917 168 HG2 PRO 24 HG2 PRO 24 15.447 3.614 5.816 169 HG3 PRO 24 HG1 PRO 24 16.802 2.885 4.933 170 HD2 PRO 24 HD2 PRO 24 16.725 5.518 5.531 171 HD3 PRO 24 HD1 PRO 24 17.476 4.907 4.045 172 H ALA 25 HN ALA 25 12.709 6.352 2.789 173 HA ALA 25 HA ALA 25 11.253 6.725 5.038 174 HB1 ALA 25 HB1 ALA 25 9.237 6.820 3.275 175 HB2 ALA 25 HB2 ALA 25 10.604 6.835 2.160 176 HB3 ALA 25 HB3 ALA 25 10.468 8.076 3.406 177 H GLU 26 HN GLU 26 9.915 5.616 6.312 178 HA GLU 26 HA GLU 26 8.912 3.018 5.341 179 HB2 GLU 26 HB2 GLU 26 10.758 3.255 7.279 180 HB3 GLU 26 HB1 GLU 26 9.305 3.409 8.256 181 HG2 GLU 26 HG2 GLU 26 8.495 1.275 7.419 182 HG3 GLU 26 HG1 GLU 26 9.925 1.123 6.398 183 H LEU 27 HN LEU 27 6.850 2.381 5.987 184 HA LEU 27 HA LEU 27 5.178 4.544 7.087 185 HB2 LEU 27 HB2 LEU 27 4.592 4.102 4.801 186 HB3 LEU 27 HB1 LEU 27 4.529 2.375 5.096 187 HG LEU 27 HG LEU 27 2.677 4.113 6.647 188 HD11 LEU 27 HD11 LEU 27 2.799 4.549 3.979 189 HD12 LEU 27 HD12 LEU 27 1.333 4.702 4.947 190 HD13 LEU 27 HD13 LEU 27 1.644 3.217 4.048 191 HD21 LEU 27 HD21 LEU 27 3.079 1.376 6.303 192 HD22 LEU 27 HD22 LEU 27 1.605 1.739 5.406 193 HD23 LEU 27 HD23 LEU 27 1.724 2.160 7.114 194 H THR 28 HN THR 28 4.387 4.174 9.044 195 HA THR 28 HA THR 28 4.234 1.404 10.008 196 HB THR 28 HB THR 28 4.162 3.970 11.607 197 HG1 THR 28 HG1 THR 28 6.218 3.970 11.247 198 HG21 THR 28 HG21 THR 28 5.112 2.061 13.270 199 HG22 THR 28 HG22 THR 28 3.926 1.147 12.340 200 HG23 THR 28 HG23 THR 28 3.434 2.598 13.212 201 H TRP 29 HN TRP 29 2.386 0.655 11.108 202 HA TRP 29 HA TRP 29 -0.020 2.309 10.977 203 HB2 TRP 29 HB2 TRP 29 -0.144 1.142 8.891 204 HB3 TRP 29 HB1 TRP 29 0.293 -0.386 9.647 205 HD1 TRP 29 HD1 TRP 29 -2.634 2.167 9.814 206 HE1 TRP 29 HE1 TRP 29 -4.809 0.844 10.195 207 HE3 TRP 29 HE3 TRP 29 -0.667 -2.536 10.215 208 HZ2 TRP 29 HZ2 TRP 29 -5.588 -1.837 10.611 209 HZ3 TRP 29 HZ3 TRP 29 -2.195 -4.424 10.604 210 HH2 TRP 29 HH2 TRP 29 -4.604 -4.081 10.799 211 H ARG 30 HN ARG 30 -0.955 2.249 12.900 212 HA ARG 30 HA ARG 30 -0.737 -0.216 14.501 213 HB2 ARG 30 HB2 ARG 30 -0.937 1.313 16.502 214 HB3 ARG 30 HB1 ARG 30 0.571 1.432 15.605 215 HG2 ARG 30 HG2 ARG 30 -1.558 3.289 14.776 216 HG3 ARG 30 HG1 ARG 30 -0.886 3.551 16.387 217 HD2 ARG 30 HD2 ARG 30 1.376 3.165 14.955 218 HD3 ARG 30 HD1 ARG 30 0.343 3.908 13.734 219 HE ARG 30 HE ARG 30 0.036 5.532 15.874 220 HH11 ARG 30 HH11 ARG 30 2.838 4.306 14.194 221 HH12 ARG 30 HH12 ARG 30 3.813 5.692 14.549 222 HH21 ARG 30 HH21 ARG 30 1.316 7.357 16.341 223 HH22 ARG 30 HH22 ARG 30 2.949 7.425 15.768 224 H SER 31 HN SER 31 -2.555 -0.961 15.536 225 HA SER 31 HA SER 31 -5.049 -0.414 14.399 226 HB2 SER 31 HB2 SER 31 -5.956 -1.707 16.382 227 HB3 SER 31 HB1 SER 31 -4.711 -2.536 15.447 228 HG SER 31 HG SER 31 -3.234 -2.097 17.033 229 H THR 32 HN THR 32 -6.825 0.754 15.072 230 HA THR 32 HA THR 32 -6.379 3.203 16.337 231 HB THR 32 HB THR 32 -8.244 2.794 14.789 232 HG1 THR 32 HG1 THR 32 -9.412 4.263 15.749 233 HG21 THR 32 HG21 THR 32 -8.801 0.517 15.919 234 HG22 THR 32 HG22 THR 32 -10.084 1.500 15.213 235 HG23 THR 32 HG23 THR 32 -9.825 1.508 16.958 236 H ASP 33 HN ASP 33 -7.760 0.192 17.594 237 HA ASP 33 HA ASP 33 -7.007 0.958 20.281 238 HB2 ASP 33 HB2 ASP 33 -9.905 0.355 19.651 239 HB3 ASP 33 HB1 ASP 33 -9.229 0.696 21.241 240 H GLY 34 HN GLY 34 -6.292 -1.119 18.367 241 HA2 GLY 34 HA2 GLY 34 -7.327 -3.523 19.722 242 HA3 GLY 34 HA1 GLY 34 -6.603 -3.499 18.122 243 H ASP 35 HN ASP 35 -4.864 -4.775 18.280 244 HA ASP 35 HA ASP 35 -2.691 -3.920 19.988 245 HB2 ASP 35 HB2 ASP 35 -4.158 -6.499 20.408 246 HB3 ASP 35 HB1 ASP 35 -2.427 -6.424 20.722 247 H LYS 36 HN LYS 36 -3.225 -4.094 17.134 248 HA LYS 36 HA LYS 36 -0.995 -5.863 16.390 249 HB2 LYS 36 HB2 LYS 36 -3.524 -5.412 14.795 250 HB3 LYS 36 HB1 LYS 36 -2.135 -6.347 14.259 251 HG2 LYS 36 HG2 LYS 36 -2.640 -8.120 15.582 252 HG3 LYS 36 HG1 LYS 36 -3.377 -7.118 16.834 253 HD2 LYS 36 HD2 LYS 36 -5.418 -7.089 15.800 254 HD3 LYS 36 HD1 LYS 36 -4.724 -7.266 14.187 255 HE2 LYS 36 HE2 LYS 36 -4.730 -9.521 14.289 256 HE3 LYS 36 HE1 LYS 36 -4.327 -9.549 16.005 257 HZ1 LYS 36 HZ1 LYS 36 -6.523 -10.405 15.705 258 HZ2 LYS 36 HZ2 LYS 36 -7.000 -9.046 14.818 259 HZ3 LYS 36 HZ3 LYS 36 -6.649 -8.898 16.465 260 H VAL 37 HN VAL 37 0.634 -4.723 15.599 261 HA VAL 37 HA VAL 37 0.043 -2.350 13.966 262 HB VAL 37 HB VAL 37 0.731 -1.601 16.205 263 HG11 VAL 37 HG11 VAL 37 2.346 -3.759 16.279 264 HG12 VAL 37 HG12 VAL 37 2.533 -2.354 17.329 265 HG13 VAL 37 HG13 VAL 37 3.514 -2.503 15.871 266 HG21 VAL 37 HG21 VAL 37 1.279 -0.080 14.513 267 HG22 VAL 37 HG22 VAL 37 2.578 -1.098 13.893 268 HG23 VAL 37 HG23 VAL 37 2.773 -0.262 15.434 269 H HIS 38 HN HIS 38 0.956 -2.455 12.027 270 HA HIS 38 HA HIS 38 3.393 -4.080 11.703 271 HB2 HIS 38 HB2 HIS 38 1.330 -5.138 10.734 272 HB3 HIS 38 HB1 HIS 38 1.205 -3.764 9.640 273 HD1 HIS 38 HD1 HIS 38 2.434 -7.084 9.709 274 HD2 HIS 38 HD2 HIS 38 3.825 -3.512 8.106 275 HE1 HIS 38 HE1 HIS 38 4.099 -7.743 7.943 276 HE2 HIS 38 HE2 HIS 38 4.863 -5.567 6.929 277 H THR 39 HN THR 39 4.954 -3.328 10.269 278 HA THR 39 HA THR 39 4.546 -0.589 9.263 279 HB THR 39 HB THR 39 7.189 -1.653 10.252 280 HG1 THR 39 HG1 THR 39 5.158 -0.286 11.663 281 HG21 THR 39 HG21 THR 39 7.558 0.244 8.925 282 HG22 THR 39 HG22 THR 39 7.603 0.814 10.593 283 HG23 THR 39 HG23 THR 39 6.168 1.090 9.605 284 H VAL 40 HN VAL 40 5.192 -0.170 7.214 285 HA VAL 40 HA VAL 40 6.664 -2.275 5.778 286 HB VAL 40 HB VAL 40 5.256 -1.756 3.765 287 HG11 VAL 40 HG11 VAL 40 4.941 -3.731 5.304 288 HG12 VAL 40 HG12 VAL 40 3.531 -3.268 4.351 289 HG13 VAL 40 HG13 VAL 40 3.627 -2.828 6.056 290 HG21 VAL 40 HG21 VAL 40 4.381 0.383 5.163 291 HG22 VAL 40 HG22 VAL 40 3.065 -0.753 5.458 292 HG23 VAL 40 HG23 VAL 40 3.511 -0.329 3.805 293 H VAL 41 HN VAL 41 8.267 -1.581 4.478 294 HA VAL 41 HA VAL 41 9.054 1.164 4.601 295 HB VAL 41 HB VAL 41 10.717 -0.643 4.559 296 HG11 VAL 41 HG11 VAL 41 10.298 -1.059 1.642 297 HG12 VAL 41 HG12 VAL 41 9.255 -1.913 2.778 298 HG13 VAL 41 HG13 VAL 41 11.003 -2.136 2.847 299 HG21 VAL 41 HG21 VAL 41 12.280 0.572 3.431 300 HG22 VAL 41 HG22 VAL 41 10.981 1.765 3.476 301 HG23 VAL 41 HG23 VAL 41 11.245 0.803 2.021 302 H LEU 42 HN LEU 42 8.851 2.751 3.117 303 HA LEU 42 HA LEU 42 6.991 2.342 0.955 304 HB2 LEU 42 HB2 LEU 42 8.545 4.806 1.745 305 HB3 LEU 42 HB1 LEU 42 7.232 4.757 0.585 306 HG LEU 42 HG LEU 42 7.048 4.282 3.558 307 HD11 LEU 42 HD11 LEU 42 7.088 6.582 3.204 308 HD12 LEU 42 HD12 LEU 42 5.367 6.200 3.251 309 HD13 LEU 42 HD13 LEU 42 6.169 6.464 1.703 310 HD21 LEU 42 HD21 LEU 42 5.264 3.492 1.360 311 HD22 LEU 42 HD22 LEU 42 4.485 4.352 2.688 312 HD23 LEU 42 HD23 LEU 42 5.387 2.870 3.005 313 H SER 43 HN SER 43 10.435 2.604 1.333 314 HA SER 43 HA SER 43 11.203 3.363 -1.232 315 HB2 SER 43 HB2 SER 43 12.852 1.290 0.105 316 HB3 SER 43 HB1 SER 43 13.327 2.849 -0.569 317 HG SER 43 HG SER 43 12.183 3.767 1.304 318 H THR 44 HN THR 44 9.992 0.321 -0.054 319 HA THR 44 HA THR 44 10.866 -1.247 -2.276 320 HB THR 44 HB THR 44 10.332 -2.210 -0.051 321 HG1 THR 44 HG1 THR 44 8.817 -3.185 -2.239 322 HG21 THR 44 HG21 THR 44 8.389 -1.985 0.977 323 HG22 THR 44 HG22 THR 44 7.500 -2.499 -0.456 324 HG23 THR 44 HG23 THR 44 7.946 -0.805 -0.256 325 H ILE 45 HN ILE 45 8.090 0.744 -1.600 326 HA ILE 45 HA ILE 45 6.259 -0.272 -3.439 327 HB ILE 45 HB ILE 45 6.626 2.639 -2.722 328 HG12 ILE 45 HG12 ILE 45 6.434 1.318 -0.695 329 HG13 ILE 45 HG11 ILE 45 4.926 2.185 -0.968 330 HG21 ILE 45 HG21 ILE 45 4.221 1.119 -3.722 331 HG22 ILE 45 HG22 ILE 45 5.162 2.302 -4.630 332 HG23 ILE 45 HG23 ILE 45 4.229 2.810 -3.222 333 HD11 ILE 45 HD11 ILE 45 5.444 -0.670 -0.827 334 HD12 ILE 45 HD12 ILE 45 4.485 -0.204 -2.232 335 HD13 ILE 45 HD13 ILE 45 3.940 0.226 -0.611 336 H ASP 46 HN ASP 46 5.713 0.340 -5.560 337 HA ASP 46 HA ASP 46 7.877 1.650 -7.072 338 HB2 ASP 46 HB2 ASP 46 7.665 -0.897 -7.340 339 HB3 ASP 46 HB1 ASP 46 6.170 -0.558 -8.207 340 H LYS 47 HN LYS 47 4.438 0.739 -7.154 341 HA LYS 47 HA LYS 47 3.891 3.286 -8.514 342 HB2 LYS 47 HB2 LYS 47 3.386 2.050 -10.330 343 HB3 LYS 47 HB1 LYS 47 3.328 0.557 -9.411 344 HG2 LYS 47 HG2 LYS 47 1.192 0.868 -10.363 345 HG3 LYS 47 HG1 LYS 47 1.034 1.233 -8.645 346 HD2 LYS 47 HD2 LYS 47 0.471 3.367 -9.044 347 HD3 LYS 47 HD1 LYS 47 1.727 3.561 -10.268 348 HE2 LYS 47 HE2 LYS 47 0.337 2.563 -11.942 349 HE3 LYS 47 HE1 LYS 47 -0.871 2.109 -10.741 350 HZ1 LYS 47 HZ1 LYS 47 -0.936 4.652 -10.311 351 HZ2 LYS 47 HZ2 LYS 47 -1.772 4.005 -11.631 352 HZ3 LYS 47 HZ3 LYS 47 -0.277 4.759 -11.866 353 H LEU 48 HN LEU 48 2.105 4.394 -7.826 354 HA LEU 48 HA LEU 48 0.718 3.267 -5.489 355 HB2 LEU 48 HB2 LEU 48 1.717 5.951 -6.173 356 HB3 LEU 48 HB1 LEU 48 0.124 5.927 -5.441 357 HG LEU 48 HG LEU 48 2.259 4.349 -4.104 358 HD11 LEU 48 HD11 LEU 48 2.085 7.252 -3.474 359 HD12 LEU 48 HD12 LEU 48 3.081 6.736 -4.835 360 HD13 LEU 48 HD13 LEU 48 3.409 6.116 -3.217 361 HD21 LEU 48 HD21 LEU 48 -0.044 6.061 -3.181 362 HD22 LEU 48 HD22 LEU 48 1.075 5.225 -2.104 363 HD23 LEU 48 HD23 LEU 48 0.038 4.299 -3.190 364 H GLN 49 HN GLN 49 -1.362 2.771 -5.677 365 HA GLN 49 HA GLN 49 -2.924 4.060 -7.819 366 HB2 GLN 49 HB2 GLN 49 -2.262 1.569 -8.109 367 HB3 GLN 49 HB1 GLN 49 -3.476 1.263 -6.875 368 HG2 GLN 49 HG2 GLN 49 -4.328 0.980 -9.164 369 HG3 GLN 49 HG1 GLN 49 -5.195 2.215 -8.253 370 HE21 GLN 49 HE21 GLN 49 -5.639 3.959 -9.373 371 HE22 GLN 49 HE22 GLN 49 -4.707 4.608 -10.675 372 H ALA 50 HN ALA 50 -5.226 4.204 -7.434 373 HA ALA 50 HA ALA 50 -6.198 3.761 -4.744 374 HB1 ALA 50 HB1 ALA 50 -4.997 5.982 -4.709 375 HB2 ALA 50 HB2 ALA 50 -6.683 6.010 -4.192 376 HB3 ALA 50 HB3 ALA 50 -6.245 6.576 -5.804 377 H THR 51 HN THR 51 -8.528 4.468 -4.553 378 HA THR 51 HA THR 51 -9.938 3.581 -6.914 379 HB THR 51 HB THR 51 -11.846 3.387 -5.537 380 HG1 THR 51 HG1 THR 51 -10.552 5.274 -3.891 381 HG21 THR 51 HG21 THR 51 -9.653 2.955 -3.539 382 HG22 THR 51 HG22 THR 51 -9.944 1.864 -4.894 383 HG23 THR 51 HG23 THR 51 -11.196 2.112 -3.676 384 HA PRO 52 HA PRO 52 -11.130 7.511 -8.511 385 HB2 PRO 52 HB2 PRO 52 -13.647 7.009 -9.415 386 HB3 PRO 52 HB1 PRO 52 -12.193 6.417 -10.227 387 HG2 PRO 52 HG2 PRO 52 -14.032 4.982 -8.350 388 HG3 PRO 52 HG1 PRO 52 -13.301 4.406 -9.860 389 HD2 PRO 52 HD2 PRO 52 -12.319 3.740 -7.433 390 HD3 PRO 52 HD1 PRO 52 -11.274 3.952 -8.852 391 H ALA 53 HN ALA 53 -12.594 9.310 -8.239 392 HA ALA 53 HA ALA 53 -13.533 9.541 -5.533 393 HB1 ALA 53 HB1 ALA 53 -12.481 11.319 -7.260 394 HB2 ALA 53 HB2 ALA 53 -13.451 11.772 -5.858 395 HB3 ALA 53 HB3 ALA 53 -14.198 11.677 -7.453 396 H SER 54 HN SER 54 -14.959 8.974 -8.657 397 HA SER 54 HA SER 54 -17.616 9.710 -8.033 398 HB2 SER 54 HB2 SER 54 -16.351 7.988 -10.139 399 HB3 SER 54 HB1 SER 54 -18.105 8.012 -9.962 400 HG SER 54 HG SER 54 -16.571 10.376 -10.206 401 H SER 55 HN SER 55 -15.746 6.811 -7.488 402 HA SER 55 HA SER 55 -18.008 5.182 -6.791 403 HB2 SER 55 HB2 SER 55 -15.024 4.817 -6.585 404 HB3 SER 55 HB1 SER 55 -16.146 3.647 -5.889 405 HG SER 55 HG SER 55 -16.300 4.486 -8.587 406 H GLU 56 HN GLU 56 -18.377 4.275 -4.671 407 HA GLU 56 HA GLU 56 -17.874 6.248 -2.566 408 HB2 GLU 56 HB2 GLU 56 -19.883 4.012 -2.829 409 HB3 GLU 56 HB1 GLU 56 -19.654 4.915 -1.337 410 HG2 GLU 56 HG2 GLU 56 -20.286 6.969 -2.443 411 HG3 GLU 56 HG1 GLU 56 -20.425 6.124 -3.983 412 H LYS 57 HN LYS 57 -15.848 4.313 -3.464 413 HA LYS 57 HA LYS 57 -15.392 2.994 -0.874 414 HB2 LYS 57 HB2 LYS 57 -14.551 1.786 -3.504 415 HB3 LYS 57 HB1 LYS 57 -14.554 1.029 -1.917 416 HG2 LYS 57 HG2 LYS 57 -17.035 1.184 -1.916 417 HG3 LYS 57 HG1 LYS 57 -16.951 1.775 -3.576 418 HD2 LYS 57 HD2 LYS 57 -15.474 -0.718 -3.009 419 HD3 LYS 57 HD1 LYS 57 -17.234 -0.824 -2.928 420 HE2 LYS 57 HE2 LYS 57 -16.949 0.565 -5.217 421 HE3 LYS 57 HE1 LYS 57 -15.459 -0.376 -5.244 422 HZ1 LYS 57 HZ1 LYS 57 -18.076 -1.656 -4.750 423 HZ2 LYS 57 HZ2 LYS 57 -16.634 -2.370 -5.271 424 HZ3 LYS 57 HZ3 LYS 57 -17.515 -1.382 -6.323 425 H MET 58 HN MET 58 -14.144 4.933 -0.433 426 HA MET 58 HA MET 58 -11.859 5.599 -2.001 427 HB2 MET 58 HB2 MET 58 -12.424 6.305 0.884 428 HB3 MET 58 HB1 MET 58 -11.284 7.109 -0.187 429 HG2 MET 58 HG2 MET 58 -12.954 8.559 -0.492 430 HG3 MET 58 HG1 MET 58 -13.561 7.346 -1.617 431 HE1 MET 58 HE1 MET 58 -13.181 8.037 1.993 432 HE2 MET 58 HE2 MET 58 -14.606 7.347 2.768 433 HE3 MET 58 HE3 MET 58 -14.652 8.996 2.147 434 H MET 59 HN MET 59 -10.132 4.345 -2.186 435 HA MET 59 HA MET 59 -8.860 3.291 0.202 436 HB2 MET 59 HB2 MET 59 -9.711 1.503 -2.083 437 HB3 MET 59 HB1 MET 59 -8.632 1.021 -0.781 438 HG2 MET 59 HG2 MET 59 -10.658 1.821 0.711 439 HG3 MET 59 HG1 MET 59 -11.564 1.461 -0.757 440 HE1 MET 59 HE1 MET 59 -12.301 -0.436 -1.490 441 HE2 MET 59 HE2 MET 59 -12.958 -1.043 0.030 442 HE3 MET 59 HE3 MET 59 -11.959 -2.089 -0.979 443 H LEU 60 HN LEU 60 -6.699 2.323 -0.326 444 HA LEU 60 HA LEU 60 -5.546 3.262 -2.838 445 HB2 LEU 60 HB2 LEU 60 -5.269 4.686 -0.420 446 HB3 LEU 60 HB1 LEU 60 -3.732 3.891 -0.697 447 HG LEU 60 HG LEU 60 -4.192 4.936 -3.158 448 HD11 LEU 60 HD11 LEU 60 -6.265 6.031 -2.179 449 HD12 LEU 60 HD12 LEU 60 -5.141 7.081 -3.041 450 HD13 LEU 60 HD13 LEU 60 -5.160 7.067 -1.278 451 HD21 LEU 60 HD21 LEU 60 -2.398 6.296 -2.717 452 HD22 LEU 60 HD22 LEU 60 -2.247 5.123 -1.409 453 HD23 LEU 60 HD23 LEU 60 -2.964 6.704 -1.098 454 H ARG 61 HN ARG 61 -4.001 1.926 -3.612 455 HA ARG 61 HA ARG 61 -2.945 -0.134 -1.800 456 HB2 ARG 61 HB2 ARG 61 -3.093 -1.776 -3.566 457 HB3 ARG 61 HB1 ARG 61 -4.676 -1.053 -3.320 458 HG2 ARG 61 HG2 ARG 61 -4.636 0.054 -5.334 459 HG3 ARG 61 HG1 ARG 61 -2.873 0.055 -5.420 460 HD2 ARG 61 HD2 ARG 61 -2.938 -2.399 -5.764 461 HD3 ARG 61 HD1 ARG 61 -4.699 -2.315 -5.800 462 HE ARG 61 HE ARG 61 -3.469 -0.560 -7.696 463 HH11 ARG 61 HH11 ARG 61 -4.475 -3.853 -7.131 464 HH12 ARG 61 HH12 ARG 61 -4.650 -4.220 -8.814 465 HH21 ARG 61 HH21 ARG 61 -3.699 -1.041 -9.911 466 HH22 ARG 61 HH22 ARG 61 -4.209 -2.624 -10.393 467 H LEU 62 HN LEU 62 -0.862 -0.924 -2.277 468 HA LEU 62 HA LEU 62 0.746 0.903 -3.937 469 HB2 LEU 62 HB2 LEU 62 1.711 -0.699 -1.573 470 HB3 LEU 62 HB1 LEU 62 2.591 0.544 -2.442 471 HG LEU 62 HG LEU 62 0.038 1.181 -0.995 472 HD11 LEU 62 HD11 LEU 62 2.009 0.058 0.382 473 HD12 LEU 62 HD12 LEU 62 1.057 1.397 1.023 474 HD13 LEU 62 HD13 LEU 62 2.644 1.703 0.317 475 HD21 LEU 62 HD21 LEU 62 1.237 2.703 -2.715 476 HD22 LEU 62 HD22 LEU 62 2.397 2.971 -1.413 477 HD23 LEU 62 HD23 LEU 62 0.700 3.391 -1.182 478 H ILE 63 HN ILE 63 2.259 0.072 -5.327 479 HA ILE 63 HA ILE 63 2.205 -2.855 -5.684 480 HB ILE 63 HB ILE 63 2.985 -1.046 -7.928 481 HG12 ILE 63 HG12 ILE 63 0.878 -0.082 -7.114 482 HG13 ILE 63 HG11 ILE 63 0.646 -0.882 -8.665 483 HG21 ILE 63 HG21 ILE 63 1.657 -2.949 -9.115 484 HG22 ILE 63 HG22 ILE 63 1.889 -3.800 -7.587 485 HG23 ILE 63 HG23 ILE 63 3.287 -3.251 -8.512 486 HD11 ILE 63 HD11 ILE 63 -0.507 -2.666 -7.695 487 HD12 ILE 63 HD12 ILE 63 -1.125 -1.231 -6.877 488 HD13 ILE 63 HD13 ILE 63 0.058 -2.264 -6.073 489 H GLY 64 HN GLY 64 4.012 -3.499 -4.615 490 HA2 GLY 64 HA2 GLY 64 6.434 -2.084 -4.473 491 HA3 GLY 64 HA1 GLY 64 6.241 -3.802 -4.164 492 H LYS 65 HN LYS 65 8.554 -2.978 -5.272 493 HA LYS 65 HA LYS 65 8.400 -3.203 -8.158 494 HB2 LYS 65 HB2 LYS 65 10.914 -3.197 -6.498 495 HB3 LYS 65 HB1 LYS 65 10.723 -2.726 -8.181 496 HG2 LYS 65 HG2 LYS 65 9.697 -0.705 -7.623 497 HG3 LYS 65 HG1 LYS 65 9.347 -1.236 -5.976 498 HD2 LYS 65 HD2 LYS 65 11.169 -0.011 -5.465 499 HD3 LYS 65 HD1 LYS 65 12.043 -1.446 -6.006 500 HE2 LYS 65 HE2 LYS 65 12.539 -0.509 -8.082 501 HE3 LYS 65 HE1 LYS 65 11.268 0.705 -7.942 502 HZ1 LYS 65 HZ1 LYS 65 12.553 2.039 -6.649 503 HZ2 LYS 65 HZ2 LYS 65 13.780 1.298 -7.547 504 HZ3 LYS 65 HZ3 LYS 65 13.438 0.761 -5.980 505 H VAL 66 HN VAL 66 10.617 -4.652 -8.812 506 HA VAL 66 HA VAL 66 9.851 -7.363 -7.958 507 HB VAL 66 HB VAL 66 10.921 -8.124 -10.078 508 HG11 VAL 66 HG11 VAL 66 8.776 -6.094 -10.638 509 HG12 VAL 66 HG12 VAL 66 8.455 -7.604 -9.785 510 HG13 VAL 66 HG13 VAL 66 9.061 -7.638 -11.441 511 HG21 VAL 66 HG21 VAL 66 10.851 -5.287 -11.024 512 HG22 VAL 66 HG22 VAL 66 11.713 -6.670 -11.698 513 HG23 VAL 66 HG23 VAL 66 12.282 -5.917 -10.208 514 H ASP 67 HN ASP 67 11.427 -8.871 -7.417 515 HA ASP 67 HA ASP 67 14.178 -7.865 -7.157 516 HB2 ASP 67 HB2 ASP 67 12.541 -9.260 -5.035 517 HB3 ASP 67 HB1 ASP 67 14.291 -9.080 -4.946 518 H GLU 68 HN GLU 68 15.247 -9.095 -8.581 519 HA GLU 68 HA GLU 68 14.953 -12.015 -8.346 520 HB2 GLU 68 HB2 GLU 68 15.534 -12.063 -10.835 521 HB3 GLU 68 HB1 GLU 68 13.909 -11.552 -10.402 522 HG2 GLU 68 HG2 GLU 68 14.203 -9.489 -11.217 523 HG3 GLU 68 HG1 GLU 68 15.853 -9.372 -10.605 524 H SER 69 HN SER 69 16.763 -12.562 -7.280 525 HA SER 69 HA SER 69 19.278 -12.367 -8.602 526 HB2 SER 69 HB2 SER 69 19.458 -10.165 -7.760 527 HB3 SER 69 HB1 SER 69 18.765 -10.616 -6.202 528 HG SER 69 HG SER 69 21.337 -10.633 -6.976 529 H LYS 70 HN LYS 70 18.503 -12.408 -5.132 530 HA LYS 70 HA LYS 70 20.146 -14.601 -4.550 531 HB2 LYS 70 HB2 LYS 70 17.720 -13.664 -3.009 532 HB3 LYS 70 HB1 LYS 70 19.035 -14.650 -2.382 533 HG2 LYS 70 HG2 LYS 70 19.834 -12.076 -3.561 534 HG3 LYS 70 HG1 LYS 70 18.872 -11.981 -2.085 535 HD2 LYS 70 HD2 LYS 70 20.458 -13.444 -0.945 536 HD3 LYS 70 HD1 LYS 70 21.410 -13.578 -2.425 537 HE2 LYS 70 HE2 LYS 70 22.375 -11.958 -0.854 538 HE3 LYS 70 HE1 LYS 70 21.881 -11.198 -2.367 539 HZ1 LYS 70 HZ1 LYS 70 20.241 -10.037 -1.357 540 HZ2 LYS 70 HZ2 LYS 70 21.258 -10.199 -0.015 541 HZ3 LYS 70 HZ3 LYS 70 19.931 -11.230 -0.198 542 H LYS 71 HN LYS 71 16.670 -14.413 -5.198 543 HA LYS 71 HA LYS 71 15.151 -15.983 -5.827 544 HB2 LYS 71 HB2 LYS 71 17.418 -16.652 -7.190 545 HB3 LYS 71 HB1 LYS 71 17.095 -18.141 -6.312 546 HG2 LYS 71 HG2 LYS 71 15.800 -18.623 -8.071 547 HG3 LYS 71 HG1 LYS 71 14.629 -17.572 -7.272 548 HD2 LYS 71 HD2 LYS 71 15.228 -15.722 -8.632 549 HD3 LYS 71 HD1 LYS 71 16.657 -16.553 -9.250 550 HE2 LYS 71 HE2 LYS 71 14.106 -17.944 -9.699 551 HE3 LYS 71 HE1 LYS 71 14.280 -16.408 -10.547 552 HZ1 LYS 71 HZ1 LYS 71 16.509 -17.307 -11.301 553 HZ2 LYS 71 HZ2 LYS 71 15.136 -18.015 -11.991 554 HZ3 LYS 71 HZ3 LYS 71 15.977 -18.821 -10.764 555 H ARG 72 HN ARG 72 14.251 -18.137 -5.226 556 HA ARG 72 HA ARG 72 15.309 -19.722 -3.175 557 HB2 ARG 72 HB2 ARG 72 14.045 -17.253 -2.294 558 HB3 ARG 72 HB1 ARG 72 13.259 -18.670 -1.612 559 HG2 ARG 72 HG2 ARG 72 15.825 -19.327 -1.181 560 HG3 ARG 72 HG1 ARG 72 15.945 -17.568 -1.117 561 HD2 ARG 72 HD2 ARG 72 14.651 -17.409 0.758 562 HD3 ARG 72 HD1 ARG 72 13.730 -18.864 0.377 563 HE ARG 72 HE ARG 72 15.999 -18.708 2.042 564 HH11 ARG 72 HH11 ARG 72 14.580 -20.738 -0.417 565 HH12 ARG 72 HH12 ARG 72 15.319 -22.187 0.176 566 HH21 ARG 72 HH21 ARG 72 16.973 -20.613 2.823 567 HH22 ARG 72 HH22 ARG 72 16.677 -22.117 2.016 568 H LYS 73 HN LYS 73 13.132 -20.633 -1.849 569 HA LYS 73 HA LYS 73 10.967 -21.068 -3.735 570 HB2 LYS 73 HB2 LYS 73 12.993 -22.807 -3.937 571 HB3 LYS 73 HB1 LYS 73 12.127 -23.562 -2.606 572 HG2 LYS 73 HG2 LYS 73 10.065 -23.475 -4.056 573 HG3 LYS 73 HG1 LYS 73 11.132 -23.020 -5.387 574 HD2 LYS 73 HD2 LYS 73 11.512 -25.502 -3.721 575 HD3 LYS 73 HD1 LYS 73 10.599 -25.472 -5.231 576 HE2 LYS 73 HE2 LYS 73 12.669 -26.111 -5.990 577 HE3 LYS 73 HE1 LYS 73 12.775 -24.361 -6.171 578 HZ1 LYS 73 HZ1 LYS 73 14.302 -24.197 -4.544 579 HZ2 LYS 73 HZ2 LYS 73 14.610 -25.816 -4.924 580 HZ3 LYS 73 HZ3 LYS 73 13.623 -25.431 -3.606 581 H ASP 74 HN ASP 74 9.194 -20.771 -2.576 582 HA ASP 74 HA ASP 74 9.056 -20.685 0.201 583 HB2 ASP 74 HB2 ASP 74 7.368 -19.988 -1.789 584 HB3 ASP 74 HB1 ASP 74 6.574 -21.454 -1.222 585 H ASN 75 HN ASN 75 7.436 -23.158 -1.796 586 HA ASN 75 HA ASN 75 7.857 -25.064 0.408 587 HB2 ASN 75 HB2 ASN 75 5.605 -24.600 -1.473 588 HB3 ASN 75 HB1 ASN 75 5.944 -26.273 -1.039 589 HD21 ASN 75 HD21 ASN 75 6.506 -26.369 1.473 590 HD22 ASN 75 HD22 ASN 75 5.285 -25.663 2.470 591 H GLU 76 HN GLU 76 7.054 -25.565 -3.013 592 HA GLU 76 HA GLU 76 9.566 -26.485 -3.846 593 HB2 GLU 76 HB2 GLU 76 8.712 -28.273 -2.102 594 HB3 GLU 76 HB1 GLU 76 7.761 -28.838 -3.469 595 HG2 GLU 76 HG2 GLU 76 9.540 -29.708 -4.513 596 HG3 GLU 76 HG1 GLU 76 10.591 -28.366 -4.063 597 H GLY 77 HN GLY 77 9.530 -27.403 -5.996 598 HA2 GLY 77 HA2 GLY 77 8.694 -27.673 -8.123 599 HA3 GLY 77 HA1 GLY 77 7.088 -27.776 -7.417 600 H ASN 78 HN ASN 78 9.131 -25.018 -6.830 601 HA ASN 78 HA ASN 78 8.344 -23.391 -8.971 602 HB2 ASN 78 HB2 ASN 78 6.668 -21.959 -7.875 603 HB3 ASN 78 HB1 ASN 78 6.091 -23.614 -8.045 604 HD21 ASN 78 HD21 ASN 78 6.128 -21.089 -6.025 605 HD22 ASN 78 HD22 ASN 78 6.010 -21.902 -4.505 606 H GLU 79 HN GLU 79 10.239 -22.348 -8.975 607 HA GLU 79 HA GLU 79 11.385 -21.373 -6.481 608 HB2 GLU 79 HB2 GLU 79 12.513 -21.101 -9.269 609 HB3 GLU 79 HB1 GLU 79 13.374 -20.922 -7.746 610 HG2 GLU 79 HG2 GLU 79 13.697 -23.122 -7.525 611 HG3 GLU 79 HG1 GLU 79 12.074 -23.518 -8.087 612 H VAL 80 HN VAL 80 9.108 -20.051 -6.827 613 HA VAL 80 HA VAL 80 9.399 -17.652 -8.368 614 HB VAL 80 HB VAL 80 7.183 -18.575 -7.936 615 HG11 VAL 80 HG11 VAL 80 7.054 -17.667 -5.146 616 HG12 VAL 80 HG12 VAL 80 8.055 -19.093 -5.424 617 HG13 VAL 80 HG13 VAL 80 6.360 -19.097 -5.911 618 HG21 VAL 80 HG21 VAL 80 7.330 -16.204 -8.381 619 HG22 VAL 80 HG22 VAL 80 7.624 -15.872 -6.674 620 HG23 VAL 80 HG23 VAL 80 6.062 -16.505 -7.193 621 H VAL 81 HN VAL 81 9.883 -15.606 -7.687 622 HA VAL 81 HA VAL 81 10.358 -15.030 -4.903 623 HB VAL 81 HB VAL 81 12.600 -15.387 -6.846 624 HG11 VAL 81 HG11 VAL 81 12.897 -13.087 -6.229 625 HG12 VAL 81 HG12 VAL 81 14.064 -14.051 -5.324 626 HG13 VAL 81 HG13 VAL 81 12.607 -13.456 -4.529 627 HG21 VAL 81 HG21 VAL 81 13.630 -16.124 -4.554 628 HG22 VAL 81 HG22 VAL 81 12.522 -17.183 -5.426 629 HG23 VAL 81 HG23 VAL 81 11.938 -16.223 -4.067 630 HA PRO 82 HA PRO 82 10.949 -10.930 -7.352 631 HB2 PRO 82 HB2 PRO 82 11.035 -11.015 -10.062 632 HB3 PRO 82 HB1 PRO 82 12.478 -11.178 -9.054 633 HG2 PRO 82 HG2 PRO 82 10.826 -13.316 -10.350 634 HG3 PRO 82 HG1 PRO 82 12.592 -13.152 -10.292 635 HD2 PRO 82 HD2 PRO 82 11.264 -14.811 -8.642 636 HD3 PRO 82 HD1 PRO 82 12.720 -13.940 -8.122 637 H LYS 83 HN LYS 83 8.623 -11.756 -6.529 638 HA LYS 83 HA LYS 83 6.671 -11.577 -8.696 639 HB2 LYS 83 HB2 LYS 83 5.021 -12.247 -7.039 640 HB3 LYS 83 HB1 LYS 83 6.386 -13.354 -7.015 641 HG2 LYS 83 HG2 LYS 83 6.705 -11.156 -5.143 642 HG3 LYS 83 HG1 LYS 83 5.253 -12.111 -4.837 643 HD2 LYS 83 HD2 LYS 83 6.431 -13.956 -4.246 644 HD3 LYS 83 HD1 LYS 83 7.723 -13.631 -5.403 645 HE2 LYS 83 HE2 LYS 83 8.562 -11.846 -3.932 646 HE3 LYS 83 HE1 LYS 83 7.293 -12.225 -2.769 647 HZ1 LYS 83 HZ1 LYS 83 8.367 -14.054 -2.062 648 HZ2 LYS 83 HZ2 LYS 83 9.735 -13.267 -2.671 649 HZ3 LYS 83 HZ3 LYS 83 8.961 -14.454 -3.595 650 HA PRO 84 HA PRO 84 5.853 -7.311 -7.844 651 HB2 PRO 84 HB2 PRO 84 3.408 -7.069 -8.964 652 HB3 PRO 84 HB1 PRO 84 4.875 -7.269 -9.930 653 HG2 PRO 84 HG2 PRO 84 2.832 -9.311 -9.143 654 HG3 PRO 84 HG1 PRO 84 3.621 -9.065 -10.713 655 HD2 PRO 84 HD2 PRO 84 4.399 -10.981 -8.946 656 HD3 PRO 84 HD1 PRO 84 5.520 -10.194 -10.075 657 H GLN 85 HN GLN 85 5.408 -6.571 -5.869 658 HA GLN 85 HA GLN 85 3.467 -7.804 -4.163 659 HB2 GLN 85 HB2 GLN 85 5.452 -5.613 -3.933 660 HB3 GLN 85 HB1 GLN 85 4.077 -5.540 -2.841 661 HG2 GLN 85 HG2 GLN 85 4.640 -7.546 -1.801 662 HG3 GLN 85 HG1 GLN 85 5.700 -8.038 -3.121 663 HE21 GLN 85 HE21 GLN 85 5.642 -6.908 -0.047 664 HE22 GLN 85 HE22 GLN 85 7.212 -6.190 0.033 665 H ARG 86 HN ARG 86 1.530 -6.956 -3.400 666 HA ARG 86 HA ARG 86 0.535 -4.456 -4.488 667 HB2 ARG 86 HB2 ARG 86 0.054 -6.588 -6.022 668 HB3 ARG 86 HB1 ARG 86 -1.277 -6.781 -4.890 669 HG2 ARG 86 HG2 ARG 86 -2.308 -4.831 -5.559 670 HG3 ARG 86 HG1 ARG 86 -0.815 -4.139 -6.196 671 HD2 ARG 86 HD2 ARG 86 -1.732 -6.627 -7.483 672 HD3 ARG 86 HD1 ARG 86 -2.756 -5.213 -7.732 673 HE ARG 86 HE ARG 86 -0.052 -4.547 -8.201 674 HH11 ARG 86 HH11 ARG 86 -2.703 -6.317 -9.621 675 HH12 ARG 86 HH12 ARG 86 -2.141 -6.103 -11.245 676 HH21 ARG 86 HH21 ARG 86 0.689 -4.264 -10.336 677 HH22 ARG 86 HH22 ARG 86 -0.215 -4.938 -11.651 678 H HIS 87 HN HIS 87 0.295 -3.672 -2.421 679 HA HIS 87 HA HIS 87 -1.512 -5.158 -0.636 680 HB2 HIS 87 HB2 HIS 87 0.552 -3.033 -0.031 681 HB3 HIS 87 HB1 HIS 87 -0.576 -3.672 1.160 682 HD1 HIS 87 HD1 HIS 87 -0.401 -6.657 0.599 683 HD2 HIS 87 HD2 HIS 87 2.910 -4.148 0.711 684 HE1 HIS 87 HE1 HIS 87 1.559 -8.152 1.094 685 HE2 HIS 87 HE2 HIS 87 3.539 -6.601 1.241 686 H MET 88 HN MET 88 -3.537 -4.461 -0.614 687 HA MET 88 HA MET 88 -4.102 -1.685 -1.357 688 HB2 MET 88 HB2 MET 88 -6.380 -2.399 -1.747 689 HB3 MET 88 HB1 MET 88 -5.281 -3.489 -2.580 690 HG2 MET 88 HG2 MET 88 -6.717 -4.992 -1.663 691 HG3 MET 88 HG1 MET 88 -5.516 -4.895 -0.377 692 HE1 MET 88 HE1 MET 88 -8.762 -4.507 -1.704 693 HE2 MET 88 HE2 MET 88 -9.675 -3.353 -0.733 694 HE3 MET 88 HE3 MET 88 -9.572 -5.041 -0.232 695 H PHE 89 HN PHE 89 -4.975 -0.241 0.015 696 HA PHE 89 HA PHE 89 -5.641 -1.179 2.730 697 HB2 PHE 89 HB2 PHE 89 -4.267 1.370 1.866 698 HB3 PHE 89 HB1 PHE 89 -4.884 1.102 3.492 699 HD1 PHE 89 HD1 PHE 89 -2.339 0.133 1.042 700 HD2 PHE 89 HD2 PHE 89 -3.768 -0.376 5.018 701 HE1 PHE 89 HE1 PHE 89 -0.223 -0.962 1.659 702 HE2 PHE 89 HE2 PHE 89 -1.655 -1.470 5.642 703 HZ PHE 89 HZ PHE 89 0.121 -1.764 3.962 704 H SER 90 HN SER 90 -7.409 -0.259 3.760 705 HA SER 90 HA SER 90 -9.322 1.024 1.963 706 HB2 SER 90 HB2 SER 90 -10.183 0.355 4.706 707 HB3 SER 90 HB1 SER 90 -10.963 0.014 3.162 708 HG SER 90 HG SER 90 -9.050 -1.469 4.564 709 H PHE 91 HN PHE 91 -10.299 2.982 2.377 710 HA PHE 91 HA PHE 91 -9.222 4.540 4.631 711 HB2 PHE 91 HB2 PHE 91 -9.264 5.188 1.727 712 HB3 PHE 91 HB1 PHE 91 -9.595 6.501 2.851 713 HD1 PHE 91 HD1 PHE 91 -7.150 3.729 2.356 714 HD2 PHE 91 HD2 PHE 91 -7.823 7.734 3.626 715 HE1 PHE 91 HE1 PHE 91 -4.734 4.013 2.727 716 HE2 PHE 91 HE2 PHE 91 -5.409 8.026 3.999 717 HZ PHE 91 HZ PHE 91 -3.860 6.164 3.549 718 H ASN 92 HN ASN 92 -10.566 6.604 4.952 719 HA ASN 92 HA ASN 92 -13.389 6.220 4.305 720 HB2 ASN 92 HB2 ASN 92 -12.236 6.298 7.084 721 HB3 ASN 92 HB1 ASN 92 -13.898 6.789 6.770 722 HD21 ASN 92 HD21 ASN 92 -15.191 5.230 7.410 723 HD22 ASN 92 HD22 ASN 92 -14.990 3.544 7.090 724 H ASN 93 HN ASN 93 -11.334 8.118 3.475 725 HA ASN 93 HA ASN 93 -12.844 10.514 3.776 726 HB2 ASN 93 HB2 ASN 93 -10.435 10.101 5.467 727 HB3 ASN 93 HB1 ASN 93 -10.616 11.679 4.707 728 HD21 ASN 93 HD21 ASN 93 -10.708 11.026 7.509 729 HD22 ASN 93 HD22 ASN 93 -12.262 11.513 8.083 730 H ARG 94 HN ARG 94 -12.361 11.996 2.202 731 HA ARG 94 HA ARG 94 -10.624 11.081 0.088 732 HB2 ARG 94 HB2 ARG 94 -12.135 13.689 0.186 733 HB3 ARG 94 HB1 ARG 94 -11.567 12.826 -1.236 734 HG2 ARG 94 HG2 ARG 94 -13.173 10.953 -0.166 735 HG3 ARG 94 HG1 ARG 94 -13.985 12.417 0.390 736 HD2 ARG 94 HD2 ARG 94 -13.187 12.607 -2.391 737 HD3 ARG 94 HD1 ARG 94 -14.236 11.220 -2.101 738 HE ARG 94 HE ARG 94 -15.979 12.654 -1.695 739 HH11 ARG 94 HH11 ARG 94 -12.991 14.459 -1.701 740 HH12 ARG 94 HH12 ARG 94 -13.778 16.001 -1.663 741 HH21 ARG 94 HH21 ARG 94 -17.014 14.681 -1.645 742 HH22 ARG 94 HH22 ARG 94 -16.061 16.128 -1.631 743 H THR 95 HN THR 95 -10.822 13.968 2.158 744 HA THR 95 HA THR 95 -8.529 15.249 1.190 745 HB THR 95 HB THR 95 -9.702 15.371 3.976 746 HG1 THR 95 HG1 THR 95 -11.298 16.222 2.917 747 HG21 THR 95 HG21 THR 95 -7.382 16.587 3.006 748 HG22 THR 95 HG22 THR 95 -8.256 16.957 4.492 749 HG23 THR 95 HG23 THR 95 -8.623 17.839 3.010 750 H VAL 96 HN VAL 96 -8.938 12.709 3.564 751 HA VAL 96 HA VAL 96 -6.219 12.845 4.506 752 HB VAL 96 HB VAL 96 -8.180 10.584 4.897 753 HG11 VAL 96 HG11 VAL 96 -6.237 9.720 5.695 754 HG12 VAL 96 HG12 VAL 96 -6.730 10.621 7.129 755 HG13 VAL 96 HG13 VAL 96 -5.537 11.305 6.024 756 HG21 VAL 96 HG21 VAL 96 -8.854 11.658 6.965 757 HG22 VAL 96 HG22 VAL 96 -9.165 12.729 5.598 758 HG23 VAL 96 HG23 VAL 96 -7.771 13.012 6.640 759 H MET 97 HN MET 97 -8.080 10.791 2.310 760 HA MET 97 HA MET 97 -6.102 8.867 1.812 761 HB2 MET 97 HB2 MET 97 -8.484 8.623 1.184 762 HB3 MET 97 HB1 MET 97 -8.262 9.840 -0.066 763 HG2 MET 97 HG2 MET 97 -6.651 8.400 -1.193 764 HG3 MET 97 HG1 MET 97 -6.857 7.182 0.065 765 HE1 MET 97 HE1 MET 97 -9.547 8.580 -3.208 766 HE2 MET 97 HE2 MET 97 -8.299 7.447 -3.729 767 HE3 MET 97 HE3 MET 97 -7.850 8.918 -2.866 768 H ASP 98 HN ASP 98 -6.593 12.078 0.537 769 HA ASP 98 HA ASP 98 -4.787 11.791 -1.665 770 HB2 ASP 98 HB2 ASP 98 -6.725 13.578 -1.107 771 HB3 ASP 98 HB1 ASP 98 -5.321 14.493 -0.566 772 H ASN 99 HN ASN 99 -4.556 13.019 1.633 773 HA ASN 99 HA ASN 99 -1.999 14.159 1.456 774 HB2 ASN 99 HB2 ASN 99 -3.842 14.131 3.382 775 HB3 ASN 99 HB1 ASN 99 -2.820 12.835 3.995 776 HD21 ASN 99 HD21 ASN 99 -2.334 16.012 2.482 777 HD22 ASN 99 HD22 ASN 99 -1.183 16.575 3.641 778 H ILE 100 HN ILE 100 -3.038 10.867 2.225 779 HA ILE 100 HA ILE 100 -0.450 9.885 2.853 780 HB ILE 100 HB ILE 100 -2.820 8.294 1.868 781 HG12 ILE 100 HG12 ILE 100 -3.390 9.717 3.815 782 HG13 ILE 100 HG11 ILE 100 -3.426 8.000 4.207 783 HG21 ILE 100 HG21 ILE 100 -0.902 6.928 1.799 784 HG22 ILE 100 HG22 ILE 100 -1.722 6.518 3.306 785 HG23 ILE 100 HG23 ILE 100 -0.300 7.561 3.331 786 HD11 ILE 100 HD11 ILE 100 -1.902 8.255 5.793 787 HD12 ILE 100 HD12 ILE 100 -2.106 9.995 5.591 788 HD13 ILE 100 HD13 ILE 100 -0.828 9.150 4.718 789 H LYS 101 HN LYS 101 -2.478 9.516 -0.058 790 HA LYS 101 HA LYS 101 -0.638 8.104 -1.603 791 HB2 LYS 101 HB2 LYS 101 -3.013 8.375 -2.197 792 HB3 LYS 101 HB1 LYS 101 -2.729 10.076 -2.544 793 HG2 LYS 101 HG2 LYS 101 -0.878 8.956 -4.143 794 HG3 LYS 101 HG1 LYS 101 -2.102 7.684 -4.139 795 HD2 LYS 101 HD2 LYS 101 -2.988 10.495 -4.547 796 HD3 LYS 101 HD1 LYS 101 -2.175 9.673 -5.880 797 HE2 LYS 101 HE2 LYS 101 -3.880 8.200 -6.194 798 HE3 LYS 101 HE1 LYS 101 -4.331 8.192 -4.490 799 HZ1 LYS 101 HZ1 LYS 101 -5.058 10.144 -6.580 800 HZ2 LYS 101 HZ2 LYS 101 -5.120 10.568 -4.944 801 HZ3 LYS 101 HZ3 LYS 101 -6.070 9.294 -5.522 802 H MET 102 HN MET 102 -1.204 11.612 -1.433 803 HA MET 102 HA MET 102 0.718 12.369 -3.322 804 HB2 MET 102 HB2 MET 102 -1.011 13.893 -2.483 805 HB3 MET 102 HB1 MET 102 -0.254 13.890 -0.896 806 HG2 MET 102 HG2 MET 102 1.358 15.330 -1.511 807 HG3 MET 102 HG1 MET 102 1.491 14.658 -3.135 808 HE1 MET 102 HE1 MET 102 -1.528 17.824 -1.728 809 HE2 MET 102 HE2 MET 102 -0.435 16.881 -0.715 810 HE3 MET 102 HE3 MET 102 -1.876 16.127 -1.397 811 H THR 103 HN THR 103 0.971 11.956 0.190 812 HA THR 103 HA THR 103 3.694 12.758 0.346 813 HB THR 103 HB THR 103 2.088 11.056 2.262 814 HG1 THR 103 HG1 THR 103 1.082 12.850 2.604 815 HG21 THR 103 HG21 THR 103 3.623 11.552 3.940 816 HG22 THR 103 HG22 THR 103 4.407 12.806 2.979 817 HG23 THR 103 HG23 THR 103 4.618 11.108 2.553 818 H LEU 104 HN LEU 104 2.095 9.760 -0.381 819 HA LEU 104 HA LEU 104 4.471 8.158 0.018 820 HB2 LEU 104 HB2 LEU 104 1.638 7.682 -0.530 821 HB3 LEU 104 HB1 LEU 104 2.701 6.604 -1.413 822 HG LEU 104 HG LEU 104 3.275 6.913 1.474 823 HD11 LEU 104 HD11 LEU 104 1.098 6.647 2.009 824 HD12 LEU 104 HD12 LEU 104 1.449 4.958 1.646 825 HD13 LEU 104 HD13 LEU 104 0.677 5.979 0.432 826 HD21 LEU 104 HD21 LEU 104 4.644 5.349 0.517 827 HD22 LEU 104 HD22 LEU 104 3.420 4.821 -0.638 828 HD23 LEU 104 HD23 LEU 104 3.316 4.317 1.049 829 H GLN 105 HN GLN 105 2.819 9.756 -2.604 830 HA GLN 105 HA GLN 105 4.243 8.389 -4.687 831 HB2 GLN 105 HB2 GLN 105 2.291 10.625 -4.531 832 HB3 GLN 105 HB1 GLN 105 3.318 10.553 -5.956 833 HG2 GLN 105 HG2 GLN 105 2.563 8.129 -6.170 834 HG3 GLN 105 HG1 GLN 105 1.316 8.542 -4.994 835 HE21 GLN 105 HE21 GLN 105 2.722 10.090 -7.866 836 HE22 GLN 105 HE22 GLN 105 1.211 10.440 -8.626 837 H GLN 106 HN GLN 106 4.719 11.275 -2.789 838 HA GLN 106 HA GLN 106 6.666 12.479 -4.476 839 HB2 GLN 106 HB2 GLN 106 7.130 13.942 -2.593 840 HB3 GLN 106 HB1 GLN 106 5.394 13.743 -2.785 841 HG2 GLN 106 HG2 GLN 106 5.216 12.398 -0.892 842 HG3 GLN 106 HG1 GLN 106 6.945 12.054 -0.862 843 HE21 GLN 106 HE21 GLN 106 4.985 15.013 -0.992 844 HE22 GLN 106 HE22 GLN 106 5.753 15.784 0.350 845 H ILE 107 HN ILE 107 6.785 10.058 -1.968 846 HA ILE 107 HA ILE 107 9.625 10.192 -1.590 847 HB ILE 107 HB ILE 107 7.782 7.912 -0.871 848 HG12 ILE 107 HG12 ILE 107 8.641 10.084 1.021 849 HG13 ILE 107 HG11 ILE 107 7.213 10.290 0.012 850 HG21 ILE 107 HG21 ILE 107 10.342 7.649 -0.876 851 HG22 ILE 107 HG22 ILE 107 9.452 7.153 0.562 852 HG23 ILE 107 HG23 ILE 107 10.305 8.696 0.543 853 HD11 ILE 107 HD11 ILE 107 6.673 9.478 2.256 854 HD12 ILE 107 HD12 ILE 107 7.649 8.040 1.960 855 HD13 ILE 107 HD13 ILE 107 6.198 8.334 1.002 856 H ILE 108 HN ILE 108 7.439 8.380 -3.638 857 HA ILE 108 HA ILE 108 9.481 6.540 -4.526 858 HB ILE 108 HB ILE 108 6.759 7.010 -5.743 859 HG12 ILE 108 HG12 ILE 108 7.483 4.877 -3.735 860 HG13 ILE 108 HG11 ILE 108 6.782 6.421 -3.261 861 HG21 ILE 108 HG21 ILE 108 8.031 4.357 -5.812 862 HG22 ILE 108 HG22 ILE 108 8.819 5.605 -6.777 863 HG23 ILE 108 HG23 ILE 108 7.122 5.216 -7.055 864 HD11 ILE 108 HD11 ILE 108 4.994 4.912 -3.371 865 HD12 ILE 108 HD12 ILE 108 5.546 4.244 -4.907 866 HD13 ILE 108 HD13 ILE 108 4.882 5.877 -4.844 867 H SER 109 HN SER 109 8.055 9.542 -5.601 868 HA SER 109 HA SER 109 9.083 9.442 -8.261 869 HB2 SER 109 HB2 SER 109 8.327 11.711 -8.464 870 HB3 SER 109 HB1 SER 109 7.128 10.846 -7.503 871 HG SER 109 HG SER 109 7.492 12.656 -6.363 872 H ARG 110 HN ARG 110 10.293 10.565 -5.184 873 HA ARG 110 HA ARG 110 12.426 12.142 -6.184 874 HB2 ARG 110 HB2 ARG 110 13.298 12.085 -3.920 875 HB3 ARG 110 HB1 ARG 110 11.559 12.342 -3.883 876 HG2 ARG 110 HG2 ARG 110 11.159 10.399 -2.829 877 HG3 ARG 110 HG1 ARG 110 12.422 9.536 -3.708 878 HD2 ARG 110 HD2 ARG 110 12.852 11.462 -1.427 879 HD3 ARG 110 HD1 ARG 110 12.943 9.704 -1.324 880 HE ARG 110 HE ARG 110 14.730 10.398 -3.282 881 HH11 ARG 110 HH11 ARG 110 14.290 11.206 0.084 882 HH12 ARG 110 HH12 ARG 110 15.979 11.457 0.373 883 HH21 ARG 110 HH21 ARG 110 16.951 10.728 -2.904 884 HH22 ARG 110 HH22 ARG 110 17.490 11.187 -1.323 885 H TYR 111 HN TYR 111 12.009 8.732 -5.669 886 HA TYR 111 HA TYR 111 14.866 8.246 -6.104 887 HB2 TYR 111 HB2 TYR 111 12.630 6.407 -5.240 888 HB3 TYR 111 HB1 TYR 111 14.282 5.876 -5.534 889 HD1 TYR 111 HD1 TYR 111 15.937 7.875 -4.304 890 HD2 TYR 111 HD2 TYR 111 12.208 6.318 -2.971 891 HE1 TYR 111 HE1 TYR 111 16.534 8.443 -1.987 892 HE2 TYR 111 HE2 TYR 111 12.795 6.883 -0.651 893 HH TYR 111 HH TYR 111 14.762 7.300 0.702 894 H LYS 112 HN LYS 112 12.500 8.919 -8.085 895 HA LYS 112 HA LYS 112 12.829 6.660 -9.912 896 HB2 LYS 112 HB2 LYS 112 10.869 8.881 -9.635 897 HB3 LYS 112 HB1 LYS 112 11.160 8.258 -11.253 898 HG2 LYS 112 HG2 LYS 112 10.533 6.032 -10.547 899 HG3 LYS 112 HG1 LYS 112 10.328 6.593 -8.886 900 HD2 LYS 112 HD2 LYS 112 8.600 8.208 -9.782 901 HD3 LYS 112 HD1 LYS 112 8.692 7.323 -11.307 902 HE2 LYS 112 HE2 LYS 112 8.175 5.899 -8.721 903 HE3 LYS 112 HE1 LYS 112 6.863 6.679 -9.603 904 HZ1 LYS 112 HZ1 LYS 112 8.487 4.353 -10.368 905 HZ2 LYS 112 HZ2 LYS 112 7.820 5.324 -11.581 906 HZ3 LYS 112 HZ3 LYS 112 6.811 4.567 -10.455 907 H ASP 113 HN ASP 113 13.648 10.036 -9.543 908 HA ASP 113 HA ASP 113 14.882 10.071 -12.203 909 HB2 ASP 113 HB2 ASP 113 14.285 12.298 -10.247 910 HB3 ASP 113 HB1 ASP 113 15.137 12.528 -11.771 911 H ALA 114 HN ALA 114 15.613 10.225 -8.790 912 HA ALA 114 HA ALA 114 18.432 10.761 -9.300 913 HB1 ALA 114 HB1 ALA 114 17.490 11.946 -7.449 914 HB2 ALA 114 HB2 ALA 114 18.609 10.742 -6.811 915 HB3 ALA 114 HB3 ALA 114 16.870 10.454 -6.742 916 H ASP 115 HN ASP 115 16.522 8.286 -7.579 917 HA ASP 115 HA ASP 115 18.779 6.436 -7.826 918 HB2 ASP 115 HB2 ASP 115 16.434 6.654 -6.005 919 HB3 ASP 115 HB1 ASP 115 17.046 5.038 -6.347 920 H1 ASP 453 HN ASP 453 -14.576 -14.702 -0.423 921 HA ASP 453 HA ASP 453 -15.561 -15.201 -3.064 922 HB2 ASP 453 HB2 ASP 453 -17.778 -14.585 -2.044 923 HB3 ASP 453 HB1 ASP 453 -16.929 -15.890 -1.222 924 H LEU 454 HN LEU 454 -15.374 -12.329 -0.978 925 HA LEU 454 HA LEU 454 -16.134 -10.651 -3.255 926 HB2 LEU 454 HB2 LEU 454 -17.047 -10.536 -0.763 927 HB3 LEU 454 HB1 LEU 454 -15.636 -9.516 -0.551 928 HG LEU 454 HG LEU 454 -16.624 -8.311 -2.701 929 HD11 LEU 454 HD11 LEU 454 -19.131 -8.228 -2.421 930 HD12 LEU 454 HD12 LEU 454 -18.982 -9.686 -1.439 931 HD13 LEU 454 HD13 LEU 454 -18.482 -9.706 -3.130 932 HD21 LEU 454 HD21 LEU 454 -16.266 -7.003 -0.827 933 HD22 LEU 454 HD22 LEU 454 -17.313 -7.992 0.192 934 HD23 LEU 454 HD23 LEU 454 -18.018 -6.917 -1.016 935 H ASP 455 HN ASP 455 -13.385 -11.961 -2.434 936 HA ASP 455 HA ASP 455 -11.632 -9.745 -2.066 937 HB2 ASP 455 HB2 ASP 455 -11.314 -12.350 -1.634 938 HB3 ASP 455 HB1 ASP 455 -10.644 -12.293 -3.261 939 H GLU 456 HN GLU 456 -12.959 -11.398 -4.836 940 HA GLU 456 HA GLU 456 -11.157 -10.583 -6.809 941 HB2 GLU 456 HB2 GLU 456 -13.043 -10.906 -8.390 942 HB3 GLU 456 HB1 GLU 456 -12.835 -12.253 -7.279 943 HG2 GLU 456 HG2 GLU 456 -14.657 -11.296 -5.882 944 HG3 GLU 456 HG1 GLU 456 -14.918 -10.088 -7.140 945 H SER 457 HN SER 457 -14.127 -9.002 -5.657 946 HA SER 457 HA SER 457 -13.974 -6.776 -7.377 947 HB2 SER 457 HB2 SER 457 -15.251 -6.883 -4.634 948 HB3 SER 457 HB1 SER 457 -15.633 -5.754 -5.933 949 HG SER 457 HG SER 457 -16.116 -8.540 -5.836 950 H TRP 458 HN TRP 458 -13.201 -6.976 -3.898 951 HA TRP 458 HA TRP 458 -12.083 -4.454 -3.619 952 HB2 TRP 458 HB2 TRP 458 -12.062 -6.963 -2.108 953 HB3 TRP 458 HB1 TRP 458 -10.619 -5.986 -1.856 954 HD1 TRP 458 HD1 TRP 458 -11.326 -5.406 0.649 955 HE1 TRP 458 HE1 TRP 458 -13.066 -3.778 1.620 956 HE3 TRP 458 HE3 TRP 458 -14.058 -4.514 -3.582 957 HZ2 TRP 458 HZ2 TRP 458 -15.300 -2.310 0.715 958 HZ3 TRP 458 HZ3 TRP 458 -15.981 -2.986 -3.443 959 HH2 TRP 458 HH2 TRP 458 -16.588 -1.908 -1.338 960 H ASP 459 HN ASP 459 -10.776 -7.264 -5.144 961 HA ASP 459 HA ASP 459 -8.056 -6.236 -5.095 962 HB2 ASP 459 HB2 ASP 459 -9.308 -8.762 -6.155 963 HB3 ASP 459 HB1 ASP 459 -7.642 -8.328 -6.526 964 H TYR 460 HN TYR 460 -10.823 -6.148 -7.131 965 HA TYR 460 HA TYR 460 -9.221 -5.393 -9.464 966 HB2 TYR 460 HB2 TYR 460 -11.467 -6.958 -9.262 967 HB3 TYR 460 HB1 TYR 460 -12.142 -5.411 -9.766 968 HD1 TYR 460 HD2 TYR 460 -9.985 -4.395 -11.518 969 HD2 TYR 460 HD1 TYR 460 -11.632 -8.301 -11.161 970 HE1 TYR 460 HE2 TYR 460 -9.344 -4.871 -13.844 971 HE2 TYR 460 HE1 TYR 460 -10.994 -8.789 -13.485 972 HH TYR 460 HH TYR 460 -10.561 -7.182 -15.651 973 H ILE 461 HN ILE 461 -11.343 -4.069 -7.053 974 HA ILE 461 HA ILE 461 -12.245 -1.757 -8.283 975 HB ILE 461 HB ILE 461 -12.500 -0.784 -6.090 976 HG12 ILE 461 HG12 ILE 461 -10.697 -3.020 -5.131 977 HG13 ILE 461 HG11 ILE 461 -10.306 -1.303 -5.157 978 HG21 ILE 461 HG21 ILE 461 -13.099 -3.468 -5.201 979 HG22 ILE 461 HG22 ILE 461 -13.557 -3.226 -6.887 980 HG23 ILE 461 HG23 ILE 461 -14.191 -2.154 -5.638 981 HD11 ILE 461 HD11 ILE 461 -11.326 -2.700 -3.031 982 HD12 ILE 461 HD12 ILE 461 -12.741 -1.874 -3.684 983 HD13 ILE 461 HD13 ILE 461 -11.318 -0.946 -3.213 984 H PHE 462 HN PHE 462 -9.061 -2.540 -7.126 985 HA PHE 462 HA PHE 462 -8.142 0.211 -7.316 986 HB2 PHE 462 HB2 PHE 462 -6.638 -2.333 -6.673 987 HB3 PHE 462 HB1 PHE 462 -5.965 -0.708 -6.596 988 HD1 PHE 462 HD1 PHE 462 -8.347 -3.047 -5.068 989 HD2 PHE 462 HD2 PHE 462 -6.441 0.744 -4.766 990 HE1 PHE 462 HE1 PHE 462 -9.135 -2.841 -2.748 991 HE2 PHE 462 HE2 PHE 462 -7.223 0.957 -2.443 992 HZ PHE 462 HZ PHE 462 -8.572 -0.838 -1.431 993 H GLU 463 HN GLU 463 -7.963 -2.795 -9.103 994 HA GLU 463 HA GLU 463 -5.975 -1.870 -10.952 995 HB2 GLU 463 HB2 GLU 463 -6.610 -4.312 -10.294 996 HB3 GLU 463 HB1 GLU 463 -7.855 -4.136 -11.524 997 HG2 GLU 463 HG2 GLU 463 -6.388 -4.257 -13.217 998 HG3 GLU 463 HG1 GLU 463 -5.155 -3.336 -12.356 999 H THR 464 HN THR 464 -9.474 -1.940 -10.823 1000 HA THR 464 HA THR 464 -9.829 -1.198 -13.576 1001 HB THR 464 HB THR 464 -11.810 -1.058 -11.295 1002 HG1 THR 464 HG1 THR 464 -11.176 -3.152 -13.092 1003 HG21 THR 464 HG21 THR 464 -12.464 -1.471 -14.185 1004 HG22 THR 464 HG22 THR 464 -12.353 0.142 -13.482 1005 HG23 THR 464 HG23 THR 464 -13.530 -1.013 -12.857 1006 H THR 465 HN THR 465 -10.405 0.800 -14.405 1007 HA THR 465 HA THR 465 -10.293 3.061 -14.626 1008 HB THR 465 HB THR 465 -11.500 4.360 -13.063 1009 HG1 THR 465 HG1 THR 465 -10.966 4.137 -11.060 1010 HG21 THR 465 HG21 THR 465 -12.773 1.772 -12.373 1011 HG22 THR 465 HG22 THR 465 -12.702 2.251 -14.069 1012 HG23 THR 465 HG23 THR 465 -13.499 3.294 -12.891 Start of MODEL 15 1 H2 PRO 1 HT1 PRO 1 6.096 15.646 11.763 2 H3 PRO 1 HT2 PRO 1 6.528 16.987 12.614 3 HA PRO 1 HA PRO 1 4.639 17.854 12.565 4 HB2 PRO 1 HB2 PRO 1 3.373 17.114 10.143 5 HB3 PRO 1 HB1 PRO 1 4.070 18.686 10.556 6 HG2 PRO 1 HG2 PRO 1 5.265 16.426 9.041 7 HG3 PRO 1 HG1 PRO 1 5.524 18.170 8.856 8 HD2 PRO 1 HD2 PRO 1 7.387 16.635 9.987 9 HD3 PRO 1 HD1 PRO 1 7.047 18.256 10.623 10 H SER 2 HN SER 2 4.108 15.024 10.460 11 HA SER 2 HA SER 2 2.758 13.665 12.675 12 HB2 SER 2 HB2 SER 2 1.249 14.991 10.869 13 HB3 SER 2 HB1 SER 2 