NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494280 | 2l79 | 17347 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -1.331 17.620 -15.217 2 H2 GLY 1 HT2 GLY 1 -1.813 15.960 -14.966 3 H3 GLY 1 HT3 GLY 1 -0.393 16.588 -14.165 4 HA2 GLY 1 HA1 GLY 1 -1.759 18.110 -12.928 5 HA3 GLY 1 HA2 GLY 1 -3.186 17.476 -13.734 6 H ILE 2 HN ILE 2 -0.327 16.121 -12.082 7 HA ILE 2 HA ILE 2 -1.522 13.774 -11.206 8 HB ILE 2 HB ILE 2 0.896 14.158 -11.094 9 HG12 ILE 2 1HG1 ILE 2 1.278 13.220 -8.792 10 HG13 ILE 2 2HG1 ILE 2 -0.447 13.510 -8.458 11 HG21 ILE 2 1HG2 ILE 2 1.866 15.498 -9.275 12 HG22 ILE 2 2HG2 ILE 2 0.229 16.009 -8.796 13 HG23 ILE 2 3HG2 ILE 2 0.883 16.486 -10.381 14 HD11 ILE 2 3HD1 ILE 2 -1.056 11.984 -10.280 15 HD12 ILE 2 1HD1 ILE 2 -0.037 11.176 -9.064 16 HD13 ILE 2 2HD1 ILE 2 0.668 11.694 -10.613 17 H HIS 3 HN HIS 3 -1.705 17.003 -9.902 18 HA HIS 3 HA HIS 3 -2.888 16.163 -7.407 19 HB2 HIS 3 HB1 HIS 3 -1.444 18.241 -7.768 20 HB3 HIS 3 HB2 HIS 3 -2.881 18.962 -8.533 21 HD1 HIS 3 HD1 HIS 3 -2.898 20.740 -6.583 22 HD2 HIS 3 HD2 HIS 3 -3.555 16.821 -5.374 23 HE1 HIS 3 HE1 HIS 3 -3.812 20.902 -4.246 24 H LYS 4 HN LYS 4 -4.961 15.713 -7.102 25 HA LYS 4 HA LYS 4 -6.898 16.560 -9.145 26 HB2 LYS 4 HB1 LYS 4 -6.746 14.212 -7.283 27 HB3 LYS 4 HB2 LYS 4 -8.327 14.753 -7.896 28 HG2 LYS 4 HG1 LYS 4 -7.800 13.191 -9.476 29 HG3 LYS 4 HG2 LYS 4 -7.081 14.637 -10.224 30 HD2 LYS 4 HD1 LYS 4 -4.909 13.994 -9.071 31 HD3 LYS 4 HD2 LYS 4 -5.683 12.439 -8.682 32 HE2 LYS 4 HE1 LYS 4 -6.201 12.324 -11.224 33 HE3 LYS 4 HE2 LYS 4 -4.946 13.578 -11.375 34 HZ1 LYS 4 HZ1 LYS 4 -4.689 10.756 -10.694 35 HZ2 LYS 4 HZ2 LYS 4 -3.682 11.815 -9.844 36 HZ3 LYS 4 HZ3 LYS 4 -3.629 11.772 -11.533 37 H GLN 5 HN GLN 5 -9.209 16.746 -8.174 38 HA GLN 5 HA GLN 5 -9.175 18.939 -6.371 39 HB2 GLN 5 HB1 GLN 5 -11.507 17.245 -7.301 40 HB3 GLN 5 HB2 GLN 5 -11.626 18.827 -6.493 41 HG2 GLN 5 HG1 GLN 5 -10.127 18.476 -9.083 42 HG3 GLN 5 HG2 GLN 5 -11.887 18.740 -9.045 43 HE21 GLN 5 1HE2 GLN 5 -8.799 20.170 -8.834 44 HE22 GLN 5 2HE2 GLN 5 -9.311 21.793 -8.537 45 H LYS 6 HN LYS 6 -10.337 19.054 -4.324 46 HA LYS 6 HA LYS 6 -10.375 16.500 -2.862 47 HB2 LYS 6 HB1 LYS 6 -9.416 17.593 -0.905 48 HB3 LYS 6 HB2 LYS 6 -8.323 17.731 -2.303 49 HG2 LYS 6 HG1 LYS 6 -10.245 19.957 -1.799 50 HG3 LYS 6 HG2 LYS 6 -8.848 19.789 -0.708 51 HD2 LYS 6 HD1 LYS 6 -7.327 20.279 -2.350 52 HD3 LYS 6 HD2 LYS 6 -8.354 19.626 -3.649 53 HE2 LYS 6 HE1 LYS 6 -9.044 22.155 -2.138 54 HE3 LYS 6 HE2 LYS 6 -8.032 22.157 -3.603 55 HZ1 LYS 6 HZ1 LYS 6 -9.904 20.997 -4.739 56 HZ2 LYS 6 HZ2 LYS 6 -10.262 22.576 -4.250 57 HZ3 LYS 6 HZ3 LYS 6 -10.857 21.262 -3.366 58 H GLU 7 HN GLU 7 -11.785 16.442 -1.017 59 HA GLU 7 HA GLU 7 -13.925 18.466 -1.133 60 HB2 GLU 7 HB1 GLU 7 -14.596 16.257 -2.049 61 HB3 GLU 7 HB2 GLU 7 -14.224 15.527 -0.468 62 HG2 GLU 7 HG1 GLU 7 -16.048 16.490 0.560 63 HG3 GLU 7 HG2 GLU 7 -16.157 17.810 -0.629 64 H LYS 8 HN LYS 8 -12.038 16.299 0.897 65 HA LYS 8 HA LYS 8 -13.093 17.636 3.292 66 HB2 LYS 8 HB1 LYS 8 -12.319 15.762 4.571 67 HB3 LYS 8 HB2 LYS 8 -13.221 15.141 3.168 68 HG2 LYS 8 HG1 LYS 8 -11.106 14.678 2.015 69 HG3 LYS 8 HG2 LYS 8 -10.205 15.296 3.420 70 HD2 LYS 8 HD1 LYS 8 -12.228 13.123 3.832 71 HD3 LYS 8 HD2 LYS 8 -10.653 12.710 3.112 72 HE2 LYS 8 HE1 LYS 8 -10.243 12.409 5.373 73 HE3 LYS 8 HE2 LYS 8 -9.680 14.078 5.114 74 HZ1 LYS 8 HZ1 LYS 8 -11.144 14.786 6.595 75 HZ2 LYS 8 HZ2 LYS 8 -11.603 13.190 6.916 76 HZ3 LYS 8 HZ3 LYS 8 -12.432 14.090 5.746 77 H SER 9 HN SER 9 -11.325 17.669 5.115 78 HA SER 9 HA SER 9 -9.346 19.514 4.274 79 HB2 SER 9 HB1 SER 9 -9.887 18.079 6.875 80 HB3 SER 9 HB2 SER 9 -8.474 19.144 6.677 81 HG SER 9 HG SER 9 -10.553 20.085 7.502 82 H ARG 10 HN ARG 10 -7.026 19.297 4.544 83 HA ARG 10 HA ARG 10 -5.726 16.829 4.907 84 HB2 ARG 10 HB1 ARG 10 -6.969 16.620 2.607 85 HB3 ARG 10 HB2 ARG 10 -5.626 17.629 2.017 86 HG2 ARG 10 HG1 ARG 10 -4.837 15.504 1.597 87 HG3 ARG 10 HG2 ARG 10 -4.130 15.840 3.196 88 HD2 ARG 10 HD1 ARG 10 -5.011 13.650 3.335 89 HD3 ARG 10 HD2 ARG 10 -6.175 14.693 4.187 90 HE ARG 10 HE ARG 10 -7.099 14.549 1.608 91 HH11 ARG 10 1HH1 ARG 10 -6.333 12.250 4.108 92 HH12 ARG 10 2HH1 ARG 10 -7.513 11.094 3.586 93 HH21 ARG 10 1HH2 ARG 10 -8.656 13.035 0.912 94 HH22 ARG 10 2HH2 ARG 10 -8.832 11.540 1.768 95 H LEU 11 HN LEU 11 -3.900 17.540 5.774 96 HA LEU 11 HA LEU 11 -2.669 19.983 4.703 97 HB2 LEU 11 HB1 LEU 11 -2.580 18.623 7.379 98 HB3 LEU 11 HB2 LEU 11 -1.307 19.772 6.899 99 HG LEU 11 HG LEU 11 -4.217 20.543 6.867 100 HD11 LEU 11 1HD1 LEU 11 -3.917 21.484 9.108 101 HD12 LEU 11 2HD1 LEU 11 -2.298 20.750 9.195 102 HD13 LEU 11 3HD1 LEU 11 -3.742 19.713 9.112 103 HD21 LEU 11 3HD2 LEU 11 -1.644 22.113 7.126 104 HD22 LEU 11 1HD2 LEU 11 -3.287 22.797 7.117 105 HD23 LEU 11 2HD2 LEU 11 -2.654 21.984 5.666 106 H GLN 12 HN GLN 12 -0.279 20.048 4.683 107 HA GLN 12 HA GLN 12 0.846 18.157 3.052 108 HB2 GLN 12 HB1 GLN 12 1.970 20.189 4.930 109 HB3 GLN 12 HB2 GLN 12 3.080 18.988 4.226 110 HG2 GLN 12 HG1 GLN 12 1.877 19.736 1.982 111 HG3 GLN 12 HG2 GLN 12 1.584 21.217 2.925 112 HE21 GLN 12 1HE2 GLN 12 2.943 22.268 1.369 113 HE22 GLN 12 2HE2 GLN 12 4.662 22.180 1.516 114 H GLY 13 HN GLY 13 1.385 18.393 6.575 115 HA2 GLY 13 HA1 GLY 13 2.933 16.162 6.961 116 HA3 GLY 13 HA2 GLY 13 1.763 16.744 8.137 117 H GLY 14 HN GLY 14 -0.527 16.280 6.379 118 HA2 GLY 14 HA1 GLY 14 -1.365 13.809 7.225 119 HA3 GLY 14 HA2 GLY 14 -1.983 14.601 5.782 120 H VAL 15 HN VAL 15 0.591 14.547 4.407 121 HA VAL 15 HA VAL 15 0.354 12.271 2.898 122 HB VAL 15 HB VAL 15 2.646 12.627 2.132 123 HG11 VAL 15 1HG1 VAL 15 2.426 14.961 1.392 124 HG12 VAL 15 2HG1 VAL 15 1.144 15.213 2.600 125 HG13 VAL 15 3HG1 VAL 15 0.889 14.075 1.255 126 HG21 VAL 15 3HG2 VAL 15 2.844 14.591 4.427 127 HG22 VAL 15 1HG2 VAL 15 4.060 14.363 3.148 128 HG23 VAL 15 2HG2 VAL 15 3.711 13.043 4.289 129 H LEU 16 HN LEU 16 2.010 12.670 5.954 130 HA LEU 16 HA LEU 16 3.670 10.494 6.055 131 HB2 LEU 16 HB1 LEU 16 3.143 12.303 7.826 132 HB3 LEU 16 HB2 LEU 16 1.889 11.167 8.380 133 HG LEU 16 HG LEU 16 3.624 9.488 8.824 134 HD11 LEU 16 1HD1 LEU 16 5.993 10.104 8.746 135 HD12 LEU 16 2HD1 LEU 16 5.559 11.668 8.017 136 HD13 LEU 16 3HD1 LEU 16 5.249 10.156 7.131 137 HD21 LEU 16 3HD2 LEU 16 4.162 12.176 10.107 138 HD22 LEU 16 1HD2 LEU 16 4.650 10.593 10.757 139 HD23 LEU 16 2HD2 LEU 16 2.924 11.001 10.610 140 H VAL 17 HN VAL 17 0.175 10.554 6.272 141 HA VAL 17 HA VAL 17 -0.425 8.097 7.326 142 HB VAL 17 HB VAL 17 -2.465 8.099 5.983 143 HG11 VAL 17 1HG1 VAL 17 -3.346 10.295 6.652 144 HG12 VAL 17 2HG1 VAL 17 -1.683 10.862 6.940 145 HG13 VAL 17 3HG1 VAL 17 -2.363 9.554 7.937 146 HG21 VAL 17 3HG2 VAL 17 -1.168 10.375 4.465 147 HG22 VAL 17 1HG2 VAL 17 -2.851 9.828 4.276 148 HG23 VAL 17 2HG2 VAL 17 -1.509 8.746 3.833 149 H ASN 18 HN ASN 18 0.846 8.828 4.144 150 HA ASN 18 HA ASN 18 0.345 6.523 2.744 151 HB2 ASN 18 HB1 ASN 18 2.538 8.531 2.739 152 HB3 ASN 18 HB2 ASN 18 2.859 6.994 1.900 153 HD21 ASN 18 1HD2 ASN 18 0.391 9.538 2.167 154 HD22 ASN 18 2HD2 ASN 18 -0.065 9.509 0.501 155 H GLU 19 HN GLU 19 2.641 7.027 5.340 156 HA GLU 19 HA GLU 19 4.323 4.877 5.100 157 HB2 GLU 19 HB1 GLU 19 4.871 5.167 7.322 158 HB3 GLU 19 HB2 GLU 19 4.130 6.738 6.933 159 HG2 GLU 19 HG1 GLU 19 1.940 5.654 7.793 160 HG3 GLU 19 HG2 GLU 19 3.021 4.456 8.546 161 H ILE 20 HN ILE 20 0.949 4.874 5.902 162 HA ILE 20 HA ILE 20 0.563 2.522 7.240 163 HB ILE 20 HB ILE 20 -1.274 4.022 6.653 164 HG12 ILE 20 1HG1 ILE 20 -2.583 1.875 5.401 165 HG13 ILE 20 2HG1 ILE 20 -1.303 1.138 6.395 166 HG21 ILE 20 1HG2 ILE 20 -2.265 3.980 4.404 167 HG22 ILE 20 2HG2 ILE 20 -0.937 2.932 3.852 168 HG23 ILE 20 3HG2 ILE 20 -0.595 4.596 4.385 169 HD11 ILE 20 3HD1 ILE 20 -2.150 2.328 8.366 170 HD12 ILE 20 1HD1 ILE 20 -3.406 1.304 7.631 171 HD13 ILE 20 2HD1 ILE 20 -3.429 3.064 7.372 172 H LEU 21 HN LEU 21 1.128 2.942 3.774 173 HA LEU 21 HA LEU 21 0.635 0.404 2.842 174 HB2 LEU 21 HB1 LEU 21 2.248 0.856 1.069 175 HB3 LEU 21 HB2 LEU 21 1.218 2.271 1.393 176 HG LEU 21 HG LEU 21 3.332 2.885 2.941 177 HD11 LEU 21 1HD1 LEU 21 5.399 2.350 1.739 178 HD12 LEU 21 2HD1 LEU 21 4.477 1.321 0.619 179 HD13 LEU 21 3HD1 LEU 21 4.591 0.883 2.340 180 HD21 LEU 21 3HD2 LEU 21 3.103 3.385 -0.035 181 HD22 LEU 21 1HD2 LEU 21 4.076 4.337 1.110 182 HD23 LEU 21 2HD2 LEU 21 2.302 4.319 1.251 183 H ASN 22 HN ASN 22 3.605 1.619 4.354 184 HA ASN 22 HA ASN 22 5.248 -0.571 4.048 185 HB2 ASN 22 HB1 ASN 22 5.181 1.782 5.684 186 HB3 ASN 22 HB2 ASN 22 5.654 0.394 6.693 187 HD21 ASN 22 1HD2 ASN 22 6.771 2.770 4.680 188 HD22 ASN 22 2HD2 ASN 22 8.301 2.089 4.258 189 H HIS 23 HN HIS 23 3.395 0.086 7.027 190 HA HIS 23 HA HIS 23 3.738 -2.375 8.230 191 HB2 HIS 23 HB1 HIS 23 2.416 -1.523 9.819 192 HB3 HIS 23 HB2 HIS 23 2.337 -0.063 8.803 193 HD1 HIS 23 HD1 HIS 23 0.125 0.422 7.617 194 HD2 HIS 23 HD2 HIS 23 0.107 -3.172 9.699 195 HE1 HIS 23 HE1 HIS 23 -2.276 -0.325 7.649 196 H MET 24 HN MET 24 1.306 -1.390 5.867 197 HA MET 24 HA MET 24 -0.403 -3.548 5.938 198 HB2 MET 24 HB1 MET 24 0.208 -1.417 4.116 199 HB3 MET 24 HB2 MET 24 -0.024 -2.925 3.199 200 HG2 MET 24 HG1 MET 24 -2.039 -2.433 5.288 201 HG3 MET 24 HG2 MET 24 -2.016 -1.230 3.976 202 HE1 MET 24 HE1 MET 24 -5.013 -3.763 3.193 203 HE2 MET 24 HE2 MET 24 -4.605 -2.080 3.607 204 HE3 MET 24 HE3 MET 24 -4.401 -3.369 4.817 205 H LYS 25 HN LYS 25 2.822 -3.351 4.619 206 HA LYS 25 HA LYS 25 2.943 -5.491 2.911 207 HB2 LYS 25 HB1 LYS 25 4.980 -4.568 4.948 208 HB3 LYS 25 HB2 LYS 25 5.324 -5.764 3.675 209 HG2 LYS 25 HG1 LYS 25 4.250 -3.028 3.013 210 HG3 LYS 25 HG2 LYS 25 5.989 -3.310 3.269 211 HD2 LYS 25 HD1 LYS 25 6.161 -4.726 1.417 212 HD3 LYS 25 HD2 LYS 25 4.409 -5.038 1.373 213 HE2 LYS 25 HE1 LYS 25 4.793 -3.595 -0.442 214 HE3 LYS 25 HE2 LYS 25 4.158 -2.537 0.842 215 HZ1 LYS 25 HZ1 LYS 25 6.290 -1.901 -0.519 216 HZ2 LYS 25 HZ2 LYS 25 7.066 -2.874 0.626 217 HZ3 LYS 25 HZ3 LYS 25 6.167 -1.532 1.128 218 H ARG 26 HN ARG 26 3.309 -5.580 6.448 219 HA ARG 26 HA ARG 26 3.850 -8.238 6.837 220 HB2 ARG 26 HB1 ARG 26 2.278 -6.234 8.426 221 HB3 ARG 26 HB2 ARG 26 2.365 -7.927 8.970 222 HG2 ARG 26 HG1 ARG 26 4.760 -7.810 9.151 223 HG3 ARG 26 HG2 ARG 26 4.781 -6.189 8.415 224 HD2 ARG 26 HD1 ARG 26 5.027 -5.927 10.787 225 HD3 ARG 26 HD2 ARG 26 3.394 -5.377 10.340 226 HE ARG 26 HE ARG 26 3.110 -8.021 11.039 227 HH11 ARG 26 1HH1 ARG 26 4.297 -5.136 12.582 228 HH12 ARG 26 2HH1 ARG 26 3.841 -5.642 14.175 229 HH21 ARG 26 1HH2 ARG 26 2.506 -8.701 13.131 230 HH22 ARG 26 2HH2 ARG 26 2.823 -7.671 14.486 231 H ALA 27 HN ALA 27 0.585 -6.799 6.749 232 HA ALA 27 HA ALA 27 -0.815 -9.229 6.873 233 HB1 ALA 27 HB1 ALA 27 -2.757 -7.948 6.071 234 HB2 ALA 27 HB2 ALA 27 -1.678 -6.589 5.677 235 HB3 ALA 27 HB3 ALA 27 -1.882 -7.101 7.369 236 H THR 28 HN THR 28 0.541 -7.444 4.176 237 HA THR 28 HA THR 28 -0.776 -8.717 2.065 238 HB THR 28 HB THR 28 2.099 -7.819 1.943 239 HG1 THR 28 HG1 THR 28 1.243 -5.730 1.525 240 HG21 THR 28 3HG2 THR 28 1.233 -8.953 -0.049 241 HG22 THR 28 1HG2 THR 28 1.512 -7.225 -0.370 242 HG23 THR 28 2HG2 THR 28 -0.142 -7.823 -0.096 243 H GLN 29 HN GLN 29 1.673 -9.860 4.198 244 HA GLN 29 HA GLN 29 2.616 -11.959 2.468 245 HB2 GLN 29 HB1 GLN 29 2.975 -11.682 5.461 246 HB3 GLN 29 HB2 GLN 29 3.934 -12.693 4.353 247 HG2 GLN 29 HG1 GLN 29 4.424 -10.392 3.180 248 HG3 GLN 29 HG2 GLN 29 3.981 -9.730 4.773 249 HE21 GLN 29 1HE2 GLN 29 6.095 -12.097 3.199 250 HE22 GLN 29 2HE2 GLN 29 7.388 -11.961 4.337 251 H ILE 30 HN ILE 30 -0.123 -11.502 4.364 252 HA ILE 30 HA ILE 30 -1.159 -14.067 3.820 253 HB ILE 30 HB ILE 30 0.312 -14.869 5.552 254 HG12 ILE 30 1HG1 ILE 30 -1.287 -15.890 7.051 255 HG13 ILE 30 2HG1 ILE 30 -2.475 -14.609 6.708 256 HG21 ILE 30 1HG2 ILE 30 0.206 -14.018 7.856 257 HG22 ILE 30 2HG2 ILE 30 -0.938 -12.762 7.327 258 HG23 ILE 30 3HG2 ILE 30 0.730 -12.765 6.707 259 HD11 ILE 30 3HD1 ILE 30 -2.632 -15.376 4.386 260 HD12 ILE 30 1HD1 ILE 30 -3.032 -16.677 5.533 261 HD13 ILE 30 2HD1 ILE 30 -1.445 -16.657 4.728 262 HA PRO 31 HA PRO 31 -4.231 -10.762 4.767 263 HB2 PRO 31 HB1 PRO 31 -5.819 -11.332 2.612 264 HB3 PRO 31 HB2 PRO 31 -4.404 -10.257 2.509 265 HG2 PRO 31 HG1 PRO 31 -4.658 -13.158 1.762 266 HG3 PRO 31 HG2 PRO 31 -3.848 -11.833 0.891 267 HD2 PRO 31 HD1 PRO 31 -2.481 -13.635 2.405 268 HD3 PRO 31 HD2 PRO 31 -1.950 -11.945 2.224 269 H SER 32 HN SER 32 -6.754 -11.083 4.689 270 HA SER 32 HA SER 32 -7.286 -13.605 6.085 271 HB2 SER 32 HB1 SER 32 -9.278 -12.481 6.988 272 HB3 SER 32 HB2 SER 32 -7.803 -11.540 7.315 273 HG SER 32 HG SER 32 -9.991 -10.729 6.076 274 H TYR 33 HN TYR 33 -7.144 -13.342 3.152 275 HA TYR 33 HA TYR 33 -9.772 -13.398 2.076 276 HB2 TYR 33 HB1 TYR 33 -8.789 -13.843 0.029 277 HB3 TYR 33 HB2 TYR 33 -7.478 -13.012 0.901 278 HD1 TYR 33 HD2 TYR 33 -6.467 -15.183 2.629 279 HD2 TYR 33 HD1 TYR 33 -7.679 -15.282 -1.448 280 HE1 TYR 33 HE2 TYR 33 -4.982 -17.104 2.240 281 HE2 TYR 33 HE1 TYR 33 -6.198 -17.204 -1.848 282 HH TYR 33 HH TYR 33 -3.777 -18.122 0.220 283 H LYS 34 HN LYS 34 -10.036 -15.579 0.535 284 HA LYS 34 HA LYS 34 -10.544 -17.672 2.507 285 HB2 LYS 34 HB1 LYS 34 -11.960 -18.681 0.748 286 HB3 LYS 34 HB2 LYS 34 -12.431 -17.010 1.142 287 HG2 LYS 34 HG1 LYS 34 -12.481 -16.784 -1.101 288 HG3 LYS 34 HG2 LYS 34 -10.727 -16.553 -0.906 289 HD2 LYS 34 HD1 LYS 34 -10.376 -18.317 -2.222 290 HD3 LYS 34 HD2 LYS 34 -11.181 -19.349 -1.015 291 HE2 LYS 34 HE1 LYS 34 -13.382 -18.627 -2.087 292 HE3 LYS 34 HE2 LYS 34 -12.397 -17.964 -3.414 293 HZ1 LYS 34 HZ1 LYS 34 -12.966 -20.106 -4.094 294 HZ2 LYS 34 HZ2 LYS 34 -12.690 -20.789 -2.572 295 HZ3 LYS 34 HZ3 LYS 34 -11.384 -20.281 -3.520 296 H LYS 35 HN LYS 35 -9.328 -19.434 2.655 297 HA LYS 35 HA LYS 35 -7.468 -20.037 0.455 298 HB2 LYS 35 HB1 LYS 35 -6.986 -19.658 3.175 299 HB3 LYS 35 HB2 LYS 35 -6.928 -21.424 2.956 300 HG2 LYS 35 HG1 LYS 35 -5.423 -20.646 0.856 301 HG3 LYS 35 HG2 LYS 35 -5.092 -19.310 1.985 302 HD2 LYS 35 HD1 LYS 35 -3.439 -20.849 2.532 303 HD3 LYS 35 HD2 LYS 35 -4.709 -21.210 3.727 304 HE2 LYS 35 HE1 LYS 35 -5.106 -22.711 1.268 305 HE3 LYS 35 HE2 LYS 35 -3.491 -23.006 1.955 306 HZ1 LYS 35 HZ1 LYS 35 -4.490 -24.411 3.329 307 HZ2 LYS 35 HZ2 LYS 35 -6.037 -23.904 2.874 308 HZ3 LYS 35 HZ3 LYS 35 -5.206 -23.086 4.099 309 H LEU 36 HN LEU 36 -7.139 -22.212 -0.168 310 HA LEU 36 HA LEU 36 -9.261 -24.073 0.673 311 HB2 LEU 36 HB1 LEU 36 -9.804 -23.203 -1.522 312 HB3 LEU 36 HB2 LEU 36 -8.179 -23.625 -2.113 313 HG LEU 36 HG LEU 36 -8.819 -26.049 -1.603 314 HD11 LEU 36 1HD1 LEU 36 -11.216 -26.547 -1.626 315 HD12 LEU 36 2HD1 LEU 36 -11.575 -24.805 -1.565 316 HD13 LEU 36 3HD1 LEU 36 -10.757 -25.594 -0.195 317 HD21 LEU 36 3HD2 LEU 36 -10.295 -24.538 -3.770 318 HD22 LEU 36 1HD2 LEU 36 -9.985 -26.290 -3.746 319 HD23 LEU 36 2HD2 LEU 36 -8.626 -25.148 -3.866 320 H ILE 37 HN ILE 37 -6.388 -24.238 -1.430 321 HA ILE 37 HA ILE 37 -5.537 -26.617 0.076 322 HB ILE 37 HB ILE 37 -4.129 -27.132 -1.916 323 HG12 ILE 37 1HG1 ILE 37 -5.767 -25.220 -3.523 324 HG13 ILE 37 2HG1 ILE 37 -4.377 -24.577 -2.617 325 HG21 ILE 37 1HG2 ILE 37 -5.987 -27.902 -3.330 326 HG22 ILE 37 2HG2 ILE 37 -7.098 -26.847 -2.424 327 HG23 ILE 37 3HG2 ILE 37 -6.293 -28.206 -1.603 328 HD11 ILE 37 3HD1 ILE 37 -2.896 -26.157 -3.769 329 HD12 ILE 37 1HD1 ILE 37 -3.764 -25.116 -4.922 330 HD13 ILE 37 2HD1 ILE 37 -4.286 -26.800 -4.675 331 H MET 38 HN MET 38 -3.363 -26.863 0.686 332 HA MET 38 HA MET 38 -1.928 -24.317 0.969 333 HB2 MET 38 HB1 MET 38 -0.751 -25.333 2.830 334 HB3 MET 38 HB2 MET 38 -2.508 -25.514 3.049 335 HG2 MET 38 HG1 MET 38 -1.953 -27.831 1.784 336 HG3 MET 38 HG2 MET 38 -0.407 -27.558 2.624 337 HE1 MET 38 HE1 MET 38 -4.272 -29.108 4.373 338 HE2 MET 38 HE2 MET 38 -3.472 -29.466 2.824 339 HE3 MET 38 HE3 MET 38 -4.315 -27.915 3.053 340 H TYR 39 HN TYR 39 -1.578 -27.640 -0.128 341 HA TYR 39 HA TYR 39 1.199 -27.517 -0.678 342 HB2 TYR 39 HB1 TYR 39 -0.981 -29.299 -1.786 343 HB3 TYR 39 HB2 TYR 39 0.756 -29.527 -2.104 344 HD1 TYR 39 HD1 TYR 39 -1.814 -29.503 0.581 345 HD2 TYR 39 HD2 TYR 39 2.141 -30.618 -0.519 346 HE1 TYR 39 HE1 TYR 39 -1.616 -30.818 2.650 347 HE2 TYR 39 HE2 TYR 39 2.351 -31.937 1.545 348 HH TYR 39 HH TYR 39 -0.350 -32.207 3.835 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -6.042 22.701 -10.208 2 H2 GLY 1 HT2 GLY 1 -6.831 21.150 -10.364 3 H3 GLY 1 HT3 GLY 1 -6.170 21.644 -8.824 4 HA2 GLY 1 HA1 GLY 1 -7.745 23.438 -8.719 5 HA3 GLY 1 HA2 GLY 1 -8.410 22.939 -10.267 6 H ILE 2 HN ILE 2 -7.323 20.453 -8.156 7 HA ILE 2 HA ILE 2 -10.057 19.989 -7.186 8 HB ILE 2 HB ILE 2 -9.809 18.558 -9.125 9 HG12 ILE 2 1HG1 ILE 2 -9.452 16.865 -6.644 10 HG13 ILE 2 2HG1 ILE 2 -10.954 17.739 -7.030 11 HG21 ILE 2 1HG2 ILE 2 -8.065 16.827 -9.237 12 HG22 ILE 2 2HG2 ILE 2 -7.340 17.480 -7.749 13 HG23 ILE 2 3HG2 ILE 2 -7.376 18.468 -9.229 14 HD11 ILE 2 3HD1 ILE 2 -11.170 16.451 -9.105 15 HD12 ILE 2 1HD1 ILE 2 -11.100 15.388 -7.680 16 HD13 ILE 2 2HD1 ILE 2 -9.668 15.578 -8.720 17 H HIS 3 HN HIS 3 -10.135 19.562 -5.080 18 HA HIS 3 HA HIS 3 -9.492 19.131 -2.941 19 HB2 HIS 3 HB1 HIS 3 -7.709 17.221 -4.452 20 HB3 HIS 3 HB2 HIS 3 -7.743 17.296 -2.674 21 HD1 HIS 3 HD1 HIS 3 -10.860 17.649 -2.403 22 HD2 HIS 3 HD2 HIS 3 -8.960 14.776 -4.724 23 HE1 HIS 3 HE1 HIS 3 -12.530 15.789 -2.670 24 H LYS 4 HN LYS 4 -8.404 21.424 -4.036 25 HA LYS 4 HA LYS 4 -5.656 21.456 -2.978 26 HB2 LYS 4 HB1 LYS 4 -6.320 22.170 -5.441 27 HB3 LYS 4 HB2 LYS 4 -6.745 23.698 -4.631 28 HG2 LYS 4 HG1 LYS 4 -4.360 23.524 -3.606 29 HG3 LYS 4 HG2 LYS 4 -4.060 22.383 -4.940 30 HD2 LYS 4 HD1 LYS 4 -5.342 25.015 -5.568 31 HD3 LYS 4 HD2 LYS 4 -3.600 24.983 -5.203 32 HE2 LYS 4 HE1 LYS 4 -3.266 23.290 -6.958 33 HE3 LYS 4 HE2 LYS 4 -5.007 23.333 -7.326 34 HZ1 LYS 4 HZ1 LYS 4 -4.650 25.047 -8.658 35 HZ2 LYS 4 HZ2 LYS 4 -2.990 24.977 -8.342 36 HZ3 LYS 4 HZ3 LYS 4 -3.991 25.956 -7.392 37 H GLN 5 HN GLN 5 -8.674 23.324 -3.093 38 HA GLN 5 HA GLN 5 -7.772 25.046 -0.939 39 HB2 GLN 5 HB1 GLN 5 -10.482 24.950 -2.283 40 HB3 GLN 5 HB2 GLN 5 -9.840 26.255 -1.258 41 HG2 GLN 5 HG1 GLN 5 -7.945 26.340 -3.066 42 HG3 GLN 5 HG2 GLN 5 -9.158 25.525 -4.083 43 HE21 GLN 5 1HE2 GLN 5 -7.914 28.301 -3.997 44 HE22 GLN 5 2HE2 GLN 5 -9.271 29.365 -4.098 45 H LYS 6 HN LYS 6 -8.092 24.632 1.138 46 HA LYS 6 HA LYS 6 -10.374 22.958 1.925 47 HB2 LYS 6 HB1 LYS 6 -7.478 22.612 2.664 48 HB3 LYS 6 HB2 LYS 6 -8.770 22.044 3.748 49 HG2 LYS 6 HG1 LYS 6 -8.364 20.136 2.550 50 HG3 LYS 6 HG2 LYS 6 -9.646 20.870 1.556 51 HD2 LYS 6 HD1 LYS 6 -8.119 20.376 -0.081 52 HD3 LYS 6 HD2 LYS 6 -7.575 22.014 0.357 53 HE2 LYS 6 HE1 LYS 6 -6.048 20.777 2.068 54 HE3 LYS 6 HE2 LYS 6 -6.357 19.349 1.051 55 HZ1 LYS 6 HZ1 LYS 6 -4.395 21.134 0.624 56 HZ2 LYS 6 HZ2 LYS 6 -5.596 21.736 -0.404 57 HZ3 LYS 6 HZ3 LYS 6 -5.057 20.142 -0.575 58 H GLU 7 HN GLU 7 -10.394 22.987 4.516 59 HA GLU 7 HA GLU 7 -10.844 25.742 5.198 60 HB2 GLU 7 HB1 GLU 7 -11.222 23.124 6.637 61 HB3 GLU 7 HB2 GLU 7 -11.417 24.679 7.483 62 HG2 GLU 7 HG1 GLU 7 -13.161 25.329 5.893 63 HG3 GLU 7 HG2 GLU 7 -12.961 23.780 5.037 64 H LYS 8 HN LYS 8 -8.940 23.178 6.791 65 HA LYS 8 HA LYS 8 -7.529 24.826 8.526 66 HB2 LYS 8 HB1 LYS 8 -6.694 22.211 7.249 67 HB3 LYS 8 HB2 LYS 8 -5.841 22.987 8.606 68 HG2 LYS 8 HG1 LYS 8 -7.513 22.506 10.113 69 HG3 LYS 8 HG2 LYS 8 -8.770 22.415 8.856 70 HD2 LYS 8 HD1 LYS 8 -7.649 20.321 8.018 71 HD3 LYS 8 HD2 LYS 8 -6.604 20.383 9.458 72 HE2 LYS 8 HE1 LYS 8 -8.759 20.452 10.829 73 HE3 LYS 8 HE2 LYS 8 -9.603 20.009 9.326 74 HZ1 LYS 8 HZ1 LYS 8 -8.205 18.023 9.197 75 HZ2 LYS 8 HZ2 LYS 8 -9.100 18.056 10.632 76 HZ3 LYS 8 HZ3 LYS 8 -7.452 18.436 10.655 77 H SER 9 HN SER 9 -5.138 25.238 8.460 78 HA SER 9 HA SER 9 -4.498 26.915 6.312 79 HB2 SER 9 HB1 SER 9 -3.330 27.473 8.228 80 HB3 SER 9 HB2 SER 9 -2.977 25.774 8.627 81 HG SER 9 HG SER 9 -1.353 27.450 7.489 82 H ARG 10 HN ARG 10 -3.010 23.785 7.171 83 HA ARG 10 HA ARG 10 -2.880 22.996 4.410 84 HB2 ARG 10 HB1 ARG 10 -0.422 22.740 4.348 85 HB3 ARG 10 HB2 ARG 10 -0.936 24.441 4.462 86 HG2 ARG 10 HG1 ARG 10 0.681 24.506 6.043 87 HG3 ARG 10 HG2 ARG 10 -0.633 23.897 7.078 