NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608961 | 5kj3 | 30119 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA1 ACE 0 -13.709 -0.381 -3.966 2 H2 ACE 0 HA2 ACE 0 -14.582 1.059 -3.447 3 H3 ACE 0 HA3 ACE 0 -15.027 -0.502 -2.762 4 H MET 1 HN MET 1 -12.274 1.719 -3.071 5 HA MET 1 HA MET 1 -11.642 1.270 -0.272 6 HB2 MET 1 HB1 MET 1 -10.302 -0.393 -1.503 7 HB3 MET 1 HB2 MET 1 -9.579 0.919 -2.433 8 HG2 MET 1 HG1 MET 1 -8.335 -0.092 -0.386 9 HG3 MET 1 HG2 MET 1 -8.289 1.650 -0.688 10 HE1 MET 1 HE1 MET 1 -10.923 -0.424 2.505 11 HE2 MET 1 HE2 MET 1 -9.758 -1.268 1.485 12 HE3 MET 1 HE3 MET 1 -11.219 -0.582 0.773 13 H ASP 2 HN ASP 2 -12.384 3.426 -2.461 14 HA ASP 2 HA ASP 2 -12.026 5.694 -2.645 15 HB2 ASP 2 HB2 ASP 2 -11.159 4.973 0.097 16 HB3 ASP 2 HB1 ASP 2 -10.553 6.485 -0.525 17 H TRP 3 HN TRP 3 -10.179 3.447 -3.238 18 HA TRP 3 HA TRP 3 -7.693 3.531 -2.987 19 HB2 TRP 3 HB1 TRP 3 -9.318 3.023 -5.302 20 HB3 TRP 3 HB2 TRP 3 -7.593 3.182 -5.581 21 HD1 TRP 3 HD1 TRP 3 -9.435 0.572 -5.583 22 HE1 TRP 3 HE1 TRP 3 -8.606 -1.530 -4.336 23 HE3 TRP 3 HE3 TRP 3 -6.366 2.865 -2.333 24 HZ2 TRP 3 HZ2 TRP 3 -6.839 -2.058 -2.175 25 HZ3 TRP 3 HZ3 TRP 3 -5.159 1.532 -0.684 26 HH2 TRP 3 HH2 TRP 3 -5.385 -0.875 -0.606 27 H GLY 4 HN GLY 4 -6.091 4.126 -3.643 28 HA2 GLY 4 HA2 GLY 4 -4.820 5.817 -5.057 29 HA3 GLY 4 HA1 GLY 4 -5.706 6.986 -4.061 30 H THR 5 HN THR 5 -5.616 4.418 -2.292 31 HA THR 5 HA THR 5 -3.256 5.089 -0.763 32 HB THR 5 HB THR 5 -5.970 4.100 -0.167 33 HG1 THR 5 HG1 THR 5 -5.662 6.089 0.592 34 HG21 THR 5 HG21 THR 5 -4.270 2.300 0.565 35 HG22 THR 5 HG22 THR 5 -5.462 2.859 1.741 36 HG23 THR 5 HG23 THR 5 -3.803 3.459 1.810 37 H LEU 6 HN LEU 6 -4.223 3.036 -3.078 38 HA LEU 6 HA LEU 6 -3.085 0.606 -2.087 39 HB2 LEU 6 HB1 LEU 6 -3.531 -0.302 -4.340 40 HB3 LEU 6 HB2 LEU 6 -4.925 0.341 -3.517 41 HG LEU 6 HG LEU 6 -3.535 1.601 -5.856 42 HD11 LEU 6 HD11 LEU 6 -6.363 0.703 -5.542 43 HD12 LEU 6 HD12 LEU 6 -5.098 -0.406 -6.106 44 HD13 LEU 6 HD13 LEU 6 -5.489 1.040 -7.045 45 HD21 LEU 6 HD21 LEU 6 -5.915 2.554 -4.315 46 HD22 LEU 6 HD22 LEU 6 -5.300 3.251 -5.824 47 HD23 LEU 6 HD23 LEU 6 -4.329 3.344 -4.356 48 H GLN 7 HN GLN 7 -2.299 2.028 -5.151 49 HA GLN 7 HA GLN 7 0.139 1.346 -5.649 50 HB2 GLN 7 HB1 GLN 7 0.527 4.077 -5.850 51 HB3 GLN 7 HB2 GLN 7 -0.169 3.043 -7.097 52 HG2 GLN 7 HG1 GLN 7 -1.632 4.880 -6.776 53 HG3 GLN 7 HG2 GLN 7 -2.384 3.463 -6.031 54 HE21 GLN 7 HE21 GLN 7 -2.511 3.312 -3.828 55 HE22 GLN 7 HE22 GLN 7 -2.259 4.645 -2.777 56 H THR 8 HN THR 8 -0.697 3.267 -2.857 57 HA THR 8 HA THR 8 2.091 3.582 -2.089 58 HB THR 8 HB THR 8 0.658 5.559 -1.863 59 HG1 THR 8 HG1 THR 8 1.196 4.797 0.785 60 HG21 THR 8 HG21 THR 8 -1.151 3.673 -0.856 61 HG22 THR 8 HG22 THR 8 -1.389 5.421 -1.008 62 HG23 THR 8 HG23 THR 8 -0.760 4.744 0.496 63 H ILE 9 HN ILE 9 -0.829 2.008 -1.090 64 HA ILE 9 HA ILE 9 0.661 0.573 0.958 65 HB ILE 9 HB ILE 9 -2.315 0.973 0.888 66 HG12 ILE 9 HG11 ILE 9 -1.131 3.048 1.446 67 HG13 ILE 9 HG12 ILE 9 -1.976 2.413 2.854 68 HG21 ILE 9 HG21 ILE 9 -0.554 -0.345 2.947 69 HG22 ILE 9 HG22 ILE 9 -1.724 -1.143 1.897 70 HG23 ILE 9 HG23 ILE 9 -2.276 -0.019 3.139 71 HD11 ILE 9 HD11 ILE 9 0.969 2.147 2.298 72 HD12 ILE 9 HD12 ILE 9 0.122 1.514 3.710 73 HD13 ILE 9 HD13 ILE 9 0.219 3.255 3.447 74 H LEU 10 HN LEU 10 -1.680 0.381 -1.523 75 HA LEU 10 HA LEU 10 -2.572 -1.243 -2.801 76 HB2 LEU 10 HB2 LEU 10 -0.274 -0.986 -3.619 77 HB3 LEU 10 HB1 LEU 10 0.199 -2.367 -2.648 78 HG LEU 10 HG LEU 10 -1.136 -3.848 -3.990 79 HD11 LEU 10 HD11 LEU 10 -2.945 -1.995 -4.313 80 HD12 LEU 10 HD12 LEU 10 -2.714 -3.216 -5.562 81 HD13 LEU 10 HD13 LEU 10 -2.021 -1.607 -5.763 82 HD21 LEU 10 HD21 LEU 10 0.402 -1.857 -5.615 83 HD22 LEU 10 HD22 LEU 10 -0.153 -3.410 -6.242 84 HD23 LEU 10 HD23 LEU 10 1.013 -3.356 -4.916 85 H GLY 11 HN GLY 11 -2.896 -3.556 -3.209 86 HA2 GLY 11 HA1 GLY 11 -4.076 -4.826 -1.079 87 HA3 GLY 11 HA2 GLY 11 -3.560 -5.603 -2.567 88 H GLY 12 HN GLY 12 -0.736 -4.709 -1.916 89 HA2 GLY 12 HA2 GLY 12 0.223 -5.736 0.453 90 HA3 GLY 12 HA1 GLY 12 0.067 -7.120 -0.618 91 H VAL 13 HN VAL 13 0.921 -3.854 -1.642 92 HA VAL 13 HA VAL 13 3.094 -4.678 -3.175 93 HB VAL 13 HB VAL 13 1.992 -2.538 -3.554 94 HG11 VAL 13 HG11 VAL 13 1.980 -2.219 -0.947 95 HG12 VAL 13 HG12 VAL 13 1.902 -0.842 -2.045 96 HG13 VAL 13 HG13 VAL 13 3.434 -1.285 -1.288 97 HG21 VAL 13 HG21 VAL 13 4.922 -2.244 -2.888 98 HG22 VAL 13 HG22 VAL 13 3.988 -1.164 -3.924 99 HG23 VAL 13 HG23 VAL 13 4.257 -2.838 -4.410 100 H ASN 14 HN ASN 14 5.274 -4.795 -2.850 101 HA ASN 14 HA ASN 14 6.271 -4.228 -0.143 102 HB2 ASN 14 HB1 ASN 14 5.835 -6.672 -0.435 103 HB3 ASN 14 HB2 ASN 14 6.992 -6.680 -1.762 104 HD21 ASN 14 HD21 ASN 14 8.725 -5.624 1.758 105 HD22 ASN 14 HD22 ASN 14 7.378 -4.750 1.121 106 H LYS 15 HN LYS 15 6.424 -3.182 -3.094 107 HA LYS 15 HA LYS 15 9.233 -3.307 -3.685 108 HB2 LYS 15 HB1 LYS 15 7.075 -1.533 -4.842 109 HB3 LYS 15 HB2 LYS 15 8.695 -1.729 -5.495 110 HG2 LYS 15 HG2 LYS 15 8.242 -4.085 -5.935 111 HG3 LYS 15 HG1 LYS 15 6.619 -3.899 -5.264 112 HD2 LYS 15 HD1 LYS 15 6.091 -2.259 -7.007 113 HD3 LYS 15 HD2 LYS 15 7.711 -2.458 -7.681 114 HE2 LYS 15 HE1 LYS 15 5.608 -4.608 -7.455 115 HE3 LYS 15 HE2 LYS 15 6.064 -3.758 -8.930 116 HZ1 LYS 15 HZ1 LYS 15 7.132 -5.918 -8.784 117 HZ2 LYS 15 HZ2 LYS 15 7.856 -5.491 -7.316 118 HZ3 LYS 15 HZ3 LYS 15 8.285 -4.681 -8.738 119 H HIS 16 HN HIS 16 7.452 -1.597 -1.461 120 HA HIS 16 HA HIS 16 9.257 0.720 -1.511 121 HB2 HIS 16 HB1 HIS 16 6.664 0.318 -0.007 122 HB3 HIS 16 HB2 HIS 16 7.635 1.786 0.007 123 HD1 HIS 16 HD1 HIS 16 5.063 -0.001 -1.931 124 HD2 HIS 16 HD2 HIS 16 7.631 3.219 -2.479 125 HE1 HIS 16 HE1 HIS 16 4.190 1.218 -3.949 126 HE2 HIS 16 HE2 HIS 16 5.758 3.165 -4.263 127 H SER 17 HN SER 17 9.589 1.593 0.862 128 HA SER 17 HA SER 17 11.056 -0.477 2.237 129 HB2 SER 17 HB1 SER 17 12.035 1.758 1.990 130 HB3 SER 17 HB2 SER 17 10.697 2.457 2.901 131 HG SER 17 HG SER 17 12.940 1.521 3.863 132 H THR 18 HN THR 18 10.909 -0.589 4.674 133 HA THR 18 HA THR 18 8.311 -1.403 5.417 134 HB THR 18 HB THR 18 9.239 -1.694 7.686 135 HG1 THR 18 HG1 THR 18 10.674 -0.049 7.944 136 HG21 THR 18 HG21 THR 18 9.595 -3.445 6.021 137 HG22 THR 18 HG22 THR 18 10.981 -3.324 7.105 138 HG23 THR 18 HG23 THR 18 11.070 -2.644 5.480 139 H SER 19 HN SER 19 6.715 0.063 5.539 140 HA SER 19 HA SER 19 6.701 1.948 7.669 141 HB2 SER 19 HB1 SER 19 8.013 3.254 6.043 142 HB3 SER 19 HB2 SER 19 6.724 3.059 4.855 143 HG SER 19 HG SER 19 5.819 4.049 7.227 144 H ILE 20 HN ILE 20 5.240 -0.213 5.963 145 HA ILE 20 HA ILE 20 2.608 1.104 5.911 146 HB ILE 20 HB ILE 20 1.889 -0.743 4.439 147 HG12 ILE 20 HG12 ILE 20 4.812 -1.525 4.530 148 HG13 ILE 20 HG11 ILE 20 3.478 -2.446 5.214 149 HG21 ILE 20 HG21 ILE 20 4.327 0.736 3.461 150 HG22 ILE 20 HG22 ILE 20 2.679 1.363 3.490 151 HG23 ILE 20 HG23 ILE 20 3.087 0.001 2.446 152 HD11 ILE 20 HD11 ILE 20 3.923 -1.878 2.295 153 HD12 ILE 20 HD12 ILE 20 2.559 -2.768 2.970 154 HD13 ILE 20 HD13 ILE 20 4.194 -3.412 3.121 155 H GLY 21 HN GLY 21 0.874 -0.900 6.059 156 HA2 GLY 21 HA1 GLY 21 -0.101 -2.493 7.412 157 HA3 GLY 21 HA2 GLY 21 1.496 -2.855 8.050 158 H LYS 22 HN LYS 22 0.894 -2.969 10.187 159 HA LYS 22 HA LYS 22 -0.507 -0.731 11.401 160 HB2 LYS 22 HB2 LYS 22 0.465 -3.376 12.481 161 HB3 LYS 22 HB1 LYS 22 -0.245 -2.136 13.504 162 HG2 LYS 22 HG1 LYS 22 -1.966 -3.668 13.007 163 HG3 LYS 22 HG2 LYS 22 -2.280 -2.232 12.032 164 HD2 LYS 22 HD1 LYS 22 -2.642 -4.195 10.684 165 HD3 LYS 22 HD2 LYS 22 -1.202 -3.356 10.105 166 HE2 LYS 22 HE2 LYS 22 -0.837 -5.764 10.180 167 HE3 LYS 22 HE1 LYS 22 0.213 -4.930 11.325 168 HZ1 LYS 22 HZ1 LYS 22 -0.758 -6.902 12.309 169 HZ2 LYS 22 HZ2 LYS 22 -2.319 -6.330 11.997 170 HZ3 LYS 22 HZ3 LYS 22 -1.325 -5.517 13.099 Start of MODEL 2 1 H1 ACE 0 HA1 ACE 0 -15.474 1.208 -1.431 2 H2 ACE 0 HA2 ACE 0 -14.247 0.694 -2.587 3 H3 ACE 0 HA3 ACE 0 -14.732 2.388 -2.553 4 H MET 1 HN MET 1 -12.073 1.397 -2.281 5 HA MET 1 HA MET 1 -11.422 1.738 0.530 6 HB2 MET 1 HB1 MET 1 -10.293 -0.024 -0.775 7 HB3 MET 1 HB2 MET 1 -9.596 1.225 -1.804 8 HG2 MET 1 HG1 MET 1 -8.223 0.195 0.154 9 HG3 MET 1 HG2 MET 1 -8.107 1.920 -0.215 10 HE1 MET 1 HE1 MET 1 -7.066 2.369 2.193 11 HE2 MET 1 HE2 MET 1 -7.152 0.644 2.548 12 HE3 MET 1 HE3 MET 1 -7.797 1.814 3.699 13 H ASP 2 HN ASP 2 -12.265 3.872 -1.645 14 HA ASP 2 HA ASP 2 -11.812 6.113 -1.933 15 HB2 ASP 2 HB2 ASP 2 -10.726 5.418 0.737 16 HB3 ASP 2 HB1 ASP 2 -10.102 6.877 0.015 17 H TRP 3 HN TRP 3 -10.145 3.757 -2.627 18 HA TRP 3 HA TRP 3 -7.645 3.715 -2.613 19 HB2 TRP 3 HB1 TRP 3 -9.505 3.236 -4.749 20 HB3 TRP 3 HB2 TRP 3 -7.808 3.297 -5.192 21 HD1 TRP 3 HD1 TRP 3 -9.772 0.788 -4.942 22 HE1 TRP 3 HE1 TRP 3 -8.935 -1.322 -3.715 23 HE3 TRP 3 HE3 TRP 3 -6.295 2.999 -2.068 24 HZ2 TRP 3 HZ2 TRP 3 -6.998 -1.887 -1.715 25 HZ3 TRP 3 HZ3 TRP 3 -5.003 1.645 -0.500 26 HH2 TRP 3 HH2 TRP 3 -5.343 -0.742 -0.328 27 H GLY 4 HN GLY 4 -6.085 4.210 -3.431 28 HA2 GLY 4 HA2 GLY 4 -4.870 5.797 -5.007 29 HA3 GLY 4 HA1 GLY 4 -5.598 7.034 -3.968 30 H THR 5 HN THR 5 -5.471 4.510 -2.139 31 HA THR 5 HA THR 5 -2.945 5.095 -0.858 32 HB THR 5 HB THR 5 -5.635 4.261 0.018 33 HG1 THR 5 HG1 THR 5 -4.968 5.616 1.811 34 HG21 THR 5 HG21 THR 5 -3.960 2.395 0.638 35 HG22 THR 5 HG22 THR 5 -5.010 3.039 1.902 36 HG23 THR 5 HG23 THR 5 -3.325 3.559 1.803 37 H LEU 6 HN LEU 6 -4.225 3.040 -3.014 38 HA LEU 6 HA LEU 6 -3.115 0.580 -2.063 39 HB2 LEU 6 HB1 LEU 6 -3.822 -0.362 -4.234 40 HB3 LEU 6 HB2 LEU 6 -5.098 0.374 -3.302 41 HG LEU 6 HG LEU 6 -3.879 1.500 -5.801 42 HD11 LEU 6 HD11 LEU 6 -6.706 0.759 -5.194 43 HD12 LEU 6 HD12 LEU 6 -5.557 -0.431 -5.837 44 HD13 LEU 6 HD13 LEU 6 -5.962 1.008 -6.783 45 HD21 LEU 6 HD21 LEU 6 -6.052 2.614 -4.072 46 HD22 LEU 6 HD22 LEU 6 -5.549 3.240 -5.652 47 HD23 LEU 6 HD23 LEU 6 -4.439 3.319 -4.285 48 H GLN 7 HN GLN 7 -2.562 1.880 -5.232 49 HA GLN 7 HA GLN 7 -0.218 1.068 -5.938 50 HB2 GLN 7 HB1 GLN 7 0.280 3.770 -6.250 51 HB3 GLN 7 HB2 GLN 7 -0.581 2.745 -7.397 52 HG2 GLN 7 HG1 GLN 7 -1.916 4.660 -6.990 53 HG3 GLN 7 HG2 GLN 7 -2.661 3.302 -6.139 54 HE21 GLN 7 HE21 GLN 7 -2.584 3.210 -3.930 55 HE22 GLN 7 HE22 GLN 7 -2.167 4.552 -2.945 56 H THR 8 HN THR 8 -0.689 3.101 -3.137 57 HA THR 8 HA THR 8 2.172 3.287 -2.644 58 HB THR 8 HB THR 8 0.875 5.340 -2.330 59 HG1 THR 8 HG1 THR 8 2.703 4.472 -0.801 60 HG21 THR 8 HG21 THR 8 -0.930 3.569 -1.117 61 HG22 THR 8 HG22 THR 8 -1.098 5.320 -1.308 62 HG23 THR 8 HG23 THR 8 -0.372 4.659 0.159 63 H ILE 9 HN ILE 9 -0.713 1.894 -1.324 64 HA ILE 9 HA ILE 9 0.896 0.422 0.606 65 HB ILE 9 HB ILE 9 -2.057 0.934 0.795 66 HG12 ILE 9 HG11 ILE 9 -0.775 2.988 1.169 67 HG13 ILE 9 HG12 ILE 9 -1.490 2.422 2.674 68 HG21 ILE 9 HG21 ILE 9 -1.364 -1.180 1.806 69 HG22 ILE 9 HG22 ILE 9 -1.885 -0.020 3.028 70 HG23 ILE 9 HG23 ILE 9 -0.166 -0.324 2.777 71 HD11 ILE 9 HD11 ILE 9 0.664 1.484 3.341 72 HD12 ILE 9 HD12 ILE 9 0.768 3.216 3.028 73 HD13 ILE 9 HD13 ILE 9 1.378 2.067 1.838 74 H LEU 10 HN LEU 10 -1.678 0.285 -1.637 75 HA LEU 10 HA LEU 10 -2.749 -1.322 -2.795 76 HB2 LEU 10 HB2 LEU 10 -0.517 -1.172 -3.819 77 HB3 LEU 10 HB1 LEU 10 -0.028 -2.569 -2.880 78 HG LEU 10 HG LEU 10 -1.540 -3.992 -4.084 79 HD11 LEU 10 HD11 LEU 10 -3.306 -2.095 -4.241 80 HD12 LEU 10 HD12 LEU 10 -3.217 -3.291 -5.532 81 HD13 LEU 10 HD13 LEU 10 -2.497 -1.697 -5.755 82 HD21 LEU 10 HD21 LEU 10 -0.091 -2.072 -5.872 83 HD22 LEU 10 HD22 LEU 10 -0.755 -3.613 -6.419 84 HD23 LEU 10 HD23 LEU 10 0.535 -3.582 -5.211 85 H GLY 11 HN GLY 11 -3.146 -3.657 -3.136 86 HA2 GLY 11 HA1 GLY 11 -4.215 -4.837 -0.905 87 HA3 GLY 11 HA2 GLY 11 -3.796 -5.675 -2.391 88 H GLY 12 HN GLY 12 -0.917 -4.854 -1.950 89 HA2 GLY 12 HA2 GLY 12 0.107 -5.854 0.427 90 HA3 GLY 12 HA1 GLY 12 -0.087 -7.234 -0.642 91 H VAL 13 HN VAL 13 0.703 -4.035 -1.844 92 HA VAL 13 HA VAL 13 2.942 -4.956 -3.265 93 HB VAL 13 HB VAL 13 1.625 -2.910 -3.840 94 HG11 VAL 13 HG11 VAL 13 2.251 -2.212 -1.254 95 HG12 VAL 13 HG12 VAL 13 1.497 -1.170 -2.461 96 HG13 VAL 13 HG13 VAL 13 3.248 -1.136 -2.230 97 HG21 VAL 13 HG21 VAL 13 4.613 -2.562 -3.600 98 HG22 VAL 13 HG22 VAL 13 3.553 -1.640 -4.666 99 HG23 VAL 13 HG23 VAL 13 3.763 -3.374 -4.915 100 H ASN 14 HN ASN 14 5.160 -4.652 -2.964 101 HA ASN 14 HA ASN 14 6.094 -3.575 -0.433 102 HB2 ASN 14 HB1 ASN 14 5.623 -5.912 0.122 103 HB3 ASN 14 HB2 ASN 14 6.617 -6.446 -1.230 104 HD21 ASN 14 HD21 ASN 14 9.142 -6.841 1.131 105 HD22 ASN 14 HD22 ASN 14 7.995 -7.606 0.089 106 H LYS 15 HN LYS 15 7.266 -2.037 -1.502 107 HA LYS 15 HA LYS 15 9.730 -2.941 -2.722 108 HB2 LYS 15 HB1 LYS 15 9.440 -1.518 -4.734 109 HB3 LYS 15 HB2 LYS 15 8.309 -2.863 -4.673 110 HG2 LYS 15 HG2 LYS 15 6.560 -1.356 -3.871 111 HG3 LYS 15 HG1 LYS 15 7.696 -0.007 -3.941 112 HD2 LYS 15 HD2 LYS 15 7.944 -0.342 -6.353 113 HD3 LYS 15 HD1 LYS 15 6.810 -1.692 -6.282 114 HE2 LYS 15 HE1 LYS 15 5.054 -0.183 -5.505 115 HE3 LYS 15 HE2 LYS 15 6.186 1.168 -5.559 116 HZ1 LYS 15 HZ1 LYS 15 5.323 -0.452 -7.894 117 HZ2 LYS 15 HZ2 LYS 15 6.398 0.852 -7.942 118 HZ3 LYS 15 HZ3 LYS 15 4.780 1.107 -7.522 119 H HIS 16 HN HIS 16 8.163 -1.002 -0.661 120 HA HIS 16 HA HIS 16 9.888 1.334 -1.026 121 HB2 HIS 16 HB1 HIS 16 7.568 0.870 0.858 122 HB3 HIS 16 HB2 HIS 16 8.478 2.371 0.728 123 HD1 HIS 16 HD1 HIS 16 5.675 0.532 -0.754 124 HD2 HIS 16 HD2 HIS 16 8.122 3.723 -1.804 125 HE1 HIS 16 HE1 HIS 16 4.495 1.689 -2.650 126 HE2 HIS 16 HE2 HIS 16 5.994 3.617 -3.270 127 H SER 17 HN SER 17 10.457 2.309 1.309 128 HA SER 17 HA SER 17 12.383 0.500 2.395 129 HB2 SER 17 HB1 SER 17 12.947 2.366 3.912 130 HB3 SER 17 HB2 SER 17 12.858 2.897 2.232 131 HG SER 17 HG SER 17 11.664 4.378 3.236 132 H THR 18 HN THR 18 12.551 0.569 4.957 133 HA THR 18 HA THR 18 10.132 -0.750 5.898 134 HB THR 18 HB THR 18 11.475 -1.469 7.811 135 HG1 THR 18 HG1 THR 18 12.870 0.240 8.123 136 HG21 THR 18 HG21 THR 18 11.569 -2.687 5.615 137 HG22 THR 18 HG22 THR 18 12.967 -2.935 6.659 138 HG23 THR 18 HG23 THR 18 13.078 -1.838 5.283 139 H SER 19 HN SER 19 10.730 2.297 5.643 140 HA SER 19 HA SER 19 10.387 3.196 8.371 141 HB2 SER 19 HB2 SER 19 10.358 4.735 5.768 142 HB3 SER 19 HB1 SER 19 10.356 5.458 7.376 143 HG SER 19 HG SER 19 12.459 5.265 6.311 144 H ILE 20 HN ILE 20 8.372 1.643 6.570 145 HA ILE 20 HA ILE 20 6.054 3.402 7.003 146 HB ILE 20 HB ILE 20 4.847 1.899 5.454 147 HG12 ILE 20 HG12 ILE 20 7.565 0.612 5.100 148 HG13 ILE 20 HG11 ILE 20 6.165 -0.136 5.863 149 HG21 ILE 20 HG21 ILE 20 7.410 3.044 4.352 150 HG22 ILE 20 HG22 ILE 20 5.909 3.928 4.621 151 HG23 ILE 20 HG23 ILE 20 5.972 2.646 3.411 152 HD11 ILE 20 HD11 ILE 20 4.961 -0.042 3.742 153 HD12 ILE 20 HD12 ILE 20 6.463 -0.956 3.607 154 HD13 ILE 20 HD13 ILE 20 6.371 0.689 2.978 155 H GLY 21 HN GLY 21 3.998 1.682 7.111 156 HA2 GLY 21 HA2 GLY 21 4.439 -0.540 8.852 157 HA3 GLY 21 HA1 GLY 21 3.848 0.863 9.732 158 H LYS 22 HN LYS 22 2.285 -1.252 9.889 159 HA LYS 22 HA LYS 22 0.141 -0.783 7.926 160 HB2 LYS 22 HB1 LYS 22 -0.657 -3.096 8.605 161 HB3 LYS 22 HB2 LYS 22 0.823 -3.028 7.661 162 HG2 LYS 22 HG2 LYS 22 0.953 -3.137 10.643 163 HG3 LYS 22 HG1 LYS 22 0.676 -4.605 9.705 164 HD2 LYS 22 HD2 LYS 22 2.735 -4.178 8.442 165 HD3 LYS 22 HD1 LYS 22 3.015 -2.723 9.401 166 HE2 LYS 22 HE2 LYS 22 3.150 -4.083 11.427 167 HE3 LYS 22 HE1 LYS 22 2.863 -5.538 10.473 168 HZ1 LYS 22 HZ1 LYS 22 5.193 -3.716 10.195 169 HZ2 LYS 22 HZ2 LYS 22 4.919 -5.108 9.273 170 HZ3 LYS 22 HZ3 LYS 22 5.211 -5.239 10.934 Start of MODEL 3 1 H1 ACE 0 HA1 ACE 0 -14.862 1.614 -1.017 2 H2 ACE 0 HA2 ACE 0 -14.680 -0.134 -0.892 3 H3 ACE 0 HA3 ACE 0 -13.825 0.724 -2.172 4 H MET 1 HN MET 1 -12.170 2.249 -1.541 5 HA MET 1 HA MET 1 -11.095 1.945 1.141 6 HB2 MET 1 HB1 MET 1 -10.083 0.121 -0.175 7 HB3 MET 1 HB2 MET 1 -9.455 1.321 -1.302 8 HG2 MET 1 HG1 MET 1 -7.948 0.350 0.587 9 HG3 MET 1 HG2 MET 1 -7.844 2.059 0.143 10 HE1 MET 1 HE1 MET 1 -6.611 2.560 2.451 11 HE2 MET 1 HE2 MET 1 -6.708 0.853 2.884 12 HE3 MET 1 HE3 MET 1 -7.242 2.085 4.028 13 H ASP 2 HN ASP 2 -12.081 4.000 -1.049 14 HA ASP 2 HA ASP 2 -11.633 6.222 -1.462 15 HB2 ASP 2 HB2 ASP 2 -10.354 5.623 1.146 16 HB3 ASP 2 HB1 ASP 2 -9.779 7.047 0.319 17 H TRP 3 HN TRP 3 -10.043 3.822 -2.184 18 HA TRP 3 HA TRP 3 -7.548 3.755 -2.356 19 HB2 TRP 3 HB1 TRP 3 -9.570 3.209 -4.325 20 HB3 TRP 3 HB2 TRP 3 -7.910 3.233 -4.897 21 HD1 TRP 3 HD1 TRP 3 -9.871 0.759 -4.396 22 HE1 TRP 3 HE1 TRP 3 -8.960 -1.310 -3.150 23 HE3 TRP 3 HE3 TRP 3 -6.169 3.044 -1.883 24 HZ2 TRP 3 HZ2 TRP 3 -6.882 -1.815 -1.279 25 HZ3 TRP 3 HZ3 TRP 3 -4.773 1.741 -0.363 26 HH2 TRP 3 HH2 TRP 3 -5.118 -0.635 -0.068 27 H GLY 4 HN GLY 4 -6.053 4.197 -3.316 28 HA2 GLY 4 HA2 GLY 4 -4.948 5.703 -5.040 29 HA3 GLY 4 HA1 GLY 4 -5.587 6.991 -4.005 30 H THR 5 HN THR 5 -5.342 4.543 -2.086 31 HA THR 5 HA THR 5 -2.724 5.153 -1.021 32 HB THR 5 HB THR 5 -5.347 4.384 0.086 33 HG1 THR 5 HG1 THR 5 -4.848 6.373 0.687 34 HG21 THR 5 HG21 THR 5 -3.646 2.530 0.661 35 HG22 THR 5 HG22 THR 5 -4.591 3.241 1.972 36 HG23 THR 5 HG23 THR 5 -2.916 3.735 1.721 37 H LEU 6 HN LEU 6 -4.178 3.023 -2.986 38 HA LEU 6 HA LEU 6 -3.020 0.594 -2.018 39 HB2 LEU 6 HB1 LEU 6 -3.892 -0.428 -4.088 40 HB3 LEU 6 HB2 LEU 6 -5.090 0.358 -3.096 41 HG LEU 6 HG LEU 6 -4.053 1.367 -5.723 42 HD11 LEU 6 HD11 LEU 6 -6.831 0.683 -4.875 43 HD12 LEU 6 HD12 LEU 6 -5.744 -0.545 -5.555 44 HD13 LEU 6 HD13 LEU 6 -6.209 0.859 -6.524 45 HD21 LEU 6 HD21 LEU 6 -6.079 2.576 -3.884 46 HD22 LEU 6 HD22 LEU 6 -5.694 3.130 -5.522 47 HD23 LEU 6 HD23 LEU 6 -4.482 3.253 -4.248 48 H GLN 7 HN GLN 7 -2.693 1.759 -5.269 49 HA GLN 7 HA GLN 7 -0.415 0.892 -6.113 50 HB2 GLN 7 HB1 GLN 7 0.083 3.572 -6.571 51 HB3 GLN 7 HB2 GLN 7 -0.869 2.512 -7.608 52 HG2 GLN 7 HG1 GLN 7 -2.154 4.457 -7.184 53 HG3 GLN 7 HG2 GLN 7 -2.845 3.143 -6.224 54 HE21 GLN 7 HE21 GLN 7 -2.606 3.139 -4.027 55 HE22 GLN 7 HE22 GLN 7 -2.106 4.516 -3.131 56 H THR 8 HN THR 8 -0.659 3.041 -3.370 57 HA THR 8 HA THR 8 2.232 3.211 -3.097 58 HB THR 8 HB THR 8 0.980 5.291 -2.775 59 HG1 THR 8 HG1 THR 8 2.950 4.814 -1.543 60 HG21 THR 8 HG21 THR 8 -0.746 3.596 -1.357 61 HG22 THR 8 HG22 THR 8 -0.909 5.340 -1.605 62 HG23 THR 8 HG23 THR 8 -0.081 4.727 -0.172 63 H ILE 9 HN ILE 9 -0.562 1.911 -1.508 64 HA ILE 9 HA ILE 9 1.173 0.504 0.360 65 HB ILE 9 HB ILE 9 -1.753 1.064 0.737 66 HG12 ILE 9 HG11 ILE 9 -0.415 3.106 0.943 67 HG13 ILE 9 HG12 ILE 9 -1.034 2.610 2.514 68 HG21 ILE 9 HG21 ILE 9 0.264 -0.195 2.589 69 HG22 ILE 9 HG22 ILE 9 -1.080 -1.012 1.791 70 HG23 ILE 9 HG23 ILE 9 -1.397 0.217 