1.411 13.441 10.045 14 HG SER 2 HG SER 2 0.650 12.458 12.003 15 H HIS 3 HN HIS 3 3.184 13.133 9.174 16 HA HIS 3 HA HIS 3 4.066 11.399 7.995 17 HB2 HIS 3 HB2 HIS 3 5.762 11.409 10.467 18 HB3 HIS 3 HB1 HIS 3 5.959 10.123 9.280 19 HD1 HIS 3 HD1 HIS 3 7.011 13.514 10.030 20 HD2 HIS 3 HD2 HIS 3 6.652 11.167 6.620 21 HE1 HIS 3 HE1 HIS 3 8.402 14.659 8.277 22 HE2 HIS 3 HE2 HIS 3 8.108 13.263 6.200 23 H SER 4 HN SER 4 1.660 10.906 9.328 24 HA SER 4 HA SER 4 1.561 8.080 9.228 25 HB2 SER 4 HB2 SER 4 0.782 7.792 11.645 26 HB3 SER 4 HB1 SER 4 2.513 8.029 11.402 27 HG SER 4 HG SER 4 0.626 9.712 12.559 28 H GLY 5 HN GLY 5 -0.612 7.244 9.533 29 HA2 GLY 5 HA2 GLY 5 -2.789 9.043 10.033 30 HA3 GLY 5 HA1 GLY 5 -2.595 8.696 8.321 31 H ALA 6 HN ALA 6 -4.876 8.043 9.873 32 HA ALA 6 HA ALA 6 -4.914 5.384 10.770 33 HB1 ALA 6 HB1 ALA 6 -6.679 6.902 11.369 34 HB2 ALA 6 HB2 ALA 6 -7.373 5.546 10.482 35 HB3 ALA 6 HB3 ALA 6 -7.140 7.098 9.678 36 H ALA 7 HN ALA 7 -4.536 3.604 9.642 37 HA ALA 7 HA ALA 7 -5.678 3.349 6.955 38 HB1 ALA 7 HB1 ALA 7 -3.347 4.036 6.649 39 HB2 ALA 7 HB2 ALA 7 -3.621 2.393 6.072 40 HB3 ALA 7 HB3 ALA 7 -2.816 2.662 7.618 41 H ILE 8 HN ILE 8 -6.639 1.435 6.628 42 HA ILE 8 HA ILE 8 -6.430 -0.574 8.738 43 HB ILE 8 HB ILE 8 -8.346 -0.528 6.405 44 HG12 ILE 8 HG12 ILE 8 -9.964 0.195 8.305 45 HG13 ILE 8 HG11 ILE 8 -8.501 0.698 9.147 46 HG21 ILE 8 HG21 ILE 8 -7.746 -2.619 7.984 47 HG22 ILE 8 HG22 ILE 8 -9.341 -2.354 7.279 48 HG23 ILE 8 HG23 ILE 8 -9.020 -1.866 8.943 49 HD11 ILE 8 HD11 ILE 8 -8.066 2.390 7.652 50 HD12 ILE 8 HD12 ILE 8 -9.828 2.403 7.723 51 HD13 ILE 8 HD13 ILE 8 -9.007 1.637 6.363 52 H PHE 9 HN PHE 9 -5.639 -2.584 8.455 53 HA PHE 9 HA PHE 9 -4.750 -3.353 5.757 54 HB2 PHE 9 HB2 PHE 9 -2.926 -2.548 7.435 55 HB3 PHE 9 HB1 PHE 9 -3.180 -4.112 8.203 56 HD1 PHE 9 HD1 PHE 9 -3.010 -3.036 4.635 57 HD2 PHE 9 HD2 PHE 9 -1.426 -5.506 7.717 58 HE1 PHE 9 HE1 PHE 9 -1.483 -4.076 3.010 59 HE2 PHE 9 HE2 PHE 9 0.105 -6.551 6.098 60 HZ PHE 9 HZ PHE 9 0.078 -5.836 3.742 61 H GLU 10 HN GLU 10 -6.179 -4.915 5.266 62 HA GLU 10 HA GLU 10 -7.225 -6.934 5.292 63 HB2 GLU 10 HB2 GLU 10 -4.870 -7.348 7.001 64 HB3 GLU 10 HB1 GLU 10 -6.196 -8.453 7.332 65 HG2 GLU 10 HG2 GLU 10 -5.345 -9.690 5.694 66 HG3 GLU 10 HG1 GLU 10 -6.069 -8.508 4.604 67 H LYS 11 HN LYS 11 -8.973 -5.491 6.103 68 HA LYS 11 HA LYS 11 -10.616 -4.878 7.560 69 HB2 LYS 11 HB2 LYS 11 -11.773 -6.812 8.607 70 HB3 LYS 11 HB1 LYS 11 -11.443 -7.025 6.896 71 HG2 LYS 11 HG2 LYS 11 -10.970 -9.089 7.870 72 HG3 LYS 11 HG1 LYS 11 -9.393 -8.349 7.619 73 HD2 LYS 11 HD2 LYS 11 -9.155 -7.838 9.908 74 HD3 LYS 11 HD1 LYS 11 -10.868 -8.114 10.226 75 HE2 LYS 11 HE2 LYS 11 -10.198 -10.535 9.297 76 HE3 LYS 11 HE1 LYS 11 -8.642 -10.045 9.967 77 HZ1 LYS 11 HZ1 LYS 11 -10.133 -11.266 11.529 78 HZ2 LYS 11 HZ2 LYS 11 -11.179 -9.938 11.498 79 HZ3 LYS 11 HZ3 LYS 11 -9.607 -9.761 12.096 80 H VAL 12 HN VAL 12 -7.965 -4.517 8.642 81 HA VAL 12 HA VAL 12 -8.619 -4.717 11.508 82 HB VAL 12 HB VAL 12 -5.887 -5.006 10.244 83 HG11 VAL 12 HG11 VAL 12 -5.578 -3.743 12.232 84 HG12 VAL 12 HG12 VAL 12 -5.147 -5.409 12.618 85 HG13 VAL 12 HG13 VAL 12 -6.704 -4.759 13.132 86 HG21 VAL 12 HG21 VAL 12 -6.418 -7.168 10.195 87 HG22 VAL 12 HG22 VAL 12 -7.906 -6.892 11.100 88 HG23 VAL 12 HG23 VAL 12 -6.386 -7.136 11.958 89 H SER 13 HN SER 13 -8.826 -2.804 12.441 90 HA SER 13 HA SER 13 -8.050 -0.400 11.056 91 HB2 SER 13 HB2 SER 13 -9.105 -0.487 13.873 92 HB3 SER 13 HB1 SER 13 -9.319 0.768 12.651 93 HG SER 13 HG SER 13 -10.988 -1.132 13.197 94 H GLY 14 HN GLY 14 -6.115 0.508 11.196 95 HA2 GLY 14 HA2 GLY 14 -4.747 0.639 13.758 96 HA3 GLY 14 HA1 GLY 14 -3.915 -0.266 12.503 97 H ILE 15 HN ILE 15 -2.631 1.846 13.547 98 HA ILE 15 HA ILE 15 -3.014 4.048 11.635 99 HB ILE 15 HB ILE 15 -1.240 4.164 14.061 100 HG12 ILE 15 HG12 ILE 15 -3.430 3.556 14.902 101 HG13 ILE 15 HG11 ILE 15 -3.142 5.260 15.240 102 HG21 ILE 15 HG21 ILE 15 -1.253 6.463 13.763 103 HG22 ILE 15 HG22 ILE 15 -2.729 6.431 12.799 104 HG23 ILE 15 HG23 ILE 15 -1.212 5.854 12.109 105 HD11 ILE 15 HD11 ILE 15 -4.446 4.965 12.705 106 HD12 ILE 15 HD12 ILE 15 -4.975 5.832 14.147 107 HD13 ILE 15 HD13 ILE 15 -5.344 4.117 13.963 108 H ILE 16 HN ILE 16 -1.472 4.561 10.179 109 HA ILE 16 HA ILE 16 0.893 2.830 10.092 110 HB ILE 16 HB ILE 16 -0.861 3.279 8.118 111 HG12 ILE 16 HG12 ILE 16 2.033 3.095 7.362 112 HG13 ILE 16 HG11 ILE 16 1.292 1.814 8.315 113 HG21 ILE 16 HG21 ILE 16 -0.072 5.756 8.198 114 HG22 ILE 16 HG22 ILE 16 -0.330 4.967 6.641 115 HG23 ILE 16 HG23 ILE 16 1.306 5.153 7.275 116 HD11 ILE 16 HD11 ILE 16 -0.508 2.148 6.287 117 HD12 ILE 16 HD12 ILE 16 0.758 0.920 6.350 118 HD13 ILE 16 HD13 ILE 16 1.036 2.431 5.484 119 H ALA 17 HN ALA 17 2.973 3.666 9.824 120 HA ALA 17 HA ALA 17 3.303 6.567 10.009 121 HB1 ALA 17 HB1 ALA 17 4.106 4.584 12.075 122 HB2 ALA 17 HB2 ALA 17 3.488 6.226 12.261 123 HB3 ALA 17 HB3 ALA 17 5.163 5.964 11.776 124 H ILE 18 HN ILE 18 4.699 7.182 8.508 125 HA ILE 18 HA ILE 18 6.589 5.235 7.418 126 HB ILE 18 HB ILE 18 6.001 8.007 6.382 127 HG12 ILE 18 HG12 ILE 18 4.775 5.362 5.567 128 HG13 ILE 18 HG11 ILE 18 3.944 6.667 6.408 129 HG21 ILE 18 HG21 ILE 18 7.343 5.598 5.167 130 HG22 ILE 18 HG22 ILE 18 8.084 7.148 5.567 131 HG23 ILE 18 HG23 ILE 18 6.897 7.048 4.267 132 HD11 ILE 18 HD11 ILE 18 3.674 7.879 4.532 133 HD12 ILE 18 HD12 ILE 18 3.832 6.299 3.763 134 HD13 ILE 18 HD13 ILE 18 5.223 7.379 3.853 135 H ASN 19 HN ASN 19 8.748 5.389 7.638 136 HA ASN 19 HA ASN 19 9.768 7.560 9.324 137 HB2 ASN 19 HB2 ASN 19 10.087 4.973 9.751 138 HB3 ASN 19 HB1 ASN 19 11.410 5.166 8.605 139 HD21 ASN 19 HD21 ASN 19 13.224 5.203 9.717 140 HD22 ASN 19 HD22 ASN 19 13.526 6.142 11.135 141 H GLU 20 HN GLU 20 10.696 9.204 8.315 142 HA GLU 20 HA GLU 20 11.949 8.753 5.701 143 HB2 GLU 20 HB2 GLU 20 11.349 11.427 6.954 144 HB3 GLU 20 HB1 GLU 20 11.660 11.069 5.261 145 HG2 GLU 20 HG2 GLU 20 9.479 9.525 5.739 146 HG3 GLU 20 HG1 GLU 20 9.178 10.899 6.802 147 H ASP 21 HN ASP 21 13.208 8.051 8.260 148 HA ASP 21 HA ASP 21 15.363 10.007 8.494 149 HB2 ASP 21 HB2 ASP 21 14.114 8.710 10.443 150 HB3 ASP 21 HB1 ASP 21 15.323 7.480 10.085 151 H VAL 22 HN VAL 22 14.731 6.773 7.339 152 HA VAL 22 HA VAL 22 17.568 6.419 6.675 153 HB VAL 22 HB VAL 22 16.430 4.590 7.909 154 HG11 VAL 22 HG11 VAL 22 15.011 3.609 5.538 155 HG12 VAL 22 HG12 VAL 22 14.311 5.049 6.278 156 HG13 VAL 22 HG13 VAL 22 14.539 3.587 7.237 157 HG21 VAL 22 HG21 VAL 22 16.966 3.155 5.460 158 HG22 VAL 22 HG22 VAL 22 17.869 3.179 6.973 159 HG23 VAL 22 HG23 VAL 22 18.167 4.412 5.750 160 H SER 23 HN SER 23 18.227 5.927 4.568 161 HA SER 23 HA SER 23 17.117 7.358 2.506 162 HB2 SER 23 HB2 SER 23 19.054 5.108 2.651 163 HB3 SER 23 HB1 SER 23 18.379 5.485 1.066 164 HG SER 23 HG SER 23 20.344 6.714 2.276 165 HA PRO 24 HA PRO 24 15.000 3.412 0.614 166 HB2 PRO 24 HB2 PRO 24 14.723 1.308 2.379 167 HB3 PRO 24 HB1 PRO 24 15.986 1.430 1.151 168 HG2 PRO 24 HG2 PRO 24 16.106 2.082 4.066 169 HG3 PRO 24 HG1 PRO 24 17.311 1.272 3.047 170 HD2 PRO 24 HD2 PRO 24 17.579 3.846 3.740 171 HD3 PRO 24 HD1 PRO 24 18.061 3.269 2.131 172 H ALA 25 HN ALA 25 14.599 4.569 3.844 173 HA ALA 25 HA ALA 25 12.769 5.177 5.052 174 HB1 ALA 25 HB1 ALA 25 10.841 4.840 2.856 175 HB2 ALA 25 HB2 ALA 25 12.196 5.916 2.516 176 HB3 ALA 25 HB3 ALA 25 11.147 6.229 3.899 177 H GLU 26 HN GLU 26 10.620 4.392 5.854 178 HA GLU 26 HA GLU 26 9.967 1.638 5.216 179 HB2 GLU 26 HB2 GLU 26 11.282 2.480 7.756 180 HB3 GLU 26 HB1 GLU 26 10.031 1.248 7.840 181 HG2 GLU 26 HG2 GLU 26 11.690 -0.187 7.461 182 HG3 GLU 26 HG1 GLU 26 11.562 0.337 5.783 183 H LEU 27 HN LEU 27 7.888 1.067 5.752 184 HA LEU 27 HA LEU 27 6.238 3.195 6.951 185 HB2 LEU 27 HB2 LEU 27 5.701 2.974 4.626 186 HB3 LEU 27 HB1 LEU 27 5.598 1.229 4.758 187 HG LEU 27 HG LEU 27 3.730 2.919 6.364 188 HD11 LEU 27 HD11 LEU 27 2.445 3.561 4.643 189 HD12 LEU 27 HD12 LEU 27 2.736 2.076 3.738 190 HD13 LEU 27 HD13 LEU 27 3.922 3.381 3.696 191 HD21 LEU 27 HD21 LEU 27 2.430 0.729 5.273 192 HD22 LEU 27 HD22 LEU 27 3.076 0.860 6.909 193 HD23 LEU 27 HD23 LEU 27 4.050 0.132 5.632 194 H THR 28 HN THR 28 5.724 2.624 8.963 195 HA THR 28 HA THR 28 5.297 -0.201 9.597 196 HB THR 28 HB THR 28 5.333 2.072 11.572 197 HG1 THR 28 HG1 THR 28 7.537 0.642 10.512 198 HG21 THR 28 HG21 THR 28 5.550 -0.874 11.739 199 HG22 THR 28 HG22 THR 28 4.770 0.273 12.827 200 HG23 THR 28 HG23 THR 28 6.524 0.091 12.848 201 H TRP 29 HN TRP 29 3.427 -0.933 10.659 202 HA TRP 29 HA TRP 29 1.144 0.907 10.715 203 HB2 TRP 29 HB2 TRP 29 0.907 -0.213 8.602 204 HB3 TRP 29 HB1 TRP 29 1.224 -1.781 9.334 205 HD1 TRP 29 HD1 TRP 29 -1.498 0.969 9.333 206 HE1 TRP 29 HE1 TRP 29 -3.760 -0.150 9.836 207 HE3 TRP 29 HE3 TRP 29 0.134 -3.790 10.240 208 HZ2 TRP 29 HZ2 TRP 29 -4.725 -2.712 10.527 209 HZ3 TRP 29 HZ3 TRP 29 -1.522 -5.515 10.816 210 HH2 TRP 29 HH2 TRP 29 -3.901 -4.986 10.956 211 H ARG 30 HN ARG 30 0.633 0.939 12.808 212 HA ARG 30 HA ARG 30 0.648 -1.590 14.308 213 HB2 ARG 30 HB2 ARG 30 0.452 1.161 15.518 214 HB3 ARG 30 HB1 ARG 30 0.929 -0.341 16.297 215 HG2 ARG 30 HG2 ARG 30 2.879 -0.249 14.534 216 HG3 ARG 30 HG1 ARG 30 2.500 1.474 14.548 217 HD2 ARG 30 HD2 ARG 30 3.935 1.523 16.280 218 HD3 ARG 30 HD1 ARG 30 2.542 0.955 17.199 219 HE ARG 30 HE ARG 30 3.569 -1.079 17.443 220 HH11 ARG 30 HH11 ARG 30 5.226 0.742 14.969 221 HH12 ARG 30 HH12 ARG 30 6.537 -0.382 14.845 222 HH21 ARG 30 HH21 ARG 30 5.294 -2.557 17.282 223 HH22 ARG 30 HH22 ARG 30 6.576 -2.255 16.158 224 H SER 31 HN SER 31 -1.203 -2.445 15.035 225 HA SER 31 HA SER 31 -3.695 -1.565 14.131 226 HB2 SER 31 HB2 SER 31 -4.445 -3.122 16.181 227 HB3 SER 31 HB1 SER 31 -3.804 -3.786 14.678 228 HG SER 31 HG SER 31 -2.602 -3.564 17.191 229 H THR 32 HN THR 32 -5.442 -0.572 15.167 230 HA THR 32 HA THR 32 -4.678 1.393 17.145 231 HB THR 32 HB THR 32 -6.111 2.021 15.247 232 HG1 THR 32 HG1 THR 32 -7.064 3.410 16.486 233 HG21 THR 32 HG21 THR 32 -7.510 -0.318 15.796 234 HG22 THR 32 HG22 THR 32 -7.924 0.927 14.617 235 HG23 THR 32 HG23 THR 32 -8.601 0.994 16.244 236 H ASP 33 HN ASP 33 -6.522 -1.567 16.999 237 HA ASP 33 HA ASP 33 -6.651 -1.622 19.899 238 HB2 ASP 33 HB2 ASP 33 -9.094 -1.589 18.135 239 HB3 ASP 33 HB1 ASP 33 -9.121 -2.318 19.738 240 H GLY 34 HN GLY 34 -5.078 -3.304 19.407 241 HA2 GLY 34 HA2 GLY 34 -6.189 -5.883 19.530 242 HA3 GLY 34 HA1 GLY 34 -5.651 -5.591 17.883 243 H ASP 35 HN ASP 35 -3.779 -6.583 17.559 244 HA ASP 35 HA ASP 35 -1.466 -5.903 19.075 245 HB2 ASP 35 HB2 ASP 35 -2.854 -8.483 19.622 246 HB3 ASP 35 HB1 ASP 35 -1.095 -8.500 19.549 247 H LYS 36 HN LYS 36 -2.265 -5.813 16.349 248 HA LYS 36 HA LYS 36 -0.315 -7.679 15.165 249 HB2 LYS 36 HB2 LYS 36 -3.048 -6.904 14.289 250 HB3 LYS 36 HB1 LYS 36 -1.834 -7.120 13.035 251 HG2 LYS 36 HG2 LYS 36 -2.556 -9.248 13.103 252 HG3 LYS 36 HG1 LYS 36 -1.422 -9.362 14.451 253 HD2 LYS 36 HD2 LYS 36 -3.089 -9.370 16.028 254 HD3 LYS 36 HD1 LYS 36 -4.209 -8.469 15.005 255 HE2 LYS 36 HE2 LYS 36 -3.390 -11.200 14.154 256 HE3 LYS 36 HE1 LYS 36 -4.538 -11.045 15.483 257 HZ1 LYS 36 HZ1 LYS 36 -5.699 -11.238 13.397 258 HZ2 LYS 36 HZ2 LYS 36 -4.855 -9.922 12.752 259 HZ3 LYS 36 HZ3 LYS 36 -5.941 -9.686 14.027 260 H VAL 37 HN VAL 37 1.364 -6.751 14.200 261 HA VAL 37 HA VAL 37 1.073 -4.073 13.052 262 HB VAL 37 HB VAL 37 1.972 -3.746 15.320 263 HG11 VAL 37 HG11 VAL 37 3.282 -6.090 14.967 264 HG12 VAL 37 HG12 VAL 37 3.681 -4.904 16.210 265 HG13 VAL 37 HG13 VAL 37 4.585 -4.933 14.696 266 HG21 VAL 37 HG21 VAL 37 2.642 -2.089 13.810 267 HG22 VAL 37 HG22 VAL 37 3.749 -3.175 12.970 268 HG23 VAL 37 HG23 VAL 37 4.140 -2.598 14.590 269 H HIS 38 HN HIS 38 2.361 -3.670 11.287 270 HA HIS 38 HA HIS 38 4.361 -5.659 10.525 271 HB2 HIS 38 HB2 HIS 38 2.186 -6.347 9.507 272 HB3 HIS 38 HB1 HIS 38 2.142 -4.809 8.654 273 HD1 HIS 38 HD1 HIS 38 4.552 -7.745 8.965 274 HD2 HIS 38 HD2 HIS 38 3.185 -4.990 6.171 275 HE1 HIS 38 HE1 HIS 38 5.677 -8.365 6.803 276 HE2 HIS 38 HE2 HIS 38 4.765 -6.740 5.108 277 H THR 39 HN THR 39 5.953 -4.894 9.128 278 HA THR 39 HA THR 39 5.831 -2.023 8.486 279 HB THR 39 HB THR 39 8.362 -3.427 9.329 280 HG1 THR 39 HG1 THR 39 7.967 -2.918 11.368 281 HG21 THR 39 HG21 THR 39 8.747 -0.921 10.064 282 HG22 THR 39 HG22 THR 39 7.602 -0.624 8.756 283 HG23 THR 39 HG23 THR 39 9.107 -1.485 8.432 284 H VAL 40 HN VAL 40 6.456 -1.461 6.477 285 HA VAL 40 HA VAL 40 7.904 -3.420 4.844 286 HB VAL 40 HB VAL 40 5.520 -3.720 4.336 287 HG11 VAL 40 HG11 VAL 40 4.546 -1.638 4.844 288 HG12 VAL 40 HG12 VAL 40 4.376 -1.820 3.098 289 HG13 VAL 40 HG13 VAL 40 5.633 -0.773 3.757 290 HG21 VAL 40 HG21 VAL 40 5.704 -3.664 1.980 291 HG22 VAL 40 HG22 VAL 40 7.341 -3.906 2.589 292 HG23 VAL 40 HG23 VAL 40 6.837 -2.313 2.026 293 H VAL 41 HN VAL 41 9.183 -2.549 3.219 294 HA VAL 41 HA VAL 41 9.994 0.179 3.628 295 HB VAL 41 HB VAL 41 10.943 -1.664 1.438 296 HG11 VAL 41 HG11 VAL 41 12.867 0.121 2.680 297 HG12 VAL 41 HG12 VAL 41 11.507 0.989 1.969 298 HG13 VAL 41 HG13 VAL 41 12.469 -0.106 0.977 299 HG21 VAL 41 HG21 VAL 41 11.350 -2.987 3.292 300 HG22 VAL 41 HG22 VAL 41 11.631 -1.602 4.348 301 HG23 VAL 41 HG23 VAL 41 12.848 -2.066 3.159 302 H LEU 42 HN LEU 42 9.440 1.928 2.484 303 HA LEU 42 HA LEU 42 7.406 1.693 0.460 304 HB2 LEU 42 HB2 LEU 42 8.781 3.984 1.818 305 HB3 LEU 42 HB1 LEU 42 7.794 4.263 0.396 306 HG LEU 42 HG LEU 42 6.870 3.088 3.018 307 HD11 LEU 42 HD11 LEU 42 5.568 5.097 3.231 308 HD12 LEU 42 HD12 LEU 42 6.111 5.664 1.651 309 HD13 LEU 42 HD13 LEU 42 7.259 5.533 2.983 310 HD21 LEU 42 HD21 LEU 42 5.555 3.306 0.342 311 HD22 LEU 42 HD22 LEU 42 4.591 3.416 1.815 312 HD23 LEU 42 HD23 LEU 42 5.545 1.968 1.491 313 H SER 43 HN SER 43 10.845 2.223 0.561 314 HA SER 43 HA SER 43 11.242 3.373 -1.957 315 HB2 SER 43 HB2 SER 43 13.095 3.347 -0.479 316 HB3 SER 43 HB1 SER 43 12.981 1.603 -0.241 317 HG SER 43 HG SER 43 14.615 2.626 -1.812 318 H THR 44 HN THR 44 10.565 0.090 -1.011 319 HA THR 44 HA THR 44 11.366 -1.158 -3.434 320 HB THR 44 HB THR 44 9.971 -3.064 -2.617 321 HG1 THR 44 HG1 THR 44 8.459 -2.611 -1.261 322 HG21 THR 44 HG21 THR 44 12.207 -1.889 -1.208 323 HG22 THR 44 HG22 THR 44 11.872 -3.575 -1.601 324 HG23 THR 44 HG23 THR 44 11.177 -2.853 -0.150 325 H ILE 45 HN ILE 45 8.564 0.625 -2.488 326 HA ILE 45 HA ILE 45 6.615 -0.410 -4.179 327 HB ILE 45 HB ILE 45 6.995 2.495 -3.443 328 HG12 ILE 45 HG12 ILE 45 6.939 1.070 -1.456 329 HG13 ILE 45 HG11 ILE 45 5.453 2.004 -1.582 330 HG21 ILE 45 HG21 ILE 45 4.551 0.977 -4.349 331 HG22 ILE 45 HG22 ILE 45 5.416 2.217 -5.258 332 HG23 ILE 45 HG23 ILE 45 4.559 2.646 -3.778 333 HD11 ILE 45 HD11 ILE 45 4.650 -0.196 -2.835 334 HD12 ILE 45 HD12 ILE 45 4.558 -0.008 -1.084 335 HD13 ILE 45 HD13 ILE 45 5.893 -0.907 -1.806 336 H ASP 46 HN ASP 46 5.880 0.196 -6.248 337 HA ASP 46 HA ASP 46 7.925 1.475 -7.942 338 HB2 ASP 46 HB2 ASP 46 7.724 -0.939 -8.384 339 HB3 ASP 46 HB1 ASP 46 6.006 -0.735 -8.708 340 H LYS 47 HN LYS 47 4.443 0.799 -7.669 341 HA LYS 47 HA LYS 47 3.932 3.414 -8.909 342 HB2 LYS 47 HB2 LYS 47 3.148 2.259 -10.682 343 HB3 LYS 47 HB1 LYS 47 3.061 0.753 -9.781 344 HG2 LYS 47 HG2 LYS 47 0.918 1.355 -8.879 345 HG3 LYS 47 HG1 LYS 47 1.016 2.957 -9.613 346 HD2 LYS 47 HD2 LYS 47 0.739 2.112 -11.774 347 HD3 LYS 47 HD1 LYS 47 1.171 0.472 -11.286 348 HE2 LYS 47 HE2 LYS 47 -0.898 0.103 -10.269 349 HE3 LYS 47 HE1 LYS 47 -1.264 1.825 -10.180 350 HZ1 LYS 47 HZ1 LYS 47 -1.574 -0.028 -12.408 351 HZ2 LYS 47 HZ2 LYS 47 -1.092 1.546 -12.795 352 HZ3 LYS 47 HZ3 LYS 47 -2.535 1.288 -11.952 353 H LEU 48 HN LEU 48 1.842 4.347 -8.351 354 HA LEU 48 HA LEU 48 0.801 3.360 -5.778 355 HB2 LEU 48 HB2 LEU 48 1.706 6.072 -6.584 356 HB3 LEU 48 HB1 LEU 48 0.288 5.976 -5.557 357 HG LEU 48 HG LEU 48 1.958 4.342 -4.198 358 HD11 LEU 48 HD11 LEU 48 3.876 6.488 -4.809 359 HD12 LEU 48 HD12 LEU 48 3.670 5.266 -6.064 360 HD13 LEU 48 HD13 LEU 48 4.151 4.787 -4.436 361 HD21 LEU 48 HD21 LEU 48 1.202 7.183 -4.037 362 HD22 LEU 48 HD22 LEU 48 2.598 6.707 -3.069 363 HD23 LEU 48 HD23 LEU 48 1.049 5.894 -2.842 364 H GLN 49 HN GLN 49 -1.378 3.287 -5.546 365 HA GLN 49 HA GLN 49 -3.066 4.584 -7.550 366 HB2 GLN 49 HB2 GLN 49 -2.427 2.034 -7.998 367 HB3 GLN 49 HB1 GLN 49 -3.747 1.768 -6.867 368 HG2 GLN 49 HG2 GLN 49 -5.298 2.301 -8.373 369 HG3 GLN 49 HG1 GLN 49 -4.391 3.699 -8.949 370 HE21 GLN 49 HE21 GLN 49 -4.389 0.159 -9.072 371 HE22 GLN 49 HE22 GLN 49 -3.830 0.043 -10.703 372 H ALA 50 HN ALA 50 -5.315 4.714 -6.929 373 HA ALA 50 HA ALA 50 -6.070 3.968 -4.246 374 HB1 ALA 50 HB1 ALA 50 -6.417 6.863 -4.667 375 HB2 ALA 50 HB2 ALA 50 -4.763 6.320 -4.387 376 HB3 ALA 50 HB3 ALA 50 -6.020 5.966 -3.202 377 H THR 51 HN THR 51 -8.313 4.209 -3.843 378 HA THR 51 HA THR 51 -9.972 3.784 -6.056 379 HB THR 51 HB THR 51 -11.801 3.787 -4.521 380 HG1 THR 51 HG1 THR 51 -10.101 5.354 -2.901 381 HG21 THR 51 HG21 THR 51 -9.478 2.949 -2.818 382 HG22 THR 51 HG22 THR 51 -10.074 1.993 -4.175 383 HG23 THR 51 HG23 THR 51 -11.128 2.327 -2.801 384 HA PRO 52 HA PRO 52 -10.997 7.816 -7.510 385 HB2 PRO 52 HB2 PRO 52 -13.565 7.476 -8.320 386 HB3 PRO 52 HB1 PRO 52 -12.186 6.797 -9.193 387 HG2 PRO 52 HG2 PRO 52 -14.040 5.470 -7.253 388 HG3 PRO 52 HG1 PRO 52 -13.412 4.861 -8.796 389 HD2 PRO 52 HD2 PRO 52 -12.378 4.117 -6.406 390 HD3 PRO 52 HD1 PRO 52 -11.389 4.251 -7.874 391 H ALA 53 HN ALA 53 -12.322 9.690 -7.124 392 HA ALA 53 HA ALA 53 -12.962 10.089 -4.414 393 HB1 ALA 53 HB1 ALA 53 -12.380 12.048 -5.456 394 HB2 ALA 53 HB2 ALA 53 -14.137 12.198 -5.444 395 HB3 ALA 53 HB3 ALA 53 -13.306 11.678 -6.910 396 H SER 54 HN SER 54 -14.889 9.133 -7.167 397 HA SER 54 HA SER 54 -17.437 9.650 -6.055 398 HB2 SER 54 HB2 SER 54 -16.482 7.815 -8.249 399 HB3 SER 54 HB1 SER 54 -18.179 7.896 -7.777 400 HG SER 54 HG SER 54 -16.681 10.193 -8.474 401 H SER 55 HN SER 55 -15.197 6.986 -5.772 402 HA SER 55 HA SER 55 -16.973 5.063 -4.726 403 HB2 SER 55 HB2 SER 55 -14.024 5.415 -4.825 404 HB3 SER 55 HB1 SER 55 -14.652 4.301 -3.612 405 HG SER 55 HG SER 55 -15.435 4.183 -6.327 406 H GLU 56 HN GLU 56 -17.653 4.614 -2.687 407 HA GLU 56 HA GLU 56 -17.516 6.728 -0.753 408 HB2 GLU 56 HB2 GLU 56 -19.440 4.996 -1.280 409 HB3 GLU 56 HB1 GLU 56 -18.596 4.024 -0.082 410 HG2 GLU 56 HG2 GLU 56 -19.037 5.515 1.631 411 HG3 GLU 56 HG1 GLU 56 -19.337 6.853 0.523 412 H LYS 57 HN LYS 57 -16.148 3.494 -1.077 413 HA LYS 57 HA LYS 57 -14.803 3.718 1.495 414 HB2 LYS 57 HB2 LYS 57 -14.017 1.427 1.032 415 HB3 LYS 57 HB1 LYS 57 -15.767 1.563 0.921 416 HG2 LYS 57 HG2 LYS 57 -14.913 2.039 -1.662 417 HG3 LYS 57 HG1 LYS 57 -13.831 0.770 -1.085 418 HD2 LYS 57 HD2 LYS 57 -16.747 0.500 -0.547 419 HD3 LYS 57 HD1 LYS 57 -16.165 0.201 -2.185 420 HE2 LYS 57 HE2 LYS 57 -15.046 -1.683 -1.591 421 HE3 LYS 57 HE1 LYS 57 -14.658 -1.074 0.018 422 HZ1 LYS 57 HZ1 LYS 57 -17.467 -1.608 -0.495 423 HZ2 LYS 57 HZ2 LYS 57 -16.540 -1.917 0.886 424 HZ3 LYS 57 HZ3 LYS 57 -16.463 -2.968 -0.437 425 H MET 58 HN MET 58 -13.193 5.201 1.340 426 HA MET 58 HA MET 58 -11.456 5.358 -0.937 427 HB2 MET 58 HB2 MET 58 -11.351 6.651 1.790 428 HB3 MET 58 HB1 MET 58 -10.184 6.975 0.516 429 HG2 MET 58 HG2 MET 58 -11.603 8.702 0.159 430 HG3 MET 58 HG1 MET 58 -12.371 7.492 -0.867 431 HE1 MET 58 HE1 MET 58 -11.964 8.609 2.625 432 HE2 MET 58 HE2 MET 58 -13.117 7.502 3.370 433 HE3 MET 58 HE3 MET 58 -13.557 9.190 3.108 434 H MET 59 HN MET 59 -9.657 4.241 -1.306 435 HA MET 59 HA MET 59 -8.094 3.190 0.912 436 HB2 MET 59 HB2 MET 59 -8.979 1.347 -1.306 437 HB3 MET 59 HB1 MET 59 -8.102 0.923 0.158 438 HG2 MET 59 HG2 MET 59 -10.193 1.788 1.391 439 HG3 MET 59 HG1 MET 59 -10.988 1.623 -0.173 440 HE1 MET 59 HE1 MET 59 -11.391 -2.049 -0.760 441 HE2 MET 59 HE2 MET 59 -10.830 -0.597 -1.589 442 HE3 MET 59 HE3 MET 59 -12.328 -0.557 -0.658 443 H LEU 60 HN LEU 60 -5.939 2.967 0.455 444 HA LEU 60 HA LEU 60 -5.108 3.829 -2.235 445 HB2 LEU 60 HB2 LEU 60 -4.543 5.056 0.092 446 HB3 LEU 60 HB1 LEU 60 -3.190 3.943 0.018 447 HG LEU 60 HG LEU 60 -3.046 4.953 -2.467 448 HD11 LEU 60 HD11 LEU 60 -5.041 6.490 -1.541 449 HD12 LEU 60 HD12 LEU 60 -3.872 7.035 -2.744 450 HD13 LEU 60 HD13 LEU 60 -3.657 7.465 -1.047 451 HD21 LEU 60 HD21 LEU 60 -1.916 6.462 -0.127 452 HD22 LEU 60 HD22 LEU 60 -1.205 6.216 -1.722 453 HD23 LEU 60 HD23 LEU 60 -1.333 4.865 -0.596 454 H ARG 61 HN ARG 61 -4.079 2.402 -3.465 455 HA ARG 61 HA ARG 61 -2.688 0.159 -2.157 456 HB2 ARG 61 HB2 ARG 61 -4.796 -0.619 -3.139 457 HB3 ARG 61 HB1 ARG 61 -4.328 0.053 -4.695 458 HG2 ARG 61 HG2 ARG 61 -2.306 -1.492 -4.567 459 HG3 ARG 61 HG1 ARG 61 -3.158 -2.299 -3.249 460 HD2 ARG 61 HD2 ARG 61 -5.138 -2.339 -4.962 461 HD3 ARG 61 HD1 ARG 61 -3.849 -2.144 -6.149 462 HE ARG 61 HE ARG 61 -2.986 -4.209 -4.628 463 HH11 ARG 61 HH11 ARG 61 -5.974 -3.568 -6.312 464 HH12 ARG 61 HH12 ARG 61 -6.310 -5.241 -6.610 465 HH21 ARG 61 HH21 ARG 61 -3.425 -6.409 -5.020 466 HH22 ARG 61 HH22 ARG 61 -4.863 -6.853 -5.876 467 H LEU 62 HN LEU 62 -0.629 -0.101 -2.733 468 HA LEU 62 HA LEU 62 0.282 1.142 -5.237 469 HB2 LEU 62 HB2 LEU 62 2.496 1.492 -4.005 470 HB3 LEU 62 HB1 LEU 62 1.175 2.586 -3.653 471 HG LEU 62 HG LEU 62 2.474 1.890 -1.654 472 HD11 LEU 62 HD11 LEU 62 -0.246 2.207 -1.929 473 HD12 LEU 62 HD12 LEU 62 0.655 2.200 -0.412 474 HD13 LEU 62 HD13 LEU 62 -0.100 0.717 -0.996 475 HD21 LEU 62 HD21 LEU 62 2.688 -0.513 -2.638 476 HD22 LEU 62 HD22 LEU 62 1.162 -0.783 -1.795 477 HD23 LEU 62 HD23 LEU 62 2.590 -0.274 -0.893 478 H ILE 63 HN ILE 63 1.799 0.059 -6.431 479 HA ILE 63 HA ILE 63 2.290 -2.726 -5.612 480 HB ILE 63 HB ILE 63 2.124 -1.521 -8.379 481 HG12 ILE 63 HG12 ILE 63 0.234 -3.180 -8.587 482 HG13 ILE 63 HG11 ILE 63 0.383 -3.468 -6.857 483 HG21 ILE 63 HG21 ILE 63 3.295 -4.045 -7.427 484 HG22 ILE 63 HG22 ILE 63 3.597 -3.136 -8.909 485 HG23 ILE 63 HG23 ILE 63 2.191 -4.194 -8.794 486 HD11 ILE 63 HD11 ILE 63 -0.702 -1.590 -6.337 487 HD12 ILE 63 HD12 ILE 63 -1.264 -1.643 -8.008 488 HD13 ILE 63 HD13 ILE 63 0.128 -0.649 -7.576 489 H GLY 64 HN GLY 64 4.337 -3.565 -5.661 490 HA2 GLY 64 HA2 GLY 64 6.500 -1.628 -5.716 491 HA3 GLY 64 HA1 GLY 64 6.614 -3.306 -5.210 492 H LYS 65 HN LYS 65 8.668 -2.718 -6.587 493 HA LYS 65 HA LYS 65 8.129 -3.307 -9.414 494 HB2 LYS 65 HB2 LYS 65 10.584 -2.623 -9.677 495 HB3 LYS 65 HB1 LYS 65 9.425 -1.354 -9.308 496 HG2 LYS 65 HG2 LYS 65 10.598 -2.558 -6.929 497 HG3 LYS 65 HG1 LYS 65 11.787 -1.811 -7.997 498 HD2 LYS 65 HD2 LYS 65 9.275 -0.350 -7.281 499 HD3 LYS 65 HD1 LYS 65 10.636 -0.379 -6.158 500 HE2 LYS 65 HE2 LYS 65 12.013 0.805 -7.589 501 HE3 LYS 65 HE1 LYS 65 11.088 0.350 -9.019 502 HZ1 LYS 65 HZ1 LYS 65 9.658 1.934 -7.055 503 HZ2 LYS 65 HZ2 LYS 65 9.664 2.048 -8.742 504 HZ3 LYS 65 HZ3 LYS 65 10.923 2.733 -7.844 505 H VAL 66 HN VAL 66 9.273 -4.948 -10.489 506 HA VAL 66 HA VAL 66 9.688 -7.306 -9.005 507 HB VAL 66 HB VAL 66 10.737 -8.164 -11.156 508 HG11 VAL 66 HG11 VAL 66 8.675 -8.647 -11.987 509 HG12 VAL 66 HG12 VAL 66 8.105 -6.984 -11.847 510 HG13 VAL 66 HG13 VAL 66 8.191 -8.010 -10.416 511 HG21 VAL 66 HG21 VAL 66 11.093 -6.833 -12.937 512 HG22 VAL 66 HG22 VAL 66 11.141 -5.548 -11.730 513 HG23 VAL 66 HG23 VAL 66 9.656 -5.859 -12.628 514 H ASP 67 HN ASP 67 11.342 -7.788 -7.732 515 HA ASP 67 HA ASP 67 14.027 -6.846 -8.491 516 HB2 ASP 67 HB2 ASP 67 12.622 -6.701 -5.857 517 HB3 ASP 67 HB1 ASP 67 14.365 -6.954 -5.869 518 H GLU 68 HN GLU 68 14.207 -8.941 -9.530 519 HA GLU 68 HA GLU 68 14.092 -11.337 -7.965 520 HB2 GLU 68 HB2 GLU 68 15.103 -12.396 -9.983 521 HB3 GLU 68 HB1 GLU 68 13.637 -11.486 -10.322 522 HG2 GLU 68 HG2 GLU 68 14.696 -10.030 -11.647 523 HG3 GLU 68 HG1 GLU 68 16.106 -9.939 -10.593 524 H SER 69 HN SER 69 15.506 -10.624 -6.221 525 HA SER 69 HA SER 69 18.279 -11.335 -6.790 526 HB2 SER 69 HB2 SER 69 18.812 -9.342 -5.095 527 HB3 SER 69 HB1 SER 69 18.730 -9.085 -6.837 528 HG SER 69 HG SER 69 16.699 -8.586 -4.922 529 H LYS 70 HN LYS 70 15.944 -10.405 -4.277 530 HA LYS 70 HA LYS 70 17.293 -11.550 -2.105 531 HB2 LYS 70 HB2 LYS 70 14.384 -10.945 -2.601 532 HB3 LYS 70 HB1 LYS 70 14.942 -11.641 -1.086 533 HG2 LYS 70 HG2 LYS 70 15.086 -9.495 -0.454 534 HG3 LYS 70 HG1 LYS 70 16.633 -9.555 -1.301 535 HD2 LYS 70 HD2 LYS 70 15.908 -8.235 -2.979 536 HD3 LYS 70 HD1 LYS 70 14.302 -8.967 -2.996 537 HE2 LYS 70 HE2 LYS 70 13.735 -7.691 -0.961 538 HE3 LYS 70 HE1 LYS 70 15.319 -6.920 -1.028 539 HZ1 LYS 70 HZ1 LYS 70 13.463 -6.780 -3.319 540 HZ2 LYS 70 HZ2 LYS 70 14.758 -5.760 -2.942 541 HZ3 LYS 70 HZ3 LYS 70 13.335 -5.691 -2.030 542 H LYS 71 HN LYS 71 14.242 -12.865 -3.365 543 HA LYS 71 HA LYS 71 13.493 -14.997 -3.608 544 HB2 LYS 71 HB2 LYS 71 16.363 -15.188 -4.359 545 HB3 LYS 71 HB1 LYS 71 15.446 -16.675 -4.181 546 HG2 LYS 71 HG2 LYS 71 14.274 -16.338 -6.072 547 HG3 LYS 71 HG1 LYS 71 14.163 -14.596 -5.817 548 HD2 LYS 71 HD2 LYS 71 15.521 -14.775 -7.699 549 HD3 LYS 71 HD1 LYS 71 16.680 -14.577 -6.383 550 HE2 LYS 71 HE2 LYS 71 17.208 -16.884 -6.377 551 HE3 LYS 71 HE1 LYS 71 15.832 -17.274 -7.409 552 HZ1 LYS 71 HZ1 LYS 71 18.245 -17.079 -8.375 553 HZ2 LYS 71 HZ2 LYS 71 17.861 -15.434 -8.446 554 HZ3 LYS 71 HZ3 LYS 71 16.905 -16.560 -9.269 555 H ARG 72 HN ARG 72 14.390 -14.033 -1.027 556 HA ARG 72 HA ARG 72 14.967 -16.595 0.305 557 HB2 ARG 72 HB2 ARG 72 16.200 -14.033 0.578 558 HB3 ARG 72 HB1 ARG 72 15.400 -14.424 2.094 559 HG2 ARG 72 HG2 ARG 72 17.013 -16.572 0.870 560 HG3 ARG 72 HG1 ARG 72 17.894 -15.181 1.506 561 HD2 ARG 72 HD2 ARG 72 16.183 -15.624 3.537 562 HD3 ARG 72 HD1 ARG 72 16.354 -17.266 2.918 563 HE ARG 72 HE ARG 72 18.483 -17.315 3.747 564 HH11 ARG 72 HH11 ARG 72 17.414 -13.995 3.608 565 HH12 ARG 72 HH12 ARG 72 18.799 -13.383 4.448 566 HH21 ARG 72 HH21 ARG 72 20.305 -16.511 4.853 567 HH22 ARG 72 HH22 ARG 72 20.440 -14.811 5.155 568 H LYS 73 HN LYS 73 14.292 -15.987 2.879 569 HA LYS 73 HA LYS 73 11.484 -15.173 2.781 570 HB2 LYS 73 HB2 LYS 73 10.816 -17.060 4.096 571 HB3 LYS 73 HB1 LYS 73 11.728 -17.670 2.724 572 HG2 LYS 73 HG2 LYS 73 13.171 -18.685 4.058 573 HG3 LYS 73 HG1 LYS 73 13.496 -17.186 4.930 574 HD2 LYS 73 HD2 LYS 73 12.114 -17.727 6.628 575 HD3 LYS 73 HD1 LYS 73 10.922 -18.465 5.556 576 HE2 LYS 73 HE2 LYS 73 12.054 -20.042 7.151 577 HE3 LYS 73 HE1 LYS 73 12.148 -20.494 5.450 578 HZ1 LYS 73 HZ1 LYS 73 14.250 -20.480 7.042 579 HZ2 LYS 73 HZ2 LYS 73 14.333 -18.879 6.503 580 HZ3 LYS 73 HZ3 LYS 73 14.367 -20.149 5.386 581 H ASP 74 HN ASP 74 11.128 -15.867 5.543 582 HA ASP 74 HA ASP 74 12.688 -13.703 6.777 583 HB2 ASP 74 HB2 ASP 74 9.881 -14.674 7.204 584 HB3 ASP 74 HB1 ASP 74 10.722 -13.816 8.491 585 H ASN 75 HN ASN 75 10.806 -16.353 8.205 586 HA ASN 75 HA ASN 75 13.122 -17.736 9.163 587 HB2 ASN 75 HB2 ASN 75 12.544 -15.581 10.682 588 HB3 ASN 75 HB1 ASN 75 11.492 -16.771 11.443 589 HD21 ASN 75 HD21 ASN 75 14.261 -15.359 11.917 590 HD22 ASN 75 HD22 ASN 75 15.208 -16.643 12.579 591 H GLU 76 HN GLU 76 9.700 -17.145 9.979 592 HA GLU 76 HA GLU 76 8.872 -19.730 9.180 593 HB2 GLU 76 HB2 GLU 76 10.146 -19.927 11.524 594 HB3 GLU 76 HB1 GLU 76 8.556 -19.478 12.125 595 HG2 GLU 76 HG2 GLU 76 7.563 -21.409 11.320 596 HG3 GLU 76 HG1 GLU 76 8.857 -21.709 10.161 597 H GLY 77 HN GLY 77 7.455 -18.172 8.134 598 HA2 GLY 77 HA2 GLY 77 4.958 -17.955 9.480 599 HA3 GLY 77 HA1 GLY 77 5.752 -16.390 9.392 600 H ASN 78 HN ASN 78 6.985 -16.699 6.868 601 HA ASN 78 HA ASN 78 5.229 -17.529 4.842 602 HB2 ASN 78 HB2 ASN 78 4.754 -14.839 5.949 603 HB3 ASN 78 HB1 ASN 78 4.889 -14.901 4.194 604 HD21 ASN 78 HD21 ASN 78 2.807 -15.126 6.734 605 HD22 ASN 78 HD22 ASN 78 1.510 -15.970 5.965 606 H GLU 79 HN GLU 79 6.405 -17.742 3.049 607 HA GLU 79 HA GLU 79 9.084 -16.709 2.971 608 HB2 GLU 79 HB2 GLU 79 7.482 -18.339 0.996 609 HB3 GLU 79 HB1 GLU 79 9.165 -17.892 0.754 610 HG2 GLU 79 HG2 GLU 79 9.919 -19.292 2.417 611 HG3 GLU 79 HG1 GLU 79 8.364 -19.314 3.248 612 H VAL 80 HN VAL 80 9.732 -15.988 0.543 613 HA VAL 80 HA VAL 80 7.898 -13.814 -0.223 614 HB VAL 80 HB VAL 80 10.906 -13.562 -0.196 615 HG11 VAL 80 HG11 VAL 80 9.154 -11.195 -0.187 616 HG12 VAL 80 HG12 VAL 80 9.130 -12.159 -1.663 617 HG13 VAL 80 HG13 VAL 80 10.653 -11.498 -1.066 618 HG21 VAL 80 HG21 VAL 80 10.334 -11.904 1.712 619 HG22 VAL 80 HG22 VAL 80 10.428 -13.628 2.072 620 HG23 VAL 80 HG23 VAL 80 8.857 -12.854 1.867 621 H VAL 81 HN VAL 81 7.639 -13.458 -2.377 622 HA VAL 81 HA VAL 81 9.154 -15.214 -4.197 623 HB VAL 81 HB VAL 81 6.360 -14.167 -4.655 624 HG11 VAL 81 HG11 VAL 81 7.835 -14.798 -6.622 625 HG12 VAL 81 HG12 VAL 81 6.272 -15.608 -6.516 626 HG13 VAL 81 HG13 VAL 81 7.740 -16.456 -6.029 627 HG21 VAL 81 HG21 VAL 81 5.707 -16.576 -4.221 628 HG22 VAL 81 HG22 VAL 81 6.160 -15.624 -2.808 629 HG23 VAL 81 HG23 VAL 81 7.302 -16.778 -3.497 630 HA PRO 82 HA PRO 82 10.547 -11.445 -6.105 631 HB2 PRO 82 HB2 PRO 82 11.539 -12.482 -8.399 632 HB3 PRO 82 HB1 PRO 82 12.350 -12.676 -6.840 633 HG2 PRO 82 HG2 PRO 82 10.577 -14.596 -8.303 634 HG3 PRO 82 HG1 PRO 82 12.112 -14.906 -7.469 635 HD2 PRO 82 HD2 PRO 82 9.708 -15.452 -6.348 636 HD3 PRO 82 HD1 PRO 82 11.117 -14.953 -5.390 637 H LYS 83 HN LYS 83 7.947 -11.321 -6.248 638 HA LYS 83 HA LYS 83 7.379 -10.803 -9.084 639 HB2 LYS 83 HB2 LYS 83 4.969 -11.474 -8.539 640 HB3 LYS 83 HB1 LYS 83 6.143 -12.769 -8.724 641 HG2 LYS 83 HG2 LYS 83 6.042 -13.363 -6.539 642 HG3 LYS 83 HG1 LYS 83 5.723 -11.715 -5.992 643 HD2 LYS 83 HD2 LYS 83 3.428 -11.888 -6.850 644 HD3 LYS 83 HD1 LYS 83 3.753 -13.545 -7.364 645 HE2 LYS 83 HE2 LYS 83 2.543 -13.284 -5.162 646 HE3 LYS 83 HE1 LYS 83 3.990 -14.291 -5.135 647 HZ1 LYS 83 HZ1 LYS 83 4.309 -11.452 -4.520 648 HZ2 LYS 83 HZ2 LYS 83 5.124 -12.793 -3.888 649 HZ3 LYS 83 HZ3 LYS 83 3.564 -12.422 -3.350 650 HA PRO 84 HA PRO 84 6.020 -6.807 -7.834 651 HB2 PRO 84 HB2 PRO 84 3.799 -6.430 -9.388 652 HB3 PRO 84 HB1 PRO 84 5.454 -6.305 -9.994 653 HG2 PRO 84 HG2 PRO 84 3.535 -8.594 -10.182 654 HG3 PRO 84 HG1 PRO 84 4.634 -7.949 -11.416 655 HD2 PRO 84 HD2 PRO 84 5.214 -10.174 -10.017 656 HD3 PRO 84 HD1 PRO 84 6.474 -9.029 -10.522 657 H GLN 85 HN GLN 85 5.398 -7.143 -5.696 658 HA GLN 85 HA GLN 85 2.886 -8.290 -4.980 659 HB2 GLN 85 HB2 GLN 85 4.648 -6.527 -3.277 660 HB3 GLN 85 HB1 GLN 85 3.440 -7.676 -2.720 661 HG2 GLN 85 HG2 GLN 85 4.763 -9.525 -3.475 662 HG3 GLN 85 HG1 GLN 85 5.922 -8.438 -4.240 663 HE21 GLN 85 HE21 GLN 85 4.492 -9.224 -1.101 664 HE22 GLN 85 HE22 GLN 85 5.910 -8.890 -0.173 665 H ARG 86 HN ARG 86 0.982 -7.330 -4.433 666 HA ARG 86 HA ARG 86 0.794 -4.424 -4.896 667 HB2 ARG 86 HB2 ARG 86 -1.447 -6.402 -5.296 668 HB3 ARG 86 HB1 ARG 86 -1.382 -4.726 -5.821 669 HG2 ARG 86 HG2 ARG 86 0.550 -5.407 -7.306 670 HG3 ARG 86 HG1 ARG 86 0.121 -7.076 -6.930 671 HD2 ARG 86 HD2 ARG 86 -1.720 -7.029 -8.227 672 HD3 ARG 86 HD1 ARG 86 -2.122 -5.374 -7.772 673 HE ARG 86 HE ARG 86 0.166 -5.479 -9.466 674 HH11 ARG 86 HH11 ARG 86 -3.321 -5.626 -9.472 675 HH12 ARG 86 HH12 ARG 86 -3.467 -5.054 -11.100 676 HH21 ARG 86 HH21 ARG 86 -0.024 -4.725 -11.607 677 HH22 ARG 86 HH22 ARG 86 -1.595 -4.542 -12.312 678 H HIS 87 HN HIS 87 0.623 -3.447 -2.984 679 HA HIS 87 HA HIS 87 -0.932 -4.736 -0.856 680 HB2 HIS 87 HB2 HIS 87 1.184 -2.596 -0.848 681 HB3 HIS 87 HB1 HIS 87 0.140 -2.854 0.546 682 HD1 HIS 87 HD1 HIS 87 0.091 -5.782 0.936 683 HD2 HIS 87 HD2 HIS 87 3.530 -3.803 -0.298 684 HE1 HIS 87 HE1 HIS 87 1.998 -7.302 1.551 685 HE2 HIS 87 HE2 HIS 87 4.073 -6.043 0.875 686 H MET 88 HN MET 88 -2.865 -3.988 -0.279 687 HA MET 88 HA MET 88 -3.657 -1.307 -1.215 688 HB2 MET 88 HB2 MET 88 -6.021 -2.307 -1.193 689 HB3 MET 88 HB1 MET 88 -4.950 -2.778 -2.505 690 HG2 MET 88 HG2 MET 88 -4.806 -4.924 -1.809 691 HG3 MET 88 HG1 MET 88 -4.946 -4.498 -0.105 692 HE1 MET 88 HE1 MET 88 -6.977 -2.981 0.428 693 HE2 MET 88 HE2 MET 88 -8.247 -4.130 0.847 694 HE3 MET 88 HE3 MET 88 -8.495 -2.985 -0.471 695 H PHE 89 HN PHE 89 -4.034 0.074 0.374 696 HA PHE 89 HA PHE 89 -4.816 -0.986 3.008 697 HB2 PHE 89 HB2 PHE 89 -3.195 1.421 2.212 698 HB3 PHE 89 HB1 PHE 89 -3.943 1.310 3.801 699 HD1 PHE 89 HD1 PHE 89 -1.574 -0.390 1.517 700 HD2 PHE 89 HD2 PHE 89 -2.929 0.098 5.521 701 HE1 PHE 89 HE1 PHE 89 0.347 -1.700 2.322 702 HE2 PHE 89 HE2 PHE 89 -1.010 -1.210 6.334 703 HZ PHE 89 HZ PHE 89 0.631 -2.111 4.734 704 H SER 90 HN SER 90 -6.725 -0.419 3.839 705 HA SER 90 HA SER 90 -8.480 1.270 2.284 706 HB2 SER 90 HB2 SER 90 -9.397 0.306 4.925 707 HB3 SER 90 HB1 SER 90 -10.189 0.215 3.351 708 HG SER 90 HG SER 90 -8.845 -1.686 4.635 709 H PHE 91 HN PHE 91 -9.717 3.026 3.233 710 HA PHE 91 HA PHE 91 -8.620 4.277 5.617 711 HB2 PHE 91 HB2 PHE 91 -8.414 5.473 2.861 712 HB3 PHE 91 HB1 PHE 91 -8.428 6.482 4.304 713 HD1 PHE 91 HD2 PHE 91 -6.610 3.721 2.634 714 HD2 PHE 91 HD1 PHE 91 -6.485 6.808 5.560 715 HE1 PHE 91 HE2 PHE 91 -4.189 3.368 2.897 716 HE2 PHE 91 HE1 PHE 91 -4.064 6.461 5.828 717 HZ PHE 91 HZ PHE 91 -2.913 4.739 4.496 718 H ASN 92 HN ASN 92 -9.840 6.395 6.060 719 HA ASN 92 HA ASN 92 -12.619 6.202 5.120 720 HB2 ASN 92 HB2 ASN 92 -11.598 6.179 7.929 721 HB3 ASN 92 HB1 ASN 92 -13.132 6.977 7.594 722 HD21 ASN 92 HD21 ASN 92 -11.864 4.204 8.638 723 HD22 ASN 92 HD22 ASN 92 -13.078 3.086 8.128 724 H ASN 93 HN ASN 93 -10.515 7.970 4.269 725 HA ASN 93 HA ASN 93 -11.899 10.433 4.394 726 HB2 ASN 93 HB2 ASN 93 -10.593 10.172 6.677 727 HB3 ASN 93 HB1 ASN 93 -9.223 10.692 5.700 728 HD21 ASN 93 HD21 ASN 93 -9.492 12.415 7.452 729 HD22 ASN 93 HD22 ASN 93 -10.436 13.793 7.010 730 H ARG 94 HN ARG 94 -11.192 11.864 2.841 731 HA ARG 94 HA ARG 94 -9.342 10.783 0.903 732 HB2 ARG 94 HB2 ARG 94 -11.279 13.048 0.980 733 HB3 ARG 94 HB1 ARG 94 -9.967 13.122 -0.188 734 HG2 ARG 94 HG2 ARG 94 -10.689 10.836 -0.966 735 HG3 ARG 94 HG1 ARG 94 -12.127 11.046 0.035 736 HD2 ARG 94 HD2 ARG 94 -11.250 12.847 -2.221 737 HD3 ARG 94 HD1 ARG 94 -12.566 11.675 -2.282 738 HE ARG 94 HE ARG 94 -13.084 13.392 -0.158 739 HH11 ARG 94 HH11 ARG 94 -12.806 13.565 -3.632 740 HH12 ARG 94 HH12 ARG 94 -13.914 14.888 -3.780 741 HH21 ARG 94 HH21 ARG 94 -14.541 15.132 -0.350 742 HH22 ARG 94 HH22 ARG 94 -14.898 15.778 -1.917 743 H THR 95 HN THR 95 -9.518 13.601 3.039 744 HA THR 95 HA THR 95 -7.184 14.886 2.184 745 HB THR 95 HB THR 95 -8.395 14.860 4.956 746 HG1 THR 95 HG1 THR 95 -9.543 16.637 4.250 747 HG21 THR 95 HG21 THR 95 -6.930 17.180 3.805 748 HG22 THR 95 HG22 THR 95 -6.028 15.867 4.562 749 HG23 THR 95 HG23 THR 95 -7.234 16.758 5.491 750 H VAL 96 HN VAL 96 -7.679 12.206 4.379 751 HA VAL 96 HA VAL 96 -4.991 12.224 5.396 752 HB VAL 96 HB VAL 96 -6.980 9.956 5.520 753 HG11 VAL 96 HG11 VAL 96 -5.722 9.206 7.416 754 HG12 VAL 96 HG12 VAL 96 -4.707 10.648 7.375 755 HG13 VAL 96 HG13 VAL 96 -4.603 9.458 6.077 756 HG21 VAL 96 HG21 VAL 96 -7.870 10.846 7.507 757 HG22 VAL 96 HG22 VAL 96 -7.814 12.204 6.382 758 HG23 VAL 96 HG23 VAL 96 -6.587 12.050 7.640 759 H MET 97 HN MET 97 -6.801 10.274 3.047 760 HA MET 97 HA MET 97 -4.774 8.449 2.426 761 HB2 MET 97 HB2 MET 97 -7.257 9.395 1.098 762 HB3 MET 97 HB1 MET 97 -6.085 8.560 0.088 763 HG2 MET 97 HG2 MET 97 -6.216 6.916 2.252 764 HG3 MET 97 HG1 MET 97 -7.867 7.524 2.160 765 HE1 MET 97 HE1 MET 97 -8.352 8.218 -0.433 766 HE2 MET 97 HE2 MET 97 -9.076 6.807 -1.206 767 HE3 MET 97 HE3 MET 97 -7.520 7.419 -1.767 768 H ASP 98 HN ASP 98 -5.335 11.724 1.353 769 HA ASP 98 HA ASP 98 -3.563 11.667 -0.869 770 HB2 ASP 98 HB2 ASP 98 -5.437 13.410 -0.095 771 HB3 ASP 98 HB1 ASP 98 -4.030 14.219 0.589 772 H ASN 99 HN ASN 99 -3.193 12.494 2.540 773 HA ASN 99 HA ASN 99 -0.561 13.519 2.335 774 HB2 ASN 99 HB2 ASN 99 -2.213 13.812 4.266 775 HB3 ASN 99 HB1 ASN 99 -1.719 12.205 4.791 776 HD21 ASN 99 HD21 ASN 99 -1.409 14.779 6.115 777 HD22 ASN 99 HD22 ASN 99 0.285 14.974 6.394 778 H ILE 100 HN ILE 100 -1.868 10.298 2.666 779 HA ILE 100 HA ILE 100 0.625 9.064 3.367 780 HB ILE 100 HB ILE 100 -1.875 7.782 2.254 781 HG12 ILE 100 HG12 ILE 100 -2.246 9.049 4.364 782 HG13 ILE 100 HG11 ILE 100 -2.493 7.316 4.549 783 HG21 ILE 100 HG21 ILE 100 -0.188 6.204 1.989 784 HG22 ILE 100 HG22 ILE 100 -0.884 5.792 3.556 785 HG23 ILE 100 HG23 ILE 100 0.633 6.688 3.473 786 HD11 ILE 100 HD11 ILE 100 -1.020 8.868 6.212 787 HD12 ILE 100 HD12 ILE 100 0.225 8.216 5.146 788 HD13 ILE 100 HD13 ILE 100 -0.836 7.123 6.034 789 H LYS 101 HN LYS 101 -1.350 9.171 0.406 790 HA LYS 101 HA LYS 101 0.402 7.724 -1.228 791 HB2 LYS 101 HB2 LYS 101 -1.945 8.226 -1.810 792 HB3 LYS 101 HB1 LYS 101 -1.517 9.916 -2.035 793 HG2 LYS 101 HG2 LYS 101 0.181 9.012 -3.760 794 HG3 LYS 101 HG1 LYS 101 -0.806 7.550 -3.715 795 HD2 LYS 101 HD2 LYS 101 -2.216 10.140 -4.033 796 HD3 LYS 101 HD1 LYS 101 -1.285 9.549 -5.411 797 HE2 LYS 101 HE2 LYS 101 -2.571 7.296 -4.769 798 HE3 LYS 101 HE1 LYS 101 -3.744 8.465 -4.164 799 HZ1 LYS 101 HZ1 LYS 101 -3.883 7.663 -6.600 800 HZ2 LYS 101 HZ2 LYS 101 -2.638 8.774 -6.873 801 HZ3 LYS 101 HZ3 LYS 101 -4.122 9.303 -6.257 802 H MET 102 HN MET 102 0.132 11.217 -0.659 803 HA MET 102 HA MET 102 2.076 12.043 -2.495 804 HB2 MET 102 HB2 MET 102 2.073 14.139 -1.363 805 HB3 MET 102 HB1 MET 102 0.434 13.512 -1.266 806 HG2 MET 102 HG2 MET 102 0.745 12.864 1.010 807 HG3 MET 102 HG1 MET 102 2.462 13.254 0.939 808 HE1 MET 102 HE1 MET 102 -0.626 16.312 -0.077 809 HE2 MET 102 HE2 MET 102 -1.237 15.462 1.342 810 HE3 MET 102 HE3 MET 102 -0.816 14.559 -0.114 811 H THR 103 HN THR 103 2.354 10.735 0.728 812 HA THR 103 HA THR 103 5.149 11.399 0.990 813 HB THR 103 HB THR 103 3.411 9.566 2.654 814 HG1 THR 103 HG1 THR 103 2.739 11.301 3.599 815 HG21 THR 103 HG21 THR 103 5.845 10.926 3.691 816 HG22 THR 103 HG22 THR 103 6.008 9.413 2.799 817 HG23 THR 103 HG23 THR 103 5.030 9.472 4.266 818 H LEU 104 HN LEU 104 3.243 8.706 -0.120 819 HA LEU 104 HA LEU 104 5.427 6.829 -0.066 820 HB2 LEU 104 HB2 LEU 104 2.579 6.791 -0.891 821 HB3 LEU 104 HB1 LEU 104 3.641 5.633 -1.670 822 HG LEU 104 HG LEU 104 4.331 5.184 0.885 823 HD11 LEU 104 HD11 LEU 104 2.894 6.707 1.956 824 HD12 LEU 104 HD12 LEU 104 2.140 5.126 2.161 825 HD13 LEU 104 HD13 LEU 104 1.522 6.247 0.948 826 HD21 LEU 104 HD21 LEU 104 3.606 3.502 -0.717 827 HD22 LEU 104 HD22 LEU 104 1.931 4.019 -0.522 828 HD23 LEU 104 HD23 LEU 104 2.789 3.282 0.830 829 H GLN 105 HN GLN 105 4.073 9.091 -2.333 830 HA GLN 105 HA GLN 105 5.428 7.947 -4.614 831 HB2 GLN 105 HB2 GLN 105 3.564 10.205 -4.136 832 HB3 GLN 105 HB1 GLN 105 4.649 10.358 -5.511 833 HG2 GLN 105 HG2 GLN 105 3.837 8.117 -6.281 834 HG3 GLN 105 HG1 GLN 105 2.620 8.199 -5.008 835 HE21 GLN 105 HE21 GLN 105 1.591 7.917 -7.370 836 HE22 GLN 105 HE22 GLN 105 0.956 9.391 -8.008 837 H GLN 106 HN GLN 106 5.844 10.710 -2.454 838 HA GLN 106 HA GLN 106 7.912 12.003 -3.812 839 HB2 GLN 106 HB2 GLN 106 8.440 13.064 -1.679 840 HB3 GLN 106 HB1 GLN 106 6.700 13.006 -1.930 841 HG2 GLN 106 HG2 GLN 106 6.526 11.109 -0.428 842 HG3 GLN 106 HG1 GLN 106 8.275 11.105 -0.208 843 HE21 GLN 106 HE21 GLN 106 7.896 11.340 2.044 844 HE22 GLN 106 HE22 GLN 106 7.507 12.883 2.716 845 H ILE 107 HN ILE 107 8.016 9.371 -1.451 846 HA ILE 107 HA ILE 107 10.809 9.273 -1.140 847 HB ILE 107 HB ILE 107 8.869 6.968 -0.923 848 HG12 ILE 107 HG12 ILE 107 9.865 8.589 1.396 849 HG13 ILE 107 HG11 ILE 107 8.489 9.159 0.458 850 HG21 ILE 107 HG21 ILE 107 11.281 6.371 -1.033 851 HG22 ILE 107 HG22 ILE 107 10.506 5.926 0.487 852 HG23 ILE 107 HG23 ILE 107 11.545 7.350 0.410 853 HD11 ILE 107 HD11 ILE 107 7.834 7.902 2.462 854 HD12 ILE 107 HD12 ILE 107 8.656 6.481 1.818 855 HD13 ILE 107 HD13 ILE 107 7.260 7.151 0.974 856 H ILE 108 HN ILE 108 8.647 7.779 -3.488 857 HA ILE 108 HA ILE 108 10.670 6.146 -4.684 858 HB ILE 108 HB ILE 108 8.051 7.003 -5.914 859 HG12 ILE 108 HG12 ILE 108 8.546 4.471 -4.351 860 HG13 ILE 108 HG11 ILE 108 7.904 5.928 -3.600 861 HG21 ILE 108 HG21 ILE 108 9.233 4.354 -6.444 862 HG22 ILE 108 HG22 ILE 108 10.089 5.738 -7.123 863 HG23 ILE 108 HG23 ILE 108 8.395 5.464 -7.529 864 HD11 ILE 108 HD11 ILE 108 6.017 5.865 -5.188 865 HD12 ILE 108 HD12 ILE 108 6.103 4.444 -4.146 866 HD13 ILE 108 HD13 ILE 108 6.643 4.343 -5.822 867 H SER 109 HN SER 109 9.003 9.125 -5.712 868 HA SER 109 HA SER 109 10.421 9.528 -8.081 869 HB2 SER 109 HB2 SER 109 8.921 11.346 -6.226 870 HB3 SER 109 HB1 SER 109 9.830 12.029 -7.574 871 HG SER 109 HG SER 109 7.986 11.616 -8.553 872 H ARG 110 HN ARG 110 11.253 10.248 -4.766 873 HA ARG 110 HA ARG 110 13.438 11.981 -5.353 874 HB2 ARG 110 HB2 ARG 110 12.416 10.570 -2.932 875 HB3 ARG 110 HB1 ARG 110 14.071 11.164 -2.906 876 HG2 ARG 110 HG2 ARG 110 13.435 13.358 -2.943 877 HG3 ARG 110 HG1 ARG 110 11.916 13.018 -3.775 878 HD2 ARG 110 HD2 ARG 110 11.143 13.495 -1.671 879 HD3 ARG 110 HD1 ARG 110 11.348 11.748 -1.551 880 HE ARG 110 HE ARG 110 13.729 12.705 -0.702 881 HH11 ARG 110 HH11 ARG 110 10.428 13.396 0.196 882 HH12 ARG 110 HH12 ARG 110 10.824 13.792 1.834 883 HH21 ARG 110 HH21 ARG 110 14.252 13.225 1.453 884 HH22 ARG 110 HH22 ARG 110 12.996 13.696 2.548 885 H TYR 111 HN TYR 111 13.050 8.526 -5.035 886 HA TYR 111 HA TYR 111 15.949 8.164 -5.366 887 HB2 