88 HD2 ARG 10 HD1 ARG 10 0.264 21.554 6.147 89 HD3 ARG 10 HD2 ARG 10 1.768 22.495 5.996 90 HE ARG 10 HE ARG 10 0.533 22.803 8.561 91 HH11 ARG 10 1HH1 ARG 10 2.553 20.721 6.637 92 HH12 ARG 10 2HH1 ARG 10 3.348 20.012 8.002 93 HH21 ARG 10 1HH2 ARG 10 1.574 21.878 10.368 94 HH22 ARG 10 2HH2 ARG 10 2.790 20.670 10.124 95 H LEU 11 HN LEU 11 -2.478 20.799 4.146 96 HA LEU 11 HA LEU 11 -2.263 19.257 6.648 97 HB2 LEU 11 HB1 LEU 11 -3.516 17.470 5.254 98 HB3 LEU 11 HB2 LEU 11 -4.425 18.824 5.967 99 HG LEU 11 HG LEU 11 -4.298 19.953 3.720 100 HD11 LEU 11 1HD1 LEU 11 -3.817 18.558 1.766 101 HD12 LEU 11 2HD1 LEU 11 -3.329 17.227 2.842 102 HD13 LEU 11 3HD1 LEU 11 -2.388 18.737 2.811 103 HD21 LEU 11 3HD2 LEU 11 -5.683 17.267 3.849 104 HD22 LEU 11 1HD2 LEU 11 -6.085 18.595 2.736 105 HD23 LEU 11 2HD2 LEU 11 -6.312 18.804 4.488 106 H GLN 12 HN GLN 12 -0.162 20.170 4.753 107 HA GLN 12 HA GLN 12 0.793 18.259 3.038 108 HB2 GLN 12 HB1 GLN 12 2.071 20.317 4.769 109 HB3 GLN 12 HB2 GLN 12 3.129 19.077 4.052 110 HG2 GLN 12 HG1 GLN 12 1.204 20.765 2.445 111 HG3 GLN 12 HG2 GLN 12 2.900 21.217 2.744 112 HE21 GLN 12 1HE2 GLN 12 0.760 19.401 0.833 113 HE22 GLN 12 2HE2 GLN 12 1.936 18.578 -0.129 114 H GLY 13 HN GLY 13 1.621 18.501 6.504 115 HA2 GLY 13 HA1 GLY 13 3.188 16.265 6.771 116 HA3 GLY 13 HA2 GLY 13 2.116 16.854 8.034 117 H GLY 14 HN GLY 14 -0.308 16.393 6.465 118 HA2 GLY 14 HA1 GLY 14 -1.082 13.925 7.377 119 HA3 GLY 14 HA2 GLY 14 -1.812 14.718 5.989 120 H VAL 15 HN VAL 15 0.665 14.654 4.428 121 HA VAL 15 HA VAL 15 0.297 12.392 2.926 122 HB VAL 15 HB VAL 15 2.565 12.714 2.036 123 HG11 VAL 15 1HG1 VAL 15 2.285 15.029 1.255 124 HG12 VAL 15 2HG1 VAL 15 1.061 15.296 2.519 125 HG13 VAL 15 3HG1 VAL 15 0.752 14.125 1.215 126 HG21 VAL 15 3HG2 VAL 15 2.855 14.732 4.274 127 HG22 VAL 15 1HG2 VAL 15 4.009 14.488 2.941 128 HG23 VAL 15 2HG2 VAL 15 3.731 13.189 4.126 129 H LEU 16 HN LEU 16 2.234 12.766 5.828 130 HA LEU 16 HA LEU 16 3.825 10.535 5.788 131 HB2 LEU 16 HB1 LEU 16 3.143 12.425 7.653 132 HB3 LEU 16 HB2 LEU 16 2.485 10.934 8.368 133 HG LEU 16 HG LEU 16 4.735 11.451 9.197 134 HD11 LEU 16 1HD1 LEU 16 5.745 9.257 8.791 135 HD12 LEU 16 2HD1 LEU 16 4.619 8.995 7.437 136 HD13 LEU 16 3HD1 LEU 16 3.997 9.129 9.099 137 HD21 LEU 16 3HD2 LEU 16 5.589 11.086 6.318 138 HD22 LEU 16 1HD2 LEU 16 6.678 11.271 7.713 139 HD23 LEU 16 2HD2 LEU 16 5.610 12.612 7.234 140 H VAL 17 HN VAL 17 0.374 10.716 6.335 141 HA VAL 17 HA VAL 17 -0.208 8.299 7.486 142 HB VAL 17 HB VAL 17 -1.716 9.678 5.261 143 HG11 VAL 17 1HG1 VAL 17 -3.667 8.380 6.002 144 HG12 VAL 17 2HG1 VAL 17 -2.629 7.490 7.141 145 HG13 VAL 17 3HG1 VAL 17 -2.367 7.332 5.388 146 HG21 VAL 17 3HG2 VAL 17 -2.066 9.734 8.267 147 HG22 VAL 17 1HG2 VAL 17 -3.127 10.535 7.085 148 HG23 VAL 17 2HG2 VAL 17 -1.434 11.055 7.257 149 H ASN 18 HN ASN 18 0.730 8.939 4.162 150 HA ASN 18 HA ASN 18 0.044 6.609 2.889 151 HB2 ASN 18 HB1 ASN 18 1.549 7.180 1.238 152 HB3 ASN 18 HB2 ASN 18 1.356 8.740 2.073 153 HD21 ASN 18 1HD2 ASN 18 2.936 8.992 3.970 154 HD22 ASN 18 2HD2 ASN 18 4.577 8.563 3.643 155 H GLU 19 HN GLU 19 2.617 7.137 5.202 156 HA GLU 19 HA GLU 19 4.240 4.960 4.831 157 HB2 GLU 19 HB1 GLU 19 5.028 5.290 6.973 158 HB3 GLU 19 HB2 GLU 19 4.266 6.862 6.630 159 HG2 GLU 19 HG1 GLU 19 2.173 5.824 7.747 160 HG3 GLU 19 HG2 GLU 19 3.317 4.630 8.406 161 H ILE 20 HN ILE 20 0.974 5.019 5.995 162 HA ILE 20 HA ILE 20 0.712 2.699 7.418 163 HB ILE 20 HB ILE 20 -1.164 4.211 7.001 164 HG12 ILE 20 1HG1 ILE 20 -2.624 2.056 5.949 165 HG13 ILE 20 2HG1 ILE 20 -1.250 1.323 6.813 166 HG21 ILE 20 1HG2 ILE 20 -2.393 4.134 4.875 167 HG22 ILE 20 2HG2 ILE 20 -1.144 3.058 4.206 168 HG23 ILE 20 3HG2 ILE 20 -0.729 4.728 4.662 169 HD11 ILE 20 3HD1 ILE 20 -1.862 2.566 8.838 170 HD12 ILE 20 1HD1 ILE 20 -3.202 1.543 8.269 171 HD13 ILE 20 2HD1 ILE 20 -3.235 3.298 7.974 172 H LEU 21 HN LEU 21 0.899 3.041 3.904 173 HA LEU 21 HA LEU 21 0.280 0.491 3.085 174 HB2 LEU 21 HB1 LEU 21 1.692 0.887 1.137 175 HB3 LEU 21 HB2 LEU 21 0.721 2.323 1.543 176 HG LEU 21 HG LEU 21 2.999 2.937 2.836 177 HD11 LEU 21 1HD1 LEU 21 4.916 2.351 1.427 178 HD12 LEU 21 2HD1 LEU 21 3.866 1.312 0.436 179 HD13 LEU 21 3HD1 LEU 21 4.162 0.907 2.144 180 HD21 LEU 21 3HD2 LEU 21 2.450 3.380 -0.107 181 HD22 LEU 21 1HD2 LEU 21 3.556 4.340 0.904 182 HD23 LEU 21 2HD2 LEU 21 1.808 4.350 1.240 183 H ASN 22 HN ASN 22 3.410 1.697 4.239 184 HA ASN 22 HA ASN 22 4.986 -0.520 3.803 185 HB2 ASN 22 HB1 ASN 22 5.124 1.866 5.387 186 HB3 ASN 22 HB2 ASN 22 5.691 0.492 6.367 187 HD21 ASN 22 1HD2 ASN 22 6.613 2.818 4.210 188 HD22 ASN 22 2HD2 ASN 22 8.079 2.107 3.634 189 H HIS 23 HN HIS 23 3.476 0.220 6.951 190 HA HIS 23 HA HIS 23 3.922 -2.219 8.161 191 HB2 HIS 23 HB1 HIS 23 2.789 -1.319 9.867 192 HB3 HIS 23 HB2 HIS 23 2.617 0.120 8.834 193 HD1 HIS 23 HD1 HIS 23 0.295 0.613 7.886 194 HD2 HIS 23 HD2 HIS 23 0.464 -2.941 10.030 195 HE1 HIS 23 HE1 HIS 23 -2.097 -0.101 8.193 196 H MET 24 HN MET 24 1.254 -1.250 6.060 197 HA MET 24 HA MET 24 -0.457 -3.386 6.361 198 HB2 MET 24 HB1 MET 24 -0.032 -1.297 4.440 199 HB3 MET 24 HB2 MET 24 -0.378 -2.820 3.586 200 HG2 MET 24 HG1 MET 24 -2.145 -2.273 5.872 201 HG3 MET 24 HG2 MET 24 -2.252 -1.083 4.552 202 HE1 MET 24 HE1 MET 24 -5.346 -3.045 3.476 203 HE2 MET 24 HE2 MET 24 -4.553 -1.455 3.583 204 HE3 MET 24 HE3 MET 24 -4.878 -2.388 5.063 205 H LYS 25 HN LYS 25 2.605 -3.251 4.695 206 HA LYS 25 HA LYS 25 2.512 -5.427 3.027 207 HB2 LYS 25 HB1 LYS 25 4.441 -3.823 3.409 208 HB3 LYS 25 HB2 LYS 25 4.872 -4.823 4.816 209 HG2 LYS 25 HG1 LYS 25 6.251 -5.557 3.046 210 HG3 LYS 25 HG2 LYS 25 4.979 -6.791 3.217 211 HD2 LYS 25 HD1 LYS 25 5.149 -6.436 0.898 212 HD3 LYS 25 HD2 LYS 25 3.723 -5.492 1.392 213 HE2 LYS 25 HE1 LYS 25 4.938 -4.072 -0.050 214 HE3 LYS 25 HE2 LYS 25 5.306 -3.497 1.594 215 HZ1 LYS 25 HZ1 LYS 25 7.337 -3.576 0.430 216 HZ2 LYS 25 HZ2 LYS 25 7.033 -5.117 -0.199 217 HZ3 LYS 25 HZ3 LYS 25 7.355 -4.926 1.451 218 H ARG 26 HN ARG 26 2.743 -5.385 6.521 219 HA ARG 26 HA ARG 26 3.585 -7.937 7.093 220 HB2 ARG 26 HB1 ARG 26 2.602 -5.861 8.557 221 HB3 ARG 26 HB2 ARG 26 1.273 -7.037 8.696 222 HG2 ARG 26 HG1 ARG 26 3.185 -8.709 9.311 223 HG3 ARG 26 HG2 ARG 26 4.105 -7.228 9.671 224 HD2 ARG 26 HD1 ARG 26 1.774 -6.667 10.933 225 HD3 ARG 26 HD2 ARG 26 1.796 -8.440 11.084 226 HE ARG 26 HE ARG 26 3.451 -8.216 12.636 227 HH11 ARG 26 1HH1 ARG 26 3.368 -5.323 10.701 228 HH12 ARG 26 2HH1 ARG 26 4.562 -4.499 11.647 229 HH21 ARG 26 1HH2 ARG 26 5.026 -7.142 13.890 230 HH22 ARG 26 2HH2 ARG 26 5.506 -5.535 13.460 231 H ALA 27 HN ALA 27 0.483 -6.892 5.867 232 HA ALA 27 HA ALA 27 -0.726 -9.503 6.226 233 HB1 ALA 27 HB1 ALA 27 -2.706 -8.497 5.166 234 HB2 ALA 27 HB2 ALA 27 -1.773 -7.012 4.865 235 HB3 ALA 27 HB3 ALA 27 -2.113 -7.527 6.535 236 H THR 28 HN THR 28 1.647 -9.300 4.549 237 HA THR 28 HA THR 28 1.052 -9.325 1.811 238 HB THR 28 HB THR 28 3.144 -11.096 2.017 239 HG1 THR 28 HG1 THR 28 3.670 -9.214 4.043 240 HG21 THR 28 3HG2 THR 28 3.084 -9.073 0.636 241 HG22 THR 28 1HG2 THR 28 4.584 -9.147 1.591 242 HG23 THR 28 2HG2 THR 28 3.260 -8.069 2.095 243 H GLN 29 HN GLN 29 0.465 -11.659 4.274 244 HA GLN 29 HA GLN 29 0.336 -13.971 2.627 245 HB2 GLN 29 HB1 GLN 29 -0.909 -14.975 4.538 246 HB3 GLN 29 HB2 GLN 29 0.642 -14.233 4.998 247 HG2 GLN 29 HG1 GLN 29 -1.159 -12.166 5.317 248 HG3 GLN 29 HG2 GLN 29 -2.084 -13.594 5.842 249 HE21 GLN 29 1HE2 GLN 29 1.296 -12.512 6.136 250 HE22 GLN 29 2HE2 GLN 29 1.398 -12.746 7.845 251 H ILE 30 HN ILE 30 -1.649 -11.270 2.878 252 HA ILE 30 HA ILE 30 -3.556 -12.324 1.050 253 HB ILE 30 HB ILE 30 -4.527 -13.389 2.972 254 HG12 ILE 30 1HG1 ILE 30 -6.268 -10.970 2.716 255 HG13 ILE 30 2HG1 ILE 30 -5.912 -11.924 1.256 256 HG21 ILE 30 1HG2 ILE 30 -5.245 -12.125 4.955 257 HG22 ILE 30 2HG2 ILE 30 -4.502 -10.659 4.274 258 HG23 ILE 30 3HG2 ILE 30 -3.483 -12.049 4.718 259 HD11 ILE 30 3HD1 ILE 30 -6.815 -13.927 2.345 260 HD12 ILE 30 1HD1 ILE 30 -8.020 -12.619 2.282 261 HD13 ILE 30 2HD1 ILE 30 -7.171 -12.973 3.805 262 HA PRO 31 HA PRO 31 -2.979 -7.734 1.052 263 HB2 PRO 31 HB1 PRO 31 -2.637 -7.558 -1.658 264 HB3 PRO 31 HB2 PRO 31 -1.298 -7.904 -0.538 265 HG2 PRO 31 HG1 PRO 31 -2.920 -9.798 -2.218 266 HG3 PRO 31 HG2 PRO 31 -1.163 -9.762 -1.934 267 HD2 PRO 31 HD1 PRO 31 -2.818 -11.482 -0.626 268 HD3 PRO 31 HD2 PRO 31 -1.345 -10.821 0.125 269 H SER 32 HN SER 32 -4.627 -6.338 0.815 270 HA SER 32 HA SER 32 -6.893 -7.137 -0.891 271 HB2 SER 32 HB1 SER 32 -8.425 -6.137 0.760 272 HB3 SER 32 HB2 SER 32 -7.476 -7.465 1.470 273 HG SER 32 HG SER 32 -7.598 -4.883 2.224 274 H TYR 33 HN TYR 33 -4.596 -5.365 -1.415 275 HA TYR 33 HA TYR 33 -5.951 -2.767 -1.653 276 HB2 TYR 33 HB1 TYR 33 -3.839 -1.735 -1.808 277 HB3 TYR 33 HB2 TYR 33 -3.679 -2.956 -0.522 278 HD1 TYR 33 HD1 TYR 33 -2.664 -5.231 -1.205 279 HD2 TYR 33 HD2 TYR 33 -2.324 -1.723 -3.589 280 HE1 TYR 33 HE1 TYR 33 -0.739 -6.220 -2.375 281 HE2 TYR 33 HE2 TYR 33 -0.400 -2.703 -4.767 282 HH TYR 33 HH TYR 33 0.540 -6.028 -4.306 283 H LYS 34 HN LYS 34 -4.581 -1.637 -3.713 284 HA LYS 34 HA LYS 34 -5.040 -3.414 -6.012 285 HB2 LYS 34 HB1 LYS 34 -6.270 -1.791 -7.193 286 HB3 LYS 34 HB2 LYS 34 -6.955 -1.788 -5.550 287 HG2 LYS 34 HG1 LYS 34 -4.869 0.178 -6.521 288 HG3 LYS 34 HG2 LYS 34 -6.624 0.479 -6.561 289 HD2 LYS 34 HD1 LYS 34 -6.499 -0.169 -4.020 290 HD3 LYS 34 HD2 LYS 34 -4.775 0.237 -4.204 291 HE2 LYS 34 HE1 LYS 34 -5.631 2.283 -3.579 292 HE3 LYS 34 HE2 LYS 34 -5.733 2.410 -5.351 293 HZ1 LYS 34 HZ1 LYS 34 -7.770 3.106 -4.114 294 HZ2 LYS 34 HZ2 LYS 34 -7.990 1.495 -3.647 295 HZ3 LYS 34 HZ3 LYS 34 -8.037 1.915 -5.285 296 H LYS 35 HN LYS 35 -3.623 -3.211 -7.689 297 HA LYS 35 HA LYS 35 -1.395 -1.333 -7.278 298 HB2 LYS 35 HB1 LYS 35 -1.159 -3.969 -7.380 299 HB3 LYS 35 HB2 LYS 35 -1.184 -3.667 -9.134 300 HG2 LYS 35 HG1 LYS 35 0.754 -2.246 -8.972 301 HG3 LYS 35 HG2 LYS 35 0.730 -2.344 -7.195 302 HD2 LYS 35 HD1 LYS 35 1.217 -4.718 -7.278 303 HD3 LYS 35 HD2 LYS 35 1.119 -4.707 -9.055 304 HE2 LYS 35 HE1 LYS 35 3.064 -2.932 -7.580 305 HE3 LYS 35 HE2 LYS 35 3.456 -4.630 -7.946 306 HZ1 LYS 35 HZ1 LYS 35 2.431 -3.311 -10.246 307 HZ2 LYS 35 HZ2 LYS 35 3.920 -4.083 -10.030 308 HZ3 LYS 35 HZ3 LYS 35 3.747 -2.452 -9.618 309 H LEU 36 HN LEU 36 -3.328 -2.858 -9.849 310 HA LEU 36 HA LEU 36 -2.400 -1.072 -11.872 311 HB2 LEU 36 HB1 LEU 36 -3.264 -3.393 -12.258 312 HB3 LEU 36 HB2 LEU 36 -4.894 -2.774 -11.899 313 HG LEU 36 HG LEU 36 -4.473 -1.142 -13.847 314 HD11 LEU 36 1HD1 LEU 36 -2.921 -1.951 -15.561 315 HD12 LEU 36 2HD1 LEU 36 -2.363 -3.223 -14.449 316 HD13 LEU 36 3HD1 LEU 36 -2.071 -1.511 -14.060 317 HD21 LEU 36 3HD2 LEU 36 -4.767 -4.109 -14.368 318 HD22 LEU 36 1HD2 LEU 36 -5.234 -2.802 -15.483 319 HD23 LEU 36 2HD2 LEU 36 -6.075 -2.986 -13.925 320 H ILE 37 HN ILE 37 -5.001 -1.046 -9.572 321 HA ILE 37 HA ILE 37 -6.246 1.259 -10.883 322 HB ILE 37 HB ILE 37 -7.258 -0.053 -8.377 323 HG12 ILE 37 1HG1 ILE 37 -6.969 -1.855 -9.967 324 HG13 ILE 37 2HG1 ILE 37 -8.699 -1.465 -9.814 325 HG21 ILE 37 1HG2 ILE 37 -9.426 0.778 -9.186 326 HG22 ILE 37 2HG2 ILE 37 -8.614 1.471 -10.610 327 HG23 ILE 37 3HG2 ILE 37 -8.242 2.091 -8.984 328 HD11 ILE 37 3HD1 ILE 37 -8.596 -0.188 -11.906 329 HD12 ILE 37 1HD1 ILE 37 -8.082 -1.875 -12.144 330 HD13 ILE 37 2HD1 ILE 37 -6.866 -0.578 -12.059 331 H MET 38 HN MET 38 -3.643 1.432 -9.556 332 HA MET 38 HA MET 38 -3.854 2.620 -7.015 333 HB2 MET 38 HB1 MET 38 -1.785 2.656 -9.189 334 HB3 MET 38 HB2 MET 38 -1.610 3.728 -7.778 335 HG2 MET 38 HG1 MET 38 -2.195 0.875 -7.213 336 HG3 MET 38 HG2 MET 38 -0.594 1.241 -7.901 337 HE1 MET 38 HE1 MET 38 1.316 3.000 -5.185 338 HE2 MET 38 HE2 MET 38 0.811 3.461 -6.828 339 HE3 MET 38 HE3 MET 38 1.369 1.803 -6.500 340 H TYR 39 HN TYR 39 -4.720 3.766 -10.094 341 HA TYR 39 HA TYR 39 -4.300 6.548 -9.680 342 HB2 TYR 39 HB1 TYR 39 -5.771 4.864 -11.649 343 HB3 TYR 39 HB2 TYR 39 -6.224 6.581 -11.525 344 HD1 TYR 39 HD1 TYR 39 -2.864 4.974 -11.220 345 HD2 TYR 39 HD2 TYR 39 -5.377 7.572 -13.464 346 HE1 TYR 39 HE1 TYR 39 -0.954 5.577 -12.649 347 HE2 TYR 39 HE2 TYR 39 -3.475 8.182 -14.900 348 HH TYR 39 HH TYR 39 -0.843 8.192 -14.561 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 17.908 16.766 8.653 2 H2 GLY 1 HT2 GLY 1 16.356 16.066 8.262 3 H3 GLY 1 HT3 GLY 1 17.729 15.030 8.570 4 HA2 GLY 1 HA1 GLY 1 17.813 15.806 10.829 5 HA3 GLY 1 HA2 GLY 1 16.431 16.846 10.518 6 H ILE 2 HN ILE 2 17.041 14.335 12.226 7 HA ILE 2 HA ILE 2 14.751 12.719 11.329 8 HB ILE 2 HB ILE 2 15.658 10.984 12.914 9 HG12 ILE 2 1HG1 ILE 2 18.118 12.749 12.856 10 HG13 ILE 2 2HG1 ILE 2 17.019 12.599 14.248 11 HG21 ILE 2 1HG2 ILE 2 17.430 10.240 11.382 12 HG22 ILE 2 2HG2 ILE 2 17.443 11.855 10.633 13 HG23 ILE 2 3HG2 ILE 2 15.995 10.827 10.508 14 HD11 ILE 2 3HD1 ILE 2 17.551 10.212 14.412 15 HD12 ILE 2 1HD1 ILE 2 19.014 11.217 14.537 16 HD13 ILE 2 2HD1 ILE 2 18.650 10.361 13.020 17 H HIS 3 HN HIS 3 15.970 14.712 13.883 18 HA HIS 3 HA HIS 3 13.710 13.986 15.611 19 HB2 HIS 3 HB1 HIS 3 14.939 15.329 17.347 20 HB3 HIS 3 HB2 HIS 3 15.784 13.869 16.781 21 HD1 HIS 3 HD1 HIS 3 16.052 17.578 16.889 22 HD2 HIS 3 HD2 HIS 3 18.082 14.380 15.182 23 HE1 HIS 3 HE1 HIS 3 18.255 18.515 16.117 24 H LYS 4 HN LYS 4 11.971 15.229 15.551 25 HA LYS 4 HA LYS 4 12.085 18.064 15.667 26 HB2 LYS 4 HB1 LYS 4 10.949 18.533 13.512 27 HB3 LYS 4 HB2 LYS 4 12.604 17.908 13.312 28 HG2 LYS 4 HG1 LYS 4 11.373 15.593 13.117 29 HG3 LYS 4 HG2 LYS 4 9.977 16.612 12.691 30 HD2 LYS 4 HD1 LYS 4 12.683 16.813 11.343 31 HD3 LYS 4 HD2 LYS 4 11.348 15.802 10.737 32 HE2 LYS 4 HE1 LYS 4 10.959 17.710 9.528 33 HE3 LYS 4 HE2 LYS 4 9.995 18.077 10.979 34 HZ1 LYS 4 HZ1 LYS 4 11.920 19.666 9.936 35 HZ2 LYS 4 HZ2 LYS 4 12.757 18.884 11.179 36 HZ3 LYS 4 HZ3 LYS 4 11.346 19.752 11.525 37 H GLN 5 HN GLN 5 9.998 19.032 15.925 38 HA GLN 5 HA GLN 5 7.823 17.098 16.367 39 HB2 GLN 5 HB1 GLN 5 7.121 18.613 18.289 40 HB3 GLN 5 HB2 GLN 5 8.569 17.610 18.548 41 HG2 GLN 5 HG1 GLN 5 10.013 19.432 18.384 42 HG3 GLN 5 HG2 GLN 5 8.799 20.442 17.562 43 HE21 GLN 5 1HE2 GLN 5 8.660 22.127 18.915 44 HE22 GLN 5 2HE2 GLN 5 8.202 22.030 20.577 45 H LYS 6 HN LYS 6 5.822 17.685 15.689 46 HA LYS 6 HA LYS 6 4.960 20.324 15.229 47 HB2 LYS 6 HB1 LYS 6 6.715 19.888 13.359 48 HB3 LYS 6 HB2 LYS 6 5.439 18.880 12.635 49 HG2 LYS 6 HG1 LYS 6 5.378 21.078 11.649 50 HG3 LYS 6 HG2 LYS 6 3.929 20.847 12.657 51 HD2 LYS 6 HD1 LYS 6 4.676 22.309 14.302 52 HD3 LYS 6 HD2 LYS 6 6.382 22.137 13.824 53 HE2 LYS 6 HE1 LYS 6 6.080 23.494 11.895 54 HE3 LYS 6 HE2 LYS 6 4.306 23.431 12.041 55 HZ1 LYS 6 HZ1 LYS 6 4.380 24.804 13.950 56 HZ2 LYS 6 HZ2 LYS 6 5.376 25.544 12.800 57 HZ3 LYS 6 HZ3 LYS 6 6.062 24.684 14.085 58 H GLU 7 HN GLU 7 2.791 20.430 14.564 59 HA GLU 7 HA GLU 7 1.434 17.816 14.458 60 HB2 GLU 7 HB1 GLU 7 -0.567 19.119 15.354 61 HB3 GLU 7 HB2 GLU 7 0.782 18.835 16.481 62 HG2 GLU 7 HG1 GLU 7 1.613 21.122 15.988 63 HG3 GLU 7 HG2 GLU 7 0.172 21.390 14.977 64 H LYS 8 HN LYS 8 1.854 17.973 12.112 65 HA LYS 8 HA LYS 8 -0.081 19.742 10.769 66 HB2 LYS 8 HB1 LYS 8 1.359 19.259 8.707 67 HB3 LYS 8 HB2 LYS 8 2.040 20.334 9.952 68 HG2 LYS 8 HG1 LYS 8 3.427 18.562 10.805 69 HG3 LYS 8 HG2 LYS 8 2.651 17.377 9.727 70 HD2 LYS 8 HD1 LYS 8 4.551 17.835 8.521 71 HD3 LYS 8 HD2 LYS 8 3.453 19.065 7.852 72 HE2 LYS 8 HE1 LYS 8 4.366 20.734 9.403 73 HE3 LYS 8 HE2 LYS 8 5.453 19.505 10.093 74 HZ1 LYS 8 HZ1 LYS 8 6.530 20.951 8.432 75 HZ2 LYS 8 HZ2 LYS 8 5.478 20.365 7.244 76 HZ3 LYS 8 HZ3 LYS 8 6.574 19.318 7.995 77 H SER 9 HN SER 9 -1.798 18.253 11.100 78 HA SER 9 HA SER 9 -1.575 15.619 9.884 79 HB2 SER 9 HB1 SER 9 -3.650 17.008 11.566 80 HB3 SER 9 HB2 SER 9 -4.068 15.536 10.655 81 HG SER 9 HG SER 9 -2.238 14.540 11.743 82 H ARG 10 HN ARG 10 -4.060 18.171 9.679 83 HA ARG 10 HA ARG 10 -5.081 17.290 7.208 84 HB2 ARG 10 HB1 ARG 10 -6.300 19.401 7.145 85 HB3 ARG 10 HB2 ARG 10 -6.360 18.687 8.774 86 HG2 ARG 10 HG1 ARG 10 -4.274 20.240 9.187 87 HG3 ARG 10 HG2 ARG 10 -4.945 21.143 7.807 88 HD2 ARG 10 HD1 ARG 10 -6.294 20.509 10.445 89 HD3 ARG 10 HD2 ARG 10 -5.837 22.108 9.809 90 HE ARG 10 HE ARG 10 -8.224 20.655 9.239 91 HH11 ARG 10 1HH1 ARG 10 -5.900 22.848 7.857 92 HH12 ARG 10 2HH1 ARG 10 -7.021 23.528 6.723 93 HH21 ARG 10 1HH2 ARG 10 -9.709 21.542 7.752 94 HH22 ARG 10 2HH2 ARG 10 -9.189 22.785 6.666 95 H LEU 11 HN LEU 11 -2.407 19.335 8.027 96 HA LEU 11 HA LEU 11 -2.165 20.618 5.488 97 HB2 LEU 11 HB1 LEU 11 0.009 20.191 7.540 98 HB3 LEU 11 HB2 LEU 11 -0.060 21.442 6.275 99 HG LEU 11 HG LEU 11 -2.042 21.307 8.545 100 HD11 LEU 11 1HD1 LEU 11 -0.716 23.043 9.651 101 HD12 LEU 11 2HD1 LEU 11 0.540 22.874 8.401 102 HD13 LEU 11 3HD1 LEU 11 0.192 21.519 9.501 103 HD21 LEU 11 3HD2 LEU 11 -1.216 23.514 6.648 104 HD22 LEU 11 1HD2 LEU 11 -2.406 23.660 7.963 105 HD23 LEU 11 2HD2 LEU 11 -2.734 22.586 6.582 106 H GLN 12 HN GLN 12 0.324 20.367 4.594 107 HA GLN 12 HA GLN 12 0.350 18.146 2.993 108 HB2 GLN 12 HB1 GLN 12 2.751 18.569 2.630 109 HB3 GLN 12 HB2 GLN 12 1.784 20.062 2.579 110 HG2 GLN 12 HG1 GLN 12 2.434 20.280 5.080 111 HG3 GLN 12 HG2 GLN 12 3.713 19.110 4.677 112 HE21 GLN 12 1HE2 GLN 12 2.347 22.234 3.727 113 HE22 GLN 12 2HE2 GLN 12 3.833 22.913 3.165 114 H GLY 13 HN GLY 13 1.668 18.486 6.240 115 HA2 GLY 13 HA1 GLY 13 3.240 16.251 6.482 116 HA3 GLY 13 HA2 GLY 13 2.239 16.877 7.783 117 H GLY 14 HN GLY 14 -0.265 16.388 6.353 118 HA2 GLY 14 HA1 GLY 14 -1.000 13.950 7.373 119 HA3 GLY 14 HA2 GLY 14 -1.797 14.706 6.001 120 H VAL 15 HN VAL 15 0.587 14.587 4.313 121 HA VAL 15 HA VAL 15 0.139 12.277 2.906 122 HB VAL 15 HB VAL 15 2.352 12.573 1.878 123 HG11 VAL 15 1HG1 VAL 15 2.024 14.861 1.042 124 HG12 VAL 15 2HG1 VAL 15 0.872 15.167 2.364 125 HG13 VAL 15 3HG1 VAL 15 0.494 13.955 1.117 126 HG21 VAL 15 3HG2 VAL 15 2.766 14.658 4.033 127 HG22 VAL 15 1HG2 VAL 15 3.841 14.375 2.643 128 HG23 VAL 15 2HG2 VAL 15 3.635 13.113 3.881 129 H LEU 16 HN LEU 16 2.177 12.732 5.714 130 HA LEU 16 HA LEU 16 3.808 10.533 5.665 131 HB2 LEU 16 HB1 LEU 16 3.235 12.444 7.492 132 HB3 LEU 16 HB2 LEU 16 2.478 11.026 8.258 133 HG LEU 16 HG LEU 16 5.317 10.860 7.319 134 HD11 LEU 16 1HD1 LEU 16 6.084 11.667 9.500 135 HD12 LEU 16 2HD1 LEU 16 4.410 12.091 9.927 136 HD13 LEU 16 3HD1 LEU 16 5.229 12.937 8.593 137 HD21 LEU 16 3HD2 LEU 16 3.780 9.626 9.616 138 HD22 LEU 16 1HD2 LEU 16 5.479 9.296 9.200 139 HD23 LEU 16 2HD2 LEU 16 4.181 8.833 8.074 140 H VAL 17 HN VAL 17 0.372 10.658 6.334 141 HA VAL 17 HA VAL 17 -0.119 8.239 7.525 142 HB VAL 17 HB VAL 17 -1.865 9.909 6.996 143 HG11 VAL 17 1HG1 VAL 17 -2.907 9.917 4.770 144 HG12 VAL 17 2HG1 VAL 17 -1.653 8.795 4.191 145 HG13 VAL 17 3HG1 VAL 17 -1.207 10.438 4.708 146 HG21 VAL 17 3HG2 VAL 17 -2.434 7.117 5.978 147 HG22 VAL 17 1HG2 VAL 17 -3.656 8.307 6.485 148 HG23 VAL 17 2HG2 VAL 17 -2.503 7.654 7.673 149 H ASN 18 HN ASN 18 0.735 8.865 4.186 150 HA ASN 18 HA ASN 18 0.022 6.535 2.928 151 HB2 ASN 18 HB1 ASN 18 2.268 8.472 2.589 152 HB3 ASN 18 HB2 ASN 18 2.373 6.924 1.716 153 HD21 ASN 18 1HD2 ASN 18 0.445 9.827 2.181 154 HD22 ASN 18 2HD2 ASN 18 -0.393 9.740 0.673 155 H GLU 19 HN GLU 19 2.643 7.065 5.189 156 HA GLU 19 HA GLU 19 4.250 4.880 4.792 157 HB2 GLU 19 HB1 GLU 19 5.080 5.207 6.922 158 HB3 GLU 19 HB2 GLU 19 4.337 6.787 6.575 159 HG2 GLU 19 HG1 GLU 19 2.246 5.776 7.736 160 HG3 GLU 19 HG2 GLU 19 3.400 4.595 8.401 161 H ILE 20 HN ILE 20 1.011 4.957 6.023 162 HA ILE 20 HA ILE 20 0.769 2.647 7.466 163 HB ILE 20 HB ILE 20 -1.109 4.163 7.075 164 HG12 ILE 20 1HG1 ILE 20 -2.599 2.005 6.070 165 HG13 ILE 20 2HG1 ILE 20 -1.209 1.274 6.909 166 HG21 ILE 20 1HG2 ILE 20 -2.383 4.077 4.975 167 HG22 ILE 20 2HG2 ILE 20 -1.152 2.990 4.288 168 HG23 ILE 20 3HG2 ILE 20 -0.721 4.661 4.723 169 HD11 ILE 20 3HD1 ILE 20 -1.774 2.532 8.937 170 HD12 ILE 20 1HD1 ILE 20 -3.129 1.510 8.404 171 HD13 ILE 20 2HD1 ILE 20 -3.163 3.262 8.098 172 H LEU 21 HN LEU 21 0.884 2.964 3.945 173 HA LEU 21 HA LEU 21 0.243 0.410 3.158 174 HB2 LEU 21 HB1 LEU 21 1.615 0.789 1.178 175 HB3 LEU 21 HB2 LEU 21 0.653 2.228 1.592 176 HG LEU 21 HG LEU 21 2.958 2.850 2.834 177 HD11 LEU 21 1HD1 LEU 21 4.845 