3.015 71 HD11 ILE 9 HD11 ILE 9 1.762 2.161 1.501 72 HD12 ILE 9 HD12 ILE 9 1.142 1.664 3.075 73 HD13 ILE 9 HD13 ILE 9 1.259 3.378 2.674 74 H LEU 10 HN LEU 10 -1.554 0.298 -1.689 75 HA LEU 10 HA LEU 10 -2.719 -1.346 -2.693 76 HB2 LEU 10 HB2 LEU 10 -0.571 -1.255 -3.887 77 HB3 LEU 10 HB1 LEU 10 -0.018 -2.615 -2.931 78 HG LEU 10 HG LEU 10 -1.622 -4.075 -3.958 79 HD11 LEU 10 HD11 LEU 10 -3.382 -2.163 -4.065 80 HD12 LEU 10 HD12 LEU 10 -3.403 -3.425 -5.296 81 HD13 LEU 10 HD13 LEU 10 -2.690 -1.853 -5.656 82 HD21 LEU 10 HD21 LEU 10 -0.300 -2.243 -5.927 83 HD22 LEU 10 HD22 LEU 10 -1.010 -3.800 -6.358 84 HD23 LEU 10 HD23 LEU 10 0.364 -3.729 -5.251 85 H GLY 11 HN GLY 11 -3.162 -3.682 -2.909 86 HA2 GLY 11 HA1 GLY 11 -4.043 -4.764 -0.540 87 HA3 GLY 11 HA2 GLY 11 -3.794 -5.652 -2.036 88 H GLY 12 HN GLY 12 -0.871 -4.882 -1.913 89 HA2 GLY 12 HA2 GLY 12 0.378 -5.835 0.372 90 HA3 GLY 12 HA1 GLY 12 0.042 -7.243 -0.623 91 H VAL 13 HN VAL 13 0.792 -4.079 -1.955 92 HA VAL 13 HA VAL 13 2.786 -5.055 -3.648 93 HB VAL 13 HB VAL 13 1.581 -2.948 -4.058 94 HG11 VAL 13 HG11 VAL 13 2.107 -2.378 -1.511 95 HG12 VAL 13 HG12 VAL 13 1.693 -1.148 -2.706 96 HG13 VAL 13 HG13 VAL 13 3.383 -1.438 -2.281 97 HG21 VAL 13 HG21 VAL 13 3.489 -1.669 -4.909 98 HG22 VAL 13 HG22 VAL 13 3.661 -3.392 -5.251 99 HG23 VAL 13 HG23 VAL 13 4.582 -2.657 -3.939 100 H ASN 14 HN ASN 14 5.036 -4.939 -3.612 101 HA ASN 14 HA ASN 14 6.178 -4.744 -0.916 102 HB2 ASN 14 HB1 ASN 14 7.282 -6.043 -3.414 103 HB3 ASN 14 HB2 ASN 14 8.078 -6.028 -1.844 104 HD21 ASN 14 HD21 ASN 14 5.105 -7.993 -0.590 105 HD22 ASN 14 HD22 ASN 14 5.572 -6.343 -0.386 106 H LYS 15 HN LYS 15 6.735 -2.661 -0.586 107 HA LYS 15 HA LYS 15 8.812 -1.557 -2.316 108 HB2 LYS 15 HB1 LYS 15 6.268 -0.104 -1.580 109 HB3 LYS 15 HB2 LYS 15 7.694 0.690 -2.231 110 HG2 LYS 15 HG2 LYS 15 7.512 -0.678 -4.261 111 HG3 LYS 15 HG1 LYS 15 6.052 -1.425 -3.608 112 HD2 LYS 15 HD2 LYS 15 4.936 0.732 -3.569 113 HD3 LYS 15 HD1 LYS 15 6.405 1.522 -4.147 114 HE2 LYS 15 HE1 LYS 15 4.804 -0.550 -5.643 115 HE3 LYS 15 HE2 LYS 15 4.803 1.184 -5.960 116 HZ1 LYS 15 HZ1 LYS 15 7.152 1.049 -6.509 117 HZ2 LYS 15 HZ2 LYS 15 6.250 0.009 -7.491 118 HZ3 LYS 15 HZ3 LYS 15 7.152 -0.616 -6.205 119 H HIS 16 HN HIS 16 7.665 -2.280 0.703 120 HA HIS 16 HA HIS 16 8.927 -0.096 2.127 121 HB2 HIS 16 HB2 HIS 16 7.686 -2.654 3.159 122 HB3 HIS 16 HB1 HIS 16 8.213 -1.300 4.153 123 HD1 HIS 16 HD1 HIS 16 5.355 -2.561 2.258 124 HD2 HIS 16 HD2 HIS 16 6.632 1.104 3.741 125 HE1 HIS 16 HE1 HIS 16 3.326 -1.075 2.216 126 HE2 HIS 16 HE2 HIS 16 4.122 1.139 3.119 127 H SER 17 HN SER 17 10.144 -2.613 0.509 128 HA SER 17 HA SER 17 12.105 -3.762 0.522 129 HB2 SER 17 HB1 SER 17 12.901 -1.642 2.533 130 HB3 SER 17 HB2 SER 17 14.015 -2.728 1.704 131 HG SER 17 HG SER 17 12.307 -0.825 0.470 132 H THR 18 HN THR 18 13.896 -4.563 2.337 133 HA THR 18 HA THR 18 12.411 -6.445 3.904 134 HB THR 18 HB THR 18 14.613 -7.283 4.624 135 HG1 THR 18 HG1 THR 18 15.793 -5.310 2.964 136 HG21 THR 18 HG21 THR 18 13.690 -8.052 2.494 137 HG22 THR 18 HG22 THR 18 15.448 -7.947 2.415 138 HG23 THR 18 HG23 THR 18 14.455 -6.697 1.665 139 H SER 19 HN SER 19 14.083 -6.693 6.158 140 HA SER 19 HA SER 19 14.321 -5.983 8.300 141 HB2 SER 19 HB2 SER 19 14.130 -3.221 7.085 142 HB3 SER 19 HB1 SER 19 14.678 -3.580 8.722 143 HG SER 19 HG SER 19 16.572 -3.925 7.910 144 H ILE 20 HN ILE 20 11.627 -6.045 6.755 145 HA ILE 20 HA ILE 20 10.011 -4.667 8.793 146 HB ILE 20 HB ILE 20 8.134 -4.861 7.194 147 HG12 ILE 20 HG12 ILE 20 10.260 -5.884 5.296 148 HG13 ILE 20 HG11 ILE 20 8.961 -6.852 5.986 149 HG21 ILE 20 HG21 ILE 20 10.588 -3.503 6.089 150 HG22 ILE 20 HG22 ILE 20 9.475 -2.828 7.278 151 HG23 ILE 20 HG23 ILE 20 8.922 -3.148 5.635 152 HD11 ILE 20 HD11 ILE 20 8.452 -6.215 3.708 153 HD12 ILE 20 HD12 ILE 20 8.618 -4.511 4.130 154 HD13 ILE 20 HD13 ILE 20 7.315 -5.470 4.831 155 H GLY 21 HN GLY 21 7.634 -5.969 8.549 156 HA2 GLY 21 HA2 GLY 21 7.514 -8.700 8.414 157 HA3 GLY 21 HA1 GLY 21 8.137 -8.375 10.025 158 H LYS 22 HN LYS 22 6.021 -9.607 10.406 159 HA LYS 22 HA LYS 22 3.672 -7.880 10.282 160 HB2 LYS 22 HB1 LYS 22 4.050 -10.785 10.999 161 HB3 LYS 22 HB2 LYS 22 2.522 -9.948 11.233 162 HG2 LYS 22 HG1 LYS 22 2.360 -11.102 9.181 163 HG3 LYS 22 HG2 LYS 22 2.562 -9.395 8.785 164 HD2 LYS 22 HD1 LYS 22 3.944 -10.710 7.317 165 HD3 LYS 22 HD2 LYS 22 4.980 -9.810 8.425 166 HE2 LYS 22 HE1 LYS 22 5.763 -12.104 8.155 167 HE3 LYS 22 HE2 LYS 22 5.240 -11.800 9.812 168 HZ1 LYS 22 HZ1 LYS 22 3.145 -12.895 9.315 169 HZ2 LYS 22 HZ2 LYS 22 4.445 -13.934 9.011 170 HZ3 LYS 22 HZ3 LYS 22 3.644 -13.184 7.724 Start of MODEL 4 1 H1 ACE 0 HA1 ACE 0 -13.805 1.205 -2.704 2 H2 ACE 0 HA2 ACE 0 -14.960 1.272 -1.375 3 H3 ACE 0 HA3 ACE 0 -14.305 -0.291 -1.859 4 H MET 1 HN MET 1 -12.095 2.289 -1.979 5 HA MET 1 HA MET 1 -11.140 1.899 0.731 6 HB2 MET 1 HB1 MET 1 -10.076 0.091 -0.567 7 HB3 MET 1 HB2 MET 1 -9.382 1.306 -1.637 8 HG2 MET 1 HG1 MET 1 -7.979 0.289 0.307 9 HG3 MET 1 HG2 MET 1 -7.842 2.006 -0.098 10 HE1 MET 1 HE1 MET 1 -7.439 1.931 3.816 11 HE2 MET 1 HE2 MET 1 -6.736 2.478 2.294 12 HE3 MET 1 HE3 MET 1 -6.842 0.754 2.647 13 H ASP 2 HN ASP 2 -12.000 4.001 -1.470 14 HA ASP 2 HA ASP 2 -11.515 6.226 -1.818 15 HB2 ASP 2 HB2 ASP 2 -10.377 5.571 0.840 16 HB3 ASP 2 HB1 ASP 2 -9.747 7.003 0.071 17 H TRP 3 HN TRP 3 -9.907 3.826 -2.499 18 HA TRP 3 HA TRP 3 -7.409 3.742 -2.546 19 HB2 TRP 3 HB1 TRP 3 -9.330 3.248 -4.626 20 HB3 TRP 3 HB2 TRP 3 -7.643 3.270 -5.111 21 HD1 TRP 3 HD1 TRP 3 -9.644 0.803 -4.758 22 HE1 TRP 3 HE1 TRP 3 -8.813 -1.295 -3.506 23 HE3 TRP 3 HE3 TRP 3 -6.058 3.011 -2.019 24 HZ2 TRP 3 HZ2 TRP 3 -6.838 -1.852 -1.543 25 HZ3 TRP 3 HZ3 TRP 3 -4.751 1.669 -0.454 26 HH2 TRP 3 HH2 TRP 3 -5.128 -0.709 -0.222 27 H GLY 4 HN GLY 4 -5.861 4.188 -3.417 28 HA2 GLY 4 HA2 GLY 4 -4.659 5.718 -5.055 29 HA3 GLY 4 HA1 GLY 4 -5.340 6.992 -4.027 30 H THR 5 HN THR 5 -5.210 4.504 -2.147 31 HA THR 5 HA THR 5 -2.644 5.073 -0.941 32 HB THR 5 HB THR 5 -5.326 4.307 0.019 33 HG1 THR 5 HG1 THR 5 -4.979 6.066 1.132 34 HG21 THR 5 HG21 THR 5 -3.669 2.425 0.640 35 HG22 THR 5 HG22 THR 5 -4.675 3.116 1.916 36 HG23 THR 5 HG23 THR 5 -2.985 3.603 1.761 37 H LEU 6 HN LEU 6 -4.013 2.994 -3.018 38 HA LEU 6 HA LEU 6 -2.923 0.537 -2.041 39 HB2 LEU 6 HB1 LEU 6 -3.701 -0.439 -4.171 40 HB3 LEU 6 HB2 LEU 6 -4.940 0.340 -3.225 41 HG LEU 6 HG LEU 6 -3.764 1.388 -5.778 42 HD11 LEU 6 HD11 LEU 6 -6.587 0.712 -5.084 43 HD12 LEU 6 HD12 LEU 6 -5.477 -0.512 -5.730 44 HD13 LEU 6 HD13 LEU 6 -5.880 0.913 -6.695 45 HD21 LEU 6 HD21 LEU 6 -5.872 2.579 -4.020 46 HD22 LEU 6 HD22 LEU 6 -5.400 3.161 -5.626 47 HD23 LEU 6 HD23 LEU 6 -4.253 3.251 -4.290 48 H GLN 7 HN GLN 7 -2.428 1.764 -5.250 49 HA GLN 7 HA GLN 7 -0.118 0.893 -5.998 50 HB2 GLN 7 HB1 GLN 7 0.424 3.579 -6.375 51 HB3 GLN 7 HB2 GLN 7 -0.485 2.549 -7.480 52 HG2 GLN 7 HG1 GLN 7 -1.774 4.496 -7.079 53 HG3 GLN 7 HG2 GLN 7 -2.521 3.168 -6.181 54 HE21 GLN 7 HE21 GLN 7 -2.390 3.118 -3.975 55 HE22 GLN 7 HE22 GLN 7 -1.925 4.471 -3.027 56 H THR 8 HN THR 8 -0.479 2.988 -3.226 57 HA THR 8 HA THR 8 2.396 3.125 -2.807 58 HB THR 8 HB THR 8 1.146 5.209 -2.500 59 HG1 THR 8 HG1 THR 8 1.815 5.321 -0.063 60 HG21 THR 8 HG21 THR 8 -0.662 3.500 -1.210 61 HG22 THR 8 HG22 THR 8 -0.795 5.252 -1.418 62 HG23 THR 8 HG23 THR 8 -0.043 4.591 0.036 63 H ILE 9 HN ILE 9 -0.484 1.819 -1.385 64 HA ILE 9 HA ILE 9 1.143 0.351 0.532 65 HB ILE 9 HB ILE 9 -1.796 0.927 0.768 66 HG12 ILE 9 HG11 ILE 9 -0.450 2.950 1.098 67 HG13 ILE 9 HG12 ILE 9 -1.162 2.421 2.619 68 HG21 ILE 9 HG21 ILE 9 0.110 -0.401 2.688 69 HG22 ILE 9 HG22 ILE 9 -1.200 -1.180 1.801 70 HG23 ILE 9 HG23 ILE 9 -1.566 0.020 3.040 71 HD11 ILE 9 HD11 ILE 9 0.970 1.438 3.277 72 HD12 ILE 9 HD12 ILE 9 1.126 3.159 2.926 73 HD13 ILE 9 HD13 ILE 9 1.683 1.966 1.752 74 H LEU 10 HN LEU 10 -1.484 0.214 -1.650 75 HA LEU 10 HA LEU 10 -2.606 -1.395 -2.755 76 HB2 LEU 10 HB2 LEU 10 -0.397 -1.295 -3.834 77 HB3 LEU 10 HB1 LEU 10 0.093 -2.684 -2.884 78 HG LEU 10 HG LEU 10 -1.469 -4.102 -4.028 79 HD11 LEU 10 HD11 LEU 10 -3.210 -2.179 -4.174 80 HD12 LEU 10 HD12 LEU 10 -3.172 -3.400 -5.444 81 HD13 LEU 10 HD13 LEU 10 -2.432 -1.822 -5.715 82 HD21 LEU 10 HD21 LEU 10 -0.036 -2.234 -5.883 83 HD22 LEU 10 HD22 LEU 10 -0.736 -3.773 -6.387 84 HD23 LEU 10 HD23 LEU 10 0.583 -3.743 -5.212 85 H GLY 11 HN GLY 11 -3.057 -3.720 -3.045 86 HA2 GLY 11 HA1 GLY 11 -4.076 -4.847 -0.761 87 HA3 GLY 11 HA2 GLY 11 -3.737 -5.708 -2.253 88 H GLY 12 HN GLY 12 -0.823 -4.975 -1.945 89 HA2 GLY 12 HA2 GLY 12 0.260 -5.984 0.409 90 HA3 GLY 12 HA1 GLY 12 -0.005 -7.361 -0.650 91 H VAL 13 HN VAL 13 0.826 -4.180 -1.875 92 HA VAL 13 HA VAL 13 2.984 -5.147 -3.384 93 HB VAL 13 HB VAL 13 1.714 -3.062 -3.894 94 HG11 VAL 13 HG11 VAL 13 2.267 -2.416 -1.338 95 HG12 VAL 13 HG12 VAL 13 1.749 -1.259 -2.565 96 HG13 VAL 13 HG13 VAL 13 3.465 -1.445 -2.189 97 HG21 VAL 13 HG21 VAL 13 4.716 -2.809 -3.731 98 HG22 VAL 13 HG22 VAL 13 3.661 -1.805 -4.726 99 HG23 VAL 13 HG23 VAL 13 3.795 -3.535 -5.049 100 H ASN 14 HN ASN 14 5.237 -4.809 -3.179 101 HA ASN 14 HA ASN 14 6.118 -4.662 -0.386 102 HB2 ASN 14 HB2 ASN 14 7.552 -5.714 -2.832 103 HB3 ASN 14 HB1 ASN 14 8.190 -5.738 -1.191 104 HD21 ASN 14 HD21 ASN 14 5.590 -6.340 -0.016 105 HD22 ASN 14 HD22 ASN 14 5.287 -8.007 -0.358 106 H LYS 15 HN LYS 15 5.555 -2.430 -2.453 107 HA LYS 15 HA LYS 15 8.179 -1.124 -2.427 108 HB2 LYS 15 HB1 LYS 15 5.633 -0.368 -3.872 109 HB3 LYS 15 HB2 LYS 15 7.162 0.493 -3.993 110 HG2 LYS 15 HG2 LYS 15 8.209 -1.484 -4.967 111 HG3 LYS 15 HG1 LYS 15 6.684 -2.361 -4.829 112 HD2 LYS 15 HD1 LYS 15 6.924 -1.576 -7.089 113 HD3 LYS 15 HD2 LYS 15 5.633 -0.664 -6.305 114 HE2 LYS 15 HE1 LYS 15 7.179 1.186 -5.903 115 HE3 LYS 15 HE2 LYS 15 8.475 0.276 -6.678 116 HZ1 LYS 15 HZ1 LYS 15 5.969 1.176 -7.994 117 HZ2 LYS 15 HZ2 LYS 15 7.213 0.304 -8.738 118 HZ3 LYS 15 HZ3 LYS 15 7.495 1.880 -8.191 119 H HIS 16 HN HIS 16 8.505 -0.146 -0.519 120 HA HIS 16 HA HIS 16 6.615 1.935 0.272 121 HB2 HIS 16 HB1 HIS 16 7.592 -0.256 2.109 122 HB3 HIS 16 HB2 HIS 16 6.841 1.231 2.677 123 HD1 HIS 16 HD1 HIS 16 6.053 -2.137 1.579 124 HD2 HIS 16 HD2 HIS 16 4.077 1.516 1.723 125 HE1 HIS 16 HE1 HIS 16 3.608 -2.684 1.354 126 HE2 HIS 16 HE2 HIS 16 2.432 -0.459 1.443 127 H SER 17 HN SER 17 7.619 3.191 2.216 128 HA SER 17 HA SER 17 10.520 3.456 1.781 129 HB2 SER 17 HB1 SER 17 8.521 5.705 2.120 130 HB3 SER 17 HB2 SER 17 10.270 5.904 2.016 131 HG SER 17 HG SER 17 8.802 6.069 0.021 132 H THR 18 HN THR 18 8.106 2.801 3.938 133 HA THR 18 HA THR 18 9.841 3.476 6.213 134 HB THR 18 HB THR 18 7.840 3.978 7.580 135 HG1 THR 18 HG1 THR 18 5.949 3.530 6.764 136 HG21 THR 18 HG21 THR 18 8.195 5.682 5.115 137 HG22 THR 18 HG22 THR 18 9.080 5.828 6.633 138 HG23 THR 18 HG23 THR 18 7.354 6.193 6.579 139 H SER 19 HN SER 19 10.337 1.744 7.370 140 HA SER 19 HA SER 19 9.380 -0.818 6.840 141 HB2 SER 19 HB1 SER 19 10.694 0.236 9.353 142 HB3 SER 19 HB2 SER 19 10.455 -1.471 8.979 143 HG SER 19 HG SER 19 12.174 -1.384 7.792 144 H ILE 20 HN ILE 20 7.895 -2.150 7.824 145 HA ILE 20 HA ILE 20 6.203 -1.038 9.927 146 HB ILE 20 HB ILE 20 4.168 -1.700 8.686 147 HG12 ILE 20 HG12 ILE 20 6.109 -2.057 6.392 148 HG13 ILE 20 HG11 ILE 20 5.189 -3.336 7.177 149 HG21 ILE 20 HG21 ILE 20 5.974 0.375 7.459 150 HG22 ILE 20 HG22 ILE 20 4.728 0.610 8.688 151 HG23 ILE 20 HG23 ILE 20 4.268 0.202 7.035 152 HD11 ILE 20 HD11 ILE 20 4.040 -1.063 5.580 153 HD12 ILE 20 HD12 ILE 20 3.111 -2.324 6.387 154 HD13 ILE 20 HD13 ILE 20 4.193 -2.740 5.058 155 H GLY 21 HN GLY 21 4.283 -2.917 10.108 156 HA2 GLY 21 HA1 GLY 21 3.813 -5.076 10.754 157 HA3 GLY 21 HA2 GLY 21 5.215 -5.592 9.829 158 H LYS 22 HN LYS 22 7.060 -6.118 10.877 159 HA LYS 22 HA LYS 22 6.930 -6.236 13.773 160 HB2 LYS 22 HB1 LYS 22 8.878 -7.355 11.759 161 HB3 LYS 22 HB2 LYS 22 9.117 -7.496 13.494 162 HG2 LYS 22 HG1 LYS 22 8.158 -9.526 12.802 163 HG3 LYS 22 HG2 LYS 22 6.860 -8.624 13.587 164 HD2 LYS 22 HD2 LYS 22 6.007 -7.933 11.410 165 HD3 LYS 22 HD1 LYS 22 7.322 -8.797 10.610 166 HE2 LYS 22 HE1 LYS 22 6.501 -10.904 11.561 167 HE3 LYS 22 HE2 LYS 22 5.178 -10.033 12.334 168 HZ1 LYS 22 HZ1 LYS 22 5.643 -10.227 9.407 169 HZ2 LYS 22 HZ2 LYS 22 4.374 -9.389 10.147 170 HZ3 LYS 22 HZ3 LYS 22 4.464 -11.073 10.279 Start of MODEL 5 1 H1 ACE 0 HA1 ACE 0 -15.231 0.178 -2.733 2 H2 ACE 0 HA2 ACE 0 -14.038 -0.735 -3.653 3 H3 ACE 0 HA3 ACE 0 -14.125 1.012 -3.865 4 H MET 1 HN MET 1 -12.269 1.774 -3.113 5 HA MET 1 HA MET 1 -11.660 1.350 -0.302 6 HB2 MET 1 HB1 MET 1 -10.330 -0.334 -1.515 7 HB3 MET 1 HB2 MET 1 -9.590 0.964 -2.450 8 HG2 MET 1 HG1 MET 1 -8.369 -0.046 -0.386 9 HG3 MET 1 HG2 MET 1 -8.301 1.693 -0.706 10 HE1 MET 1 HE1 MET 1 -9.813 -1.183 1.493 11 HE2 MET 1 HE2 MET 1 -11.262 -0.490 0.764 12 HE3 MET 1 HE3 MET 1 -10.976 -0.313 2.495 13 H ASP 2 HN ASP 2 -12.375 3.494 -2.512 14 HA ASP 2 HA ASP 2 -11.995 5.757 -2.713 15 HB2 ASP 2 HB2 ASP 2 -11.144 5.050 0.039 16 HB3 ASP 2 HB1 ASP 2 -10.527 6.554 -0.593 17 H TRP 3 HN TRP 3 -10.166 3.490 -3.280 18 HA TRP 3 HA TRP 3 -7.681 3.556 -3.018 19 HB2 TRP 3 HB1 TRP 3 -9.299 3.040 -5.335 20 HB3 TRP 3 HB2 TRP 3 -7.572 3.183 -5.608 21 HD1 TRP 3 HD1 TRP 3 -9.433 0.588 -5.595 22 HE1 TRP 3 HE1 TRP 3 -8.626 -1.510 -4.326 23 HE3 TRP 3 HE3 TRP 3 -6.362 2.885 -2.350 24 HZ2 TRP 3 HZ2 TRP 3 -6.873 -2.032 -2.153 25 HZ3 TRP 3 HZ3 TRP 3 -5.173 1.557 -0.683 26 HH2 TRP 3 HH2 TRP 3 -5.418 -0.847 -0.587 27 H GLY 4 HN GLY 4 -6.072 4.134 -3.666 28 HA2 GLY 4 HA2 GLY 4 -4.781 5.804 -5.089 29 HA3 GLY 4 HA1 GLY 4 -5.661 6.987 -4.106 30 H THR 5 HN THR 5 -5.602 4.433 -2.316 31 HA THR 5 HA THR 5 -3.243 5.098 -0.783 32 HB THR 5 HB THR 5 -5.966 4.132 -0.190 33 HG1 THR 5 HG1 THR 5 -4.920 5.381 1.854 34 HG21 THR 5 HG21 THR 5 -4.282 2.329 0.565 35 HG22 THR 5 HG22 THR 5 -5.473 2.907 1.732 36 HG23 THR 5 HG23 THR 5 -3.810 3.496 1.801 37 H LEU 6 HN LEU 6 -4.214 3.033 -3.085 38 HA LEU 6 HA LEU 6 -3.099 0.603 -2.069 39 HB2 LEU 6 HB1 LEU 6 -3.541 -0.319 -4.318 40 HB3 LEU 6 HB2 LEU 6 -4.935 0.340 -3.506 41 HG LEU 6 HG LEU 6 -3.524 1.572 -5.849 42 HD11 LEU 6 HD11 LEU 6 -6.361 0.696 -5.540 43 HD12 LEU 6 HD12 LEU 6 -5.102 -0.425 -6.093 44 HD13 LEU 6 HD13 LEU 6 -5.480 1.019 -7.041 45 HD21 LEU 6 HD21 LEU 6 -5.904 2.556 -4.326 46 HD22 LEU 6 HD22 LEU 6 -5.277 3.236 -5.837 47 HD23 LEU 6 HD23 LEU 6 -4.311 3.332 -4.366 48 H GLN 7 HN GLN 7 -2.291 1.992 -5.141 49 HA GLN 7 HA GLN 7 0.147 1.289 -5.622 50 HB2 GLN 7 HB1 GLN 7 0.552 4.014 -5.851 51 HB3 GLN 7 HB2 GLN 7 -0.147 2.972 -7.088 52 HG2 GLN 7 HG1 GLN 7 -1.598 4.824 -6.791 53 HG3 GLN 7 HG2 GLN 7 -2.362 3.419 -6.035 54 HE21 GLN 7 HE21 GLN 7 -2.499 3.290 -3.832 55 HE22 GLN 7 HE22 GLN 7 -2.241 4.630 -2.792 56 H THR 8 HN THR 8 -0.691 3.244 -2.853 57 HA THR 8 HA THR 8 2.096 3.550 -2.077 58 HB THR 8 HB THR 8 0.676 5.539 -1.877 59 HG1 THR 8 HG1 THR 8 1.093 5.001 0.795 60 HG21 THR 8 HG21 THR 8 -1.150 3.673 -0.859 61 HG22 THR 8 HG22 THR 8 -1.379 5.419 -1.037 62 HG23 THR 8 HG23 THR 8 -0.762 4.760 0.480 63 H ILE 9 HN ILE 9 -0.838 2.005 -1.072 64 HA ILE 9 HA ILE 9 0.640 0.581 0.993 65 HB ILE 9 HB ILE 9 -2.335 0.978 0.917 66 HG12 ILE 9 HG11 ILE 9 -1.172 3.074 1.424 67 HG13 ILE 9 HG12 ILE 9 -1.998 2.464 2.853 68 HG21 ILE 9 HG21 ILE 9 -1.651 -1.120 1.970 69 HG22 ILE 9 HG22 ILE 9 -2.333 0.002 3.146 70 HG23 ILE 9 HG23 ILE 9 -0.587 -0.228 3.055 71 HD11 ILE 9 HD11 ILE 9 0.945 2.212 2.280 72 HD12 ILE 9 HD12 ILE 9 0.114 1.609 3.714 73 HD13 ILE 9 HD13 ILE 9 0.194 3.343 3.406 74 H LEU 10 HN LEU 10 -1.694 0.376 -1.493 75 HA LEU 10 HA LEU 10 -2.594 -1.260 -2.752 76 HB2 LEU 10 HB2 LEU 10 -0.297 -1.012 -3.575 77 HB3 LEU 10 HB1 LEU 10 0.176 -2.385 -2.595 78 HG LEU 10 HG LEU 10 -1.166 -3.874 -3.922 79 HD11 LEU 10 HD11 LEU 10 -2.970 -2.019 -4.261 80 HD12 LEU 10 HD12 LEU 10 -2.741 -3.250 -5.501 81 HD13 LEU 10 HD13 LEU 10 -2.044 -1.644 -5.713 82 HD21 LEU 10 HD21 LEU 10 0.376 -1.901 -5.567 83 HD22 LEU 10 HD22 LEU 10 -0.179 -3.460 -6.177 84 HD23 LEU 10 HD23 LEU 10 0.985 -3.392 -4.851 85 H GLY 11 HN GLY 11 -2.912 -3.579 -3.143 86 HA2 GLY 11 HA1 GLY 11 -4.068 -4.834 -0.981 87 HA3 GLY 11 HA2 GLY 11 -3.592 -5.614 -2.482 88 H GLY 12 HN GLY 12 -0.752 -4.719 -1.889 89 HA2 GLY 12 HA2 GLY 12 0.258 -5.765 0.453 90 HA3 GLY 12 HA1 GLY 12 0.083 -7.140 -0.628 91 H VAL 13 HN VAL 13 0.916 -3.853 -1.613 92 HA VAL 13 HA VAL 13 3.038 -4.632 -3.228 93 HB VAL 13 HB VAL 13 1.973 -2.476 -3.514 94 HG11 VAL 13 HG11 VAL 13 1.903 -2.259 -0.917 95 HG12 VAL 13 HG12 VAL 13 1.909 -0.823 -1.941 96 HG13 VAL 13 HG13 VAL 13 3.399 -1.360 -1.158 97 HG21 VAL 13 HG21 VAL 13 4.246 -2.737 -4.366 98 HG22 VAL 13 HG22 VAL 13 4.895 -2.194 -2.819 99 HG23 VAL 13 HG23 VAL 13 3.961 -1.084 -3.822 100 H ASN 14 HN ASN 14 5.231 -4.773 -2.978 101 HA ASN 14 HA ASN 14 6.295 -4.374 -0.263 102 HB2 ASN 14 HB2 ASN 14 7.688 -6.402 -0.571 103 HB3 ASN 14 HB1 ASN 14 5.964 -6.763 -0.571 104 HD21 ASN 14 HD21 ASN 14 5.862 -7.923 -3.855 105 HD22 ASN 14 HD22 ASN 14 4.963 -7.386 -2.481 106 H LYS 15 HN LYS 15 6.370 -3.019 -3.058 107 HA LYS 15 HA LYS 15 9.109 -3.112 -3.854 108 HB2 LYS 15 HB1 LYS 15 6.966 -1.071 -4.476 109 HB3 LYS 15 HB2 LYS 15 8.527 -1.181 -5.279 110 HG2 LYS 15 HG1 LYS 15 7.941 -3.412 -6.101 111 HG3 LYS 15 HG2 LYS 15 6.368 -3.281 -5.313 112 HD2 LYS 15 HD1 LYS 15 6.107 -2.741 -7.639 113 HD3 LYS 15 HD2 LYS 15 5.906 -1.266 -6.692 114 HE2 LYS 15 HE2 LYS 15 7.271 -0.880 -8.688 115 HE3 LYS 15 HE1 LYS 15 8.185 -0.598 -7.207 116 HZ1 LYS 15 HZ1 LYS 15 8.303 -3.064 -8.858 117 HZ2 LYS 15 HZ2 LYS 15 9.193 -2.775 -7.449 118 HZ3 LYS 15 HZ3 LYS 15 9.473 -1.842 -8.831 119 H HIS 16 HN HIS 16 7.552 -1.675 -1.254 120 HA HIS 16 HA HIS 16 9.459 0.532 -1.045 121 HB2 HIS 16 HB2 HIS 16 7.098 -0.159 0.714 122 HB3 HIS 16 HB1 HIS 16 8.080 1.297 0.831 123 HD1 HIS 16 HD1 HIS 16 5.224 -0.172 -0.978 124 HD2 HIS 16 HD2 HIS 16 7.709 3.140 -1.335 125 HE1 HIS 16 HE1 HIS 16 4.067 1.365 -2.597 126 HE2 HIS 16 HE2 HIS 16 5.589 3.364 -2.799 127 H SER 17 HN SER 17 8.094 -1.681 1.382 128 HA SER 17 HA SER 17 9.024 -2.728 3.173 129 HB2 SER 17 HB2 SER 17 9.991 -4.135 1.421 130 HB3 SER 17 HB1 SER 17 11.350 -3.022 1.257 131 HG SER 17 HG SER 17 12.255 -3.942 2.906 132 H THR 18 HN THR 18 9.037 -0.675 4.312 133 HA THR 18 HA THR 18 11.655 -0.080 5.346 134 HB THR 18 HB THR 18 10.092 2.140 4.017 135 HG1 THR 18 HG1 THR 18 11.890 2.183 2.587 136 HG21 THR 18 HG21 THR 18 12.752 2.169 5.447 137 HG22 THR 18 HG22 THR 18 11.252 2.888 6.030 138 HG23 THR 18 HG23 THR 18 12.035 3.533 4.588 139 H