TYR 111 HB2 TYR 111 13.904 6.094 -4.551 888 HB3 TYR 111 HB1 TYR 111 15.656 5.917 -4.524 889 HD1 TYR 111 HD1 TYR 111 16.415 8.540 -3.318 890 HD2 TYR 111 HD2 TYR 111 13.323 5.801 -2.300 891 HE1 TYR 111 HE1 TYR 111 16.462 9.358 -0.999 892 HE2 TYR 111 HE2 TYR 111 13.361 6.611 0.022 893 HH TYR 111 HH TYR 111 14.824 7.750 1.551 894 H LYS 112 HN LYS 112 13.508 8.585 -7.345 895 HA LYS 112 HA LYS 112 13.480 6.269 -8.978 896 HB2 LYS 112 HB2 LYS 112 12.459 9.035 -9.150 897 HB3 LYS 112 HB1 LYS 112 12.765 8.249 -10.693 898 HG2 LYS 112 HG2 LYS 112 11.394 6.296 -9.706 899 HG3 LYS 112 HG1 LYS 112 10.827 7.499 -8.546 900 HD2 LYS 112 HD2 LYS 112 9.580 8.584 -10.085 901 HD3 LYS 112 HD1 LYS 112 10.762 8.330 -11.371 902 HE2 LYS 112 HE2 LYS 112 10.020 6.026 -11.620 903 HE3 LYS 112 HE1 LYS 112 8.873 6.238 -10.298 904 HZ1 LYS 112 HZ1 LYS 112 7.449 7.384 -11.596 905 HZ2 LYS 112 HZ2 LYS 112 8.213 6.532 -12.842 906 HZ3 LYS 112 HZ3 LYS 112 8.670 8.125 -12.503 907 H ASP 113 HN ASP 113 15.314 9.292 -9.085 908 HA ASP 113 HA ASP 113 17.059 8.067 -11.121 909 HB2 ASP 113 HB2 ASP 113 15.602 10.235 -11.622 910 HB3 ASP 113 HB1 ASP 113 16.950 11.032 -10.817 911 H ALA 114 HN ALA 114 16.917 10.238 -8.328 912 HA ALA 114 HA ALA 114 19.728 10.522 -8.048 913 HB1 ALA 114 HB1 ALA 114 18.015 10.786 -5.650 914 HB2 ALA 114 HB2 ALA 114 17.654 11.847 -7.011 915 HB3 ALA 114 HB3 ALA 114 19.260 11.864 -6.281 916 H ASP 115 HN ASP 115 17.387 8.209 -6.851 917 HA ASP 115 HA ASP 115 17.602 6.236 -5.741 918 HB2 ASP 115 HB2 ASP 115 19.317 5.934 -7.614 919 HB3 ASP 115 HB1 ASP 115 20.542 6.320 -6.408 920 H1 ASP 453 HN ASP 453 -13.802 -15.334 -4.328 921 HA ASP 453 HA ASP 453 -14.697 -14.301 -6.145 922 HB2 ASP 453 HB2 ASP 453 -16.728 -15.727 -5.094 923 HB3 ASP 453 HB1 ASP 453 -17.413 -14.109 -4.970 924 H LEU 454 HN LEU 454 -13.675 -12.711 -3.936 925 HA LEU 454 HA LEU 454 -15.283 -10.265 -4.272 926 HB2 LEU 454 HB2 LEU 454 -14.712 -11.406 -1.929 927 HB3 LEU 454 HB1 LEU 454 -13.248 -10.459 -2.117 928 HG LEU 454 HG LEU 454 -14.996 -8.517 -2.601 929 HD11 LEU 454 HD11 LEU 454 -16.550 -9.983 -0.534 930 HD12 LEU 454 HD12 LEU 454 -16.815 -10.385 -2.231 931 HD13 LEU 454 HD13 LEU 454 -17.068 -8.733 -1.667 932 HD21 LEU 454 HD21 LEU 454 -13.783 -9.581 -0.126 933 HD22 LEU 454 HD22 LEU 454 -15.043 -8.363 0.071 934 HD23 LEU 454 HD23 LEU 454 -13.609 -8.001 -0.890 935 H ASP 455 HN ASP 455 -12.831 -11.597 -5.745 936 HA ASP 455 HA ASP 455 -10.854 -9.495 -5.531 937 HB2 ASP 455 HB2 ASP 455 -11.048 -12.122 -6.911 938 HB3 ASP 455 HB1 ASP 455 -9.981 -10.917 -7.627 939 H GLU 456 HN GLU 456 -13.499 -10.376 -7.616 940 HA GLU 456 HA GLU 456 -12.827 -8.933 -9.913 941 HB2 GLU 456 HB2 GLU 456 -14.872 -10.543 -9.271 942 HB3 GLU 456 HB1 GLU 456 -15.679 -8.992 -9.085 943 HG2 GLU 456 HG2 GLU 456 -15.063 -8.400 -11.377 944 HG3 GLU 456 HG1 GLU 456 -14.271 -9.965 -11.561 945 H SER 457 HN SER 457 -14.756 -7.928 -7.095 946 HA SER 457 HA SER 457 -15.078 -5.250 -8.029 947 HB2 SER 457 HB2 SER 457 -16.711 -6.237 -6.508 948 HB3 SER 457 HB1 SER 457 -15.471 -6.436 -5.271 949 HG SER 457 HG SER 457 -16.882 -4.517 -5.122 950 H TRP 458 HN TRP 458 -12.806 -6.889 -5.917 951 HA TRP 458 HA TRP 458 -11.582 -4.510 -4.920 952 HB2 TRP 458 HB2 TRP 458 -11.222 -7.393 -4.624 953 HB3 TRP 458 HB1 TRP 458 -9.695 -6.518 -4.648 954 HD1 TRP 458 HD1 TRP 458 -9.206 -6.899 -2.076 955 HE1 TRP 458 HE1 TRP 458 -10.230 -5.906 0.066 956 HE3 TRP 458 HE3 TRP 458 -13.417 -4.807 -4.084 957 HZ2 TRP 458 HZ2 TRP 458 -12.520 -4.431 0.807 958 HZ3 TRP 458 HZ3 TRP 458 -14.973 -3.623 -2.590 959 HH2 TRP 458 HH2 TRP 458 -14.532 -3.440 -0.195 960 H ASP 459 HN ASP 459 -11.137 -6.523 -7.724 961 HA ASP 459 HA ASP 459 -8.552 -5.442 -8.388 962 HB2 ASP 459 HB2 ASP 459 -10.469 -7.321 -9.727 963 HB3 ASP 459 HB1 ASP 459 -9.121 -6.642 -10.634 964 H TYR 460 HN TYR 460 -11.819 -4.517 -8.903 965 HA TYR 460 HA TYR 460 -11.088 -2.769 -11.136 966 HB2 TYR 460 HB2 TYR 460 -13.602 -3.982 -10.169 967 HB3 TYR 460 HB1 TYR 460 -13.745 -2.342 -10.794 968 HD1 TYR 460 HD2 TYR 460 -13.100 -1.861 -13.147 969 HD2 TYR 460 HD1 TYR 460 -13.233 -5.831 -11.624 970 HE1 TYR 460 HE2 TYR 460 -13.127 -2.735 -15.445 971 HE2 TYR 460 HE1 TYR 460 -13.259 -6.716 -13.918 972 HH TYR 460 HH TYR 460 -14.039 -5.037 -16.529 973 H ILE 461 HN ILE 461 -11.980 -2.705 -7.774 974 HA ILE 461 HA ILE 461 -12.675 0.048 -7.639 975 HB ILE 461 HB ILE 461 -13.376 -1.575 -5.926 976 HG12 ILE 461 HG12 ILE 461 -11.654 0.679 -4.870 977 HG13 ILE 461 HG11 ILE 461 -13.332 0.816 -5.384 978 HG21 ILE 461 HG21 ILE 461 -11.157 -2.793 -5.942 979 HG22 ILE 461 HG22 ILE 461 -11.896 -2.535 -4.362 980 HG23 ILE 461 HG23 ILE 461 -10.557 -1.514 -4.886 981 HD11 ILE 461 HD11 ILE 461 -13.300 0.745 -3.015 982 HD12 ILE 461 HD12 ILE 461 -12.260 -0.680 -3.010 983 HD13 ILE 461 HD13 ILE 461 -13.925 -0.804 -3.579 984 H PHE 462 HN PHE 462 -9.657 -1.700 -7.490 985 HA PHE 462 HA PHE 462 -8.229 0.731 -6.692 986 HB2 PHE 462 HB2 PHE 462 -7.448 -2.174 -6.802 987 HB3 PHE 462 HB1 PHE 462 -6.241 -0.903 -6.639 988 HD1 PHE 462 HD1 PHE 462 -6.773 0.850 -4.726 989 HD2 PHE 462 HD2 PHE 462 -8.280 -3.126 -4.889 990 HE1 PHE 462 HE1 PHE 462 -7.149 0.896 -2.295 991 HE2 PHE 462 HE2 PHE 462 -8.660 -3.087 -2.459 992 HZ PHE 462 HZ PHE 462 -8.094 -1.074 -1.158 993 H GLU 463 HN GLU 463 -7.861 -1.865 -9.120 994 HA GLU 463 HA GLU 463 -5.995 -0.516 -10.712 995 HB2 GLU 463 HB2 GLU 463 -8.028 -2.511 -11.711 996 HB3 GLU 463 HB1 GLU 463 -6.452 -2.156 -12.403 997 HG2 GLU 463 HG2 GLU 463 -5.426 -3.016 -10.292 998 HG3 GLU 463 HG1 GLU 463 -7.035 -3.542 -9.800 999 H THR 464 HN THR 464 -9.532 -0.634 -10.897 1000 HA THR 464 HA THR 464 -9.483 1.344 -13.055 1001 HB THR 464 HB THR 464 -12.065 0.298 -12.040 1002 HG1 THR 464 HG1 THR 464 -10.153 -1.320 -13.361 1003 HG21 THR 464 HG21 THR 464 -10.879 1.006 -14.669 1004 HG22 THR 464 HG22 THR 464 -12.422 1.478 -13.958 1005 HG23 THR 464 HG23 THR 464 -12.213 -0.146 -14.614 1006 H THR 465 HN THR 465 -10.479 3.343 -12.895 1007 HA THR 465 HA THR 465 -11.234 4.170 -10.168 1008 HB THR 465 HB THR 465 -10.440 6.483 -10.965 1009 HG1 THR 465 HG1 THR 465 -9.667 6.565 -12.894 1010 HG21 THR 465 HG21 THR 465 -8.125 4.620 -10.850 1011 HG22 THR 465 HG22 THR 465 -9.177 4.787 -9.444 1012 HG23 THR 465 HG23 THR 465 -8.344 6.199 -10.095 Start of MODEL 16 1 H2 PRO 1 HT1 PRO 1 -1.058 18.881 6.927 2 H3 PRO 1 HT2 PRO 1 -0.939 18.960 5.288 3 HA PRO 1 HA PRO 1 0.698 17.739 5.395 4 HB2 PRO 1 HB2 PRO 1 2.539 19.413 6.888 5 HB3 PRO 1 HB1 PRO 1 2.534 19.019 5.164 6 HG2 PRO 1 HG2 PRO 1 1.925 21.492 6.123 7 HG3 PRO 1 HG1 PRO 1 1.259 20.839 4.615 8 HD2 PRO 1 HD2 PRO 1 -0.002 20.984 7.337 9 HD3 PRO 1 HD1 PRO 1 -0.712 21.347 5.752 10 H SER 2 HN SER 2 1.495 16.059 6.567 11 HA SER 2 HA SER 2 2.172 16.121 9.289 12 HB2 SER 2 HB2 SER 2 -0.518 16.267 9.100 13 HB3 SER 2 HB1 SER 2 -0.311 14.516 9.085 14 HG SER 2 HG SER 2 0.574 14.588 11.072 15 H HIS 3 HN HIS 3 3.093 14.199 9.971 16 HA HIS 3 HA HIS 3 3.448 12.202 7.861 17 HB2 HIS 3 HB2 HIS 3 5.009 12.827 10.367 18 HB3 HIS 3 HB1 HIS 3 5.322 11.401 9.383 19 HD1 HIS 3 HD1 HIS 3 5.317 15.181 9.068 20 HD2 HIS 3 HD2 HIS 3 6.997 11.828 7.278 21 HE1 HIS 3 HE1 HIS 3 6.980 16.069 7.403 22 HE2 HIS 3 HE2 HIS 3 7.922 14.024 6.272 23 H SER 4 HN SER 4 0.980 12.168 9.188 24 HA SER 4 HA SER 4 0.786 9.461 9.915 25 HB2 SER 4 HB2 SER 4 -0.019 10.014 12.346 26 HB3 SER 4 HB1 SER 4 1.703 9.818 12.023 27 HG SER 4 HG SER 4 2.017 11.889 12.365 28 H GLY 5 HN GLY 5 -1.349 8.771 10.075 29 HA2 GLY 5 HA2 GLY 5 -3.526 10.601 10.406 30 HA3 GLY 5 HA1 GLY 5 -3.295 10.160 8.721 31 H ALA 6 HN ALA 6 -5.655 9.569 9.948 32 HA ALA 6 HA ALA 6 -5.815 7.058 11.185 33 HB1 ALA 6 HB1 ALA 6 -7.811 8.646 9.593 34 HB2 ALA 6 HB2 ALA 6 -7.695 8.475 11.344 35 HB3 ALA 6 HB3 ALA 6 -8.209 7.107 10.357 36 H ALA 7 HN ALA 7 -5.940 5.007 10.437 37 HA ALA 7 HA ALA 7 -6.394 4.420 7.655 38 HB1 ALA 7 HB1 ALA 7 -3.809 3.317 8.571 39 HB2 ALA 7 HB2 ALA 7 -3.839 5.033 8.163 40 HB3 ALA 7 HB3 ALA 7 -4.320 3.832 6.963 41 H ILE 8 HN ILE 8 -7.553 2.616 7.601 42 HA ILE 8 HA ILE 8 -7.473 0.814 9.907 43 HB ILE 8 HB ILE 8 -9.453 0.790 7.632 44 HG12 ILE 8 HG12 ILE 8 -10.943 1.871 9.462 45 HG13 ILE 8 HG11 ILE 8 -9.419 2.329 10.216 46 HG21 ILE 8 HG21 ILE 8 -10.078 -0.200 10.354 47 HG22 ILE 8 HG22 ILE 8 -9.004 -1.179 9.356 48 HG23 ILE 8 HG23 ILE 8 -10.623 -0.783 8.781 49 HD11 ILE 8 HD11 ILE 8 -9.819 2.982 7.349 50 HD12 ILE 8 HD12 ILE 8 -8.917 3.845 8.594 51 HD13 ILE 8 HD13 ILE 8 -10.678 3.932 8.561 52 H PHE 9 HN PHE 9 -6.142 -0.859 9.754 53 HA PHE 9 HA PHE 9 -5.799 -2.153 7.129 54 HB2 PHE 9 HB2 PHE 9 -3.786 -1.032 8.334 55 HB3 PHE 9 HB1 PHE 9 -3.839 -2.442 9.387 56 HD1 PHE 9 HD1 PHE 9 -4.376 -2.129 5.716 57 HD2 PHE 9 HD2 PHE 9 -2.001 -3.733 8.863 58 HE1 PHE 9 HE1 PHE 9 -3.061 -3.401 4.071 59 HE2 PHE 9 HE2 PHE 9 -0.682 -5.007 7.223 60 HZ PHE 9 HZ PHE 9 -1.210 -4.842 4.823 61 H GLU 10 HN GLU 10 -6.190 -4.294 6.939 62 HA GLU 10 HA GLU 10 -6.953 -6.378 7.436 63 HB2 GLU 10 HB2 GLU 10 -5.873 -5.892 10.214 64 HB3 GLU 10 HB1 GLU 10 -6.165 -7.445 9.443 65 HG2 GLU 10 HG2 GLU 10 -4.443 -6.274 7.689 66 HG3 GLU 10 HG1 GLU 10 -3.880 -5.637 9.233 67 H LYS 11 HN LYS 11 -8.723 -4.159 7.731 68 HA LYS 11 HA LYS 11 -10.827 -3.698 8.456 69 HB2 LYS 11 HB2 LYS 11 -10.547 -6.607 9.015 70 HB3 LYS 11 HB1 LYS 11 -11.904 -5.769 9.754 71 HG2 LYS 11 HG2 LYS 11 -11.286 -5.805 6.807 72 HG3 LYS 11 HG1 LYS 11 -12.489 -6.813 7.614 73 HD2 LYS 11 HD2 LYS 11 -13.232 -4.362 8.482 74 HD3 LYS 11 HD1 LYS 11 -12.581 -3.958 6.892 75 HE2 LYS 11 HE2 LYS 11 -14.830 -4.393 6.470 76 HE3 LYS 11 HE1 LYS 11 -14.027 -5.900 6.034 77 HZ1 LYS 11 HZ1 LYS 11 -14.950 -5.659 8.786 78 HZ2 LYS 11 HZ2 LYS 11 -14.957 -7.000 7.755 79 HZ3 LYS 11 HZ3 LYS 11 -16.148 -5.809 7.601 80 H VAL 12 HN VAL 12 -8.532 -3.111 10.141 81 HA VAL 12 HA VAL 12 -9.928 -2.967 12.729 82 HB VAL 12 HB VAL 12 -6.945 -3.327 12.419 83 HG11 VAL 12 HG11 VAL 12 -8.750 -3.274 14.834 84 HG12 VAL 12 HG12 VAL 12 -7.504 -2.101 14.410 85 HG13 VAL 12 HG13 VAL 12 -7.050 -3.743 14.866 86 HG21 VAL 12 HG21 VAL 12 -7.545 -5.571 13.578 87 HG22 VAL 12 HG22 VAL 12 -7.746 -5.418 11.833 88 HG23 VAL 12 HG23 VAL 12 -9.147 -5.293 12.897 89 H SER 13 HN SER 13 -9.851 -1.031 13.772 90 HA SER 13 HA SER 13 -9.022 1.252 12.232 91 HB2 SER 13 HB2 SER 13 -9.824 1.664 15.048 92 HB3 SER 13 HB1 SER 13 -10.402 2.453 13.581 93 HG SER 13 HG SER 13 -11.689 0.647 13.170 94 H GLY 14 HN GLY 14 -7.177 2.358 12.390 95 HA2 GLY 14 HA2 GLY 14 -5.674 2.496 14.837 96 HA3 GLY 14 HA1 GLY 14 -4.907 1.480 13.625 97 H ILE 15 HN ILE 15 -3.592 3.678 14.548 98 HA ILE 15 HA ILE 15 -3.919 5.708 12.445 99 HB ILE 15 HB ILE 15 -2.190 5.993 14.893 100 HG12 ILE 15 HG12 ILE 15 -4.428 5.535 15.706 101 HG13 ILE 15 HG11 ILE 15 -4.082 7.250 15.909 102 HG21 ILE 15 HG21 ILE 15 -1.929 8.161 14.295 103 HG22 ILE 15 HG22 ILE 15 -3.541 8.276 13.589 104 HG23 ILE 15 HG23 ILE 15 -2.238 7.501 12.689 105 HD11 ILE 15 HD11 ILE 15 -6.285 6.078 14.649 106 HD12 ILE 15 HD12 ILE 15 -5.316 6.803 13.365 107 HD13 ILE 15 HD13 ILE 15 -5.864 7.789 14.720 108 H ILE 16 HN ILE 16 -2.321 6.130 11.004 109 HA ILE 16 HA ILE 16 -0.013 4.322 11.057 110 HB ILE 16 HB ILE 16 -1.717 4.721 9.030 111 HG12 ILE 16 HG12 ILE 16 0.938 4.409 7.913 112 HG13 ILE 16 HG11 ILE 16 0.764 3.487 9.403 113 HG21 ILE 16 HG21 ILE 16 -0.845 7.171 8.991 114 HG22 ILE 16 HG22 ILE 16 -1.108 6.309 7.475 115 HG23 ILE 16 HG23 ILE 16 0.524 6.473 8.125 116 HD11 ILE 16 HD11 ILE 16 -0.442 3.068 6.771 117 HD12 ILE 16 HD12 ILE 16 -1.543 2.863 8.133 118 HD13 ILE 16 HD13 ILE 16 -0.059 1.914 8.048 119 H ALA 17 HN ALA 17 2.101 5.093 10.637 120 HA ALA 17 HA ALA 17 2.509 7.987 10.788 121 HB1 ALA 17 HB1 ALA 17 3.993 7.885 12.632 122 HB2 ALA 17 HB2 ALA 17 3.996 6.121 12.622 123 HB3 ALA 17 HB3 ALA 17 2.545 6.998 13.107 124 H ILE 18 HN ILE 18 3.996 8.627 9.376 125 HA ILE 18 HA ILE 18 5.705 6.604 8.126 126 HB ILE 18 HB ILE 18 5.284 9.455 7.234 127 HG12 ILE 18 HG12 ILE 18 3.853 6.941 6.339 128 HG13 ILE 18 HG11 ILE 18 3.139 8.263 7.258 129 HG21 ILE 18 HG21 ILE 18 6.144 8.670 5.105 130 HG22 ILE 18 HG22 ILE 18 6.309 7.037 5.752 131 HG23 ILE 18 HG23 ILE 18 7.305 8.344 6.392 132 HD11 ILE 18 HD11 ILE 18 2.809 9.498 5.432 133 HD12 ILE 18 HD12 ILE 18 3.044 7.987 4.554 134 HD13 ILE 18 HD13 ILE 18 4.392 9.105 4.761 135 H ASN 19 HN ASN 19 7.876 6.608 8.287 136 HA ASN 19 HA ASN 19 9.112 8.791 9.833 137 HB2 ASN 19 HB2 ASN 19 9.027 6.519 10.939 138 HB3 ASN 19 HB1 ASN 19 10.107 5.943 9.673 139 HD21 ASN 19 HD21 ASN 19 9.791 8.293 12.274 140 HD22 ASN 19 HD22 ASN 19 11.481 8.423 12.607 141 H GLU 20 HN GLU 20 10.343 10.051 8.617 142 HA GLU 20 HA GLU 20 11.598 8.938 6.212 143 HB2 GLU 20 HB2 GLU 20 10.929 11.743 7.074 144 HB3 GLU 20 HB1 GLU 20 12.038 11.431 5.746 145 HG2 GLU 20 HG2 GLU 20 10.174 10.029 4.732 146 HG3 GLU 20 HG1 GLU 20 9.119 10.776 5.930 147 H ASP 21 HN ASP 21 12.631 8.450 8.898 148 HA ASP 21 HA ASP 21 14.994 10.091 9.163 149 HB2 ASP 21 HB2 ASP 21 13.530 8.742 10.981 150 HB3 ASP 21 HB1 ASP 21 14.784 7.545 10.669 151 H VAL 22 HN VAL 22 14.163 6.885 7.990 152 HA VAL 22 HA VAL 22 16.978 6.440 7.267 153 HB VAL 22 HB VAL 22 15.755 4.719 8.668 154 HG11 VAL 22 HG11 VAL 22 13.815 4.942 6.711 155 HG12 VAL 22 HG12 VAL 22 13.898 3.712 7.971 156 HG13 VAL 22 HG13 VAL 22 14.581 3.389 6.378 157 HG21 VAL 22 HG21 VAL 22 17.220 4.135 6.143 158 HG22 VAL 22 HG22 VAL 22 16.581 2.800 7.099 159 HG23 VAL 22 HG23 VAL 22 17.731 3.928 7.816 160 H SER 23 HN SER 23 17.501 5.698 5.163 161 HA SER 23 HA SER 23 16.379 7.072 3.070 162 HB2 SER 23 HB2 SER 23 17.447 4.604 2.050 163 HB3 SER 23 HB1 SER 23 18.136 6.225 1.981 164 HG SER 23 HG SER 23 18.956 4.170 3.428 165 HA PRO 24 HA PRO 24 13.821 3.203 1.670 166 HB2 PRO 24 HB2 PRO 24 13.755 1.498 4.072 167 HB3 PRO 24 HB1 PRO 24 14.067 1.058 2.390 168 HG2 PRO 24 HG2 PRO 24 16.021 1.066 4.226 169 HG3 PRO 24 HG1 PRO 24 16.319 1.539 2.543 170 HD2 PRO 24 HD2 PRO 24 15.945 3.266 4.959 171 HD3 PRO 24 HD1 PRO 24 17.103 3.435 3.626 172 H ALA 25 HN ALA 25 13.685 4.743 4.732 173 HA ALA 25 HA ALA 25 11.976 5.660 5.922 174 HB1 ALA 25 HB1 ALA 25 10.872 6.746 4.286 175 HB2 ALA 25 HB2 ALA 25 9.659 5.490 4.535 176 HB3 ALA 25 HB3 ALA 25 10.834 5.334 3.230 177 H GLU 26 HN GLU 26 9.671 5.100 6.793 178 HA GLU 26 HA GLU 26 9.013 2.294 6.771 179 HB2 GLU 26 HB2 GLU 26 10.946 2.972 8.551 180 HB3 GLU 26 HB1 GLU 26 9.507 3.235 9.525 181 HG2 GLU 26 HG2 GLU 26 9.632 1.068 9.997 182 HG3 GLU 26 HG1 GLU 26 8.999 0.806 8.372 183 H LEU 27 HN LEU 27 6.904 2.007 7.122 184 HA LEU 27 HA LEU 27 5.368 4.275 8.206 185 HB2 LEU 27 HB2 LEU 27 4.809 3.858 5.906 186 HB3 LEU 27 HB1 LEU 27 4.612 2.143 6.211 187 HG LEU 27 HG LEU 27 2.858 4.071 7.666 188 HD11 LEU 27 HD11 LEU 27 3.044 4.370 5.003 189 HD12 LEU 27 HD12 LEU 27 1.547 4.596 5.908 190 HD13 LEU 27 HD13 LEU 27 1.855 3.069 5.081 191 HD21 LEU 27 HD21 LEU 27 1.466 1.842 6.706 192 HD22 LEU 27 HD22 LEU 27 2.015 2.134 8.355 193 HD23 LEU 27 HD23 LEU 27 3.034 1.232 7.234 194 H THR 28 HN THR 28 4.793 3.920 10.248 195 HA THR 28 HA THR 28 4.311 1.180 11.153 196 HB THR 28 HB THR 28 4.181 3.445 13.064 197 HG1 THR 28 HG1 THR 28 6.526 2.697 11.678 198 HG21 THR 28 HG21 THR 28 5.554 1.963 14.440 199 HG22 THR 28 HG22 THR 28 5.592 0.790 13.124 200 HG23 THR 28 HG23 THR 28 4.063 1.186 13.909 201 H TRP 29 HN TRP 29 2.384 0.477 11.952 202 HA TRP 29 HA TRP 29 0.141 2.379 11.963 203 HB2 TRP 29 HB2 TRP 29 -0.079 1.171 9.901 204 HB3 TRP 29 HB1 TRP 29 0.218 -0.367 10.703 205 HD1 TRP 29 HD1 TRP 29 -2.475 2.428 10.688 206 HE1 TRP 29 HE1 TRP 29 -4.756 1.329 11.147 207 HE3 TRP 29 HE3 TRP 29 -0.918 -2.378 11.474 208 HZ2 TRP 29 HZ2 TRP 29 -5.763 -1.237 11.761 209 HZ3 TRP 29 HZ3 TRP 29 -2.603 -4.094 11.992 210 HH2 TRP 29 HH2 TRP 29 -4.975 -3.534 12.133 211 H ARG 30 HN ARG 30 -0.397 2.516 14.048 212 HA ARG 30 HA ARG 30 -0.475 0.050 15.649 213 HB2 ARG 30 HB2 ARG 30 -0.354 1.486 17.617 214 HB3 ARG 30 HB1 ARG 30 0.984 1.821 16.527 215 HG2 ARG 30 HG2 ARG 30 0.408 3.957 16.900 216 HG3 ARG 30 HG1 ARG 30 -0.802 3.638 15.656 217 HD2 ARG 30 HD2 ARG 30 -2.234 4.404 17.218 218 HD3 ARG 30 HD1 ARG 30 -2.113 2.760 17.843 219 HE ARG 30 HE ARG 30 -0.097 4.459 18.925 220 HH11 ARG 30 HH11 ARG 30 -3.467 3.594 19.202 221 HH12 ARG 30 HH12 ARG 30 -3.576 4.053 20.868 222 HH21 ARG 30 HH21 ARG 30 -0.239 5.062 21.117 223 HH22 ARG 30 HH22 ARG 30 -1.745 4.887 21.955 224 H SER 31 HN SER 31 -2.356 -0.704 16.408 225 HA SER 31 HA SER 31 -4.810 0.211 15.435 226 HB2 SER 31 HB2 SER 31 -5.608 -1.221 17.572 227 HB3 SER 31 HB1 SER 31 -5.029 -1.967 16.083 228 HG SER 31 HG SER 31 -3.871 -1.871 18.577 229 H THR 32 HN THR 32 -6.464 1.417 16.311 230 HA THR 32 HA THR 32 -5.759 3.547 18.010 231 HB THR 32 HB THR 32 -8.513 2.537 17.268 232 HG1 THR 32 HG1 THR 32 -7.491 3.094 15.415 233 HG21 THR 32 HG21 THR 32 -9.425 4.565 17.891 234 HG22 THR 32 HG22 THR 32 -7.857 5.371 17.944 235 HG23 THR 32 HG23 THR 32 -8.300 4.218 19.204 236 H ASP 33 HN ASP 33 -7.664 0.609 18.598 237 HA ASP 33 HA ASP 33 -6.977 0.748 21.418 238 HB2 ASP 33 HB2 ASP 33 -9.875 0.512 20.599 239 HB3 ASP 33 HB1 ASP 33 -9.230 0.652 22.231 240 H GLY 34 HN GLY 34 -5.747 -1.115 20.654 241 HA2 GLY 34 HA2 GLY 34 -7.196 -3.554 21.130 242 HA3 GLY 34 HA1 GLY 34 -6.649 -3.397 19.468 243 H ASP 35 HN ASP 35 -4.783 -4.357 19.057 244 HA ASP 35 HA ASP 35 -2.442 -3.980 20.572 245 HB2 ASP 35 HB2 ASP 35 -4.029 -5.742 21.866 246 HB3 ASP 35 HB1 ASP 35 -3.162 -6.844 20.801 247 H LYS 36 HN LYS 36 -3.260 -3.882 17.853 248 HA LYS 36 HA LYS 36 -1.474 -5.927 16.712 249 HB2 LYS 36 HB2 LYS 36 -4.089 -4.888 15.627 250 HB3 LYS 36 HB1 LYS 36 -2.914 -5.724 14.620 251 HG2 LYS 36 HG2 LYS 36 -3.219 -7.746 15.722 252 HG3 LYS 36 HG1 LYS 36 -3.933 -6.975 17.140 253 HD2 LYS 36 HD2 LYS 36 -5.768 -7.925 16.071 254 HD3 LYS 36 HD1 LYS 36 -5.808 -6.248 15.524 255 HE2 LYS 36 HE2 LYS 36 -4.443 -8.423 13.961 256 HE3 LYS 36 HE1 LYS 36 -6.154 -8.047 13.758 257 HZ1 LYS 36 HZ1 LYS 36 -3.807 -6.509 12.965 258 HZ2 LYS 36 HZ2 LYS 36 -5.146 -5.628 13.505 259 HZ3 LYS 36 HZ3 LYS 36 -5.301 -6.681 12.190 260 H VAL 37 HN VAL 37 0.230 -5.109 15.700 261 HA VAL 37 HA VAL 37 0.020 -2.591 14.257 262 HB VAL 37 HB VAL 37 0.686 -1.915 16.531 263 HG11 VAL 37 HG11 VAL 37 2.088 -4.227 16.638 264 HG12 VAL 37 HG12 VAL 37 2.341 -2.861 17.724 265 HG13 VAL 37 HG13 VAL 37 3.380 -3.071 16.315 266 HG21 VAL 37 HG21 VAL 37 3.092 -1.032 15.668 267 HG22 VAL 37 HG22 VAL 37 1.549 -0.322 15.195 268 HG23 VAL 37 HG23 VAL 37 2.343 -1.489 14.138 269 H HIS 38 HN HIS 38 1.341 -2.492 12.507 270 HA HIS 38 HA HIS 38 3.540 -4.403 12.267 271 HB2 HIS 38 HB2 HIS 38 1.575 -5.521 11.287 272 HB3 HIS 38 HB1 HIS 38 1.338 -4.151 10.208 273 HD1 HIS 38 HD1 HIS 38 3.265 -7.269 10.605 274 HD2 HIS 38 HD2 HIS 38 3.337 -3.903 8.169 275 HE1 HIS 38 HE1 HIS 38 4.750 -7.873 8.668 276 HE2 HIS 38 HE2 HIS 38 4.844 -5.793 7.248 277 H THR 39 HN THR 39 5.119 -3.832 10.723 278 HA THR 39 HA THR 39 4.948 -1.028 9.833 279 HB THR 39 HB THR 39 7.467 -2.604 10.378 280 HG1 THR 39 HG1 THR 39 7.476 -1.772 12.371 281 HG21 THR 39 HG21 THR 39 8.369 -0.883 9.276 282 HG22 THR 39 HG22 THR 39 8.083 -0.005 10.778 283 HG23 THR 39 HG23 THR 39 6.929 0.120 9.450 284 H VAL 40 HN VAL 40 5.649 -0.482 7.769 285 HA VAL 40 HA VAL 40 6.459 -2.647 5.976 286 HB VAL 40 HB VAL 40 4.013 -2.521 5.778 287 HG11 VAL 40 HG11 VAL 40 3.961 0.076 4.440 288 HG12 VAL 40 HG12 VAL 40 4.321 0.169 6.164 289 HG13 VAL 40 HG13 VAL 40 2.844 -0.621 5.613 290 HG21 VAL 40 HG21 VAL 40 5.693 -1.639 3.454 291 HG22 VAL 40 HG22 VAL 40 3.964 -1.936 3.276 292 HG23 VAL 40 HG23 VAL 40 5.033 -3.236 3.804 293 H VAL 41 HN VAL 41 8.274 -1.977 5.048 294 HA VAL 41 HA VAL 41 9.200 0.664 5.020 295 HB VAL 41 HB VAL 41 10.040 -1.508 3.098 296 HG11 VAL 41 HG11 VAL 41 10.989 1.176 3.696 297 HG12 VAL 41 HG12 VAL 41 11.357 0.121 2.331 298 HG13 VAL 41 HG13 VAL 41 12.254 -0.045 3.840 299 HG21 VAL 41 HG21 VAL 41 10.528 -2.667 4.962 300 HG22 VAL 41 HG22 VAL 41 10.415 -1.245 5.998 301 HG23 VAL 41 HG23 VAL 41 11.892 -1.555 5.085 302 H LEU 42 HN LEU 42 8.780 2.351 3.748 303 HA LEU 42 HA LEU 42 6.887 2.080 1.595 304 HB2 LEU 42 HB2 LEU 42 8.279 4.400 2.889 305 HB3 LEU 42 HB1 LEU 42 7.361 4.613 1.410 306 HG LEU 42 HG LEU 42 6.297 3.665 4.069 307 HD11 LEU 42 HD11 LEU 42 4.910 5.727 3.854 308 HD12 LEU 42 HD12 LEU 42 5.896 6.181 2.464 309 HD13 LEU 42 HD13 LEU 42 6.636 6.029 4.057 310 HD21 LEU 42 HD21 LEU 42 4.829 2.528 2.802 311 HD22 LEU 42 HD22 LEU 42 5.230 3.432 1.342 312 HD23 LEU 42 HD23 LEU 42 4.116 4.117 2.525 313 H SER 43 HN SER 43 10.119 1.539 1.692 314 HA SER 43 HA SER 43 10.934 2.911 -0.692 315 HB2 SER 43 HB2 SER 43 12.314 1.873 1.385 316 HB3 SER 43 HB1 SER 43 12.486 0.559 0.223 317 HG SER 43 HG SER 43 14.155 1.953 -0.150 318 H THR 44 HN THR 44 10.023 -0.415 0.129 319 HA THR 44 HA THR 44 10.572 -1.640 -2.301 320 HB THR 44 HB THR 44 10.010 -3.045 -0.493 321 HG1 THR 44 HG1 THR 44 7.692 -3.091 -2.118 322 HG21 THR 44 HG21 THR 44 8.120 -1.088 0.189 323 HG22 THR 44 HG22 THR 44 8.548 -2.548 1.080 324 HG23 THR 44 HG23 THR 44 7.227 -2.583 -0.088 325 H ILE 45 HN ILE 45 7.936 0.456 -1.406 326 HA ILE 45 HA ILE 45 6.238 -0.193 -3.603 327 HB ILE 45 HB ILE 45 6.303 2.241 -1.813 328 HG12 ILE 45 HG12 ILE 45 4.108 1.067 -1.038 329 HG13 ILE 45 HG11 ILE 45 4.809 -0.364 -1.788 330 HG21 ILE 45 HG21 ILE 45 4.204 1.414 -3.816 331 HG22 ILE 45 HG22 ILE 45 5.274 2.809 -3.948 332 HG23 ILE 45 HG23 ILE 45 4.064 2.745 -2.668 333 HD11 ILE 45 HD11 ILE 45 6.195 -0.692 -0.085 334 HD12 ILE 45 HD12 ILE 45 5.198 0.469 0.793 335 HD13 ILE 45 HD13 ILE 45 6.665 1.006 -0.026 336 H ASP 46 HN ASP 46 6.462 0.364 -5.659 337 HA ASP 46 HA ASP 46 8.332 2.527 -6.338 338 HB2 ASP 46 HB2 ASP 46 8.391 -0.002 -7.236 339 HB3 ASP 46 HB1 ASP 46 7.316 0.694 -8.445 340 H LYS 47 HN LYS 47 5.036 1.456 -6.641 341 HA LYS 47 HA LYS 47 4.388 3.986 -7.987 342 HB2 LYS 47 HB2 LYS 47 3.843 2.729 -9.780 343 HB3 LYS 47 HB1 LYS 47 3.825 1.241 -8.849 344 HG2 LYS 47 HG2 LYS 47 1.578 1.638 -8.134 345 HG3 LYS 47 HG1 LYS 47 1.584 3.249 -8.856 346 HD2 LYS 47 HD2 LYS 47 0.399 1.809 -10.342 347 HD3 LYS 47 HD1 LYS 47 1.966 2.150 -11.078 348 HE2 LYS 47 HE2 LYS 47 2.568 -0.075 -9.683 349 HE3 LYS 47 HE1 LYS 47 0.867 -0.380 -10.031 350 HZ1 LYS 47 HZ1 LYS 47 1.711 0.407 -12.419 351 HZ2 LYS 47 HZ2 LYS 47 1.728 -1.210 -11.922 352 HZ3 LYS 47 HZ3 LYS 47 3.141 -0.286 -11.837 353 H LEU 48 HN LEU 48 2.218 4.771 -7.572 354 HA LEU 48 HA LEU 48 1.131 3.775 -5.020 355 HB2 LEU 48 HB2 LEU 48 1.260 6.602 -6.067 356 HB3 LEU 48 HB1 LEU 48 0.363 6.124 -4.638 357 HG LEU 48 HG LEU 48 2.788 5.153 -3.983 358 HD11 LEU 48 HD11 LEU 48 3.218 7.166 -6.092 359 HD12 LEU 48 HD12 LEU 48 4.244 5.832 -5.564 360 HD13 LEU 48 HD13 LEU 48 4.209 7.336 -4.643 361 HD21 LEU 48 HD21 LEU 48 1.930 6.457 -2.350 362 HD22 LEU 48 HD22 LEU 48 1.350 7.680 -3.481 363 HD23 LEU 48 HD23 LEU 48 3.051 7.644 -3.017 364 H GLN 49 HN GLN 49 -1.119 3.783 -4.746 365 HA GLN 49 HA GLN 49 -2.792 4.481 -7.025 366 HB2 GLN 49 HB2 GLN 49 -2.686 1.689 -5.871 367 HB3 GLN 49 HB1 GLN 49 -3.901 2.260 -7.006 368 HG2 GLN 49 HG2 GLN 49 -0.951 2.215 -7.585 369 HG3 GLN 49 HG1 GLN 49 -2.067 0.922 -8.023 370 HE21 GLN 49 HE21 GLN 49 -2.535 0.993 -10.091 371 HE22 GLN 49 HE22 GLN 49 -2.809 2.416 -11.031 372 H ALA 50 HN ALA 50 -4.492 5.552 -6.282 373 HA ALA 50 HA ALA 50 -5.615 4.796 -3.670 374 HB1 ALA 50 HB1 ALA 50 -5.490 7.661 -4.541 375 HB2 ALA 50 HB2 ALA 50 -4.155 6.909 -3.668 376 HB3 ALA 50 HB3 ALA 50 -5.752 7.001 -2.927 377 H THR 51 HN THR 51 -7.853 5.552 -3.355 378 HA THR 51 HA THR 51 -9.340 5.337 -5.867 379 HB THR 51 HB THR 51 -10.815 5.306 -3.308 380 HG1 THR 51 HG1 THR 51 -9.040 3.203 -3.988 381 HG21 THR 51 HG21 THR 51 -11.641 3.124 -4.372 382 HG22 THR 51 HG22 THR 51 -10.819 3.695 -5.824 383 HG23 THR 51 HG23 THR 51 -12.114 4.655 -5.110 384 HA PRO 52 HA PRO 52 -10.482 9.612 -5.728 385 HB2 PRO 52 HB2 PRO 52 -12.747 9.532 -7.222 386 HB3 PRO 52 HB1 PRO 52 -11.130 9.386 -7.921 387 HG2 PRO 52 HG2 PRO 52 -13.105 7.238 -7.250 388 HG3 PRO 52 HG1 PRO 52 -12.088 7.412 -8.692 389 HD2 PRO 52 HD2 PRO 52 -11.454 5.741 -6.661 390 HD3 PRO 52 HD1 PRO 52 -10.221 6.569 -7.633 391 H ALA 53 HN ALA 53 -11.853 11.005 -4.648 392 HA ALA 53 HA ALA 53 -13.236 10.048 -2.420 393 HB1 ALA 53 HB1 ALA 53 -14.042 12.684 -3.493 394 HB2 ALA 53 HB2 ALA 53 -12.331 12.459 -3.128 395 HB3 ALA 53 HB3 ALA 53 -13.540 12.224 -1.866 396 H SER 54 HN SER 54 -14.288 10.565 -5.690 397 HA SER 54 HA SER 54 -17.071 10.707 -5.217 398 HB2 SER 54 HB2 SER 54 -15.533 11.071 -7.406 399 HB3 SER 54 HB1 SER 54 -16.149 9.453 -7.740 400 HG SER 54 HG SER 54 -18.282 10.427 -7.238 401 H SER 55 HN SER 55 -14.824 8.056 -5.417 402 HA SER 55 HA SER 55 -16.572 5.948 -5.959 403 HB2 SER 55 HB2 SER 55 -13.929 6.070 -5.634 404 HB3 SER 55 HB1 SER 55 -14.352 5.497 -4.021 405 HG SER 55 HG SER 55 -14.062 4.020 -6.104 406 H GLU 56 HN GLU 56 -17.437 4.329 -4.506 407 HA GLU 56 HA GLU 56 -19.022 5.411 -2.468 408 HB2 GLU 56 HB2 GLU 56 -18.384 2.672 -3.431 409 HB3 GLU 56 HB1 GLU 56 -19.102 2.811 -1.832 410 HG2 GLU 56 HG2 GLU 56 -21.103 3.510 -2.635 411 HG3 GLU 56 HG1 GLU 56 -20.388 4.319 -4.029 412 H LYS 57 HN LYS 57 -15.987 3.592 -2.320 413 HA LYS 57 HA LYS 57 -15.719 4.440 0.487 414 HB2 LYS 57 HB2 LYS 57 -14.526 2.331 0.947 415 HB3 LYS 57 HB1 LYS 57 -16.189 2.057 0.447 416 HG2 LYS 57 HG2 LYS 57 -15.245 1.697 -1.895 417 HG3 LYS 57 HG1 LYS 57 -13.669 1.591 -1.108 418 HD2 LYS 57 HD2 LYS 57 -14.290 -0.622 -1.137 419 HD3 LYS 57 HD1 LYS 57 -14.904 -0.126 0.441 420 HE2 LYS 57 HE2 LYS 57 -16.528 -1.471 -0.848 421 HE3 LYS 57 HE1 LYS 57 -17.125 0.141 -0.455 422 HZ1 LYS 57 HZ1 LYS 57 -17.336 -0.854 -2.862 423 HZ2 LYS 57 HZ2 LYS 57 -15.772 -0.229 -3.023 424 HZ3 LYS 57 HZ3 LYS 57 -17.054 0.797 -2.616 425 H MET 58 HN MET 58 -13.842 5.391 1.034 426 HA MET 58 HA MET 58 -11.871 5.777 -1.091 427 HB2 MET 58 HB2 MET 58 -11.921 7.164 1.584 428 HB3 MET 58 HB1 MET 58 -11.118 7.684 0.109 429 HG2 MET 58 HG2 MET 58 -12.901 9.050 -0.011 430 HG3 MET 58 HG1 MET 58 -13.629 7.642 -0.782 431 HE1 MET 58 HE1 MET 58 -12.558 8.802 2.539 432 HE2 MET 58 HE2 MET 58 -13.669 7.992 3.644 433 HE3 MET 58 HE3 MET 58 -14.022 9.625 3.077 434 H MET 59 HN MET 59 -10.025 4.688 -1.110 435 HA MET 59 HA MET 59 -8.711 3.961 1.373 436 HB2 MET 59 HB2 MET 59 -9.346 1.826 -0.667 437 HB3 MET 59 HB1 MET 59 -8.547 1.610 0.884 438 HG2 MET 59 HG2 MET 59 -10.698 2.456 1.935 439 HG3 MET 59 HG1 MET 59 -11.428 2.237 0.346 440 HE1 MET 59 HE1 MET 59 -10.688 -0.198 -0.974 441 HE2 MET 59 HE2 MET 59 -12.373 0.012 -0.495 442 HE3 MET 59 HE3 MET 59 -11.554 -1.520 -0.191 443 H LEU 60 HN LEU 60 -6.501 3.523 1.139 444 HA LEU 60 HA LEU 60 -5.403 4.255 -1.495 445 HB2 LEU 60 HB2 LEU 60 -4.876 5.874 0.236 446 HB3 LEU 60 HB1 LEU 60 -4.236 4.607 1.266 447 HG LEU 60 HG LEU 60 -2.468 4.196 -0.471 448 HD11 LEU 60 HD11 LEU 60 -3.356 5.078 -2.446 449 HD12 LEU 60 HD12 LEU 60 -2.090 6.217 -1.987 450 HD13 LEU 60 HD13 LEU 60 -3.782 6.608 -1.678 451 HD21 LEU 60 HD21 LEU 60 -1.442 6.619 0.019 452 HD22 LEU 60 HD22 LEU 60 -1.532 5.347 1.238 453 HD23 LEU 60 HD23 LEU 60 -2.753 6.619 1.198 454 H ARG 61 HN ARG 61 -3.821 3.017 -2.423 455 HA ARG 61 HA ARG 61 -2.862 0.669 -0.956 456 HB2 ARG 61 HB2 ARG 61 -4.787 -0.097 -2.247 457 HB3 ARG 61 HB1 ARG 61 -4.103 0.593 -3.712 458 HG2 ARG 61 HG2 ARG 61 -2.093 -0.985 -3.171 459 HG3 ARG 61 HG1 ARG 61 -3.295 -1.850 -2.212 460 HD2 ARG 61 HD2 ARG 61 -4.231 -1.121 -4.881 461 HD3 ARG 61 HD1 ARG 61 -2.832 -2.194 -4.896 462 HE ARG 61 HE ARG 61 -4.711 -3.187 -3.068 463 HH11 ARG 61 HH11 ARG 61 -4.316 -2.743 -6.507 464 HH12 ARG 61 HH12 ARG 61 -5.329 -4.084 -6.923 465 HH21 ARG 61 HH21 ARG 61 -6.044 -4.951 -3.613 466 HH22 ARG 61 HH22 ARG 61 -6.311 -5.337 -5.280 467 H LEU 62 HN LEU 62 -0.824 -0.019 -1.504 468 HA LEU 62 HA LEU 62 0.592 1.610 -3.511 469 HB2 LEU 62 HB2 LEU 62 1.864 0.370 -1.080 470 HB3 LEU 62 HB1 LEU 62 2.555 1.559 -2.166 471 HG LEU 62 HG LEU 62 2.023 2.745 -0.208 472 HD11 LEU 62 HD11 LEU 62 0.883 4.449 -1.123 473 HD12 LEU 62 HD12 LEU 62 -0.499 3.438 -1.543 474 HD13 LEU 62 HD13 LEU 62 0.929 3.454 -2.579 475 HD21 LEU 62 HD21 LEU 62 -0.823 1.850 -0.184 476 HD22 LEU 62 HD22 LEU 62 0.180 2.452 1.137 477 HD23 LEU 62 HD23 LEU 62 0.422 0.817 0.519 478 H ILE 63 HN ILE 63 1.992 0.593 -4.901 479 HA ILE 63 HA ILE 63 1.870 -2.349 -4.886 480 HB ILE 63 HB ILE 63 2.527 -0.611 -7.260 481 HG12 ILE 63 HG12 ILE 63 0.274 -0.053 -6.514 482 HG13 ILE 63 HG11 ILE 63 0.197 -1.002 -7.995 483 HG21 ILE 63 HG21 ILE 63 3.296 -2.762 -7.693 484 HG22 ILE 63 HG22 ILE 63 1.689 -2.754 -8.419 485 HG23 ILE 63 HG23 ILE 63 1.944 -3.520 -6.851 486 HD11 ILE 63 HD11 ILE 63 -0.652 -1.694 -5.247 487 HD12 ILE 63 HD12 ILE 63 -0.028 -2.991 -6.267 488 HD13 ILE 63 HD13 ILE 63 -1.419 -2.043 -6.796 489 H GLY 64 HN GLY 64 3.680 -3.428 -4.473 490 HA2 GLY 64 HA2 GLY 64 6.136 -2.149 -3.936 491 HA3 GLY 64 HA1 GLY 64 5.900 -3.882 -4.101 492 H LYS 65 HN LYS 65 8.180 -3.412 -5.006 493 HA LYS 65 HA LYS 65 8.351 -2.305 -7.631 494 HB2 LYS 65 HB2 LYS 65 10.183 -3.658 -5.741 495 HB3 LYS 65 HB1 LYS 65 10.596 -3.797 -7.445 496 HG2 LYS 65 HG2 LYS 65 11.162 -1.625 -7.626 497 HG3 LYS 65 HG1 LYS 65 9.902 -1.092 -6.511 498 HD2 LYS 65 HD2 LYS 65 11.534 -2.471 -4.836 499 HD3 LYS 65 HD1 LYS 65 12.701 -1.831 -5.995 500 HE2 LYS 65 HE2 LYS 65 11.285 0.384 -5.598 501 HE3 LYS 65 HE1 LYS 65 10.960 -0.408 -4.057 502 HZ1 LYS 65 HZ1 LYS 65 13.085 1.121 -4.499 503 HZ2 LYS 65 HZ2 LYS 65 13.736 -0.384 -4.913 504 HZ3 LYS 65 HZ3 LYS 65 13.074 -0.143 -3.375 505 H VAL 66 HN VAL 66 9.363 -3.688 -9.434 506 HA VAL 66 HA VAL 66 8.113 -6.348 -9.526 507 HB VAL 66 HB VAL 66 7.618 -5.871 -11.980 508 HG11 VAL 66 HG11 VAL 66 6.007 -5.879 -9.948 509 HG12 VAL 66 HG12 VAL 66 5.453 -5.219 -11.487 510 HG13 VAL 66 HG13 VAL 66 5.964 -4.133 -10.194 511 HG21 VAL 66 HG21 VAL 66 7.366 -3.002 -11.348 512 HG22 VAL 66 HG22 VAL 66 7.796 -3.800 -12.861 513 HG23 VAL 66 HG23 VAL 66 9.008 -3.594 -11.597 514 H ASP 67 HN ASP 67 9.332 -7.917 -10.419 515 HA ASP 67 HA ASP 67 11.302 -7.574 -12.379 516 HB2 ASP 67 HB2 ASP 67 12.293 -6.465 -10.190 517 HB3 ASP 67 HB1 ASP 67 12.660 -8.137 -9.779 518 H GLU 68 HN GLU 68 10.026 -9.416 -13.002 519 HA GLU 68 HA GLU 68 9.821 -11.788 -11.532 520 HB2 GLU 68 HB2 GLU 68 9.248 -12.860 -13.645 521 HB3 GLU 68 HB1 GLU 68 8.451 -11.298 -13.512 522 HG2 GLU 68 HG2 GLU 68 9.201 -10.976 -15.587 523 HG3 GLU 68 HG1 GLU 68 10.738 -10.614 -14.801 524 H SER 69 HN SER 69 12.400 -10.519 -13.507 525 HA SER 69 HA SER 69 13.854 -13.036 -13.473 526 HB2 SER 69 HB2 SER 69 13.763 -11.103 -15.341 527 HB3 SER 69 HB1 SER 69 15.171 -10.553 -14.433 528 HG SER 69 HG SER 69 14.803 -13.127 -15.575 529 H LYS 70 HN LYS 70 13.498 -12.411 -10.930 530 HA LYS 70 HA LYS 70 16.015 -11.158 -10.051 531 HB2 LYS 70 HB2 LYS 70 13.262 -10.999 -9.061 532 HB3 LYS 70 HB1 LYS 70 14.440 -11.326 -7.797 533 HG2 LYS 70 HG2 LYS 70 15.725 -9.350 -8.536 534 HG3 LYS 70 HG1 LYS 70 14.455 -9.003 -9.711 535 HD2 LYS 70 HD2 LYS 70 12.830 -8.844 -7.855 536 HD3 LYS 70 HD1 LYS 70 14.148 -9.104 -6.710 537 HE2 LYS 70 HE2 LYS 70 15.158 -7.061 -8.151 538 HE3 LYS 70 HE1 LYS 70 13.435 -6.709 -8.278 539 HZ1 LYS 70 HZ1 LYS 70 14.874 -5.836 -6.280 540 HZ2 LYS 70 HZ2 LYS 70 14.506 -7.355 -5.634 541 HZ3 LYS 70 HZ3 LYS 70 13.260 -6.295 -6.065 542 H LYS 71 HN LYS 71 13.688 -13.647 -8.979 543 HA LYS 71 HA LYS 71 15.788 -15.585 -8.674 544 HB2 LYS 71 HB2 LYS 71 15.435 -15.954 -6.260 545 HB3 LYS 71 HB1 LYS 71 16.107 -14.365 -6.600 546 HG2 LYS 71 HG2 LYS 71 13.506 -13.740 -6.588 547 HG3 LYS 71 HG1 LYS 71 13.480 -15.118 -5.487 548 HD2 LYS 71 HD2 LYS 71 15.575 -13.041 -5.100 549 HD3 LYS 71 HD1 LYS 71 13.921 -12.659 -4.621 550 HE2 LYS 71 HE2 LYS 71 13.939 -14.842 -3.334 551 HE3 LYS 71 HE1 LYS 71 15.678 -14.887 -3.622 552 HZ1 LYS 71 HZ1 LYS 71 14.136 -13.182 -1.845 553 HZ2 LYS 71 HZ2 LYS 71 15.415 -12.430 -2.657 554 HZ3 LYS 71 HZ3 LYS 71 15.711 -13.778 -1.679 555 H ARG 72 HN ARG 72 15.029 -17.671 -8.584 556 HA ARG 72 HA ARG 72 12.196 -18.159 -8.165 557 HB2 ARG 72 HB2 ARG 72 13.577 -18.472 -10.808 558 HB3 ARG 72 HB1 ARG 72 12.257 -19.551 -10.377 559 HG2 ARG 72 HG2 ARG 72 11.155 -17.147 -9.802 560 HG3 ARG 72 HG1 ARG 72 12.212 -16.721 -11.149 561 HD2 ARG 72 HD2 ARG 72 10.248 -19.005 -11.207 562 HD3 ARG 72 HD1 ARG 72 9.889 -17.386 -11.804 563 HE ARG 72 HE ARG 72 12.146 -18.039 -13.135 564 HH11 ARG 72 HH11 ARG 72 9.091 -19.667 -12.696 565 HH12 ARG 72 HH12 ARG 72 9.160 -20.475 -14.226 566 HH21 ARG 72 HH21 ARG 72 12.238 -19.101 -15.148 567 HH22 ARG 72 HH22 ARG 72 10.946 -20.154 -15.618 568 H LYS 73 HN LYS 73 11.738 -20.244 -7.532 569 HA LYS 73 HA LYS 73 12.117 -22.298 -6.634 570 HB2 LYS 73 HB2 LYS 73 14.168 -22.234 -8.828 571 HB3 LYS 73 HB1 LYS 73 14.064 -23.608 -7.736 572 HG2 LYS 73 HG2 LYS 73 11.538 -22.730 -8.985 573 HG3 LYS 73 HG1 LYS 73 12.738 -23.466 -10.050 574 HD2 LYS 73 HD2 LYS 73 12.114 -24.801 -7.461 575 HD3 LYS 73 HD1 LYS 73 10.951 -24.933 -8.782 576 HE2 LYS 73 HE2 LYS 73 12.264 -26.772 -9.183 577 HE3 LYS 73 HE1 LYS 73 13.076 -25.564 -10.179 578 HZ1 LYS 73 HZ1 LYS 73 14.516 -26.999 -8.688 579 HZ2 LYS 73 HZ2 LYS 73 13.909 -26.098 -7.392 580 HZ3 LYS 73 HZ3 LYS 73 14.781 -25.328 -8.620 581 H ASP 74 HN ASP 74 12.755 -22.306 -4.584 582 HA ASP 74 HA ASP 74 14.964 -20.931 -3.558 583 HB2 ASP 74 HB2 ASP 74 13.058 -22.959 -2.525 584 HB3 ASP 74 HB1 ASP 74 14.565 -22.768 -1.634 585 H ASN 75 HN ASN 75 14.697 -24.452 -3.225 586 HA ASN 75 HA ASN 75 16.948 -25.169 -4.713 587 HB2 ASN 75 HB2 ASN 75 17.521 -24.112 -2.031 588 HB3 ASN 75 HB1 ASN 75 18.233 -25.691 -2.345 589 HD21 ASN 75 HD21 ASN 75 18.760 -22.471 -2.526 590 HD22 ASN 75 HD22 ASN 75 19.976 -22.438 -3.753 591 H GLU 76 HN GLU 76 15.476 -25.878 -1.544 592 HA GLU 76 HA GLU 76 15.580 -28.731 -2.132 593 HB2 GLU 76 HB2 GLU 76 16.023 -27.418 0.172 594 HB3 GLU 76 HB1 GLU 76 14.306 -27.746 0.359 595 HG2 GLU 76 HG2 GLU 76 14.656 -30.093 0.198 596 HG3 GLU 76 HG1 GLU 76 16.339 -29.867 -0.275 597 H GLY 77 HN GLY 77 13.917 -27.545 -3.892 598 HA2 GLY 77 HA2 GLY 77 11.820 -27.872 -4.785 599 HA3 GLY 77 HA1 GLY 77 11.451 -28.887 -3.398 600 H ASN 78 HN ASN 78 11.191 -25.742 -4.798 601 HA ASN 78 HA ASN 78 8.954 -25.034 -3.264 602 HB2 ASN 78 HB2 ASN 78 11.572 -24.248 -2.162 603 HB3 ASN 78 HB1 ASN 78 10.403 -22.938 -2.288 604 HD21 ASN 78 HD21 ASN 78 11.591 -25.071 -0.212 605 HD22 ASN 78 HD22 ASN 78 10.215 -25.348 0.795 606 H GLU 79 HN GLU 79 7.874 -24.011 -4.807 607 HA GLU 79 HA GLU 79 9.292 -22.370 -6.750 608 HB2 GLU 79 HB2 GLU 79 6.440 -23.341 -6.577 609 HB3 GLU 79 HB1 GLU 79 6.998 -22.231 -7.821 610 HG2 GLU 79 HG2 GLU 79 8.652 -24.619 -7.560 611 HG3 GLU 79 HG1 GLU 79 6.980 -24.954 -8.005 612 H VAL 80 HN VAL 80 9.444 -20.238 -6.587 613 HA VAL 80 HA VAL 80 7.302 -18.631 -5.545 614 HB VAL 80 HB VAL 80 8.363 -19.297 -3.443 615 HG11 VAL 80 HG11 VAL 80 10.557 -19.758 -3.614 616 HG12 VAL 80 HG12 VAL 80 10.756 -18.046 -3.244 617 HG13 VAL 80 HG13 VAL 80 10.806 -18.598 -4.918 618 HG21 VAL 80 HG21 VAL 80 8.929 -16.985 -2.611 619 HG22 VAL 80 HG22 VAL 80 7.371 -17.143 -3.422 620 HG23 VAL 80 HG23 VAL 80 8.740 -16.428 -4.273 621 H VAL 81 HN VAL 81 7.458 -16.485 -6.141 622 HA VAL 81 HA VAL 81 9.884 -15.658 -7.576 623 HB VAL 81 HB VAL 81 7.082 -15.197 -8.608 624 HG11 VAL 81 HG11 VAL 81 8.146 -14.305 -10.576 625 HG12 VAL 81 HG12 VAL 81 9.743 -14.682 -9.930 626 HG13 VAL 81 HG13 VAL 81 8.748 -13.447 -9.157 627 HG21 VAL 81 HG21 VAL 81 7.556 -17.516 -8.878 628 HG22 VAL 81 HG22 VAL 81 9.188 -17.177 -9.454 629 HG23 VAL 81 HG23 VAL 81 7.796 -16.747 -10.447 630 HA PRO 82 HA PRO 82 9.347 -12.019 -5.079 631 HB2 PRO 82 HB2 PRO 82 10.969 -10.325 -6.450 632 HB3 PRO 82 HB1 PRO 82 11.586 -11.613 -5.408 633 HG2 PRO 82 HG2 PRO 82 11.246 -11.587 -8.385 634 HG3 PRO 82 HG1 PRO 82 12.623 -12.160 -7.424 635 HD2 PRO 82 HD2 PRO 82 10.798 -13.854 -8.447 636 HD3 PRO 82 HD1 PRO 82 11.575 -14.149 -6.878 637 H LYS 83 HN LYS 83 7.087 -12.259 -6.337 638 HA LYS 83 HA LYS 83 6.567 -10.360 -8.392 639 HB2 LYS 83 HB2 LYS 83 4.186 -10.849 -7.922 640 HB3 LYS 83 HB1 LYS 83 5.145 -12.306 -8.139 641 HG2 LYS 83 HG2 LYS 83 5.309 -12.014 -5.463 642 HG3 LYS 83 HG1 LYS 83 3.720 -11.312 -5.770 643 HD2 LYS 83 HD2 LYS 83 3.608 -13.548 -7.305 644 HD3 LYS 83 HD1 LYS 83 4.631 -14.100 -5.976 645 HE2 LYS 83 HE2 LYS 83 1.933 -12.786 -5.669 646 HE3 LYS 83 HE1 LYS 83 2.234 -14.520 -5.573 647 HZ1 LYS 83 HZ1 LYS 83 2.173 -12.994 -3.442 648 HZ2 LYS 83 HZ2 LYS 83 3.806 -12.783 -3.829 649 HZ3 LYS 83 HZ3 LYS 83 3.199 -14.336 -3.545 650 HA PRO 84 HA PRO 84 6.029 -6.580 -6.201 651 HB2 PRO 84 HB2 PRO 84 3.745 -5.584 -7.359 652 HB3 PRO 84 HB1 PRO 84 5.345 -5.517 -8.104 653 HG2 PRO 84 HG2 PRO 84 3.114 -7.453 -8.576 654 HG3 PRO 84 HG1 PRO 84 4.195 -6.680 -9.751 655 HD2 PRO 84 HD2 PRO 84 4.563 -9.219 -8.958 656 HD3 PRO 84 HD1 PRO 84 5.935 -8.144 -9.303 657 H GLN 85 HN GLN 85 5.279 -6.173 -4.224 658 HA GLN 85 HA GLN 85 3.067 -7.693 -3.170 659 HB2 GLN 85 HB2 GLN 85 4.863 -5.612 -1.917 660 HB3 GLN 85 HB1 GLN 85 3.617 -6.491 -1.044 661 HG2 GLN 85 HG2 GLN 85 4.755 -8.596 -1.543 662 HG3 GLN 85 HG1 GLN 85 6.009 -7.708 -2.407 663 HE21 GLN 85 HE21 GLN 85 6.776 -5.737 -0.944 664 HE22 GLN 85 HE22 GLN 85 7.275 -6.213 0.640 665 H ARG 86 HN ARG 86 1.050 -7.073 -3.559 666 HA ARG 86 HA ARG 86 0.443 -4.221 -3.832 667 HB2 ARG 86 HB2 ARG 86 -1.097 -6.712 -4.553 668 HB3 ARG 86 HB1 ARG 86 -1.803 -5.103 -4.624 669 HG2 ARG 86 HG2 ARG 86 -0.915 -4.747 -6.619 670 HG3 ARG 86 HG1 ARG 86 0.701 -5.115 -6.012 671 HD2 ARG 86 HD2 ARG 86 0.663 -7.224 -6.812 672 HD3 ARG 86 HD1 ARG 86 -1.048 -7.442 -6.445 673 HE ARG 86 HE ARG 86 0.064 -6.717 -8.945 674 HH11 ARG 86 HH11 ARG 86 -2.676 -6.089 -6.876 675 HH12 ARG 86 HH12 ARG 86 -3.729 -5.674 -8.187 676 HH21 ARG 86 HH21 ARG 86 -1.320 -6.172 -10.670 677 HH22 ARG 86 HH22 ARG 86 -2.960 -5.722 -10.341 678 H HIS 87 HN HIS 87 0.301 -3.451 -1.766 679 HA HIS 87 HA HIS 87 -1.617 -4.776 0.032 680 HB2 HIS 87 HB2 HIS 87 -0.441 -3.220 1.767 681 HB3 HIS 87 HB1 HIS 87 0.366 -4.692 1.236 682 HD1 HIS 87 HD1 HIS 87 2.180 -4.273 -0.775 683 HD2 HIS 87 HD2 HIS 87 1.064 -0.979 1.499 684 HE1 HIS 87 HE1 HIS 87 3.969 -2.550 -1.164 685 HE2 HIS 87 HE2 HIS 87 3.318 -0.598 0.290 686 H MET 88 HN MET 88 -3.362 -3.695 0.790 687 HA MET 88 HA MET 88 -3.665 -0.880 -0.025 688 HB2 MET 88 HB2 MET 88 -6.144 -1.417 -0.203 689 HB3 MET 88 HB1 MET 88 -5.110 -2.071 -1.464 690 HG2 MET 88 HG2 MET 88 -6.541 -3.820 -0.934 691 HG3 MET 88 HG1 MET 88 -5.056 -4.206 -0.069 692 HE1 MET 88 HE1 MET 88 -8.901 -2.555 1.870 693 HE2 MET 88 HE2 MET 88 -8.738 -2.980 0.166 694 HE3 MET 88 HE3 MET 88 -7.890 -1.574 0.809 695 H PHE 89 HN PHE 89 -4.866 0.470 1.349 696 HA PHE 89 HA PHE 89 -5.419 -0.617 4.027 697 HB2 PHE 89 HB2 PHE 89 -3.969 1.937 3.325 698 HB3 PHE 89 HB1 PHE 89 -4.625 1.614 4.927 699 HD1 PHE 89 HD2 PHE 89 -2.459 -0.045 2.380 700 HD2 PHE 89 HD1 PHE 89 -3.199 0.746 6.495 701 HE1 PHE 89 HE2 PHE 89 -0.393 -1.242 2.977 702 HE2 PHE 89 HE1 PHE 89 -1.134 -0.448 7.100 703 HZ PHE 89 HZ PHE 89 0.271 -1.444 5.340 704 H SER 90 HN SER 90 -7.198 0.204 5.086 705 HA SER 90 HA SER 90 -9.115 1.585 3.398 706 HB2 SER 90 HB2 SER 90 -9.233 -0.074 5.844 707 HB3 SER 90 HB1 SER 90 -10.441 1.206 5.733 708 HG SER 90 HG SER 90 -11.416 0.138 4.204 709 H PHE 91 HN PHE 91 -10.106 3.539 3.888 710 HA PHE 91 HA PHE 91 -9.038 5.072 6.144 711 HB2 PHE 91 HB2 PHE 91 -8.871 5.814 3.240 712 HB3 PHE 91 HB1 PHE 91 -8.972 7.069 4.470 713 HD1 PHE 91 HD2 PHE 91 -7.022 4.017 3.603 714 HD2 PHE 91 HD1 PHE 91 -7.035 7.855 5.441 715 HE1 PHE 91 HE2 PHE 91 -4.595 3.847 3.965 716 HE2 PHE 91 HE1 PHE 91 -4.607 7.693 5.805 717 HZ PHE 91 HZ PHE 91 -3.384 5.687 5.068 718 H ASN 92 HN ASN 92 -10.263 7.227 6.326 719 HA ASN 92 HA ASN 92 -13.019 7.044 5.379 720 HB2 ASN 92 HB2 ASN 92 -12.159 6.952 8.253 721 HB3 ASN 92 HB1 ASN 92 -13.704 7.677 7.816 722 HD21 ASN 92 HD21 ASN 92 -12.446 4.986 8.984 723 HD22 ASN 92 HD22 ASN 92 -13.533 3.805 8.344 724 H ASN 93 HN ASN 93 -10.814 8.791 4.737 725 HA ASN 93 HA ASN 93 -12.159 11.308 5.108 726 HB2 ASN 93 HB2 ASN 93 -9.651 10.654 6.582 727 HB3 ASN 93 HB1 ASN 93 -9.814 12.275 5.912 728 HD21 ASN 93 HD21 ASN 93 -11.258 13.689 6.798 729 HD22 ASN 93 HD22 ASN 93 -12.120 13.374 8.261 730 H ARG 94 HN ARG 94 -12.154 12.073 3.106 731 HA ARG 94 HA ARG 94 -10.383 11.277 1.079 732 HB2 ARG 94 HB2 ARG 94 -11.318 13.322 -0.132 733 HB3 ARG 94 HB1 ARG 94 -12.474 12.100 0.378 734 HG2 ARG 94 HG2 ARG 94 -13.264 13.429 2.146 735 HG3 ARG 94 HG1 ARG 94 -11.887 14.528 2.041 736 HD2 ARG 94 HD2 ARG 94 -12.783 15.698 0.328 737 HD3 ARG 94 HD1 ARG 94 -13.512 14.270 -0.404 738 HE ARG 94 HE ARG 94 -15.451 14.751 0.700 739 HH11 ARG 94 HH11 ARG 94 -12.840 16.479 2.243 740 HH12 ARG 94 HH12 ARG 94 -13.886 17.365 3.302 741 HH21 ARG 94 HH21 ARG 94 -16.827 15.916 2.091 742 HH22 ARG 94 HH22 ARG 94 -16.149 17.045 