2.254 1.389 178 HD12 LEU 21 2HD1 LEU 21 3.771 1.210 0.426 179 HD13 LEU 21 3HD1 LEU 21 4.105 0.815 2.129 180 HD21 LEU 21 3HD2 LEU 21 2.346 3.276 -0.099 181 HD22 LEU 21 1HD2 LEU 21 3.473 4.243 0.882 182 HD23 LEU 21 2HD2 LEU 21 1.733 4.254 1.255 183 H ASN 22 HN ASN 22 3.400 1.618 4.235 184 HA ASN 22 HA ASN 22 4.962 -0.604 3.783 185 HB2 ASN 22 HB1 ASN 22 5.138 1.793 5.343 186 HB3 ASN 22 HB2 ASN 22 5.722 0.427 6.323 187 HD21 ASN 22 1HD2 ASN 22 6.613 2.734 4.139 188 HD22 ASN 22 2HD2 ASN 22 8.061 2.014 3.533 189 H HIS 23 HN HIS 23 3.521 0.163 6.957 190 HA HIS 23 HA HIS 23 3.991 -2.268 8.175 191 HB2 HIS 23 HB1 HIS 23 2.896 -1.352 9.899 192 HB3 HIS 23 HB2 HIS 23 2.705 0.080 8.859 193 HD1 HIS 23 HD1 HIS 23 0.365 0.572 7.959 194 HD2 HIS 23 HD2 HIS 23 0.571 -2.967 10.127 195 HE1 HIS 23 HE1 HIS 23 -2.021 -0.134 8.324 196 H MET 24 HN MET 24 1.279 -1.309 6.124 197 HA MET 24 HA MET 24 -0.430 -3.439 6.481 198 HB2 MET 24 HB1 MET 24 -0.045 -1.362 4.539 199 HB3 MET 24 HB2 MET 24 -0.409 -2.889 3.699 200 HG2 MET 24 HG1 MET 24 -2.125 -2.309 6.024 201 HG3 MET 24 HG2 MET 24 -2.270 -1.156 4.676 202 HE1 MET 24 HE1 MET 24 -5.294 -3.869 4.565 203 HE2 MET 24 HE2 MET 24 -4.908 -2.175 4.950 204 HE3 MET 24 HE3 MET 24 -4.366 -3.479 6.033 205 H LYS 25 HN LYS 25 2.594 -3.324 4.745 206 HA LYS 25 HA LYS 25 2.464 -5.506 3.093 207 HB2 LYS 25 HB1 LYS 25 4.764 -4.565 4.818 208 HB3 LYS 25 HB2 LYS 25 4.923 -5.796 3.542 209 HG2 LYS 25 HG1 LYS 25 4.372 -4.219 1.841 210 HG3 LYS 25 HG2 LYS 25 3.890 -2.998 3.042 211 HD2 LYS 25 HD1 LYS 25 6.169 -2.774 3.811 212 HD3 LYS 25 HD2 LYS 25 6.694 -4.121 2.771 213 HE2 LYS 25 HE1 LYS 25 6.132 -2.831 0.777 214 HE3 LYS 25 HE2 LYS 25 5.528 -1.496 1.789 215 HZ1 LYS 25 HZ1 LYS 25 7.965 -1.514 0.824 216 HZ2 LYS 25 HZ2 LYS 25 8.280 -2.409 2.225 217 HZ3 LYS 25 HZ3 LYS 25 7.622 -0.854 2.344 218 H ARG 26 HN ARG 26 2.780 -5.453 6.584 219 HA ARG 26 HA ARG 26 3.615 -7.999 7.160 220 HB2 ARG 26 HB1 ARG 26 2.560 -7.792 9.279 221 HB3 ARG 26 HB2 ARG 26 3.057 -6.153 8.791 222 HG2 ARG 26 HG1 ARG 26 0.768 -5.656 8.090 223 HG3 ARG 26 HG2 ARG 26 0.263 -7.302 8.541 224 HD2 ARG 26 HD1 ARG 26 1.471 -6.463 10.843 225 HD3 ARG 26 HD2 ARG 26 0.789 -4.936 10.231 226 HE ARG 26 HE ARG 26 -0.656 -7.169 11.310 227 HH11 ARG 26 1HH1 ARG 26 -0.828 -4.473 9.114 228 HH12 ARG 26 2HH1 ARG 26 -2.552 -4.334 9.214 229 HH21 ARG 26 1HH2 ARG 26 -2.926 -6.995 11.450 230 HH22 ARG 26 2HH2 ARG 26 -3.744 -5.768 10.544 231 H ALA 27 HN ALA 27 0.478 -6.965 5.996 232 HA ALA 27 HA ALA 27 -0.767 -9.530 6.410 233 HB1 ALA 27 HB1 ALA 27 -2.679 -8.556 5.205 234 HB2 ALA 27 HB2 ALA 27 -1.697 -7.119 4.836 235 HB3 ALA 27 HB3 ALA 27 -2.112 -7.504 6.523 236 H THR 28 HN THR 28 0.610 -7.749 3.685 237 HA THR 28 HA THR 28 -0.136 -9.605 1.681 238 HB THR 28 HB THR 28 1.362 -8.450 0.217 239 HG1 THR 28 HG1 THR 28 2.711 -6.723 1.417 240 HG21 THR 28 3HG2 THR 28 -0.650 -7.200 0.846 241 HG22 THR 28 1HG2 THR 28 0.720 -6.100 0.561 242 HG23 THR 28 2HG2 THR 28 0.221 -6.487 2.225 243 H GLN 29 HN GLN 29 2.332 -9.619 4.066 244 HA GLN 29 HA GLN 29 4.223 -10.893 4.366 245 HB2 GLN 29 HB1 GLN 29 2.680 -13.200 3.246 246 HB3 GLN 29 HB2 GLN 29 3.693 -13.115 4.707 247 HG2 GLN 29 HG1 GLN 29 1.785 -11.440 5.483 248 HG3 GLN 29 HG2 GLN 29 0.832 -12.375 4.306 249 HE21 GLN 29 1HE2 GLN 29 2.633 -12.497 7.296 250 HE22 GLN 29 2HE2 GLN 29 2.009 -14.014 7.841 251 H ILE 30 HN ILE 30 4.159 -9.624 1.791 252 HA ILE 30 HA ILE 30 5.987 -11.420 0.394 253 HB ILE 30 HB ILE 30 3.915 -11.874 -0.744 254 HG12 ILE 30 1HG1 ILE 30 5.188 -9.908 -2.605 255 HG13 ILE 30 2HG1 ILE 30 6.170 -11.257 -1.985 256 HG21 ILE 30 1HG2 ILE 30 2.592 -10.102 -1.817 257 HG22 ILE 30 2HG2 ILE 30 3.667 -8.880 -1.098 258 HG23 ILE 30 3HG2 ILE 30 2.658 -9.905 -0.050 259 HD11 ILE 30 3HD1 ILE 30 4.541 -12.856 -2.881 260 HD12 ILE 30 1HD1 ILE 30 5.187 -11.797 -4.157 261 HD13 ILE 30 2HD1 ILE 30 3.558 -11.507 -3.500 262 HA PRO 31 HA PRO 31 7.489 -7.047 0.654 263 HB2 PRO 31 HB1 PRO 31 10.031 -7.731 1.404 264 HB3 PRO 31 HB2 PRO 31 8.704 -7.525 2.572 265 HG2 PRO 31 HG1 PRO 31 9.819 -10.047 1.373 266 HG3 PRO 31 HG2 PRO 31 9.351 -9.708 3.057 267 HD2 PRO 31 HD1 PRO 31 7.747 -11.089 1.346 268 HD3 PRO 31 HD2 PRO 31 7.093 -10.045 2.632 269 H SER 32 HN SER 32 9.890 -6.402 -0.214 270 HA SER 32 HA SER 32 10.214 -7.750 -2.813 271 HB2 SER 32 HB1 SER 32 10.819 -5.490 -3.748 272 HB3 SER 32 HB2 SER 32 9.117 -5.657 -3.253 273 HG SER 32 HG SER 32 10.096 -3.692 -2.513 274 H TYR 33 HN TYR 33 11.649 -8.052 -0.237 275 HA TYR 33 HA TYR 33 14.106 -6.797 -0.145 276 HB2 TYR 33 HB1 TYR 33 14.873 -8.588 1.214 277 HB3 TYR 33 HB2 TYR 33 13.135 -8.395 1.547 278 HD1 TYR 33 HD2 TYR 33 11.566 -9.929 0.063 279 HD2 TYR 33 HD1 TYR 33 15.675 -10.727 0.821 280 HE1 TYR 33 HE2 TYR 33 11.196 -12.303 -0.462 281 HE2 TYR 33 HE1 TYR 33 15.317 -13.103 0.297 282 HH TYR 33 HH TYR 33 12.367 -14.537 0.185 283 H LYS 34 HN LYS 34 13.106 -9.573 -2.079 284 HA LYS 34 HA LYS 34 14.178 -10.778 -3.702 285 HB2 LYS 34 HB1 LYS 34 15.235 -8.019 -4.373 286 HB3 LYS 34 HB2 LYS 34 15.165 -9.412 -5.479 287 HG2 LYS 34 HG1 LYS 34 12.749 -8.114 -4.199 288 HG3 LYS 34 HG2 LYS 34 13.356 -7.736 -5.829 289 HD2 LYS 34 HD1 LYS 34 12.739 -10.578 -5.047 290 HD3 LYS 34 HD2 LYS 34 11.436 -9.475 -5.549 291 HE2 LYS 34 HE1 LYS 34 12.980 -8.979 -7.588 292 HE3 LYS 34 HE2 LYS 34 13.783 -10.502 -7.133 293 HZ1 LYS 34 HZ1 LYS 34 12.023 -10.807 -8.795 294 HZ2 LYS 34 HZ2 LYS 34 10.876 -10.215 -7.703 295 HZ3 LYS 34 HZ3 LYS 34 11.697 -11.656 -7.368 296 H LYS 35 HN LYS 35 15.552 -11.952 -2.276 297 HA LYS 35 HA LYS 35 18.182 -10.991 -1.650 298 HB2 LYS 35 HB1 LYS 35 17.175 -12.487 -0.087 299 HB3 LYS 35 HB2 LYS 35 16.841 -13.684 -1.362 300 HG2 LYS 35 HG1 LYS 35 18.705 -14.387 0.048 301 HG3 LYS 35 HG2 LYS 35 19.242 -14.083 -1.622 302 HD2 LYS 35 HD1 LYS 35 20.183 -11.959 -1.005 303 HD3 LYS 35 HD2 LYS 35 19.477 -12.064 0.626 304 HE2 LYS 35 HE1 LYS 35 21.623 -12.744 1.075 305 HE3 LYS 35 HE2 LYS 35 20.867 -14.316 0.715 306 HZ1 LYS 35 HZ1 LYS 35 23.107 -13.555 -0.417 307 HZ2 LYS 35 HZ2 LYS 35 22.048 -12.825 -1.515 308 HZ3 LYS 35 HZ3 LYS 35 21.970 -14.493 -1.247 309 H LEU 36 HN LEU 36 16.736 -12.827 -4.212 310 HA LEU 36 HA LEU 36 19.010 -14.142 -5.202 311 HB2 LEU 36 HB1 LEU 36 16.782 -14.742 -5.925 312 HB3 LEU 36 HB2 LEU 36 16.550 -13.125 -6.633 313 HG LEU 36 HG LEU 36 18.313 -13.639 -8.289 314 HD11 LEU 36 1HD1 LEU 36 19.094 -15.946 -8.552 315 HD12 LEU 36 2HD1 LEU 36 18.236 -16.402 -7.061 316 HD13 LEU 36 3HD1 LEU 36 19.597 -15.257 -6.990 317 HD21 LEU 36 3HD2 LEU 36 16.051 -15.646 -8.169 318 HD22 LEU 36 1HD2 LEU 36 16.992 -15.219 -9.618 319 HD23 LEU 36 2HD2 LEU 36 15.959 -13.999 -8.837 320 H ILE 37 HN ILE 37 17.887 -10.857 -5.532 321 HA ILE 37 HA ILE 37 20.202 -10.277 -7.263 322 HB ILE 37 HB ILE 37 17.674 -8.640 -7.072 323 HG12 ILE 37 1HG1 ILE 37 17.219 -10.861 -8.033 324 HG13 ILE 37 2HG1 ILE 37 17.054 -9.564 -9.240 325 HG21 ILE 37 1HG2 ILE 37 18.531 -7.554 -9.106 326 HG22 ILE 37 2HG2 ILE 37 19.999 -8.554 -9.005 327 HG23 ILE 37 3HG2 ILE 37 19.643 -7.366 -7.729 328 HD11 ILE 37 3HD1 ILE 37 19.272 -10.111 -10.131 329 HD12 ILE 37 1HD1 ILE 37 18.182 -11.517 -10.181 330 HD13 ILE 37 2HD1 ILE 37 19.437 -11.409 -8.923 331 H MET 38 HN MET 38 21.716 -8.968 -6.470 332 HA MET 38 HA MET 38 21.265 -7.718 -3.877 333 HB2 MET 38 HB1 MET 38 23.745 -8.181 -5.541 334 HB3 MET 38 HB2 MET 38 23.751 -7.232 -4.034 335 HG2 MET 38 HG1 MET 38 22.606 -9.395 -3.055 336 HG3 MET 38 HG2 MET 38 23.392 -10.172 -4.451 337 HE1 MET 38 HE1 MET 38 27.147 -9.791 -3.784 338 HE2 MET 38 HE2 MET 38 26.091 -8.932 -4.930 339 HE3 MET 38 HE3 MET 38 25.872 -10.677 -4.655 340 H TYR 39 HN TYR 39 21.646 -6.877 -7.218 341 HA TYR 39 HA TYR 39 22.197 -4.090 -6.703 342 HB2 TYR 39 HB1 TYR 39 21.661 -5.706 -9.190 343 HB3 TYR 39 HB2 TYR 39 21.751 -3.928 -9.234 344 HD1 TYR 39 HD2 TYR 39 23.742 -6.742 -7.739 345 HD2 TYR 39 HD1 TYR 39 23.786 -3.082 -9.908 346 HE1 TYR 39 HE2 TYR 39 26.193 -6.874 -7.901 347 HE2 TYR 39 HE1 TYR 39 26.238 -3.204 -10.076 348 HH TYR 39 HH TYR 39 27.975 -5.663 -9.845 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 16.652 9.944 13.019 2 H2 GLY 1 HT2 GLY 1 15.244 10.957 13.225 3 H3 GLY 1 HT3 GLY 1 15.992 10.208 14.615 4 HA2 GLY 1 HA1 GLY 1 17.971 11.495 14.249 5 HA3 GLY 1 HA2 GLY 1 17.218 12.249 12.852 6 H ILE 2 HN ILE 2 17.963 12.745 15.984 7 HA ILE 2 HA ILE 2 15.548 14.245 16.658 8 HB ILE 2 HB ILE 2 16.565 12.816 18.394 9 HG12 ILE 2 1HG1 ILE 2 16.711 14.596 20.180 10 HG13 ILE 2 2HG1 ILE 2 16.586 15.802 18.877 11 HG21 ILE 2 1HG2 ILE 2 18.689 13.482 19.438 12 HG22 ILE 2 2HG2 ILE 2 18.893 14.736 18.192 13 HG23 ILE 2 3HG2 ILE 2 18.900 13.016 17.734 14 HD11 ILE 2 3HD1 ILE 2 14.395 14.896 18.249 15 HD12 ILE 2 1HD1 ILE 2 14.421 15.422 19.949 16 HD13 ILE 2 2HD1 ILE 2 14.520 13.690 19.552 17 H HIS 3 HN HIS 3 15.440 16.428 16.751 18 HA HIS 3 HA HIS 3 17.841 18.045 16.600 19 HB2 HIS 3 HB1 HIS 3 17.090 19.281 14.600 20 HB3 HIS 3 HB2 HIS 3 17.454 17.574 14.250 21 HD1 HIS 3 HD1 HIS 3 14.500 19.903 14.714 22 HD2 HIS 3 HD2 HIS 3 15.364 16.138 13.187 23 HE1 HIS 3 HE1 HIS 3 12.401 19.151 13.552 24 H LYS 4 HN LYS 4 17.496 20.234 17.134 25 HA LYS 4 HA LYS 4 14.882 20.744 18.390 26 HB2 LYS 4 HB1 LYS 4 17.151 20.653 19.723 27 HB3 LYS 4 HB2 LYS 4 17.341 22.305 19.089 28 HG2 LYS 4 HG1 LYS 4 14.956 22.682 20.045 29 HG3 LYS 4 HG2 LYS 4 15.294 21.220 21.003 30 HD2 LYS 4 HD1 LYS 4 17.197 23.566 20.913 31 HD3 LYS 4 HD2 LYS 4 15.850 23.480 22.073 32 HE2 LYS 4 HE1 LYS 4 17.581 22.563 23.303 33 HE3 LYS 4 HE2 LYS 4 16.829 21.109 22.604 34 HZ1 LYS 4 HZ1 LYS 4 18.792 22.147 20.842 35 HZ2 LYS 4 HZ2 LYS 4 18.717 20.626 21.577 36 HZ3 LYS 4 HZ3 LYS 4 19.469 21.914 22.374 37 H GLN 5 HN GLN 5 13.900 21.615 16.547 38 HA GLN 5 HA GLN 5 14.579 24.391 16.058 39 HB2 GLN 5 HB1 GLN 5 14.703 22.256 13.938 40 HB3 GLN 5 HB2 GLN 5 14.351 23.951 13.526 41 HG2 GLN 5 HG1 GLN 5 16.513 24.486 14.836 42 HG3 GLN 5 HG2 GLN 5 16.868 22.751 14.656 43 HE21 GLN 5 1HE2 GLN 5 16.875 25.812 13.164 44 HE22 GLN 5 2HE2 GLN 5 17.418 25.313 11.602 45 H LYS 6 HN LYS 6 12.855 25.622 15.319 46 HA LYS 6 HA LYS 6 10.287 24.792 16.029 47 HB2 LYS 6 HB1 LYS 6 11.161 27.168 15.765 48 HB3 LYS 6 HB2 LYS 6 10.884 26.967 14.018 49 HG2 LYS 6 HG1 LYS 6 8.925 27.977 14.633 50 HG3 LYS 6 HG2 LYS 6 8.469 26.266 14.815 51 HD2 LYS 6 HD1 LYS 6 9.663 27.698 17.160 52 HD3 LYS 6 HD2 LYS 6 7.972 28.036 16.720 53 HE2 LYS 6 HE1 LYS 6 7.863 25.375 16.620 54 HE3 LYS 6 HE2 LYS 6 9.223 25.529 17.758 55 HZ1 LYS 6 HZ1 LYS 6 6.833 27.152 18.255 56 HZ2 LYS 6 HZ2 LYS 6 7.901 26.433 19.352 57 HZ3 LYS 6 HZ3 LYS 6 6.732 25.493 18.570 58 H GLU 7 HN GLU 7 8.758 23.651 15.025 59 HA GLU 7 HA GLU 7 9.169 23.001 12.183 60 HB2 GLU 7 HB1 GLU 7 7.793 21.453 14.389 61 HB3 GLU 7 HB2 GLU 7 7.730 20.995 12.670 62 HG2 GLU 7 HG1 GLU 7 10.123 20.672 12.623 63 HG3 GLU 7 HG2 GLU 7 10.268 21.262 14.296 64 H LYS 8 HN LYS 8 7.228 22.690 10.878 65 HA LYS 8 HA LYS 8 4.661 23.484 11.679 66 HB2 LYS 8 HB1 LYS 8 6.194 25.674 11.680 67 HB3 LYS 8 HB2 LYS 8 5.775 25.639 9.950 68 HG2 LYS 8 HG1 LYS 8 3.976 25.977 12.338 69 HG3 LYS 8 HG2 LYS 8 4.138 27.004 10.893 70 HD2 LYS 8 HD1 LYS 8 3.267 24.968 9.582 71 HD3 LYS 8 HD2 LYS 8 2.776 24.323 11.167 72 HE2 LYS 8 HE1 LYS 8 1.938 27.012 10.035 73 HE3 LYS 8 HE2 LYS 8 0.946 25.534 10.010 74 HZ1 LYS 8 HZ1 LYS 8 0.195 26.615 11.879 75 HZ2 LYS 8 HZ2 LYS 8 1.718 27.216 12.306 76 HZ3 LYS 8 HZ3 LYS 8 1.355 25.582 12.550 77 H SER 9 HN SER 9 3.589 22.177 10.353 78 HA SER 9 HA SER 9 4.033 22.436 7.470 79 HB2 SER 9 HB1 SER 9 3.795 19.752 8.865 80 HB3 SER 9 HB2 SER 9 4.033 20.032 7.123 81 HG SER 9 HG SER 9 5.936 19.584 8.686 82 H ARG 10 HN ARG 10 2.255 21.188 6.257 83 HA ARG 10 HA ARG 10 -0.270 22.115 7.280 84 HB2 ARG 10 HB1 ARG 10 0.472 22.211 4.853 85 HB3 ARG 10 HB2 ARG 10 0.192 20.454 4.798 86 HG2 ARG 10 HG1 ARG 10 -2.155 20.773 5.312 87 HG3 ARG 10 HG2 ARG 10 -1.904 22.525 5.505 88 HD2 ARG 10 HD1 ARG 10 -2.887 21.795 3.292 89 HD3 ARG 10 HD2 ARG 10 -1.425 22.805 3.192 90 HE ARG 10 HE ARG 10 -0.844 19.997 3.146 91 HH11 ARG 10 1HH1 ARG 10 -1.841 22.714 1.211 92 HH12 ARG 10 2HH1 ARG 10 -1.240 22.045 -0.270 93 HH21 ARG 10 1HH2 ARG 10 -0.049 19.106 1.202 94 HH22 ARG 10 2HH2 ARG 10 -0.222 19.994 -0.274 95 H LEU 11 HN LEU 11 -1.873 20.952 8.178 96 HA LEU 11 HA LEU 11 -1.303 18.236 8.971 97 HB2 LEU 11 HB1 LEU 11 -3.339 18.391 10.288 98 HB3 LEU 11 HB2 LEU 11 -2.298 19.810 10.553 99 HG LEU 11 HG LEU 11 -3.922 20.781 8.634 100 HD11 LEU 11 1HD1 LEU 11 -6.224 20.088 9.102 101 HD12 LEU 11 2HD1 LEU 11 -5.618 18.832 10.207 102 HD13 LEU 11 3HD1 LEU 11 -5.249 18.741 8.468 103 HD21 LEU 11 3HD2 LEU 11 -4.521 20.685 11.599 104 HD22 LEU 11 1HD2 LEU 11 -5.169 21.871 10.441 105 HD23 LEU 11 2HD2 LEU 11 -3.424 21.826 10.785 106 H GLN 12 HN GLN 12 -3.641 19.898 6.903 107 HA GLN 12 HA GLN 12 -5.373 17.871 6.279 108 HB2 GLN 12 HB1 GLN 12 -4.224 19.984 4.443 109 HB3 GLN 12 HB2 GLN 12 -5.629 18.965 4.046 110 HG2 GLN 12 HG1 GLN 12 -6.958 19.959 5.715 111 HG3 GLN 12 HG2 GLN 12 -5.549 20.702 6.510 112 HE21 GLN 12 1HE2 GLN 12 -5.090 22.733 6.025 113 HE22 GLN 12 2HE2 GLN 12 -5.737 23.630 4.697 114 H GLY 13 HN GLY 13 -2.377 18.630 4.487 115 HA2 GLY 13 HA1 GLY 13 -2.395 16.590 2.655 116 HA3 GLY 13 HA2 GLY 13 -0.925 17.244 3.362 117 H GLY 14 HN GLY 14 -0.860 16.417 5.875 118 HA2 GLY 14 HA1 GLY 14 -0.065 14.565 7.018 119 HA3 GLY 14 HA2 GLY 14 -1.707 14.006 6.739 120 H VAL 15 HN VAL 15 0.685 14.517 4.217 121 HA VAL 15 HA VAL 15 0.264 12.171 2.860 122 HB VAL 15 HB VAL 15 2.466 12.451 1.841 123 HG11 VAL 15 1HG1 VAL 15 2.194 14.747 1.005 124 HG12 VAL 15 2HG1 VAL 15 1.049 15.080 2.326 125 HG13 VAL 15 3HG1 VAL 15 0.642 13.880 1.077 126 HG21 VAL 15 3HG2 VAL 15 2.924 14.527 3.995 127 HG22 VAL 15 1HG2 VAL 15 3.996 14.215 2.610 128 HG23 VAL 15 2HG2 VAL 15 3.756 12.961 3.849 129 H LEU 16 HN LEU 16 2.237 12.699 5.699 130 HA LEU 16 HA LEU 16 3.876 10.504 5.740 131 HB2 LEU 16 HB1 LEU 16 2.868 12.384 7.627 132 HB3 LEU 16 HB2 LEU 16 2.764 10.760 8.351 133 HG LEU 16 HG LEU 16 5.285 11.972 7.200 134 HD11 LEU 16 1HD1 LEU 16 5.994 12.248 9.529 135 HD12 LEU 16 2HD1 LEU 16 4.391 11.702 10.077 136 HD13 LEU 16 3HD1 LEU 16 4.549 13.220 9.162 137 HD21 LEU 16 3HD2 LEU 16 4.807 9.486 8.857 138 HD22 LEU 16 1HD2 LEU 16 6.394 10.116 8.355 139 HD23 LEU 16 2HD2 LEU 16 5.242 9.531 7.132 140 H VAL 17 HN VAL 17 0.424 10.630 6.298 141 HA VAL 17 HA VAL 17 -0.099 8.249 7.548 142 HB VAL 17 HB VAL 17 -1.835 9.886 6.912 143 HG11 VAL 17 1HG1 VAL 17 -2.792 9.834 4.650 144 HG12 VAL 17 2HG1 VAL 17 -1.512 8.706 4.145 145 HG13 VAL 17 3HG1 VAL 17 -1.093 10.364 4.639 146 HG21 VAL 17 3HG2 VAL 17 -2.350 7.066 5.940 147 HG22 VAL 17 1HG2 VAL 17 -3.598 8.259 6.373 148 HG23 VAL 17 2HG2 VAL 17 -2.486 7.642 7.618 149 H ASN 18 HN ASN 18 0.885 8.773 4.229 150 HA ASN 18 HA ASN 18 0.221 6.411 3.008 151 HB2 ASN 18 HB1 ASN 18 1.803 6.906 1.391 152 HB3 ASN 18 HB2 ASN 18 1.556 8.498 2.148 153 HD21 ASN 18 1HD2 ASN 18 3.249 9.502 3.032 154 HD22 ASN 18 2HD2 ASN 18 4.831 8.829 3.204 155 H GLU 19 HN GLU 19 2.687 6.976 5.414 156 HA GLU 19 HA GLU 19 4.331 4.798 5.152 157 HB2 GLU 19 HB1 GLU 19 4.966 5.102 7.375 158 HB3 GLU 19 HB2 GLU 19 4.356 6.704 6.894 159 HG2 GLU 19 HG1 GLU 19 2.093 5.773 7.866 160 HG3 GLU 19 HG2 GLU 19 3.180 4.680 8.756 161 H ILE 20 HN ILE 20 1.034 4.889 6.288 162 HA ILE 20 HA ILE 20 0.764 2.534 7.664 163 HB ILE 20 HB ILE 20 -1.094 4.087 7.332 164 HG12 ILE 20 1HG1 ILE 20 -2.643 2.024 6.270 165 HG13 ILE 20 2HG1 ILE 20 -1.245 1.200 7.003 166 HG21 ILE 20 1HG2 ILE 20 -2.367 4.098 5.229 167 HG22 ILE 20 2HG2 ILE 20 -1.150 3.023 4.501 168 HG23 ILE 20 3HG2 ILE 20 -0.697 4.670 5.001 169 HD11 ILE 20 3HD1 ILE 20 -1.696 2.330 9.133 170 HD12 ILE 20 1HD1 ILE 20 -3.100 1.384 8.585 171 HD13 ILE 20 2HD1 ILE 20 -3.093 3.154 8.400 172 H LEU 21 HN LEU 21 0.787 2.968 4.145 173 HA LEU 21 HA LEU 21 0.153 0.432 3.303 174 HB2 LEU 21 HB1 LEU 21 2.316 2.170 2.108 175 HB3 LEU 21 HB2 LEU 21 1.397 0.889 1.281 176 HG LEU 21 HG LEU 21 0.466 3.625 2.126 177 HD11 LEU 21 1HD1 LEU 21 -0.204 3.771 -0.225 178 HD12 LEU 21 2HD1 LEU 21 0.412 2.124 -0.499 179 HD13 LEU 21 3HD1 LEU 21 1.535 3.432 -0.057 180 HD21 LEU 21 3HD2 LEU 21 -1.251 1.286 1.265 181 HD22 LEU 21 1HD2 LEU 21 -1.803 2.965 1.471 182 HD23 LEU 21 2HD2 LEU 21 -1.232 2.038 2.878 183 H ASN 22 HN ASN 22 3.367 1.649 4.212 184 HA ASN 22 HA ASN 22 4.909 -0.558 3.675 185 HB2 ASN 22 HB1 ASN 22 5.140 1.811 5.281 186 HB3 ASN 22 HB2 ASN 22 5.798 0.426 6.186 187 HD21 ASN 22 1HD2 ASN 22 6.614 2.838 4.158 188 HD22 ASN 22 2HD2 ASN 22 8.000 2.144 3.395 189 H HIS 23 HN HIS 23 3.574 0.149 6.911 190 HA HIS 23 HA HIS 23 4.128 -2.297 8.074 191 HB2 HIS 23 HB1 HIS 23 3.110 -1.410 9.857 192 HB3 HIS 23 HB2 HIS 23 2.848 0.031 8.844 193 HD1 HIS 23 HD1 HIS 23 0.459 0.498 8.068 194 HD2 HIS 23 HD2 HIS 23 0.823 -3.066 10.172 195 HE1 HIS 23 HE1 HIS 23 -1.895 -0.249 8.538 196 H MET 24 HN MET 24 1.324 -1.329 6.158 197 HA MET 24 HA MET 24 -0.353 -3.478 6.554 198 HB2 MET 24 HB1 MET 24 -0.064 -1.370 4.626 199 HB3 MET 24 HB2 MET 24 -0.456 -2.888 3.783 200 HG2 MET 24 HG1 MET 24 -2.069 -2.332 6.192 201 HG3 MET 24 HG2 MET 24 -2.288 -1.186 4.847 202 HE1 MET 24 HE1 MET 24 -4.884 -4.548 5.250 203 HE2 MET 24 HE2 MET 24 -4.680 -2.929 5.958 204 HE3 MET 24 HE3 MET 24 -3.589 -4.252 6.434 205 H LYS 25 HN LYS 25 2.595 -3.313 4.697 206 HA LYS 25 HA LYS 25 2.412 -5.470 3.016 207 HB2 LYS 25 HB1 LYS 25 4.367 -3.825 3.430 208 HB3 LYS 25 HB2 LYS 25 4.900 -5.011 4.647 209 HG2 LYS 25 HG1 LYS 25 4.945 -6.747 2.876 210 HG3 LYS 25 HG2 LYS 25 4.523 -5.497 1.681 211 HD2 LYS 25 HD1 LYS 25 6.900 -5.127 3.488 212 HD3 LYS 25 HD2 LYS 25 7.025 -6.155 2.039 213 HE2 LYS 25 HE1 LYS 25 7.641 -4.153 1.122 214 HE3 LYS 25 HE2 LYS 25 5.878 -4.040 0.898 215 HZ1 LYS 25 HZ1 LYS 25 5.676 -2.552 2.638 216 HZ2 LYS 25 HZ2 LYS 25 7.131 -2.065 1.928 217 HZ3 LYS 25 HZ3 LYS 25 7.150 -2.984 3.347 218 H ARG 26 HN ARG 26 2.893 -5.474 6.491 219 HA ARG 26 HA ARG 26 3.753 -8.028 6.982 220 HB2 ARG 26 HB1 ARG 26 3.319 -6.253 8.691 221 HB3 ARG 26 HB2 ARG 26 1.582 -6.616 8.551 222 HG2 ARG 26 HG1 ARG 26 1.858 -8.777 9.474 223 HG3 ARG 26 HG2 ARG 26 3.628 -8.711 9.295 224 HD2 ARG 26 HD1 ARG 26 2.227 -6.664 10.989 225 HD3 ARG 26 HD2 ARG 26 2.507 -8.299 11.635 226 HE ARG 26 HE ARG 26 4.450 -6.236 11.278 227 HH11 ARG 26 1HH1 ARG 26 3.989 -9.687 11.243 228 HH12 ARG 26 2HH1 ARG 26 5.635 -10.042 11.651 229 HH21 ARG 26 1HH2 ARG 26 6.620 -6.691 11.816 230 HH22 ARG 26 2HH2 ARG 26 7.130 -8.337 11.978 231 H ALA 27 HN ALA 27 0.526 -6.968 6.078 232 HA ALA 27 HA ALA 27 -0.605 -9.612 6.410 233 HB1 ALA 27 HB1 ALA 27 -2.682 -8.596 5.565 234 HB2 ALA 27 HB2 ALA 27 -1.796 -7.087 5.244 235 HB3 ALA 27 HB3 ALA 27 -1.983 -7.671 6.915 236 H THR 28 HN THR 28 0.525 -7.550 3.799 237 HA THR 28 HA THR 28 -0.486 -9.104 1.659 238 HB THR 28 HB THR 28 0.901 -7.816 0.214 239 HG1 THR 28 HG1 THR 28 2.498 -7.593 2.497 240 HG21 THR 28 3HG2 THR 28 -0.935 -6.561 1.239 241 HG22 THR 28 1HG2 THR 28 0.469 -5.508 0.942 242 HG23 THR 28 2HG2 THR 28 0.131 -6.097 2.587 243 H GLN 29 HN GLN 29 2.231 -9.466 3.750 244 HA GLN 29 HA GLN 29 3.719 -11.194 1.993 245 HB2 GLN 29 HB1 GLN 29 5.290 -11.413 3.757 246 HB3 GLN 29 HB2 GLN 29 4.729 -9.723 3.784 247 HG2 GLN 29 HG1 GLN 29 4.190 -9.950 5.918 248 HG3 GLN 29 HG2 GLN 29 3.010 -11.208 5.478 249 HE21 GLN 29 1HE2 GLN 29 4.671 -13.218 4.628 250 HE22 GLN 29 2HE2 GLN 29 5.620 -13.791 5.952 251 H ILE 30 HN ILE 30 0.921 -11.606 3.663 252 HA ILE 30 HA ILE 30 -0.330 -13.424 4.219 253 HB ILE 30 HB ILE 30 1.827 -15.112 2.956 254 HG12 ILE 30 1HG1 ILE 30 -0.569 -13.794 1.650 255 HG13 ILE 30 2HG1 ILE 30 1.130 -13.313 1.424 256 HG21 ILE 30 1HG2 ILE 30 -0.024 -16.671 2.520 257 HG22 ILE 30 2HG2 ILE 30 -1.136 -15.569 3.366 258 HG23 ILE 30 3HG2 ILE 30 0.187 -16.357 4.259 259 HD11 ILE 30 3HD1 ILE 30 1.615 -15.497 0.419 260 HD12 ILE 30 1HD1 ILE 30 0.325 -14.644 -0.461 261 HD13 ILE 30 2HD1 ILE 30 -0.083 -15.978 0.644 262 HA PRO 31 HA PRO 31 2.444 -14.103 7.874 263 HB2 PRO 31 HB1 PRO 31 0.611 -13.236 9.713 264 HB3 PRO 31 HB2 PRO 31 1.724 -12.134 8.867 