SER 19 HN SER 19 10.839 -0.755 7.318 140 HA SER 19 HA SER 19 9.839 -0.556 9.351 141 HB2 SER 19 HB1 SER 19 10.863 1.686 9.292 142 HB3 SER 19 HB2 SER 19 9.424 2.309 8.484 143 HG SER 19 HG SER 19 8.493 2.455 10.353 144 H ILE 20 HN ILE 20 8.240 -0.819 6.702 145 HA ILE 20 HA ILE 20 5.585 -0.232 7.823 146 HB ILE 20 HB ILE 20 4.754 -0.451 5.485 147 HG12 ILE 20 HG11 ILE 20 6.725 -0.078 3.772 148 HG13 ILE 20 HG12 ILE 20 7.671 -0.914 4.999 149 HG21 ILE 20 HG21 ILE 20 6.909 1.614 5.903 150 HG22 ILE 20 HG22 ILE 20 5.244 1.728 6.476 151 HG23 ILE 20 HG23 ILE 20 5.583 1.720 4.745 152 HD11 ILE 20 HD11 ILE 20 6.815 -2.390 3.214 153 HD12 ILE 20 HD12 ILE 20 5.174 -2.018 3.742 154 HD13 ILE 20 HD13 ILE 20 6.282 -2.855 4.829 155 H GLY 21 HN GLY 21 3.875 -1.818 6.767 156 HA2 GLY 21 HA1 GLY 21 3.232 -4.028 6.290 157 HA3 GLY 21 HA2 GLY 21 4.869 -4.559 6.646 158 H LYS 22 HN LYS 22 5.191 -5.581 8.506 159 HA LYS 22 HA LYS 22 4.813 -6.502 10.548 160 HB2 LYS 22 HB1 LYS 22 3.451 -3.856 11.085 161 HB3 LYS 22 HB2 LYS 22 3.958 -5.011 12.309 162 HG2 LYS 22 HG1 LYS 22 5.805 -3.591 10.400 163 HG3 LYS 22 HG2 LYS 22 5.511 -3.124 12.077 164 HD2 LYS 22 HD1 LYS 22 6.373 -5.284 12.833 165 HD3 LYS 22 HD2 LYS 22 6.661 -5.759 11.157 166 HE2 LYS 22 HE2 LYS 22 8.239 -3.905 10.906 167 HE3 LYS 22 HE1 LYS 22 7.951 -3.433 12.580 168 HZ1 LYS 22 HZ1 LYS 22 8.835 -5.562 13.298 169 HZ2 LYS 22 HZ2 LYS 22 9.973 -4.732 12.363 170 HZ3 LYS 22 HZ3 LYS 22 9.108 -6.020 11.691 Start of MODEL 6 1 H1 ACE 0 HA1 ACE 0 -14.524 1.036 -1.882 2 H2 ACE 0 HA2 ACE 0 -14.495 2.713 -2.423 3 H3 ACE 0 HA3 ACE 0 -15.541 2.270 -1.077 4 H MET 1 HN MET 1 -12.115 2.013 -2.017 5 HA MET 1 HA MET 1 -11.366 2.402 0.778 6 HB2 MET 1 HB1 MET 1 -10.371 0.502 -0.437 7 HB3 MET 1 HB2 MET 1 -9.640 1.642 -1.566 8 HG2 MET 1 HG1 MET 1 -8.260 0.667 0.411 9 HG3 MET 1 HG2 MET 1 -8.072 2.361 -0.061 10 HE1 MET 1 HE1 MET 1 -11.008 0.608 1.937 11 HE2 MET 1 HE2 MET 1 -10.486 0.878 3.600 12 HE3 MET 1 HE3 MET 1 -9.549 -0.177 2.543 13 H ASP 2 HN ASP 2 -12.156 4.438 -1.509 14 HA ASP 2 HA ASP 2 -11.594 6.628 -1.953 15 HB2 ASP 2 HB2 ASP 2 -10.469 6.044 0.728 16 HB3 ASP 2 HB1 ASP 2 -9.791 7.420 -0.103 17 H TRP 3 HN TRP 3 -10.074 4.144 -2.534 18 HA TRP 3 HA TRP 3 -7.582 3.966 -2.582 19 HB2 TRP 3 HB1 TRP 3 -9.527 3.455 -4.634 20 HB3 TRP 3 HB2 TRP 3 -7.844 3.395 -5.125 21 HD1 TRP 3 HD1 TRP 3 -9.928 1.019 -4.662 22 HE1 TRP 3 HE1 TRP 3 -9.166 -1.053 -3.324 23 HE3 TRP 3 HE3 TRP 3 -6.257 3.213 -2.027 24 HZ2 TRP 3 HZ2 TRP 3 -7.204 -1.594 -1.342 25 HZ3 TRP 3 HZ3 TRP 3 -4.994 1.895 -0.410 26 HH2 TRP 3 HH2 TRP 3 -5.450 -0.455 -0.075 27 H GLY 4 HN GLY 4 -6.022 4.319 -3.464 28 HA2 GLY 4 HA2 GLY 4 -4.769 5.732 -5.172 29 HA3 GLY 4 HA1 GLY 4 -5.396 7.072 -4.197 30 H THR 5 HN THR 5 -5.354 4.665 -2.211 31 HA THR 5 HA THR 5 -2.764 5.187 -1.038 32 HB THR 5 HB THR 5 -5.467 4.573 -0.035 33 HG1 THR 5 HG1 THR 5 -3.877 5.820 1.715 34 HG21 THR 5 HG21 THR 5 -3.881 2.648 0.649 35 HG22 THR 5 HG22 THR 5 -4.864 3.421 1.894 36 HG23 THR 5 HG23 THR 5 -3.156 3.837 1.731 37 H LEU 6 HN LEU 6 -4.224 3.066 -3.015 38 HA LEU 6 HA LEU 6 -3.220 0.611 -1.941 39 HB2 LEU 6 HB1 LEU 6 -4.034 -0.412 -4.035 40 HB3 LEU 6 HB2 LEU 6 -5.241 0.448 -3.122 41 HG LEU 6 HG LEU 6 -4.033 1.350 -5.713 42 HD11 LEU 6 HD11 LEU 6 -6.877 0.809 -4.990 43 HD12 LEU 6 HD12 LEU 6 -5.814 -0.479 -5.591 44 HD13 LEU 6 HD13 LEU 6 -6.168 0.922 -6.609 45 HD21 LEU 6 HD21 LEU 6 -6.092 2.691 -4.007 46 HD22 LEU 6 HD22 LEU 6 -5.594 3.190 -5.632 47 HD23 LEU 6 HD23 LEU 6 -4.448 3.287 -4.297 48 H GLN 7 HN GLN 7 -2.685 1.571 -5.232 49 HA GLN 7 HA GLN 7 -0.407 0.656 -5.987 50 HB2 GLN 7 HB1 GLN 7 0.227 3.340 -6.334 51 HB3 GLN 7 HB2 GLN 7 -0.677 2.326 -7.456 52 HG2 GLN 7 HG1 GLN 7 -2.005 4.221 -7.116 53 HG3 GLN 7 HG2 GLN 7 -2.708 2.958 -6.098 54 HE21 GLN 7 HE21 GLN 7 -2.549 3.073 -3.923 55 HE22 GLN 7 HE22 GLN 7 -2.057 4.481 -3.076 56 H THR 8 HN THR 8 -0.625 2.884 -3.279 57 HA THR 8 HA THR 8 2.256 2.849 -2.848 58 HB THR 8 HB THR 8 1.266 5.032 -2.693 59 HG1 THR 8 HG1 THR 8 1.777 4.126 -0.039 60 HG21 THR 8 HG21 THR 8 -0.813 3.534 -1.390 61 HG22 THR 8 HG22 THR 8 -0.853 5.187 -2.030 62 HG23 THR 8 HG23 THR 8 -0.308 4.896 -0.376 63 H ILE 9 HN ILE 9 -0.717 1.960 -1.299 64 HA ILE 9 HA ILE 9 0.758 0.335 0.623 65 HB ILE 9 HB ILE 9 -1.898 1.559 1.250 66 HG12 ILE 9 HG11 ILE 9 -0.297 3.384 0.847 67 HG13 ILE 9 HG12 ILE 9 -0.742 3.289 2.546 68 HG21 ILE 9 HG21 ILE 9 -1.335 -0.350 2.604 69 HG22 ILE 9 HG22 ILE 9 -1.205 1.108 3.588 70 HG23 ILE 9 HG23 ILE 9 0.251 0.330 2.968 71 HD11 ILE 9 HD11 ILE 9 1.356 2.169 3.046 72 HD12 ILE 9 HD12 ILE 9 1.632 3.723 2.260 73 HD13 ILE 9 HD13 ILE 9 1.800 2.229 1.340 74 H LEU 10 HN LEU 10 -0.285 -0.241 -1.942 75 HA LEU 10 HA LEU 10 -2.629 -1.404 -2.374 76 HB2 LEU 10 HB2 LEU 10 -0.715 -1.332 -3.914 77 HB3 LEU 10 HB1 LEU 10 -0.035 -2.715 -3.090 78 HG LEU 10 HG LEU 10 -1.790 -4.144 -3.863 79 HD11 LEU 10 HD11 LEU 10 -3.498 -2.148 -3.670 80 HD12 LEU 10 HD12 LEU 10 -3.785 -3.483 -4.783 81 HD13 LEU 10 HD13 LEU 10 -3.128 -1.959 -5.383 82 HD21 LEU 10 HD21 LEU 10 -0.800 -2.277 -5.986 83 HD22 LEU 10 HD22 LEU 10 -1.585 -3.820 -6.327 84 HD23 LEU 10 HD23 LEU 10 -0.046 -3.781 -5.461 85 H GLY 11 HN GLY 11 -3.361 -3.581 -2.474 86 HA2 GLY 11 HA1 GLY 11 -3.777 -4.805 -0.089 87 HA3 GLY 11 HA2 GLY 11 -3.848 -5.618 -1.644 88 H GLY 12 HN GLY 12 -0.922 -5.049 -2.063 89 HA2 GLY 12 HA2 GLY 12 0.486 -6.412 0.018 90 HA3 GLY 12 HA1 GLY 12 0.140 -7.481 -1.331 91 H VAL 13 HN VAL 13 0.777 -4.054 -1.766 92 HA VAL 13 HA VAL 13 2.775 -4.499 -3.676 93 HB VAL 13 HB VAL 13 1.566 -2.417 -3.676 94 HG11 VAL 13 HG11 VAL 13 1.658 -2.504 -1.046 95 HG12 VAL 13 HG12 VAL 13 1.397 -0.993 -1.916 96 HG13 VAL 13 HG13 VAL 13 3.001 -1.392 -1.296 97 HG21 VAL 13 HG21 VAL 13 4.485 -1.960 -3.064 98 HG22 VAL 13 HG22 VAL 13 3.417 -0.835 -3.904 99 HG23 VAL 13 HG23 VAL 13 3.812 -2.391 -4.636 100 H ASN 14 HN ASN 14 4.962 -4.625 -3.597 101 HA ASN 14 HA ASN 14 6.181 -4.579 -0.916 102 HB2 ASN 14 HB1 ASN 14 6.191 -6.808 -1.940 103 HB3 ASN 14 HB2 ASN 14 7.019 -6.164 -3.353 104 HD21 ASN 14 HD21 ASN 14 9.281 -5.860 0.011 105 HD22 ASN 14 HD22 ASN 14 7.706 -5.157 -0.081 106 H LYS 15 HN LYS 15 6.686 -2.372 -0.985 107 HA LYS 15 HA LYS 15 9.006 -1.755 -2.670 108 HB2 LYS 15 HB1 LYS 15 6.618 0.056 -2.270 109 HB3 LYS 15 HB2 LYS 15 8.126 0.542 -3.031 110 HG2 LYS 15 HG2 LYS 15 6.322 -1.644 -4.044 111 HG3 LYS 15 HG1 LYS 15 6.342 0.013 -4.646 112 HD2 LYS 15 HD2 LYS 15 8.691 -0.257 -5.295 113 HD3 LYS 15 HD1 LYS 15 8.659 -1.920 -4.705 114 HE2 LYS 15 HE2 LYS 15 6.928 -2.469 -6.342 115 HE3 LYS 15 HE1 LYS 15 6.953 -0.806 -6.929 116 HZ1 LYS 15 HZ1 LYS 15 9.258 -1.114 -7.590 117 HZ2 LYS 15 HZ2 LYS 15 8.262 -2.255 -8.343 118 HZ3 LYS 15 HZ3 LYS 15 9.230 -2.711 -7.032 119 H HIS 16 HN HIS 16 7.410 -1.651 0.325 120 HA HIS 16 HA HIS 16 9.249 0.339 1.431 121 HB2 HIS 16 HB1 HIS 16 7.839 0.159 3.473 122 HB3 HIS 16 HB2 HIS 16 6.928 0.640 2.045 123 HD1 HIS 16 HD1 HIS 16 5.065 -0.897 1.266 124 HD2 HIS 16 HD2 HIS 16 7.298 -2.484 4.390 125 HE1 HIS 16 HE1 HIS 16 3.794 -2.925 2.039 126 HE2 HIS 16 HE2 HIS 16 5.163 -3.870 3.931 127 H SER 17 HN SER 17 10.575 -0.109 3.226 128 HA SER 17 HA SER 17 11.641 -2.786 3.238 129 HB2 SER 17 HB2 SER 17 13.160 -0.869 3.343 130 HB3 SER 17 HB1 SER 17 12.416 -0.344 4.854 131 HG SER 17 HG SER 17 13.717 -1.649 5.837 132 H THR 18 HN THR 18 10.378 -0.622 5.778 133 HA THR 18 HA THR 18 10.202 -2.696 7.721 134 HB THR 18 HB THR 18 8.926 -1.061 9.066 135 HG1 THR 18 HG1 THR 18 8.737 1.091 8.094 136 HG21 THR 18 HG21 THR 18 11.364 -1.002 9.119 137 HG22 THR 18 HG22 THR 18 10.703 0.627 9.255 138 HG23 THR 18 HG23 THR 18 11.382 0.075 7.723 139 H SER 19 HN SER 19 8.917 -4.387 7.221 140 HA SER 19 HA SER 19 6.503 -4.252 5.799 141 HB2 SER 19 HB2 SER 19 6.073 -6.524 6.709 142 HB3 SER 19 HB1 SER 19 7.688 -6.356 6.021 143 HG SER 19 HG SER 19 7.294 -7.344 8.271 144 H ILE 20 HN ILE 20 4.351 -4.321 6.467 145 HA ILE 20 HA ILE 20 3.787 -3.847 9.291 146 HB ILE 20 HB ILE 20 2.295 -1.956 8.704 147 HG12 ILE 20 HG12 ILE 20 3.689 -2.119 6.022 148 HG13 ILE 20 HG11 ILE 20 2.000 -2.523 6.317 149 HG21 ILE 20 HG21 ILE 20 5.237 -1.718 8.125 150 HG22 ILE 20 HG22 ILE 20 4.398 -1.407 9.646 151 HG23 ILE 20 HG23 ILE 20 4.172 -0.320 8.277 152 HD11 ILE 20 HD11 ILE 20 2.208 -0.328 5.319 153 HD12 ILE 20 HD12 ILE 20 3.246 0.195 6.645 154 HD13 ILE 20 HD13 ILE 20 1.558 -0.209 6.954 155 H GLY 21 HN GLY 21 3.301 -5.927 7.114 156 HA2 GLY 21 HA2 GLY 21 0.518 -5.945 6.547 157 HA3 GLY 21 HA1 GLY 21 1.607 -7.317 6.416 158 H LYS 22 HN LYS 22 -0.920 -5.902 8.166 159 HA LYS 22 HA LYS 22 -2.107 -6.516 10.003 160 HB2 LYS 22 HB1 LYS 22 -0.800 -9.150 9.325 161 HB3 LYS 22 HB2 LYS 22 -1.984 -8.980 10.614 162 HG2 LYS 22 HG1 LYS 22 -3.148 -9.774 8.721 163 HG3 LYS 22 HG2 LYS 22 -3.573 -8.070 8.894 164 HD2 LYS 22 HD1 LYS 22 -1.969 -7.477 7.159 165 HD3 LYS 22 HD2 LYS 22 -1.493 -9.170 7.005 166 HE2 LYS 22 HE2 LYS 22 -3.763 -9.746 6.303 167 HE3 LYS 22 HE1 LYS 22 -4.243 -8.056 6.464 168 HZ1 LYS 22 HZ1 LYS 22 -3.762 -8.625 4.169 169 HZ2 LYS 22 HZ2 LYS 22 -2.191 -9.094 4.585 170 HZ3 LYS 22 HZ3 LYS 22 -2.658 -7.475 4.738 Start of MODEL 7 1 H1 ACE 0 HA1 ACE 0 -14.943 2.726 0.408 2 H2 ACE 0 HA2 ACE 0 -14.275 1.214 -0.200 3 