3.216 743 H THR 95 HN THR 95 -10.325 13.987 3.310 744 HA THR 95 HA THR 95 -8.176 15.356 2.013 745 HB THR 95 HB THR 95 -9.788 16.528 3.456 746 HG1 THR 95 HG1 THR 95 -8.197 17.848 3.694 747 HG21 THR 95 HG21 THR 95 -9.863 14.614 5.173 748 HG22 THR 95 HG22 THR 95 -9.961 16.279 5.745 749 HG23 THR 95 HG23 THR 95 -8.441 15.393 5.867 750 H VAL 96 HN VAL 96 -8.437 13.115 4.733 751 HA VAL 96 HA VAL 96 -5.657 13.246 5.403 752 HB VAL 96 HB VAL 96 -7.618 11.074 6.145 753 HG11 VAL 96 HG11 VAL 96 -5.981 11.257 8.239 754 HG12 VAL 96 HG12 VAL 96 -4.871 11.801 6.982 755 HG13 VAL 96 HG13 VAL 96 -5.638 10.218 6.856 756 HG21 VAL 96 HG21 VAL 96 -8.300 12.316 8.005 757 HG22 VAL 96 HG22 VAL 96 -8.305 13.485 6.685 758 HG23 VAL 96 HG23 VAL 96 -6.972 13.465 7.840 759 H MET 97 HN MET 97 -7.680 11.090 3.480 760 HA MET 97 HA MET 97 -5.809 9.050 3.047 761 HB2 MET 97 HB2 MET 97 -8.315 9.098 2.486 762 HB3 MET 97 HB1 MET 97 -7.842 9.910 1.000 763 HG2 MET 97 HG2 MET 97 -6.263 7.914 0.658 764 HG3 MET 97 HG1 MET 97 -7.241 7.119 1.891 765 HE1 MET 97 HE1 MET 97 -6.736 8.519 -1.368 766 HE2 MET 97 HE2 MET 97 -8.335 9.097 -1.835 767 HE3 MET 97 HE3 MET 97 -7.764 7.528 -2.403 768 H ASP 98 HN ASP 98 -6.214 12.181 1.555 769 HA ASP 98 HA ASP 98 -4.494 11.666 -0.672 770 HB2 ASP 98 HB2 ASP 98 -5.840 14.065 0.483 771 HB3 ASP 98 HB1 ASP 98 -4.486 14.321 -0.614 772 H ASN 99 HN ASN 99 -4.074 12.849 2.586 773 HA ASN 99 HA ASN 99 -1.552 14.037 2.332 774 HB2 ASN 99 HB2 ASN 99 -3.295 13.772 4.371 775 HB3 ASN 99 HB1 ASN 99 -2.115 12.550 4.835 776 HD21 ASN 99 HD21 ASN 99 -2.802 15.890 4.574 777 HD22 ASN 99 HD22 ASN 99 -1.321 16.478 5.240 778 H ILE 100 HN ILE 100 -2.471 10.683 3.008 779 HA ILE 100 HA ILE 100 0.172 9.726 3.378 780 HB ILE 100 HB ILE 100 -2.224 8.131 2.467 781 HG12 ILE 100 HG12 ILE 100 -2.702 9.434 4.521 782 HG13 ILE 100 HG11 ILE 100 -2.673 7.699 4.819 783 HG21 ILE 100 HG21 ILE 100 -0.951 6.347 3.819 784 HG22 ILE 100 HG22 ILE 100 0.439 7.418 3.639 785 HG23 ILE 100 HG23 ILE 100 -0.360 6.763 2.210 786 HD11 ILE 100 HD11 ILE 100 -0.109 9.050 5.231 787 HD12 ILE 100 HD12 ILE 100 -0.939 7.850 6.221 788 HD13 ILE 100 HD13 ILE 100 -1.400 9.549 6.324 789 H LYS 101 HN LYS 101 -2.059 9.418 0.610 790 HA LYS 101 HA LYS 101 -0.235 8.200 -1.131 791 HB2 LYS 101 HB2 LYS 101 -2.679 8.274 -1.500 792 HB3 LYS 101 HB1 LYS 101 -2.563 9.995 -1.840 793 HG2 LYS 101 HG2 LYS 101 -0.773 8.351 -3.461 794 HG3 LYS 101 HG1 LYS 101 -2.486 8.003 -3.701 795 HD2 LYS 101 HD2 LYS 101 -1.656 10.853 -3.635 796 HD3 LYS 101 HD1 LYS 101 -1.219 9.906 -5.059 797 HE2 LYS 101 HE2 LYS 101 -3.813 9.186 -4.732 798 HE3 LYS 101 HE1 LYS 101 -3.849 10.847 -4.141 799 HZ1 LYS 101 HZ1 LYS 101 -4.293 10.894 -6.455 800 HZ2 LYS 101 HZ2 LYS 101 -2.966 9.907 -6.812 801 HZ3 LYS 101 HZ3 LYS 101 -2.720 11.485 -6.253 802 H MET 102 HN MET 102 -0.759 11.551 -0.298 803 HA MET 102 HA MET 102 0.805 12.609 -2.457 804 HB2 MET 102 HB2 MET 102 -0.970 13.934 -1.407 805 HB3 MET 102 HB1 MET 102 -0.106 13.896 0.124 806 HG2 MET 102 HG2 MET 102 1.731 15.151 -0.879 807 HG3 MET 102 HG1 MET 102 0.867 15.187 -2.415 808 HE1 MET 102 HE1 MET 102 -2.260 15.695 -0.596 809 HE2 MET 102 HE2 MET 102 -1.749 15.764 -2.282 810 HE3 MET 102 HE3 MET 102 -2.322 17.223 -1.473 811 H THR 103 HN THR 103 1.348 11.991 0.990 812 HA THR 103 HA THR 103 3.970 13.041 1.082 813 HB THR 103 HB THR 103 2.692 10.932 2.833 814 HG1 THR 103 HG1 THR 103 1.645 13.037 2.708 815 HG21 THR 103 HG21 THR 103 5.296 11.432 2.881 816 HG22 THR 103 HG22 THR 103 4.360 11.125 4.344 817 HG23 THR 103 HG23 THR 103 4.747 12.781 3.875 818 H LEU 104 HN LEU 104 2.718 9.773 0.541 819 HA LEU 104 HA LEU 104 5.155 8.408 0.511 820 HB2 LEU 104 HB2 LEU 104 2.431 7.915 -0.540 821 HB3 LEU 104 HB1 LEU 104 3.722 6.971 -1.259 822 HG LEU 104 HG LEU 104 4.286 6.596 1.353 823 HD11 LEU 104 HD11 LEU 104 1.319 7.052 1.165 824 HD12 LEU 104 HD12 LEU 104 2.470 7.811 2.265 825 HD13 LEU 104 HD13 LEU 104 2.073 6.102 2.446 826 HD21 LEU 104 HD21 LEU 104 4.178 4.659 0.180 827 HD22 LEU 104 HD22 LEU 104 2.700 5.121 -0.664 828 HD23 LEU 104 HD23 LEU 104 2.621 4.542 1.000 829 H GLN 105 HN GLN 105 3.423 10.082 -2.079 830 HA GLN 105 HA GLN 105 5.040 9.309 -4.222 831 HB2 GLN 105 HB2 GLN 105 3.192 11.575 -3.678 832 HB3 GLN 105 HB1 GLN 105 4.293 11.742 -5.038 833 HG2 GLN 105 HG2 GLN 105 3.300 9.235 -5.430 834 HG3 GLN 105 HG1 GLN 105 1.915 10.074 -4.732 835 HE21 GLN 105 HE21 GLN 105 2.414 12.632 -5.743 836 HE22 GLN 105 HE22 GLN 105 2.180 12.600 -7.454 837 H GLN 106 HN GLN 106 5.523 11.706 -1.734 838 HA GLN 106 HA GLN 106 7.725 12.996 -3.062 839 HB2 GLN 106 HB2 GLN 106 6.354 13.251 -0.434 840 HB3 GLN 106 HB1 GLN 106 8.010 13.830 -0.539 841 HG2 GLN 106 HG2 GLN 106 6.306 14.717 -2.739 842 HG3 GLN 106 HG1 GLN 106 5.785 15.277 -1.150 843 HE21 GLN 106 HE21 GLN 106 8.975 14.724 -2.598 844 HE22 GLN 106 HE22 GLN 106 9.576 16.317 -2.303 845 H ILE 107 HN ILE 107 7.305 10.477 -0.652 846 HA ILE 107 HA ILE 107 10.042 10.323 0.115 847 HB ILE 107 HB ILE 107 7.964 8.143 0.318 848 HG12 ILE 107 HG12 ILE 107 8.651 10.032 2.545 849 HG13 ILE 107 HG11 ILE 107 7.460 10.501 1.336 850 HG21 ILE 107 HG21 ILE 107 10.700 8.529 1.377 851 HG22 ILE 107 HG22 ILE 107 9.859 7.050 0.914 852 HG23 ILE 107 HG23 ILE 107 9.511 7.812 2.465 853 HD11 ILE 107 HD11 ILE 107 6.061 9.566 2.837 854 HD12 ILE 107 HD12 ILE 107 7.296 8.485 3.483 855 HD13 ILE 107 HD13 ILE 107 6.494 8.098 1.960 856 H ILE 108 HN ILE 108 8.050 8.608 -2.250 857 HA ILE 108 HA ILE 108 10.125 6.795 -3.023 858 HB ILE 108 HB ILE 108 7.655 7.520 -4.598 859 HG12 ILE 108 HG12 ILE 108 7.897 5.186 -2.711 860 HG13 ILE 108 HG11 ILE 108 7.317 6.753 -2.156 861 HG21 ILE 108 HG21 ILE 108 8.789 6.241 -6.077 862 HG22 ILE 108 HG22 ILE 108 8.106 4.929 -5.117 863 HG23 ILE 108 HG23 ILE 108 9.761 5.464 -4.828 864 HD11 ILE 108 HD11 ILE 108 5.309 6.457 -3.076 865 HD12 ILE 108 HD12 ILE 108 5.764 4.755 -3.156 866 HD13 ILE 108 HD13 ILE 108 5.981 5.793 -4.565 867 H SER 109 HN SER 109 9.043 9.947 -4.072 868 HA SER 109 HA SER 109 10.578 9.917 -6.509 869 HB2 SER 109 HB2 SER 109 8.627 11.263 -6.581 870 HB3 SER 109 HB1 SER 109 9.022 12.055 -5.056 871 HG SER 109 HG SER 109 10.688 13.137 -6.077 872 H ARG 110 HN ARG 110 11.018 10.992 -3.216 873 HA ARG 110 HA ARG 110 13.234 12.689 -3.637 874 HB2 ARG 110 HB2 ARG 110 11.974 11.344 -1.318 875 HB3 ARG 110 HB1 ARG 110 13.659 11.808 -1.121 876 HG2 ARG 110 HG2 ARG 110 12.715 14.095 -2.117 877 HG3 ARG 110 HG1 ARG 110 11.241 13.488 -1.360 878 HD2 ARG 110 HD2 ARG 110 12.562 13.152 0.739 879 HD3 ARG 110 HD1 ARG 110 13.908 13.978 -0.045 880 HE ARG 110 HE ARG 110 12.832 15.975 0.279 881 HH11 ARG 110 HH11 ARG 110 10.576 13.368 0.820 882 HH12 ARG 110 HH12 ARG 110 9.337 14.402 1.447 883 HH21 ARG 110 HH21 ARG 110 11.204 17.338 1.104 884 HH22 ARG 110 HH22 ARG 110 9.693 16.656 1.608 885 H TYR 111 HN TYR 111 12.919 9.227 -3.311 886 HA TYR 111 HA TYR 111 15.819 8.888 -3.196 887 HB2 TYR 111 HB2 TYR 111 13.761 6.687 -3.218 888 HB3 TYR 111 HB1 TYR 111 15.419 6.619 -2.632 889 HD1 TYR 111 HD1 TYR 111 15.427 9.173 -1.027 890 HD2 TYR 111 HD2 TYR 111 12.577 6.025 -1.293 891 HE1 TYR 111 HE1 TYR 111 14.644 9.698 1.244 892 HE2 TYR 111 HE2 TYR 111 11.786 6.542 0.978 893 HH TYR 111 HH TYR 111 12.700 9.395 2.638 894 H LYS 112 HN LYS 112 13.858 9.584 -5.603 895 HA LYS 112 HA LYS 112 14.611 7.485 -7.462 896 HB2 LYS 112 HB2 LYS 112 12.816 9.872 -7.564 897 HB3 LYS 112 HB1 LYS 112 13.406 9.191 -9.074 898 HG2 LYS 112 HG2 LYS 112 12.263 7.281 -7.137 899 HG3 LYS 112 HG1 LYS 112 11.138 8.414 -7.890 900 HD2 LYS 112 HD2 LYS 112 12.315 7.699 -10.098 901 HD3 LYS 112 HD1 LYS 112 12.836 6.300 -9.157 902 HE2 LYS 112 HE2 LYS 112 10.757 5.418 -9.070 903 HE3 LYS 112 HE1 LYS 112 9.979 6.995 -8.951 904 HZ1 LYS 112 HZ1 LYS 112 10.068 7.288 -11.252 905 HZ2 LYS 112 HZ2 LYS 112 9.603 5.672 -11.064 906 HZ3 LYS 112 HZ3 LYS 112 11.201 6.050 -11.473 907 H ASP 113 HN ASP 113 14.724 11.022 -7.838 908 HA ASP 113 HA ASP 113 17.517 10.784 -8.717 909 HB2 ASP 113 HB2 ASP 113 15.609 11.000 -10.563 910 HB3 ASP 113 HB1 ASP 113 15.757 12.708 -10.157 911 H ALA 114 HN ALA 114 15.736 11.974 -6.399 912 HA ALA 114 HA ALA 114 16.685 14.731 -6.464 913 HB1 ALA 114 HB1 ALA 114 15.413 14.568 -4.108 914 HB2 ALA 114 HB2 ALA 114 14.614 13.251 -4.968 915 HB3 ALA 114 HB3 ALA 114 14.587 14.884 -5.635 916 H ASP 115 HN ASP 115 16.500 12.432 -3.760 917 HA ASP 115 HA ASP 115 18.907 13.495 -2.610 918 HB2 ASP 115 HB2 ASP 115 16.723 12.346 -1.526 919 HB3 ASP 115 HB1 ASP 115 17.793 10.948 -1.578 920 H1 ASP 453 HN ASP 453 -15.394 -13.034 -4.250 921 HA ASP 453 HA ASP 453 -17.288 -12.709 -6.446 922 HB2 ASP 453 HB2 ASP 453 -18.107 -13.239 -3.584 923 HB3 ASP 453 HB1 ASP 453 -19.199 -12.634 -4.826 924 H LEU 454 HN LEU 454 -16.296 -11.564 -3.231 925 HA LEU 454 HA LEU 454 -16.957 -8.824 -4.058 926 HB2 LEU 454 HB2 LEU 454 -16.728 -10.188 -1.410 927 HB3 LEU 454 HB1 LEU 454 -16.462 -8.457 -1.502 928 HG LEU 454 HG LEU 454 -18.762 -8.395 -2.700 929 HD11 LEU 454 HD11 LEU 454 -20.186 -10.169 -2.512 930 HD12 LEU 454 HD12 LEU 454 -19.365 -10.823 -1.095 931 HD13 LEU 454 HD13 LEU 454 -18.658 -11.028 -2.697 932 HD21 LEU 454 HD21 LEU 454 -19.638 -7.683 -0.745 933 HD22 LEU 454 HD22 LEU 454 -17.976 -7.866 -0.187 934 HD23 LEU 454 HD23 LEU 454 -19.156 -9.138 0.128 935 H ASP 455 HN ASP 455 -14.351 -10.902 -3.016 936 HA ASP 455 HA ASP 455 -12.413 -8.967 -2.434 937 HB2 ASP 455 HB2 ASP 455 -12.086 -11.760 -3.549 938 HB3 ASP 455 HB1 ASP 455 -10.766 -10.776 -2.924 939 H GLU 456 HN GLU 456 -13.567 -10.244 -5.473 940 HA GLU 456 HA GLU 456 -11.474 -9.441 -7.148 941 HB2 GLU 456 HB2 GLU 456 -13.589 -10.877 -7.641 942 HB3 GLU 456 HB1 GLU 456 -14.340 -9.336 -8.031 943 HG2 GLU 456 HG2 GLU 456 -12.261 -9.014 -9.557 944 HG3 GLU 456 HG1 GLU 456 -12.122 -10.766 -9.419 945 H SER 457 HN SER 457 -14.235 -7.673 -5.874 946 HA SER 457 HA SER 457 -13.999 -5.376 -7.483 947 HB2 SER 457 HB2 SER 457 -15.052 -5.548 -4.649 948 HB3 SER 457 HB1 SER 457 -15.398 -4.275 -5.820 949 HG SER 457 HG SER 457 -16.987 -6.067 -5.554 950 H TRP 458 HN TRP 458 -12.340 -6.406 -4.586 951 HA TRP 458 HA TRP 458 -11.240 -3.926 -3.830 952 HB2 TRP 458 HB2 TRP 458 -10.930 -6.711 -3.086 953 HB3 TRP 458 HB1 TRP 458 -9.377 -5.881 -3.095 954 HD1 TRP 458 HD1 TRP 458 -8.893 -5.381 -0.624 955 HE1 TRP 458 HE1 TRP 458 -10.168 -4.244 1.301 956 HE3 TRP 458 HE3 TRP 458 -13.409 -4.713 -2.924 957 HZ2 TRP 458 HZ2 TRP 458 -12.747 -3.201 1.780 958 HZ3 TRP 458 HZ3 TRP 458 -15.228 -3.638 -1.663 959 HH2 TRP 458 HH2 TRP 458 -14.902 -2.898 0.641 960 H ASP 459 HN ASP 459 -10.339 -6.256 -6.259 961 HA ASP 459 HA ASP 459 -7.721 -5.134 -6.695 962 HB2 ASP 459 HB2 ASP 459 -8.367 -7.557 -7.107 963 HB3 ASP 459 HB1 ASP 459 -9.225 -6.993 -8.538 964 H TYR 460 HN TYR 460 -10.930 -4.711 -7.980 965 HA TYR 460 HA TYR 460 -10.000 -3.176 -10.259 966 HB2 TYR 460 HB2 TYR 460 -12.643 -4.163 -9.290 967 HB3 TYR 460 HB1 TYR 460 -12.621 -2.775 -10.372 968 HD1 TYR 460 HD2 TYR 460 -10.700 -5.984 -10.226 969 HD2 TYR 460 HD1 TYR 460 -13.167 -3.388 -12.523 970 HE1 TYR 460 HE2 TYR 460 -10.489 -7.497 -12.152 971 HE2 TYR 460 HE1 TYR 460 -12.963 -4.895 -14.455 972 HH TYR 460 HH TYR 460 -11.490 -6.615 -15.302 973 H ILE 461 HN ILE 461 -11.588 -2.613 -7.157 974 HA ILE 461 HA ILE 461 -12.212 0.089 -7.471 975 HB ILE 461 HB ILE 461 -13.026 -1.270 -5.593 976 HG12 ILE 461 HG12 ILE 461 -11.450 1.169 -4.739 977 HG13 ILE 461 HG11 ILE 461 -13.074 1.176 -5.418 978 HG21 ILE 461 HG21 ILE 461 -10.753 -2.375 -5.249 979 HG22 ILE 461 HG22 ILE 461 -11.687 -1.979 -3.806 980 HG23 ILE 461 HG23 ILE 461 -10.340 -0.951 -4.294 981 HD11 ILE 461 HD11 ILE 461 -12.214 0.054 -2.766 982 HD12 ILE 461 HD12 ILE 461 -13.823 -0.155 -3.456 983 HD13 ILE 461 HD13 ILE 461 -13.237 1.460 -3.060 984 H PHE 462 HN PHE 462 -9.179 -1.481 -6.727 985 HA PHE 462 HA PHE 462 -7.891 1.088 -6.190 986 HB2 PHE 462 HB2 PHE 462 -7.121 -1.775 -5.783 987 HB3 PHE 462 HB1 PHE 462 -5.856 -0.555 -5.893 988 HD1 PHE 462 HD1 PHE 462 -6.324 1.592 -4.385 989 HD2 PHE 462 HD2 PHE 462 -7.916 -2.294 -3.700 990 HE1 PHE 462 HE1 PHE 462 -6.654 2.150 -2.012 991 HE2 PHE 462 HE2 PHE 462 -8.251 -1.743 -1.326 992 HZ PHE 462 HZ PHE 462 -7.620 0.482 -0.479 993 H GLU 463 HN GLU 463 -7.708 -1.641 -8.443 994 HA GLU 463 HA GLU 463 -5.557 -0.723 -9.982 995 HB2 GLU 463 HB2 GLU 463 -6.429 -3.007 -10.136 996 HB3 GLU 463 HB1 GLU 463 -7.922 -2.401 -10.838 997 HG2 GLU 463 HG2 GLU 463 -6.395 -1.412 -12.664 998 HG3 GLU 463 HG1 GLU 463 -5.192 -2.543 -12.046 999 H THR 464 HN THR 464 -8.948 0.117 -10.013 1000 HA THR 464 HA THR 464 -8.932 1.449 -12.530 1001 HB THR 464 HB THR 464 -11.074 2.474 -11.675 1002 HG1 THR 464 HG1 THR 464 -10.674 2.472 -9.478 1003 HG21 THR 464 HG21 THR 464 -11.569 0.579 -12.848 1004 HG22 THR 464 HG22 THR 464 -12.196 0.156 -11.255 1005 HG23 THR 464 HG23 THR 464 -10.629 -0.463 -11.779 1006 H THR 465 HN THR 465 -7.466 3.038 -12.790 1007 HA THR 465 HA THR 465 -7.871 5.510 -11.403 1008 HB THR 465 HB THR 465 -6.456 4.363 -9.762 1009 HG1 THR 465 HG1 THR 465 -4.787 5.935 -9.717 1010 HG21 THR 465 HG21 THR 465 -3.937 4.349 -10.964 1011 HG22 THR 465 HG22 THR 465 -5.006 3.487 -12.070 1012 HG23 THR 465 HG23 THR 465 -4.869 2.965 -10.391 Start of MODEL 17 1 H2 PRO 1 HT1 PRO 1 4.829 13.144 14.096 2 H3 PRO 1 HT2 PRO 1 6.259 12.554 13.534 3 HA PRO 1 HA PRO 1 5.431 11.613 11.874 4 HB2 PRO 1 HB2 PRO 1 2.819 10.749 12.542 5 HB3 PRO 1 HB1 PRO 1 4.269 9.753 12.366 6 HG2 PRO 1 HG2 PRO 1 3.049 10.902 14.819 7 HG3 PRO 1 HG1 PRO 1 3.947 9.388 14.609 8 HD2 PRO 1 HD2 PRO 1 5.076 11.479 15.817 9 HD3 PRO 1 HD1 PRO 1 6.018 10.458 14.713 10 H SER 2 HN SER 2 5.025 13.215 10.488 11 HA SER 2 HA SER 2 3.039 15.231 11.032 12 HB2 SER 2 HB2 SER 2 5.159 14.800 8.996 13 HB3 SER 2 HB1 SER 2 3.784 15.791 8.511 14 HG SER 2 HG SER 2 4.215 17.178 10.209 15 H HIS 3 HN HIS 3 3.551 13.211 8.137 16 HA HIS 3 HA HIS 3 0.804 13.464 7.360 17 HB2 HIS 3 HB2 HIS 3 3.056 11.761 6.280 18 HB3 HIS 3 HB1 HIS 3 1.455 11.849 5.553 19 HD1 HIS 3 HD1 HIS 3 0.751 14.317 4.691 20 HD2 HIS 3 HD2 HIS 3 4.788 13.691 5.451 21 HE1 HIS 3 HE1 HIS 3 1.954 16.182 3.509 22 HE2 HIS 3 HE2 HIS 3 4.401 15.736 3.915 23 H SER 4 HN SER 4 -0.682 12.479 8.589 24 HA SER 4 HA SER 4 -0.439 9.583 8.950 25 HB2 SER 4 HB2 SER 4 -0.317 11.535 11.067 26 HB3 SER 4 HB1 SER 4 -1.753 10.529 11.262 27 HG SER 4 HG SER 4 -0.457 8.716 11.278 28 H GLY 5 HN GLY 5 -2.478 8.499 9.281 29 HA2 GLY 5 HA2 GLY 5 -4.949 9.929 9.102 30 HA3 GLY 5 HA1 GLY 5 -4.491 9.230 7.556 31 H ALA 6 HN ALA 6 -6.726 8.658 9.464 32 HA ALA 6 HA ALA 6 -6.312 6.163 10.698 33 HB1 ALA 6 HB1 ALA 6 -8.307 7.968 10.756 34 HB2 ALA 6 HB2 ALA 6 -8.474 6.308 11.326 35 HB3 ALA 6 HB3 ALA 6 -9.027 6.745 9.709 36 H ALA 7 HN ALA 7 -5.426 4.591 9.446 37 HA ALA 7 HA ALA 7 -6.904 3.823 7.013 38 HB1 ALA 7 HB1 ALA 7 -4.373 4.587 6.981 39 HB2 ALA 7 HB2 ALA 7 -4.962 3.292 5.938 40 HB3 ALA 7 HB3 ALA 7 -4.111 2.902 7.433 41 H ILE 8 HN ILE 8 -7.606 1.752 6.802 42 HA ILE 8 HA ILE 8 -7.277 0.024 9.151 43 HB ILE 8 HB ILE 8 -9.295 -0.287 6.931 44 HG12 ILE 8 HG12 ILE 8 -10.873 0.618 8.769 45 HG13 ILE 8 HG11 ILE 8 -9.411 1.259 9.512 46 HG21 ILE 8 HG21 ILE 8 -10.182 -2.010 8.097 47 HG22 ILE 8 HG22 ILE 8 -9.762 -1.312 9.662 48 HG23 ILE 8 HG23 ILE 8 -8.532 -2.138 8.706 49 HD11 ILE 8 HD11 ILE 8 -9.329 2.960 8.090 50 HD12 ILE 8 HD12 ILE 8 -10.970 2.510 7.626 51 HD13 ILE 8 HD13 ILE 8 -9.596 1.915 6.695 52 H PHE 9 HN PHE 9 -5.966 -1.664 9.028 53 HA PHE 9 HA PHE 9 -5.475 -2.883 6.392 54 HB2 PHE 9 HB2 PHE 9 -3.566 -1.484 7.480 55 HB3 PHE 9 HB1 PHE 9 -3.387 -2.870 8.551 56 HD1 PHE 9 HD2 PHE 9 -3.888 -2.346 4.885 57 HD2 PHE 9 HD1 PHE 9 -1.684 -4.278 7.971 58 HE1 PHE 9 HE2 PHE 9 -2.506 -3.471 3.188 59 HE2 PHE 9 HE1 PHE 9 -0.297 -5.405 6.280 60 HZ PHE 9 HZ PHE 9 -0.708 -5.003 3.885 61 H GLU 10 HN GLU 10 -5.653 -5.050 6.269 62 HA GLU 10 HA GLU 10 -6.123 -7.197 6.850 63 HB2 GLU 10 HB2 GLU 10 -4.890 -6.468 9.512 64 HB3 GLU 10 HB1 GLU 10 -5.134 -8.092 8.884 65 HG2 GLU 10 HG2 GLU 10 -3.503 -7.776 7.192 66 HG3 GLU 10 HG1 GLU 10 -3.400 -6.048 7.528 67 H LYS 11 HN LYS 11 -8.097 -5.140 7.265 68 HA LYS 11 HA LYS 11 -10.212 -4.951 8.081 69 HB2 LYS 11 HB2 LYS 11 -9.762 -7.645 9.373 70 HB3 LYS 11 HB1 LYS 11 -11.307 -6.886 9.013 71 HG2 LYS 11 HG2 LYS 11 -11.239 -8.221 7.211 72 HG3 LYS 11 HG1 LYS 11 -10.226 -6.937 6.550 73 HD2 LYS 11 HD2 LYS 11 -8.328 -8.174 6.698 74 HD3 LYS 11 HD1 LYS 11 -8.860 -9.011 8.158 75 HE2 LYS 11 HE2 LYS 11 -9.027 -10.744 6.703 76 HE3 LYS 11 HE1 LYS 11 -10.621 -10.035 6.445 77 HZ1 LYS 11 HZ1 LYS 11 -8.454 -9.006 4.794 78 HZ2 LYS 11 HZ2 LYS 11 -10.068 -9.314 4.393 79 HZ3 LYS 11 HZ3 LYS 11 -8.959 -10.588 4.469 80 H VAL 12 HN VAL 12 -7.896 -4.005 9.577 81 HA VAL 12 HA VAL 12 -9.101 -3.951 12.266 82 HB VAL 12 HB VAL 12 -6.145 -3.810 11.651 83 HG11 VAL 12 HG11 VAL 12 -7.674 -3.791 14.249 84 HG12 VAL 12 HG12 VAL 12 -6.651 -2.511 13.598 85 HG13 VAL 12 HG13 VAL 12 -5.931 -4.031 14.128 86 HG21 VAL 12 HG21 VAL 12 -6.807 -6.050 11.292 87 HG22 VAL 12 HG22 VAL 12 -7.871 -6.039 12.698 88 HG23 VAL 12 HG23 VAL 12 -6.121 -6.001 12.916 89 H SER 13 HN SER 13 -9.514 -1.995 13.086 90 HA SER 13 HA SER 13 -9.036 0.327 11.441 91 HB2 SER 13 HB2 SER 13 -10.294 0.258 14.189 92 HB3 SER 13 HB1 SER 13 -10.483 1.498 12.950 93 HG SER 13 HG SER 13 -12.200 -0.198 13.224 94 H GLY 14 HN GLY 14 -7.068 1.213 11.483 95 HA2 GLY 14 HA2 GLY 14 -5.964 1.961 14.095 96 HA3 GLY 14 HA1 GLY 14 -4.946 1.039 12.998 97 H ILE 15 HN ILE 15 -3.957 3.373 13.780 98 HA ILE 15 HA ILE 15 -4.546 5.288 11.624 99 HB ILE 15 HB ILE 15 -2.921 5.869 14.093 100 HG12 ILE 15 HG12 ILE 15 -5.107 5.158 14.864 101 HG13 ILE 15 HG11 ILE 15 -4.983 6.908 15.020 102 HG21 ILE 15 HG21 ILE 15 -4.015 8.199 13.408 103 HG22 ILE 15 HG22 ILE 15 -4.005 7.429 11.822 104 HG23 ILE 15 HG23 ILE 15 -2.498 7.623 12.718 105 HD11 ILE 15 HD11 ILE 15 -7.156 5.932 14.113 106 HD12 ILE 15 HD12 ILE 15 -6.255 5.642 12.625 107 HD13 ILE 15 HD13 ILE 15 -6.436 7.285 13.240 108 H ILE 16 HN ILE 16 -3.026 5.819 10.152 109 HA ILE 16 HA ILE 16 -0.466 4.400 10.327 110 HB ILE 16 HB ILE 16 -2.219 4.464 8.263 111 HG12 ILE 16 HG12 ILE 16 0.688 4.331 7.589 112 HG13 ILE 16 HG11 ILE 16 0.033 3.184 8.752 113 HG21 ILE 16 HG21 ILE 16 -1.615 6.949 8.006 114 HG22 ILE 16 HG22 ILE 16 -1.632 5.939 6.561 115 HG23 ILE 16 HG23 ILE 16 -0.098 6.360 7.324 116 HD11 ILE 16 HD11 ILE 16 -1.781 2.947 6.783 117 HD12 ILE 16 HD12 ILE 16 -0.328 1.955 6.911 118 HD13 ILE 16 HD13 ILE 16 -0.346 3.360 5.845 119 H ALA 17 HN ALA 17 1.484 5.436 10.225 120 HA ALA 17 HA ALA 17 1.452 8.370 10.043 121 HB1 ALA 17 HB1 ALA 17 1.689 7.149 12.432 122 HB2 ALA 17 HB2 ALA 17 2.432 8.701 12.048 123 HB3 ALA 17 HB3 ALA 17 3.383 7.220 11.949 124 H ILE 18 HN ILE 18 2.829 9.086 8.564 125 HA ILE 18 HA ILE 18 4.903 7.285 7.564 126 HB ILE 18 HB ILE 18 4.075 9.948 6.415 127 HG12 ILE 18 HG12 ILE 18 3.102 7.177 5.681 128 HG13 ILE 18 HG11 ILE 18 2.150 8.413 6.499 129 HG21 ILE 18 HG21 ILE 18 5.990 9.557 5.294 130 HG22 ILE 18 HG22 ILE 18 4.974 8.470 4.347 131 HG23 ILE 18 HG23 ILE 18 5.972 7.830 5.653 132 HD11 ILE 18 HD11 ILE 18 1.846 9.628 4.601 133 HD12 ILE 18 HD12 ILE 18 1.971 8.011 3.907 134 HD13 ILE 18 HD13 ILE 18 3.364 9.092 3.880 135 H ASN 19 HN ASN 19 7.039 7.657 7.767 136 HA ASN 19 HA ASN 19 7.857 10.144 9.121 137 HB2 ASN 19 HB2 ASN 19 8.029 7.833 10.345 138 HB3 ASN 19 HB1 ASN 19 9.452 7.613 9.330 139 HD21 ASN 19 HD21 ASN 19 9.875 7.589 11.936 140 HD22 ASN 19 HD22 ASN 19 10.618 9.052 12.476 141 H GLU 20 HN GLU 20 9.123 11.416 7.955 142 HA GLU 20 HA GLU 20 10.539 10.272 5.653 143 HB2 GLU 20 HB2 GLU 20 9.585 13.049 6.304 144 HB3 GLU 20 HB1 GLU 20 10.782 12.767 5.047 145 HG2 GLU 20 HG2 GLU 20 8.163 11.318 5.048 146 HG3 GLU 20 HG1 GLU 20 8.317 12.940 4.375 147 H ASP 21 HN ASP 21 11.476 10.127 8.455 148 HA ASP 21 HA ASP 21 13.719 11.946 8.600 149 HB2 ASP 21 HB2 ASP 21 12.704 9.719 10.351 150 HB3 ASP 21 HB1 ASP 21 14.280 10.453 10.633 151 H VAL 22 HN VAL 22 13.157 8.527 7.944 152 HA VAL 22 HA VAL 22 15.989 8.027 7.542 153 HB VAL 22 HB VAL 22 14.572 6.318 8.615 154 HG11 VAL 22 HG11 VAL 22 12.668 6.938 6.837 155 HG12 VAL 22 HG12 VAL 22 12.718 5.402 7.702 156 HG13 VAL 22 HG13 VAL 22 13.342 5.508 6.056 157 HG21 VAL 22 HG21 VAL 22 16.521 5.939 6.679 158 HG22 VAL 22 HG22 VAL 22 15.245 4.801 6.246 159 HG23 VAL 22 HG23 VAL 22 15.959 4.754 7.857 160 H SER 23 HN SER 23 16.942 7.483 5.578 161 HA SER 23 HA SER 23 16.251 8.910 3.341 162 HB2 SER 23 HB2 SER 23 17.572 6.730 2.263 163 HB3 SER 23 HB1 SER 23 18.334 8.174 2.927 164 HG SER 23 HG SER 23 19.004 7.046 4.569 165 HA PRO 24 HA PRO 24 14.169 5.104 1.203 166 HB2 PRO 24 HB2 PRO 24 13.672 2.925 2.782 167 HB3 PRO 24 HB1 PRO 24 15.117 3.107 1.781 168 HG2 PRO 24 HG2 PRO 24 14.762 3.631 4.708 169 HG3 PRO 24 HG1 PRO 24 16.101 2.823 3.870 170 HD2 PRO 24 HD2 PRO 24 16.293 5.372 4.687 171 HD3 PRO 24 HD1 PRO 24 17.038 4.824 3.172 172 H ALA 25 HN ALA 25 13.425 6.376 4.272 173 HA ALA 25 HA ALA 25 11.479 7.018 5.259 174 HB1 ALA 25 HB1 ALA 25 9.497 7.309 3.852 175 HB2 ALA 25 HB2 ALA 25 10.284 6.406 2.558 176 HB3 ALA 25 HB3 ALA 25 10.942 7.958 3.077 177 H GLU 26 HN GLU 26 9.325 6.203 5.996 178 HA GLU 26 HA GLU 26 8.785 3.395 5.568 179 HB2 GLU 26 HB2 GLU 26 9.933 4.441 8.134 180 HB3 GLU 26 HB1 GLU 26 8.834 3.069 8.154 181 HG2 GLU 26 HG2 GLU 26 10.334 1.881 6.602 182 HG3 GLU 26 HG1 GLU 26 11.453 3.241 6.684 183 H LEU 27 HN LEU 27 6.777 2.704 6.464 184 HA LEU 27 HA LEU 27 5.017 4.910 7.314 185 HB2 LEU 27 HB2 LEU 27 4.452 4.358 5.054 186 HB3 LEU 27 HB1 LEU 27 4.457 2.641 5.410 187 HG LEU 27 HG LEU 27 2.517 4.394 6.848 188 HD11 LEU 27 HD11 LEU 27 1.716 3.227 4.234 189 HD12 LEU 27 HD12 LEU 27 2.580 4.764 4.244 190 HD13 LEU 27 HD13 LEU 27 1.051 4.606 5.109 191 HD21 LEU 27 HD21 LEU 27 1.849 2.408 7.575 192 HD22 LEU 27 HD22 LEU 27 3.027 1.600 6.540 193 HD23 LEU 27 HD23 LEU 27 1.417 1.967 5.922 194 H THR 28 HN THR 28 4.379 4.607 9.340 195 HA THR 28 HA THR 28 4.260 1.888 10.417 196 HB THR 28 HB THR 28 3.927 4.434 11.992 197 HG1 THR 28 HG1 THR 28 6.120 4.512 12.234 198 HG21 THR 28 HG21 THR 28 5.414 2.619 13.442 199 HG22 THR 28 HG22 THR 28 4.181 1.632 12.657 200 HG23 THR 28 HG23 THR 28 3.706 3.000 13.665 201 H TRP 29 HN TRP 29 2.449 1.121 11.564 202 HA TRP 29 HA TRP 29 -0.040 2.637 11.283 203 HB2 TRP 29 HB2 TRP 29 -0.029 1.213 9.331 204 HB3 TRP 29 HB1 TRP 29 0.391 -0.192 10.303 205 HD1 TRP 29 HD1 TRP 29 -2.574 2.090 9.466 206 HE1 TRP 29 HE1 TRP 29 -4.745 0.899 10.164 207 HE3 TRP 29 HE3 TRP 29 -0.553 -1.931 11.893 208 HZ2 TRP 29 HZ2 TRP 29 -5.503 -1.435 11.558 209 HZ3 TRP 29 HZ3 TRP 29 -2.071 -3.597 12.880 210 HH2 TRP 29 HH2 TRP 29 -4.494 -3.352 12.716 211 H ARG 30 HN ARG 30 -0.690 2.859 13.322 212 HA ARG 30 HA ARG 30 -0.350 0.607 15.178 213 HB2 ARG 30 HB2 ARG 30 -0.861 2.357 16.935 214 HB3 ARG 30 HB1 ARG 30 0.651 2.566 16.062 215 HG2 ARG 30 HG2 ARG 30 -1.662 3.952 14.896 216 HG3 ARG 30 HG1 ARG 30 -1.155 4.528 16.485 217 HD2 ARG 30 HD2 ARG 30 1.238 4.399 15.353 218 HD3 ARG 30 HD1 ARG 30 0.282 4.595 13.885 219 HE ARG 30 HE ARG 30 -0.086 6.774 14.464 220 HH11 ARG 30 HH11 ARG 30 1.017 5.042 17.286 221 HH12 ARG 30 HH12 ARG 30 1.159 6.468 18.259 222 HH21 ARG 30 HH21 ARG 30 0.100 8.650 15.742 223 HH22 ARG 30 HH22 ARG 30 0.638 8.516 17.383 224 H SER 31 HN SER 31 -2.056 -0.442 16.009 225 HA SER 31 HA SER 31 -4.599 -0.217 14.860 226 HB2 SER 31 HB2 SER 31 -5.322 -1.715 16.758 227 HB3 SER 31 HB1 SER 31 -3.939 -2.306 15.837 228 HG SER 31 HG SER 31 -2.590 -1.688 17.484 229 H THR 32 HN THR 32 -6.512 0.690 15.535 230 HA THR 32 HA THR 32 -6.315 3.041 17.138 231 HB THR 32 HB THR 32 -8.767 1.648 16.045 232 HG1 THR 32 HG1 THR 32 -7.134 3.709 14.992 233 HG21 THR 32 HG21 THR 32 -8.760 4.561 16.412 234 HG22 THR 32 HG22 THR 32 -8.837 3.601 17.889 235 HG23 THR 32 HG23 THR 32 -10.056 3.385 16.632 236 H ASP 33 HN ASP 33 -8.580 0.313 17.518 237 HA ASP 33 HA ASP 33 -8.441 0.721 20.426 238 HB2 ASP 33 HB2 ASP 33 -10.668 0.879 19.158 239 HB3 ASP 33 HB1 ASP 33 -10.553 -0.870 18.980 240 H GLY 34 HN GLY 34 -6.456 -0.770 18.894 241 HA2 GLY 34 HA2 GLY 34 -6.782 -3.368 20.251 242 HA3 GLY 34 HA1 GLY 34 -6.241 -3.298 18.581 243 H ASP 35 HN ASP 35 -4.302 -4.366 19.152 244 HA ASP 35 HA ASP 35 -2.297 -2.541 20.248 245 HB2 ASP 35 HB2 ASP 35 -3.032 -5.216 21.354 246 HB3 ASP 35 HB1 ASP 35 -1.338 -4.736 21.378 247 H LYS 36 HN LYS 36 -3.029 -3.640 17.569 248 HA LYS 36 HA LYS 36 -0.615 -5.184 16.947 249 HB2 LYS 36 HB2 LYS 36 -3.219 -4.776 15.499 250 HB3 LYS 36 HB1 LYS 36 -1.803 -5.418 14.676 251 HG2 LYS 36 HG2 LYS 36 -3.092 -6.626 17.110 252 HG3 LYS 36 HG1 LYS 36 -3.305 -7.184 15.449 253 HD2 LYS 36 HD2 LYS 36 -0.667 -7.250 15.512 254 HD3 LYS 36 HD1 LYS 36 -0.947 -7.406 17.248 255 HE2 LYS 36 HE2 LYS 36 -2.479 -9.312 16.757 256 HE3 LYS 36 HE1 LYS 36 -1.998 -9.200 15.064 257 HZ1 LYS 36 HZ1 LYS 36 -0.305 -9.912 17.388 258 HZ2 LYS 36 HZ2 LYS 36 0.343 -9.510 15.879 259 HZ3 LYS 36 HZ3 LYS 36 -0.664 -10.860 16.033 260 H VAL 37 HN VAL 37 1.024 -4.329 15.853 261 HA VAL 37 HA VAL 37 0.629 -1.985 14.176 262 HB VAL 37 HB VAL 37 1.095 -1.044 16.408 263 HG11 VAL 37 HG11 VAL 37 3.909 -1.882 16.411 264 HG12 VAL 37 HG12 VAL 37 2.749 -3.160 16.773 265 HG13 VAL 37 HG13 VAL 37 2.777 -1.691 17.749 266 HG21 VAL 37 HG21 VAL 37 1.774 0.393 14.729 267 HG22 VAL 37 HG22 VAL 37 3.049 -0.691 14.172 268 HG23 VAL 37 HG23 VAL 37 3.250 0.209 15.676 269 H HIS 38 HN HIS 38 2.101 -1.817 12.530 270 HA HIS 38 HA HIS 38 4.478 -3.499 12.563 271 HB2 HIS 38 HB2 HIS 38 3.976 -4.637 10.512 272 HB3 HIS 38 HB1 HIS 38 2.616 -4.878 11.602 273 HD1 HIS 38 HD1 HIS 38 2.664 -4.924 8.359 274 HD2 HIS 38 HD2 HIS 38 1.125 -1.962 10.833 275 HE1 HIS 38 HE1 HIS 38 0.962 -3.704 6.968 276 HE2 HIS 38 HE2 HIS 38 -0.016 -1.969 8.512 277 H THR 39 HN THR 39 6.070 -2.892 11.046 278 HA THR 39 HA THR 39 5.650 -0.207 9.912 279 HB THR 39 HB THR 39 8.380 -1.330 10.378 280 HG1 THR 39 HG1 THR 39 8.285 -0.532 12.517 281 HG21 THR 39 HG21 THR 39 7.264 1.235 9.775 282 HG22 THR 39 HG22 THR 39 8.953 0.727 9.823 283 HG23 THR 39 HG23 THR 39 8.163 1.301 11.291 284 H VAL 40 HN VAL 40 6.189 0.209 7.807 285 HA VAL 40 HA VAL 40 7.382 -1.935 6.214 286 HB VAL 40 HB VAL 40 4.958 -2.261 6.017 287 HG11 VAL 40 HG11 VAL 40 4.714 0.412 6.245 288 HG12 VAL 40 HG12 VAL 40 3.455 -0.635 5.590 289 HG13 VAL 40 HG13 VAL 40 4.539 0.230 4.500 290 HG21 VAL 40 HG21 VAL 40 5.527 -1.142 3.362 291 HG22 VAL 40 HG22 VAL 40 5.110 -2.789 3.836 292 HG23 VAL 40 HG23 VAL 40 6.771 -2.219 3.996 293 H VAL 41 HN VAL 41 8.924 -1.144 4.948 294 HA VAL 41 HA VAL 41 9.523 1.599 4.790 295 HB VAL 41 HB VAL 41 10.493 -0.451 2.808 296 HG11 VAL 41 HG11 VAL 41 11.995 1.081 2.201 297 HG12 VAL 41 HG12 VAL 41 12.391 1.471 3.874 298 HG13 VAL 41 HG13 VAL 41 11.016 2.247 3.091 299 HG21 VAL 41 HG21 VAL 41 12.412 -0.672 4.541 300 HG22 VAL 41 HG22 VAL 41 10.925 -1.591 4.778 301 HG23 VAL 41 HG23 VAL 41 11.202 -0.110 5.695 302 H LEU 42 HN LEU 42 8.856 3.164 3.462 303 HA LEU 42 HA LEU 42 6.817 2.586 1.513 304 HB2 LEU 42 HB2 LEU 42 8.109 5.135 2.454 305 HB3 LEU 42 HB1 LEU 42 6.918 5.103 1.168 306 HG LEU 42 HG LEU 42 6.485 4.281 4.039 307 HD11 LEU 42 HD11 LEU 42 6.580 6.709 3.602 308 HD12 LEU 42 HD12 LEU 42 4.988 6.166 4.132 309 HD13 LEU 42 HD13 LEU 42 5.276 6.523 2.429 310 HD21 LEU 42 HD21 LEU 42 4.021 4.349 2.925 311 HD22 LEU 42 HD22 LEU 42 4.972 2.880 3.139 312 HD23 LEU 42 HD23 LEU 42 4.972 3.711 1.583 313 H SER 43 HN SER 43 10.092 2.383 1.340 314 HA SER 43 HA SER 43 10.525 3.664 -1.194 315 HB2 SER 43 HB2 SER 43 12.757 3.004 -0.992 316 HB3 SER 43 HB1 SER 43 12.253 3.171 0.690 317 HG SER 43 HG SER 43 13.353 1.095 -0.307 318 H THR 44 HN THR 44 9.680 0.464 -0.081 319 HA THR 44 HA THR 44 10.305 -1.009 -2.380 320 HB THR 44 HB THR 44 9.780 -2.200 -0.389 321 HG1 THR 44 HG1 THR 44 7.546 -2.557 -2.093 322 HG21 THR 44 HG21 THR 44 8.196 -1.669 1.056 323 HG22 THR 44 HG22 THR 44 6.945 -1.795 -0.181 324 HG23 THR 44 HG23 THR 44 7.817 -0.278 0.041 325 H ILE 45 HN ILE 45 7.531 0.986 -1.585 326 HA ILE 45 HA ILE 45 5.845 0.136 -3.686 327 HB ILE 45 HB ILE 45 5.918 2.775 -2.215 328 HG12 ILE 45 HG12 ILE 45 3.745 1.617 -1.262 329 HG13 ILE 45 HG11 ILE 45 4.570 0.143 -1.759 330 HG21 ILE 45 HG21 ILE 45 3.582 3.034 -3.024 331 HG22 ILE 45 HG22 ILE 45 3.836 1.644 -4.078 332 HG23 ILE 45 HG23 ILE 45 4.788 3.110 -4.308 333 HD11 ILE 45 HD11 ILE 45 6.332 1.884 -0.283 334 HD12 ILE 45 HD12 ILE 45 5.890 0.203 0.016 335 HD13 ILE 45 HD13 ILE 45 4.873 1.505 0.632 336 H ASP 46 HN ASP 46 6.153 0.355 -5.789 337 HA ASP 46 HA ASP 46 7.902 2.498 -6.765 338 HB2 ASP 46 HB2 ASP 46 8.076 -0.114 -7.314 339 HB3 ASP 46 HB1 ASP 46 6.949 0.348 -8.586 340 H LYS 47 HN LYS 47 4.632 1.359 -6.814 341 HA LYS 47 HA LYS 47 3.920 3.603 -8.578 342 HB2 LYS 47 HB2 LYS 47 2.372 1.025 -8.581 343 HB3 LYS 47 HB1 LYS 47 2.338 2.326 -9.763 344 HG2 LYS 47 HG2 LYS 47 4.982 1.404 -9.725 345 HG3 LYS 47 HG1 LYS 47 3.962 -0.037 -9.696 346 HD2 LYS 47 HD2 LYS 47 3.212 2.118 -11.589 347 HD3 LYS 47 HD1 LYS 47 4.665 1.188 -11.962 348 HE2 LYS 47 HE2 LYS 47 3.282 -0.294 -12.902 349 HE3 LYS 47 HE1 LYS 47 2.861 -0.759 -11.254 350 HZ1 LYS 47 HZ1 LYS 47 1.003 -0.131 -12.907 351 HZ2 LYS 47 HZ2 LYS 47 1.442 1.465 -12.559 352 HZ3 LYS 47 HZ3 LYS 47 0.915 0.445 -11.318 353 H LEU 48 HN LEU 48 1.484 4.059 -8.410 354 HA LEU 48 HA LEU 48 0.419 3.550 -5.739 355 HB2 LEU 48 HB2 LEU 48 1.133 6.238 -6.853 356 HB3 LEU 48 HB1 LEU 48 -0.201 6.082 -5.726 357 HG LEU 48 HG LEU 48 2.633 5.220 -5.148 358 HD11 LEU 48 HD11 LEU 48 2.406 7.663 -5.415 359 HD12 LEU 48 HD12 LEU 48 2.799 7.188 -3.763 360 HD13 LEU 48 HD13 LEU 48 1.150 7.657 -4.177 361 HD21 LEU 48 HD21 LEU 48 1.489 5.480 -2.755 362 HD22 LEU 48 HD22 LEU 48 1.465 3.967 -3.660 363 HD23 LEU 48 HD23 LEU 48 0.062 5.036 -3.691 364 H GLN 49 HN GLN 49 -1.523 2.717 -6.118 365 HA GLN 49 HA GLN 49 -3.202 3.973 -8.188 366 HB2 GLN 49 HB2 GLN 49 -2.255 1.361 -8.200 367 HB3 GLN 49 HB1 GLN 49 -3.901 1.207 -7.603 368 HG2 GLN 49 HG2 GLN 49 -4.562 1.238 -9.713 369 HG3 GLN 49 HG1 GLN 49 -4.119 2.944 -9.747 370 HE21 GLN 49 HE21 GLN 49 -1.903 3.452 -10.380 371 HE22 GLN 49 HE22 GLN 49 -1.117 2.445 -11.544 372 H ALA 50 HN ALA 50 -5.251 4.499 -7.636 373 HA ALA 50 HA ALA 50 -6.400 3.459 -5.166 374 HB1 ALA 50 HB1 ALA 50 -6.414 5.371 -3.980 375 HB2 ALA 50 HB2 ALA 50 -6.661 6.379 -5.406 376 HB3 ALA 50 HB3 ALA 50 -5.045 5.793 -5.009 377 H THR 51 HN THR 51 -8.691 4.252 -4.888 378 HA THR 51 HA THR 51 -10.041 4.037 -7.448 379 HB THR 51 HB THR 51 -12.007 3.548 -6.220 380 HG1 THR 51 HG1 THR 51 -12.300 4.877 -4.612 381 HG21 THR 51 HG21 THR 51 -10.516 2.321 -4.113 382 HG22 THR 51 HG22 THR 51 -9.665 2.132 -5.646 383 HG23 THR 51 HG23 THR 51 -11.333 1.579 -5.488 384 HA PRO 52 HA PRO 52 -11.088 8.284 -7.958 385 HB2 PRO 52 HB2 PRO 52 -13.642 8.118 -8.914 386 HB3 PRO 52 HB1 PRO 52 -12.210 7.759 -9.885 387 HG2 PRO 52 HG2 PRO 52 -14.060 5.880 -8.470 388 HG3 PRO 52 HG1 PRO 52 -13.345 5.742 -10.087 389 HD2 PRO 52 HD2 PRO 52 -12.363 4.393 -7.972 390 HD3 PRO 52 HD1 PRO 52 -11.313 5.008 -9.264 391 H ALA 53 HN ALA 53 -12.248 10.003 -7.045 392 HA ALA 53 HA ALA 53 -13.167 9.606 -4.407 393 HB1 ALA 53 HB1 ALA 53 -13.121 11.855 -4.234 394 HB2 ALA 53 HB2 ALA 53 -13.964 12.099 -5.764 395 HB3 ALA 53 HB3 ALA 53 -12.238 11.739 -5.756 396 H SER 54 HN SER 54 -14.787 9.615 -7.470 397 HA SER 54 HA SER 54 -17.400 10.209 -6.573 398 HB2 SER 54 HB2 SER 54 -16.373 10.038 -9.005 399 HB3 SER 54 HB1 SER 54 -16.964 8.380 -8.898 400 HG SER 54 HG SER 54 -19.033 9.337 -8.316 401 H SER 55 HN SER 55 -15.499 7.284 -6.617 402 HA SER 55 HA SER 55 -17.706 5.521 -6.117 403 HB2 SER 55 HB2 SER 55 -14.752 5.263 -6.313 404 HB3 SER 55 HB1 SER 55 -15.597 4.038 -5.367 405 HG SER 55 HG SER 55 -16.401 4.768 -7.980 406 H GLU 56 HN GLU 56 -18.614 5.005 -4.231 407 HA GLU 56 HA GLU 56 -18.089 6.427 -1.879 408 HB2 GLU 56 HB2 GLU 56 -19.735 4.054 -2.594 409 HB3 GLU 56 HB1 GLU 56 -19.417 4.333 -0.888 410 HG2 GLU 56 HG2 GLU 56 -21.408 5.439 -1.211 411 HG3 GLU 56 HG1 GLU 56 -20.226 6.737 -1.372 412 H LYS 57 HN LYS 57 -16.844 3.385 -3.065 413 HA LYS 57 HA LYS 57 -15.564 2.752 -0.536 414 HB2 LYS 57 HB2 LYS 57 -16.025 1.363 -3.106 415 HB3 LYS 57 HB1 LYS 57 -14.535 0.948 -2.272 416 HG2 LYS 57 HG2 LYS 57 -16.200 0.737 -0.215 417 HG3 LYS 57 HG1 LYS 57 -17.346 0.416 -1.518 418 HD2 LYS 57 HD2 LYS 57 -15.650 -1.274 -2.381 419 HD3 LYS 57 HD1 LYS 57 -14.836 -1.090 -0.825 420 HE2 LYS 57 HE2 LYS 57 -17.716 -1.909 -1.194 421 HE3 LYS 57 HE1 LYS 57 -16.380 -3.017 -0.882 422 HZ1 LYS 57 HZ1 LYS 57 -17.889 -2.005 1.037 423 HZ2 LYS 57 HZ2 LYS 57 -16.698 -0.806 0.984 424 HZ3 LYS 57 HZ3 LYS 57 -16.265 -2.415 1.275 425 H MET 58 HN MET 58 -14.263 4.702 -0.461 426 HA MET 58 HA MET 58 -12.179 5.032 -2.439 427 HB2 MET 58 HB2 MET 58 -12.694 6.472 0.169 428 HB3 MET 58 HB1 MET 58 -11.455 6.918 -0.997 429 HG2 MET 58 HG2 MET 58 -13.058 8.348 -1.672 430 HG3 MET 58 HG1 MET 58 -13.563 6.950 -2.619 431 HE1 MET 58 HE1 MET 58 -14.554 7.116 1.502 432 HE2 MET 58 HE2 MET 58 -15.335 8.663 1.171 433 HE3 MET 58 HE3 MET 58 -13.630 8.433 0.779 434 H MET 59 HN MET 59 -10.447 3.770 -2.417 435 HA MET 59 HA MET 59 -9.048 3.317 0.102 436 HB2 MET 59 HB2 MET 59 -9.858 1.081 -1.764 437 HB3 MET 59 HB1 MET 59 -8.755 0.908 -0.406 438 HG2 MET 59 HG2 MET 59 -10.576 0.289 0.719 439 HG3 MET 59 HG1 MET 59 -10.908 2.018 0.808 440 HE1 MET 59 HE1 MET 59 -11.298 -1.021 -1.654 441 HE2 MET 59 HE2 MET 59 -13.056 -1.108 -1.757 442 HE3 MET 59 HE3 MET 59 -12.248 -1.390 -0.215 443 H LEU 60 HN LEU 60 -6.830 2.832 -0.141 444 HA LEU 60 HA LEU 60 -5.773 3.465 -2.816 445 HB2 LEU 60 HB2 LEU 60 -5.004 4.272 -0.088 446 HB3 LEU 60 HB1 LEU 60 -3.664 3.849 -1.137 447 HG LEU 60 HG LEU 60 -5.723 5.758 -2.151 448 HD11 LEU 60 HD11 LEU 60 -4.896 6.348 0.246 449 HD12 LEU 60 HD12 LEU 60 -4.910 7.586 -1.010 450 HD13 LEU 60 HD13 LEU 60 -3.400 6.782 -0.581 451 HD21 LEU 60 HD21 LEU 60 -2.730 5.680 -2.485 452 HD22 LEU 60 HD22 LEU 60 -3.896 6.610 -3.426 453 HD23 LEU 60 HD23 LEU 60 -3.862 4.852 -3.556 454 H ARG 61 HN ARG 61 -4.140 2.220 -3.696 455 HA ARG 61 HA ARG 61 -3.387 -0.200 -2.201 456 HB2 ARG 61 HB2 ARG 61 -5.097 -0.781 -3.855 457 HB3 ARG 61 HB1 ARG 61 -4.128 -0.052 -5.128 458 HG2 ARG 61 HG2 ARG 61 -2.620 -1.775 -5.161 459 HG3 ARG 61 HG1 ARG 61 -2.932 -2.225 -3.484 460 HD2 ARG 61 HD2 ARG 61 -5.332 -2.765 -4.474 461 HD3 ARG 61 HD1 ARG 61 -4.403 -2.954 -5.960 462 HE ARG 61 HE ARG 61 -3.160 -4.381 -3.872 463 HH11 ARG 61 HH11 ARG 61 -5.978 -4.498 -5.927 464 HH12 ARG 61 HH12 ARG 61 -6.110 -6.223 -5.860 465 HH21 ARG 61 HH21 ARG 61 -3.331 -6.651 -3.783 466 HH22 ARG 61 HH22 ARG 61 -4.608 -7.446 -4.643 467 H LEU 62 HN LEU 62 -1.285 -0.074 -1.817 468 HA LEU 62 HA LEU 62 0.484 1.410 -3.546 469 HB2 LEU 62 HB2 LEU 62 0.806 -0.059 -0.949 470 HB3 LEU 62 HB1 LEU 62 2.204 0.503 -1.842 471 HG LEU 62 HG LEU 62 1.926 2.629 -1.185 472 HD11 LEU 62 HD11 LEU 62 0.019 3.027 -2.607 473 HD12 LEU 62 HD12 LEU 62 -0.240 3.786 -1.035 474 HD13 LEU 62 HD13 LEU 62 -1.053 2.271 -1.428 475 HD21 LEU 62 HD21 LEU 62 1.326 0.977 0.832 476 HD22 LEU 62 HD22 LEU 62 -0.151 1.939 0.793 477 HD23 LEU 62 HD23 LEU 62 1.410 2.729 1.012 478 H ILE 63 HN ILE 63 2.084 0.614 -4.826 479 HA ILE 63 HA ILE 63 2.047 -2.301 -5.281 480 HB ILE 63 HB ILE 63 3.033 -0.342 -7.326 481 HG12 ILE 63 HG12 ILE 63 0.756 0.380 -6.711 482 HG13 ILE 63 HG11 ILE 63 0.807 -0.291 -8.338 483 HG21 ILE 63 HG21 ILE 63 3.579 -2.413 -8.086 484 HG22 ILE 63 HG22 ILE 63 1.935 -2.314 -8.719 485 HG23 ILE 63 HG23 ILE 63 2.255 -3.200 -7.227 486 HD11 ILE 63 HD11 ILE 63 0.015 -1.948 -5.973 487 HD12 ILE 63 HD12 ILE 63 -0.287 -2.247 -7.685 488 HD13 ILE 63 HD13 ILE 63 -1.143 -0.950 -6.852 489 H GLY 64 HN GLY 64 3.746 -3.149 -4.233 490 HA2 GLY 64 HA2 GLY 64 6.112 -1.840 -3.548 491 HA3 GLY 64 HA1 GLY 64 5.926 -3.583 -3.657 492 H LYS 65 HN LYS 65 8.236 -3.344 -4.337 493 HA LYS 65 HA LYS 65 8.568 -2.451 -7.100 494 HB2 LYS 65 HB2 LYS 65 10.389 -2.967 -4.812 495 HB3 LYS 65 HB1 LYS 65 11.032 -3.272 -6.420 496 HG2 LYS 65 HG2 LYS 65 10.790 -1.038 -7.068 497 HG3 LYS 65 HG1 LYS 65 9.695 -0.679 -5.731 498 HD2 LYS 65 HD2 LYS 65 11.572 -1.071 -4.156 499 HD3 LYS 65 HD1 LYS 65 12.645 -1.285 -5.541 500 HE2 LYS 65 HE2 LYS 65 11.001 1.183 -5.441 501 HE3 LYS 65 HE1 LYS 65 12.350 1.056 -4.312 502 HZ1 LYS 65 HZ1 LYS 65 12.625 2.011 -6.750 503 HZ2 LYS 65 HZ2 LYS 65 12.886 0.376 -7.097 504 HZ3 LYS 65 HZ3 LYS 65 13.866 1.166 -5.968 505 H VAL 66 HN VAL 66 10.339 -3.964 -8.252 506 HA VAL 66 HA VAL 66 9.442 -6.754 -7.993 507 HB VAL 66 HB VAL 66 9.899 -5.383 -10.643 508 HG11 VAL 66 HG11 VAL 66 8.413 -7.540 -11.200 509 HG12 VAL 66 HG12 VAL 66 9.272 -8.139 -9.781 510 HG13 VAL 66 HG13 VAL 66 10.176 -7.564 -11.182 511 HG21 VAL 66 HG21 VAL 66 7.945 -4.393 -9.668 512 HG22 VAL 66 HG22 VAL 66 7.321 -5.973 -9.197 513 HG23 VAL 66 HG23 VAL 66 7.425 -5.538 -10.903 514 H ASP 67 HN ASP 67 10.978 -8.316 -8.354 515 HA ASP 67 HA ASP 67 13.608 -7.545 -9.333 516 HB2 ASP 67 HB2 ASP 67 14.730 -8.588 -7.358 517 HB3 ASP 67 HB1 ASP 67 13.855 -7.109 -6.974 518 H GLU 68 HN GLU 68 13.967 -8.987 -10.880 519 HA GLU 68 HA GLU 68 13.065 -11.756 -10.483 520 HB2 GLU 68 HB2 GLU 68 13.810 -10.276 -13.012 521 HB3 GLU 68 HB1 GLU 68 13.348 -11.971 -12.946 522 HG2 GLU 68 HG2 GLU 68 11.295 -11.221 -13.375 523 HG3 GLU 68 HG1 GLU 68 11.261 -10.791 -11.665 524 H SER 69 HN SER 69 15.426 -10.786 -9.201 525 HA SER 69 HA SER 69 17.476 -12.364 -10.614 526 HB2 SER 69 HB2 SER 69 19.130 -10.897 -9.318 527 HB3 SER 69 HB1 SER 69 18.268 -10.132 -10.653 528 HG SER 69 HG SER 69 16.896 -9.161 -9.173 529 H LYS 70 HN LYS 70 15.527 -13.371 -8.753 530 HA LYS 70 HA LYS 70 17.354 -14.601 -6.866 531 HB2 LYS 70 HB2 LYS 70 14.817 -13.352 -5.821 532 HB3 LYS 70 HB1 LYS 70 16.127 -14.072 -4.895 533 HG2 LYS 70 HG2 LYS 70 17.610 -12.239 -5.715 534 HG3 LYS 70 HG1 LYS 70 16.182 -11.485 -6.428 535 HD2 LYS 70 HD2 LYS 70 15.190 -11.722 -4.035 536 HD3 LYS 70 HD1 LYS 70 16.878 -11.880 -3.545 537 HE2 LYS 70 HE2 LYS 70 16.074 -9.628 -5.330 538 HE3 LYS 70 HE1 LYS 70 15.718 -9.532 -3.606 539 HZ1 LYS 70 HZ1 LYS 70 18.018 -9.741 -3.093 540 HZ2 LYS 70 HZ2 LYS 70 17.874 -8.531 -4.266 541 HZ3 LYS 70 HZ3 LYS 70 18.422 -10.070 -4.702 542 H LYS 71 HN LYS 71 13.836 -14.300 -7.395 543 HA LYS 71 HA LYS 71 12.210 -15.855 -7.725 544 HB2 LYS 71 HB2 LYS 71 14.585 -17.265 -8.920 545 HB3 LYS 71 HB1 LYS 71 12.992 -18.010 -8.893 546 HG2 LYS 71 HG2 LYS 71 12.218 -16.715 -10.548 547 HG3 LYS 71 HG1 LYS 71 13.036 -15.274 -9.941 548 HD2 LYS 71 HD2 LYS 71 15.173 -16.189 -10.832 549 HD3 LYS 71 HD1 LYS 71 14.256 -17.514 -11.552 550 HE2 LYS 71 HE2 LYS 71 13.429 -16.217 -13.204 551 HE3 LYS 71 HE1 LYS 71 13.264 -14.809 -12.156 552 HZ1 LYS 71 HZ1 LYS 71 15.617 -14.397 -12.357 553 HZ2 LYS 71 HZ2 LYS 71 14.932 -14.491 -13.900 554 HZ3 LYS 71 HZ3 LYS 71 15.826 -15.792 -13.293 555 H ARG 72 HN ARG 72 11.389 -16.546 -5.853 556 HA ARG 72 HA ARG 72 12.944 -18.250 -4.089 557 HB2 ARG 72 HB2 ARG 72 11.134 -16.282 -3.593 558 HB3 ARG 72 HB1 ARG 72 10.118 -17.708 -3.433 559 HG2 ARG 72 HG2 ARG 72 12.227 -18.484 -1.963 560 HG3 ARG 72 HG1 ARG 72 12.310 -16.738 -1.722 561 HD2 ARG 72 HD2 ARG 72 9.663 -17.162 -1.380 562 HD3 ARG 72 HD1 ARG 72 10.312 -18.692 -0.791 563 HE ARG 72 HE ARG 72 11.836 -16.846 0.470 564 HH11 ARG 72 HH11 ARG 72 8.388 -17.295 0.167 565 HH12 ARG 72 HH12 ARG 72 8.035 -16.588 1.708 566 HH21 ARG 72 HH21 ARG 72 11.374 -15.917 2.497 567 HH22 ARG 72 HH22 ARG 72 9.730 -15.806 3.031 568 H LYS 73 HN LYS 73 11.561 -20.065 -2.992 569 HA LYS 73 HA LYS 73 10.654 -22.139 -3.195 570 HB2 LYS 73 HB2 LYS 73 9.027 -20.543 -5.086 571 HB3 LYS 73 HB1 LYS 73 8.835 -22.290 -5.055 572 HG2 LYS 73 HG2 LYS 73 8.538 -20.480 -2.669 573 HG3 LYS 73 HG1 LYS 73 7.208 -21.141 -3.622 574 HD2 LYS 73 HD2 LYS 73 8.434 -23.423 -3.076 575 HD3 LYS 73 HD1 LYS 73 9.034 -22.493 -1.701 576 HE2 LYS 73 HE2 LYS 73 6.680 -21.899 -1.157 577 HE3 LYS 73 HE1 LYS 73 6.153 -22.979 -2.446 578 HZ1 LYS 73 HZ1 LYS 73 7.315 -24.796 -1.269 579 HZ2 LYS 73 HZ2 LYS 73 6.044 -24.133 -0.372 580 HZ3 LYS 73 HZ3 LYS 73 7.643 -23.735 0.007 581 H ASP 74 HN ASP 74 12.181 -23.543 -3.831 582 HA ASP 74 HA ASP 74 12.502 -23.956 -6.725 583 HB2 ASP 74 HB2 ASP 74 14.679 -23.785 -4.642 584 HB3 ASP 74 HB1 ASP 74 14.928 -24.544 -6.212 585 H ASN 75 HN ASN 75 13.849 -25.503 -3.817 586 HA ASN 75 HA ASN 75 12.519 -28.001 -4.637 587 HB2 ASN 75 HB2 ASN 75 15.148 -27.712 -4.882 588 HB3 ASN 75 HB1 ASN 75 15.114 -28.108 -3.166 589 HD21 ASN 75 HD21 ASN 75 13.510 -29.225 -6.133 590 HD22 ASN 75 HD22 ASN 75 13.756 -30.909 -5.832 591 H GLU 76 HN GLU 76 11.599 -25.999 -2.754 592 HA GLU 76 HA GLU 76 11.912 -27.361 -0.176 593 HB2 GLU 76 HB2 GLU 76 10.735 -24.661 -0.857 594 HB3 GLU 76 HB1 GLU 76 10.813 -25.336 0.765 595 HG2 GLU 76 HG2 GLU 76 13.245 -24.882 -0.938 596 HG3 GLU 76 HG1 GLU 76 12.598 -23.670 0.167 597 H GLY 77 HN GLY 77 9.502 -26.405 -2.559 598 HA2 GLY 77 HA2 GLY 77 7.749 -28.512 -1.801 599 HA3 GLY 77 HA1 GLY 77 7.162 -26.972 -1.191 600 H ASN 78 HN ASN 78 8.011 -25.347 -3.361 601 HA ASN 78 HA ASN 78 6.800 -26.423 -5.734 602 HB2 ASN 78 HB2 ASN 78 5.680 -23.883 -4.558 603 HB3 ASN 78 HB1 ASN 78 5.048 -24.824 -5.906 604 HD21 ASN 78 HD21 ASN 78 5.634 -24.910 -2.432 605 HD22 ASN 78 HD22 ASN 78 4.328 -25.977 -2.057 606 H GLU 79 HN GLU 79 6.417 -23.829 -6.873 607 HA GLU 79 HA GLU 79 9.092 -22.650 -6.863 608 HB2 GLU 79 HB2 GLU 79 7.702 -23.883 -9.219 609 HB3 GLU 79 HB1 GLU 79 8.829 -22.554 -9.453 610 HG2 GLU 79 HG2 GLU 79 10.630 -23.825 -9.021 611 HG3 GLU 79 HG1 GLU 79 9.806 -24.758 -7.772 612 H VAL 80 HN VAL 80 7.386 -21.257 -5.599 613 HA VAL 80 HA VAL 80 5.394 -19.770 -6.698 614 HB VAL 80 HB VAL 80 6.185 -19.610 -4.334 615 HG11 VAL 80 HG11 VAL 80 8.251 -18.943 -3.861 616 HG12 VAL 80 HG12 VAL 80 7.917 -17.370 -4.584 617 HG13 VAL 80 HG13 VAL 80 8.562 -18.677 -5.576 618 HG21 VAL 80 HG21 VAL 80 5.992 -16.841 -5.448 619 HG22 VAL 80 HG22 VAL 80 5.250 -17.520 -4.000 620 HG23 VAL 80 HG23 VAL 80 4.633 -17.956 -5.593 621 H VAL 81 HN VAL 81 5.304 -17.559 -7.511 622 HA VAL 81 HA VAL 81 7.637 -16.882 -9.183 623 HB VAL 81 HB VAL 81 4.756 -16.351 -9.909 624 HG11 VAL 81 HG11 VAL 81 6.846 -15.012 -10.817 625 HG12 VAL 81 HG12 VAL 81 5.507 -15.461 -11.874 626 HG13 VAL 81 HG13 VAL 81 6.988 -16.418 -11.871 627 HG21 VAL 81 HG21 VAL 81 5.548 -18.176 -11.718 628 HG22 VAL 81 HG22 VAL 81 4.698 -18.588 -10.229 629 HG23 VAL 81 HG23 VAL 81 6.454 -18.732 -10.310 630 HA PRO 82 HA PRO 82 7.339 -13.432 -6.110 631 HB2 PRO 82 HB2 PRO 82 9.667 -12.920 -7.947 632 HB3 PRO 82 HB1 PRO 82 9.504 -12.547 -6.221 633 HG2 PRO 82 HG2 PRO 82 10.790 -14.721 -6.885 634 HG3 PRO 82 HG1 PRO 82 9.557 -14.805 -5.609 635 HD2 PRO 82 HD2 PRO 82 9.401 -15.743 -8.442 636 HD3 PRO 82 HD1 PRO 82 8.719 -16.469 -6.972 637 H LYS 83 HN LYS 83 5.426 -12.730 -7.010 638 HA LYS 83 HA LYS 83 5.497 -11.058 -9.397 639 HB2 LYS 83 HB2 LYS 83 3.287 -12.058 -7.617 640 HB3 LYS 83 HB1 LYS 83 2.999 -10.798 -8.808 641 HG2 LYS 83 HG2 LYS 83 4.368 -13.204 -9.807 642 HG3 LYS 83 HG1 LYS 83 2.695 -13.424 -9.291 643 HD2 LYS 83 HD2 LYS 83 2.386 -11.197 -10.721 644 HD3 LYS 83 HD1 LYS 83 3.802 -11.849 -11.548 645 HE2 LYS 83 HE2 LYS 83 1.621 -12.532 -12.549 646 HE3 LYS 83 HE1 LYS 83 2.653 -13.878 -12.067 647 HZ1 LYS 83 HZ1 LYS 83 0.153 -13.888 -11.454 648 HZ2 LYS 83 HZ2 LYS 83 0.625 -12.864 -10.194 649 HZ3 LYS 83 HZ3 LYS 83 1.289 -14.414 -10.317 650 HA PRO 84 HA PRO 84 5.927 -7.087 -7.560 651 HB2 PRO 84 HB2 PRO 84 3.385 -6.339 -8.928 652 HB3 PRO 84 HB1 PRO 84 4.962 -5.542 -8.969 653 HG2 PRO 84 HG2 PRO 84 4.124 -6.992 -11.037 654 HG3 PRO 84 HG1 PRO 84 5.822 -7.032 -10.526 655 HD2 PRO 84 HD2 PRO 84 3.668 -9.054 -10.111 656 HD3 PRO 84 HD1 PRO 84 5.401 -9.295 -10.410 657 H GLN 85 HN GLN 85 5.508 -6.670 -5.492 658 HA GLN 85 HA GLN 85 3.269 -7.634 -4.095 659 HB2 GLN 85 HB2 GLN 85 5.077 -5.352 -3.284 660 HB3 GLN 85 HB1 GLN 85 4.079 -6.332 -2.218 661 HG2 GLN 85 HG2 GLN 85 5.505 -8.102 -2.274 662 HG3 GLN 85 HG1 GLN 85 6.090 -7.723 -3.894 663 HE21 GLN 85 HE21 GLN 85 7.317 -8.190 -1.111 664 HE22 GLN 85 HE22 GLN 85 8.470 -6.911 -0.970 665 H ARG 86 HN ARG 86 1.350 -6.739 -3.519 666 HA ARG 86 HA ARG 86 0.813 -3.947 -4.183 667 HB2 ARG 86 HB2 ARG 86 -0.776 -6.278 -5.265 668 HB3 ARG 86 HB1 ARG 86 -1.331 -4.610 -5.303 669 HG2 ARG 86 HG2 ARG 86 0.295 -3.977 -6.849 670 HG3 ARG 86 HG1 ARG 86 1.284 -5.403 -6.529 671 HD2 ARG 86 HD2 ARG 86 -0.949 -6.610 -7.370 672 HD3 ARG 86 HD1 ARG 86 -1.106 -5.089 -8.247 673 HE ARG 86 HE ARG 86 1.436 -5.832 -8.771 674 HH11 ARG 86 HH11 ARG 86 -1.624 -7.489 -9.031 675 HH12 ARG 86 HH12 ARG 86 -1.117 -8.479 -10.358 676 HH21 ARG 86 HH21 ARG 86 2.105 -7.133 -10.516 677 HH22 ARG 86 HH22 ARG 86 1.000 -8.278 -11.201 678 H HIS 87 HN HIS 87 0.317 -3.254 -2.181 679 HA HIS 87 HA HIS 87 -1.582 -4.838 -0.588 680 HB2 HIS 87 HB2 HIS 87 0.122 -2.560 0.418 681 HB3 HIS 87 HB1 HIS 87 -0.717 -3.784 1.365 682 HD1 HIS 87 HD1 HIS 87 0.235 -6.371 0.556 683 HD2 HIS 87 HD2 HIS 87 2.761 -3.077 0.370 684 HE1 HIS 87 HE1 HIS 87 2.567 -7.312 0.553 685 HE2 HIS 87 HE2 HIS 87 4.079 -5.297 0.532 686 H MET 88 HN MET 88 -3.396 -3.858 0.340 687 HA MET 88 HA MET 88 -4.035 -1.157 -0.633 688 HB2 MET 88 HB2 MET 88 -6.426 -1.980 -0.866 689 HB3 MET 88 HB1 MET 88 -5.285 -2.546 -2.078 690 HG2 MET 88 HG2 MET 88 -6.532 -4.429 -1.531 691 HG3 MET 88 HG1 MET 88 -5.031 -4.623 -0.627 692 HE1 MET 88 HE1 MET 88 -8.634 -3.201 -0.452 693 HE2 MET 88 HE2 MET 88 -7.807 -2.018 0.562 694 HE3 MET 88 HE3 MET 88 -8.961 -3.141 1.280 695 H PHE 89 HN PHE 89 -5.423 0.077 0.671 696 HA PHE 89 HA PHE 89 -5.999 -1.013 3.338 697 HB2 PHE 89 HB2 PHE 89 -4.921 1.774 2.900 698 HB3 PHE 89 HB1 PHE 89 -5.166 0.943 4.433 699 HD1 PHE 89 HD1 PHE 89 -3.250 0.630 1.253 700 HD2 PHE 89 HD2 PHE 89 -3.375 -0.092 5.445 701 HE1 PHE 89 HE1 PHE 89 -0.927 -0.175 1.180 702 HE2 PHE 89 HE2 PHE 89 -1.052 -0.898 5.380 703 HZ PHE 89 HZ PHE 89 0.176 -0.940 3.245 704 H SER 90 HN SER 90 -7.826 -0.185 4.354 705 HA SER 90 HA SER 90 -9.790 0.946 2.566 706 HB2 SER 90 HB2 SER 90 -10.461 0.648 5.432 707 HB3 SER 90 HB1 SER 90 -11.349 0.120 4.003 708 HG SER 90 HG SER 90 -9.674 -1.542 3.816 709 H PHE 91 HN PHE 91 -10.863 2.907 2.815 710 HA PHE 91 HA PHE 91 -10.036 4.746 4.897 711 HB2 PHE 91 HB2 PHE 91 -9.146 4.976 2.069 712 HB3 PHE 91 HB1 PHE 91 -9.659 6.458 2.870 713 HD1 PHE 91 HD1 PHE 91 -8.469 7.249 4.883 714 HD2 PHE 91 HD2 PHE 91 -7.094 3.920 2.617 715 HE1 PHE 91 HE1 PHE 91 -6.261 7.438 5.952 716 HE2 PHE 91 HE2 PHE 91 -4.884 4.102 3.682 717 HZ PHE 91 HZ PHE 91 -4.465 5.863 5.352 718 H ASN 92 HN ASN 92 -11.531 6.330 5.300 719 HA ASN 92 HA ASN 92 -13.976 6.228 3.662 720 HB2 ASN 92 HB2 ASN 92 -13.631 6.895 6.592 721 HB3 ASN 92 HB1 ASN 92 -15.153 7.016 5.715 722 HD21 ASN 92 HD21 ASN 92 -13.697 5.202 7.867 723 HD22 ASN 92 HD22 ASN 92 -14.284 3.632 7.448 724 H ASN 93 HN ASN 93 -11.725 8.352 5.346 725 HA ASN 93 HA ASN 93 -13.085 10.741 4.440 726 HB2 ASN 93 HB2 ASN 93 -11.578 10.261 6.623 727 HB3 ASN 93 HB1 ASN 93 -10.344 10.926 5.557 728 HD21 ASN 93 HD21 ASN 93 -13.082 11.579 7.498 729 HD22 ASN 93 HD22 ASN 93 -13.121 13.291 7.266 730 H ARG 94 HN ARG 94 -12.906 11.300 2.373 731 HA ARG 94 HA ARG 94 -10.867 10.453 0.632 732 HB2 ARG 94 HB2 ARG 94 -12.664 12.862 0.310 733 HB3 ARG 94 HB1 ARG 94 -11.813 12.011 -0.972 734 HG2 ARG 94 HG2 ARG 94 -13.258 10.225 -0.936 735 HG3 ARG 94 HG1 ARG 94 -13.744 10.516 0.736 736 HD2 ARG 94 HD2 ARG 94 -14.601 12.796 -0.436 737 HD3 ARG 94 HD1 ARG 94 -14.783 11.661 -1.772 738 HE ARG 94 HE ARG 94 -15.914 10.430 0.415 739 HH11 ARG 94 HH11 ARG 94 -16.433 13.386 -1.367 740 HH12 ARG 94 HH12 ARG 94 -18.130 13.439 -1.027 741 HH21 ARG 94 HH21 ARG 94 -18.146 10.498 0.862 742 HH22 ARG 94 HH22 ARG 94 -19.103 11.800 0.239 743 H THR 95 HN THR 95 -11.323 13.460 2.437 744 HA THR 95 HA THR 95 -9.189 14.903 1.336 745 HB THR 95 HB THR 95 -10.316 15.070 4.138 746 HG1 THR 95 HG1 THR 95 -11.050 16.365 1.728 747 HG21 THR 95 HG21 THR 95 -9.434 17.544 2.924 748 HG22 THR 95 HG22 THR 95 -8.113 16.397 3.152 749 HG23 THR 95 HG23 THR 95 -9.105 16.884 4.526 750 H VAL 96 HN VAL 96 -9.317 12.654 4.058 751 HA VAL 96 HA VAL 96 -6.559 13.043 4.761 752 HB VAL 96 HB VAL 96 -8.353 10.763 5.592 753 HG11 VAL 96 HG11 VAL 96 -6.772 11.168 7.689 754 HG12 VAL 96 HG12 VAL 96 -5.693 11.768 6.431 755 HG13 VAL 96 HG13 VAL 96 -6.309 10.117 6.351 756 HG21 VAL 96 HG21 VAL 96 -9.286 13.089 6.013 757 HG22 VAL 96 HG22 VAL 96 -7.938 13.315 7.126 758 HG23 VAL 96 HG23 VAL 96 -9.119 12.038 7.420 759 H MET 97 HN MET 97 -8.419 10.574 3.033 760 HA MET 97 HA MET 97 -6.347 8.726 2.657 761 HB2 MET 97 HB2 MET 97 -8.767 8.289 2.246 762 HB3 MET 97 HB1 MET 97 -8.662 9.270 0.791 763 HG2 MET 97 HG2 MET 97 -6.689 7.579 0.259 764 HG3 MET 97 HG1 MET 97 -7.638 6.546 1.326 765 HE1 MET 97 HE1 MET 97 -7.098 8.340 -1.724 766 HE2 MET 97 HE2 MET 97 -8.543 8.239 -2.729 767 HE3 MET 97 HE3 MET 97 -7.427 6.875 -2.649 768 H ASP 98 HN ASP 98 -7.250 11.610 0.865 769 HA ASP 98 HA ASP 98 -5.559 11.143 -1.369 770 HB2 ASP 98 HB2 ASP 98 -7.508 12.724 -1.334 771 HB3 ASP 98 HB1 ASP 98 -6.544 13.810 -0.338 772 H ASN 99 HN ASN 99 -5.088 12.587 1.776 773 HA ASN 99 HA ASN 99 -2.634 13.892 1.203 774 HB2 ASN 99 HB2 ASN 99 -4.280 14.151 3.233 775 HB3 ASN 99 HB1 ASN 99 -3.292 12.879 3.944 776 HD21 ASN 99 HD21 ASN 99 -3.703 15.884 4.374 777 HD22 ASN 99 HD22 ASN 99 -2.091 16.491 4.509 778 H ILE 100 HN ILE 100 -3.487 10.620 1.985 779 HA ILE 100 HA ILE 100 -0.885 9.782 2.816 780 HB ILE 100 HB ILE 100 -3.146 8.088 1.744 781 HG12 ILE 100 HG12 ILE 100 -3.797 9.479 3.699 782 HG13 ILE 100 HG11 ILE 100 -3.812 7.753 4.051 783 HG21 ILE 100 HG21 ILE 100 -1.318 6.688 1.710 784 HG22 ILE 100 HG22 ILE 100 -1.944 6.411 3.336 785 HG23 ILE 100 HG23 ILE 100 -0.556 7.473 3.094 786 HD11 ILE 100 HD11 ILE 100 -2.613 9.697 5.560 787 HD12 ILE 100 HD12 ILE 100 -1.263 9.009 4.658 788 HD13 ILE 100 HD13 ILE 100 -2.283 7.967 5.650 789 H LYS 101 HN LYS 101 -2.747 9.351 -0.189 790 HA LYS 101 HA LYS 101 -0.698 8.057 -1.624 791 HB2 LYS 101 HB2 LYS 101 -3.090 8.023 -2.268 792 HB3 LYS 101 HB1 LYS 101 -2.977 9.722 -2.708 793 HG2 LYS 101 HG2 LYS 101 -0.946 8.662 -4.165 794 HG3 LYS 101 HG1 LYS 101 -2.108 7.334 -4.162 795 HD2 LYS 101 HD2 LYS 101 -3.185 10.036 -4.697 796 HD3 LYS 101 HD1 LYS 101 -2.164 9.331 -5.951 797 HE2 LYS 101 HE2 LYS 101 -4.561 7.977 -4.719 798 HE3 LYS 101 HE1 LYS 101 -4.578 8.848 -6.252 799 HZ1 LYS 101 HZ1 LYS 101 -4.304 6.606 -6.806 800 HZ2 LYS 101 HZ2 LYS 101 -3.157 6.338 -5.592 801 HZ3 LYS 101 HZ3 LYS 101 -2.751 7.264 -6.949 802 H MET 102 HN MET 102 -1.715 11.465 -1.555 803 HA MET 102 HA MET 102 0.118 12.432 -3.428 804 HB2 MET 102 HB2 MET 102 -0.371 14.613 -2.594 805 HB3 MET 102 HB1 MET 102 -1.852 13.674 -2.473 806 HG2 MET 102 HG2 MET 102 -1.870 14.686 -0.445 807 HG3 MET 102 HG1 MET 102 -0.972 13.225 -0.037 808 HE1 MET 102 HE1 MET 102 -0.111 16.541 1.818 809 HE2 MET 102 HE2 MET 102 -1.506 16.279 0.771 810 HE3 MET 102 HE3 MET 102 -0.242 17.411 0.290 811 H THR 103 HN THR 103 0.476 11.696 -0.029 812 HA THR 103 HA THR 103 3.095 12.918 0.141 813 HB THR 103 HB THR 103 1.576 11.193 2.109 814 HG1 THR 103 HG1 THR 103 1.985 13.998 2.051 815 HG21 THR 103 HG21 THR 103 3.841 13.007 2.822 816 HG22 THR 103 HG22 THR 103 4.122 11.324 2.375 817 HG23 THR 103 HG23 THR 103 3.108 11.710 3.766 818 H LEU 104 HN LEU 104 1.720 9.768 -0.420 819 HA LEU 104 HA LEU 104 4.168 8.331 0.032 820 HB2 LEU 104 HB2 LEU 104 1.411 7.685 -0.802 821 HB3 LEU 104 HB1 LEU 104 2.655 6.625 -1.436 822 HG LEU 104 HG LEU 104 2.771 7.169 1.471 823 HD11 LEU 104 HD11 LEU 104 0.879 5.040 0.729 824 HD12 LEU 104 HD12 LEU 104 0.290 6.691 0.532 825 HD13 LEU 104 HD13 LEU 104 0.870 6.144 2.105 826 HD21 LEU 104 HD21 LEU 104 3.001 4.539 1.218 827 HD22 LEU 104 HD22 LEU 104 4.348 5.631 0.900 828 HD23 LEU 104 HD23 LEU 104 3.399 4.988 -0.440 829 H GLN 105 HN GLN 105 2.571 9.840 -2.674 830 HA GLN 105 HA GLN 105 4.091 8.570 -4.718 831 HB2 GLN 105 HB2 GLN 105 3.152 10.237 -6.203 832 HB3 GLN 105 HB1 GLN 105 1.899 9.648 -5.119 833 HG2 GLN 105 HG2 GLN 105 1.862 11.626 -3.892 834 HG3 GLN 105 HG1 GLN 105 3.426 12.150 -4.512 835 HE21 GLN 105 HE21 GLN 105 3.544 13.177 -6.466 836 HE22 GLN 105 HE22 GLN 105 2.154 13.700 -7.349 837 H GLN 106 HN GLN 106 4.564 11.378 -2.700 838 HA GLN 106 HA GLN 106 6.679 12.510 -4.249 839 HB2 GLN 106 HB2 GLN 106 7.010 14.008 -2.383 840 HB3 GLN 106 HB1 GLN 106 5.288 13.830 -2.680 841 HG2 GLN 106 HG2 GLN 106 4.909 12.967 -0.662 842 HG3 GLN 106 HG1 GLN 106 6.330 11.928 -0.733 843 HE21 GLN 106 HE21 GLN 106 5.010 14.878 0.396 844 HE22 GLN 106 HE22 GLN 106 6.399 15.431 1.262 845 H ILE 107 HN ILE 107 6.473 10.097 -1.756 846 HA ILE 107 HA ILE 107 9.237 10.134 -1.034 847 HB ILE 107 HB ILE 107 7.270 7.872 -0.676 848 HG12 ILE 107 HG12 ILE 107 7.947 9.823 1.487 849 HG13 ILE 107 HG11 ILE 107 6.753 10.280 0.277 850 HG21 ILE 107 HG21 ILE 107 8.935 7.747 1.436 851 HG22 ILE 107 HG22 ILE 107 10.033 8.379 0.209 852 HG23 ILE 107 HG23 ILE 107 9.187 6.856 -0.064 853 HD11 ILE 107 HD11 ILE 107 5.302 9.322 1.675 854 HD12 ILE 107 HD12 ILE 107 6.556 8.398 2.502 855 HD13 ILE 107 HD13 ILE 107 5.883 7.808 0.982 856 H ILE 108 HN ILE 108 7.369 8.591 -3.530 857 HA ILE 108 HA ILE 108 9.413 6.659 -4.183 858 HB ILE 108 HB ILE 108 7.013 7.421 -5.844 859 HG12 ILE 108 HG12 ILE 108 7.145 5.111 -3.914 860 HG13 ILE 108 HG11 ILE 108 6.546 6.692 -3.422 861 HG21 ILE 108 HG21 ILE 108 8.729 4.943 -5.772 862 HG22 ILE 108 HG22 ILE 108 8.688 6.157 -7.051 863 HG23 ILE 108 HG23 ILE 108 7.274 5.147 -6.748 864 HD11 ILE 108 HD11 ILE 108 4.889 6.519 -5.305 865 HD12 ILE 108 HD12 ILE 108 4.663 5.387 -3.972 866 HD13 ILE 108 HD13 ILE 108 5.393 4.838 -5.481 867 H SER 109 HN SER 109 8.484 9.859 -5.192 868 HA SER 109 HA SER 109 9.996 9.813 -7.636 869 HB2 SER 109 HB2 SER 109 9.372 12.115 -7.876 870 HB3 SER 109 HB1 SER 109 7.969 11.262 -7.229 871 HG SER 109 HG SER 109 8.335 13.194 -6.096 872 H ARG 110 HN ARG 110 10.555 10.782 -4.321 873 HA ARG 110 HA ARG 110 12.880 12.322 -4.749 874 HB2 ARG 110 HB2 ARG 110 13.312 11.980 -2.351 875 HB3 ARG 110 HB1 ARG 110 11.642 12.437 -2.657 876 HG2 ARG 110 HG2 ARG 110 10.834 10.329 -2.149 877 HG3 ARG 110 HG1 ARG 110 12.401 9.558 -2.404 878 HD2 ARG 110 HD2 ARG 110 11.645 11.390 -0.130 879 HD3 ARG 110 HD1 ARG 110 11.884 9.646 -0.036 880 HE ARG 110 HE ARG 110 14.227 10.758 -1.044 881 HH11 ARG 110 HH11 ARG 110 12.363 10.842 1.905 882 HH12 ARG 110 HH12 ARG 110 13.740 11.127 2.915 883 HH21 ARG 110 HH21 ARG 110 16.040 11.131 0.283 884 HH22 ARG 110 HH22 ARG 110 15.828 11.291 1.995 885 H TYR 111 HN TYR 111 12.329 8.889 -4.565 886 HA TYR 111 HA TYR 111 15.169 8.302 -4.334 887 HB2 TYR 111 HB2 TYR 111 12.893 6.358 -4.738 888 HB3 TYR 111 HB1 TYR 111 14.522 5.990 -4.181 889 HD1 TYR 111 HD1 TYR 111 14.862 8.229 -2.207 890 HD2 TYR 111 HD2 TYR 111 11.593 5.605 -2.934 891 HE1 TYR 111 HE1 TYR 111 14.126 8.509 0.123 892 HE2 TYR 111 HE2 TYR 111 10.848 5.880 -0.606 893 HH TYR 111 HH TYR 111 12.787 7.511 1.768 894 H LYS 112 HN LYS 112 13.514 9.446 -6.791 895 HA LYS 112 HA LYS 112 14.709 7.627 -8.776 896 HB2 LYS 112 HB2 LYS 112 12.179 9.213 -8.767 897 HB3 LYS 112 HB1 LYS 112 12.993 8.943 -10.302 898 HG2 LYS 112 HG2 LYS 112 12.971 6.473 -9.704 899 HG3 LYS 112 HG1 LYS 112 11.837 6.910 -8.424 900 HD2 LYS 112 HD2 LYS 112 11.200 7.996 -11.082 901 HD3 LYS 112 HD1 LYS 112 11.115 6.238 -10.952 902 HE2 LYS 112 HE2 LYS 112 9.859 7.813 -8.781 903 HE3 LYS 112 HE1 LYS 112 9.063 7.844 -10.354 904 HZ1 LYS 112 HZ1 LYS 112 9.653 5.476 -8.672 905 HZ2 LYS 112 HZ2 LYS 112 9.169 5.356 -10.288 906 HZ3 LYS 112 HZ3 LYS 112 8.137 6.059 -9.146 907 H ASP 113 HN ASP 113 14.182 10.998 -7.882 908 HA ASP 113 HA ASP 113 15.975 11.896 -10.003 909 HB2 ASP 113 HB2 ASP 113 14.137 13.306 -8.088 910 HB3 ASP 113 HB1 ASP 113 15.362 14.194 -8.989 911 H ALA 114 HN ALA 114 16.603 10.497 -7.246 912 HA ALA 114 HA ALA 114 18.439 12.454 -6.117 913 HB1 ALA 114 HB1 ALA 114 17.291 9.874 -5.234 914 HB2 ALA 114 HB2 ALA 114 17.545 11.372 -4.338 915 HB3 ALA 114 HB3 ALA 114 18.899 10.281 -4.633 916 H ASP 115 HN ASP 115 18.617 9.135 -7.408 917 HA ASP 115 HA ASP 115 21.492 9.535 -7.863 918 HB2 ASP 115 HB2 ASP 115 19.791 7.144 -7.344 919 HB3 ASP 115 HB1 ASP 115 21.215 6.930 -8.358 920 H1 ASP 453 HN ASP 453 -13.544 -13.686 1.689 921 HA ASP 453 HA ASP 453 -13.945 -14.837 -0.948 922 HB2 ASP 453 HB2 ASP 453 -16.456 -14.907 -0.548 923 HB3 ASP 453 HB1 ASP 453 -15.514 -16.176 0.228 924 H LEU 454 HN LEU 454 -12.945 -12.320 0.108 925 HA LEU 454 HA LEU 454 -14.845 -10.529 -1.236 926 HB2 LEU 454 HB2 LEU 454 -14.110 -8.762 0.458 927 HB3 LEU 454 HB1 LEU 454 -15.262 -9.973 0.987 928 HG LEU 454 HG LEU 454 -13.048 -11.204 1.794 929 HD11 LEU 454 HD11 LEU 454 -11.315 -9.832 1.227 930 HD12 LEU 454 HD12 LEU 454 -11.685 -9.198 2.831 931 HD13 LEU 454 HD13 LEU 454 -12.276 -8.363 1.395 932 HD21 LEU 454 HD21 LEU 454 -15.126 -10.084 3.023 933 HD22 LEU 454 HD22 LEU 454 -13.870 -8.965 3.552 934 HD23 LEU 454 HD23 LEU 454 -13.721 -10.688 3.901 935 H ASP 455 HN ASP 455 -12.020 -11.881 -1.610 936 HA ASP 455 HA ASP 455 -10.409 -9.515 -2.129 937 HB2 ASP 455 HB2 ASP 455 -8.683 -11.213 -2.833 938 HB3 ASP 455 HB1 ASP 455 -9.215 -11.349 -1.160 939 H GLU 456 HN GLU 456 -12.228 -11.950 -3.859 940 HA GLU 456 HA GLU 456 -11.221 -11.537 -6.438 941 HB2 GLU 456 HB2 GLU 456 -13.359 -12.490 -7.222 942 HB3 GLU 456 HB1 GLU 456 -12.647 -13.431 -5.919 943 HG2 GLU 456 HG2 GLU 456 -14.175 -12.188 -4.347 944 HG3 GLU 456 HG1 GLU 456 -14.992 -11.561 -5.779 945 H SER 457 HN SER 457 -13.603 -9.772 -4.567 946 HA SER 457 HA SER 457 -14.375 -8.113 -6.811 947 HB2 SER 457 HB2 SER 457 -15.089 -7.944 -3.873 948 HB3 SER 457 HB1 SER 457 -15.787 -6.938 -5.142 949 HG SER 457 HG SER 457 -16.578 -9.327 -4.365 950 H TRP 458 HN TRP 458 -12.219 -7.969 -4.071 951 HA TRP 458 HA TRP 458 -11.766 -5.222 -3.923 952 HB2 TRP 458 HB2 TRP 458 -10.434 -7.653 -3.005 953 HB3 TRP 458 HB1 TRP 458 -9.299 -6.354 -3.361 954 HD1 TRP 458 HD1 TRP 458 -8.707 -5.930 -0.814 955 HE1 TRP 458 HE1 TRP 458 -10.002 -4.832 1.120 956 HE3 TRP 458 HE3 TRP 458 -13.375 -5.862 -2.897 957 HZ2 TRP 458 HZ2 TRP 458 -12.651 -4.042 1.688 958 HZ3 TRP 458 HZ3 TRP 458 -15.235 -4.918 -1.592 959 HH2 TRP 458 HH2 TRP 458 -14.879 -4.027 0.653 960 H ASP 459 HN ASP 459 -10.548 -7.617 -6.162 961 HA ASP 459 HA ASP 459 -8.435 -6.105 -7.259 962 HB2 ASP 459 HB2 ASP 459 -9.110 -8.640 -7.546 963 HB3 ASP 459 HB1 ASP 459 -9.986 -8.028 -8.946 964 H TYR 460 HN TYR 460 -11.878 -6.190 -7.893 965 HA TYR 460 HA TYR 460 -11.703 -4.591 -10.279 966 HB2 TYR 460 HB2 TYR 460 -13.515 -6.231 -9.954 967 HB3 TYR 460 HB1 TYR 460 -14.110 -5.293 -8.588 968 HD1 TYR 460 HD2 TYR 460 -13.574 -5.208 -12.253 969 HD2 TYR 460 HD1 TYR 460 -15.534 -3.437 -8.918 970 HE1 TYR 460 HE2 TYR 460 -14.961 -3.874 -13.784 971 HE2 TYR 460 HE1 TYR 460 -16.927 -2.099 -10.440 972 HH TYR 460 HH TYR 460 -17.734 -2.317 -12.869 973 H ILE 461 HN ILE 461 -11.287 -3.840 -7.089 974 HA ILE 461 HA ILE 461 -12.573 -1.215 -7.283 975 HB ILE 461 HB ILE 461 -11.223 -2.472 -4.891 976 HG12 ILE 461 HG12 ILE 461 -14.166 -2.296 -5.580 977 HG13 ILE 461 HG11 ILE 461 -13.193 -3.764 -5.614 978 HG21 ILE 461 HG21 ILE 461 -12.835 -0.702 -3.796 979 HG22 ILE 461 HG22 ILE 461 -12.660 0.090 -5.362 980 HG23 ILE 461 HG23 ILE 461 -11.235 -0.243 -4.378 981 HD11 ILE 461 HD11 ILE 461 -14.391 -3.837 -3.604 982 HD12 ILE 461 HD12 ILE 461 -14.043 -2.148 -3.237 983 HD13 ILE 461 HD13 ILE 461 -12.757 -3.352 -3.153 984 H PHE 462 HN PHE 462 -9.445 -2.756 -7.182 985 HA PHE 462 HA PHE 462 -8.151 -0.114 -7.143 986 HB2 PHE 462 HB2 PHE 462 -6.927 -2.817 -6.570 987 HB3 PHE 462 HB1 PHE 462 -6.119 -1.258 -6.429 988 HD1 PHE 462 HD2 PHE 462 -7.196 0.445 -4.804 989 HD2 PHE 462 HD1 PHE 462 -7.964 -3.740 -4.725 990 HE1 PHE 462 HE2 PHE 462 -7.959 0.633 -2.472 991 HE2 PHE 462 HE1 PHE 462 -8.730 -3.560 -2.394 992 HZ PHE 462 HZ PHE 462 -8.728 -1.371 -1.264 993 H GLU 463 HN GLU 463 -9.311 -1.962 -9.423 994 HA GLU 463 HA GLU 463 -6.908 -2.039 -11.098 995 HB2 GLU 463 HB2 GLU 463 -8.174 -3.448 -12.610 996 HB3 GLU 463 HB1 GLU 463 -8.275 -4.088 -10.977 997 HG2 GLU 463 HG2 GLU 463 -10.437 -4.294 -11.734 998 HG3 GLU 463 HG1 GLU 463 -10.490 -2.772 -10.844 999 H THR 464 HN THR 464 -9.179 0.171 -10.371 1000 HA THR 464 HA THR 464 -9.975 1.043 -12.975 1001 HB THR 464 HB THR 464 -11.326 1.530 -10.984 1002 HG1 THR 464 HG1 THR 464 -10.305 3.926 -12.097 1003 HG21 THR 464 HG21 THR 464 -10.716 2.913 -9.248 1004 HG22 THR 464 HG22 THR 464 -9.374 3.624 -10.146 1005 HG23 THR 464 HG23 THR 464 -9.245 1.979 -9.523 1006 H THR 465 HN THR 465 -7.574 2.155 -10.605 1007 HA THR 465 HA THR 465 -5.724 3.462 -10.805 1008 HB THR 465 HB THR 465 -5.786 2.937 -13.769 1009 HG1 THR 465 HG1 THR 465 -5.955 0.914 -13.130 1010 HG21 THR 465 HG21 THR 465 -3.257 2.506 -12.995 1011 HG22 THR 465 HG22 THR 465 -3.739 3.717 -11.807 1012 HG23 THR 465 HG23 THR 465 -3.865 4.073 -13.530 Start of MODEL 18 1 H2 PRO 1 HT1 PRO 1 4.882 17.135 12.095 2 H3 PRO 1 HT2 PRO 1 4.397 15.933 13.109 3 HA PRO 1 HA PRO 1 2.746 16.965 13.851 4 HB2 PRO 1 HB2 PRO 1 3.347 19.739 13.801 5 HB3 PRO 1 HB1 PRO 1 3.244 18.680 15.213 6 HG2 PRO 1 HG2 PRO 1 5.623 19.522 13.651 7 HG3 PRO 1 HG1 PRO 1 5.487 19.132 15.375 8 HD2 PRO 1 HD2 PRO 1 6.665 17.436 13.688 9 HD3 PRO 1 HD1 PRO 1 5.622 16.833 14.990 10 H SER 2 HN SER 2 3.249 16.392 11.144 11 HA SER 2 HA SER 2 1.283 18.084 9.907 12 HB2 SER 2 HB2 SER 2 3.217 19.470 9.473 13 HB3 SER 2 HB1 SER 2 4.127 18.084 8.873 14 HG SER 2 HG SER 2 3.216 18.338 7.002 15 H HIS 3 HN HIS 3 3.855 15.728 9.178 16 HA HIS 3 HA HIS 3 2.328 14.467 7.109 17 HB2 HIS 3 HB2 HIS 3 4.907 13.774 8.505 18 HB3 HIS 3 HB1 HIS 3 4.179 12.703 7.313 19 HD1 HIS 3 HD1 HIS 3 3.307 15.669 5.849 20 HD2 HIS 3 HD2 HIS 3 7.009 13.885 6.465 21 HE1 HIS 3 HE1 HIS 3 4.843 16.704 4.148 22 HE2 HIS 3 HE2 HIS 3 7.097 15.671 4.597 23 H SER 4 HN SER 4 0.380 13.848 8.077 24 HA SER 4 HA SER 4 0.308 11.243 9.134 25 HB2 SER 4 HB2 SER 4 -0.727 11.929 11.391 26 HB3 SER 4 HB1 SER 4 1.027 12.035 11.234 27 HG SER 4 HG SER 4 -0.885 14.079 11.351 28 H GLY 5 HN GLY 5 -1.864 10.478 9.502 29 HA2 GLY 5 HA2 GLY 5 -4.129 12.174 9.199 30 HA3 GLY 5 HA1 GLY 5 -3.734 11.392 7.676 31 H ALA 6 HN ALA 6 -6.159 10.972 8.948 32 HA ALA 6 HA ALA 6 -6.263 8.740 10.638 33 HB1 ALA 6 HB1 ALA 6 -8.619 8.528 9.843 34 HB2 ALA 6 HB2 ALA 6 -8.285 9.807 8.676 35 HB3 ALA 6 HB3 ALA 6 -8.185 10.142 10.405 36 H ALA 7 HN ALA 7 -6.140 6.600 10.304 37 HA ALA 7 HA ALA 7 -6.492 5.467 7.663 38 HB1 ALA 7 HB1 ALA 7 -4.363 4.815 7.214 39 HB2 ALA 7 HB2 ALA 7 -3.920 4.700 8.917 40 HB3 ALA 7 HB3 ALA 7 -4.000 6.277 8.131 41 H ILE 8 HN ILE 8 -7.510 3.583 7.859 42 HA ILE 8 HA ILE 8 -7.486 2.253 10.477 43 HB ILE 8 HB ILE 8 -9.427 1.804 8.210 44 HG12 ILE 8 HG12 ILE 8 -10.978 3.113 9.813 45 HG13 ILE 8 HG11 ILE 8 -9.489 3.707 10.541 46 HG21 ILE 8 HG21 ILE 8 -10.151 1.234 11.009 47 HG22 ILE 8 HG22 ILE 8 -8.933 0.177 10.294 48 HG23 ILE 8 HG23 ILE 8 -10.516 0.339 9.534 49 HD11 ILE 8 HD11 ILE 8 -9.705 3.938 7.608 50 HD12 ILE 8 HD12 ILE 8 -9.013 5.047 8.792 51 HD13 ILE 8 HD13 ILE 8 -10.761 4.971 8.572 52 H PHE 9 HN PHE 9 -6.683 0.256 10.732 53 HA PHE 9 HA PHE 9 -6.057 -1.326 8.336 54 HB2 PHE 9 HB2 PHE 9 -4.045 -0.083 9.328 55 HB3 PHE 9 HB1 PHE 9 -4.190 -1.179 10.697 56 HD1 PHE 9 HD2 PHE 9 -4.009 -1.287 6.973 57 HD2 PHE 9 HD1 PHE 9 -2.954 -3.112 10.670 58 HE1 PHE 9 HE2 PHE 9 -2.681 -2.966 5.760 59 HE2 PHE 9 HE1 PHE 9 -1.624 -4.794 9.464 60 HZ PHE 9 HZ PHE 9 -1.486 -4.723 7.006 61 H GLU 10 HN GLU 10 -6.804 -3.336 8.444 62 HA GLU 10 HA GLU 10 -7.730 -5.254 9.231 63 HB2 GLU 10 HB2 GLU 10 -5.439 -4.774 10.774 64 HB3 GLU 10 HB1 GLU 10 -6.684 -5.237 11.927 65 HG2 GLU 10 HG2 GLU 10 -7.116 -7.268 10.640 66 HG3 GLU 10 HG1 GLU 10 -5.860 -6.804 9.494 67 H LYS 11 HN LYS 11 -9.346 -3.050 9.421 68 HA LYS 11 HA LYS 11 -11.283 -2.319 10.361 69 HB2 LYS 11 HB2 LYS 11 -11.257 -5.062 10.705 70 HB3 LYS 11 HB1 LYS 11 -11.600 -4.462 12.322 71 HG2 LYS 11 HG2 LYS 11 -13.136 -3.366 10.019 72 HG3 LYS 11 HG1 LYS 11 -13.533 -4.970 10.639 73 HD2 LYS 11 HD2 LYS 11 -13.255 -2.667 12.526 74 HD3 LYS 11 HD1 LYS 11 -14.742 -2.867 11.597 75 HE2 LYS 11 HE2 LYS 11 -15.362 -4.156 13.334 76 HE3 LYS 11 HE1 LYS 11 -14.390 -5.383 12.522 77 HZ1 LYS 11 HZ1 LYS 11 -12.956 -3.608 14.321 78 HZ2 LYS 11 HZ2 LYS 11 -12.790 -5.274 14.083 79 HZ3 LYS 11 HZ3 LYS 11 -14.039 -4.680 15.057 80 H VAL 12 HN VAL 12 -8.790 -1.483 11.512 81 HA VAL 12 HA VAL 12 -9.685 -0.936 14.267 82 HB VAL 12 HB VAL 12 -6.818 -1.226 13.355 83 HG11 VAL 12 HG11 VAL 12 -6.895 0.366 15.113 84 HG12 VAL 12 HG12 VAL 12 -6.387 -1.159 15.839 85 HG13 VAL 12 HG13 VAL 12 -8.049 -0.602 16.031 86 HG21 VAL 12 HG21 VAL 12 -8.698 -3.080 14.762 87 HG22 VAL 12 HG22 VAL 12 -6.960 -3.178 15.049 88 HG23 VAL 12 HG23 VAL 12 -7.600 -3.408 13.421 89 H SER 13 HN SER 13 -9.853 1.142 14.808 90 HA SER 13 HA SER 13 -9.237 3.156 12.823 91 HB2 SER 13 HB2 SER 13 -10.217 4.642 14.783 92 HB3 SER 13 HB1 SER 13 -11.278 3.655 13.779 93 HG SER 13 HG SER 13 -11.726 3.342 15.981 94 H GLY 14 HN GLY 14 -7.213 3.884 12.701 95 HA2 GLY 14 HA2 GLY 14 -5.945 4.845 15.162 96 HA3 GLY 14 HA1 GLY 14 -5.059 3.684 14.184 97 H ILE 15 HN ILE 15 -3.933 6.103 14.691 98 HA ILE 15 HA ILE 15 -4.343 7.677 12.241 99 HB ILE 15 HB ILE 15 -2.743 8.517 14.654 100 HG12 ILE 15 HG12 ILE 15 -5.020 8.109 15.399 101 HG13 ILE 15 HG11 ILE 15 -4.735 9.844 15.312 102 HG21 ILE 15 HG21 ILE 15 -2.642 9.580 12.234 103 HG22 ILE 15 HG22 ILE 15 -2.575 10.575 13.688 104 HG23 ILE 15 HG23 ILE 15 -4.091 10.407 12.803 105 HD11 ILE 15 HD11 ILE 15 -5.774 8.953 12.815 106 HD12 ILE 15 HD12 ILE 15 -6.473 10.082 13.975 107 HD13 ILE 15 HD13 ILE 15 -6.798 8.355 14.120 108 H ILE 16 HN ILE 16 -2.722 7.982 10.787 109 HA ILE 16 HA ILE 16 -0.308 6.368 11.189 110 HB ILE 16 HB ILE 16 -1.975 6.327 9.084 111 HG12 ILE 16 HG12 ILE 16 0.912 6.037 8.416 112 HG13 ILE 16 HG11 ILE 16 0.272 5.062 9.735 113 HG21 ILE 16 HG21 ILE 16 -1.370 7.650 7.292 114 HG22 ILE 16 HG22 ILE 16 0.217 8.021 7.966 115 HG23 ILE 16 HG23 ILE 16 -1.227 8.773 8.645 116 HD11 ILE 16 HD11 ILE 16 -0.104 4.808 6.858 117 HD12 ILE 16 HD12 ILE 16 -1.597 4.682 7.788 118 HD13 ILE 16 HD13 ILE 16 -0.247 3.602 8.137 119 H ALA 17 HN ALA 17 1.753 7.205 10.890 120 HA ALA 17 HA ALA 17 2.009 10.080 10.413 121 HB1 ALA 17 HB1 ALA 17 2.816 8.647 12.912 122 HB2 ALA 17 HB2 ALA 17 1.976 10.186 12.726 123 HB3 ALA 17 HB3 ALA 17 3.701 10.075 12.375 124 H ILE 18 HN ILE 18 3.394 10.263 8.788 125 HA ILE 18 HA ILE 18 5.414 8.221 8.333 126 HB ILE 18 HB ILE 18 4.881 10.685 6.676 127 HG12 ILE 18 HG12 ILE 18 3.718 7.904 6.398 128 HG13 ILE 18 HG11 ILE 18 2.831 9.351 6.866 129 HG21 ILE 18 HG21 ILE 18 5.866 9.173 4.885 130 HG22 ILE 18 HG22 ILE 18 6.396 8.134 6.208 131 HG23 ILE 18 HG23 ILE 18 6.980 9.795 6.103 132 HD11 ILE 18 HD11 ILE 18 4.273 9.513 4.309 133 HD12 ILE 18 HD12 ILE 18 2.666 10.087 4.751 134 HD13 ILE 18 HD13 ILE 18 2.919 8.385 4.365 135 H ASN 19 HN ASN 19 7.551 8.461 8.653 136 HA ASN 19 HA ASN 19 8.492 11.086 9.610 137 HB2 ASN 19 HB2 ASN 19 8.433 8.848 11.107 138 HB3 ASN 19 HB1 ASN 19 10.011 8.646 10.350 139 HD21 ASN 19 HD21 ASN 19 11.200 8.980 12.174 140 HD22 ASN 19 HD22 ASN 19 11.294 10.504 12.984 141 H GLU 20 HN GLU 20 9.337 11.922 7.757 142 HA GLU 20 HA GLU 20 11.206 10.293 6.203 143 HB2 GLU 20 HB2 GLU 20 10.112 13.049 5.610 144 HB3 GLU 20 HB1 GLU 20 11.069 12.054 4.520 145 HG2 GLU 20 HG2 GLU 20 9.314 10.800 3.913 146 HG3 GLU 20 HG1 GLU 20 8.634 10.777 5.540 147 H ASP 21 HN ASP 21 11.955 11.200 8.826 148 HA ASP 21 HA ASP 21 13.969 13.255 8.248 149 HB2 ASP 21 HB2 ASP 21 12.365 13.453 10.234 150 HB3 ASP 21 HB1 ASP 21 13.292 12.149 10.970 151 H VAL 22 HN VAL 22 13.568 9.944 9.346 152 HA VAL 22 HA VAL 22 16.155 9.395 10.197 153 HB VAL 22 HB VAL 22 14.528 7.755 10.645 154 HG11 VAL 22 HG11 VAL 22 13.972 6.775 7.962 155 HG12 VAL 22 HG12 VAL 22 13.412 8.424 8.227 156 HG13 VAL 22 HG13 VAL 22 12.872 7.129 9.292 157 HG21 VAL 22 HG21 VAL 22 16.718 6.803 10.205 158 HG22 VAL 22 HG22 VAL 22 16.323 6.642 8.494 159 HG23 VAL 22 HG23 VAL 22 15.447 5.692 9.693 160 H SER 23 HN SER 23 14.817 8.686 6.952 161 HA SER 23 HA SER 23 16.742 9.753 5.376 162 HB2 SER 23 HB2 SER 23 18.615 8.630 6.057 163 HB3 SER 23 HB1 SER 23 17.702 7.236 6.631 164 HG SER 23 HG SER 23 18.871 6.663 4.799 165 HA PRO 24 HA PRO 24 14.737 6.331 2.735 166 HB2 PRO 24 HB2 PRO 24 13.800 4.073 3.840 167 HB3 PRO 24 HB1 PRO 24 15.520 4.282 3.484 168 HG2 PRO 24 HG2 PRO 24 14.077 4.597 6.092 169 HG3 PRO 24 HG1 PRO 24 15.614 3.777 5.759 170 HD2 PRO 24 HD2 PRO 24 15.460 6.303 6.769 171 HD3 PRO 24 HD1 PRO 24 16.803 5.739 5.756 172 H ALA 25 HN ALA 25 13.372 7.375 5.677 173 HA ALA 25 HA ALA 25 11.316 8.144 6.245 174 HB1 ALA 25 HB1 ALA 25 10.746 9.401 4.479 175 HB2 ALA 25 HB2 ALA 25 9.671 8.066 4.065 176 HB3 ALA 25 HB3 ALA 25 11.265 8.178 3.319 177 H GLU 26 HN GLU 26 9.984 6.995 7.463 178 HA GLU 26 HA GLU 26 8.913 4.470 6.381 179 HB2 GLU 26 HB2 GLU 26 9.742 5.092 9.220 180 HB3 GLU 26 HB1 GLU 26 8.916 3.622 8.722 181 HG2 GLU 26 HG2 GLU 26 10.778 2.703 7.885 182 HG3 GLU 26 HG1 GLU 26 11.355 4.229 7.215 183 H LEU 27 HN LEU 27 6.849 3.788 7.294 184 HA LEU 27 HA LEU 27 5.174 6.094 8.045 185 HB2 LEU 27 HB2 LEU 27 4.586 5.295 5.855 186 HB3 LEU 27 HB1 LEU 27 4.515 3.638 6.423 187 HG LEU 27 HG LEU 27 2.669 5.673 7.605 188 HD11 LEU 27 HD11 LEU 27 1.633 4.142 5.321 189 HD12 LEU 27 HD12 LEU 27 2.761 5.436 4.914 190 HD13 LEU 27 HD13 LEU 27 1.297 5.797 5.830 191 HD21 LEU 27 HD21 LEU 27 3.053 2.829 7.719 192 HD22 LEU 27 HD22 LEU 27 1.433 3.201 7.129 193 HD23 LEU 27 HD23 LEU 27 1.981 3.853 8.674 194 H THR 28 HN THR 28 4.491 6.026 10.077 195 HA THR 28 HA THR 28 4.261 3.419 11.412 196 HB THR 28 HB THR 28 4.311 6.137 12.724 197 HG1 THR 28 HG1 THR 28 6.495 4.373 12.351 198 HG21 THR 28 HG21 THR 28 5.498 4.252 14.369 199 HG22 THR 28 HG22 THR 28 4.070 3.446 13.721 200 HG23 THR 28 HG23 THR 28 3.906 4.984 14.567 201 H TRP 29 HN TRP 29 2.402 2.816 12.485 202 HA TRP 29 HA TRP 29 0.076 4.594 12.252 203 HB2 TRP 29 HB2 TRP 29 -0.139 3.079 10.395 204 HB3 TRP 29 HB1 TRP 29 0.211 1.691 11.420 205 HD1 TRP 29 HD1 TRP 29 -2.564 4.340 10.902 206 HE1 TRP 29 HE1 TRP 29 -4.803 3.300 11.631 207 HE3 TRP 29 HE3 TRP 29 -0.839 -0.122 12.706 208 HZ2 TRP 29 HZ2 TRP 29 -5.717 0.905 12.814 209 HZ3 TRP 29 HZ3 TRP 29 -2.461 -1.732 13.619 210 HH2 TRP 29 HH2 TRP 29 -4.849 -1.227 13.672 211 H ARG 30 HN ARG 30 -0.795 4.898 14.182 212 HA ARG 30 HA ARG 30 -0.605 2.733 16.173 213 HB2 ARG 30 HB2 ARG 30 -0.551 4.467 17.914 214 HB3 ARG 30 HB1 ARG 30 0.807 4.616 16.806 215 HG2 ARG 30 HG2 ARG 30 0.241 6.784 16.798 216 HG3 ARG 30 HG1 ARG 30 -0.972 6.268 15.625 217 HD2 ARG 30 HD2 ARG 30 -2.527 5.903 17.581 218 HD3 ARG 30 HD1 ARG 30 -1.329 6.728 18.578 219 HE ARG 30 HE ARG 30 -3.187 7.933 16.788 220 HH11 ARG 30 HH11 ARG 30 0.021 8.268 18.120 221 HH12 ARG 30 HH12 ARG 30 0.064 9.986 17.911 222 HH21 ARG 30 HH21 ARG 30 -3.133 10.193 16.512 223 HH22 ARG 30 HH22 ARG 30 -1.727 11.080 16.999 224 H SER 31 HN SER 31 -2.431 2.130 17.216 225 HA SER 31 HA SER 31 -4.934 2.702 16.114 226 HB2 SER 31 HB2 SER 31 -4.763 0.661 17.276 227 HB3 SER 31 HB1 SER 31 -4.084 1.433 18.709 228 HG SER 31 HG SER 31 -6.263 0.906 19.040 229 H THR 32 HN THR 32 -6.743 3.828 16.975 230 HA THR 32 HA THR 32 -6.203 6.424 17.858 231 HB THR 32 HB THR 32 -8.252 5.798 16.652 232 HG1 THR 32 HG1 THR 32 -8.822 6.872 19.212 233 HG21 THR 32 HG21 THR 32 -8.623 3.657 17.964 234 HG22 THR 32 HG22 THR 32 -10.044 4.633 17.590 235 HG23 THR 32 HG23 THR 32 -9.342 4.681 19.207 236 H ASP 33 HN ASP 33 -6.898 3.489 19.624 237 HA ASP 33 HA ASP 33 -7.231 4.874 22.144 238 HB2 ASP 33 HB2 ASP 33 -8.301 2.600 21.322 239 HB3 ASP 33 HB1 ASP 33 -6.816 1.919 21.980 240 H GLY 34 HN GLY 34 -4.801 2.833 20.572 241 HA2 GLY 34 HA2 GLY 34 -2.458 3.343 20.908 242 HA3 GLY 34 HA1 GLY 34 -2.850 3.810 22.556 243 H ASP 35 HN ASP 35 -3.303 0.941 20.482 244 HA ASP 35 HA ASP 35 -2.041 -0.672 22.586 245 HB2 ASP 35 HB2 ASP 35 -4.772 -0.982 21.437 246 HB3 ASP 35 HB1 ASP 35 -3.855 -2.449 21.766 247 H LYS 36 HN LYS 36 -3.368 -0.830 19.279 248 HA LYS 36 HA LYS 36 -1.192 -2.655 18.549 249 HB2 LYS 36 HB2 LYS 36 -3.822 -2.888 18.026 250 HB3 LYS 36 HB1 LYS 36 -3.323 -2.000 16.593 251 HG2 LYS 36 HG2 LYS 36 -2.938 -4.049 15.771 252 HG3 LYS 36 HG1 LYS 36 -1.422 -3.912 16.664 253 HD2 LYS 36 HD2 LYS 36 -2.072 -5.869 17.574 254 HD3 LYS 36 HD1 LYS 36 -3.067 -4.838 18.604 255 HE2 LYS 36 HE2 LYS 36 -4.688 -5.117 16.458 256 HE3 LYS 36 HE1 LYS 36 -3.843 -6.664 16.427 257 HZ1 LYS 36 HZ1 LYS 36 -5.282 -5.547 18.774 258 HZ2 LYS 36 HZ2 LYS 36 -4.513 -7.052 18.704 259 HZ3 LYS 36 HZ3 LYS 36 -5.876 -6.754 17.747 260 H VAL 37 HN VAL 37 0.541 -1.835 17.598 261 HA VAL 37 HA VAL 37 0.247 0.278 15.614 262 HB VAL 37 HB VAL 37 0.651 1.486 17.720 263 HG11 VAL 37 HG11 VAL 37 3.435 0.574 17.960 264 HG12 VAL 37 HG12 VAL 37 2.213 -0.604 18.438 265 HG13 VAL 37 HG13 VAL 37 2.259 0.981 19.210 266 HG21 VAL 37 HG21 VAL 37 1.516 2.847 16.155 267 HG22 VAL 37 HG22 VAL 37 2.457 1.556 15.406 268 HG23 VAL 37 HG23 VAL 37 3.066 2.369 16.848 269 H HIS 38 HN HIS 38 1.686 0.120 13.972 270 HA HIS 38 HA HIS 38 4.012 -1.635 14.306 271 HB2 HIS 38 HB2 HIS 38 3.548 -2.759 12.185 272 HB3 HIS 38 HB1 HIS 38 2.215 -2.993 13.311 273 HD1 HIS 38 HD1 HIS 38 -0.034 -2.548 12.380 274 HD2 HIS 38 HD2 HIS 38 2.939 -0.568 10.258 275 HE1 HIS 38 HE1 HIS 38 -1.207 -1.447 10.448 276 HE2 HIS 38 HE2 HIS 38 0.625 -0.330 9.128 277 H THR 39 HN THR 39 5.738 -1.231 12.871 278 HA THR 39 HA THR 39 5.553 1.354 11.466 279 HB THR 39 HB THR 39 8.013 0.151 12.747 280 HG1 THR 39 HG1 THR 39 7.666 1.516 14.419 281 HG21 THR 39 HG21 THR 39 8.195 2.947 12.489 282 HG22 THR 39 HG22 THR 39 7.703 2.308 10.920 283 HG23 THR 39 HG23 THR 39 9.169 1.708 11.697 284 H VAL 40 HN VAL 40 5.926 1.326 9.351 285 HA VAL 40 HA VAL 40 7.453 -0.922 8.217 286 HB VAL 40 HB VAL 40 5.061 -1.275 7.789 287 HG11 VAL 40 HG11 VAL 40 4.845 0.983 5.914 288 HG12 VAL 40 HG12 VAL 40 4.839 1.410 7.626 289 HG13 VAL 40 HG13 VAL 40 3.640 0.281 6.994 290 HG21 VAL 40 HG21 VAL 40 6.467 -2.184 6.138 291 HG22 VAL 40 HG22 VAL 40 6.817 -0.600 5.446 292 HG23 VAL 40 HG23 VAL 40 5.217 -1.315 5.248 293 H VAL 41 HN VAL 41 8.876 -0.437 6.606 294 HA VAL 41 HA VAL 41 9.617 2.322 6.303 295 HB VAL 41 HB VAL 41 10.743 -0.047 4.810 296 HG11 VAL 41 HG11 VAL 41 11.540 2.794 5.175 297 HG12 VAL 41 HG12 VAL 41 11.648 1.763 3.749 298 HG13 VAL 41 HG13 VAL 41 12.810 1.575 5.063 299 HG21 VAL 41 HG21 VAL 41 10.728 -0.256 7.346 300 HG22 VAL 41 HG22 VAL 41 11.853 1.102 7.356 301 HG23 VAL 41 HG23 VAL 41 12.292 -0.402 6.545 302 H LEU 42 HN LEU 42 9.304 3.649 4.597 303 HA LEU 42 HA LEU 42 7.330 2.881 2.644 304 HB2 LEU 42 HB2 LEU 42 8.862 5.447 3.059 305 HB3 LEU 42 HB1 LEU 42 7.619 5.233 1.841 306 HG LEU 42 HG LEU 42 7.249 5.147 4.834 307 HD11 LEU 42 HD11 LEU 42 5.610 7.024 4.157 308 HD12 LEU 42 HD12 LEU 42 6.563 7.101 2.675 309 HD13 LEU 42 HD13 LEU 42 7.335 7.383 4.236 310 HD21 LEU 42 HD21 LEU 42 5.587 3.711 4.368 311 HD22 LEU 42 HD22 LEU 42 5.608 4.088 2.645 312 HD23 LEU 42 HD23 LEU 42 4.748 5.141 3.768 313 H SER 43 HN SER 43 10.786 3.283 2.761 314 HA SER 43 HA SER 43 11.378 3.599 0.060 315 HB2 SER 43 HB2 SER 43 12.970 3.672 2.068 316 HB3 SER 43 HB1 SER 43 13.046 1.916 1.927 317 HG SER 43 HG SER 43 14.393 2.175 0.350 318 H THR 44 HN THR 44 10.388 0.771 1.840 319 HA THR 44 HA THR 44 11.189 -1.189 -0.029 320 HB THR 44 HB THR 44 9.507 -2.632 1.118 321 HG1 THR 44 HG1 THR 44 8.234 -1.794 2.686 322 HG21 THR 44 HG21 THR 44 11.444 -1.049 2.753 323 HG22 THR 44 HG22 THR 44 11.547 -2.724 2.208 324 HG23 THR 44 HG23 THR 44 10.418 -2.280 3.489 325 H ILE 45 HN ILE 45 8.419 0.922 0.168 326 HA ILE 45 HA ILE 45 6.717 -0.444 -1.616 327 HB ILE 45 HB ILE 45 6.832 2.543 -1.205 328 HG12 ILE 45 HG12 ILE 45 6.708 1.481 0.972 329 HG13 ILE 45 HG11 ILE 45 5.133 2.158 0.572 330 HG21 ILE 45 HG21 ILE 45 5.441 1.886 -3.065 331 HG22 ILE 45 HG22 ILE 45 4.421 2.414 -1.726 332 HG23 ILE 45 HG23 ILE 45 4.612 0.693 -2.065 333 HD11 ILE 45 HD11 ILE 45 4.915 -0.026 1.599 334 HD12 ILE 45 HD12 ILE 45 5.923 -0.736 0.337 335 HD13 ILE 45 HD13 ILE 45 4.345 -0.060 -0.070 336 H ASP 46 HN ASP 46 6.210 0.052 -3.814 337 HA ASP 46 HA ASP 46 8.448 1.255 -5.307 338 HB2 ASP 46 HB2 ASP 46 8.112 -1.318 -5.426 339 HB3 ASP 46 HB1 ASP 46 6.733 -0.931 -6.450 340 H LYS 47 HN LYS 47 4.985 0.461 -5.429 341 HA LYS 47 HA LYS 47 4.571 2.927 -6.974 342 HB2 LYS 47 HB2 LYS 47 4.046 1.589 -8.713 343 HB3 LYS 47 HB1 LYS 47 3.893 0.168 -7.692 344 HG2 LYS 47 HG2 LYS 47 1.634 0.800 -7.096 345 HG3 LYS 47 HG1 LYS 47 1.781 2.289 -8.032 346 HD2 LYS 47 HD2 LYS 47 0.823 1.069 -9.666 347 HD3 LYS 47 HD1 LYS 47 2.458 0.447 -9.899 348 HE2 LYS 47 HE2 LYS 47 1.936 -1.418 -8.376 349 HE3 LYS 47 HE1 LYS 47 0.289 -0.808 -8.218 350 HZ1 LYS 47 HZ1 LYS 47 0.978 -2.646 -9.986 351 HZ2 LYS 47 HZ2 LYS 47 1.253 -1.268 -10.927 352 HZ3 LYS 47 HZ3 LYS 47 -0.277 -1.545 -10.260 353 H LEU 48 HN LEU 48 2.352 3.775 -6.815 354 HA LEU 48 HA LEU 48 1.064 3.037 -4.270 355 HB2 LEU 48 HB2 LEU 48 2.067 5.623 -5.215 356 HB3 LEU 48 HB1 LEU 48 0.415 5.684 -4.630 357 HG LEU 48 HG LEU 48 2.399 4.309 -2.903 358 HD11 LEU 48 HD11 LEU 48 2.254 7.247 -2.605 359 HD12 LEU 48 HD12 LEU 48 3.261 6.624 -3.912 360 HD13 LEU 48 HD13 LEU 48 3.571 6.131 -2.247 361 HD21 LEU 48 HD21 LEU 48 -0.006 6.069 -2.515 362 HD22 LEU 48 HD22 LEU 48 1.057 5.605 -1.187 363 HD23 LEU 48 HD23 LEU 48 0.187 4.368 -2.094 364 H GLN 49 HN GLN 49 -1.020 2.527 -4.421 365 HA GLN 49 HA GLN 49 -2.602 3.603 -6.644 366 HB2 GLN 49 HB2 GLN 49 -1.669 1.196 -7.007 367 HB3 GLN 49 HB1 GLN 49 -2.908 0.726 -5.851 368 HG2 GLN 49 HG2 GLN 49 -4.617 1.170 -7.286 369 HG3 GLN 49 HG1 GLN 49 -3.722 2.424 -8.142 370 HE21 GLN 49 HE21 GLN 49 -4.161 1.612 -10.163 371 HE22 GLN 49 HE22 GLN 49 -3.476 0.139 -10.753 372 H ALA 50 HN ALA 50 -4.794 3.856 -6.227 373 HA ALA 50 HA ALA 50 -5.879 2.980 -3.681 374 HB1 ALA 50 HB1 ALA 50 -6.118 4.993 -2.658 375 HB2 ALA 50 HB2 ALA 50 -6.225 5.879 -4.180 376 HB3 ALA 50 HB3 ALA 50 -4.656 5.343 -3.581 377 H THR 51 HN THR 51 -8.216 3.649 -3.472 378 HA THR 51 HA THR 51 -9.583 2.971 -5.883 379 HB THR 51 HB THR 51 -11.593 3.048 -4.571 380 HG1 THR 51 HG1 THR 51 -11.814 4.262 -2.855 381 HG21 THR 51 HG21 THR 51 -9.748 2.197 -2.424 382 HG22 THR 51 HG22 THR 51 -9.663 1.344 -3.965 383 HG23 THR 51 HG23 THR 51 -11.183 1.404 -3.073 384 HA PRO 52 HA PRO 52 -10.429 6.956 -7.564 385 HB2 PRO 52 HB2 PRO 52 -12.887 6.586 -8.655 386 HB3 PRO 52 HB1 PRO 52 -11.417 5.890 -9.344 387 HG2 PRO 52 HG2 PRO 52 -13.481 4.607 -7.596 388 HG3 PRO 52 HG1 PRO 52 -12.678 3.960 -9.038 389 HD2 PRO 52 HD2 PRO 52 -11.927 3.283 -6.528 390 HD3 PRO 52 HD1 PRO 52 -10.773 3.384 -7.873 391 H ALA 53 HN ALA 53 -11.922 8.798 -7.482 392 HA ALA 53 HA ALA 53 -12.889 9.228 -4.832 393 HB1 ALA 53 HB1 ALA 53 -11.932 11.093 -5.921 394 HB2 ALA 53 HB2 ALA 53 -13.658 11.433 -5.801 395 HB3 ALA 53 HB3 ALA 53 -12.970 10.895 -7.333 396 H SER 54 HN SER 54 -14.351 8.375 -7.886 397 HA SER 54 HA SER 54 -17.028 9.004 -7.227 398 HB2 SER 54 HB2 SER 54 -15.918 6.984 -9.190 399 HB3 SER 54 HB1 SER 54 -17.609 7.478 -9.106 400 HG SER 54 HG SER 54 -17.113 9.201 -10.188 401 H SER 55 HN SER 55 -14.992 6.237 -6.593 402 HA SER 55 HA SER 55 -17.027 4.413 -5.872 403 HB2 SER 55 HB2 SER 55 -14.080 4.574 -5.543 404 HB3 SER 55 HB1 SER 55 -14.940 3.510 -4.430 405 HG SER 55 HG SER 55 -15.323 3.425 -7.233 406 H GLU 56 HN GLU 56 -18.174 4.169 -4.054 407 HA GLU 56 HA GLU 56 -18.312 6.192 -2.123 408 HB2 GLU 56 HB2 GLU 56 -19.447 3.457 -2.411 409 HB3 GLU 56 HB1 GLU 56 -19.499 4.189 -0.813 410 HG2 GLU 56 HG2 GLU 56 -20.966 5.822 -1.453 411 HG3 GLU 56 HG1 GLU 56 -20.451 5.777 -3.139 412 H LYS 57 HN LYS 57 -17.057 2.870 -1.773 413 HA LYS 57 HA LYS 57 -16.001 3.296 0.818 414 HB2 LYS 57 HB2 LYS 57 -16.537 1.061 -0.060 415 HB3 LYS 57 HB1 LYS 57 -15.243 1.215 -1.241 416 HG2 LYS 57 HG2 LYS 57 -14.058 0.085 0.288 417 HG3 LYS 57 HG1 LYS 57 -13.875 1.672 1.038 418 HD2 LYS 57 HD2 LYS 57 -15.269 1.170 2.753 419 HD3 LYS 57 HD1 LYS 57 -16.315 0.165 1.747 420 HE2 LYS 57 HE2 LYS 57 -14.040 -1.309 1.764 421 HE3 LYS 57 HE1 LYS 57 -13.965 -0.562 3.359 422 HZ1 LYS 57 HZ1 LYS 57 -16.241 -1.384 3.754 423 HZ2 LYS 57 HZ2 LYS 57 -15.126 -2.633 3.513 424 HZ3 LYS 57 HZ3 LYS 57 -16.190 -2.199 2.272 425 H MET 58 HN MET 58 -14.316 4.495 1.367 426 HA MET 58 HA MET 58 -12.328 5.197 -0.655 427 HB2 MET 58 HB2 MET 58 -13.010 6.315 2.056 428 HB3 MET 58 HB1 MET 58 -11.537 6.772 1.212 429 HG2 MET 58 HG2 MET 58 -12.801 8.419 0.387 430 HG3 MET 58 HG1 MET 58 -13.367 7.178 -0.731 431 HE1 MET 58 HE1 MET 58 -14.688 9.567 2.353 432 HE2 MET 58 HE2 MET 58 -13.736 8.176 2.872 433 HE3 MET 58 HE3 MET 58 -15.470 8.226 3.190 434 H MET 59 HN MET 59 -10.606 3.932 -0.821 435 HA MET 59 HA MET 59 -9.122 3.204 1.567 436 HB2 MET 59 HB2 MET 59 -10.089 1.111 -0.390 437 HB3 MET 59 HB1 MET 59 -8.972 0.828 0.938 438 HG2 MET 59 HG2 MET 59 -10.907 1.791 2.394 439 HG3 MET 59 HG1 MET 59 -11.902 1.355 1.007 440 HE1 MET 59 HE1 MET 59 -11.342 -0.724 -0.248 441 HE2 MET 59 HE2 MET 59 -12.332 -1.895 0.622 442 HE3 MET 59 HE3 MET 59 -10.605 -2.184 0.412 443 H LEU 60 HN LEU 60 -7.002 2.175 0.986 444 HA LEU 60 HA LEU 60 -6.084 2.929 -1.698 445 HB2 LEU 60 HB2 LEU 60 -5.571 4.699 0.050 446 HB3 LEU 60 HB1 LEU 60 -4.495 3.528 0.788 447 HG LEU 60 HG LEU 60 -4.067 4.031 -2.094 448 HD11 LEU 60 HD11 LEU 60 -4.538 6.288 -1.303 449 HD12 LEU 60 HD12 LEU 60 -2.827 6.093 -1.685 450 HD13 LEU 60 HD13 LEU 60 -3.361 6.086 -0.004 451 HD21 LEU 60 HD21 LEU 60 -1.907 4.214 -0.098 452 HD22 LEU 60 HD22 