265 HG2 PRO 31 HG1 PRO 31 -1.158 -12.758 8.281 266 HG3 PRO 31 HG2 PRO 31 -0.321 -11.187 8.286 267 HD2 PRO 31 HD1 PRO 31 -0.858 -12.545 5.990 268 HD3 PRO 31 HD2 PRO 31 0.583 -11.517 6.172 269 H SER 32 HN SER 32 2.478 -15.977 8.974 270 HA SER 32 HA SER 32 -0.031 -17.507 9.187 271 HB2 SER 32 HB1 SER 32 1.646 -19.540 9.090 272 HB3 SER 32 HB2 SER 32 1.079 -18.765 7.591 273 HG SER 32 HG SER 32 3.485 -18.048 8.933 274 H TYR 33 HN TYR 33 1.348 -15.713 11.098 275 HA TYR 33 HA TYR 33 2.488 -17.424 13.116 276 HB2 TYR 33 HB1 TYR 33 2.703 -15.423 14.451 277 HB3 TYR 33 HB2 TYR 33 3.226 -15.080 12.784 278 HD1 TYR 33 HD2 TYR 33 0.641 -14.447 15.326 279 HD2 TYR 33 HD1 TYR 33 1.944 -13.583 11.369 280 HE1 TYR 33 HE2 TYR 33 -0.934 -12.560 15.225 281 HE2 TYR 33 HE1 TYR 33 0.374 -11.693 11.258 282 HH TYR 33 HH TYR 33 -1.891 -11.029 13.892 283 H LYS 34 HN LYS 34 1.474 -16.535 15.467 284 HA LYS 34 HA LYS 34 -1.003 -17.975 15.625 285 HB2 LYS 34 HB1 LYS 34 -0.880 -17.430 18.051 286 HB3 LYS 34 HB2 LYS 34 0.586 -18.217 17.419 287 HG2 LYS 34 HG1 LYS 34 0.620 -15.266 17.366 288 HG3 LYS 34 HG2 LYS 34 0.574 -16.000 18.988 289 HD2 LYS 34 HD1 LYS 34 2.453 -17.558 17.853 290 HD3 LYS 34 HD2 LYS 34 2.702 -16.069 16.910 291 HE2 LYS 34 HE1 LYS 34 2.766 -14.839 19.144 292 HE3 LYS 34 HE2 LYS 34 2.877 -16.444 19.908 293 HZ1 LYS 34 HZ1 LYS 34 5.026 -16.528 19.431 294 HZ2 LYS 34 HZ2 LYS 34 4.951 -14.929 18.884 295 HZ3 LYS 34 HZ3 LYS 34 4.757 -16.207 17.792 296 H LYS 35 HN LYS 35 -1.926 -16.294 14.026 297 HA LYS 35 HA LYS 35 -2.632 -13.718 14.918 298 HB2 LYS 35 HB1 LYS 35 -3.992 -15.505 12.885 299 HB3 LYS 35 HB2 LYS 35 -4.311 -13.766 13.099 300 HG2 LYS 35 HG1 LYS 35 -2.386 -13.144 12.070 301 HG3 LYS 35 HG2 LYS 35 -1.489 -14.574 12.635 302 HD2 LYS 35 HD1 LYS 35 -3.708 -15.037 10.701 303 HD3 LYS 35 HD2 LYS 35 -2.241 -14.242 10.081 304 HE2 LYS 35 HE1 LYS 35 -1.806 -16.511 9.743 305 HE3 LYS 35 HE2 LYS 35 -0.966 -16.155 11.272 306 HZ1 LYS 35 HZ1 LYS 35 -2.384 -17.433 12.444 307 HZ2 LYS 35 HZ2 LYS 35 -2.618 -18.207 10.959 308 HZ3 LYS 35 HZ3 LYS 35 -3.730 -17.051 11.494 309 H LEU 36 HN LEU 36 -4.912 -16.408 14.397 310 HA LEU 36 HA LEU 36 -6.320 -15.563 16.843 311 HB2 LEU 36 HB1 LEU 36 -7.260 -15.654 14.143 312 HB3 LEU 36 HB2 LEU 36 -8.136 -16.874 15.099 313 HG LEU 36 HG LEU 36 -8.826 -15.120 16.676 314 HD11 LEU 36 1HD1 LEU 36 -8.469 -12.759 16.129 315 HD12 LEU 36 2HD1 LEU 36 -7.444 -13.237 14.755 316 HD13 LEU 36 3HD1 LEU 36 -6.930 -13.605 16.418 317 HD21 LEU 36 3HD2 LEU 36 -9.453 -14.496 13.782 318 HD22 LEU 36 1HD2 LEU 36 -10.403 -13.970 15.192 319 HD23 LEU 36 2HD2 LEU 36 -10.277 -15.701 14.800 320 H ILE 37 HN ILE 37 -6.449 -18.288 14.543 321 HA ILE 37 HA ILE 37 -6.410 -20.111 16.855 322 HB ILE 37 HB ILE 37 -7.402 -21.793 15.285 323 HG12 ILE 37 1HG1 ILE 37 -7.831 -19.367 13.523 324 HG13 ILE 37 2HG1 ILE 37 -6.650 -20.660 13.202 325 HG21 ILE 37 1HG2 ILE 37 -9.674 -20.855 15.378 326 HG22 ILE 37 2HG2 ILE 37 -8.985 -19.255 15.740 327 HG23 ILE 37 3HG2 ILE 37 -8.781 -20.593 16.895 328 HD11 ILE 37 3HD1 ILE 37 -8.477 -22.286 13.029 329 HD12 ILE 37 1HD1 ILE 37 -8.676 -20.953 11.866 330 HD13 ILE 37 2HD1 ILE 37 -9.658 -20.993 13.350 331 H MET 38 HN MET 38 -5.672 -22.437 15.939 332 HA MET 38 HA MET 38 -2.950 -21.986 14.954 333 HB2 MET 38 HB1 MET 38 -2.415 -24.174 15.850 334 HB3 MET 38 HB2 MET 38 -3.229 -23.192 17.092 335 HG2 MET 38 HG1 MET 38 -5.354 -24.360 16.551 336 HG3 MET 38 HG2 MET 38 -4.452 -25.403 15.426 337 HE1 MET 38 HE1 MET 38 -4.475 -25.581 20.012 338 HE2 MET 38 HE2 MET 38 -5.727 -24.895 18.950 339 HE3 MET 38 HE3 MET 38 -4.178 -24.045 19.163 340 H TYR 39 HN TYR 39 -5.891 -23.783 14.259 341 HA TYR 39 HA TYR 39 -4.975 -25.486 12.269 342 HB2 TYR 39 HB1 TYR 39 -7.618 -24.183 12.830 343 HB3 TYR 39 HB2 TYR 39 -7.395 -25.116 11.330 344 HD1 TYR 39 HD1 TYR 39 -6.714 -25.484 15.004 345 HD2 TYR 39 HD2 TYR 39 -7.992 -27.346 11.398 346 HE1 TYR 39 HE1 TYR 39 -7.149 -27.565 16.239 347 HE2 TYR 39 HE2 TYR 39 -8.432 -29.432 12.624 348 HH TYR 39 HH TYR 39 -9.003 -29.976 15.187 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -22.666 22.783 -6.805 2 H2 GLY 1 HT2 GLY 1 -22.892 21.084 -6.466 3 H3 GLY 1 HT3 GLY 1 -21.522 21.612 -7.413 4 HA2 GLY 1 HA1 GLY 1 -20.664 22.791 -5.519 5 HA3 GLY 1 HA2 GLY 1 -22.043 22.258 -4.568 6 H ILE 2 HN ILE 2 -20.146 21.472 -3.239 7 HA ILE 2 HA ILE 2 -18.824 19.092 -4.217 8 HB ILE 2 HB ILE 2 -17.667 20.705 -2.719 9 HG12 ILE 2 1HG1 ILE 2 -16.867 18.894 -1.055 10 HG13 ILE 2 2HG1 ILE 2 -17.999 17.822 -1.914 11 HG21 ILE 2 1HG2 ILE 2 -18.179 20.682 -0.314 12 HG22 ILE 2 2HG2 ILE 2 -19.583 19.637 -0.636 13 HG23 ILE 2 3HG2 ILE 2 -19.542 21.295 -1.281 14 HD11 ILE 2 3HD1 ILE 2 -16.809 18.252 -4.017 15 HD12 ILE 2 1HD1 ILE 2 -15.721 17.587 -2.775 16 HD13 ILE 2 2HD1 ILE 2 -15.678 19.324 -3.158 17 H HIS 3 HN HIS 3 -19.295 17.017 -3.724 18 HA HIS 3 HA HIS 3 -21.655 16.551 -2.022 19 HB2 HIS 3 HB1 HIS 3 -21.922 14.430 -3.377 20 HB3 HIS 3 HB2 HIS 3 -22.236 15.955 -4.241 21 HD1 HIS 3 HD1 HIS 3 -20.817 16.437 -6.272 22 HD2 HIS 3 HD2 HIS 3 -19.426 13.183 -4.096 23 HE1 HIS 3 HE1 HIS 3 -19.024 15.396 -7.693 24 H LYS 4 HN LYS 4 -19.339 16.747 -0.684 25 HA LYS 4 HA LYS 4 -17.924 15.683 0.748 26 HB2 LYS 4 HB1 LYS 4 -19.869 13.384 0.436 27 HB3 LYS 4 HB2 LYS 4 -18.726 13.634 1.778 28 HG2 LYS 4 HG1 LYS 4 -19.955 15.418 2.653 29 HG3 LYS 4 HG2 LYS 4 -20.846 15.674 1.133 30 HD2 LYS 4 HD1 LYS 4 -22.417 14.639 2.521 31 HD3 LYS 4 HD2 LYS 4 -21.787 13.299 1.533 32 HE2 LYS 4 HE1 LYS 4 -20.525 12.425 3.293 33 HE3 LYS 4 HE2 LYS 4 -20.550 13.958 4.200 34 HZ1 LYS 4 HZ1 LYS 4 -22.199 13.033 5.349 35 HZ2 LYS 4 HZ2 LYS 4 -22.424 11.782 4.233 36 HZ3 LYS 4 HZ3 LYS 4 -23.180 13.276 3.993 37 H GLN 5 HN GLN 5 -17.014 15.632 -1.819 38 HA GLN 5 HA GLN 5 -16.335 12.998 -2.692 39 HB2 GLN 5 HB1 GLN 5 -16.523 14.994 -4.192 40 HB3 GLN 5 HB2 GLN 5 -15.024 15.615 -3.461 41 HG2 GLN 5 HG1 GLN 5 -14.175 14.612 -5.326 42 HG3 GLN 5 HG2 GLN 5 -14.091 13.255 -4.177 43 HE21 GLN 5 1HE2 GLN 5 -14.999 14.133 -7.218 44 HE22 GLN 5 2HE2 GLN 5 -16.125 12.868 -7.560 45 H LYS 6 HN LYS 6 -15.000 11.736 -1.585 46 HA LYS 6 HA LYS 6 -13.099 12.689 0.290 47 HB2 LYS 6 HB1 LYS 6 -13.262 9.959 -1.012 48 HB3 LYS 6 HB2 LYS 6 -12.385 10.365 0.483 49 HG2 LYS 6 HG1 LYS 6 -15.349 10.831 0.258 50 HG3 LYS 6 HG2 LYS 6 -14.701 9.219 0.648 51 HD2 LYS 6 HD1 LYS 6 -13.735 11.616 2.178 52 HD3 LYS 6 HD2 LYS 6 -15.321 10.907 2.565 53 HE2 LYS 6 HE1 LYS 6 -13.994 8.650 2.602 54 HE3 LYS 6 HE2 LYS 6 -12.576 9.705 2.816 55 HZ1 LYS 6 HZ1 LYS 6 -14.909 10.160 4.538 56 HZ2 LYS 6 HZ2 LYS 6 -13.262 10.357 4.871 57 HZ3 LYS 6 HZ3 LYS 6 -13.942 8.808 4.857 58 H GLU 7 HN GLU 7 -10.782 11.393 -0.018 59 HA GLU 7 HA GLU 7 -8.727 11.539 -0.983 60 HB2 GLU 7 HB1 GLU 7 -10.202 10.295 -2.787 61 HB3 GLU 7 HB2 GLU 7 -9.945 11.799 -3.704 62 HG2 GLU 7 HG1 GLU 7 -7.580 11.500 -3.685 63 HG3 GLU 7 HG2 GLU 7 -7.699 10.153 -2.527 64 H LYS 8 HN LYS 8 -9.851 13.936 -0.089 65 HA LYS 8 HA LYS 8 -9.574 16.002 -2.045 66 HB2 LYS 8 HB1 LYS 8 -9.827 17.548 -0.184 67 HB3 LYS 8 HB2 LYS 8 -11.025 16.237 -0.065 68 HG2 LYS 8 HG1 LYS 8 -9.540 15.106 1.582 69 HG3 LYS 8 HG2 LYS 8 -8.466 16.525 1.528 70 HD2 LYS 8 HD1 LYS 8 -9.838 16.876 3.410 71 HD3 LYS 8 HD2 LYS 8 -10.537 17.905 2.137 72 HE2 LYS 8 HE1 LYS 8 -12.280 16.299 1.709 73 HE3 LYS 8 HE2 LYS 8 -11.523 15.115 2.801 74 HZ1 LYS 8 HZ1 LYS 8 -13.133 16.014 4.134 75 HZ2 LYS 8 HZ2 LYS 8 -13.027 17.559 3.453 76 HZ3 LYS 8 HZ3 LYS 8 -11.834 17.025 4.527 77 H SER 9 HN SER 9 -8.046 17.911 -1.472 78 HA SER 9 HA SER 9 -5.352 16.812 -1.452 79 HB2 SER 9 HB1 SER 9 -6.350 18.634 -3.076 80 HB3 SER 9 HB2 SER 9 -5.934 19.744 -1.747 81 HG SER 9 HG SER 9 -3.831 19.325 -2.036 82 H ARG 10 HN ARG 10 -4.032 16.875 0.240 83 HA ARG 10 HA ARG 10 -4.644 18.751 2.429 84 HB2 ARG 10 HB1 ARG 10 -3.936 17.067 4.041 85 HB3 ARG 10 HB2 ARG 10 -5.277 16.456 3.044 86 HG2 ARG 10 HG1 ARG 10 -2.560 15.842 2.049 87 HG3 ARG 10 HG2 ARG 10 -3.015 15.066 3.585 88 HD2 ARG 10 HD1 ARG 10 -5.163 14.344 2.438 89 HD3 ARG 10 HD2 ARG 10 -4.422 14.883 0.911 90 HE ARG 10 HE ARG 10 -3.117 13.002 0.932 91 HH11 ARG 10 1HH1 ARG 10 -4.467 13.468 4.108 92 HH12 ARG 10 2HH1 ARG 10 -3.906 11.945 4.713 93 HH21 ARG 10 1HH2 ARG 10 -2.372 10.994 1.718 94 HH22 ARG 10 2HH2 ARG 10 -2.713 10.540 3.353 95 H LEU 11 HN LEU 11 -2.749 19.173 3.859 96 HA LEU 11 HA LEU 11 -0.570 20.119 2.374 97 HB2 LEU 11 HB1 LEU 11 -1.133 19.744 5.287 98 HB3 LEU 11 HB2 LEU 11 0.515 20.168 4.765 99 HG LEU 11 HG LEU 11 -0.874 22.074 3.471 100 HD11 LEU 11 1HD1 LEU 11 -2.621 22.953 4.946 101 HD12 LEU 11 2HD1 LEU 11 -2.452 21.521 5.990 102 HD13 LEU 11 3HD1 LEU 11 -3.039 21.340 4.320 103 HD21 LEU 11 3HD2 LEU 11 -0.000 22.171 6.366 104 HD22 LEU 11 1HD2 LEU 11 -0.262 23.578 5.307 105 HD23 LEU 11 2HD2 LEU 11 1.042 22.422 4.945 106 H GLN 12 HN GLN 12 1.753 19.537 2.866 107 HA GLN 12 HA GLN 12 2.396 17.049 1.920 108 HB2 GLN 12 HB1 GLN 12 4.660 17.407 2.896 109 HB3 GLN 12 HB2 GLN 12 4.038 18.806 1.986 110 HG2 GLN 12 HG1 GLN 12 3.323 19.796 4.180 111 HG3 GLN 12 HG2 GLN 12 4.194 18.470 4.987 112 HE21 GLN 12 1HE2 GLN 12 6.028 19.194 5.766 113 HE22 GLN 12 2HE2 GLN 12 7.129 20.267 4.978 114 H GLY 13 HN GLY 13 1.765 18.004 5.238 115 HA2 GLY 13 HA1 GLY 13 2.779 15.905 6.684 116 HA3 GLY 13 HA2 GLY 13 1.273 16.718 7.083 117 H GLY 14 HN GLY 14 -0.051 15.892 4.607 118 HA2 GLY 14 HA1 GLY 14 -1.399 13.652 5.438 119 HA3 GLY 14 HA2 GLY 14 -1.247 14.121 3.751 120 H VAL 15 HN VAL 15 1.646 13.783 3.697 121 HA VAL 15 HA VAL 15 1.884 11.240 2.709 122 HB VAL 15 HB VAL 15 4.311 11.430 3.023 123 HG11 VAL 15 1HG1 VAL 15 4.649 13.520 1.773 124 HG12 VAL 15 2HG1 VAL 15 2.989 14.017 2.177 125 HG13 VAL 15 3HG1 VAL 15 3.265 12.590 1.150 126 HG21 VAL 15 3HG2 VAL 15 3.631 13.881 4.663 127 HG22 VAL 15 1HG2 VAL 15 5.266 13.389 4.162 128 HG23 VAL 15 2HG2 VAL 15 4.332 12.365 5.278 129 H LEU 16 HN LEU 16 2.141 12.290 6.045 130 HA LEU 16 HA LEU 16 3.355 10.158 7.264 131 HB2 LEU 16 HB1 LEU 16 2.552 12.242 8.370 132 HB3 LEU 16 HB2 LEU 16 0.901 11.579 8.308 133 HG LEU 16 HG LEU 16 1.846 9.628 9.686 134 HD11 LEU 16 1HD1 LEU 16 3.793 10.168 11.071 135 HD12 LEU 16 2HD1 LEU 16 4.022 11.675 10.154 136 HD13 LEU 16 3HD1 LEU 16 4.214 10.103 9.343 137 HD21 LEU 16 3HD2 LEU 16 1.674 12.397 10.893 138 HD22 LEU 16 1HD2 LEU 16 1.537 10.862 11.781 139 HD23 LEU 16 2HD2 LEU 16 0.308 11.304 10.573 140 H VAL 17 HN VAL 17 -0.161 10.475 6.738 141 HA VAL 17 HA VAL 17 -0.986 8.026 7.661 142 HB VAL 17 HB VAL 17 -2.055 9.518 5.261 143 HG11 VAL 17 1HG1 VAL 17 -4.139 8.272 5.639 144 HG12 VAL 17 2HG1 VAL 17 -3.332 7.330 6.916 145 HG13 VAL 17 3HG1 VAL 17 -2.786 7.192 5.228 146 HG21 VAL 17 3HG2 VAL 17 -2.896 9.535 8.169 147 HG22 VAL 17 1HG2 VAL 17 -3.724 10.389 6.845 148 HG23 VAL 17 2HG2 VAL 17 -2.068 10.851 7.304 149 H ASN 18 HN ASN 18 0.294 8.803 4.451 150 HA ASN 18 HA ASN 18 -0.135 6.454 3.107 151 HB2 ASN 18 HB1 ASN 18 1.431 8.743 2.725 152 HB3 ASN 18 HB2 ASN 18 2.575 7.383 2.631 153 HD21 ASN 18 1HD2 ASN 18 -0.683 8.257 1.492 154 HD22 ASN 18 2HD2 ASN 18 -0.483 7.617 -0.100 155 H GLU 19 HN GLU 19 2.169 7.092 5.655 156 HA GLU 19 HA GLU 19 3.969 5.040 5.401 157 HB2 GLU 19 HB1 GLU 19 4.484 5.311 7.654 158 HB3 GLU 19 HB2 GLU 19 3.765 6.878 7.211 159 HG2 GLU 19 HG1 GLU 19 1.548 5.743 8.045 160 HG3 GLU 19 HG2 GLU 19 2.673 4.681 8.926 161 H ILE 20 HN ILE 20 0.622 4.865 6.368 162 HA ILE 20 HA ILE 20 0.448 2.449 7.648 163 HB ILE 20 HB ILE 20 -1.494 3.885 7.269 164 HG12 ILE 20 1HG1 ILE 20 -2.842 1.760 6.065 165 HG13 ILE 20 2HG1 ILE 20 -1.427 1.008 6.840 166 HG21 ILE 20 1HG2 ILE 20 -2.658 3.884 5.103 167 HG22 ILE 20 2HG2 ILE 20 -1.334 2.919 4.408 168 HG23 ILE 20 3HG2 ILE 20 -1.022 4.574 4.981 169 HD11 ILE 20 3HD1 ILE 20 -2.058 2.028 8.980 170 HD12 ILE 20 1HD1 ILE 20 -3.365 1.008 8.332 171 HD13 ILE 20 2HD1 ILE 20 -3.473 2.780 8.205 172 H LEU 21 HN LEU 21 0.621 3.013 4.151 173 HA LEU 21 HA LEU 21 0.205 0.474 3.192 174 HB2 LEU 21 HB1 LEU 21 2.304 2.398 2.178 175 HB3 LEU 21 HB2 LEU 21 1.524 1.088 1.259 176 HG LEU 21 HG LEU 21 0.361 3.721 2.136 177 HD11 LEU 21 1HD1 LEU 21 -0.195 3.901 -0.243 178 HD12 LEU 21 2HD1 LEU 21 0.546 2.309 -0.532 179 HD13 LEU 21 3HD1 LEU 21 1.553 3.674 0.008 180 HD21 LEU 21 3HD2 LEU 21 -1.144 1.302 1.113 181 HD22 LEU 21 1HD2 LEU 21 -1.821 2.933 1.339 182 HD23 LEU 21 2HD2 LEU 21 -1.261 1.999 2.747 183 H ASN 22 HN ASN 22 3.279 1.864 4.315 184 HA ASN 22 HA ASN 22 4.992 -0.215 3.791 185 HB2 ASN 22 HB1 ASN 22 4.978 2.102 5.486 186 HB3 ASN 22 HB2 ASN 22 5.679 0.730 6.378 187 HD21 ASN 22 1HD2 ASN 22 6.443 3.268 4.494 188 HD22 ASN 22 2HD2 ASN 22 7.908 2.694 3.781 189 H HIS 23 HN HIS 23 3.444 0.280 6.969 190 HA HIS 23 HA HIS 23 4.100 -2.167 8.078 191 HB2 HIS 23 HB1 HIS 23 2.933 -1.415 9.831 192 HB3 HIS 23 HB2 HIS 23 2.625 0.041 8.854 193 HD1 HIS 23 HD1 HIS 23 0.255 0.374 7.960 194 HD2 HIS 23 HD2 HIS 23 0.750 -3.227 9.970 195 HE1 HIS 23 HE1 HIS 23 -2.065 -0.544 8.275 196 H MET 24 HN MET 24 1.342 -1.314 6.043 197 HA MET 24 HA MET 24 -0.204 -3.579 6.273 198 HB2 MET 24 HB1 MET 24 0.054 -1.392 4.427 199 HB3 MET 24 HB2 MET 24 -0.210 -2.904 3.525 200 HG2 MET 24 HG1 MET 24 -1.977 -2.630 5.837 201 HG3 MET 24 HG2 MET 24 -2.159 -1.307 4.659 202 HE1 MET 24 HE1 MET 24 -5.179 -3.346 3.468 203 HE2 MET 24 HE2 MET 24 -4.500 -1.729 3.768 204 HE3 MET 24 HE3 MET 24 -4.687 -2.879 5.113 205 H LYS 25 HN LYS 25 2.821 -3.153 4.586 206 HA LYS 25 HA LYS 25 2.866 -5.261 2.831 207 HB2 LYS 25 HB1 LYS 25 4.677 -3.522 3.302 208 HB3 LYS 25 HB2 LYS 25 5.211 -4.600 4.615 209 HG2 LYS 25 HG1 LYS 25 5.906 -6.260 3.142 210 HG3 LYS 25 HG2 LYS 25 4.905 -5.634 1.809 211 HD2 LYS 25 HD1 LYS 25 7.098 -5.029 1.224 212 HD3 LYS 25 HD2 LYS 25 6.399 -3.544 1.914 213 HE2 LYS 25 HE1 LYS 25 8.625 -3.834 2.793 214 HE3 LYS 25 HE2 LYS 25 7.450 -4.126 4.099 215 HZ1 LYS 25 HZ1 LYS 25 9.394 -5.898 2.970 216 HZ2 LYS 25 HZ2 LYS 25 7.849 -6.586 2.972 217 HZ3 LYS 25 HZ3 LYS 25 8.527 -6.027 4.418 218 H ARG 26 HN ARG 26 3.680 -5.361 6.293 219 HA ARG 26 HA ARG 26 4.437 -7.980 6.562 220 HB2 ARG 26 HB1 ARG 26 4.534 -6.451 8.426 221 HB3 ARG 26 HB2 ARG 26 2.761 -6.297 8.438 222 HG2 ARG 26 HG1 ARG 26 2.457 -8.431 9.333 223 HG3 ARG 26 HG2 ARG 26 4.088 -8.966 8.862 224 HD2 ARG 26 HD1 ARG 26 5.050 -8.092 10.709 225 HD3 ARG 26 HD2 ARG 26 4.009 -6.648 10.693 226 HE ARG 26 HE ARG 26 3.610 -9.035 12.209 227 HH11 ARG 26 1HH1 ARG 26 1.946 -6.463 10.556 228 HH12 ARG 26 2HH1 ARG 26 0.524 -6.575 11.539 229 HH21 ARG 26 1HH2 ARG 26 1.743 -9.193 13.509 230 HH22 ARG 26 2HH2 ARG 26 0.409 -8.128 13.219 231 H ALA 27 HN ALA 27 1.200 -6.698 6.155 232 HA ALA 27 HA ALA 27 -0.069 -9.248 6.652 233 HB1 ALA 27 HB1 ALA 27 -2.155 -8.082 6.064 234 HB2 ALA 27 HB2 ALA 27 -1.207 -6.645 5.610 235 HB3 ALA 27 HB3 ALA 27 -1.222 -7.205 7.300 236 H THR 28 HN THR 28 0.285 -7.092 3.834 237 HA THR 28 HA THR 28 -0.099 -7.497 1.600 238 HB THR 28 HB THR 28 1.287 -9.622 0.880 239 HG1 THR 28 HG1 THR 28 2.270 -9.120 3.510 240 HG21 THR 28 3HG2 THR 28 1.954 -7.303 0.457 241 HG22 THR 28 1HG2 THR 28 3.348 -8.280 0.975 242 HG23 THR 28 2HG2 THR 28 2.564 -7.171 2.124 243 H GLN 29 HN GLN 29 -2.185 -8.571 3.255 244 HA GLN 29 HA GLN 29 -2.845 -11.215 2.442 245 HB2 GLN 29 HB1 GLN 29 -5.032 -10.782 3.425 246 HB3 GLN 29 HB2 GLN 29 -3.734 -10.204 4.498 247 HG2 GLN 29 HG1 GLN 29 -4.919 -8.261 2.574 248 HG3 GLN 29 HG2 GLN 29 -5.906 -8.761 3.969 249 HE21 GLN 29 1HE2 GLN 29 -3.497 -6.692 2.873 250 HE22 GLN 29 2HE2 GLN 29 -2.971 -6.078 4.399 251 H ILE 30 HN ILE 30 -2.902 -8.275 0.815 252 HA ILE 30 HA ILE 30 -4.616 -9.430 -1.271 253 HB ILE 30 HB ILE 30 -5.450 -7.087 -1.743 254 HG12 ILE 30 1HG1 ILE 30 -4.858 -6.477 1.129 255 HG13 ILE 30 2HG1 ILE 30 -3.594 -6.196 -0.092 256 HG21 ILE 30 1HG2 ILE 30 -7.221 -7.205 -0.041 257 HG22 ILE 30 2HG2 ILE 30 -6.249 -8.387 0.868 258 HG23 ILE 30 3HG2 ILE 30 -6.868 -8.800 -0.749 259 HD11 ILE 30 3HD1 ILE 30 -5.111 -4.711 -1.321 260 HD12 ILE 30 1HD1 ILE 30 -4.870 -4.158 0.354 261 HD13 ILE 30 2HD1 ILE 30 -6.375 -4.992 -0.100 262 HA PRO 31 HA PRO 31 -0.517 -7.967 -2.914 263 HB2 PRO 31 HB1 PRO 31 0.002 -10.255 -4.321 264 HB3 PRO 31 HB2 PRO 31 0.446 -10.053 -2.609 265 HG2 PRO 31 HG1 PRO 31 -1.926 -11.453 -3.814 266 HG3 PRO 31 HG2 PRO 31 -0.873 -11.966 -2.473 267 HD2 PRO 31 HD1 PRO 31 -3.321 -10.847 -2.063 268 HD3 PRO 31 HD2 PRO 31 -1.966 -10.617 -0.930 269 H SER 32 HN SER 32 0.165 -8.472 -5.408 270 HA SER 32 HA SER 32 -2.096 -7.454 -6.960 271 HB2 SER 32 HB1 SER 32 -0.215 -7.049 -8.695 272 HB3 SER 32 HB2 SER 32 -0.250 -6.031 -7.235 273 HG SER 32 HG SER 32 1.781 -7.371 -8.052 274 H TYR 33 HN TYR 33 -1.762 -10.301 -6.220 275 HA TYR 33 HA TYR 33 -0.833 -11.930 -8.231 276 HB2 TYR 33 HB1 TYR 33 -2.256 -13.641 -7.395 277 HB3 TYR 33 HB2 TYR 33 -1.788 -12.631 -6.005 278 HD1 TYR 33 HD1 TYR 33 -3.492 -10.642 -5.507 279 HD2 TYR 33 HD2 TYR 33 -4.490 -14.217 -7.587 280 HE1 TYR 33 HE1 TYR 33 -5.862 -10.298 -4.949 281 HE2 TYR 33 HE2 TYR 33 -6.863 -13.882 -7.035 282 HH TYR 33 HH TYR 33 -8.341 -12.639 -5.942 283 H LYS 34 HN LYS 34 -3.892 -10.187 -8.061 284 HA LYS 34 HA LYS 34 -5.603 -9.940 -9.559 285 HB2 LYS 34 HB1 LYS 34 -3.227 -9.894 -11.437 286 HB3 LYS 34 HB2 LYS 34 -4.862 -9.311 -11.835 287 HG2 LYS 34 HG1 LYS 34 -3.094 -8.201 -9.638 288 HG3 LYS 34 HG2 LYS 34 -3.301 -7.486 -11.255 289 HD2 LYS 34 HD1 LYS 34 -5.882 -7.994 -10.081 290 HD3 LYS 34 HD2 LYS 34 -4.879 -7.061 -8.943 291 HE2 LYS 34 HE1 LYS 34 -4.316 -5.575 -10.979 292 HE3 LYS 34 HE2 LYS 34 -5.715 -6.353 -11.756 293 HZ1 LYS 34 HZ1 LYS 34 -6.704 -4.558 -10.789 294 HZ2 LYS 34 HZ2 LYS 34 -5.638 -4.503 -9.477 295 HZ3 LYS 34 HZ3 LYS 34 -6.866 -5.665 -9.520 296 H LYS 35 HN LYS 35 -6.512 -12.033 -9.252 297 HA LYS 35 HA LYS 35 -5.740 -14.216 -10.957 298 HB2 LYS 35 HB1 LYS 35 -6.571 -14.784 -8.792 299 HB3 LYS 35 HB2 LYS 35 -8.036 -13.801 -9.036 300 HG2 LYS 35 HG1 LYS 35 -8.940 -15.351 -10.576 301 HG3 LYS 35 HG2 LYS 35 -7.389 -16.210 -10.738 302 HD2 LYS 35 HD1 LYS 35 -7.548 -16.937 -8.394 303 HD3 LYS 35 HD2 LYS 35 -9.100 -16.080 -8.234 304 HE2 LYS 35 HE1 LYS 35 -10.135 -17.526 -9.863 305 HE3 LYS 35 HE2 LYS 35 -8.574 -18.297 -10.236 306 HZ1 LYS 35 HZ1 LYS 35 -9.911 -19.672 -8.772 307 HZ2 LYS 35 HZ2 LYS 35 -10.001 -18.432 -7.625 308 HZ3 LYS 35 HZ3 LYS 35 -8.512 -19.157 -7.972 309 H LEU 36 HN LEU 36 -8.989 -12.830 -10.547 310 HA LEU 36 HA LEU 36 -9.573 -13.400 -13.333 311 HB2 LEU 36 HB1 LEU 36 -11.833 -13.047 -12.816 312 HB3 LEU 36 HB2 LEU 36 -11.145 -13.868 -11.395 313 HG LEU 36 HG LEU 36 -10.887 -11.333 -10.579 314 HD11 LEU 36 1HD1 LEU 36 -12.866 -10.038 -11.219 315 HD12 LEU 36 2HD1 LEU 36 -13.309 -11.303 -12.390 316 HD13 LEU 36 3HD1 LEU 36 -11.814 -10.364 -12.617 317 HD21 LEU 36 3HD2 LEU 36 -13.432 -12.967 -10.443 318 HD22 LEU 36 1HD2 LEU 36 -12.985 -11.639 -9.345 319 HD23 LEU 36 2HD2 LEU 36 -12.017 -13.133 -9.375 320 H ILE 37 HN ILE 37 -9.079 -10.636 -11.233 321 HA ILE 37 HA ILE 37 -10.042 -8.604 -12.883 322 HB ILE 37 HB ILE 37 -7.657 -8.415 -11.042 323 HG12 ILE 37 1HG1 ILE 37 -9.550 -9.366 -9.849 324 HG13 ILE 37 2HG1 ILE 37 -9.280 -7.686 -9.329 325 HG21 ILE 37 1HG2 ILE 37 -8.290 -6.047 -10.861 326 HG22 ILE 37 2HG2 ILE 37 -9.586 -6.315 -12.049 327 HG23 ILE 37 3HG2 ILE 37 -7.884 -6.504 -12.532 328 HD11 ILE 37 3HD1 ILE 37 -11.119 -6.944 -10.771 329 HD12 ILE 37 1HD1 ILE 37 -11.663 -8.163 -9.595 330 HD13 ILE 37 2HD1 ILE 37 -11.389 -8.624 -11.292 331 H MET 38 HN MET 38 -9.357 -7.734 -14.730 332 HA MET 38 HA MET 38 -6.969 -8.778 -15.983 333 HB2 MET 38 HB1 MET 38 -9.263 -8.283 -17.091 334 HB3 MET 38 HB2 MET 38 -8.692 -6.597 -17.130 335 HG2 MET 38 HG1 MET 38 -6.579 -7.629 -18.261 336 HG3 MET 38 HG2 MET 38 -7.661 -9.002 -18.597 337 HE1 MET 38 HE1 MET 38 -8.540 -7.922 -22.033 338 HE2 MET 38 HE2 MET 38 -8.751 -9.184 -20.796 339 HE3 MET 38 HE3 MET 38 -7.119 -8.607 -21.209 340 H TYR 39 HN TYR 39 -7.963 -5.900 -14.331 341 HA TYR 39 HA TYR 39 -6.075 -4.083 -15.332 342 HB2 TYR 39 HB1 TYR 39 -7.732 -4.285 -12.862 343 HB3 TYR 39 HB2 TYR 39 -6.376 -3.132 -12.862 344 HD1 TYR 39 HD1 TYR 39 -9.253 -4.135 -15.054 345 HD2 TYR 39 HD2 TYR 39 -6.813 -0.977 -13.576 346 HE1 TYR 39 HE1 TYR 39 -10.644 -2.503 -16.260 347 HE2 TYR 39 HE2 TYR 39 -8.198 0.663 -14.777 348 HH TYR 39 HH TYR 39 -11.150 -0.281 -16.425 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -15.417 15.551 -1.660 2 H2 GLY 1 HT2 GLY 1 -15.817 15.137 -0.011 3 H3 GLY 1 HT3 GLY 1 -14.621 16.368 -0.337 4 HA2 GLY 1 HA1 GLY 1 -16.299 17.738 -1.344 5 HA3 GLY 1 HA2 GLY 1 -17.502 16.499 -1.015 6 H ILE 2 HN ILE 2 -17.262 15.732 1.447 7 HA ILE 2 HA ILE 2 -18.069 17.990 2.985 8 HB ILE 2 HB ILE 2 -17.451 15.196 3.951 9 HG12 ILE 2 1HG1 ILE 2 -20.096 16.415 3.113 10 HG13 ILE 2 2HG1 ILE 2 -19.145 15.268 2.138 11 HG21 ILE 2 1HG2 ILE 2 -18.935 15.764 5.826 12 HG22 ILE 2 2HG2 ILE 2 -19.093 17.417 5.184 13 HG23 ILE 2 3HG2 ILE 2 -17.512 16.831 5.754 14 HD11 ILE 2 3HD1 ILE 2 -19.413 13.565 3.882 15 HD12 ILE 2 1HD1 ILE 2 -20.987 14.146 3.289 16 HD13 ILE 2 2HD1 ILE 2 -20.363 14.712 4.857 17 H HIS 3 HN HIS 3 -16.574 19.460 3.534 18 HA HIS 3 HA HIS 3 -14.339 18.566 5.188 19 HB2 HIS 3 HB1 HIS 3 -14.057 20.345 2.756 20 HB3 HIS 3 HB2 HIS 3 -12.796 20.133 3.994 21 HD1 HIS 3 HD1 HIS 3 -11.933 17.559 4.254 22 HD2 HIS 3 HD2 HIS 3 -13.964 18.499 0.753 23 HE1 HIS 3 HE1 HIS 3 -11.364 15.723 2.633 24 H LYS 4 HN LYS 4 -13.939 19.881 6.877 25 HA LYS 4 HA LYS 4 -15.765 21.775 7.720 26 HB2 LYS 4 HB1 LYS 4 -14.105 22.452 9.387 27 HB3 LYS 4 HB2 LYS 4 -14.177 20.680 9.223 28 HG2 LYS 4 HG1 LYS 4 -12.172 22.102 7.553 29 HG3 LYS 4 HG2 LYS 4 -11.879 22.064 9.308 30 HD2 LYS 4 HD1 LYS 4 -12.486 19.500 8.997 31 HD3 LYS 4 HD2 LYS 4 -11.962 19.824 7.326 32 HE2 LYS 4 HE1 LYS 4 -9.879 20.907 8.427 33 HE3 LYS 4 HE2 LYS 4 -10.381 20.023 9.888 34 HZ1 LYS 4 HZ1 LYS 4 -9.418 18.971 7.312 35 HZ2 LYS 4 HZ2 LYS 4 -10.467 18.026 8.244 36 HZ3 LYS 4 HZ3 LYS 4 -8.984 18.527 8.886 37 H GLN 5 HN GLN 5 -15.501 24.096 8.054 38 HA GLN 5 HA GLN 5 -14.162 25.348 5.755 39 HB2 GLN 5 HB1 GLN 5 -16.701 25.527 6.068 40 HB3 GLN 5 HB2 GLN 5 -16.328 26.614 7.427 41 HG2 GLN 5 HG1 GLN 5 -16.641 28.117 5.721 42 HG3 GLN 5 HG2 GLN 5 -14.880 27.872 5.649 43 HE21 GLN 5 1HE2 GLN 5 -13.989 26.922 3.880 44 HE22 GLN 5 2HE2 GLN 5 -14.878 26.502 2.460 45 H LYS 6 HN LYS 6 -12.341 24.896 7.535 46 HA LYS 6 HA LYS 6 -12.006 27.436 8.992 47 HB2 LYS 6 HB1 LYS 6 -11.338 24.623 9.835 48 HB3 LYS 6 HB2 LYS 6 -10.506 26.026 10.548 49 HG2 LYS 6 HG1 LYS 6 -12.836 26.918 11.098 50 HG3 LYS 6 HG2 LYS 6 -13.425 25.282 10.712 51 HD2 LYS 6 HD1 LYS 6 -11.114 25.543 12.592 52 HD3 LYS 6 HD2 LYS 6 -12.734 25.984 13.184 53 HE2 LYS 6 HE1 LYS 6 -12.156 23.361 11.790 54 HE3 LYS 6 HE2 LYS 6 -12.006 23.570 13.551 55 HZ1 LYS 6 HZ1 LYS 6 -14.244 22.791 12.366 56 HZ2 LYS 6 HZ2 LYS 6 -14.506 24.462 12.343 57 HZ3 LYS 6 HZ3 LYS 6 -14.232 23.670 13.812 58 H GLU 7 HN GLU 7 -9.563 27.704 9.585 59 HA GLU 7 HA GLU 7 -8.144 27.771 7.092 60 HB2 GLU 7 HB1 GLU 7 -7.424 28.609 9.904 61 HB3 GLU 7 HB2 GLU 7 -6.298 28.756 8.534 62 HG2 GLU 7 HG1 GLU 7 -7.674 30.335 7.443 63 HG3 GLU 7 HG2 GLU 7 -9.050 29.993 8.519 64 H LYS 8 HN LYS 8 -6.131 26.797 6.637 65 HA LYS 8 HA LYS 8 -5.579 24.377 8.226 66 HB2 LYS 8 HB1 LYS 8 -4.736 23.365 6.108 67 HB3 LYS 8 HB2 LYS 8 -6.478 23.731 6.093 68 HG2 LYS 8 HG1 LYS 8 -6.106 25.699 4.749 69 HG3 LYS 8 HG2 LYS 8 -4.341 25.494 4.870 70 HD2 LYS 8 HD1 LYS 8 -6.104 23.339 3.705 71 HD3 LYS 8 HD2 LYS 8 -5.519 24.699 2.716 72 HE2 LYS 8 HE1 LYS 8 -3.189 24.114 3.375 73 HE3 LYS 8 HE2 LYS 8 -3.825 22.693 4.238 74 HZ1 LYS 8 HZ1 LYS 8 -4.345 21.637 2.293 75 HZ2 LYS 8 HZ2 LYS 8 -2.977 22.497 1.794 76 HZ3 LYS 8 HZ3 LYS 8 -4.521 23.065 1.404 77 H SER 9 HN SER 9 -3.464 23.863 8.686 78 HA SER 9 HA SER 9 -1.451 25.882 7.934 79 HB2 SER 9 HB1 SER 9 -2.054 26.074 10.309 80 HB3 SER 9 HB2 SER 9 -1.670 24.352 10.547 81 HG SER 9 HG SER 9 0.051 26.533 10.122 82 H ARG 10 HN ARG 10 -1.561 23.996 6.166 83 HA ARG 10 HA ARG 10 -0.456 22.306 5.117 84 HB2 ARG 10 HB1 ARG 10 1.428 23.935 6.011 85 HB3 ARG 10 HB2 ARG 10 1.824 22.537 7.038 86 HG2 ARG 10 HG1 ARG 10 3.208 22.336 5.145 87 HG3 ARG 10 HG2 ARG 10 1.889 21.168 4.888 88 HD2 ARG 10 HD1 ARG 10 1.923 22.165 2.826 89 HD3 ARG 10 HD2 ARG 10 0.774 23.240 3.658 90 HE ARG 10 HE ARG 10 2.275 24.929 3.381 91 HH11 ARG 10 1HH1 ARG 10 3.996 21.907 3.207 92 HH12 ARG 10 2HH1 ARG 10 5.515 22.645 2.818 93 HH21 ARG 10 1HH2 ARG 10 4.269 25.911 2.870 94 HH22 ARG 10 2HH2 ARG 10 5.670 24.923 2.628 95 H LEU 11 HN LEU 11 -2.222 21.544 7.198 96 HA LEU 11 HA LEU 11 -0.865 19.203 8.352 97 HB2 LEU 11 HB1 LEU 11 -2.607 19.124 10.013 98 HB3 LEU 11 HB2 LEU 11 -1.895 20.755 9.964 99 HG LEU 11 HG LEU 11 -3.963 21.209 8.365 100 HD11 LEU 11 1HD1 LEU 11 -5.954 19.999 9.120 101 HD12 LEU 11 2HD1 LEU 11 -4.929 18.954 10.132 102 HD13 LEU 11 3HD1 LEU 11 -4.770 18.908 8.360 103 HD21 LEU 11 3HD2 LEU 11 -4.144 21.051 11.382 104 HD22 LEU 11 1HD2 LEU 11 -5.199 22.017 10.323 105 HD23 LEU 11 2HD2 LEU 11 -3.465 22.399 10.439 106 H GLN 12 HN GLN 12 -3.658 20.267 6.498 107 HA GLN 12 HA GLN 12 -5.159 17.983 6.325 108 HB2 GLN 12 HB1 GLN 12 -4.623 20.260 4.490 109 HB3 GLN 12 HB2 GLN 12 -5.412 18.825 3.791 110 HG2 GLN 12 HG1 GLN 12 -6.994 19.064 5.875 111 HG3 GLN 12 HG2 GLN 12 -6.408 20.745 5.862 112 HE21 GLN 12 1HE2 GLN 12 -8.968 20.573 5.513 113 HE22 GLN 12 2HE2 GLN 12 -9.442 20.771 3.864 114 H GLY 13 HN GLY 13 -2.234 18.779 4.493 115 HA2 GLY 13 HA1 GLY 13 -2.159 16.748 2.652 116 HA3 GLY 13 HA2 GLY 13 -0.727 17.399 3.435 117 H GLY 14 HN GLY 14 -0.715 16.554 5.914 118 HA2 GLY 14 HA1 GLY 14 0.029 14.691 7.072 119 HA3 GLY 14 HA2 GLY 14 -1.619 14.160 6.766 120 H VAL 15 HN VAL 15 0.824 14.626 4.283 121 HA VAL 15 HA VAL 15 0.382 12.287 2.921 122 HB VAL 15 HB VAL 15 2.653 12.512 1.983 123 HG11 VAL 15 1HG1 VAL 15 2.368 14.759 1.029 124 HG12 VAL 15 2HG1 VAL 15 1.158 15.125 2.281 125 HG13 VAL 15 3HG1 VAL 15 0.834 13.858 1.075 126 HG21 VAL 15 3HG2 VAL 15 2.968 14.695 4.056 127 HG22 VAL 15 1HG2 VAL 15 4.108 14.347 2.734 128 HG23 VAL 15 2HG2 VAL 15 3.841 13.145 4.019 129 H LEU 16 HN LEU 16 2.302 12.778 5.799 130 HA LEU 16 HA LEU 16 3.910 10.562 5.870 131 HB2 LEU 16 HB1 LEU 16 2.892 12.452 7.739 132 HB3 LEU 16 HB2 LEU 16 2.736 10.829 8.456 133 HG LEU 16 HG LEU 16 5.310 11.992 7.374 134 HD11 LEU 16 1HD1 LEU 16 5.963 12.244 9.722 135 HD12 LEU 16 2HD1 LEU 16 4.336 11.726 10.225 136 HD13 LEU 16 3HD1 LEU 16 4.547 13.246 9.323 137 HD21 LEU 16 3HD2 LEU 16 4.739 9.508 9.006 138 HD22 LEU 16 1HD2 LEU 16 6.351 10.108 8.549 139 HD23 LEU 16 2HD2 LEU 16 5.219 9.552 7.293 140 H VAL 17 HN VAL 17 0.449 10.737 6.387 141 HA VAL 17 HA VAL 17 -0.119 8.346 7.600 142 HB VAL 17 HB VAL 17 -1.827 10.014 6.981 143 HG11 VAL 17 1HG1 VAL 17 -2.766 10.022 4.709 144 HG12 VAL 17 2HG1 VAL 17 -1.498 8.885 4.193 145 HG13 VAL 17 3HG1 VAL 17 -1.059 10.526 4.723 146 HG21 VAL 17 3HG2 VAL 17 -2.374 7.223 5.948 147 HG22 VAL 17 1HG2 VAL 17 -3.609 8.424 6.397 148 HG23 VAL 17 2HG2 VAL 17 -2.515 7.767 7.637 149 H ASN 18 HN ASN 18 0.871 8.903 4.285 150 HA ASN 18 HA ASN 18 0.187 6.560 3.039 151 HB2 ASN 18 HB1 ASN 18 2.686 8.244 2.792 152 HB3 ASN 18 HB2 ASN 18 2.356 6.857 1.726 153 HD21 ASN 18 1HD2 ASN 18 -0.070 6.956 0.933 154 HD22 ASN 18 2HD2 ASN 18 -0.517 8.469 0.227 155 H GLU 19 HN GLU 19 2.665 7.082 5.442 156 HA GLU 19 HA GLU 19 4.294 4.897 5.150 157 HB2 GLU 19 HB1 GLU 19 4.939 5.170 7.374 158 HB3 GLU 19 HB2 GLU 19 4.341 6.782 6.912 159 HG2 GLU 19 HG1 GLU 19 2.072 5.858 7.881 160 HG3 GLU 19 HG2 GLU 19 3.154 4.750 8.758 161 H ILE 20 HN ILE 20 1.002 4.996 6.298 162 HA ILE 20 HA ILE 20 0.722 2.629 7.649 163 HB ILE 20 HB ILE 20 -1.127 4.197 7.340 164 HG12 ILE 20 1HG1 ILE 20 -2.694 2.157 6.262 165 HG13 ILE 20 2HG1 ILE 20 -1.298 1.314 6.977 166 HG21 ILE 20 1HG2 ILE 20 -2.407 4.239 5.241 167 HG22 ILE 20 2HG2 ILE 20 -1.199 3.164 4.498 168 HG23 ILE 20 3HG2 ILE 20 -0.735 4.803 5.013 169 HD11 ILE 20 3HD1 ILE 20 -1.731 2.420 9.123 170 HD12 ILE 20 1HD1 ILE 20 -3.144 1.490 8.571 171 HD13 ILE 20 2HD1 ILE 20 -3.126 3.262 8.409 172 H LEU 21 HN LEU 21 0.737 3.101 4.134 173 HA LEU 21 HA LEU 21 0.085 0.577 3.267 174 HB2 LEU 21 HB1 LEU 21 2.254 2.316 2.084 175 HB3 LEU 21 HB2 LEU 21 1.325 1.049 1.247 176 HG LEU 21 HG LEU 21 0.413 3.781 2.124 177 HD11 LEU 21 1HD1 LEU 21 -0.262 3.956 -0.225 178 HD12 LEU 21 2HD1 LEU 21 0.343 2.308 -0.518 179 HD13 LEU 21 3HD1 LEU 21 1.475 3.604 -0.066 180 HD21 LEU 21 3HD2 LEU 21 -1.319 1.462 1.243 181 HD22 LEU 21 1HD2 LEU 21 -1.861 3.142 1.468 182 HD23 LEU 21 2HD2 LEU 21 -1.291 2.197 2.864 183 H ASN 22 HN ASN 22 3.310 1.764 4.176 184 HA ASN 22 HA ASN 22 4.836 -0.446 3.612 185 HB2 ASN 22 HB1 ASN 22 5.087 1.905 5.241 186 HB3 ASN 22 HB2 ASN 22 5.741 0.507 6.129 187 HD21 ASN 22 1HD2 ASN 22 6.328 2.824 3.756 188 HD22 ASN 22 2HD2 ASN 22 7.797 2.174 3.121 189 H HIS 23 HN HIS 23 3.519 0.236 6.859 190 HA HIS 23 HA HIS 23 4.060 -2.226 7.996 191 HB2 HIS 23 HB1 HIS 23 3.061 -1.348 9.793 192 HB3 HIS 23 HB2 HIS 23 2.800 0.103 8.795 193 HD1 HIS 23 HD1 HIS 23 0.411 0.590 8.034 194 HD2 HIS 23 HD2 HIS 23 0.765 -2.992 10.109 195 HE1 HIS 23 HE1 HIS 23 -1.947 -0.147 8.511 196 H MET 24 HN MET 24 1.255 -1.217 6.103 197 HA MET 24 HA MET 24 -0.437 -3.356 6.486 198 HB2 MET 24 HB1 MET 24 -0.126 -1.241 4.559 199 HB3 MET 24 HB2 MET 24 -0.572 -2.751 3.729 200 HG2 MET 24 HG1 MET 24 -2.156 -2.301 6.130 201 HG3 MET 24 HG2 MET 24 -2.291 -0.959 4.968 202 HE1 MET 24 HE1 MET 24 -5.349 -2.311 3.342 203 HE2 MET 24 HE2 MET 24 -4.220 -0.939 3.440 204 HE3 MET 24 HE3 MET 24 -4.942 -1.605 4.924 205 H LYS 25 HN LYS 25 2.503 -3.194 4.614 206 HA LYS 25 HA LYS 25 2.285 -5.342 2.919 207 HB2 LYS 25 HB1 LYS 25 4.240 -3.733 3.205 208 HB3 LYS 25 HB2 LYS 25 4.777 -4.788 4.534 209 HG2 LYS 25 HG1 LYS 25 4.188 -6.129 1.958 210 HG3 LYS 25 HG2 LYS 25 5.601 -5.046 1.979 211 HD2 LYS 25 HD1 LYS 25 6.123 -6.333 4.235 212 HD3 LYS 25 HD2 LYS 25 5.109 -7.588 3.483 213 HE2 LYS 25 HE1 LYS 25 6.560 -7.501 1.468 214 HE3 LYS 25 HE2 LYS 25 7.605 -6.327 2.304 215 HZ1 LYS 25 HZ1 LYS 25 8.703 -8.163 2.927 216 HZ2 LYS 25 HZ2 LYS 25 7.394 -9.197 2.653 217 HZ3 LYS 25 HZ3 LYS 25 7.488 -8.318 4.095 218 H ARG 26 HN ARG 26 2.749 -5.354 6.387 219 HA ARG 26 HA ARG 26 3.646 -7.902 6.872 220 HB2 ARG 26 HB1 ARG 26 1.705 -6.142 8.355 221 HB3 ARG 26 HB2 ARG 26 2.118 -7.765 8.960 222 HG2 ARG 26 HG1 ARG 26 4.222 -5.696 8.316 223 HG3 ARG 26 HG2 ARG 26 3.430 -5.791 9.908 224 HD2 ARG 26 HD1 ARG 26 4.222 -8.045 10.233 225 HD3 ARG 26 HD2 ARG 26 4.864 -8.106 8.574 226 HE ARG 26 HE ARG 26 6.084 -5.962 9.871 227 HH11 ARG 26 1HH1 ARG 26 5.936 -9.430 10.136 228 HH12 ARG 26 2HH1 ARG 26 7.527 -9.577 10.805 229 HH21 ARG 26 1HH2 ARG 26 8.180 -6.142 10.751 230 HH22 ARG 26 2HH2 ARG 26 8.802 -7.706 11.156 231 H ALA 27 HN ALA 27 0.557 -6.910 5.660 232 HA ALA 27 HA ALA 27 -0.702 -9.472 6.164 233 HB1 ALA 27 HB1 ALA 27 -2.649 -8.503 5.012 234 HB2 ALA 27 HB2 ALA 27 -1.683 -7.058 4.626 235 HB3 ALA 27 HB3 ALA 27 -2.054 -7.455 6.321 236 H THR 28 HN THR 28 1.694 -9.455 4.529 237 HA THR 28 HA THR 28 1.230 -9.596 1.793 238 HB THR 28 HB THR 28 3.183 -11.184 3.467 239 HG1 THR 28 HG1 THR 28 4.526 -9.516 3.113 240 HG21 THR 28 3HG2 THR 28 2.804 -12.302 1.319 241 HG22 THR 28 1HG2 THR 28 4.420 -11.558 1.374 242 HG23 THR 28 2HG2 THR 28 3.109 -10.770 0.465 243 H GLN 29 HN GLN 29 0.289 -11.762 4.304 244 HA GLN 29 HA GLN 29 -0.004 -14.112 2.742 245 HB2 GLN 29 HB1 GLN 29 -1.478 -13.325 5.268 246 HB3 GLN 29 HB2 GLN 29 -1.333 -14.968 4.596 247 HG2 GLN 29 HG1 GLN 29 1.294 -14.153 4.835 248 HG3 GLN 29 HG2 GLN 29 0.515 -13.438 6.268 249 HE21 GLN 29 1HE2 GLN 29 -1.342 -15.263 6.945 250 HE22 GLN 29 2HE2 GLN 29 -0.600 -16.765 7.369 251 H ILE 30 HN ILE 30 -1.702 -11.209 2.762 252 HA ILE 30 HA ILE 30 -3.616 -10.498 1.760 253 HB ILE 30 HB ILE 30 -3.632 -13.164 0.345 254 HG12 ILE 30 1HG1 ILE 30 -1.440 -12.140 0.092 255 HG13 ILE 30 2HG1 ILE 30 -2.349 -12.039 -1.436 256 HG21 ILE 30 1HG2 ILE 30 -4.802 -11.922 -1.426 257 HG22 ILE 30 2HG2 ILE 30 -4.769 -10.463 -0.408 258 HG23 ILE 30 3HG2 ILE 30 -5.695 -11.891 0.112 259 HD11 ILE 30 3HD1 ILE 30 -2.900 -9.699 -0.952 260 HD12 ILE 30 1HD1 ILE 30 -1.141 -9.964 -0.979 261 HD13 ILE 30 2HD1 ILE 30 -1.992 -9.801 0.575 262 HA PRO 31 HA PRO 31 -6.092 -13.109 4.732 263 HB2 PRO 31 HB1 PRO 31 -6.806 -11.025 6.357 264 HB3 PRO 31 HB2 PRO 31 -5.302 -11.951 6.580 265 HG2 PRO 31 HG1 PRO 31 -5.728 -9.294 5.240 266 HG3 PRO 31 HG2 PRO 31 -4.440 -9.802 6.358 267 HD2 PRO 31 HD1 PRO 31 -4.073 -9.693 3.664 268 HD3 PRO 31 HD2 PRO 31 -3.244 -10.888 4.690 269 H SER 32 HN SER 32 -8.403 -12.366 5.601 270 HA SER 32 HA SER 32 -9.857 -11.471 3.221 271 HB2 SER 32 HB1 SER 32 -10.867 -12.863 5.721 272 HB3 SER 32 HB2 SER 32 -11.839 -12.480 4.280 273 HG SER 32 HG SER 32 -10.729 -13.974 3.126 274 H TYR 33 HN TYR 33 -8.476 -9.656 5.112 275 HA TYR 33 HA TYR 33 -10.356 -8.351 6.763 276 HB2 TYR 33 HB1 TYR 33 -8.720 -6.750 7.153 277 HB3 TYR 33 HB2 TYR 33 -7.766 -8.191 6.723 278 HD1 TYR 33 HD2 TYR 33 -7.933 -8.228 3.807 279 HD2 TYR 33 HD1 TYR 33 -7.476 -4.915 6.437 280 HE1 TYR 33 HE2 TYR 33 -6.826 -6.964 2.012 281 HE2 TYR 33 HE1 TYR 33 -6.367 -3.640 4.648 282 HH TYR 33 HH TYR 33 -4.974 -4.433 2.417 283 H LYS 34 HN LYS 34 -10.215 -5.676 6.116 284 HA LYS 34 HA LYS 34 -11.947 -5.578 3.745 285 HB2 LYS 34 HB1 LYS 34 -12.260 -3.140 4.898 286 HB3 LYS 34 HB2 LYS 34 -13.267 -4.560 5.269 287 HG2 LYS 34 HG1 LYS 34 -12.606 -3.566 7.337 288 HG3 LYS 34 HG2 LYS 34 -11.697 -5.085 7.148 289 HD2 LYS 34 HD1 LYS 34 -9.741 -3.832 6.371 290 HD3 LYS 34 HD2 LYS 34 -10.649 -2.307 6.517 291 HE2 LYS 34 HE1 LYS 34 -10.072 -4.208 8.810 292 HE3 LYS 34 HE2 LYS 34 -9.127 -2.746 8.439 293 HZ1 LYS 34 HZ1 LYS 34 -11.706 -3.003 9.719 294 HZ2 LYS 34 HZ2 LYS 34 -11.648 -1.796 8.535 295 HZ3 LYS 34 HZ3 LYS 34 -10.558 -1.765 9.830 296 H LYS 35 HN LYS 35 -10.560 -5.307 2.056 297 HA LYS 35 HA LYS 35 -8.251 -3.711 2.060 298 HB2 LYS 35 HB1 LYS 35 -9.230 -5.516 0.351 299 HB3 LYS 35 HB2 LYS 35 -9.777 -4.039 -0.478 300 HG2 LYS 35 HG1 LYS 35 -6.937 -4.819 0.217 301 HG3 LYS 35 HG2 LYS 35 -7.666 -4.695 -1.402 302 HD2 LYS 35 HD1 LYS 35 -8.152 -2.212 -0.626 303 HD3 LYS 35 HD2 LYS 35 -6.795 -2.532 0.481 304 HE2 LYS 35 HE1 LYS 35 -5.852 -1.566 -1.476 305 HE3 LYS 35 HE2 LYS 35 -5.480 -3.306 -1.543 306 HZ1 LYS 35 HZ1 LYS 35 -7.016 -3.646 -3.220 307 HZ2 LYS 35 HZ2 LYS 35 -6.364 -2.142 -3.639 308 HZ3 LYS 35 HZ3 LYS 35 -7.879 -2.229 -2.891 309 H LEU 36 HN LEU 36 -11.580 -3.000 1.089 310 HA LEU 36 HA LEU 36 -11.227 -0.487 -0.014 311 HB2 LEU 36 HB1 LEU 36 -13.465 -1.850 1.412 312 HB3 LEU 36 HB2 LEU 36 -13.598 -0.101 1.104 313 HG LEU 36 HG LEU 36 -14.726 -1.530 -0.592 314 HD11 LEU 36 1HD1 LEU 36 -13.847 -0.336 -2.542 315 HD12 LEU 36 2HD1 LEU 36 -12.408 0.129 -1.603 316 HD13 LEU 36 3HD1 LEU 36 -14.013 0.739 -1.134 317 HD21 LEU 36 3HD2 LEU 36 -11.900 -2.362 -1.279 318 HD22 LEU 36 1HD2 LEU 36 -13.357 -2.732 -2.231 319 HD23 LEU 36 2HD2 LEU 36 -13.167 -3.408 -0.596 320 H ILE 37 HN ILE 37 -12.522 -0.937 3.272 321 HA ILE 37 HA ILE 37 -12.053 1.642 4.165 322 HB ILE 37 HB ILE 37 -12.025 -0.884 5.822 323 HG12 ILE 37 1HG1 ILE 37 -14.068 -0.653 4.498 324 HG13 ILE 37 2HG1 ILE 37 -14.395 -0.395 6.229 325 HG21 ILE 37 1HG2 ILE 37 -12.655 0.582 7.694 326 HG22 ILE 37 2HG2 ILE 37 -12.476 1.996 6.628 327 HG23 ILE 37 3HG2 ILE 37 -11.058 0.998 7.028 328 HD11 ILE 37 3HD1 ILE 37 -14.404 2.031 5.865 329 HD12 ILE 37 1HD1 ILE 37 -15.610 1.213 4.844 330 HD13 ILE 37 2HD1 ILE 37 -14.077 1.773 4.135 331 H MET 38 HN MET 38 -10.341 2.738 4.932 332 HA MET 38 HA MET 38 -7.731 1.478 4.737 333 HB2 MET 38 HB1 MET 38 -8.319 3.791 3.819 334 HB3 MET 38 HB2 MET 38 -8.295 4.341 5.512 335 HG2 MET 38 HG1 MET 38 -5.959 3.583 5.705 336 HG3 MET 38 HG2 MET 38 -5.992 3.093 3.993 337 HE1 MET 38 HE1 MET 38 -3.937 6.095 3.068 338 HE2 MET 38 HE2 MET 38 -4.511 4.482 2.582 339 HE3 MET 38 HE3 MET 38 -3.663 4.695 4.132 340 H TYR 39 HN TYR 39 -9.514 3.374 7.175 341 HA TYR 39 HA TYR 39 -7.637 2.669 9.244 342 HB2 TYR 39 HB1 TYR 39 -10.339 4.003 9.516 343 HB3 TYR 39 HB2 TYR 39 -9.026 3.987 10.718 344 HD1 TYR 39 HD2 TYR 39 -6.883 5.208 10.177 345 HD2 TYR 39 HD1 TYR 39 -10.391 5.641 7.808 346 HE1 TYR 39 HE2 TYR 39 -5.972 7.282 9.219 347 HE2 TYR 39 HE1 TYR 39 -9.489 7.715 6.842 348 HH TYR 39 HH TYR 39 -6.254 8.889 7.704 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -11.995 8.679 -2.410 2 H2 GLY 1 HT2 GLY 1 -13.378 9.720 -2.639 3 H3 GLY 1 HT3 GLY 1 -13.068 9.014 -1.072 4 HA2 GLY 1 HA1 GLY 1 -11.031 10.256 -0.911 5 HA3 GLY 1 HA2 GLY 1 -11.347 10.967 -2.487 6 H ILE 2 HN ILE 2 -11.722 11.337 0.818 7 HA ILE 2 HA ILE 2 -13.872 13.318 0.451 8 HB ILE 2 HB ILE 2 -14.227 13.138 2.908 9 HG12 ILE 2 1HG1 ILE 2 -12.450 10.697 2.702 10 HG13 ILE 2 2HG1 ILE 2 -11.920 12.257 3.376 11 HG21 ILE 2 1HG2 ILE 2 -15.393 10.975 2.834 12 HG22 ILE 2 2HG2 ILE 2 -14.511 10.565 1.344 13 HG23 ILE 2 3HG2 ILE 2 -15.656 11.927 1.354 14 HD11 ILE 2 3HD1 ILE 2 -13.636 12.086 5.120 15 HD12 ILE 2 1HD1 ILE 2 -12.537 10.686 5.145 16 HD13 ILE 2 2HD1 ILE 2 -14.166 10.526 4.446 17 H HIS 3 HN HIS 3 -10.618 12.778 1.535 18 HA HIS 3 HA HIS 3 -10.343 15.319 2.852 19 HB2 HIS 3 HB1 HIS 3 -8.328 13.237 1.985 20 HB3 HIS 3 HB2 HIS 3 -7.894 14.732 2.848 21 HD1 HIS 3 HD1 HIS 3 -8.608 11.298 3.492 22 HD2 HIS 3 HD2 HIS 3 -9.484 14.866 5.431 23 HE1 HIS 3 HE1 HIS 3 -9.163 10.658 5.859 24 H LYS 4 HN LYS 4 -8.925 17.025 2.152 25 HA LYS 4 HA LYS 4 -8.478 17.130 -0.751 26 HB2 LYS 4 HB1 LYS 4 -9.751 19.262 0.978 27 HB3 LYS 4 HB2 LYS 4 -9.152 19.552 -0.673 28 HG2 LYS 4 HG1 LYS 4 -10.716 17.647 -1.380 29 HG3 LYS 4 HG2 LYS 4 -11.464 17.838 0.224 30 HD2 LYS 4 HD1 LYS 4 -12.140 20.057 -0.237 31 HD3 LYS 4 HD2 LYS 4 -11.079 20.168 -1.663 32 HE2 LYS 4 HE1 LYS 4 -13.464 19.897 -2.267 33 HE3 LYS 4 HE2 LYS 4 -12.450 18.558 -2.857 34 HZ1 LYS 4 HZ1 LYS 4 -14.660 17.985 -1.759 35 HZ2 LYS 4 HZ2 LYS 4 -13.916 18.372 -0.290 36 HZ3 LYS 4 HZ3 LYS 4 -13.297 17.123 -1.248 37 H GLN 5 HN GLN 5 -7.125 19.220 -1.245 38 HA GLN 5 HA GLN 5 -4.977 19.385 0.765 39 HB2 GLN 5 HB1 GLN 5 -4.389 18.097 -1.305 40 HB3 GLN 5 HB2 GLN 5 -4.645 19.594 -2.236 41 HG2 GLN 5 HG1 GLN 5 -2.826 20.679 -1.132 42 HG3 GLN 5 HG2 GLN 5 -2.661 19.343 0.033 43 HE21 GLN 5 1HE2 GLN 5 -0.423 19.957 -1.125 44 HE22 GLN 5 2HE2 GLN 5 0.013 18.853 -2.381 45 H LYS 6 HN LYS 6 -4.958 21.326 1.672 46 HA LYS 6 HA LYS 6 -5.443 23.677 -0.037 47 HB2 LYS 6 HB1 LYS 6 -6.215 23.345 2.873 48 HB3 LYS 6 HB2 LYS 6 -6.456 24.808 1.888 49 HG2 LYS 6 HG1 LYS 6 -7.869 23.343 0.349 50 HG3 LYS 6 HG2 LYS 6 -7.830 22.132 1.653 51 HD2 LYS 6 HD1 LYS 6 -8.683 24.985 2.159 52 HD3 LYS 6 HD2 LYS 6 -9.828 23.754 1.573 53 HE2 LYS 6 HE1 LYS 6 -10.126 23.561 3.849 54 HE3 LYS 6 HE2 LYS 6 -8.852 22.347 3.581 55 HZ1 LYS 6 HZ1 LYS 6 -8.742 24.400 5.359 56 HZ2 LYS 6 HZ2 LYS 6 -7.815 24.984 4.071 57 HZ3 LYS 6 HZ3 LYS 6 -7.417 23.511 4.801 58 H GLU 7 HN GLU 7 -2.907 22.515 0.437 59 HA GLU 7 HA GLU 7 -1.656 24.574 2.135 60 HB2 GLU 7 HB1 GLU 7 -0.633 21.787 1.539 61 HB3 GLU 7 HB2 GLU 7 0.180 23.006 2.550 62 HG2 GLU 7 HG1 GLU 7 -1.656 22.935 4.148 63 HG3 GLU 7 HG2 GLU 7 -2.520 21.762 3.125 64 H LYS 8 HN LYS 8 0.843 24.645 1.471 65 HA LYS 8 HA LYS 8 0.829 25.322 -1.381 66 HB2 LYS 8 HB1 LYS 8 2.401 26.256 0.994 67 HB3 LYS 8 HB2 LYS 8 3.100 26.421 -0.635 68 HG2 LYS 8 HG1 LYS 8 2.075 28.456 -0.417 69 HG3 LYS 8 HG2 LYS 8 0.762 27.519 -1.169 70 HD2 LYS 8 HD1 LYS 8 -0.231 27.116 1.033 71 HD3 LYS 8 HD2 LYS 8 1.098 28.010 1.808 72 HE2 LYS 8 HE1 LYS 8 0.425 30.062 0.764 73 HE3 LYS 8 HE2 LYS 8 -0.761 29.215 -0.258 74 HZ1 LYS 8 HZ1 LYS 8 -1.888 28.560 1.869 75 HZ2 LYS 8 HZ2 LYS 8 -1.948 30.211 1.503 76 HZ3 LYS 8 HZ3 LYS 8 -0.872 29.644 2.679 77 H SER 9 HN SER 9 1.162 22.579 -0.285 78 HA SER 9 HA SER 9 2.441 20.722 -0.605 79 HB2 SER 9 HB1 SER 9 3.299 20.445 -2.743 80 HB3 SER 9 HB2 SER 9 2.173 21.802 -2.992 81 HG SER 9 HG SER 9 4.957 21.757 -3.029 82 H ARG 10 HN ARG 10 3.444 22.779 1.204 83 HA ARG 10 HA ARG 10 6.349 22.429 0.927 84 HB2 ARG 10 HB1 ARG 10 4.616 24.471 2.256 85 HB3 ARG 10 HB2 ARG 10 6.231 24.155 2.935 86 HG2 ARG 10 HG1 ARG 10 7.247 24.682 0.767 87 HG3 ARG 10 HG2 ARG 10 5.633 24.993 0.084 88 HD2 ARG 10 HD1 ARG 10 5.362 26.716 1.967 89 HD3 ARG 10 HD2 ARG 