H3 ACE 0 HA3 ACE 0 -13.957 2.703 -1.085 4 H MET 1 HN MET 1 -11.740 2.520 -0.940 5 HA MET 1 HA MET 1 -10.607 2.758 1.758 6 HB2 MET 1 HB1 MET 1 -9.850 0.784 0.484 7 HB3 MET 1 HB2 MET 1 -9.224 1.865 -0.760 8 HG2 MET 1 HG1 MET 1 -7.649 0.881 1.068 9 HG3 MET 1 HG2 MET 1 -7.450 2.549 0.511 10 HE1 MET 1 HE1 MET 1 -6.537 2.753 4.327 11 HE2 MET 1 HE2 MET 1 -6.000 3.070 2.678 12 HE3 MET 1 HE3 MET 1 -6.197 1.409 3.236 13 H ASP 2 HN ASP 2 -11.608 4.759 -0.477 14 HA ASP 2 HA ASP 2 -11.025 6.910 -1.061 15 HB2 ASP 2 HB2 ASP 2 -9.591 6.356 1.474 16 HB3 ASP 2 HB1 ASP 2 -8.974 7.678 0.519 17 H TRP 3 HN TRP 3 -9.688 4.350 -1.748 18 HA TRP 3 HA TRP 3 -7.229 4.067 -2.103 19 HB2 TRP 3 HB1 TRP 3 -9.437 3.581 -3.875 20 HB3 TRP 3 HB2 TRP 3 -7.833 3.437 -4.573 21 HD1 TRP 3 HD1 TRP 3 -9.930 1.163 -3.771 22 HE1 TRP 3 HE1 TRP 3 -9.082 -0.900 -2.472 23 HE3 TRP 3 HE3 TRP 3 -5.873 3.277 -1.696 24 HZ2 TRP 3 HZ2 TRP 3 -6.905 -1.467 -0.737 25 HZ3 TRP 3 HZ3 TRP 3 -4.464 1.953 -0.208 26 HH2 TRP 3 HH2 TRP 3 -4.962 -0.366 0.260 27 H GLY 4 HN GLY 4 -5.781 4.333 -3.184 28 HA2 GLY 4 HA2 GLY 4 -4.702 5.646 -5.081 29 HA3 GLY 4 HA1 GLY 4 -5.152 7.035 -4.078 30 H THR 5 HN THR 5 -4.948 4.684 -2.036 31 HA THR 5 HA THR 5 -2.211 5.132 -1.215 32 HB THR 5 HB THR 5 -4.787 4.657 0.138 33 HG1 THR 5 HG1 THR 5 -3.927 6.663 0.383 34 HG21 THR 5 HG21 THR 5 -3.198 2.689 0.679 35 HG22 THR 5 HG22 THR 5 -3.989 3.533 2.013 36 HG23 THR 5 HG23 THR 5 -2.302 3.877 1.625 37 H LEU 6 HN LEU 6 -3.990 3.020 -2.925 38 HA LEU 6 HA LEU 6 -2.951 0.556 -1.906 39 HB2 LEU 6 HB1 LEU 6 -4.058 -0.490 -3.849 40 HB3 LEU 6 HB2 LEU 6 -5.109 0.443 -2.819 41 HG LEU 6 HG LEU 6 -4.207 1.224 -5.569 42 HD11 LEU 6 HD11 LEU 6 -6.953 0.820 -4.476 43 HD12 LEU 6 HD12 LEU 6 -6.025 -0.527 -5.165 44 HD13 LEU 6 HD13 LEU 6 -6.453 0.861 -6.174 45 HD21 LEU 6 HD21 LEU 6 -5.981 2.694 -3.662 46 HD22 LEU 6 HD22 LEU 6 -5.674 3.128 -5.352 47 HD23 LEU 6 HD23 LEU 6 -4.366 3.213 -4.174 48 H GLN 7 HN GLN 7 -2.797 1.402 -5.269 49 HA GLN 7 HA GLN 7 -0.670 0.377 -6.272 50 HB2 GLN 7 HB1 GLN 7 0.024 3.022 -6.774 51 HB3 GLN 7 HB2 GLN 7 -1.054 2.021 -7.745 52 HG2 GLN 7 HG1 GLN 7 -2.252 3.980 -7.299 53 HG3 GLN 7 HG2 GLN 7 -2.872 2.772 -6.164 54 HE21 GLN 7 HE21 GLN 7 -2.440 2.935 -4.032 55 HE22 GLN 7 HE22 GLN 7 -1.790 4.339 -3.293 56 H THR 8 HN THR 8 -0.455 2.683 -3.628 57 HA THR 8 HA THR 8 2.452 2.531 -3.556 58 HB THR 8 HB THR 8 1.581 4.757 -3.334 59 HG1 THR 8 HG1 THR 8 3.390 4.128 -1.965 60 HG21 THR 8 HG21 THR 8 -0.381 3.382 -1.749 61 HG22 THR 8 HG22 THR 8 -0.430 5.021 -2.422 62 HG23 THR 8 HG23 THR 8 0.301 4.739 -0.840 63 H ILE 9 HN ILE 9 -0.335 1.816 -1.615 64 HA ILE 9 HA ILE 9 1.304 0.171 0.151 65 HB ILE 9 HB ILE 9 -1.230 1.485 1.046 66 HG12 ILE 9 HG11 ILE 9 0.352 3.260 0.422 67 HG13 ILE 9 HG12 ILE 9 0.120 3.205 2.165 68 HG21 ILE 9 HG21 ILE 9 -0.561 -0.410 2.374 69 HG22 ILE 9 HG22 ILE 9 -0.285 1.065 3.300 70 HG23 ILE 9 HG23 ILE 9 1.071 0.236 2.537 71 HD11 ILE 9 HD11 ILE 9 2.468 2.066 0.667 72 HD12 ILE 9 HD12 ILE 9 2.237 2.027 2.415 73 HD13 ILE 9 HD13 ILE 9 2.448 3.571 1.587 74 H LEU 10 HN LEU 10 -0.049 -0.419 -2.267 75 HA LEU 10 HA LEU 10 -2.457 -1.519 -2.395 76 HB2 LEU 10 HB2 LEU 10 -0.726 -1.523 -4.147 77 HB3 LEU 10 HB1 LEU 10 -0.011 -2.925 -3.391 78 HG LEU 10 HG LEU 10 -1.892 -4.290 -3.943 79 HD11 LEU 10 HD11 LEU 10 -3.503 -2.261 -3.552 80 HD12 LEU 10 HD12 LEU 10 -3.954 -3.556 -4.657 81 HD13 LEU 10 HD13 LEU 10 -3.314 -2.039 -5.289 82 HD21 LEU 10 HD21 LEU 10 -1.109 -2.469 -6.189 83 HD22 LEU 10 HD22 LEU 10 -1.966 -3.994 -6.413 84 HD23 LEU 10 HD23 LEU 10 -0.334 -3.987 -5.740 85 H GLY 11 HN GLY 11 -3.241 -3.682 -2.387 86 HA2 GLY 11 HA1 GLY 11 -3.413 -4.854 0.058 87 HA3 GLY 11 HA2 GLY 11 -3.700 -5.682 -1.463 88 H GLY 12 HN GLY 12 -0.823 -5.260 -2.252 89 HA2 GLY 12 HA2 GLY 12 0.685 -6.742 -0.290 90 HA3 GLY 12 HA1 GLY 12 0.233 -7.700 -1.689 91 H VAL 13 HN VAL 13 0.908 -4.298 -2.076 92 HA VAL 13 HA VAL 13 2.995 -4.854 -3.927 93 HB VAL 13 HB VAL 13 1.500 -2.857 -4.072 94 HG11 VAL 13 HG11 VAL 13 2.287 -2.495 -1.476 95 HG12 VAL 13 HG12 VAL 13 1.407 -1.326 -2.460 96 HG13 VAL 13 HG13 VAL 13 3.166 -1.233 -2.335 97 HG21 VAL 13 HG21 VAL 13 3.215 -1.345 -4.898 98 HG22 VAL 13 HG22 VAL 13 3.581 -3.006 -5.366 99 HG23 VAL 13 HG23 VAL 13 4.455 -2.252 -4.032 100 H ASN 14 HN ASN 14 5.199 -3.928 -3.779 101 HA ASN 14 HA ASN 14 6.550 -4.880 -1.512 102 HB2 ASN 14 HB1 ASN 14 7.511 -2.944 -3.627 103 HB3 ASN 14 HB2 ASN 14 8.545 -3.795 -2.484 104 HD21 ASN 14 HD21 ASN 14 8.512 -3.867 -5.398 105 HD22 ASN 14 HD22 ASN 14 8.284 -5.523 -5.832 106 H LYS 15 HN LYS 15 4.720 -2.125 -1.810 107 HA LYS 15 HA LYS 15 4.389 -0.295 -0.510 108 HB2 LYS 15 HB1 LYS 15 6.219 -1.735 1.419 109 HB3 LYS 15 HB2 LYS 15 5.208 -0.350 1.812 110 HG2 LYS 15 HG2 LYS 15 3.210 -1.663 1.313 111 HG3 LYS 15 HG1 LYS 15 4.223 -3.052 0.916 112 HD2 LYS 15 HD2 LYS 15 5.097 -3.066 3.204 113 HD3 LYS 15 HD1 LYS 15 4.077 -1.682 3.601 114 HE2 LYS 15 HE2 LYS 15 2.083 -3.010 3.108 115 HE3 LYS 15 HE1 LYS 15 3.102 -4.393 2.712 116 HZ1 LYS 15 HZ1 LYS 15 3.919 -4.395 4.988 117 HZ2 LYS 15 HZ2 LYS 15 2.235 -4.556 4.956 118 HZ3 LYS 15 HZ3 LYS 15 2.935 -3.072 5.367 119 H HIS 16 HN HIS 16 5.262 1.389 -1.556 120 HA HIS 16 HA HIS 16 8.143 1.889 -1.228 121 HB2 HIS 16 HB2 HIS 16 6.262 2.984 -3.328 122 HB3 HIS 16 HB1 HIS 16 7.998 3.266 -3.244 123 HD1 HIS 16 HD1 HIS 16 5.515 0.495 -3.900 124 HD2 HIS 16 HD2 HIS 16 9.555 1.328 -4.410 125 HE1 HIS 16 HE1 HIS 16 6.415 -1.379 -5.314 126 HE2 HIS 16 HE2 HIS 16 8.861 -0.856 -5.612 127 H SER 17 HN SER 17 8.633 4.348 -1.401 128 HA SER 17 HA SER 17 7.285 5.601 0.808 129 HB2 SER 17 HB1 SER 17 9.716 5.816 0.550 130 HB3 SER 17 HB2 SER 17 9.488 6.641 -0.992 131 HG SER 17 HG SER 17 8.655 8.378 0.049 132 H THR 18 HN THR 18 6.675 7.971 0.623 133 HA THR 18 HA THR 18 4.898 8.265 -1.682 134 HB THR 18 HB THR 18 3.757 9.993 -0.387 135 HG1 THR 18 HG1 THR 18 4.954 10.981 1.054 136 HG21 THR 18 HG21 THR 18 3.237 7.560 -0.046 137 HG22 THR 18 HG22 THR 18 2.808 8.604 1.310 138 HG23 THR 18 HG23 THR 18 4.261 7.608 1.389 139 H SER 19 HN SER 19 7.945 9.000 -1.172 140 HA SER 19 HA SER 19 7.917 11.800 -1.927 141 HB2 SER 19 HB2 SER 19 10.223 9.879 -1.560 142 HB3 SER 19 HB1 SER 19 10.378 11.615 -1.826 143 HG SER 19 HG SER 19 10.391 11.545 0.308 144 H ILE 20 HN ILE 20 7.113 9.303 -3.601 145 HA ILE 20 HA ILE 20 8.724 9.918 -5.985 146 HB ILE 20 HB ILE 20 7.882 7.784 -6.897 147 HG12 ILE 20 HG12 ILE 20 6.658 7.456 -4.148 148 HG13 ILE 20 HG11 ILE 20 5.764 7.696 -5.646 149 HG21 ILE 20 HG21 ILE 20 9.179 7.518 -4.189 150 HG22 ILE 20 HG22 ILE 20 10.017 7.886 -5.696 151 HG23 ILE 20 HG23 ILE 20 9.225 6.325 -5.487 152 HD11 ILE 20 HD11 ILE 20 5.720 5.373 -4.985 153 HD12 ILE 20 HD12 ILE 20 7.482 5.321 -4.971 154 HD13 ILE 20 HD13 ILE 20 6.619 5.566 -6.490 155 H GLY 21 HN GLY 21 7.172 9.144 -8.012 156 HA2 GLY 21 HA2 GLY 21 4.473 9.777 -8.018 157 HA3 GLY 21 HA1 GLY 21 5.330 11.289 -8.283 158 H LYS 22 HN LYS 22 3.804 8.868 -9.832 159 HA LYS 22 HA LYS 22 5.596 8.537 -12.068 160 HB2 LYS 22 HB2 LYS 22 2.749 7.661 -11.577 161 HB3 LYS 22 HB1 LYS 22 3.599 7.348 -13.083 162 HG2 LYS 22 HG1 LYS 22 3.775 5.384 -11.798 163 HG3 LYS 22 HG2 LYS 22 5.353 6.167 -11.716 164 HD2 LYS 22 HD2 LYS 22 4.814 7.071 -9.523 165 HD3 LYS 22 HD1 LYS 22 3.205 6.348 -9.605 166 HE2 LYS 22 HE1 LYS 22 4.717 5.003 -8.237 167 HE3 LYS 22 HE2 LYS 22 4.193 4.124 -9.674 168 HZ1 LYS 22 HZ1 LYS 22 6.293 4.647 -10.729 169 HZ2 LYS 22 HZ2 LYS 22 6.562 3.850 -9.262 170 HZ3 LYS 22 HZ3 LYS 22 6.796 5.521 -9.371 Start of MODEL 8 1 H1 ACE 0 HA1 ACE 0 -14.044 1.479 -4.178 2 H2 ACE 0 HA2 ACE 0 -15.040 2.818 -3.614 3 H3 ACE 0 HA3 ACE 0 -15.383 1.192 -3.027 4 H MET 1 HN MET 1 -12.111 2.248 -3.446 5 HA MET 1 HA MET 1 -11.806 2.325 -0.527 6 HB2 MET 1 HB1 MET 1 -10.628 0.468 -1.645 7 HB3 MET 1 HB2 MET 1 -9.725 1.649 -2.593 8 HG2 MET 1 HG1 MET 1 -8.689 0.584 -0.453 9 HG3 MET 1 HG2 MET 1 -8.417 2.291 -0.831 10 HE1 MET 1 HE1 MET 1 -8.632 2.249 3.093 11 HE2 MET 1 HE2 MET 1 -7.673 2.726 1.691 12 HE3 MET 1 HE3 MET 1 -7.918 1.018 2.051 13 H ASP 2 HN ASP 2 -12.222 4.452 -2.831 14 HA ASP 2 HA ASP 2 -11.596 6.654 -3.095 15 HB2 ASP 2 HB2 ASP 2 -10.914 5.962 -0.294 16 HB3 ASP 2 HB1 ASP 2 -10.107 7.361 -0.952 17 H TRP 3 HN TRP 3 -10.003 4.183 -3.521 18 HA TRP 3 HA TRP 3 -7.535 3.991 -3.179 19 HB2 TRP 3 HB1 TRP 3 -9.128 3.571 -5.532 20 HB3 TRP 3 HB2 TRP 3 -7.387 3.520 -5.751 21 HD1 TRP 3 HD1 TRP 3 -9.519 1.140 -5.717 22 HE1 TRP 3 HE1 TRP 3 -8.980 -0.986 -4.355 23 HE3 TRP 3 HE3 TRP 3 -6.315 3.211 -2.450 24 HZ2 TRP 3 HZ2 TRP 3 -7.358 -1.613 -2.108 25 HZ3 TRP 3 HZ3 TRP 3 -5.325 1.825 -0.702 26 HH2 TRP 3 HH2 TRP 3 -5.829 -0.533 -0.535 27 H GLY 4 HN GLY 4 -5.855 4.371 -3.781 28 HA2 GLY 4 HA2 GLY 4 -4.345 5.842 -5.211 29 HA3 GLY 4 HA1 GLY 4 -5.123 7.146 -4.296 30 H THR 5 HN THR 5 -5.396 4.664 -2.425 31 HA THR 5 HA THR 5 -3.026 5.126 -0.835 32 HB THR 5 HB THR 5 -5.853 4.485 -0.300 33 HG1 THR 5 HG1 THR 5 -3.819 5.936 1.071 34 HG21 THR 5 HG21 THR 5 -4.385 2.527 0.548 35 HG22 THR 5 HG22 THR 5 -5.566 3.245 1.645 36 HG23 THR 5 HG23 THR 5 -3.858 3.668 1.785 37 H LEU 6 HN LEU 6 -4.157 3.090 -3.101 38 HA LEU 6 HA LEU 6 -3.328 0.592 -1.980 39 HB2 LEU 6 HB1 LEU 6 -3.796 -0.347 -4.215 40 