LEU 60 -1.970 3.343 -1.630 453 HD23 LEU 60 HD23 LEU 60 -2.737 2.661 -0.196 454 H ARG 61 HN ARG 61 -3.896 2.007 -2.185 455 HA ARG 61 HA ARG 61 -3.231 -0.390 -0.661 456 HB2 ARG 61 HB2 ARG 61 -4.873 -0.644 -2.823 457 HB3 ARG 61 HB1 ARG 61 -3.295 -0.843 -3.572 458 HG2 ARG 61 HG2 ARG 61 -3.734 -2.380 -1.101 459 HG3 ARG 61 HG1 ARG 61 -4.714 -2.853 -2.490 460 HD2 ARG 61 HD2 ARG 61 -1.858 -2.385 -3.039 461 HD3 ARG 61 HD1 ARG 61 -2.219 -3.772 -2.012 462 HE ARG 61 HE ARG 61 -2.758 -3.506 -4.821 463 HH11 ARG 61 HH11 ARG 61 -3.694 -5.124 -1.874 464 HH12 ARG 61 HH12 ARG 61 -4.378 -6.488 -2.692 465 HH21 ARG 61 HH21 ARG 61 -3.657 -5.299 -5.899 466 HH22 ARG 61 HH22 ARG 61 -4.357 -6.588 -4.978 467 H LEU 62 HN LEU 62 -1.098 -0.647 -0.496 468 HA LEU 62 HA LEU 62 0.620 0.950 -2.270 469 HB2 LEU 62 HB2 LEU 62 1.235 -0.206 0.451 470 HB3 LEU 62 HB1 LEU 62 2.309 0.800 -0.503 471 HG LEU 62 HG LEU 62 -0.373 1.874 0.251 472 HD11 LEU 62 HD11 LEU 62 1.020 0.814 2.240 473 HD12 LEU 62 HD12 LEU 62 0.155 2.342 2.412 474 HD13 LEU 62 HD13 LEU 62 1.892 2.341 2.107 475 HD21 LEU 62 HD21 LEU 62 0.631 3.950 -0.035 476 HD22 LEU 62 HD22 LEU 62 1.376 2.968 -1.296 477 HD23 LEU 62 HD23 LEU 62 2.256 3.306 0.195 478 H ILE 63 HN ILE 63 2.092 -0.004 -3.548 479 HA ILE 63 HA ILE 63 2.348 -2.933 -3.358 480 HB ILE 63 HB ILE 63 2.928 -1.270 -5.803 481 HG12 ILE 63 HG12 ILE 63 0.574 -0.966 -5.199 482 HG13 ILE 63 HG11 ILE 63 0.718 -1.963 -6.643 483 HG21 ILE 63 HG21 ILE 63 2.727 -4.190 -5.205 484 HG22 ILE 63 HG22 ILE 63 3.970 -3.310 -6.095 485 HG23 ILE 63 HG23 ILE 63 2.392 -3.595 -6.831 486 HD11 ILE 63 HD11 ILE 63 0.068 -3.885 -5.532 487 HD12 ILE 63 HD12 ILE 63 -0.956 -2.641 -4.816 488 HD13 ILE 63 HD13 ILE 63 0.464 -3.223 -3.946 489 H GLY 64 HN GLY 64 4.330 -3.867 -3.231 490 HA2 GLY 64 HA2 GLY 64 6.588 -2.049 -2.799 491 HA3 GLY 64 HA1 GLY 64 6.503 -3.728 -2.288 492 H LYS 65 HN LYS 65 8.779 -3.289 -3.344 493 HA LYS 65 HA LYS 65 8.761 -3.541 -6.231 494 HB2 LYS 65 HB2 LYS 65 11.140 -3.757 -4.386 495 HB3 LYS 65 HB1 LYS 65 11.146 -3.389 -6.105 496 HG2 LYS 65 HG2 LYS 65 10.466 -1.219 -5.785 497 HG3 LYS 65 HG1 LYS 65 9.697 -1.576 -4.237 498 HD2 LYS 65 HD2 LYS 65 11.648 -1.394 -3.071 499 HD3 LYS 65 HD1 LYS 65 12.633 -1.957 -4.423 500 HE2 LYS 65 HE2 LYS 65 11.266 0.721 -4.416 501 HE3 LYS 65 HE1 LYS 65 12.885 0.483 -3.760 502 HZ1 LYS 65 HZ1 LYS 65 12.809 1.247 -6.113 503 HZ2 LYS 65 HZ2 LYS 65 12.123 -0.240 -6.534 504 HZ3 LYS 65 HZ3 LYS 65 13.681 -0.184 -5.878 505 H VAL 66 HN VAL 66 10.730 -5.244 -6.849 506 HA VAL 66 HA VAL 66 10.253 -7.797 -5.531 507 HB VAL 66 HB VAL 66 9.851 -8.890 -7.786 508 HG11 VAL 66 HG11 VAL 66 7.778 -7.061 -6.588 509 HG12 VAL 66 HG12 VAL 66 8.073 -8.755 -6.194 510 HG13 VAL 66 HG13 VAL 66 7.420 -8.318 -7.772 511 HG21 VAL 66 HG21 VAL 66 10.540 -6.930 -9.135 512 HG22 VAL 66 HG22 VAL 66 9.093 -6.083 -8.587 513 HG23 VAL 66 HG23 VAL 66 8.943 -7.542 -9.567 514 H ASP 67 HN ASP 67 11.600 -9.557 -6.666 515 HA ASP 67 HA ASP 67 14.075 -8.440 -7.780 516 HB2 ASP 67 HB2 ASP 67 13.921 -10.433 -5.508 517 HB3 ASP 67 HB1 ASP 67 15.401 -9.963 -6.338 518 H GLU 68 HN GLU 68 13.180 -9.248 -9.779 519 HA GLU 68 HA GLU 68 12.864 -12.115 -10.068 520 HB2 GLU 68 HB2 GLU 68 12.564 -9.778 -11.940 521 HB3 GLU 68 HB1 GLU 68 12.532 -11.435 -12.529 522 HG2 GLU 68 HG2 GLU 68 10.538 -11.914 -11.476 523 HG3 GLU 68 HG1 GLU 68 10.730 -10.618 -10.296 524 H SER 69 HN SER 69 15.014 -12.763 -9.534 525 HA SER 69 HA SER 69 16.685 -13.108 -11.790 526 HB2 SER 69 HB2 SER 69 17.097 -10.652 -10.767 527 HB3 SER 69 HB1 SER 69 18.197 -11.576 -9.744 528 HG SER 69 HG SER 69 18.914 -10.693 -11.933 529 H LYS 70 HN LYS 70 16.534 -13.024 -8.255 530 HA LYS 70 HA LYS 70 18.524 -15.020 -7.864 531 HB2 LYS 70 HB2 LYS 70 17.048 -13.268 -6.242 532 HB3 LYS 70 HB1 LYS 70 16.619 -14.882 -5.695 533 HG2 LYS 70 HG2 LYS 70 19.493 -14.358 -6.121 534 HG3 LYS 70 HG1 LYS 70 18.724 -13.528 -4.766 535 HD2 LYS 70 HD2 LYS 70 18.178 -16.429 -5.108 536 HD3 LYS 70 HD1 LYS 70 19.774 -15.955 -4.522 537 HE2 LYS 70 HE2 LYS 70 17.498 -14.606 -3.231 538 HE3 LYS 70 HE1 LYS 70 17.616 -16.340 -2.933 539 HZ1 LYS 70 HZ1 LYS 70 18.826 -14.772 -1.352 540 HZ2 LYS 70 HZ2 LYS 70 19.955 -14.568 -2.595 541 HZ3 LYS 70 HZ3 LYS 70 19.689 -16.104 -1.939 542 H LYS 71 HN LYS 71 14.979 -15.128 -7.462 543 HA LYS 71 HA LYS 71 13.481 -16.831 -7.621 544 HB2 LYS 71 HB2 LYS 71 15.576 -18.168 -9.341 545 HB3 LYS 71 HB1 LYS 71 13.856 -18.530 -9.309 546 HG2 LYS 71 HG2 LYS 71 13.671 -17.139 -11.030 547 HG3 LYS 71 HG1 LYS 71 13.922 -15.834 -9.870 548 HD2 LYS 71 HD2 LYS 71 15.647 -15.287 -11.207 549 HD3 LYS 71 HD1 LYS 71 16.481 -16.594 -10.366 550 HE2 LYS 71 HE2 LYS 71 14.826 -17.240 -12.758 551 HE3 LYS 71 HE1 LYS 71 16.407 -16.497 -12.993 552 HZ1 LYS 71 HZ1 LYS 71 15.931 -18.979 -11.435 553 HZ2 LYS 71 HZ2 LYS 71 17.433 -18.295 -11.808 554 HZ3 LYS 71 HZ3 LYS 71 16.469 -18.941 -13.039 555 H ARG 72 HN ARG 72 13.051 -19.079 -6.986 556 HA ARG 72 HA ARG 72 15.183 -20.361 -5.452 557 HB2 ARG 72 HB2 ARG 72 12.595 -19.328 -4.334 558 HB3 ARG 72 HB1 ARG 72 13.393 -20.713 -3.602 559 HG2 ARG 72 HG2 ARG 72 15.320 -19.424 -3.072 560 HG3 ARG 72 HG1 ARG 72 14.742 -18.060 -4.029 561 HD2 ARG 72 HD2 ARG 72 13.283 -17.380 -2.430 562 HD3 ARG 72 HD1 ARG 72 12.959 -19.022 -1.875 563 HE ARG 72 HE ARG 72 15.606 -18.207 -1.226 564 HH11 ARG 72 HH11 ARG 72 12.274 -17.852 -0.252 565 HH12 ARG 72 HH12 ARG 72 12.663 -17.515 1.402 566 HH21 ARG 72 HH21 ARG 72 16.119 -17.764 0.948 567 HH22 ARG 72 HH22 ARG 72 14.846 -17.465 2.083 568 H LYS 73 HN LYS 73 15.011 -22.566 -5.309 569 HA LYS 73 HA LYS 73 12.620 -23.806 -6.490 570 HB2 LYS 73 HB2 LYS 73 14.230 -25.511 -7.502 571 HB3 LYS 73 HB1 LYS 73 14.167 -23.926 -8.261 572 HG2 LYS 73 HG2 LYS 73 16.215 -23.271 -7.202 573 HG3 LYS 73 HG1 LYS 73 16.246 -24.756 -6.249 574 HD2 LYS 73 HD2 LYS 73 16.067 -25.127 -9.165 575 HD3 LYS 73 HD1 LYS 73 17.575 -24.417 -8.583 576 HE2 LYS 73 HE2 LYS 73 17.342 -26.394 -6.810 577 HE3 LYS 73 HE1 LYS 73 16.447 -27.123 -8.143 578 HZ1 LYS 73 HZ1 LYS 73 18.522 -27.793 -8.694 579 HZ2 LYS 73 HZ2 LYS 73 19.287 -26.487 -7.939 580 HZ3 LYS 73 HZ3 LYS 73 18.568 -26.283 -9.456 581 H ASP 74 HN ASP 74 11.922 -24.298 -4.371 582 HA ASP 74 HA ASP 74 13.583 -26.214 -2.889 583 HB2 ASP 74 HB2 ASP 74 12.703 -24.129 -1.741 584 HB3 ASP 74 HB1 ASP 74 11.093 -24.826 -1.893 585 H ASN 75 HN ASN 75 12.134 -26.966 -5.267 586 HA ASN 75 HA ASN 75 10.955 -29.356 -4.372 587 HB2 ASN 75 HB2 ASN 75 9.181 -27.469 -3.878 588 HB3 ASN 75 HB1 ASN 75 8.852 -27.619 -5.602 589 HD21 ASN 75 HD21 ASN 75 6.768 -28.375 -5.127 590 HD22 ASN 75 HD22 ASN 75 6.500 -29.995 -4.589 591 H GLU 76 HN GLU 76 11.429 -30.725 -5.947 592 HA GLU 76 HA GLU 76 12.260 -29.932 -8.511 593 HB2 GLU 76 HB2 GLU 76 11.333 -32.651 -7.566 594 HB3 GLU 76 HB1 GLU 76 12.211 -32.339 -9.057 595 HG2 GLU 76 HG2 GLU 76 14.013 -31.316 -7.540 596 HG3 GLU 76 HG1 GLU 76 13.179 -32.155 -6.232 597 H GLY 77 HN GLY 77 10.978 -29.014 -9.977 598 HA2 GLY 77 HA2 GLY 77 9.346 -29.369 -11.709 599 HA3 GLY 77 HA1 GLY 77 8.412 -30.331 -10.573 600 H ASN 78 HN ASN 78 9.839 -27.278 -9.667 601 HA ASN 78 HA ASN 78 7.692 -25.583 -10.282 602 HB2 ASN 78 HB2 ASN 78 7.408 -27.178 -7.822 603 HB3 ASN 78 HB1 ASN 78 7.161 -25.448 -7.606 604 HD21 ASN 78 HD21 ASN 78 5.681 -28.295 -8.331 605 HD22 ASN 78 HD22 ASN 78 4.270 -27.691 -9.122 606 H GLU 79 HN GLU 79 8.703 -23.701 -10.410 607 HA GLU 79 HA GLU 79 10.872 -23.126 -8.509 608 HB2 GLU 79 HB2 GLU 79 10.354 -21.721 -11.128 609 HB3 GLU 79 HB1 GLU 79 11.809 -21.656 -10.143 610 HG2 GLU 79 HG2 GLU 79 10.801 -24.136 -11.516 611 HG3 GLU 79 HG1 GLU 79 12.019 -23.049 -12.183 612 H VAL 80 HN VAL 80 10.795 -21.374 -7.208 613 HA VAL 80 HA VAL 80 8.367 -19.715 -7.359 614 HB VAL 80 HB VAL 80 10.123 -20.126 -4.939 615 HG11 VAL 80 HG11 VAL 80 8.363 -18.135 -5.399 616 HG12 VAL 80 HG12 VAL 80 8.714 -18.786 -3.798 617 HG13 VAL 80 HG13 VAL 80 7.295 -19.343 -4.684 618 HG21 VAL 80 HG21 VAL 80 8.225 -21.575 -4.138 619 HG22 VAL 80 HG22 VAL 80 9.209 -22.262 -5.431 620 HG23 VAL 80 HG23 VAL 80 7.627 -21.574 -5.797 621 H VAL 81 HN VAL 81 8.513 -17.523 -7.410 622 HA VAL 81 HA VAL 81 11.221 -16.359 -7.382 623 HB VAL 81 HB VAL 81 8.941 -15.406 -9.117 624 HG11 VAL 81 HG11 VAL 81 11.882 -14.740 -9.183 625 HG12 VAL 81 HG12 VAL 81 10.625 -13.717 -8.488 626 HG13 VAL 81 HG13 VAL 81 10.624 -14.063 -10.217 627 HG21 VAL 81 HG21 VAL 81 11.364 -16.904 -10.076 628 HG22 VAL 81 HG22 VAL 81 9.889 -16.518 -10.962 629 HG23 VAL 81 HG23 VAL 81 9.853 -17.716 -9.669 630 HA PRO 82 HA PRO 82 10.086 -13.698 -4.033 631 HB2 PRO 82 HB2 PRO 82 11.347 -11.717 -5.914 632 HB3 PRO 82 HB1 PRO 82 11.505 -11.839 -4.152 633 HG2 PRO 82 HG2 PRO 82 13.400 -12.873 -5.620 634 HG3 PRO 82 HG1 PRO 82 12.728 -13.831 -4.283 635 HD2 PRO 82 HD2 PRO 82 12.254 -14.109 -7.220 636 HD3 PRO 82 HD1 PRO 82 12.401 -15.366 -5.976 637 H LYS 83 HN LYS 83 7.900 -13.894 -4.410 638 HA LYS 83 HA LYS 83 6.376 -12.468 -6.277 639 HB2 LYS 83 HB2 LYS 83 5.806 -13.801 -3.675 640 HB3 LYS 83 HB1 LYS 83 4.586 -12.713 -4.322 641 HG2 LYS 83 HG2 LYS 83 4.129 -14.063 -6.114 642 HG3 LYS 83 HG1 LYS 83 5.732 -14.802 -6.104 643 HD2 LYS 83 HD2 LYS 83 4.380 -16.511 -5.308 644 HD3 LYS 83 HD1 LYS 83 4.997 -15.785 -3.823 645 HE2 LYS 83 HE2 LYS 83 2.718 -16.039 -3.408 646 HE3 LYS 83 HE1 LYS 83 2.870 -14.348 -3.883 647 HZ1 LYS 83 HZ1 LYS 83 1.837 -16.607 -5.493 648 HZ2 LYS 83 HZ2 LYS 83 2.285 -15.134 -6.193 649 HZ3 LYS 83 HZ3 LYS 83 1.036 -15.183 -5.054 650 HA PRO 84 HA PRO 84 6.473 -8.319 -4.762 651 HB2 PRO 84 HB2 PRO 84 4.144 -7.370 -5.760 652 HB3 PRO 84 HB1 PRO 84 5.542 -7.723 -6.782 653 HG2 PRO 84 HG2 PRO 84 3.097 -9.376 -6.281 654 HG3 PRO 84 HG1 PRO 84 3.937 -9.056 -7.810 655 HD2 PRO 84 HD2 PRO 84 4.263 -11.356 -6.405 656 HD3 PRO 84 HD1 PRO 84 5.549 -10.648 -7.402 657 H GLN 85 HN GLN 85 5.439 -6.848 -3.301 658 HA GLN 85 HA GLN 85 3.495 -8.163 -1.519 659 HB2 GLN 85 HB2 GLN 85 4.433 -6.797 0.299 660 HB3 GLN 85 HB1 GLN 85 5.652 -7.830 -0.437 661 HG2 GLN 85 HG2 GLN 85 6.394 -5.874 -1.786 662 HG3 GLN 85 HG1 GLN 85 5.275 -4.876 -0.859 663 HE21 GLN 85 HE21 GLN 85 5.864 -4.156 1.103 664 HE22 GLN 85 HE22 GLN 85 7.365 -4.526 1.875 665 H ARG 86 HN ARG 86 1.538 -7.296 -1.510 666 HA ARG 86 HA ARG 86 1.268 -4.419 -2.088 667 HB2 ARG 86 HB2 ARG 86 -0.808 -6.477 -2.816 668 HB3 ARG 86 HB1 ARG 86 -0.700 -4.807 -3.353 669 HG2 ARG 86 HG2 ARG 86 0.070 -5.856 -5.214 670 HG3 ARG 86 HG1 ARG 86 1.594 -5.640 -4.353 671 HD2 ARG 86 HD2 ARG 86 1.641 -7.868 -5.049 672 HD3 ARG 86 HD1 ARG 86 1.149 -7.956 -3.361 673 HE ARG 86 HE ARG 86 -0.525 -8.468 -5.701 674 HH11 ARG 86 HH11 ARG 86 -0.239 -8.289 -2.220 675 HH12 ARG 86 HH12 ARG 86 -1.694 -9.180 -1.936 676 HH21 ARG 86 HH21 ARG 86 -2.436 -9.635 -5.318 677 HH22 ARG 86 HH22 ARG 86 -2.941 -9.943 -3.690 678 H HIS 87 HN HIS 87 0.562 -3.363 -0.364 679 HA HIS 87 HA HIS 87 -1.122 -4.784 1.581 680 HB2 HIS 87 HB2 HIS 87 0.531 -2.273 1.918 681 HB3 HIS 87 HB1 HIS 87 -0.438 -3.027 3.180 682 HD1 HIS 87 HD1 HIS 87 0.490 -5.172 4.265 683 HD2 HIS 87 HD2 HIS 87 2.946 -3.573 1.319 684 HE1 HIS 87 HE1 HIS 87 2.689 -6.368 4.502 685 HE2 HIS 87 HE2 HIS 87 4.131 -5.446 2.653 686 H MET 88 HN MET 88 -3.039 -3.883 2.327 687 HA MET 88 HA MET 88 -4.073 -1.639 0.719 688 HB2 MET 88 HB2 MET 88 -6.303 -2.626 0.965 689 HB3 MET 88 HB1 MET 88 -5.195 -3.746 0.186 690 HG2 MET 88 HG2 MET 88 -5.126 -5.156 2.000 691 HG3 MET 88 HG1 MET 88 -5.591 -3.891 3.135 692 HE1 MET 88 HE1 MET 88 -9.061 -3.123 1.610 693 HE2 MET 88 HE2 MET 88 -7.637 -2.507 2.448 694 HE3 MET 88 HE3 MET 88 -8.868 -3.400 3.341 695 H PHE 89 HN PHE 89 -5.414 -0.115 1.738 696 HA PHE 89 HA PHE 89 -5.630 -0.252 4.652 697 HB2 PHE 89 HB2 PHE 89 -4.051 1.732 3.097 698 HB3 PHE 89 HB1 PHE 89 -4.983 2.337 4.463 699 HD1 PHE 89 HD2 PHE 89 -2.271 0.066 3.451 700 HD2 PHE 89 HD1 PHE 89 -4.329 1.884 6.701 701 HE1 PHE 89 HE2 PHE 89 -0.485 -0.657 4.981 702 HE2 PHE 89 HE1 PHE 89 -2.547 1.165 8.238 703 HZ PHE 89 HZ PHE 89 -0.622 -0.108 7.378 704 H SER 90 HN SER 90 -7.296 1.015 5.534 705 HA SER 90 HA SER 90 -9.280 1.897 3.552 706 HB2 SER 90 HB2 SER 90 -9.610 0.082 5.547 707 HB3 SER 90 HB1 SER 90 -10.132 1.557 6.361 708 HG SER 90 HG SER 90 -11.932 1.295 5.329 709 H PHE 91 HN PHE 91 -10.341 3.867 3.784 710 HA PHE 91 HA PHE 91 -9.422 5.671 5.896 711 HB2 PHE 91 HB2 PHE 91 -9.158 6.167 2.933 712 HB3 PHE 91 HB1 PHE 91 -9.173 7.480 4.106 713 HD1 PHE 91 HD1 PHE 91 -7.373 4.391 3.136 714 HD2 PHE 91 HD2 PHE 91 -7.233 8.074 5.264 715 HE1 PHE 91 HE1 PHE 91 -4.957 4.088 3.495 716 HE2 PHE 91 HE2 PHE 91 -4.818 7.778 5.627 717 HZ PHE 91 HZ PHE 91 -3.677 5.783 4.742 718 H ASN 92 HN ASN 92 -10.905 7.199 6.511 719 HA ASN 92 HA ASN 92 -13.558 6.963 5.265 720 HB2 ASN 92 HB2 ASN 92 -12.782 7.860 8.048 721 HB3 ASN 92 HB1 ASN 92 -14.428 7.833 7.424 722 HD21 ASN 92 HD21 ASN 92 -13.240 6.409 9.679 723 HD22 ASN 92 HD22 ASN 92 -13.514 4.730 9.378 724 H ASN 93 HN ASN 93 -11.452 8.651 4.215 725 HA ASN 93 HA ASN 93 -12.940 11.032 3.836 726 HB2 ASN 93 HB2 ASN 93 -10.804 11.038 5.894 727 HB3 ASN 93 HB1 ASN 93 -10.817 12.401 4.778 728 HD21 ASN 93 HD21 ASN 93 -13.065 13.356 4.448 729 HD22 ASN 93 HD22 ASN 93 -14.000 13.596 5.881 730 H ARG 94 HN ARG 94 -12.608 11.226 1.723 731 HA ARG 94 HA ARG 94 -10.380 10.254 0.327 732 HB2 ARG 94 HB2 ARG 94 -12.585 10.690 -0.703 733 HB3 ARG 94 HB1 ARG 94 -12.312 12.418 -0.525 734 HG2 ARG 94 HG2 ARG 94 -10.349 12.234 -2.001 735 HG3 ARG 94 HG1 ARG 94 -10.706 10.520 -2.222 736 HD2 ARG 94 HD2 ARG 94 -11.568 11.803 -4.089 737 HD3 ARG 94 HD1 ARG 94 -12.897 11.111 -3.161 738 HE ARG 94 HE ARG 94 -12.220 13.919 -3.428 739 HH11 ARG 94 HH11 ARG 94 -14.088 11.508 -1.724 740 HH12 ARG 94 HH12 ARG 94 -15.246 12.649 -1.129 741 HH21 ARG 94 HH21 ARG 94 -13.743 15.416 -2.644 742 HH22 ARG 94 HH22 ARG 94 -15.051 14.865 -1.651 743 H THR 95 HN THR 95 -11.019 13.348 1.818 744 HA THR 95 HA THR 95 -8.973 14.825 0.547 745 HB THR 95 HB THR 95 -10.190 15.236 3.285 746 HG1 THR 95 HG1 THR 95 -11.883 15.736 2.177 747 HG21 THR 95 HG21 THR 95 -9.499 17.471 3.209 748 HG22 THR 95 HG22 THR 95 -9.007 17.348 1.520 749 HG23 THR 95 HG23 THR 95 -8.076 16.527 2.772 750 H VAL 96 HN VAL 96 -9.019 12.716 3.346 751 HA VAL 96 HA VAL 96 -6.376 13.429 4.222 752 HB VAL 96 HB VAL 96 -7.981 10.983 4.976 753 HG11 VAL 96 HG11 VAL 96 -6.436 10.543 6.556 754 HG12 VAL 96 HG12 VAL 96 -6.135 12.249 6.887 755 HG13 VAL 96 HG13 VAL 96 -5.376 11.473 5.497 756 HG21 VAL 96 HG21 VAL 96 -7.898 13.251 6.837 757 HG22 VAL 96 HG22 VAL 96 -9.233 12.184 6.405 758 HG23 VAL 96 HG23 VAL 96 -8.816 13.541 5.359 759 H MET 97 HN MET 97 -7.822 10.776 2.384 760 HA MET 97 HA MET 97 -5.560 9.139 2.193 761 HB2 MET 97 HB2 MET 97 -7.891 8.492 1.562 762 HB3 MET 97 HB1 MET 97 -7.726 9.472 0.112 763 HG2 MET 97 HG2 MET 97 -6.259 8.014 -0.877 764 HG3 MET 97 HG1 MET 97 -5.710 7.353 0.661 765 HE1 MET 97 HE1 MET 97 -9.730 6.777 -1.261 766 HE2 MET 97 HE2 MET 97 -8.448 6.233 -2.344 767 HE3 MET 97 HE3 MET 97 -8.433 7.882 -1.719 768 H ASP 98 HN ASP 98 -6.494 12.005 0.427 769 HA ASP 98 HA ASP 98 -4.596 11.695 -1.682 770 HB2 ASP 98 HB2 ASP 98 -6.775 13.239 -1.409 771 HB3 ASP 98 HB1 ASP 98 -5.546 14.412 -0.946 772 H ASN 99 HN ASN 99 -4.559 13.153 1.494 773 HA ASN 99 HA ASN 99 -2.156 14.641 1.137 774 HB2 ASN 99 HB2 ASN 99 -3.888 13.886 3.439 775 HB3 ASN 99 HB1 ASN 99 -2.235 14.379 3.793 776 HD21 ASN 99 HD21 ASN 99 -1.591 16.405 2.448 777 HD22 ASN 99 HD22 ASN 99 -2.729 17.704 2.514 778 H ILE 100 HN ILE 100 -2.910 11.425 2.380 779 HA ILE 100 HA ILE 100 -0.248 10.847 3.232 780 HB ILE 100 HB ILE 100 -2.419 8.859 2.566 781 HG12 ILE 100 HG12 ILE 100 -3.210 10.582 4.165 782 HG13 ILE 100 HG11 ILE 100 -3.095 8.986 4.898 783 HG21 ILE 100 HG21 ILE 100 -1.220 7.504 4.301 784 HG22 ILE 100 HG22 ILE 100 0.064 8.712 4.261 785 HG23 ILE 100 HG23 ILE 100 -0.314 7.779 2.813 786 HD11 ILE 100 HD11 ILE 100 -0.821 10.898 5.145 787 HD12 ILE 100 HD12 ILE 100 -1.297 9.574 6.208 788 HD13 ILE 100 HD13 ILE 100 -2.238 11.065 6.180 789 H LYS 101 HN LYS 101 -2.191 9.689 0.473 790 HA LYS 101 HA LYS 101 -0.180 8.222 -0.782 791 HB2 LYS 101 HB2 LYS 101 -2.553 8.061 -1.390 792 HB3 LYS 101 HB1 LYS 101 -2.500 9.689 -2.050 793 HG2 LYS 101 HG2 LYS 101 -0.503 8.550 -3.449 794 HG3 LYS 101 HG1 LYS 101 -1.546 7.151 -3.189 795 HD2 LYS 101 HD2 LYS 101 -2.888 9.642 -4.040 796 HD3 LYS 101 HD1 LYS 101 -1.846 8.870 -5.237 797 HE2 LYS 101 HE2 LYS 101 -3.655 7.065 -3.774 798 HE3 LYS 101 HE1 LYS 101 -4.443 8.229 -4.839 799 HZ1 LYS 101 HZ1 LYS 101 -4.060 6.476 -6.246 800 HZ2 LYS 101 HZ2 LYS 101 -2.593 6.048 -5.520 801 HZ3 LYS 101 HZ3 LYS 101 -2.674 7.406 -6.525 802 H MET 102 HN MET 102 -1.143 11.608 -1.260 803 HA MET 102 HA MET 102 0.649 12.213 -3.321 804 HB2 MET 102 HB2 MET 102 -1.219 13.674 -2.701 805 HB3 MET 102 HB1 MET 102 -0.441 14.032 -1.165 806 HG2 MET 102 HG2 MET 102 1.064 15.448 -2.093 807 HG3 MET 102 HG1 MET 102 1.110 14.576 -3.625 808 HE1 MET 102 HE1 MET 102 -2.618 15.589 -2.350 809 HE2 MET 102 HE2 MET 102 -2.312 17.326 -2.308 810 HE3 MET 102 HE3 MET 102 -1.361 16.239 -1.296 811 H THR 103 HN THR 103 1.016 12.446 0.196 812 HA THR 103 HA THR 103 3.628 13.560 0.117 813 HB THR 103 HB THR 103 2.249 12.029 2.332 814 HG1 THR 103 HG1 THR 103 2.393 14.803 1.768 815 HG21 THR 103 HG21 THR 103 4.874 12.651 2.312 816 HG22 THR 103 HG22 THR 103 3.880 12.558 3.765 817 HG23 THR 103 HG23 THR 103 4.188 14.120 3.005 818 H LEU 104 HN LEU 104 2.373 10.274 0.285 819 HA LEU 104 HA LEU 104 4.871 9.018 0.781 820 HB2 LEU 104 HB2 LEU 104 2.190 8.230 0.608 821 HB3 LEU 104 HB1 LEU 104 3.007 7.342 -0.664 822 HG LEU 104 HG LEU 104 4.292 7.330 2.010 823 HD11 LEU 104 HD11 LEU 104 2.326 6.801 2.989 824 HD12 LEU 104 HD12 LEU 104 2.685 5.211 2.317 825 HD13 LEU 104 HD13 LEU 104 1.579 6.296 1.474 826 HD21 LEU 104 HD21 LEU 104 4.797 6.089 -0.336 827 HD22 LEU 104 HD22 LEU 104 3.811 4.870 0.472 828 HD23 LEU 104 HD23 LEU 104 5.284 5.463 1.239 829 H GLN 105 HN GLN 105 3.034 9.714 -2.162 830 HA GLN 105 HA GLN 105 4.608 8.331 -3.996 831 HB2 GLN 105 HB2 GLN 105 2.810 10.711 -4.165 832 HB3 GLN 105 HB1 GLN 105 3.816 10.313 -5.551 833 HG2 GLN 105 HG2 GLN 105 1.949 8.358 -4.238 834 HG3 GLN 105 HG1 GLN 105 1.498 9.380 -5.602 835 HE21 GLN 105 HE21 GLN 105 1.106 7.527 -6.855 836 HE22 GLN 105 HE22 GLN 105 2.401 6.606 -7.532 837 H GLN 106 HN GLN 106 5.152 11.378 -2.391 838 HA GLN 106 HA GLN 106 7.237 12.273 -4.128 839 HB2 GLN 106 HB2 GLN 106 6.204 13.112 -1.445 840 HB3 GLN 106 HB1 GLN 106 7.740 13.747 -2.021 841 HG2 GLN 106 HG2 GLN 106 6.143 14.148 -4.183 842 HG3 GLN 106 HG1 GLN 106 5.007 14.373 -2.853 843 HE21 GLN 106 HE21 GLN 106 4.814 16.402 -2.272 844 HE22 GLN 106 HE22 GLN 106 6.062 17.597 -2.286 845 H ILE 107 HN ILE 107 7.076 10.275 -1.269 846 HA ILE 107 HA ILE 107 9.908 10.338 -0.767 847 HB ILE 107 HB ILE 107 7.916 8.331 0.284 848 HG12 ILE 107 HG12 ILE 107 8.763 10.875 1.666 849 HG13 ILE 107 HG11 ILE 107 7.318 10.789 0.663 850 HG21 ILE 107 HG21 ILE 107 9.515 7.631 1.716 851 HG22 ILE 107 HG22 ILE 107 10.223 9.238 1.882 852 HG23 ILE 107 HG23 ILE 107 10.596 8.252 0.468 853 HD11 ILE 107 HD11 ILE 107 6.785 10.531 3.018 854 HD12 ILE 107 HD12 ILE 107 7.859 9.136 3.118 855 HD13 ILE 107 HD13 ILE 107 6.407 9.061 2.119 856 H ILE 108 HN ILE 108 7.674 8.285 -2.517 857 HA ILE 108 HA ILE 108 9.629 6.201 -2.951 858 HB ILE 108 HB ILE 108 6.972 6.562 -4.337 859 HG12 ILE 108 HG12 ILE 108 7.621 5.016 -1.817 860 HG13 ILE 108 HG11 ILE 108 6.678 6.501 -1.894 861 HG21 ILE 108 HG21 ILE 108 8.296 5.004 -5.523 862 HG22 ILE 108 HG22 ILE 108 7.179 4.053 -4.544 863 HG23 ILE 108 HG23 ILE 108 8.858 4.239 -4.036 864 HD11 ILE 108 HD11 ILE 108 5.180 4.664 -1.681 865 HD12 ILE 108 HD12 ILE 108 5.944 3.817 -3.026 866 HD13 ILE 108 HD13 ILE 108 5.034 5.299 -3.320 867 H SER 109 HN SER 109 8.402 9.001 -4.643 868 HA SER 109 HA SER 109 9.561 8.312 -7.175 869 HB2 SER 109 HB2 SER 109 7.558 9.869 -6.751 870 HB3 SER 109 HB1 SER 109 8.757 11.091 -6.330 871 HG SER 109 HG SER 109 8.194 9.916 -8.802 872 H ARG 110 HN ARG 110 10.461 10.373 -4.452 873 HA ARG 110 HA ARG 110 12.685 11.622 -5.597 874 HB2 ARG 110 HB2 ARG 110 13.362 12.166 -3.359 875 HB3 ARG 110 HB1 ARG 110 11.609 12.257 -3.435 876 HG2 ARG 110 HG2 ARG 110 11.586 10.983 -1.619 877 HG3 ARG 110 HG1 ARG 110 12.090 9.651 -2.660 878 HD2 ARG 110 HD2 ARG 110 14.179 9.634 -1.833 879 HD3 ARG 110 HD1 ARG 110 14.275 11.394 -1.776 880 HE ARG 110 HE ARG 110 12.544 10.366 0.238 881 HH11 ARG 110 HH11 ARG 110 15.905 10.848 -0.568 882 HH12 ARG 110 HH12 ARG 110 16.421 10.915 1.084 883 HH21 ARG 110 HH21 ARG 110 13.221 10.455 2.411 884 HH22 ARG 110 HH22 ARG 110 14.898 10.692 2.775 885 H TYR 111 HN TYR 111 12.281 8.431 -4.251 886 HA TYR 111 HA TYR 111 15.142 7.905 -4.279 887 HB2 TYR 111 HB2 TYR 111 12.727 6.486 -3.266 888 HB3 TYR 111 HB1 TYR 111 14.134 5.512 -3.682 889 HD1 TYR 111 HD2 TYR 111 16.415 6.909 -2.796 890 HD2 TYR 111 HD1 TYR 111 12.562 6.807 -0.994 891 HE1 TYR 111 HE2 TYR 111 17.427 7.435 -0.618 892 HE2 TYR 111 HE1 TYR 111 13.564 7.334 1.190 893 HH TYR 111 HH TYR 111 15.587 8.372 2.086 894 H LYS 112 HN LYS 112 12.567 7.739 -6.460 895 HA LYS 112 HA LYS 112 13.350 5.410 -7.909 896 HB2 LYS 112 HB2 LYS 112 11.434 7.648 -8.315 897 HB3 LYS 112 HB1 LYS 112 11.946 6.757 -9.742 898 HG2 LYS 112 HG2 LYS 112 11.334 4.760 -7.953 899 HG3 LYS 112 HG1 LYS 112 10.117 5.992 -7.616 900 HD2 LYS 112 HD2 LYS 112 10.701 5.237 -10.446 901 HD3 LYS 112 HD1 LYS 112 9.694 4.179 -9.456 902 HE2 LYS 112 HE2 LYS 112 8.044 5.505 -10.254 903 HE3 LYS 112 HE1 LYS 112 8.533 6.525 -8.902 904 HZ1 LYS 112 HZ1 LYS 112 8.357 7.389 -11.408 905 HZ2 LYS 112 HZ2 LYS 112 9.985 6.931 -11.383 906 HZ3 LYS 112 HZ3 LYS 112 9.409 8.064 -10.267 907 H ASP 113 HN ASP 113 14.238 8.782 -7.984 908 HA ASP 113 HA ASP 113 15.840 8.349 -10.404 909 HB2 ASP 113 HB2 ASP 113 15.125 10.917 -8.972 910 HB3 ASP 113 HB1 ASP 113 16.067 10.808 -10.455 911 H ALA 114 HN ALA 114 16.063 9.094 -6.998 912 HA ALA 114 HA ALA 114 18.784 9.874 -6.958 913 HB1 ALA 114 HB1 ALA 114 18.516 9.075 -4.474 914 HB2 ALA 114 HB2 ALA 114 16.808 9.001 -4.906 915 HB3 ALA 114 HB3 ALA 114 17.688 10.522 -5.049 916 H ASP 115 HN ASP 115 17.171 6.776 -6.891 917 HA ASP 115 HA ASP 115 17.938 4.638 -6.999 918 HB2 ASP 115 HB2 ASP 115 19.349 5.867 -8.839 919 HB3 ASP 115 HB1 ASP 115 20.680 5.613 -7.714 920 H1 ASP 453 HN ASP 453 -14.261 -14.825 -3.955 921 HA ASP 453 HA ASP 453 -16.931 -14.436 -2.772 922 HB2 ASP 453 HB2 ASP 453 -14.808 -16.409 -2.116 923 HB3 ASP 453 HB1 ASP 453 -15.672 -15.689 -0.761 924 H LEU 454 HN LEU 454 -16.111 -12.145 -3.091 925 HA LEU 454 HA LEU 454 -15.518 -10.181 -2.109 926 HB2 LEU 454 HB2 LEU 454 -16.478 -11.402 -0.068 927 HB3 LEU 454 HB1 LEU 454 -14.811 -11.701 0.386 928 HG LEU 454 HG LEU 454 -14.623 -9.073 0.082 929 HD11 LEU 454 HD11 LEU 454 -16.668 -8.307 -0.533 930 HD12 LEU 454 HD12 LEU 454 -16.895 -8.284 1.216 931 HD13 LEU 454 HD13 LEU 454 -17.527 -9.627 0.262 932 HD21 LEU 454 HD21 LEU 454 -15.421 -10.785 2.358 933 HD22 LEU 454 HD22 LEU 454 -15.573 -9.042 2.579 934 HD23 LEU 454 HD23 LEU 454 -14.011 -9.744 2.158 935 H ASP 455 HN ASP 455 -13.494 -12.381 -3.114 936 HA ASP 455 HA ASP 455 -11.056 -11.296 -1.926 937 HB2 ASP 455 HB2 ASP 455 -11.669 -13.843 -2.553 938 HB3 ASP 455 HB1 ASP 455 -10.896 -13.352 -4.058 939 H GLU 456 HN GLU 456 -12.265 -12.005 -5.209 940 HA GLU 456 HA GLU 456 -10.335 -10.495 -6.567 941 HB2 GLU 456 HB2 GLU 456 -12.059 -12.227 -7.455 942 HB3 GLU 456 HB1 GLU 456 -13.126 -10.840 -7.618 943 HG2 GLU 456 HG2 GLU 456 -12.242 -10.625 -9.647 944 HG3 GLU 456 HG1 GLU 456 -10.844 -9.944 -8.816 945 H SER 457 HN SER 457 -13.505 -9.616 -5.289 946 HA SER 457 HA SER 457 -13.713 -7.068 -6.435 947 HB2 SER 457 HB2 SER 457 -14.789 -7.414 -3.694 948 HB3 SER 457 HB1 SER 457 -15.588 -6.837 -5.156 949 HG SER 457 HG SER 457 -15.951 -9.131 -4.113 950 H TRP 458 HN TRP 458 -11.971 -8.219 -3.630 951 HA TRP 458 HA TRP 458 -11.379 -5.589 -2.628 952 HB2 TRP 458 HB2 TRP 458 -11.231 -8.207 -1.622 953 HB3 TRP 458 HB1 TRP 458 -9.568 -7.632 -1.672 954 HD1 TRP 458 HD1 TRP 458 -9.119 -7.107 0.820 955 HE1 TRP 458 HE1 TRP 458 -10.188 -5.549 2.567 956 HE3 TRP 458 HE3 TRP 458 -13.256 -5.654 -1.810 957 HZ2 TRP 458 HZ2 TRP 458 -12.482 -3.920 2.800 958 HZ3 TRP 458 HZ3 TRP 458 -14.838 -4.094 -0.753 959 HH2 TRP 458 HH2 TRP 458 -14.457 -3.246 1.505 960 H ASP 459 HN ASP 459 -9.866 -7.904 -4.757 961 HA ASP 459 HA ASP 459 -7.320 -6.553 -4.781 962 HB2 ASP 459 HB2 ASP 459 -8.474 -8.820 -6.404 963 HB3 ASP 459 HB1 ASP 459 -6.876 -8.148 -6.718 964 H TYR 460 HN TYR 460 -10.205 -6.665 -6.785 965 HA TYR 460 HA TYR 460 -9.106 -5.205 -8.968 966 HB2 TYR 460 HB2 TYR 460 -11.672 -6.362 -8.245 967 HB3 TYR 460 HB1 TYR 460 -11.866 -4.791 -9.015 968 HD1 TYR 460 HD2 TYR 460 -10.288 -8.126 -9.458 969 HD2 TYR 460 HD1 TYR 460 -11.671 -4.570 -11.342 970 HE1 TYR 460 HE2 TYR 460 -9.961 -9.172 -11.659 971 HE2 TYR 460 HE1 TYR 460 -11.348 -5.607 -13.548 972 HH TYR 460 HH TYR 460 -9.553 -8.362 -14.041 973 H ILE 461 HN ILE 461 -11.004 -4.312 -6.120 974 HA ILE 461 HA ILE 461 -11.478 -1.635 -6.755 975 HB ILE 461 HB ILE 461 -12.580 -2.775 -4.885 976 HG12 ILE 461 HG12 ILE 461 -10.994 -0.337 -4.043 977 HG13 ILE 461 HG11 ILE 461 -12.522 -0.322 -4.919 978 HG21 ILE 461 HG21 ILE 461 -10.945 -4.121 -3.910 979 HG22 ILE 461 HG22 ILE 461 -11.241 -2.872 -2.702 980 HG23 ILE 461 HG23 ILE 461 -9.813 -2.781 -3.733 981 HD11 ILE 461 HD11 ILE 461 -12.984 0.171 -2.648 982 HD12 ILE 461 HD12 ILE 461 -12.038 -1.210 -2.090 983 HD13 ILE 461 HD13 ILE 461 -13.554 -1.470 -2.954 984 H PHE 462 HN PHE 462 -8.610 -3.221 -5.576 985 HA PHE 462 HA PHE 462 -7.296 -0.636 -5.138 986 HB2 PHE 462 HB2 PHE 462 -6.515 -3.451 -4.376 987 HB3 PHE 462 HB1 PHE 462 -5.451 -2.064 -4.168 988 HD1 PHE 462 HD2 PHE 462 -7.041 0.022 -3.117 989 HD2 PHE 462 HD1 PHE 462 -7.334 -4.155 -2.358 990 HE1 PHE 462 HE2 PHE 462 -8.084 0.495 -0.940 991 HE2 PHE 462 HE1 PHE 462 -8.380 -3.690 -0.180 992 HZ PHE 462 HZ PHE 462 -8.755 -1.363 0.532 993 H GLU 463 HN GLU 463 -7.253 -3.473 -7.172 994 HA GLU 463 HA GLU 463 -4.753 -2.912 -8.433 995 HB2 GLU 463 HB2 GLU 463 -5.714 -5.174 -8.383 996 HB3 GLU 463 HB1 GLU 463 -7.060 -4.627 -9.373 997 HG2 GLU 463 HG2 GLU 463 -4.936 -3.886 -10.896 998 HG3 GLU 463 HG1 GLU 463 -4.330 -5.355 -10.132 999 H THR 464 HN THR 464 -8.022 -2.902 -9.861 1000 HA THR 464 HA THR 464 -7.124 -0.904 -11.792 1001 HB THR 464 HB THR 464 -9.106 -1.439 -13.048 1002 HG1 THR 464 HG1 THR 464 -10.821 -2.102 -12.073 1003 HG21 THR 464 HG21 THR 464 -8.601 -3.533 -13.739 1004 HG22 THR 464 HG22 THR 464 -8.463 -4.164 -12.098 1005 HG23 THR 464 HG23 THR 464 -7.154 -3.204 -12.785 1006 H THR 465 HN THR 465 -9.084 0.635 -12.434 1007 HA THR 465 HA THR 465 -10.224 1.757 -9.965 1008 HB THR 465 HB THR 465 -8.934 3.338 -12.198 1009 HG1 THR 465 HG1 THR 465 -7.317 2.551 -10.963 1010 HG21 THR 465 HG21 THR 465 -9.848 4.432 -9.566 1011 HG22 THR 465 HG22 THR 465 -10.893 4.416 -10.987 1012 HG23 THR 465 HG23 THR 465 -9.369 5.302 -11.024 Start of MODEL 19 1 H2 PRO 1 HT1 PRO 1 5.488 14.690 11.644 2 H3 PRO 1 HT2 PRO 1 6.679 14.855 12.767 3 HA PRO 1 HA PRO 1 5.386 15.954 13.908 4 HB2 PRO 1 HB2 PRO 1 4.944 18.247 12.187 5 HB3 PRO 1 HB1 PRO 1 5.922 18.125 13.656 6 HG2 PRO 1 HG2 PRO 1 6.999 18.413 11.173 7 HG3 PRO 1 HG1 PRO 1 7.823 17.582 12.504 8 HD2 PRO 1 HD2 PRO 1 6.292 16.413 10.199 9 HD3 PRO 1 HD1 PRO 1 7.843 15.899 10.890 10 H SER 2 HN SER 2 4.275 16.140 10.542 11 HA SER 2 HA SER 2 1.541 15.638 11.502 12 HB2 SER 2 HB2 SER 2 2.218 18.065 10.573 13 HB3 SER 2 HB1 SER 2 1.850 17.275 9.041 14 HG SER 2 HG SER 2 -0.187 16.662 10.032 15 H HIS 3 HN HIS 3 3.568 13.816 10.491 16 HA HIS 3 HA HIS 3 2.443 13.043 7.892 17 HB2 HIS 3 HB2 HIS 3 4.983 12.180 9.287 18 HB3 HIS 3 HB1 HIS 3 4.425 11.527 7.750 19 HD1 HIS 3 HD1 HIS 3 5.440 14.869 9.244 20 HD2 HIS 3 HD2 HIS 3 5.280 12.917 5.579 21 HE1 HIS 3 HE1 HIS 3 6.549 16.422 7.606 22 HE2 HIS 3 HE2 HIS 3 6.363 15.257 5.380 23 H SER 4 HN SER 4 0.506 12.169 8.764 24 HA SER 4 HA SER 4 0.634 9.400 9.312 25 HB2 SER 4 HB2 SER 4 -0.448 9.531 11.608 26 HB3 SER 4 HB1 SER 4 1.263 9.952 11.544 27 HG SER 4 HG SER 4 -0.937 11.535 12.095 28 H GLY 5 HN GLY 5 -1.538 8.456 9.675 29 HA2 GLY 5 HA2 GLY 5 -3.859 10.105 9.363 30 HA3 GLY 5 HA1 GLY 5 -3.409 9.315 7.859 31 H ALA 6 HN ALA 6 -5.754 9.017 9.711 32 HA ALA 6 HA ALA 6 -5.623 6.537 11.028 33 HB1 ALA 6 HB1 ALA 6 -7.808 6.865 11.527 34 HB2 ALA 6 HB2 ALA 6 -8.221 7.372 9.889 35 HB3 ALA 6 HB3 ALA 6 -7.433 8.502 10.990 36 H ALA 7 HN ALA 7 -4.957 4.768 9.959 37 HA ALA 7 HA ALA 7 -6.359 4.077 7.459 38 HB1 ALA 7 HB1 ALA 7 -3.712 2.864 7.984 39 HB2 ALA 7 HB2 ALA 7 -3.736 4.577 7.564 40 HB3 ALA 7 HB3 ALA 7 -4.440 3.390 6.466 41 H ILE 8 HN ILE 8 -7.157 2.021 7.243 42 HA ILE 8 HA ILE 8 -7.084 0.369 9.677 43 HB ILE 8 HB ILE 8 -9.100 0.141 7.450 44 HG12 ILE 8 HG12 ILE 8 -10.592 1.351 9.198 45 HG13 ILE 8 HG11 ILE 8 -9.069 1.923 9.872 46 HG21 ILE 8 HG21 ILE 8 -9.652 -0.603 10.266 47 HG22 ILE 8 HG22 ILE 8 -8.577 -1.646 9.337 48 HG23 ILE 8 HG23 ILE 8 -10.217 -1.339 8.766 49 HD11 ILE 8 HD11 ILE 8 -10.540 3.049 7.791 50 HD12 ILE 8 HD12 ILE 8 -9.116 2.334 7.034 51 HD13 ILE 8 HD13 ILE 8 -8.927 3.506 8.338 52 H PHE 9 HN PHE 9 -6.167 -1.579 9.629 53 HA PHE 9 HA PHE 9 -5.735 -2.884 7.033 54 HB2 PHE 9 HB2 PHE 9 -3.675 -1.643 8.038 55 HB3 PHE 9 HB1 PHE 9 -3.621 -2.997 9.162 56 HD1 PHE 9 HD2 PHE 9 -4.414 -2.889 5.526 57 HD2 PHE 9 HD1 PHE 9 -1.791 -4.272 8.579 58 HE1 PHE 9 HE2 PHE 9 -3.181 -4.216 3.860 59 HE2 PHE 9 HE1 PHE 9 -0.553 -5.601 6.919 60 HZ PHE 9 HZ PHE 9 -1.248 -5.575 4.556 61 H GLU 10 HN GLU 10 -6.264 -4.979 7.006 62 HA GLU 10 HA GLU 10 -6.939 -7.041 7.684 63 HB2 GLU 10 HB2 GLU 10 -5.556 -6.431 10.299 64 HB3 GLU 10 HB1 GLU 10 -5.940 -8.017 9.644 65 HG2 GLU 10 HG2 GLU 10 -4.298 -7.836 7.968 66 HG3 GLU 10 HG1 GLU 10 -4.093 -6.107 8.250 67 H LYS 11 HN LYS 11 -8.671 -4.814 8.051 68 HA LYS 11 HA LYS 11 -10.701 -4.334 8.955 69 HB2 LYS 11 HB2 LYS 11 -10.442 -7.036 10.288 70 HB3 LYS 11 HB1 LYS 11 -11.922 -6.103 10.121 71 HG2 LYS 11 HG2 LYS 11 -12.281 -7.306 8.285 72 HG3 LYS 11 HG1 LYS 11 -11.047 -6.296 7.530 73 HD2 LYS 11 HD2 LYS 11 -9.492 -8.140 8.744 74 HD3 LYS 11 HD1 LYS 11 -10.927 -9.110 8.404 75 HE2 LYS 11 HE2 LYS 11 -9.197 -9.159 6.605 76 HE3 LYS 11 HE1 LYS 11 -10.790 -8.623 6.070 77 HZ1 LYS 11 HZ1 LYS 11 -10.073 -6.485 5.778 78 HZ2 LYS 11 HZ2 LYS 11 -8.657 -7.323 5.385 79 HZ3 LYS 11 HZ3 LYS 11 -8.823 -6.612 6.911 80 H VAL 12 HN VAL 12 -8.314 -3.463 10.270 81 HA VAL 12 HA VAL 12 -9.383 -3.136 12.990 82 HB VAL 12 HB VAL 12 -6.460 -3.528 12.324 83 HG11 VAL 12 HG11 VAL 12 -7.908 -2.849 14.862 84 HG12 VAL 12 HG12 VAL 12 -6.498 -2.069 14.145 85 HG13 VAL 12 HG13 VAL 12 -6.342 -3.661 14.888 86 HG21 VAL 12 HG21 VAL 12 -6.992 -5.508 14.022 87 HG22 VAL 12 HG22 VAL 12 -7.176 -5.685 12.277 88 HG23 VAL 12 HG23 VAL 12 -8.586 -5.355 13.284 89 H SER 13 HN SER 13 -9.515 -1.085 13.641 90 HA SER 13 HA SER 13 -8.642 1.012 11.856 91 HB2 SER 13 HB2 SER 13 -9.983 1.315 14.549 92 HB3 SER 13 HB1 SER 13 -9.915 2.502 13.248 93 HG SER 13 HG SER 13 -11.318 0.042 13.287 94 H GLY 14 HN GLY 14 -6.823 2.157 12.032 95 HA2 GLY 14 HA2 GLY 14 -5.596 2.616 14.617 96 HA3 GLY 14 HA1 GLY 14 -4.664 1.591 13.536 97 H ILE 15 HN ILE 15 -3.429 3.788 14.315 98 HA ILE 15 HA ILE 15 -3.805 5.785 12.190 99 HB ILE 15 HB ILE 15 -2.076 6.111 14.635 100 HG12 ILE 15 HG12 ILE 15 -4.306 5.682 15.457 101 HG13 ILE 15 HG11 ILE 15 -3.981 7.407 15.599 102 HG21 ILE 15 HG21 ILE 15 -2.432 8.517 14.150 103 HG22 ILE 15 HG22 ILE 15 -3.291 8.055 12.681 104 HG23 ILE 15 HG23 ILE 15 -1.583 7.657 12.866 105 HD11 ILE 15 HD11 ILE 15 -5.812 7.844 14.447 106 HD12 ILE 15 HD12 ILE 15 -6.133 6.116 14.305 107 HD13 ILE 15 HD13 ILE 15 -5.179 6.940 13.071 108 H ILE 16 HN ILE 16 -2.298 6.075 10.653 109 HA ILE 16 HA ILE 16 0.103 4.402 10.802 110 HB ILE 16 HB ILE 16 -1.671 4.547 8.786 111 HG12 ILE 16 HG12 ILE 16 1.175 4.236 7.966 112 HG13 ILE 16 HG11 ILE 16 0.570 3.188 9.244 113 HG21 ILE 16 HG21 ILE 16 -1.104 5.975 7.059 114 HG22 ILE 16 HG22 ILE 16 0.516 6.267 7.693 115 HG23 ILE 16 HG23 ILE 16 -0.884 6.998 8.479 116 HD11 ILE 16 HD11 ILE 16 -1.336 2.642 7.631 117 HD12 ILE 16 HD12 ILE 16 0.257 1.965 7.294 118 HD13 ILE 16 HD13 ILE 16 -0.313 3.370 6.392 119 H ALA 17 HN ALA 17 2.158 5.233 10.243 120 HA ALA 17 HA ALA 17 2.426 8.143 10.127 121 HB1 ALA 17 HB1 ALA 17 2.590 7.610 12.493 122 HB2 ALA 17 HB2 ALA 17 4.154 8.134 11.870 123 HB3 ALA 17 HB3 ALA 17 3.848 6.421 12.155 124 H ILE 18 HN ILE 18 3.754 8.662 8.525 125 HA ILE 18 HA ILE 18 5.482 6.628 7.375 126 HB ILE 18 HB ILE 18 5.083 9.456 6.408 127 HG12 ILE 18 HG12 ILE 18 3.546 6.939 5.734 128 HG13 ILE 18 HG11 ILE 18 2.910 8.391 6.498 129 HG21 ILE 18 HG21 ILE 18 6.966 7.670 5.659 130 HG22 ILE 18 HG22 ILE 18 6.296 8.905 4.593 131 HG23 ILE 18 HG23 ILE 18 5.666 7.258 4.540 132 HD11 ILE 18 HD11 ILE 18 2.420 9.235 4.519 133 HD12 ILE 18 HD12 ILE 18 3.008 7.755 3.760 134 HD13 ILE 18 HD13 ILE 18 4.106 9.110 4.019 135 H ASN 19 HN ASN 19 7.637 6.564 7.543 136 HA ASN 19 HA ASN 19 8.950 8.740 9.027 137 HB2 ASN 19 HB2 ASN 19 9.340 5.783 8.967 138 HB3 ASN 19 HB1 ASN 19 10.750 6.798 9.257 139 HD21 ASN 19 HD21 ASN 19 9.203 4.910 10.974 140 HD22 ASN 19 HD22 ASN 19 8.818 5.820 12.391 141 H GLU 20 HN GLU 20 9.618 10.094 7.426 142 HA GLU 20 HA GLU 20 11.189 8.959 5.222 143 HB2 GLU 20 HB2 GLU 20 10.242 11.811 5.461 144 HB3 GLU 20 HB1 GLU 20 10.785 10.968 4.016 145 HG2 GLU 20 HG2 GLU 20 8.809 9.560 4.068 146 HG3 GLU 20 HG1 GLU 20 8.273 10.345 5.553 147 H ASP 21 HN ASP 21 12.166 9.295 7.987 148 HA ASP 21 HA ASP 21 14.099 11.458 7.785 149 HB2 ASP 21 HB2 ASP 21 12.826 10.734 9.925 150 HB3 ASP 21 HB1 ASP 21 14.008 9.431 10.004 151 H VAL 22 HN VAL 22 13.935 7.990 7.483 152 HA VAL 22 HA VAL 22 16.839 7.740 7.376 153 HB VAL 22 HB VAL 22 16.319 5.295 6.988 154 HG11 VAL 22 HG11 VAL 22 16.290 4.913 9.228 155 HG12 VAL 22 HG12 VAL 22 14.979 6.057 9.518 156 HG13 VAL 22 HG13 VAL 22 16.622 6.645 9.262 157 HG21 VAL 22 HG21 VAL 22 14.218 4.506 6.847 158 HG22 VAL 22 HG22 VAL 22 13.825 6.158 6.375 159 HG23 VAL 22 HG23 VAL 22 13.602 5.643 8.046 160 H SER 23 HN SER 23 17.457 5.989 5.543 161 HA SER 23 HA SER 23 17.192 7.409 3.091 162 HB2 SER 23 HB2 SER 23 18.238 4.912 2.446 163 HB3 SER 23 HB1 SER 23 19.162 6.356 2.856 164 HG SER 23 HG SER 23 19.340 5.658 4.934 165 HA PRO 24 HA PRO 24 14.605 3.662 1.563 166 HB2 PRO 24 HB2 PRO 24 13.908 1.728 3.318 167 HB3 PRO 24 HB1 PRO 24 15.440 1.703 2.435 168 HG2 PRO 24 HG2 PRO 24 14.887 2.580 5.245 169 HG3 PRO 24 HG1 PRO 24 16.224 1.594 4.623 170 HD2 PRO 24 HD2 PRO 24 16.475 4.243 5.165 171 HD3 PRO 24 HD1 PRO 24 17.401 3.429 3.888 172 H ALA 25 HN ALA 25 13.949 4.685 4.874 173 HA ALA 25 HA ALA 25 12.084 5.520 5.881 174 HB1 ALA 25 HB1 ALA 25 10.242 6.278 4.140 175 HB2 ALA 25 HB2 ALA 25 11.583 6.093 3.011 176 HB3 ALA 25 HB3 ALA 25 11.728 7.197 4.379 177 H GLU 26 HN GLU 26 10.179 4.754 6.744 178 HA GLU 26 HA GLU 26 8.882 2.502 5.386 179 HB2 GLU 26 HB2 GLU 26 9.845 2.464 8.250 180 HB3 GLU 26 HB1 GLU 26 8.822 1.236 7.518 181 HG2 GLU 26 HG2 GLU 26 10.522 0.373 6.251 182 HG3 GLU 26 HG1 GLU 26 11.423 1.888 6.231 183 H LEU 27 HN LEU 27 6.799 1.903 6.401 184 HA LEU 27 HA LEU 27 5.449 4.288 7.481 185 HB2 LEU 27 HB2 LEU 27 4.859 2.669 5.243 186 HB3 LEU 27 HB1 LEU 27 3.625 2.331 6.439 187 HG LEU 27 HG LEU 27 3.809 5.099 6.439 188 HD11 LEU 27 HD11 LEU 27 3.845 4.106 3.595 189 HD12 LEU 27 HD12 LEU 27 5.167 4.963 4.388 190 HD13 LEU 27 HD13 LEU 27 3.622 5.772 4.128 191 HD21 LEU 27 HD21 LEU 27 1.775 3.992 4.657 192 HD22 LEU 27 HD22 LEU 27 1.598 4.923 6.144 193 HD23 LEU 27 HD23 LEU 27 1.875 3.184 6.221 194 H THR 28 HN THR 28 4.834 4.142 9.535 195 HA THR 28 HA THR 28 4.613 1.496 10.767 196 HB THR 28 HB THR 28 4.407 4.027 12.339 197 HG1 THR 28 HG1 THR 28 6.375 4.603 11.933 198 HG21 THR 28 HG21 THR 28 5.126 2.819 14.094 199 HG22 THR 28 HG22 THR 28 6.202 1.824 13.113 200 HG23 THR 28 HG23 THR 28 4.472 1.484 13.146 201 H TRP 29 HN TRP 29 2.734 0.656 11.433 202 HA TRP 29 HA TRP 29 0.377 2.412 11.558 203 HB2 TRP 29 HB2 TRP 29 0.197 1.261 9.454 204 HB3 TRP 29 HB1 TRP 29 0.585 -0.283 10.204 205 HD1 TRP 29 HD1 TRP 29 -2.281 2.270 9.941 206 HE1 TRP 29 HE1 TRP 29 -4.483 1.080 10.541 207 HE3 TRP 29 HE3 TRP 29 -0.387 -2.235 11.445 208 HZ2 TRP 29 HZ2 TRP 29 -5.307 -1.436 11.522 209 HZ3 TRP 29 HZ3 TRP 29 -1.949 -3.979 12.199 210 HH2 TRP 29 HH2 TRP 29 -4.359 -3.586 12.237 211 H ARG 30 HN ARG 30 -0.194 2.426 13.636 212 HA ARG 30 HA ARG 30 -0.065 -0.098 15.146 213 HB2 ARG 30 HB2 ARG 30 -0.085 1.336 17.175 214 HB3 ARG 30 HB1 ARG 30 1.311 1.614 16.143 215 HG2 ARG 30 HG2 ARG 30 -1.038 3.344 15.681 216 HG3 ARG 30 HG1 ARG 30 -0.152 3.585 17.189 217 HD2 ARG 30 HD2 ARG 30 1.898 3.432 15.443 218 HD3 ARG 30 HD1 ARG 30 0.653 4.123 14.403 219 HE ARG 30 HE ARG 30 0.640 5.572 16.772 220 HH11 ARG 30 HH11 ARG 30 2.832 4.946 14.129 221 HH12 ARG 30 HH12 ARG 30 3.638 6.472 14.271 222 HH21 ARG 30 HH21 ARG 30 1.700 7.579 16.961 223 HH22 ARG 30 HH22 ARG 30 2.996 7.967 15.879 224 H SER 31 HN SER 31 -1.848 -0.888 16.168 225 HA SER 31 HA SER 31 -4.384 -0.250 15.178 226 HB2 SER 31 HB2 SER 31 -3.777 -1.647 17.794 227 HB3 SER 31 HB1 SER 31 -5.263 -1.769 16.852 228 HG SER 31 HG SER 31 -4.342 -3.257 15.708 229 H THR 32 HN THR 32 -6.099 0.925 15.973 230 HA THR 32 HA THR 32 -5.543 3.272 17.384 231 HB THR 32 HB THR 32 -7.459 2.962 15.833 232 HG1 THR 32 HG1 THR 32 -8.892 4.208 17.070 233 HG21 THR 32 HG21 THR 32 -8.969 1.703 18.087 234 HG22 THR 32 HG22 THR 32 -8.156 0.728 16.863 235 HG23 THR 32 HG23 THR 32 -9.424 1.859 16.391 236 H ASP 33 HN ASP 33 -7.103 0.271 18.472 237 HA ASP 33 HA ASP 33 -6.607 1.133 21.246 238 HB2 ASP 33 HB2 ASP 33 -9.022 -0.150 20.023 239 HB3 ASP 33 HB1 ASP 33 -8.637 -0.461 21.713 240 H GLY 34 HN GLY 34 -6.873 -1.598 19.013 241 HA2 GLY 34 HA2 GLY 34 -6.213 -3.679 20.729 242 HA3 GLY 34 HA1 GLY 34 -5.845 -3.650 19.012 243 H ASP 35 HN ASP 35 -4.009 -4.971 20.005 244 HA ASP 35 HA ASP 35 -1.808 -3.145 20.719 245 HB2 ASP 35 HB2 ASP 35 -0.784 -5.017 21.951 246 HB3 ASP 35 HB1 ASP 35 -2.370 -4.607 22.597 247 H LYS 36 HN LYS 36 -2.720 -3.988 18.060 248 HA LYS 36 HA LYS 36 -0.410 -5.586 17.184 249 HB2 LYS 36 HB2 LYS 36 -3.054 -5.049 15.821 250 HB3 LYS 36 HB1 LYS 36 -1.722 -5.931 15.087 251 HG2 LYS 36 HG2 LYS 36 -2.098 -7.794 16.308 252 HG3 LYS 36 HG1 LYS 36 -2.640 -6.890 17.724 253 HD2 LYS 36 HD2 LYS 36 -4.697 -6.312 16.248 254 HD3 LYS 36 HD1 LYS 36 -4.182 -7.702 15.290 255 HE2 LYS 36 HE2 LYS 36 -4.769 -9.190 16.888 256 HE3 LYS 36 HE1 LYS 36 -4.304 -8.116 18.207 257 HZ1 LYS 36 HZ1 LYS 36 -6.377 -6.793 17.467 258 HZ2 LYS 36 HZ2 LYS 36 -6.581 -8.189 18.400 259 HZ3 LYS 36 HZ3 LYS 36 -6.846 -8.243 16.730 260 H VAL 37 HN VAL 37 0.844 -4.889 15.423 261 HA VAL 37 HA VAL 37 0.352 -2.238 14.336 262 HB VAL 37 HB VAL 37 1.678 -1.856 16.404 263 HG11 VAL 37 HG11 VAL 37 4.126 -2.940 15.157 264 HG12 VAL 37 HG12 VAL 37 2.997 -4.115 15.831 265 HG13 VAL 37 HG13 VAL 37 3.662 -2.842 16.856 266 HG21 VAL 37 HG21 VAL 37 3.543 -0.574 15.217 267 HG22 VAL 37 HG22 VAL 37 1.879 -0.179 14.784 268 HG23 VAL 37 HG23 VAL 37 2.850 -1.198 13.720 269 H HIS 38 HN HIS 38 1.344 -1.861 12.364 270 HA HIS 38 HA HIS 38 2.910 -4.094 11.252 271 HB2 HIS 38 HB2 HIS 38 0.618 -4.171 10.377 272 HB3 HIS 38 HB1 HIS 38 0.761 -2.502 9.836 273 HD1 HIS 38 HD1 HIS 38 1.992 -5.967 9.052 274 HD2 HIS 38 HD2 HIS 38 2.071 -2.146 7.421 275 HE1 HIS 38 HE1 HIS 38 2.877 -6.252 6.716 276 HE2 HIS 38 HE2 HIS 38 2.821 -3.940 5.716 277 H THR 39 HN THR 39 4.683 -3.570 10.087 278 HA THR 39 HA THR 39 5.146 -0.722 9.500 279 HB THR 39 HB THR 39 7.488 -2.420 10.176 280 HG1 THR 39 HG1 THR 39 7.152 -2.171 12.370 281 HG21 THR 39 HG21 THR 39 7.629 0.011 9.564 282 HG22 THR 39 HG22 THR 39 8.397 -0.446 11.085 283 HG23 THR 39 HG23 THR 39 6.827 0.358 11.096 284 H VAL 40 HN VAL 40 5.169 -0.533 7.359 285 HA VAL 40 HA VAL 40 6.515 -2.631 5.783 286 HB VAL 40 HB VAL 40 4.112 -2.477 5.302 287 HG11 VAL 40 HG11 VAL 40 3.883 -0.067 5.868 288 HG12 VAL 40 HG12 VAL 40 3.117 -0.517 4.344 289 HG13 VAL 40 HG13 VAL 40 4.668 0.323 4.337 290 HG21 VAL 40 HG21 VAL 40 6.078 -2.760 3.521 291 HG22 VAL 40 HG22 VAL 40 5.318 -1.312 2.860 292 HG23 VAL 40 HG23 VAL 40 4.374 -2.788 3.068 293 H VAL 41 HN VAL 41 8.138 -2.070 4.442 294 HA VAL 41 HA VAL 41 9.288 0.537 4.688 295 HB VAL 41 HB VAL 41 10.087 -1.638 2.752 296 HG11 VAL 41 HG11 VAL 41 10.999 0.984 3.070 297 HG12 VAL 41 HG12 VAL 41 11.768 -0.312 2.155 298 HG13 VAL 41 HG13 VAL 41 12.218 -0.032 3.837 299 HG21 VAL 41 HG21 VAL 41 11.402 -2.642 4.374 300 HG22 VAL 41 HG22 VAL 41 9.943 -2.231 5.274 301 HG23 VAL 41 HG23 VAL 41 11.382 -1.221 5.417 302 H LEU 42 HN LEU 42 9.248 2.223 3.300 303 HA LEU 42 HA LEU 42 7.269 2.193 1.206 304 HB2 LEU 42 HB2 LEU 42 9.049 