10 7.119 26.552 2.204 90 HE ARG 10 HE ARG 10 5.768 27.886 0.029 91 HH11 ARG 10 1HH1 ARG 10 8.709 26.351 1.086 92 HH12 ARG 10 2HH1 ARG 10 9.709 27.188 -0.055 93 HH21 ARG 10 1HH2 ARG 10 7.074 28.993 -1.477 94 HH22 ARG 10 2HH2 ARG 10 8.778 28.690 -1.511 95 H LEU 11 HN LEU 11 3.605 21.716 2.953 96 HA LEU 11 HA LEU 11 5.368 20.427 4.922 97 HB2 LEU 11 HB1 LEU 11 2.514 21.386 5.062 98 HB3 LEU 11 HB2 LEU 11 3.221 20.309 6.291 99 HG LEU 11 HG LEU 11 4.171 23.102 5.621 100 HD11 LEU 11 1HD1 LEU 11 3.315 23.680 7.842 101 HD12 LEU 11 2HD1 LEU 11 2.684 22.026 8.023 102 HD13 LEU 11 3HD1 LEU 11 2.019 23.100 6.769 103 HD21 LEU 11 3HD2 LEU 11 5.079 21.156 7.751 104 HD22 LEU 11 1HD2 LEU 11 5.620 22.842 7.581 105 HD23 LEU 11 2HD2 LEU 11 6.008 21.651 6.317 106 H GLN 12 HN GLN 12 2.380 19.884 3.070 107 HA GLN 12 HA GLN 12 1.231 17.941 2.627 108 HB2 GLN 12 HB1 GLN 12 4.090 17.347 1.865 109 HB3 GLN 12 HB2 GLN 12 2.753 16.229 1.500 110 HG2 GLN 12 HG1 GLN 12 1.664 18.346 0.414 111 HG3 GLN 12 HG2 GLN 12 3.339 18.946 0.378 112 HE21 GLN 12 1HE2 GLN 12 4.891 17.055 -0.368 113 HE22 GLN 12 2HE2 GLN 12 4.417 16.305 -1.850 114 H GLY 13 HN GLY 13 1.981 18.144 5.389 115 HA2 GLY 13 HA1 GLY 13 3.202 15.979 6.548 116 HA3 GLY 13 HA2 GLY 13 1.820 16.804 7.253 117 H GLY 14 HN GLY 14 0.027 16.088 5.054 118 HA2 GLY 14 HA1 GLY 14 -1.188 13.844 6.057 119 HA3 GLY 14 HA2 GLY 14 -1.352 14.370 4.388 120 H VAL 15 HN VAL 15 1.483 13.985 3.792 121 HA VAL 15 HA VAL 15 1.469 11.482 2.679 122 HB VAL 15 HB VAL 15 3.923 11.609 2.564 123 HG11 VAL 15 1HG1 VAL 15 4.081 13.731 1.335 124 HG12 VAL 15 2HG1 VAL 15 2.532 14.245 2.044 125 HG13 VAL 15 3HG1 VAL 15 2.587 12.848 0.943 126 HG21 VAL 15 3HG2 VAL 15 3.601 14.017 4.370 127 HG22 VAL 15 1HG2 VAL 15 5.109 13.513 3.572 128 HG23 VAL 15 2HG2 VAL 15 4.364 12.469 4.805 129 H LEU 16 HN LEU 16 2.367 12.385 5.948 130 HA LEU 16 HA LEU 16 3.717 10.174 6.841 131 HB2 LEU 16 HB1 LEU 16 1.887 12.147 8.084 132 HB3 LEU 16 HB2 LEU 16 2.186 10.653 9.004 133 HG LEU 16 HG LEU 16 3.677 12.425 9.729 134 HD11 LEU 16 1HD1 LEU 16 5.820 11.271 9.453 135 HD12 LEU 16 2HD1 LEU 16 5.120 10.296 8.139 136 HD13 LEU 16 3HD1 LEU 16 4.499 10.130 9.798 137 HD21 LEU 16 3HD2 LEU 16 4.658 12.473 6.866 138 HD22 LEU 16 1HD2 LEU 16 5.374 13.366 8.228 139 HD23 LEU 16 2HD2 LEU 16 3.727 13.754 7.678 140 H VAL 17 HN VAL 17 0.175 10.595 6.945 141 HA VAL 17 HA VAL 17 -0.561 8.146 7.934 142 HB VAL 17 HB VAL 17 -1.966 9.722 5.774 143 HG11 VAL 17 1HG1 VAL 17 -3.996 8.527 6.475 144 HG12 VAL 17 2HG1 VAL 17 -3.017 7.537 7.584 145 HG13 VAL 17 3HG1 VAL 17 -2.765 7.418 5.826 146 HG21 VAL 17 3HG2 VAL 17 -2.312 9.701 8.780 147 HG22 VAL 17 1HG2 VAL 17 -3.319 10.607 7.626 148 HG23 VAL 17 2HG2 VAL 17 -1.596 11.012 7.811 149 H ASN 18 HN ASN 18 0.175 8.974 4.567 150 HA ASN 18 HA ASN 18 -0.529 6.657 3.280 151 HB2 ASN 18 HB1 ASN 18 0.986 8.934 2.666 152 HB3 ASN 18 HB2 ASN 18 2.063 7.556 2.335 153 HD21 ASN 18 1HD2 ASN 18 -1.355 8.444 1.861 154 HD22 ASN 18 2HD2 ASN 18 -1.454 7.868 0.235 155 H GLU 19 HN GLU 19 2.265 7.244 5.317 156 HA GLU 19 HA GLU 19 3.910 5.137 4.714 157 HB2 GLU 19 HB1 GLU 19 4.927 5.458 6.760 158 HB3 GLU 19 HB2 GLU 19 4.076 7.006 6.542 159 HG2 GLU 19 HG1 GLU 19 2.161 5.866 7.866 160 HG3 GLU 19 HG2 GLU 19 3.419 4.710 8.366 161 H ILE 20 HN ILE 20 0.800 5.050 6.246 162 HA ILE 20 HA ILE 20 0.785 2.699 7.639 163 HB ILE 20 HB ILE 20 -1.179 4.145 7.463 164 HG12 ILE 20 1HG1 ILE 20 -2.675 1.954 6.551 165 HG13 ILE 20 2HG1 ILE 20 -1.184 1.257 7.229 166 HG21 ILE 20 1HG2 ILE 20 -2.639 4.049 5.488 167 HG22 ILE 20 2HG2 ILE 20 -1.436 3.029 4.664 168 HG23 ILE 20 3HG2 ILE 20 -1.033 4.707 5.099 169 HD11 ILE 20 3HD1 ILE 20 -1.589 2.442 9.338 170 HD12 ILE 20 1HD1 ILE 20 -2.953 1.381 8.911 171 HD13 ILE 20 2HD1 ILE 20 -3.080 3.138 8.660 172 H LEU 21 HN LEU 21 0.567 3.106 4.133 173 HA LEU 21 HA LEU 21 -0.049 0.549 3.334 174 HB2 LEU 21 HB1 LEU 21 1.133 1.029 1.253 175 HB3 LEU 21 HB2 LEU 21 0.152 2.415 1.787 176 HG LEU 21 HG LEU 21 2.530 3.106 2.843 177 HD11 LEU 21 1HD1 LEU 21 4.304 2.628 1.222 178 HD12 LEU 21 2HD1 LEU 21 3.195 1.561 0.329 179 HD13 LEU 21 3HD1 LEU 21 3.692 1.140 1.985 180 HD21 LEU 21 3HD2 LEU 21 1.645 3.576 -0.013 181 HD22 LEU 21 1HD2 LEU 21 2.814 4.565 0.894 182 HD23 LEU 21 2HD2 LEU 21 1.114 4.493 1.417 183 H ASN 22 HN ASN 22 3.147 1.850 4.155 184 HA ASN 22 HA ASN 22 4.739 -0.303 3.506 185 HB2 ASN 22 HB1 ASN 22 4.972 2.064 5.111 186 HB3 ASN 22 HB2 ASN 22 5.701 0.695 5.986 187 HD21 ASN 22 1HD2 ASN 22 6.273 3.094 3.785 188 HD22 ASN 22 2HD2 ASN 22 7.685 2.452 3.025 189 H HIS 23 HN HIS 23 3.578 0.344 6.818 190 HA HIS 23 HA HIS 23 4.239 -2.094 7.928 191 HB2 HIS 23 HB1 HIS 23 3.282 -1.253 9.766 192 HB3 HIS 23 HB2 HIS 23 2.937 0.189 8.781 193 HD1 HIS 23 HD1 HIS 23 0.503 0.585 8.090 194 HD2 HIS 23 HD2 HIS 23 1.055 -2.948 10.202 195 HE1 HIS 23 HE1 HIS 23 -1.808 -0.220 8.669 196 H MET 24 HN MET 24 1.346 -1.201 6.120 197 HA MET 24 HA MET 24 -0.274 -3.378 6.588 198 HB2 MET 24 HB1 MET 24 -0.089 -1.283 4.636 199 HB3 MET 24 HB2 MET 24 -0.475 -2.816 3.817 200 HG2 MET 24 HG1 MET 24 -2.031 -2.324 6.261 201 HG3 MET 24 HG2 MET 24 -2.291 -1.125 4.971 202 HE1 MET 24 HE1 MET 24 -4.903 -4.464 5.286 203 HE2 MET 24 HE2 MET 24 -4.679 -2.861 6.025 204 HE3 MET 24 HE3 MET 24 -3.603 -4.205 6.473 205 H LYS 25 HN LYS 25 2.631 -3.187 4.679 206 HA LYS 25 HA LYS 25 2.442 -5.346 2.999 207 HB2 LYS 25 HB1 LYS 25 4.786 -5.376 2.894 208 HB3 LYS 25 HB2 LYS 25 4.380 -3.696 3.322 209 HG2 LYS 25 HG1 LYS 25 4.787 -4.328 5.730 210 HG3 LYS 25 HG2 LYS 25 5.437 -5.874 5.133 211 HD2 LYS 25 HD1 LYS 25 6.995 -4.469 3.670 212 HD3 LYS 25 HD2 LYS 25 6.495 -3.081 4.667 213 HE2 LYS 25 HE1 LYS 25 7.135 -4.623 6.672 214 HE3 LYS 25 HE2 LYS 25 8.058 -5.531 5.450 215 HZ1 LYS 25 HZ1 LYS 25 9.447 -3.886 6.512 216 HZ2 LYS 25 HZ2 LYS 25 8.374 -2.643 6.104 217 HZ3 LYS 25 HZ3 LYS 25 9.219 -3.463 4.890 218 H ARG 26 HN ARG 26 2.891 -5.339 6.466 219 HA ARG 26 HA ARG 26 3.821 -7.877 6.960 220 HB2 ARG 26 HB1 ARG 26 3.215 -5.989 8.606 221 HB3 ARG 26 HB2 ARG 26 1.576 -6.684 8.581 222 HG2 ARG 26 HG1 ARG 26 3.813 -8.571 9.087 223 HG3 ARG 26 HG2 ARG 26 3.461 -7.384 10.367 224 HD2 ARG 26 HD1 ARG 26 0.963 -8.156 9.895 225 HD3 ARG 26 HD2 ARG 26 1.783 -9.623 9.308 226 HE ARG 26 HE ARG 26 2.737 -8.812 11.876 227 HH11 ARG 26 1HH1 ARG 26 0.135 -10.447 10.241 228 HH12 ARG 26 2HH1 ARG 26 -0.284 -11.425 11.608 229 HH21 ARG 26 1HH2 ARG 26 2.195 -10.095 13.683 230 HH22 ARG 26 2HH2 ARG 26 0.888 -11.223 13.566 231 H ALA 27 HN ALA 27 0.632 -6.889 5.923 232 HA ALA 27 HA ALA 27 -0.498 -9.530 6.326 233 HB1 ALA 27 HB1 ALA 27 -2.557 -8.559 5.390 234 HB2 ALA 27 HB2 ALA 27 -1.675 -7.051 5.051 235 HB3 ALA 27 HB3 ALA 27 -1.907 -7.588 6.732 236 H THR 28 HN THR 28 1.772 -9.259 4.519 237 HA THR 28 HA THR 28 2.435 -9.708 2.360 238 HB THR 28 HB THR 28 0.238 -11.742 2.269 239 HG1 THR 28 HG1 THR 28 2.528 -11.853 3.969 240 HG21 THR 28 3HG2 THR 28 1.867 -11.660 0.440 241 HG22 THR 28 1HG2 THR 28 2.040 -13.161 1.380 242 HG23 THR 28 2HG2 THR 28 3.195 -11.827 1.613 243 H GLN 29 HN GLN 29 0.481 -7.607 2.468 244 HA GLN 29 HA GLN 29 -1.519 -7.988 0.488 245 HB2 GLN 29 HB1 GLN 29 -1.960 -5.662 0.678 246 HB3 GLN 29 HB2 GLN 29 -1.528 -6.237 2.307 247 HG2 GLN 29 HG1 GLN 29 0.024 -4.663 2.429 248 HG3 GLN 29 HG2 GLN 29 0.873 -5.413 1.055 249 HE21 GLN 29 1HE2 GLN 29 -2.225 -3.689 1.265 250 HE22 GLN 29 2HE2 GLN 29 -1.824 -2.471 0.108 251 H ILE 30 HN ILE 30 1.813 -7.649 0.270 252 HA ILE 30 HA ILE 30 3.245 -7.440 -1.487 253 HB ILE 30 HB ILE 30 0.827 -7.511 -3.288 254 HG12 ILE 30 1HG1 ILE 30 2.430 -9.826 -2.169 255 HG13 ILE 30 2HG1 ILE 30 0.770 -9.391 -1.693 256 HG21 ILE 30 1HG2 ILE 30 2.401 -8.482 -4.909 257 HG22 ILE 30 2HG2 ILE 30 3.715 -8.300 -3.723 258 HG23 ILE 30 3HG2 ILE 30 2.905 -6.859 -4.381 259 HD11 ILE 30 3HD1 ILE 30 -0.003 -9.847 -3.976 260 HD12 ILE 30 1HD1 ILE 30 0.784 -11.272 -3.255 261 HD13 ILE 30 2HD1 ILE 30 1.656 -10.283 -4.451 262 HA PRO 31 HA PRO 31 2.204 -2.923 -1.668 263 HB2 PRO 31 HB1 PRO 31 4.598 -2.101 -0.624 264 HB3 PRO 31 HB2 PRO 31 3.206 -2.547 0.391 265 HG2 PRO 31 HG1 PRO 31 5.622 -4.170 -0.359 266 HG3 PRO 31 HG2 PRO 31 4.811 -4.012 1.218 267 HD2 PRO 31 HD1 PRO 31 4.417 -6.152 -0.417 268 HD3 PRO 31 HD2 PRO 31 3.141 -5.526 0.655 269 H SER 32 HN SER 32 3.175 -1.283 -2.978 270 HA SER 32 HA SER 32 4.980 -2.381 -5.026 271 HB2 SER 32 HB1 SER 32 3.128 0.011 -5.258 272 HB3 SER 32 HB2 SER 32 4.053 -0.756 -6.572 273 HG SER 32 HG SER 32 2.243 -1.837 -6.805 274 H TYR 33 HN TYR 33 5.751 -1.186 -2.427 275 HA TYR 33 HA TYR 33 6.725 1.420 -2.725 276 HB2 TYR 33 HB1 TYR 33 8.024 1.036 -0.782 277 HB3 TYR 33 HB2 TYR 33 6.535 0.079 -0.588 278 HD1 TYR 33 HD2 TYR 33 6.616 -2.388 -0.870 279 HD2 TYR 33 HD1 TYR 33 10.161 -0.035 -0.923 280 HE1 TYR 33 HE2 TYR 33 7.959 -4.414 -0.498 281 HE2 TYR 33 HE1 TYR 33 11.515 -2.055 -0.552 282 HH TYR 33 HH TYR 33 11.428 -4.385 -0.719 283 H LYS 34 HN LYS 34 9.361 1.537 -2.274 284 HA LYS 34 HA LYS 34 10.464 0.987 -4.866 285 HB2 LYS 34 HB1 LYS 34 12.517 2.050 -3.944 286 HB3 LYS 34 HB2 LYS 34 11.055 3.052 -3.778 287 HG2 LYS 34 HG1 LYS 34 11.637 1.306 -1.474 288 HG3 LYS 34 HG2 LYS 34 12.850 2.571 -1.789 289 HD2 LYS 34 HD1 LYS 34 9.962 3.340 -1.860 290 HD3 LYS 34 HD2 LYS 34 10.706 3.018 -0.275 291 HE2 LYS 34 HE1 LYS 34 11.917 4.891 -2.322 292 HE3 LYS 34 HE2 LYS 34 10.768 5.428 -1.073 293 HZ1 LYS 34 HZ1 LYS 34 13.552 4.589 -0.808 294 HZ2 LYS 34 HZ2 LYS 34 12.504 4.134 0.438 295 HZ3 LYS 34 HZ3 LYS 34 12.687 5.768 0.043 296 H LYS 35 HN LYS 35 9.967 -1.428 -4.328 297 HA LYS 35 HA LYS 35 11.868 -2.793 -2.680 298 HB2 LYS 35 HB1 LYS 35 9.584 -3.656 -3.145 299 HB3 LYS 35 HB2 LYS 35 10.063 -3.910 -4.841 300 HG2 LYS 35 HG1 LYS 35 11.969 -5.358 -3.816 301 HG3 LYS 35 HG2 LYS 35 10.931 -5.383 -2.370 302 HD2 LYS 35 HD1 LYS 35 9.583 -5.963 -4.950 303 HD3 LYS 35 HD2 LYS 35 10.754 -7.182 -4.389 304 HE2 LYS 35 HE1 LYS 35 8.563 -6.062 -2.626 305 HE3 LYS 35 HE2 LYS 35 8.348 -7.509 -3.642 306 HZ1 LYS 35 HZ1 LYS 35 10.733 -7.748 -2.153 307 HZ2 LYS 35 HZ2 LYS 35 9.348 -8.717 -2.098 308 HZ3 LYS 35 HZ3 LYS 35 9.470 -7.360 -1.097 309 H LEU 36 HN LEU 36 11.745 -1.773 -5.990 310 HA LEU 36 HA LEU 36 13.503 -3.521 -7.220 311 HB2 LEU 36 HB1 LEU 36 14.137 -1.472 -8.629 312 HB3 LEU 36 HB2 LEU 36 12.439 -2.007 -8.628 313 HG LEU 36 HG LEU 36 12.845 -0.029 -6.578 314 HD11 LEU 36 1HD1 LEU 36 13.371 1.891 -8.006 315 HD12 LEU 36 2HD1 LEU 36 13.673 0.789 -9.370 316 HD13 LEU 36 3HD1 LEU 36 14.723 0.736 -7.934 317 HD21 LEU 36 3HD2 LEU 36 11.254 -0.031 -9.151 318 HD22 LEU 36 1HD2 LEU 36 11.044 1.102 -7.796 319 HD23 LEU 36 2HD2 LEU 36 10.696 -0.629 -7.570 320 H ILE 37 HN ILE 37 14.218 -0.629 -5.303 321 HA ILE 37 HA ILE 37 16.996 -1.576 -5.076 322 HB ILE 37 HB ILE 37 16.130 1.307 -5.332 323 HG12 ILE 37 1HG1 ILE 37 16.071 0.050 -7.456 324 HG13 ILE 37 2HG1 ILE 37 17.338 1.301 -7.442 325 HG21 ILE 37 1HG2 ILE 37 18.535 1.819 -5.302 326 HG22 ILE 37 2HG2 ILE 37 18.883 0.101 -4.995 327 HG23 ILE 37 3HG2 ILE 37 17.996 1.059 -3.786 328 HD11 ILE 37 3HD1 ILE 37 19.027 -0.415 -6.973 329 HD12 ILE 37 1HD1 ILE 37 18.138 -0.765 -8.475 330 HD13 ILE 37 2HD1 ILE 37 17.760 -1.665 -6.987 331 H MET 38 HN MET 38 17.812 -1.645 -3.061 332 HA MET 38 HA MET 38 16.040 -1.118 -0.852 333 HB2 MET 38 HB1 MET 38 18.718 -2.393 -1.204 334 HB3 MET 38 HB2 MET 38 18.259 -1.817 0.417 335 HG2 MET 38 HG1 MET 38 16.194 -3.192 0.264 336 HG3 MET 38 HG2 MET 38 16.785 -3.838 -1.286 337 HE1 MET 38 HE1 MET 38 17.329 -5.863 2.529 338 HE2 MET 38 HE2 MET 38 15.953 -5.464 1.474 339 HE3 MET 38 HE3 MET 38 16.694 -4.201 2.486 340 H TYR 39 HN TYR 39 19.030 0.246 -2.138 341 HA TYR 39 HA TYR 39 19.297 2.149 0.005 342 HB2 TYR 39 HB1 TYR 39 20.757 1.562 -2.541 343 HB3 TYR 39 HB2 TYR 39 20.993 3.143 -1.757 344 HD1 TYR 39 HD2 TYR 39 21.740 3.137 0.697 345 HD2 TYR 39 HD1 TYR 39 21.941 -0.315 -1.781 346 HE1 TYR 39 HE2 TYR 39 23.378 2.136 2.235 347 HE2 TYR 39 HE1 TYR 39 23.580 -1.326 -0.250 348 HH TYR 39 HH TYR 39 24.120 -0.258 2.827 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -19.498 15.423 2.385 2 H2 GLY 1 HT2 GLY 1 -18.836 13.929 1.768 3 H3 GLY 1 HT3 GLY 1 -20.563 14.196 1.744 4 HA2 GLY 1 HA1 GLY 1 -20.266 16.004 0.210 5 HA3 GLY 1 HA2 GLY 1 -18.530 15.733 0.234 6 H ILE 2 HN ILE 2 -21.463 13.735 -0.144 7 HA ILE 2 HA ILE 2 -20.173 11.894 -1.891 8 HB ILE 2 HB ILE 2 -22.090 11.227 -0.521 9 HG12 ILE 2 1HG1 ILE 2 -22.984 11.019 -3.386 10 HG13 ILE 2 2HG1 ILE 2 -21.489 10.222 -2.840 11 HG21 ILE 2 1HG2 ILE 2 -24.366 11.936 -1.120 12 HG22 ILE 2 2HG2 ILE 2 -23.686 13.055 -2.326 13 HG23 ILE 2 3HG2 ILE 2 -23.357 13.306 -0.595 14 HD11 ILE 2 3HD1 ILE 2 -22.771 8.962 -1.172 15 HD12 ILE 2 1HD1 ILE 2 -23.382 8.675 -2.818 16 HD13 ILE 2 2HD1 ILE 2 -24.266 9.759 -1.718 17 H HIS 3 HN HIS 3 -21.921 14.859 -2.346 18 HA HIS 3 HA HIS 3 -21.586 14.561 -5.256 19 HB2 HIS 3 HB1 HIS 3 -23.638 16.037 -5.472 20 HB3 HIS 3 HB2 HIS 3 -23.921 14.368 -4.920 21 HD1 HIS 3 HD1 HIS 3 -23.557 17.858 -3.432 22 HD2 HIS 3 HD2 HIS 3 -25.353 14.204 -2.612 23 HE1 HIS 3 HE1 HIS 3 -24.942 18.240 -1.369 24 H LYS 4 HN LYS 4 -19.890 15.809 -3.183 25 HA LYS 4 HA LYS 4 -19.256 18.197 -4.582 26 HB2 LYS 4 HB1 LYS 4 -21.199 19.028 -3.316 27 HB3 LYS 4 HB2 LYS 4 -20.412 18.524 -1.801 28 HG2 LYS 4 HG1 LYS 4 -18.533 20.093 -2.360 29 HG3 LYS 4 HG2 LYS 4 -19.520 20.689 -3.717 30 HD2 LYS 4 HD1 LYS 4 -20.766 20.593 -1.001 31 HD3 LYS 4 HD2 LYS 4 -19.557 21.858 -1.326 32 HE2 LYS 4 HE1 LYS 4 -21.995 21.320 -3.050 33 HE3 LYS 4 HE2 LYS 4 -21.909 22.565 -1.781 34 HZ1 LYS 4 HZ1 LYS 4 -20.764 23.917 -3.113 35 HZ2 LYS 4 HZ2 LYS 4 -21.233 22.911 -4.389 36 HZ3 LYS 4 HZ3 LYS 4 -19.726 22.695 -3.651 37 H GLN 5 HN GLN 5 -17.164 18.725 -4.257 38 HA GLN 5 HA GLN 5 -15.773 17.380 -2.035 39 HB2 GLN 5 HB1 GLN 5 -14.908 17.936 -4.869 40 HB3 GLN 5 HB2 GLN 5 -13.732 17.582 -3.579 41 HG2 GLN 5 HG1 GLN 5 -14.077 15.519 -4.591 42 HG3 GLN 5 HG2 GLN 5 -15.136 15.467 -3.161 43 HE21 GLN 5 1HE2 GLN 5 -16.948 14.466 -3.622 44 HE22 GLN 5 2HE2 GLN 5 -17.864 14.616 -5.080 45 H LYS 6 HN LYS 6 -13.662 18.480 -1.455 46 HA LYS 6 HA LYS 6 -14.058 21.401 -1.453 47 HB2 LYS 6 HB1 LYS 6 -12.962 21.468 0.724 48 HB3 LYS 6 HB2 LYS 6 -14.374 20.385 0.763 49 HG2 LYS 6 HG1 LYS 6 -11.708 19.186 0.176 50 HG3 LYS 6 HG2 LYS 6 -12.041 19.717 1.843 51 HD2 LYS 6 HD1 LYS 6 -14.132 18.103 0.448 52 HD3 LYS 6 HD2 LYS 6 -12.652 17.267 0.979 53 HE2 LYS 6 HE1 LYS 6 -14.221 19.061 2.834 54 HE3 LYS 6 HE2 LYS 6 -14.642 17.346 2.608 55 HZ1 LYS 6 HZ1 LYS 6 -12.482 16.709 3.379 56 HZ2 LYS 6 HZ2 LYS 6 -13.152 17.767 4.515 57 HZ3 LYS 6 HZ3 LYS 6 -11.958 18.316 3.450 58 H GLU 7 HN GLU 7 -11.847 22.498 -0.791 59 HA GLU 7 HA GLU 7 -9.934 21.637 -2.820 60 HB2 GLU 7 HB1 GLU 7 -8.937 23.830 -2.594 61 HB3 GLU 7 HB2 GLU 7 -10.700 23.992 -2.782 62 HG2 GLU 7 HG1 GLU 7 -10.653 24.005 -0.150 63 HG3 GLU 7 HG2 GLU 7 -8.966 24.516 -0.402 64 H LYS 8 HN LYS 8 -10.219 22.057 0.643 65 HA LYS 8 HA LYS 8 -7.416 21.558 1.131 66 HB2 LYS 8 HB1 LYS 8 -9.785 21.749 3.010 67 HB3 LYS 8 HB2 LYS 8 -8.092 21.568 3.529 68 HG2 LYS 8 HG1 LYS 8 -9.149 23.878 1.881 69 HG3 LYS 8 HG2 LYS 8 -8.947 23.902 3.650 70 HD2 LYS 8 HD1 LYS 8 -6.492 23.130 3.048 71 HD3 LYS 8 HD2 LYS 8 -6.878 23.883 1.482 72 HE2 LYS 8 HE1 LYS 8 -5.992 25.686 2.604 73 HE3 LYS 8 HE2 LYS 8 -7.715 25.868 3.008 74 HZ1 LYS 8 HZ1 LYS 8 -6.965 25.941 5.098 75 HZ2 LYS 8 HZ2 LYS 8 -5.473 25.241 4.719 76 HZ3 LYS 8 HZ3 LYS 8 -6.827 24.259 4.978 77 H SER 9 HN SER 9 -7.721 19.494 -0.226 78 HA SER 9 HA SER 9 -9.076 17.254 0.672 79 HB2 SER 9 HB1 SER 9 -6.332 16.940 -0.504 80 HB3 SER 9 HB2 SER 9 -7.820 16.022 -0.842 81 HG SER 9 HG SER 9 -8.446 17.526 -2.231 82 H ARG 10 HN ARG 10 -5.642 18.020 1.275 83 HA ARG 10 HA ARG 10 -5.748 17.262 4.000 84 HB2 ARG 10 HB1 ARG 10 -5.867 15.036 2.642 85 HB3 ARG 10 HB2 ARG 10 -4.131 15.325 2.370 86 HG2 ARG 10 HG1 ARG 10 -4.258 13.896 4.241 87 HG3 ARG 10 HG2 ARG 10 -3.910 15.515 4.895 88 HD2 ARG 10 HD1 ARG 10 -5.615 14.406 6.238 89 HD3 ARG 10 HD2 ARG 10 -6.306 15.815 5.397 90 HE ARG 10 HE ARG 10 -7.677 14.395 4.232 91 HH11 ARG 10 1HH1 ARG 10 -5.143 12.542 5.737 92 HH12 ARG 10 2HH1 ARG 10 -5.851 11.010 5.342 93 HH21 ARG 10 1HH2 ARG 10 -8.619 12.385 3.707 94 HH22 ARG 10 2HH2 ARG 10 -7.827 10.922 4.187 95 H LEU 11 HN LEU 11 -4.141 18.280 5.013 96 HA LEU 11 HA LEU 11 -2.344 19.956 3.742 97 HB2 LEU 11 HB1 LEU 11 -2.383 18.720 6.480 98 HB3 LEU 11 HB2 LEU 11 -1.049 19.784 5.971 99 HG LEU 11 HG LEU 11 -3.887 20.733 5.778 100 HD11 LEU 11 1HD1 LEU 11 -3.716 21.646 8.044 101 HD12 LEU 11 2HD1 LEU 11 -2.170 20.792 8.267 102 HD13 LEU 11 3HD1 LEU 11 -3.675 19.867 8.049 103 HD21 LEU 11 3HD2 LEU 11 -1.236 22.107 6.274 104 HD22 LEU 11 1HD2 LEU 11 -2.816 22.912 6.126 105 HD23 LEU 11 2HD2 LEU 11 -2.119 22.056 4.730 106 H GLN 12 HN GLN 12 0.006 19.873 3.650 107 HA GLN 12 HA GLN 12 1.021 17.778 2.205 108 HB2 GLN 12 HB1 GLN 12 2.266 19.928 3.867 109 HB3 GLN 12 HB2 GLN 12 3.307 18.616 3.261 110 HG2 GLN 12 HG1 GLN 12 3.313 20.582 1.784 111 HG3 GLN 12 HG2 GLN 12 2.682 19.126 0.976 112 HE21 GLN 12 1HE2 GLN 12 1.642 22.034 2.720 113 HE22 GLN 12 2HE2 GLN 12 0.179 22.258 1.829 114 H GLY 13 HN GLY 13 1.513 18.319 5.699 115 HA2 GLY 13 HA1 GLY 13 3.016 16.112 6.324 116 HA3 GLY 13 HA2 GLY 13 1.821 16.809 7.408 117 H GLY 14 HN GLY 14 -0.424 16.221 5.630 118 HA2 GLY 14 HA1 GLY 14 -1.321 13.843 6.659 119 HA3 GLY 14 HA2 GLY 14 -1.886 14.514 5.136 120 H VAL 15 HN VAL 15 0.725 14.310 3.849 121 HA VAL 15 HA VAL 15 0.499 11.918 2.532 122 HB VAL 15 HB VAL 15 2.834 12.172 1.831 123 HG11 VAL 15 1HG1 VAL 15 2.661 14.420 0.854 124 HG12 VAL 15 2HG1 VAL 15 1.331 14.794 1.976 125 HG13 VAL 15 3HG1 VAL 15 1.125 13.528 0.742 126 HG21 VAL 15 3HG2 VAL 15 2.951 14.353 3.926 127 HG22 VAL 15 1HG2 VAL 15 4.216 13.998 2.726 128 HG23 VAL 15 2HG2 VAL 15 3.813 12.797 3.976 129 H LEU 16 HN LEU 16 2.126 12.563 5.571 130 HA LEU 16 HA LEU 16 3.710 10.351 5.898 131 HB2 LEU 16 HB1 LEU 16 2.137 12.068 7.748 132 HB3 LEU 16 HB2 LEU 16 2.784 10.541 8.394 133 HG LEU 16 HG LEU 16 5.058 11.296 7.662 134 HD11 LEU 16 1HD1 LEU 16 5.393 13.675 7.188 135 HD12 LEU 16 2HD1 LEU 16 3.631 13.920 7.194 136 HD13 LEU 16 3HD1 LEU 16 4.382 12.895 5.948 137 HD21 LEU 16 3HD2 LEU 16 3.591 13.082 9.615 138 HD22 LEU 16 1HD2 LEU 16 5.355 12.870 9.519 139 HD23 LEU 16 2HD2 LEU 16 4.319 11.499 9.981 140 H VAL 17 HN VAL 17 0.217 10.556 6.094 141 HA VAL 17 HA VAL 17 -0.465 8.229 7.373 142 HB VAL 17 HB VAL 17 -1.776 9.419 4.925 143 HG11 VAL 17 1HG1 VAL 17 -3.788 8.184 5.613 144 HG12 VAL 17 2HG1 VAL 17 -2.851 7.398 6.906 145 HG13 VAL 17 3HG1 VAL 17 -2.447 7.090 5.200 146 HG21 VAL 17 3HG2 VAL 17 -2.371 9.735 7.876 147 HG22 VAL 17 1HG2 VAL 17 -3.328 10.427 6.546 148 HG23 VAL 17 2HG2 VAL 17 -1.652 10.964 6.809 149 H ASN 18 HN ASN 18 0.564 8.624 4.013 150 HA ASN 18 HA ASN 18 0.047 6.144 2.972 151 HB2 ASN 18 HB1 ASN 18 1.587 8.363 2.235 152 HB3 ASN 18 HB2 ASN 18 2.722 6.991 2.221 153 HD21 ASN 18 1HD2 ASN 18 -0.657 7.612 1.273 154 HD22 ASN 18 2HD2 ASN 18 -0.539 6.854 -0.275 155 H GLU 19 HN GLU 19 2.527 7.046 5.267 156 HA GLU 19 HA GLU 19 4.298 4.962 5.129 157 HB2 GLU 19 HB1 GLU 19 4.927 5.439 7.338 158 HB3 GLU 19 HB2 GLU 19 4.279 6.975 6.715 159 HG2 GLU 19 HG1 GLU 19 2.040 6.108 7.769 160 HG3 GLU 19 HG2 GLU 19 3.132 5.089 8.739 161 H ILE 20 HN ILE 20 1.032 4.932 6.367 162 HA ILE 20 HA ILE 20 0.955 2.660 7.897 163 HB ILE 20 HB ILE 20 -1.000 4.098 7.512 164 HG12 ILE 20 1HG1 ILE 20 -2.688 2.198 7.147 165 HG13 ILE 20 2HG1 ILE 20 -1.267 1.144 6.954 166 HG21 ILE 20 1HG2 ILE 20 -2.359 3.828 5.481 167 HG22 ILE 20 2HG2 ILE 20 -1.109 2.758 4.803 168 HG23 ILE 20 3HG2 ILE 20 -0.739 4.469 5.120 169 HD11 ILE 20 3HD1 ILE 20 -0.513 1.747 9.209 170 HD12 ILE 20 1HD1 ILE 20 -2.147 1.043 9.233 171 HD13 ILE 20 2HD1 ILE 20 -1.934 2.801 9.402 172 H LEU 21 HN LEU 21 1.013 2.891 4.377 173 HA LEU 21 HA LEU 21 0.429 0.293 3.665 174 HB2 LEU 21 HB1 LEU 21 1.595 0.681 1.621 175 HB3 LEU 21 HB2 LEU 21 0.812 2.202 2.113 176 HG LEU 21 HG LEU 21 3.217 2.659 3.151 177 HD11 LEU 21 1HD1 LEU 21 4.981 1.804 1.683 178 HD12 LEU 21 2HD1 LEU 