4.286 2.402 305 HB3 LEU 42 HB1 LEU 42 8.194 4.605 0.905 306 HG LEU 42 HG LEU 42 6.962 3.963 3.583 307 HD11 LEU 42 HD11 LEU 42 7.478 6.426 2.049 308 HD12 LEU 42 HD12 LEU 42 7.335 6.177 3.789 309 HD13 LEU 42 HD13 LEU 42 5.884 6.293 2.792 310 HD21 LEU 42 HD21 LEU 42 4.904 4.729 1.995 311 HD22 LEU 42 HD22 LEU 42 5.324 3.051 2.341 312 HD23 LEU 42 HD23 LEU 42 5.887 3.813 0.853 313 H SER 43 HN SER 43 10.751 2.104 1.444 314 HA SER 43 HA SER 43 11.457 2.844 -1.147 315 HB2 SER 43 HB2 SER 43 13.085 2.527 0.678 316 HB3 SER 43 HB1 SER 43 12.806 0.787 0.618 317 HG SER 43 HG SER 43 14.331 0.797 -0.821 318 H THR 44 HN THR 44 10.131 -0.147 0.068 319 HA THR 44 HA THR 44 10.772 -1.732 -2.211 320 HB THR 44 HB THR 44 10.260 -2.671 0.036 321 HG1 THR 44 HG1 THR 44 10.082 -4.163 -1.517 322 HG21 THR 44 HG21 THR 44 7.430 -2.856 -0.212 323 HG22 THR 44 HG22 THR 44 7.901 -1.157 -0.166 324 HG23 THR 44 HG23 THR 44 8.395 -2.244 1.132 325 H ILE 45 HN ILE 45 8.262 0.535 -1.483 326 HA ILE 45 HA ILE 45 6.213 -0.330 -3.156 327 HB ILE 45 HB ILE 45 6.990 2.545 -2.652 328 HG12 ILE 45 HG12 ILE 45 6.762 1.374 -0.535 329 HG13 ILE 45 HG11 ILE 45 5.368 2.420 -0.778 330 HG21 ILE 45 HG21 ILE 45 5.376 2.293 -4.449 331 HG22 ILE 45 HG22 ILE 45 4.606 2.997 -3.027 332 HG23 ILE 45 HG23 ILE 45 4.353 1.295 -3.414 333 HD11 ILE 45 HD11 ILE 45 4.707 -0.090 -1.866 334 HD12 ILE 45 HD12 ILE 45 4.049 0.687 -0.426 335 HD13 ILE 45 HD13 ILE 45 5.447 -0.380 -0.292 336 H ASP 46 HN ASP 46 5.611 0.242 -5.280 337 HA ASP 46 HA ASP 46 7.831 1.155 -6.988 338 HB2 ASP 46 HB2 ASP 46 7.202 -1.362 -7.058 339 HB3 ASP 46 HB1 ASP 46 5.778 -0.823 -7.944 340 H LYS 47 HN LYS 47 4.308 0.818 -6.710 341 HA LYS 47 HA LYS 47 4.043 3.272 -8.311 342 HB2 LYS 47 HB2 LYS 47 2.111 0.959 -8.447 343 HB3 LYS 47 HB1 LYS 47 2.128 2.399 -9.455 344 HG2 LYS 47 HG2 LYS 47 4.596 1.413 -9.950 345 HG3 LYS 47 HG1 LYS 47 3.693 -0.075 -9.662 346 HD2 LYS 47 HD2 LYS 47 2.510 1.996 -11.448 347 HD3 LYS 47 HD1 LYS 47 3.827 0.997 -12.066 348 HE2 LYS 47 HE2 LYS 47 2.585 -1.011 -11.629 349 HE3 LYS 47 HE1 LYS 47 1.318 -0.101 -10.806 350 HZ1 LYS 47 HZ1 LYS 47 1.806 -0.443 -13.650 351 HZ2 LYS 47 HZ2 LYS 47 1.316 1.103 -13.170 352 HZ3 LYS 47 HZ3 LYS 47 0.348 -0.238 -12.817 353 H LEU 48 HN LEU 48 1.755 4.197 -8.065 354 HA LEU 48 HA LEU 48 0.726 3.805 -5.345 355 HB2 LEU 48 HB2 LEU 48 2.082 6.149 -6.381 356 HB3 LEU 48 HB1 LEU 48 0.459 6.540 -5.847 357 HG LEU 48 HG LEU 48 1.059 5.381 -3.654 358 HD11 LEU 48 HD11 LEU 48 3.139 4.653 -3.231 359 HD12 LEU 48 HD12 LEU 48 3.894 5.968 -4.133 360 HD13 LEU 48 HD13 LEU 48 3.270 4.556 -4.987 361 HD21 LEU 48 HD21 LEU 48 1.142 7.948 -4.380 362 HD22 LEU 48 HD22 LEU 48 2.842 7.721 -3.969 363 HD23 LEU 48 HD23 LEU 48 1.593 7.397 -2.767 364 H GLN 49 HN GLN 49 -1.400 3.491 -5.369 365 HA GLN 49 HA GLN 49 -3.074 4.930 -7.265 366 HB2 GLN 49 HB2 GLN 49 -2.248 2.454 -7.999 367 HB3 GLN 49 HB1 GLN 49 -3.707 2.048 -7.107 368 HG2 GLN 49 HG2 GLN 49 -5.064 2.895 -8.679 369 HG3 GLN 49 HG1 GLN 49 -3.994 4.253 -9.022 370 HE21 GLN 49 HE21 GLN 49 -2.226 3.925 -10.444 371 HE22 GLN 49 HE22 GLN 49 -2.258 2.657 -11.617 372 H ALA 50 HN ALA 50 -5.377 4.746 -6.764 373 HA ALA 50 HA ALA 50 -6.142 3.580 -4.238 374 HB1 ALA 50 HB1 ALA 50 -5.034 5.914 -3.848 375 HB2 ALA 50 HB2 ALA 50 -6.510 5.476 -2.988 376 HB3 ALA 50 HB3 ALA 50 -6.592 6.524 -4.404 377 H THR 51 HN THR 51 -8.483 4.062 -3.746 378 HA THR 51 HA THR 51 -10.048 3.517 -6.043 379 HB THR 51 HB THR 51 -11.916 3.425 -4.569 380 HG1 THR 51 HG1 THR 51 -12.004 5.117 -3.308 381 HG21 THR 51 HG21 THR 51 -9.681 2.696 -2.718 382 HG22 THR 51 HG22 THR 51 -10.050 1.742 -4.155 383 HG23 THR 51 HG23 THR 51 -11.266 1.945 -2.895 384 HA PRO 52 HA PRO 52 -11.144 7.536 -7.480 385 HB2 PRO 52 HB2 PRO 52 -13.694 7.144 -8.333 386 HB3 PRO 52 HB1 PRO 52 -12.284 6.519 -9.196 387 HG2 PRO 52 HG2 PRO 52 -14.129 5.107 -7.307 388 HG3 PRO 52 HG1 PRO 52 -13.459 4.542 -8.849 389 HD2 PRO 52 HD2 PRO 52 -12.442 3.784 -6.461 390 HD3 PRO 52 HD1 PRO 52 -11.430 3.981 -7.906 391 H ALA 53 HN ALA 53 -12.436 9.392 -7.047 392 HA ALA 53 HA ALA 53 -13.247 9.635 -4.340 393 HB1 ALA 53 HB1 ALA 53 -13.612 11.903 -4.791 394 HB2 ALA 53 HB2 ALA 53 -13.949 11.602 -6.496 395 HB3 ALA 53 HB3 ALA 53 -12.304 11.444 -5.881 396 H SER 54 HN SER 54 -14.952 9.016 -7.323 397 HA SER 54 HA SER 54 -17.558 9.638 -6.422 398 HB2 SER 54 HB2 SER 54 -17.178 7.482 -8.442 399 HB3 SER 54 HB1 SER 54 -18.278 8.860 -8.459 400 HG SER 54 HG SER 54 -16.295 10.153 -8.755 401 H SER 55 HN SER 55 -15.536 6.804 -6.131 402 HA SER 55 HA SER 55 -17.535 4.954 -5.396 403 HB2 SER 55 HB2 SER 55 -14.562 5.085 -5.111 404 HB3 SER 55 HB1 SER 55 -15.444 3.870 -4.187 405 HG SER 55 HG SER 55 -16.439 3.337 -6.302 406 H GLU 56 HN GLU 56 -18.640 4.691 -3.567 407 HA GLU 56 HA GLU 56 -18.570 6.562 -1.484 408 HB2 GLU 56 HB2 GLU 56 -20.086 5.040 -0.300 409 HB3 GLU 56 HB1 GLU 56 -20.553 5.224 -1.985 410 HG2 GLU 56 HG2 GLU 56 -19.580 3.083 -2.529 411 HG3 GLU 56 HG1 GLU 56 -18.985 2.906 -0.879 412 H LYS 57 HN LYS 57 -17.087 3.378 -1.802 413 HA LYS 57 HA LYS 57 -15.978 3.521 0.880 414 HB2 LYS 57 HB2 LYS 57 -14.961 1.302 0.250 415 HB3 LYS 57 HB1 LYS 57 -16.719 1.353 0.233 416 HG2 LYS 57 HG2 LYS 57 -15.447 1.985 -2.333 417 HG3 LYS 57 HG1 LYS 57 -15.186 0.339 -1.753 418 HD2 LYS 57 HD2 LYS 57 -17.947 1.301 -1.497 419 HD3 LYS 57 HD1 LYS 57 -17.367 1.169 -3.159 420 HE2 LYS 57 HE2 LYS 57 -18.165 -0.951 -2.846 421 HE3 LYS 57 HE1 LYS 57 -16.498 -1.168 -2.314 422 HZ1 LYS 57 HZ1 LYS 57 -18.840 -0.692 -0.550 423 HZ2 LYS 57 HZ2 LYS 57 -17.241 -0.859 -0.025 424 HZ3 LYS 57 HZ3 LYS 57 -18.031 -2.164 -0.755 425 H MET 58 HN MET 58 -14.242 4.748 1.187 426 HA MET 58 HA MET 58 -12.357 5.201 -0.983 427 HB2 MET 58 HB2 MET 58 -12.274 6.337 1.813 428 HB3 MET 58 HB1 MET 58 -11.420 6.930 0.396 429 HG2 MET 58 HG2 MET 58 -13.114 8.415 0.393 430 HG3 MET 58 HG1 MET 58 -13.909 7.135 -0.520 431 HE1 MET 58 HE1 MET 58 -12.945 8.128 2.952 432 HE2 MET 58 HE2 MET 58 -14.340 7.781 3.974 433 HE3 MET 58 HE3 MET 58 -14.306 9.249 2.998 434 H MET 59 HN MET 59 -10.572 4.045 -1.228 435 HA MET 59 HA MET 59 -9.209 2.964 1.119 436 HB2 MET 59 HB2 MET 59 -9.883 1.264 -1.287 437 HB3 MET 59 HB1 MET 59 -8.991 0.751 0.138 438 HG2 MET 59 HG2 MET 59 -10.963 -0.030 0.827 439 HG3 MET 59 HG1 MET 59 -11.293 1.647 1.255 440 HE1 MET 59 HE1 MET 59 -12.608 -1.293 -0.031 441 HE2 MET 59 HE2 MET 59 -11.977 -1.129 -1.670 442 HE3 MET 59 HE3 MET 59 -13.704 -0.941 -1.367 443 H LEU 60 HN LEU 60 -7.028 2.076 0.528 444 HA LEU 60 HA LEU 60 -5.900 3.517 -1.781 445 HB2 LEU 60 HB2 LEU 60 -5.100 3.513 1.063 446 HB3 LEU 60 HB1 LEU 60 -3.788 3.384 -0.094 447 HG LEU 60 HG LEU 60 -5.855 5.581 -0.145 448 HD11 LEU 60 HD11 LEU 60 -4.794 6.256 1.724 449 HD12 LEU 60 HD12 LEU 60 -3.572 6.807 0.578 450 HD13 LEU 60 HD13 LEU 60 -3.371 5.264 1.407 451 HD21 LEU 60 HD21 LEU 60 -4.619 6.558 -1.830 452 HD22 LEU 60 HD22 LEU 60 -4.479 4.846 -2.230 453 HD23 LEU 60 HD23 LEU 60 -3.152 5.672 -1.413 454 H ARG 61 HN ARG 61 -4.218 2.515 -2.899 455 HA ARG 61 HA ARG 61 -3.543 -0.226 -2.099 456 HB2 ARG 61 HB2 ARG 61 -5.347 -0.382 -3.749 457 HB3 ARG 61 HB1 ARG 61 -4.420 0.605 -4.869 458 HG2 ARG 61 HG2 ARG 61 -2.667 -1.411 -4.305 459 HG3 ARG 61 HG1 ARG 61 -4.222 -2.244 -4.263 460 HD2 ARG 61 HD2 ARG 61 -4.189 -0.489 -6.509 461 HD3 ARG 61 HD1 ARG 61 -2.708 -1.445 -6.521 462 HE ARG 61 HE ARG 61 -5.051 -3.023 -6.051 463 HH11 ARG 61 HH11 ARG 61 -3.076 -1.547 -8.522 464 HH12 ARG 61 HH12 ARG 61 -3.565 -2.662 -9.754 465 HH21 ARG 61 HH21 ARG 61 -5.694 -4.490 -7.670 466 HH22 ARG 61 HH22 ARG 61 -5.051 -4.332 -9.271 467 H LEU 62 HN LEU 62 -1.443 -0.697 -2.287 468 HA LEU 62 HA LEU 62 0.241 1.096 -3.909 469 HB2 LEU 62 HB2 LEU 62 0.991 -0.179 -1.279 470 HB3 LEU 62 HB1 LEU 62 1.999 0.886 -2.240 471 HG LEU 62 HG LEU 62 -0.614 1.996 -1.418 472 HD11 LEU 62 HD11 LEU 62 -0.099 2.347 0.830 473 HD12 LEU 62 HD12 LEU 62 1.583 1.860 0.618 474 HD13 LEU 62 HD13 LEU 62 0.301 0.650 0.559 475 HD21 LEU 62 HD21 LEU 62 1.481 3.048 -2.641 476 HD22 LEU 62 HD22 LEU 62 2.019 3.302 -0.981 477 HD23 LEU 62 HD23 LEU 62 0.489 3.990 -1.527 478 H ILE 63 HN ILE 63 1.883 0.173 -5.087 479 HA ILE 63 HA ILE 63 1.823 -2.765 -5.233 480 HB ILE 63 HB ILE 63 3.032 -1.008 -7.345 481 HG12 ILE 63 HG12 ILE 63 0.754 -0.174 -7.007 482 HG13 ILE 63 HG11 ILE 63 0.873 -1.043 -8.534 483 HG21 ILE 63 HG21 ILE 63 2.277 -3.837 -7.036 484 HG22 ILE 63 HG22 ILE 63 3.569 -3.100 -7.985 485 HG23 ILE 63 HG23 ILE 63 1.918 -3.114 -8.605 486 HD11 ILE 63 HD11 ILE 63 -0.516 -1.828 -6.016 487 HD12 ILE 63 HD12 ILE 63 0.009 -3.060 -7.163 488 HD13 ILE 63 HD13 ILE 63 -1.119 -1.804 -7.673 489 H GLY 64 HN GLY 64 3.676 -3.964 -5.077 490 HA2 GLY 64 HA2 GLY 64 6.006 -2.543 -4.012 491 HA3 GLY 64 HA1 GLY 64 5.688 -4.264 -3.863 492 H LYS 65 HN LYS 65 8.170 -3.233 -4.629 493 HA LYS 65 HA LYS 65 8.405 -3.394 -7.499 494 HB2 LYS 65 HB2 LYS 65 10.176 -2.760 -5.229 495 HB3 LYS 65 HB1 LYS 65 10.966 -3.560 -6.580 496 HG2 LYS 65 HG2 LYS 65 10.656 -1.796 -7.991 497 HG3 LYS 65 HG1 LYS 65 9.194 -1.251 -7.166 498 HD2 LYS 65 HD2 LYS 65 10.343 0.018 -5.690 499 HD3 LYS 65 HD1 LYS 65 11.676 -1.133 -5.581 500 HE2 LYS 65 HE2 LYS 65 12.706 -0.300 -7.508 501 HE3 LYS 65 HE1 LYS 65 11.239 0.513 -8.049 502 HZ1 LYS 65 HZ1 LYS 65 11.623 2.284 -6.724 503 HZ2 LYS 65 HZ2 LYS 65 13.232 1.783 -6.872 504 HZ3 LYS 65 HZ3 LYS 65 12.342 1.372 -5.494 505 H VAL 66 HN VAL 66 10.567 -4.834 -8.065 506 HA VAL 66 HA VAL 66 9.733 -7.571 -7.404 507 HB VAL 66 HB VAL 66 11.551 -6.701 -9.652 508 HG11 VAL 66 HG11 VAL 66 10.436 -9.020 -10.444 509 HG12 VAL 66 HG12 VAL 66 10.481 -9.278 -8.700 510 HG13 VAL 66 HG13 VAL 66 11.968 -8.918 -9.577 511 HG21 VAL 66 HG21 VAL 66 9.352 -5.682 -9.929 512 HG22 VAL 66 HG22 VAL 66 8.586 -7.258 -9.725 513 HG23 VAL 66 HG23 VAL 66 9.613 -6.951 -11.126 514 H ASP 67 HN ASP 67 11.273 -9.164 -6.867 515 HA ASP 67 HA ASP 67 13.850 -8.100 -5.909 516 HB2 ASP 67 HB2 ASP 67 11.831 -9.827 -4.575 517 HB3 ASP 67 HB1 ASP 67 13.526 -10.209 -4.286 518 H GLU 68 HN GLU 68 15.200 -8.750 -7.504 519 HA GLU 68 HA GLU 68 14.997 -11.381 -8.674 520 HB2 GLU 68 HB2 GLU 68 16.726 -8.981 -9.104 521 HB3 GLU 68 HB1 GLU 68 17.273 -10.539 -9.709 522 HG2 GLU 68 HG2 GLU 68 14.708 -10.478 -10.608 523 HG3 GLU 68 HG1 GLU 68 15.156 -8.775 -10.685 524 H SER 69 HN SER 69 16.906 -9.781 -6.230 525 HA SER 69 HA SER 69 19.053 -11.565 -6.052 526 HB2 SER 69 HB2 SER 69 19.312 -10.717 -3.734 527 HB3 SER 69 HB1 SER 69 19.071 -9.416 -4.900 528 HG SER 69 HG SER 69 16.892 -9.328 -4.255 529 H LYS 70 HN LYS 70 15.811 -11.704 -4.698 530 HA LYS 70 HA LYS 70 16.278 -13.915 -2.979 531 HB2 LYS 70 HB2 LYS 70 13.782 -12.694 -4.140 532 HB3 LYS 70 HB1 LYS 70 13.726 -14.120 -3.114 533 HG2 LYS 70 HG2 LYS 70 15.218 -12.517 -1.567 534 HG3 LYS 70 HG1 LYS 70 14.264 -11.306 -2.425 535 HD2 LYS 70 HD2 LYS 70 12.224 -12.239 -1.658 536 HD3 LYS 70 HD1 LYS 70 13.031 -13.697 -1.075 537 HE2 LYS 70 HE2 LYS 70 14.356 -11.868 0.358 538 HE3 LYS 70 HE1 LYS 70 12.831 -11.009 0.150 539 HZ1 LYS 70 HZ1 LYS 70 13.216 -12.660 2.136 540 HZ2 LYS 70 HZ2 LYS 70 12.723 -13.808 0.996 541 HZ3 LYS 70 HZ3 LYS 70 11.701 -12.521 1.394 542 H LYS 71 HN LYS 71 14.451 -13.756 -6.043 543 HA LYS 71 HA LYS 71 14.084 -15.295 -7.676 544 HB2 LYS 71 HB2 LYS 71 16.762 -15.325 -7.268 545 HB3 LYS 71 HB1 LYS 71 16.375 -17.005 -6.926 546 HG2 LYS 71 HG2 LYS 71 16.664 -17.250 -9.136 547 HG3 LYS 71 HG1 LYS 71 15.004 -16.656 -9.220 548 HD2 LYS 71 HD2 LYS 71 15.626 -14.638 -10.048 549 HD3 LYS 71 HD1 LYS 71 17.135 -14.608 -9.134 550 HE2 LYS 71 HE2 LYS 71 16.729 -16.491 -11.435 551 HE3 LYS 71 HE1 LYS 71 17.270 -14.832 -11.689 552 HZ1 LYS 71 HZ1 LYS 71 19.228 -15.221 -10.492 553 HZ2 LYS 71 HZ2 LYS 71 19.050 -16.591 -11.468 554 HZ3 LYS 71 HZ3 LYS 71 18.655 -16.667 -9.825 555 H ARG 72 HN ARG 72 14.414 -18.003 -7.866 556 HA ARG 72 HA ARG 72 12.281 -19.002 -6.361 557 HB2 ARG 72 HB2 ARG 72 14.492 -20.535 -7.741 558 HB3 ARG 72 HB1 ARG 72 12.965 -21.218 -7.198 559 HG2 ARG 72 HG2 ARG 72 11.801 -20.350 -8.928 560 HG3 ARG 72 HG1 ARG 72 12.792 -18.893 -9.008 561 HD2 ARG 72 HD2 ARG 72 14.625 -20.645 -9.789 562 HD3 ARG 72 HD1 ARG 72 13.193 -21.545 -10.284 563 HE ARG 72 HE ARG 72 12.756 -19.086 -11.315 564 HH11 ARG 72 HH11 ARG 72 15.452 -21.294 -11.490 565 HH12 ARG 72 HH12 ARG 72 15.950 -20.758 -13.060 566 HH21 ARG 72 HH21 ARG 72 13.408 -18.380 -13.380 567 HH22 ARG 72 HH22 ARG 72 14.790 -19.104 -14.133 568 H LYS 73 HN LYS 73 12.460 -21.016 -4.958 569 HA LYS 73 HA LYS 73 13.068 -21.959 -2.980 570 HB2 LYS 73 HB2 LYS 73 15.831 -21.055 -3.813 571 HB3 LYS 73 HB1 LYS 73 15.483 -22.191 -2.517 572 HG2 LYS 73 HG2 LYS 73 14.503 -22.737 -5.284 573 HG3 LYS 73 HG1 LYS 73 16.180 -23.073 -4.849 574 HD2 LYS 73 HD2 LYS 73 15.624 -24.830 -3.544 575 HD3 LYS 73 HD1 LYS 73 14.156 -24.053 -2.947 576 HE2 LYS 73 HE2 LYS 73 13.290 -25.782 -4.202 577 HE3 LYS 73 HE1 LYS 73 13.285 -24.458 -5.366 578 HZ1 LYS 73 HZ1 LYS 73 15.634 -25.398 -5.928 579 HZ2 LYS 73 HZ2 LYS 73 14.250 -26.119 -6.580 580 HZ3 LYS 73 HZ3 LYS 73 15.020 -26.821 -5.248 581 H ASP 74 HN ASP 74 11.853 -20.313 -1.881 582 HA ASP 74 HA ASP 74 13.223 -17.986 -0.868 583 HB2 ASP 74 HB2 ASP 74 11.079 -17.602 0.366 584 HB3 ASP 74 HB1 ASP 74 10.880 -17.761 -1.377 585 H ASN 75 HN ASN 75 11.937 -21.002 0.498 586 HA ASN 75 HA ASN 75 13.963 -20.971 2.551 587 HB2 ASN 75 HB2 ASN 75 11.065 -20.482 3.177 588 HB3 ASN 75 HB1 ASN 75 12.104 -21.299 4.341 589 HD21 ASN 75 HD21 ASN 75 13.861 -20.169 5.236 590 HD22 ASN 75 HD22 ASN 75 13.904 -18.442 5.245 591 H GLU 76 HN GLU 76 10.745 -22.477 2.403 592 HA GLU 76 HA GLU 76 11.670 -25.042 3.069 593 HB2 GLU 76 HB2 GLU 76 9.442 -25.823 2.378 594 HB3 GLU 76 HB1 GLU 76 9.346 -24.386 3.386 595 HG2 GLU 76 HG2 GLU 76 9.321 -23.164 1.056 596 HG3 GLU 76 HG1 GLU 76 8.727 -24.729 0.503 597 H GLY 77 HN GLY 77 10.995 -23.534 -0.061 598 HA2 GLY 77 HA2 GLY 77 12.359 -24.093 -1.969 599 HA3 GLY 77 HA1 GLY 77 12.508 -25.722 -1.328 600 H ASN 78 HN ASN 78 9.623 -23.706 -1.790 601 HA ASN 78 HA ASN 78 8.430 -25.884 -3.293 602 HB2 ASN 78 HB2 ASN 78 7.424 -24.444 -1.244 603 HB3 ASN 78 HB1 ASN 78 6.801 -23.533 -2.613 604 HD21 ASN 78 HD21 ASN 78 7.324 -26.993 -2.045 605 HD22 ASN 78 HD22 ASN 78 5.700 -27.471 -2.390 606 H GLU 79 HN GLU 79 10.367 -23.997 -4.362 607 HA GLU 79 HA GLU 79 10.761 -22.647 -6.166 608 HB2 GLU 79 HB2 GLU 79 9.485 -24.976 -6.943 609 HB3 GLU 79 HB1 GLU 79 8.588 -23.721 -7.787 610 HG2 GLU 79 HG2 GLU 79 10.600 -22.910 -8.822 611 HG3 GLU 79 HG1 GLU 79 11.579 -24.032 -7.879 612 H VAL 80 HN VAL 80 10.144 -20.635 -5.368 613 HA VAL 80 HA VAL 80 7.432 -19.745 -6.098 614 HB VAL 80 HB VAL 80 7.904 -19.583 -3.693 615 HG11 VAL 80 HG11 VAL 80 9.572 -17.932 -2.896 616 HG12 VAL 80 HG12 VAL 80 10.150 -17.766 -4.554 617 HG13 VAL 80 HG13 VAL 80 10.295 -19.314 -3.721 618 HG21 VAL 80 HG21 VAL 80 6.427 -17.941 -4.837 619 HG22 VAL 80 HG22 VAL 80 7.806 -16.849 -4.961 620 HG23 VAL 80 HG23 VAL 80 7.187 -17.312 -3.376 621 H VAL 81 HN VAL 81 7.158 -17.804 -7.198 622 HA VAL 81 HA VAL 81 9.520 -16.911 -8.675 623 HB VAL 81 HB VAL 81 6.632 -16.210 -9.206 624 HG11 VAL 81 HG11 VAL 81 8.993 -16.112 -11.073 625 HG12 VAL 81 HG12 VAL 81 8.426 -14.725 -10.142 626 HG13 VAL 81 HG13 VAL 81 7.372 -15.471 -11.343 627 HG21 VAL 81 HG21 VAL 81 6.560 -17.958 -10.829 628 HG22 VAL 81 HG22 VAL 81 7.102 -18.667 -9.308 629 HG23 VAL 81 HG23 VAL 81 8.268 -18.329 -10.588 630 HA PRO 82 HA PRO 82 9.657 -13.167 -6.278 631 HB2 PRO 82 HB2 PRO 82 11.325 -11.730 -7.845 632 HB3 PRO 82 HB1 PRO 82 11.886 -13.086 -6.859 633 HG2 PRO 82 HG2 PRO 82 11.235 -13.011 -9.781 634 HG3 PRO 82 HG1 PRO 82 12.611 -13.772 -8.962 635 HD2 PRO 82 HD2 PRO 82 10.428 -15.166 -9.773 636 HD3 PRO 82 HD1 PRO 82 11.384 -15.621 -8.349 637 H LYS 83 HN LYS 83 7.263 -13.189 -7.323 638 HA LYS 83 HA LYS 83 6.890 -11.115 -9.303 639 HB2 LYS 83 HB2 LYS 83 5.144 -13.063 -7.885 640 HB3 LYS 83 HB1 LYS 83 4.391 -11.596 -8.495 641 HG2 LYS 83 HG2 LYS 83 5.163 -12.101 -10.738 642 HG3 LYS 83 HG1 LYS 83 5.994 -13.540 -10.144 643 HD2 LYS 83 HD2 LYS 83 3.917 -14.571 -9.545 644 HD3 LYS 83 HD1 LYS 83 3.025 -13.087 -9.886 645 HE2 LYS 83 HE2 LYS 83 3.078 -13.410 -12.132 646 HE3 LYS 83 HE1 LYS 83 4.654 -14.198 -12.090 647 HZ1 LYS 83 HZ1 LYS 83 2.579 -15.586 -12.645 648 HZ2 LYS 83 HZ2 LYS 83 2.285 -15.554 -10.980 649 HZ3 LYS 83 HZ3 LYS 83 3.719 -16.229 -11.572 650 HA PRO 84 HA PRO 84 6.334 -7.706 -6.567 651 HB2 PRO 84 HB2 PRO 84 4.422 -6.265 -7.845 652 HB3 PRO 84 HB1 PRO 84 6.088 -6.376 -8.425 653 HG2 PRO 84 HG2 PRO 84 3.661 -7.876 -9.334 654 HG3 PRO 84 HG1 PRO 84 4.949 -7.139 -10.305 655 HD2 PRO 84 HD2 PRO 84 4.865 -9.792 -9.775 656 HD3 PRO 84 HD1 PRO 84 6.391 -8.905 -9.963 657 H GLN 85 HN GLN 85 5.134 -7.096 -4.821 658 HA GLN 85 HA GLN 85 2.569 -8.487 -4.448 659 HB2 GLN 85 HB2 GLN 85 3.000 -8.070 -1.997 660 HB3 GLN 85 HB1 GLN 85 4.121 -9.175 -2.781 661 HG2 GLN 85 HG2 GLN 85 5.792 -7.443 -2.926 662 HG3 GLN 85 HG1 GLN 85 4.665 -6.261 -2.261 663 HE21 GLN 85 HE21 GLN 85 5.426 -9.592 -1.324 664 HE22 GLN 85 HE22 GLN 85 5.882 -9.216 0.299 665 H ARG 86 HN ARG 86 0.743 -7.370 -4.069 666 HA ARG 86 HA ARG 86 0.969 -4.438 -3.904 667 HB2 ARG 86 HB2 ARG 86 -1.446 -5.954 -4.878 668 HB3 ARG 86 HB1 ARG 86 -1.082 -4.247 -5.086 669 HG2 ARG 86 HG2 ARG 86 -0.536 -4.983 -7.157 670 HG3 ARG 86 HG1 ARG 86 1.020 -5.234 -6.362 671 HD2 ARG 86 HD2 ARG 86 0.848 -7.484 -6.445 672 HD3 ARG 86 HD1 ARG 86 -0.891 -7.465 -6.154 673 HE ARG 86 HE ARG 86 -0.161 -6.507 -8.759 674 HH11 ARG 86 HH11 ARG 86 -0.848 -9.352 -6.859 675 HH12 ARG 86 HH12 ARG 86 -1.313 -10.306 -8.227 676 HH21 ARG 86 HH21 ARG 86 -0.773 -7.760 -10.560 677 HH22 ARG 86 HH22 ARG 86 -1.270 -9.403 -10.329 678 H HIS 87 HN HIS 87 0.153 -3.432 -2.172 679 HA HIS 87 HA HIS 87 -1.651 -4.951 -0.405 680 HB2 HIS 87 HB2 HIS 87 -0.550 -3.547 1.462 681 HB3 HIS 87 HB1 HIS 87 0.349 -4.914 0.813 682 HD1 HIS 87 HD1 HIS 87 0.778 -1.482 1.673 683 HD2 HIS 87 HD2 HIS 87 2.232 -3.946 -1.340 684 HE1 HIS 87 HE1 HIS 87 2.830 -0.326 0.791 685 HE2 HIS 87 HE2 HIS 87 3.643 -1.793 -1.089 686 H MET 88 HN MET 88 -3.441 -3.926 0.309 687 HA MET 88 HA MET 88 -3.712 -1.064 -0.332 688 HB2 MET 88 HB2 MET 88 -6.048 -1.443 -0.909 689 HB3 MET 88 HB1 MET 88 -5.003 -2.443 -1.909 690 HG2 MET 88 HG2 MET 88 -6.570 -3.984 -1.368 691 HG3 MET 88 HG1 MET 88 -5.474 -4.212 -0.006 692 HE1 MET 88 HE1 MET 88 -8.522 -4.566 -0.949 693 HE2 MET 88 HE2 MET 88 -9.481 -3.115 -0.656 694 HE3 MET 88 HE3 MET 88 -9.490 -4.430 0.519 695 H PHE 89 HN PHE 89 -4.943 0.199 1.079 696 HA PHE 89 HA PHE 89 -5.677 -1.079 3.627 697 HB2 PHE 89 HB2 PHE 89 -4.126 1.471 3.188 698 HB3 PHE 89 HB1 PHE 89 -4.929 1.107 4.712 699 HD1 PHE 89 HD1 PHE 89 -2.624 -0.555 2.289 700 HD2 PHE 89 HD2 PHE 89 -3.652 0.159 6.357 701 HE1 PHE 89 HE1 PHE 89 -0.658 -1.848 3.009 702 HE2 PHE 89 HE2 PHE 89 -1.687 -1.132 7.084 703 HZ PHE 89 HZ PHE 89 -0.187 -2.137 5.409 704 H SER 90 HN SER 90 -7.363 -0.044 4.811 705 HA SER 90 HA SER 90 -9.318 1.209 3.080 706 HB2 SER 90 HB2 SER 90 -9.499 -0.550 5.206 707 HB3 SER 90 HB1 SER 90 -10.044 0.974 5.904 708 HG SER 90 HG SER 90 -11.608 -0.500 4.716 709 H PHE 91 HN PHE 91 -10.481 3.149 3.703 710 HA PHE 91 HA PHE 91 -9.287 4.909 5.653 711 HB2 PHE 91 HB2 PHE 91 -8.757 5.186 2.755 712 HB3 PHE 91 HB1 PHE 91 -9.207 6.666 3.595 713 HD1 PHE 91 HD2 PHE 91 -7.914 7.094 5.843 714 HD2 PHE 91 HD1 PHE 91 -6.543 4.577 2.697 715 HE1 PHE 91 HE2 PHE 91 -5.606 7.332 6.663 716 HE2 PHE 91 HE1 PHE 91 -4.233 4.810 3.512 717 HZ PHE 91 HZ PHE 91 -3.762 6.190 5.497 718 H ASN 92 HN ASN 92 -10.744 6.326 6.440 719 HA ASN 92 HA ASN 92 -13.359 6.433 5.094 720 HB2 ASN 92 HB2 ASN 92 -12.919 5.558 7.583 721 HB3 ASN 92 HB1 ASN 92 -13.076 7.277 7.934 722 HD21 ASN 92 HD21 ASN 92 -14.944 6.465 9.161 723 HD22 ASN 92 HD22 ASN 92 -16.452 6.296 8.336 724 H ASN 93 HN ASN 93 -11.129 8.124 4.386 725 HA ASN 93 HA ASN 93 -12.463 10.674 4.608 726 HB2 ASN 93 HB2 ASN 93 -9.801 10.157 5.915 727 HB3 ASN 93 HB1 ASN 93 -10.250 11.768 5.363 728 HD21 ASN 93 HD21 ASN 93 -10.746 9.309 7.715 729 HD22 ASN 93 HD22 ASN 93 -11.794 10.209 8.752 730 H ARG 94 HN ARG 94 -12.175 11.850 2.808 731 HA ARG 94 HA ARG 94 -10.527 10.752 0.705 732 HB2 ARG 94 HB2 ARG 94 -12.925 11.967 0.653 733 HB3 ARG 94 HB1 ARG 94 -11.897 13.356 0.329 734 HG2 ARG 94 HG2 ARG 94 -11.333 10.934 -1.253 735 HG3 ARG 94 HG1 ARG 94 -12.866 11.745 -1.580 736 HD2 ARG 94 HD2 ARG 94 -11.624 13.003 -2.971 737 HD3 ARG 94 HD1 ARG 94 -11.186 13.862 -1.495 738 HE ARG 94 HE ARG 94 -9.058 13.089 -1.749 739 HH11 ARG 94 HH11 ARG 94 -11.195 11.027 -3.582 740 HH12 ARG 94 HH12 ARG 94 -9.908 10.100 -4.277 741 HH21 ARG 94 HH21 ARG 94 -7.364 11.871 -2.662 742 HH22 ARG 94 HH22 ARG 94 -7.733 10.579 -3.755 743 H THR 95 HN THR 95 -10.479 13.487 2.879 744 HA THR 95 HA THR 95 -8.433 14.932 1.512 745 HB THR 95 HB THR 95 -9.301 15.107 4.404 746 HG1 THR 95 HG1 THR 95 -10.997 15.516 2.928 747 HG21 THR 95 HG21 THR 95 -7.233 16.253 4.187 748 HG22 THR 95 HG22 THR 95 -8.518 17.461 4.208 749 HG23 THR 95 HG23 THR 95 -7.749 17.019 2.684 750 H VAL 96 HN VAL 96 -8.474 12.703 4.265 751 HA VAL 96 HA VAL 96 -5.744 12.902 4.917 752 HB VAL 96 HB VAL 96 -7.500 10.474 5.295 753 HG11 VAL 96 HG11 VAL 96 -4.971 11.425 6.620 754 HG12 VAL 96 HG12 VAL 96 -5.243 9.916 5.749 755 HG13 VAL 96 HG13 VAL 96 -6.013 10.182 7.313 756 HG21 VAL 96 HG21 VAL 96 -7.149 12.317 7.549 757 HG22 VAL 96 HG22 VAL 96 -8.588 11.462 6.992 758 HG23 VAL 96 HG23 VAL 96 -8.099 12.967 6.213 759 H MET 97 HN MET 97 -7.486 10.848 2.642 760 HA MET 97 HA MET 97 -5.416 9.069 2.016 761 HB2 MET 97 HB2 MET 97 -7.925 9.954 0.694 762 HB3 MET 97 HB1 MET 97 -6.736 9.139 -0.313 763 HG2 MET 97 HG2 MET 97 -6.733 7.266 1.323 764 HG3 MET 97 HG1 MET 97 -8.055 8.069 2.169 765 HE1 MET 97 HE1 MET 97 -6.871 6.846 -1.317 766 HE2 MET 97 HE2 MET 97 -7.820 8.254 -1.792 767 HE3 MET 97 HE3 MET 97 -8.383 6.633 -2.200 768 H ASP 98 HN ASP 98 -6.147 12.294 0.834 769 HA ASP 98 HA ASP 98 -4.337 12.284 -1.344 770 HB2 ASP 98 HB2 ASP 98 -6.291 13.952 -0.640 771 HB3 ASP 98 HB1 ASP 98 -4.946 14.831 0.080 772 H ASN 99 HN ASN 99 -3.992 12.943 2.070 773 HA ASN 99 HA ASN 99 -1.416 14.166 1.876 774 HB2 ASN 99 HB2 ASN 99 -3.178 13.209 4.077 775 HB3 ASN 99 HB1 ASN 99 -1.461 13.377 4.430 776 HD21 ASN 99 HD21 ASN 99 -1.661 15.092 5.797 777 HD22 ASN 99 HD22 ASN 99 -2.157 16.665 5.285 778 H ILE 100 HN ILE 100 -2.569 10.909 2.676 779 HA ILE 100 HA ILE 100 -0.067 9.778 3.267 780 HB ILE 100 HB ILE 100 -2.460 8.367 2.077 781 HG12 ILE 100 HG12 ILE 100 -3.008 9.656 4.129 782 HG13 ILE 100 HG11 ILE 100 -3.156 7.918 4.360 783 HG21 ILE 100 HG21 ILE 100 -0.011 7.399 3.523 784 HG22 ILE 100 HG22 ILE 100 -0.616 6.913 1.940 785 HG23 ILE 100 HG23 ILE 100 -1.480 6.431 3.400 786 HD11 ILE 100 HD11 ILE 100 -1.645 7.918 5.984 787 HD12 ILE 100 HD12 ILE 100 -1.791 9.675 5.977 788 HD13 ILE 100 HD13 ILE 100 -0.516 8.892 5.044 789 H LYS 101 HN LYS 101 -1.965 9.568 0.250 790 HA LYS 101 HA LYS 101 -0.017 8.260 -1.268 791 HB2 LYS 101 HB2 LYS 101 -2.332 10.033 -2.006 792 HB3 LYS 101 HB1 LYS 101 -1.272 9.358 -3.236 793 HG2 LYS 101 HG2 LYS 101 -1.847 7.126 -1.863 794 HG3 LYS 101 HG1 LYS 101 -3.321 8.051 -1.571 795 HD2 LYS 101 HD2 LYS 101 -2.222 7.851 -4.342 796 HD3 LYS 101 HD1 LYS 101 -3.138 6.503 -3.666 797 HE2 LYS 101 HE2 LYS 101 -5.053 7.896 -3.314 798 HE3 LYS 101 HE1 LYS 101 -4.142 9.342 -3.748 799 HZ1 LYS 101 HZ1 LYS 101 -5.697 8.075 -5.456 800 HZ2 LYS 101 HZ2 LYS 101 -4.268 7.216 -5.739 801 HZ3 LYS 101 HZ3 LYS 101 -4.299 8.895 -5.944 802 H MET 102 HN MET 102 -0.746 11.732 -1.016 803 HA MET 102 HA MET 102 1.190 12.654 -2.800 804 HB2 MET 102 HB2 MET 102 -0.584 14.090 -1.954 805 HB3 MET 102 HB1 MET 102 0.073 13.987 -0.327 806 HG2 MET 102 HG2 MET 102 2.112 15.121 -1.104 807 HG3 MET 102 HG1 MET 102 1.392 15.274 -2.706 808 HE1 MET 102 HE1 MET 102 -1.220 16.041 -2.742 809 HE2 MET 102 HE2 MET 102 -1.776 17.456 -1.848 810 HE3 MET 102 HE3 MET 102 -1.818 15.863 -1.092 811 H THR 103 HN THR 103 1.411 11.954 0.657 812 HA THR 103 HA THR 103 4.099 12.882 0.919 813 HB THR 103 HB THR 103 2.505 11.024 2.695 814 HG1 THR 103 HG1 THR 103 1.461 12.798 3.069 815 HG21 THR 103 HG21 THR 103 4.031 11.306 4.383 816 HG22 THR 103 HG22 THR 103 4.725 12.757 3.661 817 HG23 THR 103 HG23 THR 103 5.081 11.173 2.972 818 H LEU 104 HN LEU 104 2.607 9.876 0.008 819 HA LEU 104 HA LEU 104 4.989 8.298 0.363 820 HB2 LEU 104 HB2 LEU 104 2.257 7.779 -0.003 821 HB3 LEU 104 HB1 LEU 104 3.047 7.123 -1.424 822 HG LEU 104 HG LEU 104 4.270 6.438 1.184 823 HD11 LEU 104 HD11 LEU 104 1.574 6.271 1.122 824 HD12 LEU 104 HD12 LEU 104 2.614 5.176 2.032 825 HD13 LEU 104 HD13 LEU 104 2.016 4.704 0.442 826 HD21 LEU 104 HD21 LEU 104 3.958 5.300 -1.525 827 HD22 LEU 104 HD22 LEU 104 4.038 4.152 -0.188 828 HD23 LEU 104 HD23 LEU 104 5.352 5.300 -0.445 829 H GLN 105 HN GLN 105 3.195 9.611 -2.409 830 HA GLN 105 HA GLN 105 4.783 8.595 -4.449 831 HB2 GLN 105 HB2 GLN 105 3.808 10.240 -5.870 832 HB3 GLN 105 HB1 GLN 105 2.582 9.790 -4.694 833 HG2 GLN 105 HG2 GLN 105 2.307 11.939 -4.267 834 HG3 GLN 105 HG1 GLN 105 3.915 11.945 -3.546 835 HE21 GLN 105 HE21 GLN 105 2.913 14.220 -4.645 836 HE22 GLN 105 HE22 GLN 105 3.762 14.601 -6.100 837 H GLN 106 HN GLN 106 5.363 11.254 -2.278 838 HA GLN 106 HA GLN 106 7.482 12.423 -3.811 839 HB2 GLN 106 HB2 GLN 106 6.339 12.827 -1.085 840 HB3 GLN 106 HB1 GLN 106 7.947 13.456 -1.416 841 HG2 GLN 106 HG2 GLN 106 7.160 14.913 -3.070 842 HG3 GLN 106 HG1 GLN 106 5.614 14.074 -3.192 843 HE21 GLN 106 HE21 GLN 106 7.432 15.238 -0.386 844 HE22 GLN 106 HE22 GLN 106 6.182 16.267 0.217 845 H ILE 107 HN ILE 107 7.309 10.254 -1.014 846 HA ILE 107 HA ILE 107 10.064 10.117 -0.494 847 HB ILE 107 HB ILE 107 8.015 7.950 -0.014 848 HG12 ILE 107 HG12 ILE 107 8.906 9.868 2.096 849 HG13 ILE 107 HG11 ILE 107 7.711 10.411 0.923 850 HG21 ILE 107 HG21 ILE 107 10.177 7.031 0.269 851 HG22 ILE 107 HG22 ILE 107 9.582 7.396 1.889 852 HG23 ILE 107 HG23 ILE 107 10.754 8.465 1.117 853 HD11 ILE 107 HD11 ILE 107 6.337 9.617 2.545 854 HD12 ILE 107 HD12 ILE 107 7.483 8.384 3.070 855 HD13 ILE 107 HD13 ILE 107 6.544 8.144 1.597 856 H ILE 108 HN ILE 108 8.048 8.454 -2.821 857 HA ILE 108 HA ILE 108 10.096 6.539 -3.519 858 HB ILE 108 HB ILE 108 7.544 7.160 -5.008 859 HG12 ILE 108 HG12 ILE 108 8.062 5.078 -2.873 860 HG13 ILE 108 HG11 ILE 108 7.089 6.531 -2.667 861 HG21 ILE 108 HG21 ILE 108 9.688 5.152 -5.293 862 HG22 ILE 108 HG22 ILE 108 8.626 5.863 -6.509 863 HG23 ILE 108 HG23 ILE 108 8.035 4.563 -5.473 864 HD11 ILE 108 HD11 ILE 108 5.760 5.548 -4.696 865 HD12 ILE 108 HD12 ILE 108 5.469 4.973 -3.054 866 HD13 ILE 108 HD13 ILE 108 6.479 4.033 -4.152 867 H SER 109 HN SER 109 8.959 9.638 -4.651 868 HA SER 109 HA SER 109 10.397 9.501 -7.147 869 HB2 SER 109 HB2 SER 109 8.240 10.826 -6.694 870 HB3 SER 109 HB1 SER 109 9.281 12.010 -5.905 871 HG SER 109 HG SER 109 10.429 12.190 -7.878 872 H ARG 110 HN ARG 110 10.939 10.742 -3.930 873 HA ARG 110 HA ARG 110 13.169 12.389 -4.592 874 HB2 ARG 110 HB2 ARG 110 13.531 12.557 -2.206 875 HB3 ARG 110 HB1 ARG 110 11.810 12.692 -2.542 876 HG2 ARG 110 HG2 ARG 110 11.465 10.396 -1.859 877 HG3 ARG 110 HG1 ARG 110 13.197 10.194 -1.594 878 HD2 ARG 110 HD2 ARG 110 11.419 12.141 -0.128 879 HD3 ARG 110 HD1 ARG 110 11.964 10.588 0.499 880 HE ARG 110 HE ARG 110 14.069 11.478 0.846 881 HH11 ARG 110 HH11 ARG 110 12.074 13.769 -0.880 882 HH12 ARG 110 HH12 ARG 110 13.172 15.086 -0.646 883 HH21 ARG 110 HH21 ARG 110 15.508 13.212 1.152 884 HH22 ARG 110 HH22 ARG 110 15.120 14.771 0.506 885 H TYR 111 HN TYR 111 12.775 9.035 -3.620 886 HA TYR 111 HA TYR 111 15.652 8.636 -3.464 887 HB2 TYR 111 HB2 TYR 111 13.382 6.665 -3.117 888 HB3 TYR 111 HB1 TYR 111 15.082 6.335 -2.803 889 HD1 TYR 111 HD2 TYR 111 15.709 9.034 -1.492 890 HD2 TYR 111 HD1 TYR 111 12.546 6.242 -0.933 891 HE1 TYR 111 HE2 TYR 111 15.432 9.819 0.822 892 HE2 TYR 111 HE1 TYR 111 12.262 7.020 1.383 893 HH TYR 111 HH TYR 111 12.769 9.202 2.668 894 H LYS 112 HN LYS 112 13.262 8.547 -5.850 895 HA LYS 112 HA LYS 112 14.030 6.367 -7.422 896 HB2 LYS 112 HB2 LYS 112 12.375 8.723 -7.718 897 HB3 LYS 112 HB1 LYS 112 13.252 8.386 -9.204 898 HG2 LYS 112 HG2 LYS 112 12.372 5.916 -8.621 899 HG3 LYS 112 HG1 LYS 112 11.085 6.882 -7.898 900 HD2 LYS 112 HD2 LYS 112 11.377 8.141 -10.274 901 HD3 LYS 112 HD1 LYS 112 11.802 6.489 -10.729 902 HE2 LYS 112 HE2 LYS 112 9.671 5.772 -9.556 903 HE3 LYS 112 HE1 LYS 112 9.241 7.481 -9.502 904 HZ1 LYS 112 HZ1 LYS 112 8.253 6.831 -11.442 905 HZ2 LYS 112 HZ2 LYS 112 9.442 5.688 -11.816 906 HZ3 LYS 112 HZ3 LYS 112 9.754 7.336 -12.039 907 H ASP 113 HN ASP 113 15.283 9.660 -7.260 908 HA ASP 113 HA ASP 113 17.119 9.260 -9.443 909 HB2 ASP 113 HB2 ASP 113 16.036 11.483 -8.620 910 HB3 ASP 113 HB1 ASP 113 17.347 11.490 -7.445 911 H ALA 114 HN ALA 114 17.286 9.323 -5.917 912 HA ALA 114 HA ALA 114 20.105 9.120 -5.729 913 HB1 ALA 114 HB1 ALA 114 19.288 9.810 -3.731 914 HB2 ALA 114 HB2 ALA 114 19.332 8.080 -3.392 915 HB3 ALA 114 HB3 ALA 114 17.818 8.846 -3.873 916 H ASP 115 HN ASP 115 17.528 6.677 -5.449 917 HA ASP 115 HA ASP 115 19.567 4.581 -5.732 918 HB2 ASP 115 HB2 ASP 115 16.849 4.665 -4.484 919 HB3 ASP 115 HB1 ASP 115 17.462 3.128 -5.087 920 H1 ASP 453 HN ASP 453 -14.079 -14.225 -3.748 921 HA ASP 453 HA ASP 453 -13.855 -11.691 -5.234 922 HB2 ASP 453 HB2 ASP 453 -16.219 -12.531 -4.391 923 HB3 ASP 453 HB1 ASP 453 -15.654 -11.880 -2.856 924 H LEU 454 HN LEU 454 -11.827 -11.120 -4.601 925 HA LEU 454 HA LEU 454 -11.473 -9.931 -2.082 926 HB2 LEU 454 HB2 LEU 454 -11.360 -12.306 -1.367 927 HB3 LEU 454 HB1 LEU 454 -9.983 -12.533 -2.429 928 HG LEU 454 HG LEU 454 -8.888 -10.630 -1.054 929 HD11 LEU 454 HD11 LEU 454 -9.694 -10.668 1.326 930 HD12 LEU 454 HD12 LEU 454 -11.155 -11.462 0.740 931 HD13 LEU 454 HD13 LEU 454 -10.750 -9.839 0.183 932 HD21 LEU 454 HD21 LEU 454 -9.262 -13.489 -0.392 933 HD22 LEU 454 HD22 LEU 454 -8.523 -12.471 0.845 934 HD23 LEU 454 HD23 LEU 454 -7.790 -12.589 -0.755 935 H ASP 455 HN ASP 455 -9.863 -11.504 -4.808 936 HA ASP 455 HA ASP 455 -7.693 -9.548 -4.690 937 HB2 ASP 455 HB2 ASP 455 -7.452 -12.129 -5.112 938 HB3 ASP 455 HB1 ASP 455 -7.867 -11.699 -6.768 939 H GLU 456 HN GLU 456 -9.797 -10.911 -7.232 940 HA GLU 456 HA GLU 456 -9.336 -8.697 -8.983 941 HB2 GLU 456 HB2 GLU 456 -11.433 -10.870 -9.125 942 HB3 GLU 456 HB1 GLU 456 -11.013 -9.765 -10.426 943 HG2 GLU 456 HG2 GLU 456 -8.886 -11.463 -9.222 944 HG3 GLU 456 HG1 GLU 456 -10.033 -12.182 -10.351 945 H SER 457 HN SER 457 -11.753 -9.534 -6.611 946 HA SER 457 HA SER 457 -13.819 -7.823 -7.386 947 HB2 SER 457 HB2 SER 457 -13.909 -9.602 -5.589 948 HB3 SER 457 HB1 SER 457 -13.082 -8.464 -4.526 949 HG SER 457 HG SER 457 -14.894 -7.440 -4.257 950 H TRP 458 HN TRP 458 -10.989 -7.226 -5.345 951 HA TRP 458 HA TRP 458 -11.740 -4.436 -5.009 952 HB2 TRP 458 HB2 TRP 458 -9.432 -6.069 -3.945 953 HB3 TRP 458 HB1 TRP 458 -9.618 -4.344 -3.645 954 HD1 TRP 458 HD1 TRP 458 -10.050 -7.287 -1.789 955 HE1 TRP 458 HE1 TRP 458 -11.959 -7.146 -0.070 956 HE3 TRP 458 HE3 TRP 458 -12.537 -3.232 -3.665 957 HZ2 TRP 458 HZ2 TRP 458 -14.220 -5.531 0.426 958 HZ3 TRP 458 HZ3 TRP 458 -14.564 -2.453 -2.509 959 HH2 TRP 458 HH2 TRP 458 -15.387 -3.580 -0.505 960 H ASP 459 HN ASP 459 -9.675 -6.380 -6.982 961 HA ASP 459 HA ASP 459 -7.690 -4.579 -7.708 962 HB2 ASP 459 HB2 ASP 459 -7.714 -6.963 -8.359 963 HB3 ASP 459 HB1 ASP 459 -9.031 -6.632 -9.481 964 H TYR 460 HN TYR 460 -11.025 -4.795 -8.759 965 HA TYR 460 HA TYR 460 -10.807 -3.064 -10.992 966 HB2 TYR 460 HB2 TYR 460 -12.737 -4.700 -10.198 967 HB3 TYR 460 HB1 TYR 460 -13.351 -3.234 -9.440 968 HD1 TYR 460 HD1 TYR 460 -13.892 -1.252 -10.868 969 HD2 TYR 460 HD2 TYR 460 -12.922 -5.043 -12.537 970 HE1 TYR 460 HE1 TYR 460 -14.883 -0.556 -13.008 971 HE2 TYR 460 HE2 TYR 460 -13.909 -4.358 -14.682 972 HH TYR 460 HH TYR 460 -14.379 -1.491 -15.660 973 H ILE 461 HN ILE 461 -12.090 -2.478 -7.715 974 HA ILE 461 HA ILE 461 -12.505 0.267 -7.996 975 HB ILE 461 HB ILE 461 -13.417 -1.039 -6.131 976 HG12 ILE 461 HG12 ILE 461 -11.634 1.252 -5.272 977 HG13 ILE 461 HG11 ILE 461 -13.272 1.391 -5.901 978 HG21 ILE 461 HG21 ILE 461 -10.531 -1.245 -5.337 979 HG22 ILE 461 HG22 ILE 461 -11.719 -2.533 -5.539 980 HG23 ILE 461 HG23 ILE 461 -11.834 -1.435 -4.164 981 HD11 ILE 461 HD11 ILE 461 -13.183 1.646 -3.474 982 HD12 ILE 461 HD12 ILE 461 -12.505 0.023 -3.333 983 HD13 ILE 461 HD13 ILE 461 -14.141 0.245 -3.953 984 H PHE 462 HN PHE 462 -9.591 -1.538 -7.358 985 HA PHE 462 HA PHE 462 -8.093 0.844 -6.631 986 HB2 PHE 462 HB2 PHE 462 -7.318 -2.061 -6.899 987 HB3 PHE 462 HB1 PHE 462 -6.164 -0.787 -6.517 988 HD1 PHE 462 HD2 PHE 462 -7.684 0.894 -4.674 989 HD2 PHE 462 HD1 PHE 462 -7.486 -3.345 -4.985 990 HE1 PHE 462 HE2 PHE 462 -8.256 0.697 -2.290 991 HE2 PHE 462 HE1 PHE 462 -8.060 -3.550 -2.601 992 HZ PHE 462 HZ PHE 462 -8.445 -1.528 -1.250 993 H GLU 463 HN GLU 463 -8.584 -1.248 -9.382 994 HA GLU 463 HA GLU 463 -6.355 -0.258 -10.885 995 HB2 GLU 463 HB2 GLU 463 -7.274 -2.485 -11.310 996 HB3 GLU 463 HB1 GLU 463 -8.813 -1.776 -11.779 997 HG2 GLU 463 HG2 GLU 463 -6.312 -1.016 -13.221 998 HG3 GLU 463 HG1 GLU 463 -7.134 -2.530 -13.597 999 H THR 464 HN THR 464 -9.720 0.606 -10.520 1000 HA THR 464 HA THR 464 -9.686 2.430 -12.766 1001 HB THR 464 HB THR 464 -11.979 3.066 -11.788 1002 HG1 THR 464 HG1 THR 464 -11.621 2.227 -9.702 1003 HG21 THR 464 HG21 THR 464 -11.224 0.494 -13.015 1004 HG22 THR 464 HG22 THR 464 -12.357 1.731 -13.561 1005 HG23 THR 464 HG23 THR 464 -12.833 0.593 -12.300 1006 H THR 465 HN THR 465 -8.009 3.859 -12.181 1007 HA THR 465 HA THR 465 -8.791 5.795 -10.108 1008 HB THR 465 HB THR 465 -5.956 4.912 -10.678 1009 HG1 THR 465 HG1 THR 465 -7.621 4.319 -8.461 1010 HG21 THR 465 HG21 THR 465 -6.429 6.166 -8.128 1011 HG22 THR 465 HG22 THR 465 -6.843 7.240 -9.465 1012 HG23 THR 465 HG23 THR 465 -5.229 6.536 -9.366 Start of MODEL 20 1 H2 PRO 1 HT1 PRO 1 5.849 16.225 12.618 2 H3 PRO 1 HT2 PRO 1 6.229 14.882 13.489 3 HA PRO 1 HA PRO 1 4.264 14.326 13.425 4 HB2 PRO 1 HB2 PRO 1 3.025 16.529 14.864 5 HB3 PRO 1 HB1 PRO 1 3.293 14.861 15.385 6 HG2 PRO 1 HG2 PRO 1 4.667 16.966 16.414 7 HG3 PRO 1 HG1 PRO 1 5.345 15.333 16.289 8 HD2 PRO 1 HD2 PRO 1 5.768 17.703 14.491 9 HD3 PRO 1 HD1 PRO 1 6.958 16.547 15.119 10 H SER 2 HN SER 2 4.800 15.456 11.087 11 HA SER 2 HA SER 2 2.605 17.314 10.487 12 HB2 SER 2 HB2 SER 2 5.201 17.542 9.784 13 HB3 SER 2 HB1 SER 2 4.593 16.653 8.388 14 HG SER 2 HG SER 2 4.274 19.251 9.020 15 H HIS 3 HN HIS 3 4.254 14.707 8.696 16 HA HIS 3 HA HIS 3 1.917 14.068 7.200 17 HB2 HIS 3 HB2 HIS 3 4.354 12.320 7.542 18 HB3 HIS 3 HB1 HIS 3 3.222 12.337 6.194 19 HD1 HIS 3 HD1 HIS 3 3.448 15.685 6.379 20 HD2 HIS 3 HD2 HIS 3 6.361 12.842 5.544 21 HE1 HIS 3 HE1 HIS 3 5.237 16.910 5.106 22 HE2 HIS 3 HE2 HIS 3 6.948 15.151 4.536 23 H SER 4 HN SER 4 0.190 13.250 8.209 24 HA SER 4 HA SER 4 0.417 10.678 9.497 25 HB2 SER 4 HB2 SER 4 -0.665 11.354 11.591 26 HB3 SER 4 HB1 SER 4 0.859 12.216 11.376 27 HG SER 4 HG SER 4 -1.763 13.199 10.927 28 H GLY 5 HN GLY 5 -1.795 9.855 10.153 29 HA2 GLY 5 HA2 GLY 5 -4.213 10.933 9.459 30 HA3 GLY 5 HA1 GLY 5 -3.589 10.276 7.954 31 H ALA 6 HN ALA 6 -5.886 9.535 9.777 32 HA ALA 6 HA ALA 6 -5.384 7.091 11.043 33 HB1 ALA 6 HB1 ALA 6 -8.028 7.405 9.777 34 HB2 ALA 6 HB2 ALA 6 -7.532 8.702 10.863 35 HB3 ALA 6 HB3 ALA 6 -7.603 7.041 11.449 36 H ALA 7 HN ALA 7 -5.077 5.078 10.325 37 HA ALA 7 HA ALA 7 -5.868 4.389 7.589 38 HB1 ALA 7 HB1 ALA 7 -3.200 3.452 8.518 39 HB2 ALA 7 HB2 ALA 7 -3.356 5.103 7.917 40 HB3 ALA 7 HB3 ALA 7 -3.789 3.743 6.882 41 H ILE 8 HN ILE 8 -7.149 2.679 7.748 42 HA ILE 8 HA ILE 8 -6.760 0.786 9.956 43 HB ILE 8 HB ILE 8 -9.097 0.809 8.061 44 HG12 ILE 8 HG12 ILE 8 -10.197 2.039 10.107 45 HG13 ILE 8 HG11 ILE 8 -8.545 2.551 10.437 46 HG21 ILE 8 HG21 ILE 8 -9.262 0.013 10.915 47 HG22 ILE 8 HG22 ILE 8 -8.431 -1.071 9.799 48 HG23 ILE 8 HG23 ILE 8 -10.112 -0.626 9.508 49 HD11 ILE 8 HD11 ILE 8 -9.584 2.924 7.688 50 HD12 ILE 8 HD12 ILE 8 -8.461 3.912 8.622 51 HD13 ILE 8 HD13 ILE 8 -10.190 3.985 8.959 52 H PHE 9 HN PHE 9 -5.721 -1.040 9.575 53 HA PHE 9 HA PHE 9 -5.556 -2.035 6.817 54 HB2 PHE 9 HB2 PHE 9 -3.407 -1.612 7.936 55 HB3 PHE 9 HB1 PHE 9 -3.860 -2.712 9.233 56 HD1 PHE 9 HD2 PHE 9 -4.264 -3.088 5.556 57 HD2 PHE 9 HD1 PHE 9 -2.349 -4.460 9.100 58 HE1 PHE 9 HE2 PHE 9 -3.289 -4.964 4.298 59 HE2 PHE 9 HE1 PHE 9 -1.370 -6.338 7.848 60 HZ PHE 9 HZ PHE 9 -1.839 -6.592 5.444 61 H GLU 10 HN GLU 10 -6.971 -3.568 6.327 62 HA GLU 10 HA GLU 10 -8.129 -5.528 6.397 63 HB2 GLU 10 HB2 GLU 10 -6.037 -5.959 8.284 64 HB3 GLU 10 HB1 GLU 10 -7.523 -6.606 8.966 65 HG2 GLU 10 HG2 GLU 10 -7.825 -8.090 7.174 66 HG3 GLU 10 HG1 GLU 10 -6.636 -7.254 6.177 67 H LYS 11 HN LYS 11 -8.019 -3.859 9.551 68 HA LYS 11 HA LYS 11 -10.738 -3.227 9.560 69 HB2 LYS 11 HB2 LYS 11 -11.526 -4.780 11.349 70 HB3 LYS 11 HB1 LYS 11 -11.205 -5.567 9.810 71 HG2 LYS 11 HG2 LYS 11 -9.166 -6.489 10.615 72 HG3 LYS 11 HG1 LYS 11 -9.240 -5.516 12.086 73 HD2 LYS 11 HD2 LYS 11 -11.361 -6.711 12.668 74 HD3 LYS 11 HD1 LYS 11 -11.071 -7.775 11.290 75 HE2 LYS 11 HE2 LYS 11 -8.842 -7.433 13.204 76 HE3 LYS 11 HE1 LYS 11 -10.245 -8.335 13.776 77 HZ1 LYS 11 HZ1 LYS 11 -9.214 -9.043 11.144 78 HZ2 LYS 11 HZ2 LYS 11 -9.845 -10.033 12.362 79 HZ3 LYS 11 HZ3 LYS 11 -8.254 -9.469 12.471 80 H VAL 12 HN VAL 12 -7.835 -3.898 11.414 81 HA VAL 12 HA VAL 12 -8.530 -2.596 13.797 82 HB VAL 12 HB VAL 12 -5.784 -2.854 12.561 83 HG11 VAL 12 HG11 VAL 12 -5.388 -1.354 14.239 84 HG12 VAL 12 HG12 VAL 12 -5.270 -2.857 15.155 85 HG13 VAL 12 HG13 VAL 12 -6.755 -1.907 15.207 86 HG21 VAL 12 HG21 VAL 12 -7.463 -4.688 14.221 87 HG22 VAL 12 HG22 VAL 12 -5.703 -4.762 14.312 88 HG23 VAL 12 HG23 VAL 12 -6.520 -5.040 12.773 89 H SER 13 HN SER 13 -8.830 -0.538 14.274 90 HA SER 13 HA SER 13 -8.279 1.493 12.271 91 HB2 SER 13 HB2 SER 13 -9.511 2.010 14.969 92 HB3 SER 13 HB1 SER 13 -9.747 2.893 13.461 93 HG SER 13 HG SER 13 -11.036 1.294 12.713 94 H GLY 14 HN GLY 14 -6.283 2.305 12.228 95 HA2 GLY 14 HA2 GLY 14 -5.126 3.224 14.772 96 HA3 GLY 14 HA1 GLY 14 -4.154 2.241 13.689 97 H ILE 15 HN ILE 15 -3.193 4.656 14.394 98 HA ILE 15 HA ILE 15 -3.783 6.442 12.134 99 HB ILE 15 HB ILE 15 -2.153 7.152 14.566 100 HG12 ILE 15 HG12 ILE 15 -4.343 6.478 15.367 101 HG13 ILE 15 HG11 ILE 15 -4.211 8.232 15.445 102 HG21 ILE 15 HG21 ILE 15 -1.733 8.790 13.023 103 HG22 ILE 15 HG22 ILE 15 -3.167 9.454 13.806 104 HG23 ILE 15 HG23 ILE 15 -3.312 8.626 12.255 105 HD11 ILE 15 HD11 ILE 15 -6.136 8.327 14.361 106 HD12 ILE 15 HD12 ILE 15 -6.107 6.593 14.038 107 HD13 ILE 15 HD13 ILE 15 -5.295 7.708 12.940 108 H ILE 16 HN ILE 16 -2.303 6.806 10.590 109 HA ILE 16 HA ILE 16 0.293 5.475 10.874 110 HB ILE 16 HB ILE 16 -1.511 5.360 8.817 111 HG12 ILE 16 HG12 ILE 16 1.348 5.005 8.097 112 HG13 ILE 16 HG11 ILE 16 0.753 4.099 9.484 113 HG21 ILE 16 HG21 ILE 16 0.706 7.074 7.740 114 HG22 ILE 16 HG22 ILE 16 -0.837 7.752 8.263 115 HG23 ILE 16 HG23 ILE 16 -0.791 6.578 6.948 116 HD11 ILE 16 HD11 ILE 16 -0.110 3.934 6.625 117 HD12 ILE 16 HD12 ILE 16 -1.128 3.331 7.933 118 HD13 ILE 16 HD13 ILE 16 0.481 2.654 7.684 119 H ALA 17 HN ALA 17 2.222 6.538 10.579 120 HA ALA 17 HA ALA 17 2.160 9.407 10.012 121 HB1 ALA 17 HB1 ALA 17 3.314 10.049 11.949 122 HB2 ALA 17 HB2 ALA 17 3.725 8.384 12.361 123 HB3 ALA 17 HB3 ALA 17 2.061 8.948 12.522 124 H ILE 18 HN ILE 18 3.665 9.902 8.566 125 HA ILE 18 HA ILE 18 5.755 7.973 7.959 126 HB ILE 18 HB ILE 18 5.195 10.587 6.560 127 HG12 ILE 18 HG12 ILE 18 4.133 7.821 5.944 128 HG13 ILE 18 HG11 ILE 18 3.186 9.179 6.540 129 HG21 ILE 18 HG21 ILE 18 6.821 8.156 5.889 130 HG22 ILE 18 HG22 ILE 18 7.329 9.844 5.943 131 HG23 ILE 18 HG23 ILE 18 6.271 9.282 4.649 132 HD11 ILE 18 HD11 ILE 18 4.709 9.461 3.997 133 HD12 ILE 18 HD12 ILE 18 3.232 10.269 4.522 134 HD13 ILE 18 HD13 ILE 18 3.182 8.581 4.013 135 H ASN 19 HN ASN 19 7.872 8.226 8.373 136 HA ASN 19 HA ASN 19 8.699 10.723 9.698 137 HB2 ASN 19 HB2 ASN 19 9.362 7.858 10.190 138 HB3 ASN 19 HB1 ASN 19 10.617 9.056 10.495 139 HD21 ASN 19 HD21 ASN 19 10.673 8.977 12.668 140 HD22 ASN 19 HD22 ASN 19 9.346 9.395 13.693 141 H GLU 20 HN GLU 20 10.027 11.965 8.571 142 HA GLU 20 HA GLU 20 11.575 10.771 6.384 143 HB2 GLU 20 HB2 GLU 20 10.431 13.474 6.891 144 HB3 GLU 20 HB1 GLU 20 11.901 13.373 5.932 145 HG2 GLU 20 HG2 GLU 20 9.661 11.573 5.210 146 HG3 GLU 20 HG1 GLU 20 9.490 13.289 4.847 147 H ASP 21 HN ASP 21 12.321 10.677 9.255 148 HA ASP 21 HA ASP 21 14.572 12.470 9.513 149 HB2 ASP 21 HB2 ASP 21 13.345 10.337 11.225 150 HB3 ASP 21 HB1 ASP 21 14.975 10.901 11.577 151 H VAL 22 HN VAL 22 13.983 9.141 8.627 152 HA VAL 22 HA VAL 22 16.862 8.632 8.425 153 HB VAL 22 HB VAL 22 15.466 6.956 9.592 154 HG11 VAL 22 HG11 VAL 22 14.328 5.868 7.118 155 HG12 VAL 22 HG12 VAL 22 13.622 7.393 7.652 156 HG13 VAL 22 HG13 VAL 22 13.629 5.999 8.732 157 HG21 VAL 22 HG21 VAL 22 16.915 5.389 8.965 158 HG22 VAL 22 HG22 VAL 22 17.477 6.523 7.738 159 HG23 VAL 22 HG23 VAL 22 16.250 5.323 7.334 160 H SER 23 HN SER 23 17.825 7.965 6.496 161 HA SER 23 HA SER 23 17.120 9.259 4.181 162 HB2 SER 23 HB2 SER 23 18.927 6.997 4.822 163 HB3 SER 23 HB1 SER 23 18.509 7.213 3.122 164 HG SER 23 HG SER 23 20.241 8.604 4.599 165 HA PRO 24 HA PRO 24 15.156 5.262 2.255 166 HB2 PRO 24 HB2 PRO 24 14.566 3.262 4.053 167 HB3 PRO 24 HB1 PRO 24 16.014 3.303 3.042 168 HG2 PRO 24 HG2 PRO 24 15.674 4.115 5.901 169 HG3 PRO 24 HG1 PRO 24 17.005 3.222 5.140 170 HD2 PRO 24 HD2 PRO 24 17.229 5.829 5.723 171 HD3 PRO 24 HD1 PRO 24 17.953 5.146 4.253 172 H ALA 25 HN ALA 25 14.315 6.653 5.295 173 HA ALA 25 HA ALA 25 12.342 7.388 6.160 174 HB1 ALA 25 HB1 ALA 25 10.373 7.277 4.351 175 HB2 ALA 25 HB2 ALA 25 11.762 7.155 3.270 176 HB3 ALA 25 HB3 ALA 25 11.606 8.539 4.353 177 H GLU 26 HN GLU 26 10.256 6.650 6.951 178 HA GLU 26 HA GLU 26 9.547 3.882 6.408 179 HB2 GLU 26 HB2 GLU 26 10.778 4.828 8.947 180 HB3 GLU 26 HB1 GLU 26 9.464 3.666 9.065 181 HG2 GLU 26 HG2 GLU 26 10.725 1.977 8.325 182 HG3 GLU 26 HG1 GLU 26 11.504 2.967 7.091 183 H LEU 27 HN LEU 27 7.541 3.240 7.563 184 HA LEU 27 HA LEU 27 5.800 5.568 8.056 185 HB2 LEU 27 HB2 LEU 27 5.175 4.615 5.957 186 HB3 LEU 27 HB1 LEU 27 5.215 2.989 6.612 187 HG LEU 27 HG LEU 27 3.299 4.881 7.856 188 HD11 LEU 27 HD11 LEU 27 3.349 4.935 5.167 189 HD12 LEU 27 HD12 LEU 27 1.877 5.105 6.124 190 HD13 LEU 27 HD13 LEU 27 2.302 3.540 5.431 191 HD21 LEU 27 HD21 LEU 27 2.372 2.993 8.597 192 HD22 LEU 27 HD22 LEU 27 3.822 2.178 8.012 193 HD23 LEU 27 HD23 LEU 27 2.384 2.259 6.993 194 H THR 28 HN THR 28 5.089 5.646 10.077 195 HA THR 28 HA THR 28 5.083 3.202 11.686 196 HB THR 28 HB THR 28 4.554 5.957 12.758 197 HG1 THR 28 HG1 THR 28 7.109 4.825 12.277 198 HG21 THR 28 HG21 THR 28 5.800 5.068 14.709 199 HG22 THR 28 HG22 THR 28 5.829 3.493 13.915 200 HG23 THR 28 HG23 THR 28 4.290 4.222 14.372 201 H TRP 29 HN TRP 29 3.272 2.285 12.466 202 HA TRP 29 HA TRP 29 0.732 3.735 12.175 203 HB2 TRP 29 HB2 TRP 29 0.861 2.246 10.269 204 HB3 TRP 29 HB1 TRP 29 1.283 0.889 11.308 205 HD1 TRP 29 HD1 TRP 29 -1.709 3.365 11.023 206 HE1 TRP 29 HE1 TRP 29 -3.872 2.024 11.407 207 HE3 TRP 29 HE3 TRP 29 0.333 -1.237 11.910 208 HZ2 TRP 29 HZ2 TRP 29 -4.615 -0.633 12.007 209 HZ3 TRP 29 HZ3 TRP 29 -1.172 -3.125 12.381 210 HH2 TRP 29 HH2 TRP 29 -3.595 -2.827 12.429 211 H ARG 30 HN ARG 30 0.034 3.996 14.193 212 HA ARG 30 HA ARG 30 0.293 1.740 16.070 213 HB2 ARG 30 HB2 ARG 30 0.225 3.365 17.879 214 HB3 ARG 30 HB1 ARG 30 1.514 3.769 16.753 215 HG2 ARG 30 HG2 ARG 30 -0.438 5.264 15.711 216 HG3 ARG 30 HG1 ARG 30 -0.977 5.221 17.391 217 HD2 ARG 30 HD2 ARG 30 1.461 5.844 17.954 218 HD3 ARG 30 HD1 ARG 30 1.580 6.298 16.255 219 HE ARG 30 HE ARG 30 -0.669 7.466 17.613 220 HH11 ARG 30 HH11 ARG 30 2.724 7.815 16.870 221 HH12 ARG 30 HH12 ARG 30 2.721 9.533 17.080 222 HH21 ARG 30 HH21 ARG 30 -0.674 9.726 17.890 223 HH22 ARG 30 HH22 ARG 30 0.793 10.619 17.660 224 H SER 31 HN SER 31 -1.492 0.906 17.000 225 HA SER 31 HA SER 31 -4.022 1.370 15.888 226 HB2 SER 31 HB2 SER 31 -4.686 0.141 18.186 227 HB3 SER 31 HB1 SER 31 -3.981 -0.717 16.816 228 HG SER 31 HG SER 31 -2.502 0.379 18.977 229 H THR 32 HN THR 32 -5.777 2.545 16.529 230 HA THR 32 HA THR 32 -5.369 4.919 17.957 231 HB THR 32 HB THR 32 -7.863 5.117 17.909 232 HG1 THR 32 HG1 THR 32 -7.768 2.617 16.582 233 HG21 THR 32 HG21 THR 32 -8.121 5.317 15.565 234 HG22 THR 32 HG22 THR 32 -6.815 4.172 15.259 235 HG23 THR 32 HG23 THR 32 -6.456 5.757 15.945 236 H ASP 33 HN ASP 33 -7.416 2.155 18.916 237 HA ASP 33 HA ASP 33 -6.798 2.806 21.724 238 HB2 ASP 33 HB2 ASP 33 -9.401 1.718 20.629 239 HB3 ASP 33 HB1 ASP 33 -9.051 2.034 22.326 240 H GLY 34 HN GLY 34 -5.171 1.309 21.986 241 HA2 GLY 34 HA2 GLY 34 -5.822 -1.267 22.766 242 HA3 GLY 34 HA1 GLY 34 -5.344 -1.382 21.079 243 H ASP 35 HN ASP 35 -3.302 -1.955 20.821 244 HA ASP 35 HA ASP 35 -1.127 -0.592 21.960 245 HB2 ASP 35 HB2 ASP 35 -2.172 -2.159 23.868 246 HB3 ASP 35 HB1 ASP 35 -1.136 -3.346 23.081 247 H LYS 36 HN LYS 36 -1.955 -1.513 19.412 248 HA LYS 36 HA LYS 36 0.228 -3.390 18.779 249 HB2 LYS 36 HB2 LYS 36 -2.594 -3.289 17.843 250 HB3 LYS 36 HB1 LYS 36 -1.370 -3.754 16.669 251 HG2 LYS 36 HG2 LYS 36 -1.894 -5.805 17.479 252 HG3 LYS 36 HG1 LYS 36 -0.629 -5.370 18.631 253 HD2 LYS 36 HD2 LYS 36 -2.813 -4.296 19.829 254 HD3 LYS 36 HD1 LYS 36 -3.525 -5.699 19.030 255 HE2 LYS 36 HE2 LYS 36 -1.156 -5.737 20.897 256 HE3 LYS 36 HE1 LYS 36 -2.798 -6.233 21.304 257 HZ1 LYS 36 HZ1 LYS 36 -0.982 -7.956 20.545 258 HZ2 LYS 36 HZ2 LYS 36 -1.521 -7.511 19.005 259 HZ3 LYS 36 HZ3 LYS 36 -2.611 -8.151 20.129 260 H VAL 37 HN VAL 37 1.803 -2.463 17.664 261 HA VAL 37 HA VAL 37 1.131 -0.489 15.607 262 HB VAL 37 HB VAL 37 1.764 0.788 17.616 263 HG11 VAL 37 HG11 VAL 37 4.337 -0.763 17.395 264 HG12 VAL 37 HG12 VAL 37 3.202 -0.751 18.744 265 HG13 VAL 37 HG13 VAL 37 4.142 0.693 18.370 266 HG21 VAL 37 HG21 VAL 37 3.408 0.845 15.138 267 HG22 VAL 37 HG22 VAL 37 3.881 1.886 16.481 268 HG23 VAL 37 HG23 VAL 37 2.273 2.037 15.771 269 H HIS 38 HN HIS 38 2.357 -0.617 13.793 270 HA HIS 38 HA HIS 38 4.746 -2.324 13.847 271 HB2 HIS 38 HB2 HIS 38 2.848 -3.681 13.042 272 HB3 HIS 38 HB1 HIS 38 2.547 -2.496 11.775 273 HD1 HIS 38 HD1 HIS 38 4.402 -5.535 12.472 274 HD2 HIS 38 HD2 HIS 38 4.787 -2.313 9.877 275 HE1 HIS 38 HE1 HIS 38 5.996 -6.299 10.684 276 HE2 HIS 38 HE2 HIS 38 6.146 -4.364 9.079 277 H THR 39 HN THR 39 6.295 -1.882 12.232 278 HA THR 39 HA THR 39 5.924 0.714 10.886 279 HB THR 39 HB THR 39 8.628 -0.357 11.613 280 HG1 THR 39 HG1 THR 39 7.880 -0.317 13.606 281 HG21 THR 39 HG21 THR 39 8.580 1.608 10.204 282 HG22 THR 39 HG22 THR 39 9.199 2.008 11.806 283 HG23 THR 39 HG23 THR 39 7.546 2.438 11.367 284 H VAL 40 HN VAL 40 6.529 0.909 8.767 285 HA VAL 40 HA VAL 40 7.734 -1.420 7.453 286 HB VAL 40 HB VAL 40 5.304 -1.627 7.153 287 HG11 VAL 40 HG11 VAL 40 5.202 1.056 7.115 288 HG12 VAL 40 HG12 VAL 40 3.930 0.026 6.460 289 HG13 VAL 40 HG13 VAL 40 5.138 0.728 5.383 290 HG21 VAL 40 HG21 VAL 40 6.511 -2.568 5.389 291 HG22 VAL 40 HG22 VAL 40 7.001 -0.994 4.762 292 HG23 VAL 40 HG23 VAL 40 5.331 -1.532 4.587 293 H VAL 41 HN VAL 41 9.415 -0.811 6.272 294 HA VAL 41 HA VAL 41 10.184 1.852 5.891 295 HB VAL 41 HB VAL 41 11.079 -0.484 4.202 296 HG11 VAL 41 HG11 VAL 41 13.260 1.009 4.490 297 HG12 VAL 41 HG12 VAL 41 12.049 2.280 4.660 298 HG13 VAL 41 HG13 VAL 41 12.090 1.290 3.201 299 HG21 VAL 41 HG21 VAL 41 12.999 -0.305 6.052 300 HG22 VAL 41 HG22 VAL 41 11.600 -1.365 6.227 301 HG23 VAL 41 HG23 VAL 41 11.622 0.205 7.029 302 H LEU 42 HN LEU 42 9.779 3.331 4.358 303 HA LEU 42 HA LEU 42 7.742 2.771 2.399 304 HB2 LEU 42 HB2 LEU 42 9.271 5.240 3.173 305 HB3 LEU 42 HB1 LEU 42 8.199 5.221 1.786 306 HG LEU 42 HG LEU 42 7.414 4.733 4.659 307 HD11 LEU 42 HD11 LEU 42 6.256 6.808 4.523 308 HD12 LEU 42 HD12 LEU 42 6.598 6.954 2.799 309 HD13 LEU 42 HD13 LEU 42 7.908 7.088 3.973 310 HD21 LEU 42 HD21 LEU 42 6.013 3.336 3.391 311 HD22 LEU 42 HD22 LEU 42 5.861 4.524 2.096 312 HD23 LEU 42 HD23 LEU 42 5.081 4.810 3.651 313 H SER 43 HN SER 43 11.200 3.052 2.461 314 HA SER 43 HA SER 43 11.741 3.661 -0.203 315 HB2 SER 43 HB2 SER 43 13.287 3.211 1.954 316 HB3 SER 43 HB1 SER 43 13.513 1.676 1.115 317 HG SER 43 HG SER 43 14.781 3.864 0.623 318 H THR 44 HN THR 44 10.925 0.592 1.314 319 HA THR 44 HA THR 44 11.563 -1.122 -0.800 320 HB THR 44 HB THR 44 10.990 -1.881 1.481 321 HG1 THR 44 HG1 THR 44 10.754 -3.255 -0.432 322 HG21 THR 44 HG21 THR 44 8.725 -0.340 1.243 323 HG22 THR 44 HG22 THR 44 9.052 -1.533 2.500 324 HG23 THR 44 HG23 THR 44 8.124 -1.989 1.071 325 H ILE 45 HN ILE 45 8.846 1.004 -0.317 326 HA ILE 45 HA ILE 45 7.049 -0.127 -2.157 327 HB ILE 45 HB ILE 45 7.323 2.809 -1.509 328 HG12 ILE 45 HG12 ILE 45 7.173 1.562 0.568 329 HG13 ILE 45 HG11 ILE 45 5.634 2.360 0.260 330 HG21 ILE 45 HG21 ILE 45 4.891 2.835 -1.984 331 HG22 ILE 45 HG22 ILE 45 5.009 1.154 -2.504 332 HG23 ILE 45 HG23 ILE 45 5.873 2.412 -3.387 333 HD11 ILE 45 HD11 ILE 45 5.076 0.223 1.011 334 HD12 ILE 45 HD12 ILE 45 6.313 -0.546 0.017 335 HD13 ILE 45 HD13 ILE 45 4.879 0.147 -0.740 336 H ASP 46 HN ASP 46 6.504 0.554 -4.295 337 HA ASP 46 HA ASP 46 8.745 1.783 -5.763 338 HB2 ASP 46 HB2 ASP 46 8.315 -0.766 -6.053 339 HB3 ASP 46 HB1 ASP 46 6.932 -0.258 -7.017 340 H LYS 47 HN LYS 47 5.271 1.016 -5.994 341 HA LYS 47 HA LYS 47 4.868 3.660 -7.213 342 HB2 LYS 47 HB2 LYS 47 4.400 2.558 -9.125 343 HB3 LYS 47 HB1 LYS 47 4.236 1.014 -8.304 344 HG2 LYS 47 HG2 LYS 47 1.961 1.476 -7.744 345 HG3 LYS 47 HG1 LYS 47 2.102 3.135 -8.328 346 HD2 LYS 47 HD2 LYS 47 1.868 2.529 -10.489 347 HD3 LYS 47 HD1 LYS 47 2.808 1.050 -10.281 348 HE2 LYS 47 HE2 LYS 47 0.906 -0.050 -9.260 349 HE3 LYS 47 HE1 LYS 47 -0.034 1.439 -9.348 350 HZ1 LYS 47 HZ1 LYS 47 1.080 0.454 -11.851 351 HZ2 LYS 47 HZ2 LYS 47 -0.420 1.172 -11.542 352 HZ3 LYS 47 HZ3 LYS 47 -0.174 -0.461 -11.178 353 H LEU 48 HN LEU 48 2.724 4.547 -6.911 354 HA LEU 48 HA LEU 48 1.360 3.444 -4.542 355 HB2 LEU 48 HB2 LEU 48 1.747 6.335 -5.321 356 HB3 LEU 48 HB1 LEU 48 0.746 5.789 -3.989 357 HG LEU 48 HG LEU 48 3.599 4.943 -4.008 358 HD11 LEU 48 HD11 LEU 48 4.015 7.139 -2.703 359 HD12 LEU 48 HD12 LEU 48 2.632 7.744 -3.613 360 HD13 LEU 48 HD13 LEU 48 4.062 7.163 -4.465 361 HD21 LEU 48 HD21 LEU 48 2.271 6.030 -1.617 362 HD22 LEU 48 HD22 LEU 48 3.251 4.577 -1.813 363 HD23 LEU 48 HD23 LEU 48 1.553 4.566 -2.288 364 H GLN 49 HN GLN 49 -0.859 3.388 -4.537 365 HA GLN 49 HA GLN 49 -2.361 4.601 -6.698 366 HB2 GLN 49 HB2 GLN 49 -1.424 2.133 -7.227 367 HB3 GLN 49 HB1 GLN 49 -2.908 1.704 -6.389 368 HG2 GLN 49 HG2 GLN 49 -3.631 1.781 -8.554 369 HG3 GLN 49 HG1 GLN 49 -3.991 3.423 -8.022 370 HE21 GLN 49 HE21 GLN 49 -2.459 1.535 -10.324 371 HE22 GLN 49 HE22 GLN 49 -1.533 2.770 -11.100 372 H ALA 50 HN ALA 50 -4.703 4.365 -6.402 373 HA ALA 50 HA ALA 50 -5.640 3.384 -3.846 374 HB1 ALA 50 HB1 ALA 50 -4.702 5.848 -3.679 375 HB2 ALA 50 HB2 ALA 50 -6.157 5.353 -2.814 376 HB3 ALA 50 HB3 ALA 50 -6.293 6.242 -4.331 377 H THR 51 HN THR 51 -8.037 3.766 -3.610 378 HA THR 51 HA THR 51 -9.348 2.920 -5.985 379 HB THR 51 HB THR 51 -11.321 2.771 -4.667 380 HG1 THR 51 HG1 THR 51 -11.727 4.426 -3.459 381 HG21 THR 51 HG21 THR 51 -9.293 2.381 -2.518 382 HG22 THR 51 HG22 THR 51 -9.291 1.341 -3.942 383 HG23 THR 51 HG23 THR 51 -10.718 1.419 -2.908 384 HA PRO 52 HA PRO 52 -10.516 6.794 -7.750 385 HB2 PRO 52 HB2 PRO 52 -12.770 6.093 -9.074 386 HB3 PRO 52 HB1 PRO 52 -11.160 5.589 -9.603 387 HG2 PRO 52 HG2 PRO 52 -13.208 4.057 -8.046 388 HG3 PRO 52 HG1 PRO 52 -12.190 3.514 -9.392 389 HD2 PRO 52 HD2 PRO 52 -11.615 2.961 -6.798 390 HD3 PRO 52 HD1 PRO 52 -10.361 3.174 -8.036 391 H ALA 53 HN ALA 53 -12.261 8.400 -7.816 392 HA ALA 53 HA ALA 53 -13.446 8.779 -5.285 393 HB1 ALA 53 HB1 ALA 53 -14.012 10.178 -7.896 394 HB2 ALA 53 HB2 ALA 53 -12.813 10.652 -6.693 395 HB3 ALA 53 HB3 ALA 53 -14.531 10.733 -6.304 396 H SER 54 HN SER 54 -14.581 7.286 -8.213 397 HA SER 54 HA SER 54 -17.357 7.419 -7.695 398 HB2 SER 54 HB2 SER 54 -16.119 5.140 -9.206 399 HB3 SER 54 HB1 SER 54 -17.624 6.001 -9.527 400 HG SER 54 HG SER 54 -16.457 7.072 -10.905 401 H SER 55 HN SER 55 -14.824 5.293 -6.590 402 HA SER 55 HA SER 55 -16.350 3.112 -5.737 403 HB2 SER 55 HB2 SER 55 -13.705 4.257 -4.912 404 HB3 SER 55 HB1 SER 55 -14.416 2.948 -3.967 405 HG SER 55 HG SER 55 -14.115 2.801 -6.776 406 H GLU 56 HN GLU 56 -17.709 2.794 -4.091 407 HA GLU 56 HA GLU 56 -18.677 4.940 -2.549 408 HB2 GLU 56 HB2 GLU 56 -19.824 3.089 -1.228 409 HB3 GLU 56 HB1 GLU 56 -20.176 3.163 -2.949 410 HG2 GLU 56 HG2 GLU 56 -17.913 1.444 -2.260 411 HG3 GLU 56 HG1 GLU 56 -19.457 0.924 -1.586 412 H LYS 57 HN LYS 57 -16.243 2.501 -1.931 413 HA LYS 57 HA LYS 57 -15.836 3.616 0.763 414 HB2 LYS 57 HB2 LYS 57 -14.492 1.481 1.120 415 HB3 LYS 57 HB1 LYS 57 -16.235 1.301 0.980 416 HG2 LYS 57 HG2 LYS 57 -14.778 1.076 -1.554 417 HG3 LYS 57 HG1 LYS 57 -14.409 -0.179 -0.369 418 HD2 LYS 57 HD2 LYS 57 -17.266 0.435 -0.659 419 HD3 LYS 57 HD1 LYS 57 -16.509 -0.247 -2.100 420 HE2 LYS 57 HE2 LYS 57 -17.162 -2.154 -0.993 421 HE3 LYS 57 HE1 LYS 57 -15.510 -1.966 -0.407 422 HZ1 LYS 57 HZ1 LYS 57 -16.806 -0.563 1.420 423 HZ2 LYS 57 HZ2 LYS 57 -16.537 -2.226 1.569 424 HZ3 LYS 57 HZ3 LYS 57 -18.031 -1.659 1.015 425 H MET 58 HN MET 58 -14.089 4.812 1.114 426 HA MET 58 HA MET 58 -12.132 5.151 -0.980 427 HB2 MET 58 HB2 MET 58 -12.320 6.409 1.763 428 HB3 MET 58 HB1 MET 58 -11.190 6.886 0.503 429 HG2 MET 58 HG2 MET 58 -12.743 8.415 0.015 430 HG3 MET 58 HG1 MET 58 -13.533 7.083 -0.827 431 HE1 MET 58 HE1 MET 58 -13.711 7.427 3.389 432 HE2 MET 58 HE2 MET 58 -14.525 8.975 3.164 433 HE3 MET 58 HE3 MET 58 -12.931 8.706 2.458 434 H MET 59 HN MET 59 -10.239 4.145 -1.126 435 HA MET 59 HA MET 59 -8.852 3.231 1.251 436 HB2 MET 59 HB2 MET 59 -9.777 1.321 -0.900 437 HB3 MET 59 HB1 MET 59 -8.579 0.923 0.323 438 HG2 MET 59 HG2 MET 59 -10.473 1.684 1.969 439 HG3 MET 59 HG1 MET 59 -11.513 1.315 0.594 440 HE1 MET 59 HE1 MET 59 -11.156 -0.655 -0.804 441 HE2 MET 59 HE2 MET 59 -12.211 -1.662 0.187 442 HE3 MET 59 HE3 MET 59 -10.612 -2.247 -0.274 443 H LEU 60 HN LEU 60 -6.682 2.304 0.683 444 HA LEU 60 HA LEU 60 -5.661 3.394 -1.851 445 HB2 LEU 60 HB2 LEU 60 -5.188 4.559 0.578 446 HB3 LEU 60 HB1 LEU 60 -3.798 3.502 0.417 447 HG LEU 60 HG LEU 60 -3.818 4.683 -2.032 448 HD11 LEU 60 HD11 LEU 60 -4.407 6.983 -0.229 449 HD12 LEU 60 HD12 LEU 60 -5.737 6.126 -1.007 450 HD13 LEU 60 HD13 LEU 60 -4.481 6.882 -1.988 451 HD21 LEU 60 HD21 LEU 60 -1.807 5.472 -1.391 452 HD22 LEU 60 HD22 LEU 60 -2.116 4.509 0.054 453 HD23 LEU 60 HD23 LEU 60 -2.451 6.240 0.060 454 H ARG 61 HN ARG 61 -4.054 2.227 -2.850 455 HA ARG 61 HA ARG 61 -3.241 -0.279 -1.532 456 HB2 ARG 61 HB2 ARG 61 -4.899 -0.804 -3.225 457 HB3 ARG 61 HB1 ARG 61 -4.011 0.121 -4.427 458 HG2 ARG 61 HG2 ARG 61 -2.414 -1.494 -4.695 459 HG3 ARG 61 HG1 ARG 61 -2.627 -2.130 -3.064 460 HD2 ARG 61 HD2 ARG 61 -4.981 -2.816 -3.927 461 HD3 ARG 61 HD1 ARG 61 -4.255 -2.629 -5.523 462 HE ARG 61 HE ARG 61 -2.554 -4.225 -3.999 463 HH11 ARG 61 HH11 ARG 61 -5.775 -4.366 -5.336 464 HH12 ARG 61 HH12 ARG 61 -5.766 -6.090 -5.500 465 HH21 ARG 61 HH21 ARG 61 -2.541 -6.492 -4.214 466 HH22 ARG 61 HH22 ARG 61 -3.931 -7.297 -4.863 467 H LEU 62 HN LEU 62 -1.133 -0.321 -1.211 468 HA LEU 62 HA LEU 62 0.620 1.303 -2.899 469 HB2 LEU 62 HB2 LEU 62 0.612 0.472 -0.120 470 HB3 LEU 62 HB1 LEU 62 2.153 0.132 -0.885 471 HG LEU 62 HG LEU 62 1.787 2.667 -1.719 472 HD11 LEU 62 HD11 LEU 62 -0.050 3.455 -0.672 473 HD12 LEU 62 HD12 LEU 62 1.091 3.710 0.650 474 HD13 LEU 62 HD13 LEU 62 0.058 2.280 0.639 475 HD21 LEU 62 HD21 LEU 62 3.276 3.323 0.137 476 HD22 LEU 62 HD22 LEU 62 3.786 1.830 -0.653 477 HD23 LEU 62 HD23 LEU 62 2.964 1.766 0.906 478 H ILE 63 HN ILE 63 2.323 0.459 -4.055 479 HA ILE 63 HA ILE 63 2.402 -2.483 -4.256 480 HB ILE 63 HB ILE 63 3.215 -0.649 -6.494 481 HG12 ILE 63 HG12 ILE 63 0.882 -0.110 -5.931 482 HG13 ILE 63 HG11 ILE 63 0.986 -0.948 -7.476 483 HG21 ILE 63 HG21 ILE 63 2.728 -3.555 -6.131 484 HG22 ILE 63 HG22 ILE 63 3.985 -2.722 -7.046 485 HG23 ILE 63 HG23 ILE 63 2.350 -2.839 -7.698 486 HD11 ILE 63 HD11 ILE 63 0.167 -2.957 -6.540 487 HD12 ILE 63 HD12 ILE 63 -0.882 -1.660 -5.965 488 HD13 ILE 63 HD13 ILE 63 0.344 -2.343 -4.896 489 H GLY 64 HN GLY 64 4.365 -3.500 -4.256 490 HA2 GLY 64 HA2 GLY 64 6.635 -1.856 -3.415 491 HA3 GLY 64 HA1 GLY 64 6.504 -3.601 -3.257 492 H LYS 65 HN LYS 65 8.715 -3.549 -4.115 493 HA LYS 65 HA LYS 65 8.847 -3.058 -7.006 494 HB2 LYS 65 HB2 LYS 65 11.086 -3.537 -5.030 495 HB3 LYS 65 HB1 LYS 65 11.282 -3.141 -6.732 496 HG2 LYS 65 HG2 LYS 65 10.498 -0.952 -6.429 497 HG3 LYS 65 HG1 LYS 65 9.823 -1.327 -4.842 498 HD2 LYS 65 HD2 LYS 65 11.803 -1.059 -3.796 499 HD3 LYS 65 HD1 LYS 65 12.713 -1.800 -5.115 500 HE2 LYS 65 HE2 LYS 65 12.615 0.237 -6.393 501 HE3 LYS 65 HE1 LYS 65 11.551 0.981 -5.199 502 HZ1 LYS 65 HZ1 LYS 65 14.107 -0.008 -4.219 503 HZ2 LYS 65 HZ2 LYS 65 13.257 1.394 -3.804 504 HZ3 LYS 65 HZ3 LYS 65 14.170 1.349 -5.228 505 H VAL 66 HN VAL 66 10.254 -4.627 -8.242 506 HA VAL 66 HA VAL 66 9.275 -7.307 -7.732 507 HB VAL 66 HB VAL 66 10.320 -7.864 -9.911 508 HG11 VAL 66 HG11 VAL 66 8.919 -5.897 -11.136 509 HG12 VAL 66 HG12 VAL 66 8.251 -5.816 -9.505 510 HG13 VAL 66 HG13 VAL 66 8.192 -7.330 -10.408 511 HG21 VAL 66 HG21 VAL 66 10.920 -4.939 -10.230 512 HG22 VAL 66 HG22 VAL 66 11.446 -6.292 -11.232 513 HG23 VAL 66 HG23 VAL 66 12.124 -6.073 -9.619 514 H ASP 67 HN ASP 67 10.757 -9.180 -7.963 515 HA ASP 67 HA ASP 67 12.518 -10.413 -7.223 516 HB2 ASP 67 HB2 ASP 67 14.179 -7.927 -7.661 517 HB3 ASP 67 HB1 ASP 67 14.736 -9.597 -7.657 518 H GLU 68 HN GLU 68 12.310 -10.901 -5.130 519 HA GLU 68 HA GLU 68 12.806 -8.836 -3.116 520 HB2 GLU 68 HB2 GLU 68 11.341 -11.433 -3.144 521 HB3 GLU 68 HB1 GLU 68 12.008 -10.875 -1.616 522 HG2 GLU 68 HG2 GLU 68 10.528 -9.182 -1.427 523 HG3 GLU 68 HG1 GLU 68 10.456 -8.903 -3.166 524 H SER 69 HN SER 69 14.902 -10.308 -4.722 525 HA SER 69 HA SER 69 16.936 -11.289 -4.422 526 HB2 SER 69 HB2 SER 69 16.820 -10.223 -1.603 527 HB3 SER 69 HB1 SER 69 18.238 -10.444 -2.628 528 HG SER 69 HG SER 69 17.896 -8.384 -2.990 529 H LYS 70 HN LYS 70 14.557 -12.869 -3.724 530 HA LYS 70 HA LYS 70 15.930 -15.029 -2.396 531 HB2 LYS 70 HB2 LYS 70 13.424 -13.868 -1.166 532 HB3 LYS 70 HB1 LYS 70 14.227 -15.344 -0.650 533 HG2 LYS 70 HG2 LYS 70 16.252 -13.967 -0.146 534 HG3 LYS 70 HG1 LYS 70 15.277 -12.532 -0.469 535 HD2 LYS 70 HD2 LYS 70 14.518 -14.629 1.557 536 HD3 LYS 70 HD1 LYS 70 15.467 -13.195 1.955 537 HE2 LYS 70 HE2 LYS 70 12.732 -13.136 0.689 538 HE3 LYS 70 HE1 LYS 70 13.033 -12.960 2.417 539 HZ1 LYS 70 HZ1 LYS 70 12.991 -10.789 1.796 540 HZ2 LYS 70 HZ2 LYS 70 13.573 -11.087 0.236 541 HZ3 LYS 70 HZ3 LYS 70 14.638 -11.090 1.549 542 H LYS 71 HN LYS 71 12.829 -13.815 -3.621 543 HA LYS 71 HA LYS 71 11.269 -14.744 -4.993 544 HB2 LYS 71 HB2 LYS 71 13.372 -16.831 -5.591 545 HB3 LYS 71 HB1 LYS 71 11.952 -16.464 -6.561 546 HG2 LYS 71 HG2 LYS 71 12.941 -14.735 -7.571 547 HG3 LYS 71 HG1 LYS 71 13.673 -14.155 -6.074 548 HD2 LYS 71 HD2 LYS 71 15.535 -15.538 -6.305 549 HD3 LYS 71 HD1 LYS 71 14.713 -16.611 -7.440 550 HE2 LYS 71 HE2 LYS 71 15.188 -15.306 -9.219 551 HE3 LYS 71 HE1 LYS 71 14.978 -13.811 -8.309 552 HZ1 LYS 71 HZ1 LYS 71 17.143 -13.792 -7.659 553 HZ2 LYS 71 HZ2 LYS 71 17.326 -14.587 -9.141 554 HZ3 LYS 71 HZ3 LYS 71 17.308 -15.475 -7.702 555 H ARG 72 HN ARG 72 9.598 -16.214 -4.853 556 HA ARG 72 HA ARG 72 9.594 -17.856 -2.473 557 HB2 ARG 72 HB2 ARG 72 7.503 -17.076 -4.489 558 HB3 ARG 72 HB1 ARG 72 7.189 -18.320 -3.287 559 HG2 ARG 72 HG2 ARG 72 8.064 -15.521 -2.616 560 HG3 ARG 72 HG1 ARG 72 6.381 -16.050 -2.669 561 HD2 ARG 72 HD2 ARG 72 6.539 -17.178 -0.724 562 HD3 ARG 72 HD1 ARG 72 8.178 -17.734 -1.061 563 HE ARG 72 HE ARG 72 8.930 -16.026 0.236 564 HH11 ARG 72 HH11 ARG 72 5.786 -15.139 -0.992 565 HH12 ARG 72 HH12 ARG 72 5.731 -13.642 -0.123 566 HH21 ARG 72 HH21 ARG 72 8.859 -14.058 1.380 567 HH22 ARG 72 HH22 ARG 72 7.475 -13.028 1.223 568 H LYS 73 HN LYS 73 9.247 -20.079 -2.390 569 HA LYS 73 HA LYS 73 9.136 -21.628 -4.828 570 HB2 LYS 73 HB2 LYS 73 11.480 -22.043 -2.973 571 HB3 LYS 73 HB1 LYS 73 11.182 -22.832 -4.515 572 HG2 LYS 73 HG2 LYS 73 11.469 -20.669 -5.653 573 HG3 LYS 73 HG1 LYS 73 11.835 -19.922 -4.096 574 HD2 LYS 73 HD2 LYS 73 13.912 -20.813 -4.009 575 HD3 LYS 73 HD1 LYS 73 13.410 -22.323 -4.773 576 HE2 LYS 73 HE2 LYS 73 14.935 -21.140 -6.227 577 HE3 LYS 73 HE1 LYS 73 13.325 -21.165 -6.945 578 HZ1 LYS 73 HZ1 LYS 73 14.618 -18.891 -5.544 579 HZ2 LYS 73 HZ2 LYS 73 13.000 -18.899 -6.036 580 HZ3 LYS 73 HZ3 LYS 73 14.234 -18.990 -7.189 581 H ASP 74 HN ASP 74 7.699 -23.161 -4.427 582 HA ASP 74 HA ASP 74 6.668 -23.794 -1.922 583 HB2 ASP 74 HB2 ASP 74 6.613 -25.228 -4.566 584 HB3 ASP 74 HB1 ASP 74 5.844 -25.920 -3.141 585 H ASN 75 HN ASN 75 9.008 -25.624 -3.886 586 HA ASN 75 HA ASN 75 10.553 -26.452 -1.697 587 HB2 ASN 75 HB2 ASN 75 8.235 -27.828 -1.633 588 HB3 ASN 75 HB1 ASN 75 9.164 -28.869 -2.708 589 HD21 ASN 75 HD21 ASN 75 8.733 -27.739 0.502 590 HD22 ASN 75 HD22 ASN 75 9.924 -28.742 1.251 591 H GLU 76 HN GLU 76 9.377 -28.186 -4.583 592 HA GLU 76 HA GLU 76 11.728 -27.624 -6.096 593 HB2 GLU 76 HB2 GLU 76 12.198 -29.559 -4.288 594 HB3 GLU 76 HB1 GLU 76 11.529 -30.539 -5.585 595 HG2 GLU 76 HG2 GLU 76 13.211 -29.658 -7.121 596 HG3 GLU 76 HG1 GLU 76 13.883 -28.678 -5.819 597 H GLY 77 HN GLY 77 10.561 -27.168 -7.878 598 HA2 GLY 77 HA2 GLY 77 9.729 -29.067 -9.660 599 HA3 GLY 77 HA1 GLY 77 8.301 -28.742 -8.689 600 H ASN 78 HN ASN 78 9.079 -25.917 -8.301 601 HA ASN 78 HA ASN 78 9.311 -24.633 -10.802 602 HB2 ASN 78 HB2 ASN 78 6.588 -25.330 -9.871 603 HB3 ASN 78 HB1 ASN 78 6.808 -23.680 -10.446 604 HD21 ASN 78 HD21 ASN 78 6.007 -26.733 -11.347 605 HD22 ASN 78 HD22 ASN 78 6.332 -26.630 -13.041 606 H GLU 79 HN GLU 79 10.446 -22.939 -10.139 607 HA GLU 79 HA GLU 79 10.105 -21.793 -7.528 608 HB2 GLU 79 HB2 GLU 79 11.886 -20.237 -8.231 609 HB3 GLU 79 HB1 GLU 79 12.325 -21.918 -8.504 610 HG2 GLU 79 HG2 GLU 79 11.202 -21.242 -10.891 611 HG3 GLU 79 HG1 GLU 79 11.968 -19.730 -10.406 612 H VAL 80 HN VAL 80 8.600 -20.359 -7.020 613 HA VAL 80 HA VAL 80 6.977 -19.059 -8.948 614 HB VAL 80 HB VAL 80 7.251 -18.309 -6.038 615 HG11 VAL 80 HG11 VAL 80 5.886 -16.683 -6.827 616 HG12 VAL 80 HG12 VAL 80 4.667 -17.942 -6.627 617 HG13 VAL 80 HG13 VAL 80 5.369 -17.638 -8.217 618 HG21 VAL 80 HG21 VAL 80 5.634 -20.491 -7.337 619 HG22 VAL 80 HG22 VAL 80 5.298 -19.864 -5.723 620 HG23 VAL 80 HG23 VAL 80 6.840 -20.650 -6.060 621 H VAL 81 HN VAL 81 7.089 -17.072 -9.833 622 HA VAL 81 HA VAL 81 9.531 -15.656 -9.808 623 HB VAL 81 HB VAL 81 8.010 -15.619 -11.734 624 HG11 VAL 81 HG11 VAL 81 6.223 -13.595 -10.564 625 HG12 VAL 81 HG12 VAL 81 6.009 -15.238 -9.960 626 HG13 VAL 81 HG13 VAL 81 5.874 -14.909 -11.688 627 HG21 VAL 81 HG21 VAL 81 9.603 -13.863 -11.672 628 HG22 VAL 81 HG22 VAL 81 8.664 -12.960 -10.483 629 HG23 VAL 81 HG23 VAL 81 8.067 -13.130 -12.134 630 HA PRO 82 HA PRO 82 8.906 -13.147 -6.189 631 HB2 PRO 82 HB2 PRO 82 10.870 -11.338 -6.586 632 HB3 PRO 82 HB1 PRO 82 11.208 -13.009 -6.117 633 HG2 PRO 82 HG2 PRO 82 11.316 -11.746 -8.831 634 HG3 PRO 82 HG1 PRO 82 12.471 -12.856 -8.069 635 HD2 PRO 82 HD2 PRO 82 10.620 -13.675 -9.876 636 HD3 PRO 82 HD1 PRO 82 11.199 -14.713 -8.558 637 H LYS 83 HN LYS 83 6.860 -12.592 -7.688 638 HA LYS 83 HA LYS 83 6.699 -10.211 -9.100 639 HB2 LYS 83 HB2 LYS 83 4.252 -10.236 -8.345 640 HB3 LYS 83 HB1 LYS 83 4.837 -11.634 -9.237 641 HG2 LYS 83 HG2 LYS 83 4.932 -12.962 -7.294 642 HG3 LYS 83 HG1 LYS 83 4.752 -11.561 -6.237 643 HD2 LYS 83 HD2 LYS 83 2.482 -11.245 -7.436 644 HD3 LYS 83 HD1 LYS 83 2.695 -12.924 -7.937 645 HE2 LYS 83 HE2 LYS 83 2.741 -13.678 -5.686 646 HE3 LYS 83 HE1 LYS 83 2.874 -12.032 -5.068 647 HZ1 LYS 83 HZ1 LYS 83 0.647 -12.731 -4.766 648 HZ2 LYS 83 HZ2 LYS 83 0.517 -13.284 -6.359 649 HZ3 LYS 83 HZ3 LYS 83 0.631 -11.626 -6.048 650 HA PRO 84 HA PRO 84 7.014 -6.921 -6.190 651 HB2 PRO 84 HB2 PRO 84 5.139 -5.164 -7.089 652 HB3 PRO 84 HB1 PRO 84 6.683 -5.434 -7.906 653 HG2 PRO 84 HG2 PRO 84 3.982 -6.559 -8.539 654 HG3 PRO 84 HG1 PRO 84 5.215 -5.920 -9.642 655 HD2 PRO 84 HD2 PRO 84 4.857 -8.569 -9.260 656 HD3 PRO 84 HD1 PRO 84 6.455 -7.867 -9.585 657 H GLN 85 HN GLN 85 6.249 -6.425 -4.210 658 HA GLN 85 HA GLN 85 4.084 -7.814 -3.105 659 HB2 GLN 85 HB2 GLN 85 5.854 -5.594 -2.210 660 HB3 GLN 85 HB1 GLN 85 4.370 -5.867 -1.305 661 HG2 GLN 85 HG2 GLN 85 5.068 -7.871 -0.487 662 HG3 GLN 85 HG1 GLN 85 6.089 -8.212 -1.883 663 HE21 GLN 85 HE21 GLN 85 8.152 -8.255 -1.400 664 HE22 GLN 85 HE22 GLN 85 8.950 -7.277 -0.221 665 H ARG 86 HN ARG 86 2.459 -6.314 -1.687 666 HA ARG 86 HA ARG 86 1.376 -4.046 -2.995 667 HB2 ARG 86 HB2 ARG 86 0.427 -6.690 -3.837 668 HB3 ARG 86 HB1 ARG 86 -0.863 -5.608 -3.330 669 HG2 ARG 86 HG2 ARG 86 -0.663 -4.318 -5.145 670 HG3 ARG 86 HG1 ARG 86 1.101 -4.372 -5.112 671 HD2 ARG 86 HD2 ARG 86 0.864 -6.773 -5.953 672 HD3 ARG 86 HD1 ARG 86 -0.814 -6.358 -6.301 673 HE ARG 86 HE ARG 86 1.085 -4.512 -7.416 674 HH11 ARG 86 HH11 ARG 86 -0.612 -7.520 -7.921 675 HH12 ARG 86 HH12 ARG 86 -0.480 -7.449 -9.646 676 HH21 ARG 86 HH21 ARG 86 1.259 -4.418 -9.685 677 HH22 ARG 86 HH22 ARG 86 0.582 -5.688 -10.648 678 H HIS 87 HN HIS 87 1.027 -3.027 -1.103 679 HA HIS 87 HA HIS 87 -0.651 -4.400 0.896 680 HB2 HIS 87 HB2 HIS 87 1.356 -2.191 1.392 681 HB3 HIS 87 HB1 HIS 87 0.419 -3.045 2.613 682 HD1 HIS 87 HD1 HIS 87 0.937 -5.927 1.357 683 HD2 HIS 87 HD2 HIS 87 3.820 -3.081 2.283 684 HE1 HIS 87 HE1 HIS 87 3.074 -7.214 1.676 685 HE2 HIS 87 HE2 HIS 87 4.822 -5.463 2.151 686 H MET 88 HN MET 88 -2.636 -3.617 1.055 687 HA MET 88 HA MET 88 -3.084 -0.780 0.395 688 HB2 MET 88 HB2 MET 88 -5.452 -1.532 -0.155 689 HB3 MET 88 HB1 MET 88 -4.194 -2.015 -1.282 690 HG2 MET 88 HG2 MET 88 -5.529 -3.905 -1.030 691 HG3 MET 88 HG1 MET 88 -4.122 -4.216 -0.018 692 HE1 MET 88 HE1 MET 88 -7.318 -2.025 0.434 693 HE2 MET 88 HE2 MET 88 -8.277 -2.985 1.560 694 HE3 MET 88 HE3 MET 88 -8.010 -3.561 -0.085 695 H PHE 89 HN PHE 89 -4.593 0.379 1.636 696 HA PHE 89 HA PHE 89 -5.425 -0.898 4.151 697 HB2 PHE 89 HB2 PHE 89 -4.304 1.903 3.946 698 HB3 PHE 89 HB1 PHE 89 -4.784 1.062 5.416 699 HD1 PHE 89 HD1 PHE 89 -3.543 -1.248 5.790 700 HD2 PHE 89 HD2 PHE 89 -2.076 1.961 3.412 701 HE1 PHE 89 HE1 PHE 89 -1.254 -2.110 6.046 702 HE2 PHE 89 HE2 PHE 89 0.217 1.104 3.663 703 HZ PHE 89 HZ PHE 89 0.630 -0.934 4.982 704 H SER 90 HN SER 90 -7.130 0.364 5.297 705 HA SER 90 HA SER 90 -9.036 1.408 3.331 706 HB2 SER 90 HB2 SER 90 -9.389 0.286 6.113 707 HB3 SER 90 HB1 SER 90 -10.695 1.074 5.229 708 HG SER 90 HG SER 90 -10.951 -0.694 4.139 709 H PHE 91 HN PHE 91 -9.829 3.443 3.408 710 HA PHE 91 HA PHE 91 -9.021 5.147 5.668 711 HB2 PHE 91 HB2 PHE 91 -8.611 5.568 2.743 712 HB3 PHE 91 HB1 PHE 91 -8.971 6.973 3.741 713 HD1 PHE 91 HD1 PHE 91 -6.775 3.955 3.914 714 HD2 PHE 91 HD2 PHE 91 -7.161 8.155 4.482 715 HE1 PHE 91 HE1 PHE 91 -4.411 4.077 4.584 716 HE2 PHE 91 HE2 PHE 91 -4.798 8.285 5.152 717 HZ PHE 91 HZ PHE 91 -3.419 6.245 5.203 718 H ASN 92 HN ASN 92 -10.533 6.543 6.426 719 HA ASN 92 HA ASN 92 -13.176 6.428 5.141 720 HB2 ASN 92 HB2 ASN 92 -12.430 7.054 8.006 721 HB3 ASN 92 HB1 ASN 92 -14.070 7.072 7.365 722 HD21 ASN 92 HD21 ASN 92 -12.865 5.448 9.482 723 HD22 ASN 92 HD22 ASN 92 -13.129 3.804 9.022 724 H ASN 93 HN ASN 93 -11.092 8.204 4.249 725 HA ASN 93 HA ASN 93 -12.580 10.649 4.254 726 HB2 ASN 93 HB2 ASN 93 -10.115 10.387 5.919 727 HB3 ASN 93 HB1 ASN 93 -10.376 11.896 5.048 728 HD21 ASN 93 HD21 ASN 93 -11.043 10.164 7.826 729 HD22 ASN 93 HD22 ASN 93 -12.314 11.152 8.452 730 H ARG 94 HN ARG 94 -12.226 11.745 2.410 731 HA ARG 94 HA ARG 94 -10.347 10.641 0.514 732 HB2 ARG 94 HB2 ARG 94 -12.800 11.620 0.167 733 HB3 ARG 94 HB1 ARG 94 -11.901 13.109 -0.091 734 HG2 ARG 94 HG2 ARG 94 -11.031 12.408 -2.057 735 HG3 ARG 94 HG1 ARG 94 -10.951 10.721 -1.547 736 HD2 ARG 94 HD2 ARG 94 -13.030 10.259 -2.294 737 HD3 ARG 94 HD1 ARG 94 -13.661 11.838 -1.830 738 HE ARG 94 HE ARG 94 -12.594 11.078 -4.389 739 HH11 ARG 94 HH11 ARG 94 -13.226 13.748 -2.232 740 HH12 ARG 94 HH12 ARG 94 -13.276 14.924 -3.502 741 HH21 ARG 94 HH21 ARG 94 -12.660 12.624 -6.060 742 HH22 ARG 94 HH22 ARG 94 -12.955 14.286 -5.675 743 H THR 95 HN THR 95 -10.649 13.494 2.504 744 HA THR 95 HA THR 95 -8.568 14.964 1.193 745 HB THR 95 HB THR 95 -10.365 16.094 2.434 746 HG1 THR 95 HG1 THR 95 -8.189 17.005 2.251 747 HG21 THR 95 HG21 THR 95 -9.250 15.718 5.080 748 HG22 THR 95 HG22 THR 95 -9.941 14.237 4.417 749 HG23 THR 95 HG23 THR 95 -10.929 15.693 4.540 750 H VAL 96 HN VAL 96 -8.764 12.719 3.864 751 HA VAL 96 HA VAL 96 -6.131 13.254 4.863 752 HB VAL 96 HB VAL 96 -7.804 10.788 5.344 753 HG11 VAL 96 HG11 VAL 96 -5.398 11.989 6.654 754 HG12 VAL 96 HG12 VAL 96 -5.688 10.320 6.163 755 HG13 VAL 96 HG13 VAL 96 -6.508 10.978 7.579 756 HG21 VAL 96 HG21 VAL 96 -8.870 11.854 7.138 757 HG22 VAL 96 HG22 VAL 96 -8.928 13.033 5.828 758 HG23 VAL 96 HG23 VAL 96 -7.740 13.208 7.119 759 H MET 97 HN MET 97 -7.583 10.622 2.957 760 HA MET 97 HA MET 97 -5.252 9.109 2.621 761 HB2 MET 97 HB2 MET 97 -6.411 8.028 0.773 762 HB3 MET 97 HB1 MET 97 -7.509 8.263 2.126 763 HG2 MET 97 HG2 MET 97 -8.457 10.222 1.014 764 HG3 MET 97 HG1 MET 97 -7.361 9.976 -0.344 765 HE1 MET 97 HE1 MET 97 -7.644 6.503 -0.534 766 HE2 MET 97 HE2 MET 97 -7.193 7.819 -1.618 767 HE3 MET 97 HE3 MET 97 -8.564 6.783 -2.012 768 H ASP 98 HN ASP 98 -6.441 11.933 0.942 769 HA ASP 98 HA ASP 98 -4.766 11.771 -1.329 770 HB2 ASP 98 HB2 ASP 98 -6.428 13.874 -0.043 771 HB3 ASP 98 HB1 ASP 98 -5.174 14.414 -1.156 772 H ASN 99 HN ASN 99 -4.290 12.986 1.912 773 HA ASN 99 HA ASN 99 -1.872 14.402 1.330 774 HB2 ASN 99 HB2 ASN 99 -3.035 13.445 3.954 775 HB3 ASN 99 HB1 ASN 99 -1.626 14.491 3.809 776 HD21 ASN 99 HD21 ASN 99 -4.575 14.682 4.770 777 HD22 ASN 99 HD22 ASN 99 -5.078 16.209 4.139 778 H ILE 100 HN ILE 100 -2.682 11.118 2.068 779 HA ILE 100 HA ILE 100 -0.100 10.312 2.978 780 HB ILE 100 HB ILE 100 -2.281 8.593 1.789 781 HG12 ILE 100 HG12 ILE 100 -3.044 9.943 3.732 782 HG13 ILE 100 HG11 ILE 100 -3.040 8.214 4.061 783 HG21 ILE 100 HG21 ILE 100 -1.136 6.894 3.365 784 HG22 ILE 100 HG22 ILE 100 0.237 7.999 3.293 785 HG23 ILE 100 HG23 ILE 100 -0.382 7.264 1.814 786 HD11 ILE 100 HD11 ILE 100 -1.479 8.395 5.661 787 HD12 ILE 100 HD12 ILE 100 -2.018 10.074 5.712 788 HD13 ILE 100 HD13 ILE 100 -0.578 9.638 4.792 789 H LYS 101 HN LYS 101 -1.832 9.890 -0.107 790 HA LYS 101 HA LYS 101 0.299 8.659 -1.475 791 HB2 LYS 101 HB2 LYS 101 -2.134 10.164 -2.417 792 HB3 LYS 101 HB1 LYS 101 -0.973 9.475 -3.543 793 HG2 LYS 101 HG2 LYS 101 -1.411 7.305 -2.090 794 HG3 LYS 101 HG1 LYS 101 -2.940 8.131 -1.782 795 HD2 LYS 101 HD2 LYS 101 -1.863 7.781 -4.564 796 HD3 LYS 101 HD1 LYS 101 -2.831 6.531 -3.780 797 HE2 LYS 101 HE2 LYS 101 -4.728 7.877 -3.700 798 HE3 LYS 101 HE1 LYS 101 -3.799 9.362 -3.900 799 HZ1 LYS 101 HZ1 LYS 101 -3.235 8.152 -6.184 800 HZ2 LYS 101 HZ2 LYS 101 -4.572 9.171 -5.996 801 HZ3 LYS 101 HZ3 LYS 101 -4.769 7.494 -5.909 802 H MET 102 HN MET 102 -0.784 12.046 -1.404 803 HA MET 102 HA MET 102 1.126 13.071 -3.170 804 HB2 MET 102 HB2 MET 102 0.540 15.231 -2.351 805 HB3 MET 102 HB1 MET 102 -0.923 14.257 -2.307 806 HG2 MET 102 HG2 MET 102 -1.065 15.252 -0.277 807 HG3 MET 102 HG1 MET 102 -0.150 13.813 0.167 808 HE1 MET 102 HE1 MET 102 0.691 17.693 -1.070 809 HE2 MET 102 HE2 MET 102 0.990 18.116 0.616 810 HE3 MET 102 HE3 MET 102 -0.548 17.390 0.148 811 H THR 103 HN THR 103 1.285 12.398 0.271 812 HA THR 103 HA THR 103 3.892 13.621 0.554 813 HB THR 103 HB THR 103 2.274 11.952 2.490 814 HG1 THR 103 HG1 THR 103 2.642 14.760 2.356 815 HG21 THR 103 HG21 THR 103 4.955 12.603 2.694 816 HG22 THR 103 HG22 THR 103 3.880 12.108 4.002 817 HG23 THR 103 HG23 THR 103 4.129 13.821 3.666 818 H LEU 104 HN LEU 104 2.556 10.461 -0.019 819 HA LEU 104 HA LEU 104 4.975 9.046 0.640 820 HB2 LEU 104 HB2 LEU 104 2.292 8.329 -0.425 821 HB3 LEU 104 HB1 LEU 104 3.614 7.223 -0.746 822 HG LEU 104 HG LEU 104 2.859 8.147 2.024 823 HD11 LEU 104 HD11 LEU 104 1.156 6.735 0.605 824 HD12 LEU 104 HD12 LEU 104 1.473 6.350 2.297 825 HD13 LEU 104 HD13 LEU 104 2.249 5.414 1.020 826 HD21 LEU 104 HD21 LEU 104 4.325 5.634 1.421 827 HD22 LEU 104 HD22 LEU 104 4.429 6.697 2.824 828 HD23 LEU 104 HD23 LEU 104 5.204 7.159 1.308 829 H GLN 105 HN GLN 105 3.524 10.438 -2.209 830 HA GLN 105 HA GLN 105 5.172 9.081 -4.102 831 HB2 GLN 105 HB2 GLN 105 3.388 11.496 -4.228 832 HB3 GLN 105 HB1 GLN 105 4.401 11.050 -5.594 833 HG2 GLN 105 HG2 GLN 105 3.313 8.750 -5.429 834 HG3 GLN 105 HG1 GLN 105 2.129 9.523 -4.375 835 HE21 GLN 105 HE21 GLN 105 2.316 8.410 -7.289 836 HE22 GLN 105 HE22 GLN 105 1.435 9.590 -8.193 837 H GLN 106 HN GLN 106 5.469 12.004 -2.217 838 HA GLN 106 HA GLN 106 7.615 13.138 -3.706 839 HB2 GLN 106 HB2 GLN 106 7.862 14.670 -1.839 840 HB3 GLN 106 HB1 GLN 106 6.159 14.472 -2.229 841 HG2 GLN 106 HG2 GLN 106 5.678 13.481 -0.263 842 HG3 GLN 106 HG1 GLN 106 7.243 12.678 -0.155 843 HE21 GLN 106 HE21 GLN 106 7.445 13.287 2.012 844 HE22 GLN 106 HE22 GLN 106 7.842 14.905 2.469 845 H ILE 107 HN ILE 107 7.397 10.782 -1.155 846 HA ILE 107 HA ILE 107 10.114 10.918 -0.315 847 HB ILE 107 HB ILE 107 8.239 8.564 -0.069 848 HG12 ILE 107 HG12 ILE 107 8.687 10.566 2.113 849 HG13 ILE 107 HG11 ILE 107 7.525 10.929 0.841 850 HG21 ILE 107 HG21 ILE 107 10.151 7.639 0.674 851 HG22 ILE 107 HG22 ILE 107 9.788 8.543 2.144 852 HG23 ILE 107 HG23 ILE 107 10.919 9.200 0.962 853 HD11 ILE 107 HD11 ILE 107 6.696 8.478 1.480 854 HD12 ILE 107 HD12 ILE 107 6.120 9.933 2.293 855 HD13 ILE 107 HD13 ILE 107 7.392 8.957 3.028 856 H ILE 108 HN ILE 108 8.387 8.459 -2.247 857 HA ILE 108 HA ILE 108 10.655 7.011 -3.010 858 HB ILE 108 HB ILE 108 8.132 7.310 -4.640 859 HG12 ILE 108 HG12 ILE 108 8.373 4.968 -2.892 860 HG13 ILE 108 HG11 ILE 108 8.251 6.488 -2.012 861 HG21 ILE 108 HG21 ILE 108 9.967 4.935 -4.434 862 HG22 ILE 108 HG22 ILE 108 10.148 6.187 -5.663 863 HG23 ILE 108 HG23 ILE 108 8.676 5.218 -5.603 864 HD11 ILE 108 HD11 ILE 108 6.204 7.006 -3.309 865 HD12 ILE 108 HD12 ILE 108 6.064 5.573 -2.291 866 HD13 ILE 108 HD13 ILE 108 6.306 5.400 -4.030 867 H SER 109 HN SER 109 9.251 9.931 -4.305 868 HA SER 109 HA SER 109 10.521 9.935 -6.819 869 HB2 SER 109 HB2 SER 109 9.175 11.958 -5.105 870 HB3 SER 109 HB1 SER 109 10.239 12.565 -6.373 871 HG SER 109 HG SER 109 8.994 11.560 -7.895 872 H ARG 110 HN ARG 110 11.666 10.674 -3.632 873 HA ARG 110 HA ARG 110 14.024 12.060 -4.606 874 HB2 ARG 110 HB2 ARG 110 13.159 11.271 -1.820 875 HB3 ARG 110 HB1 ARG 110 14.630 12.163 -2.184 876 HG2 ARG 110 HG2 ARG 110 13.521 14.091 -2.627 877 HG3 ARG 110 HG1 ARG 110 12.088 13.259 -3.234 878 HD2 ARG 110 HD2 ARG 110 11.680 14.430 -1.101 879 HD3 ARG 110 HD1 ARG 110 11.416 12.690 -0.986 880 HE ARG 110 HE ARG 110 13.150 12.556 0.505 881 HH11 ARG 110 HH11 ARG 110 13.262 15.658 -1.090 882 HH12 ARG 110 HH12 ARG 110 14.494 16.289 -0.050 883 HH21 ARG 110 HH21 ARG 110 14.771 13.384 1.874 884 HH22 ARG 110 HH22 ARG 110 15.352 14.998 1.632 885 H TYR 111 HN TYR 111 13.092 8.877 -3.564 886 HA TYR 111 HA TYR 111 15.850 7.992 -3.310 887 HB2 TYR 111 HB2 TYR 111 13.337 6.325 -3.135 888 HB3 TYR 111 HB1 TYR 111 14.946 5.887 -2.573 889 HD1 TYR 111 HD1 TYR 111 15.402 8.808 -1.418 890 HD2 TYR 111 HD2 TYR 111 12.374 5.856 -0.943 891 HE1 TYR 111 HE1 TYR 111 14.871 9.718 0.803 892 HE2 TYR 111 HE2 TYR 111 11.835 6.760 1.278 893 HH TYR 111 HH TYR 111 13.492 8.305 3.090 894 H LYS 112 HN LYS 112 13.573 8.309 -5.788 895 HA LYS 112 HA LYS 112 14.507 6.035 -7.326 896 HB2 LYS 112 HB2 LYS 112 12.916 6.748 -9.011 897 HB3 LYS 112 HB1 LYS 112 12.141 6.740 -7.433 898 HG2 LYS 112 HG2 LYS 112 12.277 9.126 -7.284 899 HG3 LYS 112 HG1 LYS 112 13.247 9.206 -8.756 900 HD2 LYS 112 HD2 LYS 112 10.928 9.808 -9.209 901 HD3 LYS 112 HD1 LYS 112 11.363 8.314 -10.043 902 HE2 LYS 112 HE2 LYS 112 10.214 8.011 -7.341 903 HE3 LYS 112 HE1 LYS 112 9.120 8.615 -8.585 904 HZ1 LYS 112 HZ1 LYS 112 9.038 6.214 -8.452 905 HZ2 LYS 112 HZ2 LYS 112 10.703 6.106 -8.733 906 HZ3 LYS 112 HZ3 LYS 112 9.677 6.689 -9.945 907 H ASP 113 HN ASP 113 15.050 9.473 -7.113 908 HA ASP 113 HA ASP 113 16.771 9.387 -9.490 909 HB2 ASP 113 HB2 ASP 113 15.279 11.539 -8.078 910 HB3 ASP 113 HB1 ASP 113 16.799 11.986 -8.848 911 H ALA 114 HN ALA 114 16.788 9.895 -6.034 912 HA ALA 114 HA ALA 114 19.664 10.470 -6.091 913 HB1 ALA 114 HB1 ALA 114 19.429 11.605 -4.147 914 HB2 ALA 114 HB2 ALA 114 18.203 10.501 -3.522 915 HB3 ALA 114 HB3 ALA 114 17.759 11.736 -4.700 916 H ASP 115 HN ASP 115 18.565 7.814 -6.626 917 HA ASP 115 HA ASP 115 20.346 6.270 -5.104 918 HB2 ASP 115 HB2 ASP 115 17.633 6.579 -3.997 919 HB3 ASP 115 HB1 ASP 115 18.180 4.911 -4.140 920 H1 ASP 453 HN ASP 453 -15.333 -15.456 -5.888 921 HA ASP 453 HA ASP 453 -14.431 -13.392 -7.773 922 HB2 ASP 453 HB2 ASP 453 -17.123 -14.036 -6.585 923 HB3 ASP 453 HB1 ASP 453 -16.803 -12.486 -7.357 924 H LEU 454 HN LEU 454 -12.794 -12.681 -6.252 925 HA LEU 454 HA LEU 454 -13.849 -10.652 -4.463 926 HB2 LEU 454 HB2 LEU 454 -13.370 -12.979 -3.287 927 HB3 LEU 454 HB1 LEU 454 -11.719 -12.390 -3.315 928 HG LEU 454 HG LEU 454 -13.895 -10.666 -2.193 929 HD11 LEU 454 HD11 LEU 454 -12.372 -12.407 -0.344 930 HD12 LEU 454 HD12 LEU 454 -13.707 -13.139 -1.234 931 HD13 LEU 454 HD13 LEU 454 -13.999 -11.742 -0.198 932 HD21 LEU 454 HD21 LEU 454 -10.920 -10.909 -1.885 933 HD22 LEU 454 HD22 LEU 454 -11.906 -10.029 -0.717 934 HD23 LEU 454 HD23 LEU 454 -11.869 -9.516 -2.404 935 H ASP 455 HN ASP 455 -10.786 -12.286 -5.293 936 HA ASP 455 HA ASP 455 -9.158 -10.023 -5.026 937 HB2 ASP 455 HB2 ASP 455 -7.507 -11.289 -6.363 938 HB3 ASP 455 HB1 ASP 455 -8.227 -12.272 -5.092 939 H GLU 456 HN GLU 456 -11.051 -11.217 -7.728 940 HA GLU 456 HA GLU 456 -9.934 -9.521 -9.706 941 HB2 GLU 456 HB2 GLU 456 -11.905 -10.112 -11.041 942 HB3 GLU 456 HB1 GLU 456 -11.189 -11.533 -10.294 943 HG2 GLU 456 HG2 GLU 456 -12.954 -11.086 -8.426 944 HG3 GLU 456 HG1 GLU 456 -13.771 -10.176 -9.696 945 H SER 457 HN SER 457 -12.603 -9.181 -7.441 946 HA SER 457 HA SER 457 -13.431 -6.645 -8.558 947 HB2 SER 457 HB2 SER 457 -15.097 -8.183 -7.587 948 HB3 SER 457 HB1 SER 457 -14.312 -8.035 -6.015 949 HG SER 457 HG SER 457 -15.500 -6.340 -5.732 950 H TRP 458 HN TRP 458 -11.511 -7.815 -5.875 951 HA TRP 458 HA TRP 458 -11.307 -5.240 -4.607 952 HB2 TRP 458 HB2 TRP 458 -10.902 -7.827 -3.767 953 HB3 TRP 458 HB1 TRP 458 -9.256 -7.221 -3.919 954 HD1 TRP 458 HD1 TRP 458 -8.553 -6.735 -1.493 955 HE1 TRP 458 HE1 TRP 458 -9.513 -5.338 0.443 956 HE3 TRP 458 HE3 TRP 458 -13.042 -5.442 -3.571 957 HZ2 TRP 458 HZ2 TRP 458 -11.862 -3.881 1.015 958 HZ3 TRP 458 HZ3 TRP 458 -14.588 -4.045 -2.263 959 HH2 TRP 458 HH2 TRP 458 -14.009 -3.281 -0.018 960 H ASP 459 HN ASP 459 -9.519 -7.051 -6.982 961 HA ASP 459 HA ASP 459 -7.141 -5.452 -6.804 962 HB2 ASP 459 HB2 ASP 459 -7.092 -7.797 -7.588 963 HB3 ASP 459 HB1 ASP 459 -8.038 -7.332 -8.999 964 H TYR 460 HN TYR 460 -10.099 -5.390 -8.659 965 HA TYR 460 HA TYR 460 -9.200 -3.553 -10.642 966 HB2 TYR 460 HB2 TYR 460 -11.397 -5.149 -10.379 967 HB3 TYR 460 HB1 TYR 460 -12.080 -3.567 -10.019 968 HD1 TYR 460 HD2 TYR 460 -9.881 -5.235 -12.537 969 HD2 TYR 460 HD1 TYR 460 -12.834 -2.268 -11.779 970 HE1 TYR 460 HE2 TYR 460 -10.006 -4.752 -14.945 971 HE2 TYR 460 HE1 TYR 460 -12.968 -1.777 -14.184 972 HH TYR 460 HH TYR 460 -10.689 -2.767 -16.392 973 H ILE 461 HN ILE 461 -10.959 -3.215 -7.590 974 HA ILE 461 HA ILE 461 -11.559 -0.494 -7.754 975 HB ILE 461 HB ILE 461 -12.530 -1.945 -6.048 976 HG12 ILE 461 HG12 ILE 461 -10.929 0.346 -4.885 977 HG13 ILE 461 HG11 ILE 461 -12.512 0.471 -5.645 978 HG21 ILE 461 HG21 ILE 461 -10.983 -2.308 -3.973 979 HG22 ILE 461 HG22 ILE 461 -9.691 -2.173 -5.166 980 HG23 ILE 461 HG23 ILE 461 -10.923 -3.424 -5.337 981 HD11 ILE 461 HD11 ILE 461 -12.895 0.544 -3.333 982 HD12 ILE 461 HD12 ILE 461 -11.801 -0.805 -3.026 983 HD13 ILE 461 HD13 ILE 461 -13.344 -1.087 -3.833 984 H PHE 462 HN PHE 462 -8.562 -2.110 -7.053 985 HA PHE 462 HA PHE 462 -7.333 0.435 -6.252 986 HB2 PHE 462 HB2 PHE 462 -6.330 -2.405 -5.981 987 HB3 PHE 462 HB1 PHE 462 -5.427 -0.973 -5.494 988 HD1 PHE 462 HD1 PHE 462 -7.055 0.688 -4.017 989 HD2 PHE 462 HD2 PHE 462 -7.251 -3.557 -4.238 990 HE1 PHE 462 HE1 PHE 462 -8.148 0.628 -1.815 991 HE2 PHE 462 HE2 PHE 462 -8.346 -3.625 -2.036 992 HZ PHE 462 HZ PHE 462 -8.796 -1.530 -0.821 993 H GLU 463 HN GLU 463 -7.299 -2.049 -8.699 994 HA GLU 463 HA GLU 463 -4.858 -1.427 -9.941 995 HB2 GLU 463 HB2 GLU 463 -7.361 -2.813 -10.764 996 HB3 GLU 463 HB1 GLU 463 -6.250 -2.318 -12.032 997 HG2 GLU 463 HG2 GLU 463 -5.257 -3.861 -9.675 998 HG3 GLU 463 HG1 GLU 463 -6.056 -4.683 -11.015 999 H THR 464 HN THR 464 -8.124 -0.153 -10.430 1000 HA THR 464 HA THR 464 -7.590 1.448 -12.663 1001 HB THR 464 HB THR 464 -9.540 2.862 -11.519 1002 HG1 THR 464 HG1 THR 464 -9.640 1.931 -9.556 1003 HG21 THR 464 HG21 THR 464 -9.486 0.877 -13.404 1004 HG22 THR 464 HG22 THR 464 -10.894 1.837 -12.949 1005 HG23 THR 464 HG23 THR 464 -10.626 0.259 -12.210 1006 H THR 465 HN THR 465 -7.920 3.963 -12.456 1007 HA THR 465 HA THR 465 -6.182 4.988 -10.317 1008 HB THR 465 HB THR 465 -5.420 6.626 -12.263 1009 HG1 THR 465 HG1 THR 465 -6.452 5.861 -13.991 1010 HG21 THR 465 HG21 THR 465 -3.571 4.990 -12.849 1011 HG22 THR 465 HG22 THR 465 -4.348 3.882 -11.718 1012 HG23 THR 465 HG23 THR 465 -3.743 5.439 -11.152
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