21 3.781 0.806 0.828 179 HD13 LEU 21 3HD1 LEU 21 4.146 0.488 2.541 180 HD21 LEU 21 3HD2 LEU 21 2.528 2.959 0.220 181 HD22 LEU 21 1HD2 LEU 21 3.776 3.875 1.098 182 HD23 LEU 21 2HD2 LEU 21 2.061 4.071 1.530 183 H ASN 22 HN ASN 22 3.483 1.629 4.822 184 HA ASN 22 HA ASN 22 5.224 -0.432 4.325 185 HB2 ASN 22 HB1 ASN 22 5.014 1.378 6.740 186 HB3 ASN 22 HB2 ASN 22 6.378 0.266 6.473 187 HD21 ASN 22 1HD2 ASN 22 5.287 3.358 6.022 188 HD22 ASN 22 2HD2 ASN 22 6.361 3.856 4.762 189 H HIS 23 HN HIS 23 3.670 -0.036 7.509 190 HA HIS 23 HA HIS 23 4.211 -2.611 8.422 191 HB2 HIS 23 HB1 HIS 23 1.681 -1.500 9.407 192 HB3 HIS 23 HB2 HIS 23 3.153 -1.959 10.296 193 HD1 HIS 23 HD1 HIS 23 1.508 0.958 8.600 194 HD2 HIS 23 HD2 HIS 23 4.960 0.133 10.759 195 HE1 HIS 23 HE1 HIS 23 2.504 3.199 9.158 196 H MET 24 HN MET 24 1.147 -1.358 7.089 197 HA MET 24 HA MET 24 -0.368 -3.633 7.131 198 HB2 MET 24 HB1 MET 24 -0.278 -1.213 5.433 199 HB3 MET 24 HB2 MET 24 -1.131 -2.609 4.730 200 HG2 MET 24 HG1 MET 24 -1.716 -1.531 7.491 201 HG3 MET 24 HG2 MET 24 -2.547 -0.960 6.024 202 HE1 MET 24 HE1 MET 24 -4.665 -3.947 4.888 203 HE2 MET 24 HE2 MET 24 -3.150 -3.295 4.220 204 HE3 MET 24 HE3 MET 24 -4.411 -2.187 4.810 205 H LYS 25 HN LYS 25 2.222 -2.821 4.913 206 HA LYS 25 HA LYS 25 1.850 -4.617 2.871 207 HB2 LYS 25 HB1 LYS 25 3.711 -2.899 3.168 208 HB3 LYS 25 HB2 LYS 25 4.549 -4.135 4.137 209 HG2 LYS 25 HG1 LYS 25 3.778 -5.414 1.752 210 HG3 LYS 25 HG2 LYS 25 4.416 -3.822 1.274 211 HD2 LYS 25 HD1 LYS 25 5.842 -5.742 3.137 212 HD3 LYS 25 HD2 LYS 25 6.140 -5.638 1.385 213 HE2 LYS 25 HE1 LYS 25 6.384 -3.276 3.266 214 HE3 LYS 25 HE2 LYS 25 7.746 -4.343 2.847 215 HZ1 LYS 25 HZ1 LYS 25 6.418 -3.492 0.497 216 HZ2 LYS 25 HZ2 LYS 25 8.025 -3.242 0.962 217 HZ3 LYS 25 HZ3 LYS 25 6.828 -2.143 1.432 218 H ARG 26 HN ARG 26 3.168 -5.228 6.088 219 HA ARG 26 HA ARG 26 4.164 -7.772 5.802 220 HB2 ARG 26 HB1 ARG 26 3.898 -8.057 8.135 221 HB3 ARG 26 HB2 ARG 26 4.149 -6.313 7.880 222 HG2 ARG 26 HG1 ARG 26 1.539 -6.222 7.849 223 HG3 ARG 26 HG2 ARG 26 1.663 -7.791 8.682 224 HD2 ARG 26 HD1 ARG 26 2.846 -5.143 9.570 225 HD3 ARG 26 HD2 ARG 26 1.506 -6.034 10.332 226 HE ARG 26 HE ARG 26 3.672 -7.751 10.325 227 HH11 ARG 26 1HH1 ARG 26 2.912 -4.618 11.639 228 HH12 ARG 26 2HH1 ARG 26 3.951 -4.799 13.014 229 HH21 ARG 26 1HH2 ARG 26 5.043 -8.001 12.131 230 HH22 ARG 26 2HH2 ARG 26 5.163 -6.723 13.293 231 H ALA 27 HN ALA 27 0.823 -6.745 5.919 232 HA ALA 27 HA ALA 27 -0.178 -9.461 6.096 233 HB1 ALA 27 HB1 ALA 27 -2.405 -8.421 5.989 234 HB2 ALA 27 HB2 ALA 27 -1.636 -6.839 5.716 235 HB3 ALA 27 HB3 ALA 27 -1.386 -7.696 7.255 236 H THR 28 HN THR 28 1.487 -8.760 3.814 237 HA THR 28 HA THR 28 0.023 -8.271 1.483 238 HB THR 28 HB THR 28 2.008 -9.892 0.564 239 HG1 THR 28 HG1 THR 28 3.828 -9.273 1.998 240 HG21 THR 28 3HG2 THR 28 1.607 -7.571 -0.109 241 HG22 THR 28 1HG2 THR 28 3.328 -7.841 0.254 242 HG23 THR 28 2HG2 THR 28 2.290 -7.004 1.433 243 H GLN 29 HN GLN 29 0.226 -11.085 3.456 244 HA GLN 29 HA GLN 29 -0.579 -12.960 1.439 245 HB2 GLN 29 HB1 GLN 29 -0.882 -14.522 3.329 246 HB3 GLN 29 HB2 GLN 29 0.712 -13.729 3.341 247 HG2 GLN 29 HG1 GLN 29 -1.300 -12.274 4.881 248 HG3 GLN 29 HG2 GLN 29 -1.038 -13.934 5.468 249 HE21 GLN 29 1HE2 GLN 29 1.569 -14.366 5.094 250 HE22 GLN 29 2HE2 GLN 29 2.526 -13.249 6.000 251 H ILE 30 HN ILE 30 -2.181 -10.580 3.192 252 HA ILE 30 HA ILE 30 -4.763 -11.647 2.347 253 HB ILE 30 HB ILE 30 -5.765 -10.956 4.563 254 HG12 ILE 30 1HG1 ILE 30 -3.005 -11.353 5.685 255 HG13 ILE 30 2HG1 ILE 30 -3.541 -9.739 5.161 256 HG21 ILE 30 1HG2 ILE 30 -5.201 -13.079 5.666 257 HG22 ILE 30 2HG2 ILE 30 -3.837 -13.285 4.541 258 HG23 ILE 30 3HG2 ILE 30 -5.506 -13.292 3.926 259 HD11 ILE 30 3HD1 ILE 30 -5.425 -9.856 6.727 260 HD12 ILE 30 1HD1 ILE 30 -3.867 -10.048 7.565 261 HD13 ILE 30 2HD1 ILE 30 -4.889 -11.470 7.251 262 HA PRO 31 HA PRO 31 -4.142 -7.087 1.586 263 HB2 PRO 31 HB1 PRO 31 -4.799 -7.191 -1.069 264 HB3 PRO 31 HB2 PRO 31 -3.143 -7.461 -0.474 265 HG2 PRO 31 HG1 PRO 31 -5.241 -9.466 -1.258 266 HG3 PRO 31 HG2 PRO 31 -3.500 -9.450 -1.627 267 HD2 PRO 31 HD1 PRO 31 -4.557 -10.986 0.357 268 HD3 PRO 31 HD2 PRO 31 -2.920 -10.295 0.458 269 H SER 32 HN SER 32 -5.757 -5.535 1.269 270 HA SER 32 HA SER 32 -8.501 -6.583 1.033 271 HB2 SER 32 HB1 SER 32 -7.741 -4.207 2.743 272 HB3 SER 32 HB2 SER 32 -9.277 -5.106 2.730 273 HG SER 32 HG SER 32 -8.370 -6.160 4.322 274 H TYR 33 HN TYR 33 -6.728 -5.457 -1.008 275 HA TYR 33 HA TYR 33 -7.359 -2.785 -1.591 276 HB2 TYR 33 HB1 TYR 33 -6.663 -3.333 -3.908 277 HB3 TYR 33 HB2 TYR 33 -5.502 -3.879 -2.674 278 HD1 TYR 33 HD1 TYR 33 -8.429 -5.150 -4.641 279 HD2 TYR 33 HD2 TYR 33 -4.700 -6.053 -2.799 280 HE1 TYR 33 HE1 TYR 33 -8.535 -7.430 -5.557 281 HE2 TYR 33 HE2 TYR 33 -4.797 -8.335 -3.711 282 HH TYR 33 HH TYR 33 -6.030 -9.829 -4.810 283 H LYS 34 HN LYS 34 -8.409 -2.527 -4.023 284 HA LYS 34 HA LYS 34 -11.198 -3.272 -3.600 285 HB2 LYS 34 HB1 LYS 34 -11.794 -1.485 -4.952 286 HB3 LYS 34 HB2 LYS 34 -10.304 -0.895 -4.175 287 HG2 LYS 34 HG1 LYS 34 -10.406 -2.170 -6.918 288 HG3 LYS 34 HG2 LYS 34 -10.464 -0.416 -6.622 289 HD2 LYS 34 HD1 LYS 34 -8.282 -0.981 -5.188 290 HD3 LYS 34 HD2 LYS 34 -8.197 -2.338 -6.337 291 HE2 LYS 34 HE1 LYS 34 -7.504 -1.003 -7.991 292 HE3 LYS 34 HE2 LYS 34 -8.813 0.164 -7.685 293 HZ1 LYS 34 HZ1 LYS 34 -6.799 1.301 -7.333 294 HZ2 LYS 34 HZ2 LYS 34 -6.138 0.050 -6.404 295 HZ3 LYS 34 HZ3 LYS 34 -7.406 0.984 -5.786 296 H LYS 35 HN LYS 35 -12.322 -4.635 -4.872 297 HA LYS 35 HA LYS 35 -10.859 -5.911 -7.084 298 HB2 LYS 35 HB1 LYS 35 -13.006 -6.928 -5.223 299 HB3 LYS 35 HB2 LYS 35 -12.595 -7.765 -6.740 300 HG2 LYS 35 HG1 LYS 35 -10.500 -8.393 -5.982 301 HG3 LYS 35 HG2 LYS 35 -10.439 -7.100 -4.760 302 HD2 LYS 35 HD1 LYS 35 -10.787 -9.055 -3.510 303 HD3 LYS 35 HD2 LYS 35 -12.407 -8.328 -3.641 304 HE2 LYS 35 HE1 LYS 35 -12.806 -9.826 -5.632 305 HE3 LYS 35 HE2 LYS 35 -11.279 -10.649 -5.229 306 HZ1 LYS 35 HZ1 LYS 35 -12.172 -11.575 -3.360 307 HZ2 LYS 35 HZ2 LYS 35 -13.563 -11.510 -4.320 308 HZ3 LYS 35 HZ3 LYS 35 -13.306 -10.342 -3.124 309 H LEU 36 HN LEU 36 -12.486 -3.415 -7.158 310 HA LEU 36 HA LEU 36 -14.769 -4.202 -8.794 311 HB2 LEU 36 HB1 LEU 36 -15.265 -1.756 -8.817 312 HB3 LEU 36 HB2 LEU 36 -15.240 -2.497 -7.198 313 HG LEU 36 HG LEU 36 -12.648 -1.518 -7.601 314 HD11 LEU 36 1HD1 LEU 36 -13.006 0.844 -8.132 315 HD12 LEU 36 2HD1 LEU 36 -14.716 0.501 -8.487 316 HD13 LEU 36 3HD1 LEU 36 -13.437 -0.208 -9.501 317 HD21 LEU 36 3HD2 LEU 36 -14.979 -0.331 -6.079 318 HD22 LEU 36 1HD2 LEU 36 -13.259 0.044 -5.813 319 HD23 LEU 36 2HD2 LEU 36 -13.873 -1.595 -5.489 320 H ILE 37 HN ILE 37 -11.534 -3.152 -9.135 321 HA ILE 37 HA ILE 37 -11.986 -2.642 -12.003 322 HB ILE 37 HB ILE 37 -9.986 -1.227 -11.996 323 HG12 ILE 37 1HG1 ILE 37 -9.411 -0.476 -9.483 324 HG13 ILE 37 2HG1 ILE 37 -9.880 -2.165 -9.174 325 HG21 ILE 37 1HG2 ILE 37 -10.929 0.687 -10.774 326 HG22 ILE 37 2HG2 ILE 37 -12.054 -0.415 -9.943 327 HG23 ILE 37 3HG2 ILE 37 -12.169 -0.187 -11.705 328 HD11 ILE 37 3HD1 ILE 37 -8.200 -2.928 -10.790 329 HD12 ILE 37 1HD1 ILE 37 -7.464 -1.956 -9.494 330 HD13 ILE 37 2HD1 ILE 37 -7.731 -1.239 -11.100 331 H MET 38 HN MET 38 -10.235 -3.272 -13.436 332 HA MET 38 HA MET 38 -9.112 -5.823 -12.641 333 HB2 MET 38 HB1 MET 38 -9.338 -4.331 -15.244 334 HB3 MET 38 HB2 MET 38 -8.270 -5.747 -15.092 335 HG2 MET 38 HG1 MET 38 -10.332 -6.981 -14.207 336 HG3 MET 38 HG2 MET 38 -11.270 -5.606 -14.838 337 HE1 MET 38 HE1 MET 38 -12.216 -7.269 -18.016 338 HE2 MET 38 HE2 MET 38 -12.398 -5.807 -17.017 339 HE3 MET 38 HE3 MET 38 -12.648 -7.415 -16.296 340 H TYR 39 HN TYR 39 -7.854 -2.799 -14.052 341 HA TYR 39 HA TYR 39 -5.142 -3.451 -13.859 342 HB2 TYR 39 HB1 TYR 39 -6.636 -0.841 -13.975 343 HB3 TYR 39 HB2 TYR 39 -4.865 -0.877 -13.796 344 HD1 TYR 39 HD1 TYR 39 -3.602 -2.362 -15.564 345 HD2 TYR 39 HD2 TYR 39 -7.533 -0.832 -16.118 346 HE1 TYR 39 HE1 TYR 39 -3.355 -2.626 -17.998 347 HE2 TYR 39 HE2 TYR 39 -7.299 -1.092 -18.552 348 HH TYR 39 HH TYR 39 -4.825 -1.210 -20.159 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -7.372 8.885 13.225 2 H2 GLY 1 HT2 GLY 1 -6.130 9.898 12.530 3 H3 GLY 1 HT3 GLY 1 -7.625 9.629 11.665 4 HA2 GLY 1 HA1 GLY 1 -8.832 10.756 13.393 5 HA3 GLY 1 HA2 GLY 1 -7.327 11.027 14.261 6 H ILE 2 HN ILE 2 -9.407 12.805 12.892 7 HA ILE 2 HA ILE 2 -7.705 14.199 10.966 8 HB ILE 2 HB ILE 2 -10.561 14.797 11.748 9 HG12 ILE 2 1HG1 ILE 2 -10.413 12.597 10.731 10 HG13 ILE 2 2HG1 ILE 2 -11.153 13.747 9.590 11 HG21 ILE 2 1HG2 ILE 2 -10.600 16.132 9.683 12 HG22 ILE 2 2HG2 ILE 2 -8.873 15.777 9.437 13 HG23 ILE 2 3HG2 ILE 2 -9.393 16.734 10.845 14 HD11 ILE 2 3HD1 ILE 2 -9.011 13.954 8.411 15 HD12 ILE 2 1HD1 ILE 2 -9.570 12.265 8.459 16 HD13 ILE 2 2HD1 ILE 2 -8.272 12.805 9.551 17 H HIS 3 HN HIS 3 -6.428 15.780 11.635 18 HA HIS 3 HA HIS 3 -7.104 17.202 14.117 19 HB2 HIS 3 HB1 HIS 3 -4.522 16.576 12.725 20 HB3 HIS 3 HB2 HIS 3 -4.620 17.985 13.810 21 HD1 HIS 3 HD1 HIS 3 -3.153 15.004 14.126 22 HD2 HIS 3 HD2 HIS 3 -6.361 16.598 16.230 23 HE1 HIS 3 HE1 HIS 3 -3.212 13.756 16.309 24 H LYS 4 HN LYS 4 -7.987 19.136 13.887 25 HA LYS 4 HA LYS 4 -6.944 20.976 11.885 26 HB2 LYS 4 HB1 LYS 4 -9.194 21.583 11.084 27 HB3 LYS 4 HB2 LYS 4 -8.778 19.893 10.710 28 HG2 LYS 4 HG1 LYS 4 -10.925 19.632 11.458 29 HG3 LYS 4 HG2 LYS 4 -10.033 19.428 12.985 30 HD2 LYS 4 HD1 LYS 4 -10.715 21.453 13.818 31 HD3 LYS 4 HD2 LYS 4 -10.864 22.190 12.204 32 HE2 LYS 4 HE1 LYS 4 -12.841 20.567 11.866 33 HE3 LYS 4 HE2 LYS 4 -12.783 20.348 13.632 34 HZ1 LYS 4 HZ1 LYS 4 -14.172 22.098 13.589 35 HZ2 LYS 4 HZ2 LYS 4 -13.663 22.635 12.068 36 HZ3 LYS 4 HZ3 LYS 4 -12.753 23.009 13.446 37 H GLN 5 HN GLN 5 -7.714 23.205 12.228 38 HA GLN 5 HA GLN 5 -8.067 23.706 15.091 39 HB2 GLN 5 HB1 GLN 5 -6.874 25.211 12.814 40 HB3 GLN 5 HB2 GLN 5 -7.603 26.156 14.135 41 HG2 GLN 5 HG1 GLN 5 -6.161 24.911 15.740 42 HG3 GLN 5 HG2 GLN 5 -5.365 24.130 14.353 43 HE21 GLN 5 1HE2 GLN 5 -3.371 24.984 14.581 44 HE22 GLN 5 2HE2 GLN 5 -3.008 26.668 14.449 45 H LYS 6 HN LYS 6 -9.233 25.119 12.027 46 HA LYS 6 HA LYS 6 -11.817 25.609 13.358 47 HB2 LYS 6 HB1 LYS 6 -10.263 27.321 11.423 48 HB3 LYS 6 HB2 LYS 6 -12.017 27.523 11.649 49 HG2 LYS 6 HG1 LYS 6 -11.742 28.141 13.927 50 HG3 LYS 6 HG2 LYS 6 -10.032 27.645 13.925 51 HD2 LYS 6 HD1 LYS 6 -9.830 29.429 12.003 52 HD3 LYS 6 HD2 LYS 6 -11.323 30.076 12.725 53 HE2 LYS 6 HE1 LYS 6 -8.928 29.443 14.440 54 HE3 LYS 6 HE2 LYS 6 -9.026 30.977 13.543 55 HZ1 LYS 6 HZ1 LYS 6 -9.962 30.732 15.977 56 HZ2 LYS 6 HZ2 LYS 6 -11.339 30.186 15.160 57 HZ3 LYS 6 HZ3 LYS 6 -10.719 31.727 14.837 58 H GLU 7 HN GLU 7 -10.167 24.830 10.336 59 HA GLU 7 HA GLU 7 -12.625 23.506 9.425 60 HB2 GLU 7 HB1 GLU 7 -10.990 25.560 7.985 61 HB3 GLU 7 HB2 GLU 7 -11.763 24.258 7.048 62 HG2 GLU 7 HG1 GLU 7 -13.931 24.932 7.721 63 HG3 GLU 7 HG2 GLU 7 -13.283 26.019 8.973 64 H LYS 8 HN LYS 8 -9.363 23.996 8.084 65 HA LYS 8 HA LYS 8 -8.851 21.124 8.345 66 HB2 LYS 8 HB1 LYS 8 -9.026 22.695 5.810 67 HB3 LYS 8 HB2 LYS 8 -7.777 21.432 5.933 68 HG2 LYS 8 HG1 LYS 8 -9.473 20.198 5.044 69 HG3 LYS 8 HG2 LYS 8 -9.840 19.989 6.774 70 HD2 LYS 8 HD1 LYS 8 -11.620 21.500 6.709 71 HD3 LYS 8 HD2 LYS 8 -11.038 22.270 5.213 72 HE2 LYS 8 HE1 LYS 8 -11.634 20.311 3.918 73 HE3 LYS 8 HE2 LYS 8 -12.084 19.428 5.396 74 HZ1 LYS 8 HZ1 LYS 8 -14.114 20.157 4.705 75 HZ2 LYS 8 HZ2 LYS 8 -13.518 21.570 3.991 76 HZ3 LYS 8 HZ3 LYS 8 -13.682 21.476 5.673 77 H SER 9 HN SER 9 -6.599 20.551 8.165 78 HA SER 9 HA SER 9 -4.564 22.526 7.933 79 HB2 SER 9 HB1 SER 9 -3.874 22.838 10.142 80 HB3 SER 9 HB2 SER 9 -5.648 22.889 10.276 81 HG SER 9 HG SER 9 -3.860 21.074 11.297 82 H ARG 10 HN ARG 10 -2.388 21.603 8.541 83 HA ARG 10 HA ARG 10 -0.808 19.991 8.263 84 HB2 ARG 10 HB1 ARG 10 -2.175 19.129 10.303 85 HB3 ARG 10 HB2 ARG 10 -2.800 17.923 9.153 86 HG2 ARG 10 HG1 ARG 10 -1.012 16.836 10.174 87 HG3 ARG 10 HG2 ARG 10 -0.321 17.429 8.644 88 HD2 ARG 10 HD1 ARG 10 1.286 17.944 10.291 89 HD3 ARG 10 HD2 ARG 10 0.442 19.478 9.964 90 HE ARG 10 HE ARG 10 -0.844 18.215 12.103 91 HH11 ARG 10 1HH1 ARG 10 2.233 19.665 11.363 92 HH12 ARG 10 2HH1 ARG 10 2.540 20.159 12.995 93 HH21 ARG 10 1HH2 ARG 10 -0.453 18.862 14.254 94 HH22 ARG 10 2HH2 ARG 10 1.012 19.701 14.639 95 H LEU 11 HN LEU 11 -2.125 20.658 5.969 96 HA LEU 11 HA LEU 11 -3.264 18.509 4.550 97 HB2 LEU 11 HB1 LEU 11 -1.843 21.004 3.613 98 HB3 LEU 11 HB2 LEU 11 -2.653 19.859 2.516 99 HG LEU 11 HG LEU 11 -4.028 21.419 4.712 100 HD11 LEU 11 1HD1 LEU 11 -4.982 22.758 2.897 101 HD12 LEU 11 2HD1 LEU 11 -3.972 21.880 1.724 102 HD13 LEU 11 3HD1 LEU 11 -3.210 22.908 2.961 103 HD21 LEU 11 3HD2 LEU 11 -5.120 19.711 2.465 104 HD22 LEU 11 1HD2 LEU 11 -6.087 20.672 3.610 105 HD23 LEU 11 2HD2 LEU 11 -5.121 19.297 4.196 106 H GLN 12 HN GLN 12 -0.129 19.986 3.748 107 HA GLN 12 HA GLN 12 0.901 17.928 2.264 108 HB2 GLN 12 HB1 GLN 12 2.214 19.995 4.008 109 HB3 GLN 12 HB2 GLN 12 3.189 18.781 3.146 110 HG2 GLN 12 HG1 GLN 12 3.205 20.579 1.688 111 HG3 GLN 12 HG2 GLN 12 1.886 19.568 1.049 112 HE21 GLN 12 1HE2 GLN 12 -0.152 20.351 1.024 113 HE22 GLN 12 2HE2 GLN 12 -0.592 21.942 1.533 114 H GLY 13 HN GLY 13 1.502 18.453 5.745 115 HA2 GLY 13 HA1 GLY 13 3.030 16.245 6.301 116 HA3 GLY 13 HA2 GLY 13 1.879 16.937 7.434 117 H GLY 14 HN GLY 14 -0.433 16.353 5.740 118 HA2 GLY 14 HA1 GLY 14 -1.291 13.973 6.798 119 HA3 GLY 14 HA2 GLY 14 -1.913 14.646 5.298 120 H VAL 15 HN VAL 15 0.614 14.448 3.885 121 HA VAL 15 HA VAL 15 0.345 12.040 2.602 122 HB VAL 15 HB VAL 15 2.608 12.324 1.741 123 HG11 VAL 15 1HG1 VAL 15 2.379 14.589 0.812 124 HG12 VAL 15 2HG1 VAL 15 1.133 14.950 2.031 125 HG13 VAL 15 3HG1 VAL 15 0.834 13.705 0.796 126 HG21 VAL 15 3HG2 VAL 15 2.883 14.472 3.856 127 HG22 VAL 15 1HG2 VAL 15 4.060 14.131 2.565 128 HG23 VAL 15 2HG2 VAL 15 3.739 12.912 3.821 129 H LEU 16 HN LEU 16 2.074 12.724 5.564 130 HA LEU 16 HA LEU 16 3.740 10.566 5.829 131 HB2 LEU 16 HB1 LEU 16 3.792 12.205 7.515 132 HB3 LEU 16 HB2 LEU 16 2.052 12.026 7.846 133 HG LEU 16 HG LEU 16 3.677 9.619 8.356 134 HD11 LEU 16 1HD1 LEU 16 4.565 10.460 10.479 135 HD12 LEU 16 2HD1 LEU 16 3.990 12.093 10.067 136 HD13 LEU 16 3HD1 LEU 16 5.261 11.323 9.087 137 HD21 LEU 16 3HD2 LEU 16 1.610 11.153 9.949 138 HD22 LEU 16 1HD2 LEU 16 2.273 9.554 10.365 139 HD23 LEU 16 2HD2 LEU 16 1.297 9.756 8.891 140 H VAL 17 HN VAL 17 0.252 10.650 6.136 141 HA VAL 17 HA VAL 17 -0.316 8.300 7.426 142 HB VAL 17 HB VAL 17 -2.395 8.185 6.154 143 HG11 VAL 17 1HG1 VAL 17 -3.254 10.438 6.633 144 HG12 VAL 17 2HG1 VAL 17 -1.584 11.025 6.815 145 HG13 VAL 17 3HG1 VAL 17 -2.233 9.822 7.954 146 HG21 VAL 17 3HG2 VAL 17 -1.145 10.300 4.386 147 HG22 VAL 17 1HG2 VAL 17 -2.833 9.742 4.303 148 HG23 VAL 17 2HG2 VAL 17 -1.505 8.619 3.925 149 H ASN 18 HN ASN 18 0.861 8.736 4.155 150 HA ASN 18 HA ASN 18 0.323 6.318 2.982 151 HB2 ASN 18 HB1 ASN 18 2.533 8.298 2.749 152 HB3 ASN 18 HB2 ASN 18 2.806 6.694 2.027 153 HD21 ASN 18 1HD2 ASN 18 0.617 9.461 2.065 154 HD22 ASN 18 2HD2 ASN 18 0.015 9.241 0.460 155 H GLU 19 HN GLU 19 2.655 7.033 5.488 156 HA GLU 19 HA GLU 19 4.342 4.873 5.399 157 HB2 GLU 19 HB1 GLU 19 4.752 5.187 7.730 158 HB3 GLU 19 HB2 GLU 19 4.424 6.789 7.024 159 HG2 GLU 19 HG1 GLU 19 1.990 6.375 7.796 160 HG3 GLU 19 HG2 GLU 19 2.701 5.114 8.833 161 H ILE 20 HN ILE 20 0.995 4.960 6.386 162 HA ILE 20 HA ILE 20 0.694 2.668 7.849 163 HB ILE 20 HB ILE 20 -1.161 4.191 7.330 164 HG12 ILE 20 1HG1 ILE 20 -2.878 2.353 6.748 165 HG13 ILE 20 2HG1 ILE 20 -1.476 1.258 6.721 166 HG21 ILE 20 1HG2 ILE 20 -2.349 4.018 5.185 167 HG22 ILE 20 2HG2 ILE 20 -1.090 2.908 4.593 168 HG23 ILE 20 3HG2 ILE 20 -0.679 4.596 4.978 169 HD11 ILE 20 3HD1 ILE 20 -0.971 1.846 9.047 170 HD12 ILE 20 1HD1 ILE 20 -2.616 1.189 8.882 171 HD13 ILE 20 2HD1 ILE 20 -2.373 2.941 9.075 172 H LEU 21 HN LEU 21 0.994 2.949 4.339 173 HA LEU 21 HA LEU 21 0.400 0.371 3.563 174 HB2 LEU 21 HB1 LEU 21 2.609 2.111 2.453 175 HB3 LEU 21 HB2 LEU 21 1.822 0.747 1.623 176 HG LEU 21 HG LEU 21 0.723 3.483 2.213 177 HD11 LEU 21 1HD1 LEU 21 0.212 3.434 -0.182 178 HD12 LEU 21 2HD1 LEU 21 0.898 1.796 -0.291 179 HD13 LEU 21 3HD1 LEU 21 1.945 3.173 0.125 180 HD21 LEU 21 3HD2 LEU 21 -0.852 1.025 1.416 181 HD22 LEU 21 1HD2 LEU 21 -1.473 2.692 1.460 182 HD23 LEU 21 2HD2 LEU 21 -0.969 1.891 2.967 183 H ASN 22 HN ASN 22 3.571 1.646 4.557 184 HA ASN 22 HA ASN 22 5.231 -0.439 4.237 185 HB2 ASN 22 HB1 ASN 22 4.953 1.351 6.659 186 HB3 ASN 22 HB2 ASN 22 6.297 0.201 6.459 187 HD21 ASN 22 1HD2 ASN 22 5.362 3.327 6.006 188 HD22 ASN 22 2HD2 ASN 22 6.497 3.797 4.791 189 H HIS 23 HN HIS 23 3.509 -0.071 7.339 190 HA HIS 23 HA HIS 23 3.993 -2.664 8.248 191 HB2 HIS 23 HB1 HIS 23 1.425 -1.540 9.116 192 HB3 HIS 23 HB2 HIS 23 2.843 -2.030 10.074 193 HD1 HIS 23 HD1 HIS 23 1.381 0.931 8.265 194 HD2 HIS 23 HD2 HIS 23 4.592 0.030 10.743 195 HE1 HIS 23 HE1 HIS 23 2.359 3.150 8.930 196 H MET 24 HN MET 24 1.105 -1.353 6.630 197 HA MET 24 HA MET 24 -0.522 -3.548 6.610 198 HB2 MET 24 HB1 MET 24 -0.127 -1.226 4.825 199 HB3 MET 24 HB2 MET 24 -0.971 -2.615 4.098 200 HG2 MET 24 HG1 MET 24 -1.791 -1.367 6.724 201 HG3 MET 24 HG2 MET 24 -2.432 -0.841 5.149 202 HE1 MET 24 HE1 MET 24 -5.530 -2.776 6.411 203 HE2 MET 24 HE2 MET 24 -4.922 -1.310 5.606 204 HE3 MET 24 HE3 MET 24 -4.478 -1.647 7.296 205 H LYS 25 HN LYS 25 2.281 -2.939 4.571 206 HA LYS 25 HA LYS 25 2.023 -4.854 2.627 207 HB2 LYS 25 HB1 LYS 25 4.569 -4.192 4.127 208 HB3 LYS 25 HB2 LYS 25 4.460 -4.924 2.508 209 HG2 LYS 25 HG1 LYS 25 2.950 -2.520 2.459 210 HG3 LYS 25 HG2 LYS 25 4.508 -2.160 3.242 211 HD2 LYS 25 HD1 LYS 25 4.478 -3.802 0.732 212 HD3 LYS 25 HD2 LYS 25 4.248 -2.040 0.619 213 HE2 LYS 25 HE1 LYS 25 6.349 -1.761 1.966 214 HE3 LYS 25 HE2 LYS 25 6.599 -3.519 1.836 215 HZ1 LYS 25 HZ1 LYS 25 6.636 -3.276 -0.580 216 HZ2 LYS 25 HZ2 LYS 25 7.844 -2.343 0.147 217 HZ3 LYS 25 HZ3 LYS 25 6.440 -1.602 -0.437 218 H ARG 26 HN ARG 26 3.260 -5.305 5.922 219 HA ARG 26 HA ARG 26 4.084 -7.916 5.827 220 HB2 ARG 26 HB1 ARG 26 2.561 -6.540 8.055 221 HB3 ARG 26 HB2 ARG 26 3.455 -8.070 8.226 222 HG2 ARG 26 HG1 ARG 26 5.511 -6.788 7.455 223 HG3 ARG 26 HG2 ARG 26 4.550 -5.308 7.686 224 HD2 ARG 26 HD1 ARG 26 5.445 -5.408 9.769 225 HD3 ARG 26 HD2 ARG 26 4.080 -6.516 10.048 226 HE ARG 26 HE ARG 26 6.052 -8.161 9.187 227 HH11 ARG 26 1HH1 ARG 26 5.880 -5.733 11.676 228 HH12 ARG 26 2HH1 ARG 26 7.034 -6.518 12.703 229 HH21 ARG 26 1HH2 ARG 26 7.572 -9.204 10.530 230 HH22 ARG 26 2HH2 ARG 26 7.996 -8.493 12.050 231 H ALA 27 HN ALA 27 0.786 -6.697 6.044 232 HA ALA 27 HA ALA 27 -0.600 -9.007 6.649 233 HB1 ALA 27 HB1 ALA 27 -2.517 -8.005 5.477 234 HB2 ALA 27 HB2 ALA 27 -1.427 -6.799 4.753 235 HB3 ALA 27 HB3 ALA 27 -1.677 -6.829 6.515 236 H THR 28 HN THR 28 0.378 -7.838 3.434 237 HA THR 28 HA THR 28 -0.735 -9.911 1.929 238 HB THR 28 HB THR 28 1.862 -8.620 1.145 239 HG1 THR 28 HG1 THR 28 0.883 -6.765 1.470 240 HG21 THR 28 3HG2 THR 28 0.913 -10.304 -0.358 241 HG22 THR 28 1HG2 THR 28 0.850 -8.686 -1.095 242 HG23 THR 28 2HG2 THR 28 -0.622 -9.405 -0.401 243 H GLN 29 HN GLN 29 2.041 -9.865 3.965 244 HA GLN 29 HA GLN 29 3.333 -12.136 2.763 245 HB2 GLN 29 HB1 GLN 29 3.816 -11.022 5.530 246 HB3 GLN 29 HB2 GLN 29 4.931 -11.981 4.527 247 HG2 GLN 29 HG1 GLN 29 4.870 -10.052 2.873 248 HG3 GLN 29 HG2 GLN 29 4.065 -9.114 4.154 249 HE21 GLN 29 1HE2 GLN 29 6.875 -11.272 3.797 250 HE22 GLN 29 2HE2 GLN 29 7.960 -10.287 4.712 251 H ILE 30 HN ILE 30 0.679 -11.721 4.784 252 HA ILE 30 HA ILE 30 -0.661 -13.171 5.913 253 HB ILE 30 HB ILE 30 1.034 -15.387 4.767 254 HG12 ILE 30 1HG1 ILE 30 -1.385 -14.011 3.569 255 HG13 ILE 30 2HG1 ILE 30 0.290 -13.868 2.983 256 HG21 ILE 30 1HG2 ILE 30 -1.027 -16.712 4.975 257 HG22 ILE 30 2HG2 ILE 30 -1.840 -15.307 5.706 258 HG23 ILE 30 3HG2 ILE 30 -0.477 -16.082 6.546 259 HD11 ILE 30 3HD1 ILE 30 0.308 -16.262 2.449 260 HD12 ILE 30 1HD1 ILE 30 -1.007 -15.414 1.601 261 HD13 ILE 30 2HD1 ILE 30 -1.367 -16.406 3.034 262 HA PRO 31 HA PRO 31 2.654 -13.527 9.162 263 HB2 PRO 31 HB1 PRO 31 1.389 -11.909 10.971 264 HB3 PRO 31 HB2 PRO 31 2.482 -11.281 9.714 265 HG2 PRO 31 HG1 PRO 31 -0.522 -11.401 9.747 266 HG3 PRO 31 HG2 PRO 31 0.550 -10.079 9.225 267 HD2 PRO 31 HD1 PRO 31 -0.648 -11.771 7.460 268 HD3 PRO 31 HD2 PRO 31 0.952 -11.053 7.154 269 H SER 32 HN SER 32 2.000 -13.782 11.699 270 HA SER 32 HA SER 32 -0.064 -15.883 11.731 271 HB2 SER 32 HB1 SER 32 2.409 -16.474 12.184 272 HB3 SER 32 HB2 SER 32 2.174 -15.647 13.743 273 HG SER 32 HG SER 32 1.388 -17.497 14.368 274 H TYR 33 HN TYR 33 1.198 -13.054 13.363 275 HA TYR 33 HA TYR 33 -0.491 -13.206 15.643 276 HB2 TYR 33 HB1 TYR 33 0.287 -11.038 16.199 277 HB3 TYR 33 HB2 TYR 33 1.656 -11.881 15.435 278 HD1 TYR 33 HD1 TYR 33 2.196 -11.360 13.022 279 HD2 TYR 33 HD2 TYR 33 -0.549 -9.024 15.284 280 HE1 TYR 33 HE1 TYR 33 2.424 -9.528 11.397 281 HE2 TYR 33 HE2 TYR 33 -0.329 -7.186 13.665 282 HH TYR 33 HH TYR 33 2.013 -7.316 11.045 283 H LYS 34 HN LYS 34 -1.728 -10.827 15.931 284 HA LYS 34 HA LYS 34 -3.690 -10.769 13.732 285 HB2 LYS 34 HB1 LYS 34 -5.408 -10.211 15.436 286 HB3 LYS 34 HB2 LYS 34 -4.693 -11.827 15.656 287 HG2 LYS 34 HG1 LYS 34 -4.586 -11.151 17.810 288 HG3 LYS 34 HG2 LYS 34 -3.067 -10.407 17.255 289 HD2 LYS 34 HD1 LYS 34 -3.855 -8.325 17.551 290 HD3 LYS 34 HD2 LYS 34 -5.416 -8.715 16.790 291 HE2 LYS 34 HE1 LYS 34 -4.608 -9.367 19.642 292 HE3 LYS 34 HE2 LYS 34 -5.699 -8.054 19.138 293 HZ1 LYS 34 HZ1 LYS 34 -6.605 -10.472 18.025 294 HZ2 LYS 34 HZ2 LYS 34 -7.373 -9.480 19.159 295 HZ3 LYS 34 HZ3 LYS 34 -6.344 -10.718 19.679 296 H LYS 35 HN LYS 35 -4.063 -8.849 12.821 297 HA LYS 35 HA LYS 35 -2.933 -6.467 14.127 298 HB2 LYS 35 HB1 LYS 35 -3.062 -5.502 11.756 299 HB3 LYS 35 HB2 LYS 35 -1.824 -6.739 12.078 300 HG2 LYS 35 HG1 LYS 35 -3.115 -8.424 10.980 301 HG3 LYS 35 HG2 LYS 35 -4.522 -7.342 10.850 302 HD2 LYS 35 HD1 LYS 35 -1.904 -6.533 9.619 303 HD3 LYS 35 HD2 LYS 35 -2.940 -7.718 8.788 304 HE2 LYS 35 HE1 LYS 35 -3.706 -5.742 7.875 305 HE3 LYS 35 HE2 LYS 35 -4.826 -5.945 9.244 306 HZ1 LYS 35 HZ1 LYS 35 -4.125 -4.036 10.091 307 HZ2 LYS 35 HZ2 LYS 35 -3.166 -3.783 8.721 308 HZ3 LYS 35 HZ3 LYS 35 -2.512 -4.545 10.083 309 H LEU 36 HN LEU 36 -5.614 -7.680 14.557 310 HA LEU 36 HA LEU 36 -7.540 -5.992 13.293 311 HB2 LEU 36 HB1 LEU 36 -9.156 -7.101 14.550 312 HB3 LEU 36 HB2 LEU 36 -7.887 -8.323 14.295 313 HG LEU 36 HG LEU 36 -7.091 -7.396 16.672 314 HD11 LEU 36 1HD1 LEU 36 -9.027 -6.963 18.108 315 HD12 LEU 36 2HD1 LEU 36 -10.087 -6.989 16.679 316 HD13 LEU 36 3HD1 LEU 36 -8.852 -5.718 16.848 317 HD21 LEU 36 3HD2 LEU 36 -9.320 -9.397 16.240 318 HD22 LEU 36 1HD2 LEU 36 -8.290 -9.280 17.686 319 HD23 LEU 36 2HD2 LEU 36 -7.575 -9.725 16.118 320 H ILE 37 HN ILE 37 -5.597 -5.789 16.162 321 HA ILE 37 HA ILE 37 -7.053 -3.957 17.674 322 HB ILE 37 HB ILE 37 -4.049 -4.144 17.420 323 HG12 ILE 37 1HG1 ILE 37 -5.072 -6.279 18.036 324 HG13 ILE 37 2HG1 ILE 37 -4.173 -5.578 19.404 325 HG21 ILE 37 1HG2 ILE 37 -4.006 -3.122 19.656 326 HG22 ILE 37 2HG2 ILE 37 -5.775 -2.940 19.592 327 HG23 ILE 37 3HG2 ILE 37 -4.747 -2.048 18.446 328 HD11 ILE 37 3HD1 ILE 37 -6.278 -4.786 20.381 329 HD12 ILE 37 1HD1 ILE 37 -6.294 -6.549 20.136 330 HD13 ILE 37 2HD1 ILE 37 -7.177 -5.487 19.014 331 H MET 38 HN MET 38 -7.330 -1.790 17.628 332 HA MET 38 HA MET 38 -6.417 -0.397 15.228 333 HB2 MET 38 HB1 MET 38 -8.428 0.432 17.336 334 HB3 MET 38 HB2 MET 38 -8.065 1.325 15.839 335 HG2 MET 38 HG1 MET 38 -8.697 -0.989 14.723 336 HG3 MET 38 HG2 MET 38 -9.597 -1.205 16.244 337 HE1 MET 38 HE1 MET 38 -12.813 -0.059 14.751 338 HE2 MET 38 HE2 MET 38 -12.025 -0.807 16.160 339 HE3 MET 38 HE3 MET 38 -11.738 -1.460 14.529 340 H TYR 39 HN TYR 39 -6.557 0.143 18.746 341 HA TYR 39 HA TYR 39 -5.056 2.507 18.781 342 HB2 TYR 39 HB1 TYR 39 -5.538 0.365 20.849 343 HB3 TYR 39 HB2 TYR 39 -4.552 1.806 21.194 344 HD1 TYR 39 HD1 TYR 39 -7.954 0.706 20.151 345 HD2 TYR 39 HD2 TYR 39 -5.580 3.855 21.749 346 HE1 TYR 39 HE1 TYR 39 -9.996 1.972 20.675 347 HE2 TYR 39 HE2 TYR 39 -7.616 5.129 22.279 348 HH TYR 39 HH TYR 39 -10.429 4.715 20.996 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -3.011 20.278 26.066 2 H2 GLY 1 HT2 GLY 1 -3.420 21.499 24.885 3 H3 GLY 1 HT3 GLY 1 -1.802 20.843 24.939 4 HA2 GLY 1 HA1 GLY 1 -2.648 18.694 24.329 5 HA3 GLY 1 HA2 GLY 1 -4.275 19.355 24.274 6 H ILE 2 HN ILE 2 -1.369 18.865 22.571 7 HA ILE 2 HA ILE 2 -1.928 20.823 20.511 8 HB ILE 2 HB ILE 2 0.148 18.629 20.536 9 HG12 ILE 2 1HG1 ILE 2 1.596 20.830 20.907 10 HG13 ILE 2 2HG1 ILE 2 0.080 21.398 21.648 11 HG21 ILE 2 1HG2 ILE 2 1.252 19.968 18.794 12 HG22 ILE 2 2HG2 ILE 2 -0.119 21.102 18.816 13 HG23 ILE 2 3HG2 ILE 2 -0.364 19.420 18.290 14 HD11 ILE 2 3HD1 ILE 2 0.112 19.484 23.182 15 HD12 ILE 2 1HD1 ILE 2 1.593 20.460 23.325 16 HD13 ILE 2 2HD1 ILE 2 1.628 18.916 22.442 17 H HIS 3 HN HIS 3 -1.855 17.276 20.768 18 HA HIS 3 HA HIS 3 -2.784 16.817 18.126 19 HB2 HIS 3 HB1 HIS 3 -1.538 15.187 19.629 20 HB3 HIS 3 HB2 HIS 3 -3.089 14.929 20.463 21 HD1 HIS 3 HD1 HIS 3 -4.011 12.766 19.691 22 HD2 HIS 3 HD2 HIS 3 -2.260 14.876 16.569 23 HE1 HIS 3 HE1 HIS 3 -4.407 11.375 17.634 24 H LYS 4 HN LYS 4 -4.805 16.518 17.326 25 HA LYS 4 HA LYS 4 -7.073 16.614 19.184 26 HB2 LYS 4 HB1 LYS 4 -6.428 18.898 18.111 27 HB3 LYS 4 HB2 LYS 4 -7.144 18.207 16.635 28 HG2 LYS 4 HG1 LYS 4 -9.270 17.907 17.772 29 HG3 LYS 4 HG2 LYS 4 -8.565 18.501 19.295 30 HD2 LYS 4 HD1 LYS 4 -8.229 20.692 18.362 31 HD3 LYS 4 HD2 LYS 4 -8.693 20.126 16.739 32 HE2 LYS 4 HE1 LYS 4 -10.520 20.156 19.163 33 HE3 LYS 4 HE2 LYS 4 -10.497 21.395 17.885 34 HZ1 LYS 4 HZ1 LYS 4 -10.963 19.519 16.296 35 HZ2 LYS 4 HZ2 LYS 4 -12.224 19.908 17.354 36 HZ3 LYS 4 HZ3 LYS 4 -11.271 18.539 17.640 37 H GLN 5 HN GLN 5 -8.736 15.309 18.647 38 HA GLN 5 HA GLN 5 -8.368 13.345 16.644 39 HB2 GLN 5 HB1 GLN 5 -9.688 13.154 18.826 40 HB3 GLN 5 HB2 GLN 5 -11.001 13.996 17.967 41 HG2 GLN 5 HG1 GLN 5 -11.406 11.629 17.899 42 HG3 GLN 5 HG2 GLN 5 -10.986 12.194 16.264 43 HE21 GLN 5 1HE2 GLN 5 -9.356 11.243 15.232 44 HE22 GLN 5 2HE2 GLN 5 -8.275 10.083 15.920 45 H LYS 6 HN LYS 6 -8.775 13.440 14.544 46 HA LYS 6 HA LYS 6 -11.080 14.779 13.488 47 HB2 LYS 6 HB1 LYS 6 -9.927 16.385 12.079 48 HB3 LYS 6 HB2 LYS 6 -9.544 16.689 13.791 49 HG2 LYS 6 HG1 LYS 6 -7.392 15.534 13.505 50 HG3 LYS 6 HG2 LYS 6 -7.775 15.259 11.788 51 HD2 LYS 6 HD1 LYS 6 -7.801 17.637 11.358 52 HD3 LYS 6 HD2 LYS 6 -7.604 17.993 13.091 53 HE2 LYS 6 HE1 LYS 6 -5.591 16.475 11.405 54 HE3 LYS 6 HE2 LYS 6 -5.499 18.215 11.766 55 HZ1 LYS 6 HZ1 LYS 6 -5.300 17.723 14.090 56 HZ2 LYS 6 HZ2 LYS 6 -4.137 16.823 13.256 57 HZ3 LYS 6 HZ3 LYS 6 -5.539 16.070 13.828 58 H GLU 7 HN GLU 7 -11.371 14.393 11.205 59 HA GLU 7 HA GLU 7 -9.728 12.156 10.214 60 HB2 GLU 7 HB1 GLU 7 -11.804 11.453 8.961 61 HB3 GLU 7 HB2 GLU 7 -11.875 11.277 10.731 62 HG2 GLU 7 HG1 GLU 7 -13.354 13.050 10.978 63 HG3 GLU 7 HG2 GLU 7 -12.934 13.751 9.396 64 H LYS 8 HN LYS 8 -9.386 15.048 9.779 65 HA LYS 8 HA LYS 8 -9.757 15.112 6.855 66 HB2 LYS 8 HB1 LYS 8 -9.468 17.539 8.629 67 HB3 LYS 8 HB2 LYS 8 -9.987 17.479 6.928 68 HG2 LYS 8 HG1 LYS 8 -11.527 16.376 9.292 69 HG3 LYS 8 HG2 LYS 8 -11.865 17.905 8.447 70 HD2 LYS 8 HD1 LYS 8 -11.883 15.172 7.130 71 HD3 LYS 8 HD2 LYS 8 -13.332 16.009 7.739 72 HE2 LYS 8 HE1 LYS 8 -12.506 17.976 6.231 73 HE3 LYS 8 HE2 LYS 8 -11.553 16.713 5.415 74 HZ1 LYS 8 HZ1 LYS 8 -14.478 16.464 5.859 75 HZ2 LYS 8 HZ2 LYS 8 -13.498 15.567 4.811 76 HZ3 LYS 8 HZ3 LYS 8 -13.829 17.192 4.476 77 H SER 9 HN SER 9 -7.652 13.824 7.146 78 HA SER 9 HA SER 9 -5.320 15.444 7.736 79 HB2 SER 9 HB1 SER 9 -4.229 13.182 6.801 80 HB3 SER 9 HB2 SER 9 -4.846 13.327 8.465 81 HG SER 9 HG SER 9 -6.407 12.392 6.277 82 H ARG 10 HN ARG 10 -5.956 16.965 5.959 83 HA ARG 10 HA ARG 10 -5.147 15.985 3.309 84 HB2 ARG 10 HB1 ARG 10 -6.215 18.007 2.414 85 HB3 ARG 10 HB2 ARG 10 -7.347 17.039 3.389 86 HG2 ARG 10 HG1 ARG 10 -7.007 18.569 5.285 87 HG3 ARG 10 HG2 ARG 10 -5.900 19.545 4.290 88 HD2 ARG 10 HD1 ARG 10 -8.845 19.038 3.763 89 HD3 ARG 10 HD2 ARG 10 -8.110 20.561 4.322 90 HE ARG 10 HE ARG 10 -6.847 19.950 1.952 91 HH11 ARG 10 1HH1 ARG 10 -10.122 20.524 2.986 92 HH12 ARG 10 2HH1 ARG 10 -10.626 21.178 1.463 93 HH21 ARG 10 1HH2 ARG 10 -7.499 20.809 -0.058 94 HH22 ARG 10 2HH2 ARG 10 -9.134 21.340 -0.268 95 H LEU 11 HN LEU 11 -4.306 18.180 5.864 96 HA LEU 11 HA LEU 11 -2.651 19.987 4.592 97 HB2 LEU 11 HB1 LEU 11 -2.617 18.743 7.319 98 HB3 LEU 11 HB2 LEU 11 -1.303 19.835 6.820 99 HG LEU 11 HG LEU 11 -3.307 21.450 6.253 100 HD11 LEU 11 1HD1 LEU 11 -5.162 21.209 7.835 101 HD12 LEU 11 2HD1 LEU 11 -4.490 19.654 8.379 102 HD13 LEU 11 3HD1 LEU 11 -5.077 19.834 6.709 103 HD21 LEU 11 3HD2 LEU 11 -2.358 20.896 9.073 104 HD22 LEU 11 1HD2 LEU 11 -3.109 22.405 8.503 105 HD23 LEU 11 2HD2 LEU 11 -1.526 21.902 7.863 106 H GLN 12 HN GLN 12 -0.231 20.065 4.697 107 HA GLN 12 HA GLN 12 0.941 18.176 3.097 108 HB2 GLN 12 HB1 GLN 12 2.059 20.126 5.084 109 HB3 GLN 12 HB2 GLN 12 3.144 18.979 4.262 110 HG2 GLN 12 HG1 GLN 12 2.734 19.907 2.161 111 HG3 GLN 12 HG2 GLN 12 1.243 20.714 2.704 112 HE21 GLN 12 1HE2 GLN 12 4.714 20.843 2.610 113 HE22 GLN 12 2HE2 GLN 12 4.875 22.478 3.143 114 H GLY 13 HN GLY 13 1.344 18.385 6.640 115 HA2 GLY 13 HA1 GLY 13 2.865 16.143 7.071 116 HA3 GLY 13 HA2 GLY 13 1.653 16.724 8.203 117 H GLY 14 HN GLY 14 -0.570 16.284 6.353 118 HA2 GLY 14 HA1 GLY 14 -1.453 13.812 7.148 119 HA3 GLY 14 HA2 GLY 14 -2.009 14.617 5.687 120 H VAL 15 HN VAL 15 0.593 14.560 4.393 121 HA VAL 15 HA VAL 15 0.407 12.284 2.878 122 HB VAL 15 HB VAL 15 2.717 12.649 2.174 123 HG11 VAL 15 1HG1 VAL 15 2.512 14.985 1.434 124 HG12 VAL 15 2HG1 VAL 15 1.196 15.230 2.607 125 HG13 VAL 15 3HG1 VAL 15 0.982 14.095 1.253 126 HG21 VAL 15 3HG2 VAL 15 2.847 14.608 4.479 127 HG22 VAL 15 1HG2 VAL 15 4.098 14.389 3.232 128 HG23 VAL 15 2HG2 VAL 15 3.723 13.063 4.358 129 H LEU 16 HN LEU 16 1.976 12.690 5.977 130 HA LEU 16 HA LEU 16 3.641 10.520 6.127 131 HB2 LEU 16 HB1 LEU 16 1.828 11.753 8.193 132 HB3 LEU 16 HB2 LEU 16 2.944 10.423 8.587 133 HG LEU 16 HG LEU 16 3.992 12.931 7.319 134 HD11 LEU 16 1HD1 LEU 16 4.361 13.884 9.545 135 HD12 LEU 16 2HD1 LEU 16 3.435 12.546 10.267 136 HD13 LEU 16 3HD1 LEU 16 2.627 13.707 9.186 137 HD21 LEU 16 3HD2 LEU 16 5.140 10.916 9.263 138 HD22 LEU 16 1HD2 LEU 16 6.003 12.314 8.580 139 HD23 LEU 16 2HD2 LEU 16 5.466 10.993 7.515 140 H VAL 17 HN VAL 17 0.141 10.569 6.259 141 HA VAL 17 HA VAL 17 -0.477 8.108 7.293 142 HB VAL 17 HB VAL 17 -2.487 8.109 5.911 143 HG11 VAL 17 1HG1 VAL 17 -3.385 10.305 6.554 144 HG12 VAL 17 2HG1 VAL 17 -1.730 10.876 6.873 145 HG13 VAL 17 3HG1 VAL 17 -2.427 9.571 7.863 146 HG21 VAL 17 3HG2 VAL 17 -1.163 10.381 4.413 147 HG22 VAL 17 1HG2 VAL 17 -2.840 9.830 4.191 148 HG23 VAL 17 2HG2 VAL 17 -1.487 8.750 3.779 149 H ASN 18 HN ASN 18 0.862 8.850 4.143 150 HA ASN 18 HA ASN 18 0.402 6.547 2.727 151 HB2 ASN 18 HB1 ASN 18 2.604 8.550 2.782 152 HB3 ASN 18 HB2 ASN 18 2.919 7.022 1.925 153 HD21 ASN 18 1HD2 ASN 18 2.328 9.965 1.181 154 HD22 ASN 18 2HD2 ASN 18 1.174 9.819 -0.096 155 H GLU 19 HN GLU 19 2.635 7.053 5.375 156 HA GLU 19 HA GLU 19 4.329 4.908 5.170 157 HB2 GLU 19 HB1 GLU 19 4.816 5.182 7.412 158 HB3 GLU 19 HB2 GLU 19 4.105 6.761 6.997 159 HG2 GLU 19 HG1 GLU 19 1.879 5.685 7.792 160 HG3 GLU 19 HG2 GLU 19 2.940 4.503 8.598 161 H ILE 20 HN ILE 20 0.939 4.893 5.893 162 HA ILE 20 HA ILE 20 0.530 2.537 7.218 163 HB ILE 20 HB ILE 20 -1.298 4.033 6.588 164 HG12 ILE 20 1HG1 ILE 20 -2.575 1.883 5.310 165 HG13 ILE 20 2HG1 ILE 20 -1.312 1.148 6.327 166 HG21 ILE 20 1HG2 ILE 20 -2.236 3.987 4.315 167 HG22 ILE 20 2HG2 ILE 20 -0.892 2.941 3.797 168 HG23 ILE 20 3HG2 ILE 20 -0.567 4.606 4.336 169 HD11 ILE 20 3HD1 ILE 20 -2.198 2.333 8.284 170 HD12 ILE 20 1HD1 ILE 20 -3.439 1.307 7.526 171 HD13 ILE 20 2HD1 ILE 20 -3.460 3.068 7.268 172 H LEU 21 HN LEU 21 1.171 2.964 3.766 173 HA LEU 21 HA LEU 21 0.711 0.424 2.820 174 HB2 LEU 21 HB1 LEU 21 2.356 0.888 1.082 175 HB3 LEU 21 HB2 LEU 21 1.314 2.298 1.388 176 HG LEU 21 HG LEU 21 3.393 2.917 2.980 177 HD11 LEU 21 1HD1 LEU 21 5.487 2.398 1.821 178 HD12 LEU 21 2HD1 LEU 21 4.594 1.365 0.679 179 HD13 LEU 21 3HD1 LEU 21 4.675 0.924 2.401 180 HD21 LEU 21 3HD2 LEU 21 3.221 3.423 0.001 181 HD22 LEU 21 1HD2 LEU 21 4.168 4.376 1.168 182 HD23 LEU 21 2HD2 LEU 21 2.392 4.350 1.275 183 H ASN 22 HN ASN 22 3.641 1.653 4.396 184 HA ASN 22 HA ASN 22 5.301 -0.529 4.125 185 HB2 ASN 22 HB1 ASN 22 5.190 1.823 5.759 186 HB3 ASN 22 HB2 ASN 22 5.649 0.437 6.778 187 HD21 ASN 22 1HD2 ASN 22 6.812 2.828 4.831 188 HD22 ASN 22 2HD2 ASN 22 8.349 2.149 4.427 189 H HIS 23 HN HIS 23 3.382 0.117 7.064 190 HA HIS 23 HA HIS 23 3.713 -2.341 8.273 191 HB2 HIS 23 HB1 HIS 23 2.351 -1.498 9.835 192 HB3 HIS 23 HB2 HIS 23 2.289 -0.038 8.817 193 HD1 HIS 23 HD1 HIS 23 0.100 0.442 7.588 194 HD2 HIS 23 HD2 HIS 23 0.054 -3.159 9.660 195 HE1 HIS 23 HE1 HIS 23 -2.298 -0.315 7.567 196 H MET 24 HN MET 24 1.322 -1.367 5.863 197 HA MET 24 HA MET 24 -0.375 -3.536 5.897 198 HB2 MET 24 HB1 MET 24 0.255 -1.396 4.092 199 HB3 MET 24 HB2 MET 24 0.053 -2.904 3.167 200 HG2 MET 24 HG1 MET 24 -2.007 -2.440 5.216 201 HG3 MET 24 HG2 MET 24 -1.966 -1.224 3.916 202 HE1 MET 24 HE1 MET 24 -4.938 -3.672 2.955 203 HE2 MET 24 HE2 MET 24 -4.498 -1.994 3.354 204 HE3 MET 24 HE3 MET 24 -4.419 -3.256 4.606 205 H LYS 25 HN LYS 25 2.874 -3.316 4.644 206 HA LYS 25 HA LYS 25 3.042 -5.448 2.931 207 HB2 LYS 25 HB1 LYS 25 4.907 -3.916 3.446 208 HB3 LYS 25 HB2 LYS 25 5.077 -4.684 5.043 209 HG2 LYS 25 HG1 LYS 25 6.695 -5.830 3.934 210 HG3 LYS 25 HG2 LYS 25 5.307 -6.869 3.528 211 HD2 LYS 25 HD1 LYS 25 5.088 -5.896 1.369 212 HD3 LYS 25 HD2 LYS 25 6.195 -4.564 1.779 213 HE2 LYS 25 HE1 LYS 25 8.061 -6.127 1.932 214 HE3 LYS 25 HE2 LYS 25 6.967 -7.493 1.604 215 HZ1 LYS 25 HZ1 LYS 25 7.968 -7.004 -0.433 216 HZ2 LYS 25 HZ2 LYS 25 7.811 -5.331 -0.239 217 HZ3 LYS 25 HZ3 LYS 25 6.444 -6.278 -0.549 218 H ARG 26 HN ARG 26 3.323 -5.547 6.475 219 HA ARG 26 HA ARG 26 3.876 -8.202 6.869 220 HB2 ARG 26 HB1 ARG 26 2.086 -6.351 8.452 221 HB3 ARG 26 HB2 ARG 26 2.539 -7.981 9.009 222 HG2 ARG 26 HG1 ARG 26 4.983 -7.113 8.591 223 HG3 ARG 26 HG2 ARG 26 4.217 -5.513 8.739 224 HD2 ARG 26 HD1 ARG 26 4.079 -7.755 10.780 225 HD3 ARG 26 HD2 ARG 26 5.088 -6.293 10.896 226 HE ARG 26 HE ARG 26 2.272 -6.511 11.443 227 HH11 ARG 26 1HH1 ARG 26 4.838 -4.360 10.488 228 HH12 ARG 26 2HH1 ARG 26 4.033 -2.936 11.057 229 HH21 ARG 26 1HH2 ARG 26 1.202 -4.643 12.197 230 HH22 ARG 26 2HH2 ARG 26 1.964 -3.098 12.030 231 H ALA 27 HN ALA 27 0.604 -6.789 6.711 232 HA ALA 27 HA ALA 27 -0.874 -9.110 6.890 233 HB1 ALA 27 HB1 ALA 27 -2.668 -7.905 5.713 234 HB2 ALA 27 HB2 ALA 27 -1.496 -6.652 5.242 235 HB3 ALA 27 HB3 ALA 27 -1.890 -6.901 6.959 236 H THR 28 HN THR 28 0.886 -7.828 4.159 237 HA THR 28 HA THR 28 1.069 -8.529 1.973 238 HB THR 28 HB THR 28 1.127 -11.344 2.960 239 HG1 THR 28 HG1 THR 28 2.236 -10.562 4.637 240 HG21 THR 28 3HG2 THR 28 1.750 -10.833 0.646 241 HG22 THR 28 1HG2 THR 28 3.152 -11.428 1.565 242 HG23 THR 28 2HG2 THR 28 2.983 -9.689 1.227 243 H GLN 29 HN GLN 29 -1.671 -8.288 2.803 244 HA GLN 29 HA GLN 29 -3.125 -10.574 1.863 245 HB2 GLN 29 HB1 GLN 29 -5.093 -9.333 2.294 246 HB3 GLN 29 HB2 GLN 29 -3.939 -8.894 3.577 247 HG2 GLN 29 HG1 GLN 29 -4.313 -6.765 3.082 248 HG3 GLN 29 HG2 GLN 29 -3.495 -7.042 1.526 249 HE21 GLN 29 1HE2 GLN 29 -6.654 -8.027 2.834 250 HE22 GLN 29 2HE2 GLN 29 -7.588 -7.368 1.538 251 H ILE 30 HN ILE 30 -1.385 -8.233 0.296 252 HA ILE 30 HA ILE 30 -1.184 -7.624 -1.888 253 HB ILE 30 HB ILE 30 -3.246 -9.734 -2.515 254 HG12 ILE 30 1HG1 ILE 30 -0.683 -10.745 -3.036 255 HG13 ILE 30 2HG1 ILE 30 -0.575 -9.996 -1.424 256 HG21 ILE 30 1HG2 ILE 30 -2.089 -9.836 -4.682 257 HG22 ILE 30 2HG2 ILE 30 -1.004 -8.530 -4.150 258 HG23 ILE 30 3HG2 ILE 30 -2.744 -8.215 -4.352 259 HD11 ILE 30 3HD1 ILE 30 -2.478 -11.346 -0.670 260 HD12 ILE 30 1HD1 ILE 30 -1.149 -12.367 -1.268 261 HD13 ILE 30 2HD1 ILE 30 -2.586 -12.094 -2.281 262 HA PRO 31 HA PRO 31 -5.092 -5.153 -1.457 263 HB2 PRO 31 HB1 PRO 31 -3.825 -2.728 -1.412 264 HB3 PRO 31 HB2 PRO 31 -4.093 -3.703 0.053 265 HG2 PRO 31 HG1 PRO 31 -1.628 -3.447 -1.647 266 HG3 PRO 31 HG2 PRO 31 -1.781 -3.468 0.126 267 HD2 PRO 31 HD1 PRO 31 -1.017 -5.659 -1.298 268 HD3 PRO 31 HD2 PRO 31 -1.951 -5.783 0.213 269 H SER 32 HN SER 32 -5.243 -6.063 -3.703 270 HA SER 32 HA SER 32 -4.025 -4.636 -5.862 271 HB2 SER 32 HB1 SER 32 -4.773 -7.052 -5.936 272 HB3 SER 32 HB2 SER 32 -6.447 -6.450 -6.007 273 HG SER 32 HG SER 32 -4.395 -6.274 -7.922 274 H TYR 33 HN TYR 33 -6.909 -4.276 -3.996 275 HA TYR 33 HA TYR 33 -8.507 -2.840 -5.796 276 HB2 TYR 33 HB1 TYR 33 -9.840 -2.241 -3.960 277 HB3 TYR 33 HB2 TYR 33 -9.134 -3.812 -3.512 278 HD1 TYR 33 HD2 TYR 33 -6.401 -2.923 -2.696 279 HD2 TYR 33 HD1 TYR 33 -10.219 -1.240 -1.865 280 HE1 TYR 33 HE2 TYR 33 -5.508 -1.936 -0.627 281 HE2 TYR 33 HE1 TYR 33 -9.337 -0.248 0.207 282 HH TYR 33 HH TYR 33 -6.330 -1.125 1.529 283 H LYS 34 HN LYS 34 -9.130 -0.435 -4.653 284 HA LYS 34 HA LYS 34 -6.635 1.118 -4.870 285 HB2 LYS 34 HB1 LYS 34 -7.920 2.877 -6.041 286 HB3 LYS 34 HB2 LYS 34 -7.863 1.346 -6.947 287 HG2 LYS 34 HG1 LYS 34 -10.073 1.943 -7.191 288 HG3 LYS 34 HG2 LYS 34 -10.150 0.890 -5.757 289 HD2 LYS 34 HD1 LYS 34 -11.029 2.557 -4.570 290 HD3 LYS 34 HD2 LYS 34 -9.583 3.548 -4.879 291 HE2 LYS 34 HE1 LYS 34 -11.488 4.782 -5.646 292 HE3 LYS 34 HE2 LYS 34 -10.603 4.205 -7.079 293 HZ1 LYS 34 HZ1 LYS 34 -13.274 3.836 -6.524 294 HZ2 LYS 34 HZ2 LYS 34 -12.573 2.321 -6.253 295 HZ3 LYS 34 HZ3 LYS 34 -12.380 3.086 -7.750 296 H LYS 35 HN LYS 35 -9.779 0.737 -3.410 297 HA LYS 35 HA LYS 35 -10.117 3.102 -2.048 298 HB2 LYS 35 HB1 LYS 35 -11.161 0.457 -1.909 299 HB3 LYS 35 HB2 LYS 35 -10.766 0.975 -0.252 300 HG2 LYS 35 HG1 LYS 35 -12.859 1.820 -0.336 301 HG3 LYS 35 HG2 LYS 35 -12.028 3.186 -1.120 302 HD2 LYS 35 HD1 LYS 35 -13.894 2.694 -2.494 303 HD3 LYS 35 HD2 LYS 35 -12.481 2.008 -3.333 304 HE2 LYS 35 HE1 LYS 35 -13.021 -0.211 -2.376 305 HE3 LYS 35 HE2 LYS 35 -14.465 0.491 -1.608 306 HZ1 LYS 35 HZ1 LYS 35 -14.047 -0.324 -4.337 307 HZ2 LYS 35 HZ2 LYS 35 -14.719 1.223 -4.208 308 HZ3 LYS 35 HZ3 LYS 35 -15.490 -0.096 -3.483 309 H LEU 36 HN LEU 36 -9.946 3.222 0.477 310 HA LEU 36 HA LEU 36 -7.258 2.356 1.300 311 HB2 LEU 36 HB1 LEU 36 -7.283 4.743 0.602 312 HB3 LEU 36 HB2 LEU 36 -8.487 5.056 1.876 313 HG LEU 36 HG LEU 36 -5.964 3.800 2.771 314 HD11 LEU 36 1HD1 LEU 36 -4.731 5.916 2.741 315 HD12 LEU 36 2HD1 LEU 36 -6.049 6.666 1.810 316 HD13 LEU 36 3HD1 LEU 36 -5.095 5.345 1.095 317 HD21 LEU 36 3HD2 LEU 36 -7.632 6.128 3.750 318 HD22 LEU 36 1HD2 LEU 36 -6.254 5.397 4.608 319 HD23 LEU 36 2HD2 LEU 36 -7.733 4.447 4.328 320 H ILE 37 HN ILE 37 -9.976 4.140 2.765 321 HA ILE 37 HA ILE 37 -9.660 2.927 5.299 322 HB ILE 37 HB ILE 37 -11.843 3.916 5.854 323 HG12 ILE 37 1HG1 ILE 37 -11.913 4.939 3.012 324 HG13 ILE 37 2HG1 ILE 37 -12.784 3.475 3.529 325 HG21 ILE 37 1HG2 ILE 37 -11.225 6.268 5.495 326 HG22 ILE 37 2HG2 ILE 37 -10.009 5.753 4.302 327 HG23 ILE 37 3HG2 ILE 37 -9.834 5.284 6.009 328 HD11 ILE 37 3HD1 ILE 37 -14.058 4.805 5.150 329 HD12 ILE 37 1HD1 ILE 37 -14.261 5.424 3.494 330 HD13 ILE 37 2HD1 ILE 37 -13.186 6.269 4.634 331 H MET 38 HN MET 38 -11.927 2.012 6.267 332 HA MET 38 HA MET 38 -12.211 -0.558 4.997 333 HB2 MET 38 HB1 MET 38 -13.654 0.562 7.413 334 HB3 MET 38 HB2 MET 38 -13.588 -1.146 6.917 335 HG2 MET 38 HG1 MET 38 -11.343 -1.361 7.516 336 HG3 MET 38 HG2 MET 38 -11.080 0.399 7.527 337 HE1 MET 38 HE1 MET 38 -12.678 1.564 10.838 338 HE2 MET 38 HE2 MET 38 -13.314 1.671 9.180 339 HE3 MET 38 HE3 MET 38 -11.587 1.969 9.492 340 H TYR 39 HN TYR 39 -14.275 2.255 5.594 341 HA TYR 39 HA TYR 39 -16.599 1.087 4.412 342 HB2 TYR 39 HB1 TYR 39 -15.825 3.798 5.404 343 HB3 TYR 39 HB2 TYR 39 -17.237 3.657 4.330 344 HD1 TYR 39 HD1 TYR 39 -15.839 2.652 7.607 345 HD2 TYR 39 HD2 TYR 39 -19.289 2.708 5.117 346 HE1 TYR 39 HE1 TYR 39 -17.229 1.995 9.527 347 HE2 TYR 39 HE2 TYR 39 -20.688 2.053 7.031 348 HH TYR 39 HH TYR 39 -20.673 2.060 9.411
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