HB3 LEU 6 HB2 LEU 6 -5.136 0.484 -3.474 41 HG LEU 6 HG LEU 6 -3.531 1.479 -5.802 42 HD11 LEU 6 HD11 LEU 6 -6.453 0.925 -5.563 43 HD12 LEU 6 HD12 LEU 6 -5.307 -0.345 -6.035 44 HD13 LEU 6 HD13 LEU 6 -5.495 1.096 -7.043 45 HD21 LEU 6 HD21 LEU 6 -5.836 2.764 -4.395 46 HD22 LEU 6 HD22 LEU 6 -5.086 3.323 -5.900 47 HD23 LEU 6 HD23 LEU 6 -4.168 3.361 -4.395 48 H GLN 7 HN GLN 7 -2.279 1.669 -5.106 49 HA GLN 7 HA GLN 7 0.091 0.783 -5.524 50 HB2 GLN 7 HB1 GLN 7 0.769 3.474 -5.662 51 HB3 GLN 7 HB2 GLN 7 0.051 2.509 -6.951 52 HG2 GLN 7 HG1 GLN 7 -1.314 4.398 -6.748 53 HG3 GLN 7 HG2 GLN 7 -2.167 3.099 -5.903 54 HE21 GLN 7 HE21 GLN 7 -2.354 3.128 -3.730 55 HE22 GLN 7 HE22 GLN 7 -2.001 4.497 -2.759 56 H THR 8 HN THR 8 -0.551 2.914 -2.802 57 HA THR 8 HA THR 8 2.225 2.853 -1.927 58 HB THR 8 HB THR 8 1.209 5.027 -1.831 59 HG1 THR 8 HG1 THR 8 2.458 5.044 -0.093 60 HG21 THR 8 HG21 THR 8 -1.039 3.476 -0.945 61 HG22 THR 8 HG22 THR 8 -0.987 5.161 -1.493 62 HG23 THR 8 HG23 THR 8 -0.706 4.779 0.208 63 H ILE 9 HN ILE 9 -0.946 1.902 -0.895 64 HA ILE 9 HA ILE 9 0.223 0.204 1.169 65 HB ILE 9 HB ILE 9 -2.533 1.348 1.375 66 HG12 ILE 9 HG11 ILE 9 -0.949 3.225 1.335 67 HG13 ILE 9 HG12 ILE 9 -1.653 3.032 2.935 68 HG21 ILE 9 HG21 ILE 9 -2.165 -0.606 2.729 69 HG22 ILE 9 HG22 ILE 9 -2.237 0.807 3.780 70 HG23 ILE 9 HG23 ILE 9 -0.680 0.080 3.386 71 HD11 ILE 9 HD11 ILE 9 1.082 2.106 2.093 72 HD12 ILE 9 HD12 ILE 9 0.376 1.918 3.698 73 HD13 ILE 9 HD13 ILE 9 0.716 3.530 3.067 74 H LEU 10 HN LEU 10 -0.363 -0.258 -1.569 75 HA LEU 10 HA LEU 10 -2.578 -1.454 -2.421 76 HB2 LEU 10 HB2 LEU 10 -0.436 -1.225 -3.629 77 HB3 LEU 10 HB1 LEU 10 0.135 -2.658 -2.810 78 HG LEU 10 HG LEU 10 -1.440 -4.043 -3.954 79 HD11 LEU 10 HD11 LEU 10 -3.230 -2.145 -3.867 80 HD12 LEU 10 HD12 LEU 10 -3.267 -3.328 -5.172 81 HD13 LEU 10 HD13 LEU 10 -2.585 -1.726 -5.452 82 HD21 LEU 10 HD21 LEU 10 -0.194 -2.003 -5.761 83 HD22 LEU 10 HD22 LEU 10 -0.866 -3.535 -6.322 84 HD23 LEU 10 HD23 LEU 10 0.521 -3.524 -5.231 85 H GLY 11 HN GLY 11 -3.150 -3.672 -2.785 86 HA2 GLY 11 HA1 GLY 11 -3.890 -5.054 -0.565 87 HA3 GLY 11 HA2 GLY 11 -3.659 -5.774 -2.150 88 H GLY 12 HN GLY 12 -0.741 -5.028 -2.037 89 HA2 GLY 12 HA2 GLY 12 0.438 -6.359 0.170 90 HA3 GLY 12 HA1 GLY 12 0.288 -7.467 -1.184 91 H VAL 13 HN VAL 13 0.877 -4.021 -1.580 92 HA VAL 13 HA VAL 13 3.087 -4.433 -3.255 93 HB VAL 13 HB VAL 13 1.801 -2.385 -3.396 94 HG11 VAL 13 HG11 VAL 13 1.701 -2.420 -0.763 95 HG12 VAL 13 HG12 VAL 13 1.464 -0.936 -1.684 96 HG13 VAL 13 HG13 VAL 13 3.029 -1.277 -0.941 97 HG21 VAL 13 HG21 VAL 13 4.653 -1.844 -2.571 98 HG22 VAL 13 HG22 VAL 13 3.629 -0.771 -3.527 99 HG23 VAL 13 HG23 VAL 13 4.118 -2.336 -4.178 100 H ASN 14 HN ASN 14 5.275 -4.348 -2.948 101 HA ASN 14 HA ASN 14 6.240 -4.030 -0.189 102 HB2 ASN 14 HB1 ASN 14 6.055 -6.451 -0.792 103 HB3 ASN 14 HB2 ASN 14 7.196 -6.169 -2.103 104 HD21 ASN 14 HD21 ASN 14 8.834 -5.393 1.534 105 HD22 ASN 14 HD22 ASN 14 7.397 -4.593 1.006 106 H LYS 15 HN LYS 15 6.238 -2.573 -2.945 107 HA LYS 15 HA LYS 15 8.823 -1.390 -2.605 108 HB2 LYS 15 HB2 LYS 15 9.643 -1.871 -4.891 109 HB3 LYS 15 HB1 LYS 15 9.531 -3.313 -3.891 110 HG2 LYS 15 HG2 LYS 15 7.407 -3.887 -4.975 111 HG3 LYS 15 HG1 LYS 15 7.560 -2.459 -6.001 112 HD2 LYS 15 HD2 LYS 15 9.649 -3.344 -6.922 113 HD3 LYS 15 HD1 LYS 15 9.492 -4.774 -5.898 114 HE2 LYS 15 HE2 LYS 15 7.386 -5.336 -7.018 115 HE3 LYS 15 HE1 LYS 15 7.559 -3.915 -8.048 116 HZ1 LYS 15 HZ1 LYS 15 9.428 -6.222 -7.956 117 HZ2 LYS 15 HZ2 LYS 15 9.600 -4.857 -8.940 118 HZ3 LYS 15 HZ3 LYS 15 8.299 -5.911 -9.178 119 H HIS 16 HN HIS 16 8.826 0.673 -3.302 120 HA HIS 16 HA HIS 16 7.260 1.628 -5.471 121 HB2 HIS 16 HB2 HIS 16 5.788 3.133 -4.085 122 HB3 HIS 16 HB1 HIS 16 5.383 1.422 -4.003 123 HD1 HIS 16 HD1 HIS 16 5.512 0.292 -1.741 124 HD2 HIS 16 HD2 HIS 16 6.979 4.180 -1.708 125 HE1 HIS 16 HE1 HIS 16 5.849 0.862 0.684 126 HE2 HIS 16 HE2 HIS 16 6.738 3.221 0.682 127 H SER 17 HN SER 17 7.810 3.717 -6.061 128 HA SER 17 HA SER 17 9.498 5.288 -4.282 129 HB2 SER 17 HB1 SER 17 11.259 5.553 -6.000 130 HB3 SER 17 HB2 SER 17 11.109 3.879 -5.463 131 HG SER 17 HG SER 17 10.348 3.313 -7.373 132 H THR 18 HN THR 18 8.386 7.124 -4.248 133 HA THR 18 HA THR 18 7.216 8.965 -4.898 134 HB THR 18 HB THR 18 8.080 10.200 -6.802 135 HG1 THR 18 HG1 THR 18 9.922 8.253 -7.522 136 HG21 THR 18 HG21 THR 18 9.423 10.198 -4.763 137 HG22 THR 18 HG22 THR 18 10.455 10.283 -6.190 138 HG23 THR 18 HG23 THR 18 10.281 8.761 -5.318 139 H SER 19 HN SER 19 6.267 9.961 -7.230 140 HA SER 19 HA SER 19 4.514 9.835 -8.667 141 HB2 SER 19 HB1 SER 19 6.026 8.326 -9.902 142 HB3 SER 19 HB2 SER 19 5.398 6.960 -8.980 143 HG SER 19 HG SER 19 3.684 6.931 -10.202 144 H ILE 20 HN ILE 20 4.414 8.713 -5.770 145 HA ILE 20 HA ILE 20 1.708 7.577 -6.012 146 HB ILE 20 HB ILE 20 2.156 6.352 -3.895 147 HG12 ILE 20 HG12 ILE 20 5.015 7.205 -4.406 148 HG13 ILE 20 HG11 ILE 20 4.000 7.774 -3.086 149 HG21 ILE 20 HG21 ILE 20 3.999 5.702 -6.190 150 HG22 ILE 20 HG22 ILE 20 2.307 5.224 -6.046 151 HG23 ILE 20 HG23 ILE 20 3.504 4.583 -4.921 152 HD11 ILE 20 HD11 ILE 20 4.919 4.941 -3.501 153 HD12 ILE 20 HD12 ILE 20 3.902 5.515 -2.180 154 HD13 ILE 20 HD13 ILE 20 5.563 6.088 -2.326 155 H GLY 21 HN GLY 21 2.894 10.356 -5.516 156 HA2 GLY 21 HA1 GLY 21 1.111 10.986 -3.274 157 HA3 GLY 21 HA2 GLY 21 2.782 11.521 -3.181 158 H LYS 22 HN LYS 22 0.797 13.370 -3.028 159 HA LYS 22 HA LYS 22 0.426 14.532 -5.671 160 HB2 LYS 22 HB1 LYS 22 -0.578 15.314 -2.933 161 HB3 LYS 22 HB2 LYS 22 -0.859 16.287 -4.371 162 HG2 LYS 22 HG1 LYS 22 -2.807 15.006 -4.040 163 HG3 LYS 22 HG2 LYS 22 -1.953 14.261 -5.391 164 HD2 LYS 22 HD2 LYS 22 -1.069 12.544 -3.917 165 HD3 LYS 22 HD1 LYS 22 -1.844 13.310 -2.529 166 HE2 LYS 22 HE2 LYS 22 -3.260 12.141 -4.922 167 HE3 LYS 22 HE1 LYS 22 -3.125 11.386 -3.334 168 HZ1 LYS 22 HZ1 LYS 22 -4.358 13.234 -2.387 169 HZ2 LYS 22 HZ2 LYS 22 -5.255 12.487 -3.611 170 HZ3 LYS 22 HZ3 LYS 22 -4.484 13.963 -3.909 Start of MODEL 9 1 H1 ACE 0 HA1 ACE 0 -13.446 -0.565 -0.625 2 H2 ACE 0 HA2 ACE 0 -14.385 -0.307 0.844 3 H3 ACE 0 HA3 ACE 0 -13.728 -1.910 0.521 4 H MET 1 HN MET 1 -11.879 0.929 -0.202 5 HA MET 1 HA MET 1 -10.374 0.746 2.277 6 HB2 MET 1 HB1 MET 1 -9.311 -0.877 0.755 7 HB3 MET 1 HB2 MET 1 -9.049 0.426 -0.404 8 HG2 MET 1 HG1 MET 1 -7.143 -0.330 1.201 9 HG3 MET 1 HG2 MET 1 -7.368 1.383 0.816 10 HE1 MET 1 HE1 MET 1 -5.898 2.047 2.938 11 HE2 MET 1 HE2 MET 1 -5.654 0.337 3.296 12 HE3 MET 1 HE3 MET 1 -6.193 1.436 4.566 13 H ASP 2 HN ASP 2 -11.980 2.663 0.340 14 HA ASP 2 HA ASP 2 -11.938 4.934 -0.043 15 HB2 ASP 2 HB2 ASP 2 -10.203 4.493 2.320 16 HB3 ASP 2 HB1 ASP 2 -9.978 6.003 1.477 17 H TRP 3 HN TRP 3 -10.132 2.821 -1.086 18 HA TRP 3 HA TRP 3 -7.712 3.142 -1.627 19 HB2 TRP 3 HB1 TRP 3 -9.903 2.325 -3.297 20 HB3 TRP 3 HB2 TRP 3 -8.373 2.617 -4.106 21 HD1 TRP 3 HD1 TRP 3 -9.838 -0.140 -3.423 22 HE1 TRP 3 HE1 TRP 3 -8.448 -2.063 -2.410 23 HE3 TRP 3 HE3 TRP 3 -6.185 2.647 -1.393 24 HZ2 TRP 3 HZ2 TRP 3 -6.058 -2.273 -0.887 25 HZ3 TRP 3 HZ3 TRP 3 -4.395 1.550 -0.148 26 HH2 TRP 3 HH2 TRP 3 -4.329 -0.854 0.097 27 H GLY 4 HN GLY 4 -6.461 3.828 -2.772 28 HA2 GLY 4 HA2 GLY 4 -5.871 5.520 -4.578 29 HA3 GLY 4 HA1 GLY 4 -6.532 6.674 -3.408 30 H THR 5 HN THR 5 -5.630 4.257 -1.650 31 HA THR 5 HA THR 5 -3.004 5.248 -0.959 32 HB THR 5 HB THR 5 -5.280 4.062 0.493 33 HG1 THR 5 HG1 THR 5 -4.997 6.090 1.101 34 HG21 THR 5 HG21 THR 5 -3.249 2.483 0.726 35 HG22 THR 5 HG22 THR 5 -4.084 3.006 2.190 36 HG23 THR 5 HG23 THR 5 -2.561 3.764 1.725 37 H LEU 6 HN LEU 6 -4.404 2.954 -2.774 38 HA LEU 6 HA LEU 6 -2.754 0.718 -2.092 39 HB2 LEU 6 HB1 LEU 6 -3.773 -0.392 -4.046 40 HB3 LEU 6 HB2 LEU 6 -4.909 0.185 -2.857 41 HG LEU 6 HG LEU 6 -4.450 1.384 -5.567 42 HD11 LEU 6 HD11 LEU 6 -6.932 0.266 -4.347 43 HD12 LEU 6 HD12 LEU 6 -5.789 -0.769 -5.224 44 HD13 LEU 6 HD13 LEU 6 -6.599 0.561 -6.060 45 HD21 LEU 6 HD21 LEU 6 -6.332 2.234 -3.401 46 HD22 LEU 6 HD22 LEU 6 -6.286 2.869 -5.055 47 HD23 LEU 6 HD23 LEU 6 -4.928 3.156 -3.969 48 H GLN 7 HN GLN 7 -3.118 1.978 -5.305 49 HA GLN 7 HA GLN 7 -0.893 1.495 -6.517 50 HB2 GLN 7 HB1 GLN 7 -0.887 4.228 -6.931 51 HB3 GLN 7 HB2 GLN 7 -1.816 3.052 -7.857 52 HG2 GLN 7 HG1 GLN 7 -3.302 4.761 -7.162 53 HG3 GLN 7 HG2 GLN 7 -3.625 3.338 -6.164 54 HE21 GLN 7 HE21 GLN 7 -3.049 3.334 -4.030 55 HE22 GLN 7 HE22 GLN 7 -2.630 4.755 -3.164 56 H THR 8 HN THR 8 -1.034 3.536 -3.684 57 HA THR 8 HA THR 8 1.803 4.152 -3.842 58 HB THR 8 HB THR 8 0.309 5.997 -3.235 59 HG1 THR 8 HG1 THR 8 1.735 6.743 -1.804 60 HG21 THR 8 HG21 THR 8 -0.891 4.022 -1.656 61 HG22 THR 8 HG22 THR 8 -1.343 5.730 -1.771 62 HG23 THR 8 HG23 THR 8 -0.210 5.199 -0.526 63 H ILE 9 HN ILE 9 -0.475 2.399 -1.902 64 HA ILE 9 HA ILE 9 1.724 1.237 -0.389 65 HB ILE 9 HB ILE 9 -1.162 1.306 0.436 66 HG12 ILE 9 HG11 ILE 9 -0.133 3.529 0.555 67 HG13 ILE 9 HG12 ILE 9 -0.433 2.894 2.167 68 HG21 ILE 9 HG21 ILE 9 1.279 0.327 1.906 69 HG22 ILE 9 HG22 ILE 9 -0.031 -0.667 1.268 70 HG23 ILE 9 HG23 ILE 9 -0.341 0.460 2.590 71 HD11 ILE 9 HD11 ILE 9 1.717 4.009 2.041 72 HD12 ILE 9 HD12 ILE 9 2.221 2.916 0.753 73 HD13 ILE 9 HD13 ILE 9 1.918 2.288 2.373 74 H LEU 10 HN LEU 10 -1.232 0.637 -2.000 75 HA LEU 10 HA LEU 10 -2.263 -1.146 -2.905 76 HB2 LEU 10 HB2 LEU 10 -0.368 -0.679 -4.404 77 HB3 LEU 10 HB1 LEU 10 0.530 -1.958 -3.612 78 HG LEU 10 HG LEU 10 -0.964 -3.630 -4.460 79 HD11 LEU 10 HD11 LEU 10 -2.996 -2.029 -4.187 80 HD12 LEU 10 HD12 LEU 10 -3.021 -3.247 -5.460 81 HD13 LEU 10 HD13 LEU 10 -2.635 -1.571 -5.850 82 HD21 LEU 10 HD21 LEU 10 -0.290 -1.550 -6.510 83 HD22 LEU 10 HD22 LEU 10 -0.805 -3.190 -6.907 84 HD23 LEU 10 HD23 LEU 10 0.704 -2.925 -6.030 85 H GLY 11 HN GLY 11 -2.380 -3.508 -3.160 86 HA2 GLY 11 HA1 GLY 11 -2.684 -4.775 -0.738 87 HA3 GLY 11 HA2 GLY 11 -2.568 -5.572 -2.298 88 H GLY 12 HN GLY 12 0.195 -4.403 -2.636 89 HA2 GLY 12 HA2 GLY 12 1.904 -5.273 -0.603 90 HA3 GLY 12 HA1 GLY 12 1.644 -6.630 -1.687 91 H VAL 13 HN VAL 13 1.743 -3.261 -2.723 92 HA VAL 13 HA VAL 13 3.746 -3.850 -4.659 93 HB VAL 13 HB VAL 13 1.921 -2.115 -4.907 94 HG11 VAL 13 HG11 VAL 13 2.996 -1.174 -2.584 95 HG12 VAL 13 HG12 VAL 13 1.870 -0.295 -3.620 96 HG13 VAL 13 HG13 VAL 13 3.610 -0.031 -3.779 97 HG21 VAL 13 HG21 VAL 13 3.803 -2.315 -6.476 98 HG22 VAL 13 HG22 VAL 13 4.743 -1.210 -5.472 99 HG23 VAL 13 HG23 VAL 13 3.281 -0.642 -6.277 100 H ASN 14 HN ASN 14 4.090 -3.612 -1.498 101 HA ASN 14 HA ASN 14 6.827 -2.572 -1.712 102 HB2 ASN 14 HB1 ASN 14 4.867 -1.901 0.493 103 HB3 ASN 14 HB2 ASN 14 6.576 -1.476 0.497 104 HD21 ASN 14 HD21 ASN 14 4.336 1.293 -0.775 105 HD22 ASN 14 HD22 ASN 14 4.191 0.217 0.570 106 H LYS 15 HN LYS 15 5.182 -5.214 -1.306 107 HA LYS 15 HA LYS 15 5.478 -7.215 -0.273 108 HB2 LYS 15 HB1 LYS 15 8.211 -6.075 0.336 109 HB3 LYS 15 HB2 LYS 15 7.762 -7.768 0.475 110 HG2 LYS 15 HG2 LYS 15 7.338 -7.863 -1.924 111 HG3 LYS 15 HG1 LYS 15 7.768 -6.157 -2.070 112 HD2 LYS 15 HD1 LYS 15 10.025 -6.658 -1.267 113 HD3 LYS 15 HD2 LYS 15 9.594 -8.364 -1.123 114 HE2 LYS 15 HE2 LYS 15 9.176 -8.466 -3.528 115 HE3 LYS 15 HE1 LYS 15 9.593 -6.759 -3.676 116 HZ1 LYS 15 HZ1 LYS 15 11.426 -8.912 -2.768 117 HZ2 LYS 15 HZ2 LYS 15 11.826 -7.276 -2.912 118 HZ3 LYS 15 HZ3 LYS 15 11.444 -8.177 -4.292 119 H HIS 16 HN HIS 16 3.934 -6.925 1.330 120 HA HIS 16 HA HIS 16 4.774 -5.797 3.884 121 HB2 HIS 16 HB2 HIS 16 2.115 -6.636 2.754 122 HB3 HIS 16 HB1 HIS 16 2.316 -6.304 4.471 123 HD1 HIS 16 HD1 HIS 16 3.034 -4.499 1.189 124 HD2 HIS 16 HD2 HIS 16 1.814 -3.729 5.086 125 HE1 HIS 16 HE1 HIS 16 2.551 -2.033 1.268 126 HE2 HIS 16 HE2 HIS 16 1.815 -1.587 3.635 127 H SER 17 HN SER 17 5.979 -7.198 5.021 128 HA SER 17 HA SER 17 5.092 -9.988 5.227 129 HB2 SER 17 HB2 SER 17 7.431 -9.672 4.563 130 HB3 SER 17 HB1 SER 17 7.725 -8.713 6.013 131 HG SER 17 HG SER 17 7.055 -10.651 7.197 132 H THR 18 HN THR 18 5.737 -7.096 7.088 133 HA THR 18 HA THR 18 4.403 -8.336 9.394 134 HB THR 18 HB THR 18 5.923 -7.133 10.927 135 HG1 THR 18 HG1 THR 18 6.721 -5.970 8.642 136 HG21 THR 18 HG21 THR 18 7.310 -8.990 8.992 137 HG22 THR 18 HG22 THR 18 6.382 -9.467 10.413 138 HG23 THR 18 HG23 THR 18 7.892 -8.577 10.604 139 H SER 19 HN SER 19 3.297 -6.858 10.784 140 HA SER 19 HA SER 19 1.819 -4.904 9.509 141 HB2 SER 19 HB2 SER 19 1.277 -4.065 11.807 142 HB3 SER 19 HB1 SER 19 1.036 -5.800 11.594 143 HG SER 19 HG SER 19 2.152 -5.626 13.461 144 H ILE 20 HN ILE 20 2.112 -2.830 8.995 145 HA ILE 20 HA ILE 20 4.218 -1.284 10.279 146 HB ILE 20 HB ILE 20 5.040 -0.551 8.006 147 HG12 ILE 20 HG11 ILE 20 4.699 -2.569 6.323 148 HG13 ILE 20 HG12 ILE 20 3.210 -2.784 7.241 149 HG21 ILE 20 HG21 ILE 20 5.458 -3.382 8.944 150 HG22 ILE 20 HG22 ILE 20 6.414 -1.956 9.359 151 HG23 ILE 20 HG23 ILE 20 6.457 -2.599 7.717 152 HD11 ILE 20 HD11 ILE 20 2.936 -1.435 5.193 153 HD12 ILE 20 HD12 ILE 20 4.014 -0.223 5.886 154 HD13 ILE 20 HD13 ILE 20 2.473 -0.580 6.665 155 H GLY 21 HN GLY 21 4.232 1.017 9.239 156 HA2 GLY 21 HA2 GLY 21 1.866 1.976 8.005 157 HA3 GLY 21 HA1 GLY 21 1.781 2.227 9.742 158 H LYS 22 HN LYS 22 1.900 4.433 9.740 159 HA LYS 22 HA LYS 22 4.511 5.570 9.441 160 HB2 LYS 22 HB2 LYS 22 3.688 7.367 7.832 161 HB3 LYS 22 HB1 LYS 22 4.008 5.779 7.149 162 HG2 LYS 22 HG1 LYS 22 1.577 5.287 7.299 163 HG3 LYS 22 HG2 LYS 22 1.320 6.953 7.819 164 HD2 LYS 22 HD1 LYS 22 2.316 7.753 5.724 165 HD3 LYS 22 HD2 LYS 22 2.543 6.081 5.203 166 HE2 LYS 22 HE1 LYS 22 0.120 5.728 5.301 167 HE3 LYS 22 HE2 LYS 22 -0.100 7.403 5.805 168 HZ1 LYS 22 HZ1 LYS 22 0.845 8.126 3.703 169 HZ2 LYS 22 HZ2 LYS 22 -0.498 7.130 3.439 170 HZ3 LYS 22 HZ3 LYS 22 1.065 6.519 3.220 Start of MODEL 10 1 H1 ACE 0 HA1 ACE 0 -13.779 -0.354 1.146 2 H2 ACE 0 HA2 ACE 0 -13.969 1.193 0.323 3 H3 ACE 0 HA3 ACE 0 -14.689 0.979 1.917 4 H MET 1 HN MET 1 -11.536 0.769 0.282 5 HA MET 1 HA MET 1 -10.191 1.466 2.758 6 HB2 MET 1 HB1 MET 1 -9.271 -0.321 1.328 7 HB3 MET 1 HB2 MET 1 -9.022 0.869 0.051 8 HG2 MET 1 HG1 MET 1 -7.061 0.172 1.609 9 HG3 MET 1 HG2 MET 1 -7.248 1.858 1.106 10 HE1 MET 1 HE1 MET 1 -9.288 -0.226 3.786 11 HE2 MET 1 HE2 MET 1 -8.411 0.181 5.261 12 HE3 MET 1 HE3 MET 1 -7.623 -0.766 4.000 13 H ASP 2 HN ASP 2 -11.821 3.283 0.746 14 HA ASP 2 HA ASP 2 -11.713 5.511 0.171 15 HB2 ASP 2 HB2 ASP 2 -9.877 5.194 2.478 16 HB3 ASP 2 HB1 ASP 2 -9.636 6.618 1.499 17 H TRP 3 HN TRP 3 -10.045 3.245 -0.776 18 HA TRP 3 HA TRP 3 -7.646 3.416 -1.457 19 HB2 TRP 3 HB1 TRP 3 -9.950 2.558 -2.943 20 HB3 TRP 3 HB2 TRP 3 -8.455 2.718 -3.849 21 HD1 TRP 3 HD1 TRP 3 -9.985 0.090 -2.865 22 HE1 TRP 3 HE1 TRP 3 -8.616 -1.801 -1.765 23 HE3 TRP 3 HE3 TRP 3 -6.129 2.879 -1.259 24 HZ2 TRP 3 HZ2 TRP 3 -6.159 -1.984 -0.350 25 HZ3 TRP 3 HZ3 TRP 3 -4.319 1.815 -0.016 26 HH2 TRP 3 HH2 TRP 3 -4.327 -0.561 0.426 27 H GLY 4 HN GLY 4 -6.429 3.952 -2.713 28 HA2 GLY 4 HA2 GLY 4 -5.868 5.461 -4.685 29 HA3 GLY 4 HA1 GLY 4 -6.418 6.735 -3.583 30 H THR 5 HN THR 5 -5.526 4.440 -1.669 31 HA THR 5 HA THR 5 -2.828 5.365 -1.196 32 HB THR 5 HB THR 5 -5.071 4.412 0.462 33 HG1 THR 5 HG1 THR 5 -2.905 6.139 1.114 34 HG21 THR 5 HG21 THR 5 -3.097 2.761 0.721 35 HG22 THR 5 HG22 THR 5 -3.840 3.431 2.174 36 HG23 THR 5 HG23 THR 5 -2.309 4.082 1.584 37 H LEU 6 HN LEU 6 -4.416 2.982 -2.731 38 HA LEU 6 HA LEU 6 -2.824 0.739 -1.946 39 HB2 LEU 6 HB1 LEU 6 -3.977 -0.469 -3.766 40 HB3 LEU 6 HB2 LEU 6 -5.030 0.243 -2.575 41 HG LEU 6 HG LEU 6 -4.660 1.210 -5.388 42 HD11 LEU 6 HD11 LEU 6 -7.119 0.299 -3.964 43 HD12 LEU 6 HD12 LEU 6 -6.065 -0.847 -4.815 44 HD13 LEU 6 HD13 LEU 6 -6.865 0.451 -5.711 45 HD21 LEU 6 HD21 LEU 6 -6.394 2.310 -3.214 46 HD22 LEU 6 HD22 LEU 6 -6.403 2.811 -4.913 47 HD23 LEU 6 HD23 LEU 6 -4.983 3.121 -3.916 48 H GLN 7 HN GLN 7 -3.278 1.628 -5.267 49 HA GLN 7 HA GLN 7 -1.156 1.019 -6.574 50 HB2 GLN 7 HB1 GLN 7 -1.031 3.750 -7.077 51 HB3 GLN 7 HB2 GLN 7 -2.029 2.574 -7.930 52 HG2 GLN 7 HG1 GLN 7 -3.492 4.275 -7.267 53 HG3 GLN 7 HG2 GLN 7 -3.722 2.966 -6.099 54 HE21 GLN 7 HE21 GLN 7 -3.043 3.190 -4.038 55 HE22 GLN 7 HE22 GLN 7 -2.564 4.685 -3.347 56 H THR 8 HN THR 8 -1.008 3.305 -3.909 57 HA THR 8 HA THR 8 1.860 3.695 -4.228 58 HB THR 8 HB THR 8 0.637 5.720 -3.821 59 HG1 THR 8 HG1 THR 8 1.645 5.473 -1.274 60 HG21 THR 8 HG21 THR 8 -0.812 3.992 -2.040 61 HG22 THR 8 HG22 THR 8 -1.250 5.599 -2.648 62 HG23 THR 8 HG23 THR 8 -0.275 5.447 -1.184 63 H ILE 9 HN ILE 9 -0.457 2.465 -1.955 64 HA ILE 9 HA ILE 9 1.684 1.142 -0.479 65 HB ILE 9 HB ILE 9 -0.899 1.950 0.794 66 HG12 ILE 9 HG11 ILE 9 0.212 3.997 0.014 67 HG13 ILE 9 HG12 ILE 9 0.247 3.890 1.770 68 HG21 ILE 9 HG21 ILE 9 0.293 0.213 1.959 69 HG22 ILE 9 HG22 ILE 9 0.417 1.710 2.883 70 HG23 ILE 9 HG23 ILE 9 1.783 1.156 1.915 71 HD11 ILE 9 HD11 ILE 9 2.529 3.227 -0.074 72 HD12 ILE 9 HD12 ILE 9 2.561 3.142 1.687 73 HD13 ILE 9 HD13 ILE 9 2.358 4.698 0.881 74 H LEU 10 HN LEU 10 0.137 0.326 -2.709 75 HA LEU 10 HA LEU 10 -2.023 -1.202 -2.540 76 HB2 LEU 10 HB2 LEU 10 -0.593 -0.875 -4.515 77 HB3 LEU 10 HB1 LEU 10 0.472 -2.121 -3.910 78 HG LEU 10 HG LEU 10 -1.183 -3.812 -4.234 79 HD11 LEU 10 HD11 LEU 10 -3.068 -2.109 -3.567 80 HD12 LEU 10 HD12 LEU 10 -3.426 -3.478 -4.616 81 HD13 LEU 10 HD13 LEU 10 -3.179 -1.876 -5.310 82 HD21 LEU 10 HD21 LEU 10 -1.071 -1.868 -6.510 83 HD22 LEU 10 HD22 LEU 10 -1.669 -3.522 -6.661 84 HD23 LEU 10 HD23 LEU 10 0.016 -3.226 -6.220 85 H GLY 11 HN GLY 11 -2.409 -3.456 -2.474 86 HA2 GLY 11 HA1 GLY 11 -1.936 -4.649 -0.060 87 HA3 GLY 11 HA2 GLY 11 -2.406 -5.491 -1.527 88 H GLY 12 HN GLY 12 0.175 -4.593 -2.830 89 HA2 GLY 12 HA2 GLY 12 2.210 -5.948 -1.283 90 HA3 GLY 12 HA1 GLY 12 1.657 -6.848 -2.684 91 H VAL 13 HN VAL 13 1.816 -3.351 -2.774 92 HA VAL 13 HA VAL 13 3.682 -3.488 -4.950 93 HB VAL 13 HB VAL 13 1.814 -1.814 -4.826 94 HG11 VAL 13 HG11 VAL 13 2.828 -1.331 -2.357 95 HG12 VAL 13 HG12 VAL 13 1.697 -0.279 -3.208 96 HG13 VAL 13 HG13 VAL 13 3.432 0.051 -3.268 97 HG21 VAL 13 HG21 VAL 13 4.565 -0.633 -5.185 98 HG22 VAL 13 HG22 VAL 13 3.059 -0.034 -5.879 99 HG23 VAL 13 HG23 VAL 13 3.709 -1.590 -6.393 100 H ASN 14 HN ASN 14 4.251 -3.983 -1.907 101 HA ASN 14 HA ASN 14 7.002 -3.316 -2.030 102 HB2 ASN 14 HB1 ASN 14 6.123 -1.066 -1.517 103 HB3 ASN 14 HB2 ASN 14 5.340 -1.710 -0.077 104 HD21 ASN 14 HD21 ASN 14 8.229 -1.786 1.872 105 HD22 ASN 14 HD22 ASN 14 6.595 -2.313 1.690 106 H LYS 15 HN LYS 15 4.250 -4.641 -0.529 107 HA LYS 15 HA LYS 15 3.930 -6.265 1.024 108 HB2 LYS 15 HB1 LYS 15 6.859 -6.824 0.529 109 HB3 LYS 15 HB2 LYS 15 5.741 -7.904 1.351 110 HG2 LYS 15 HG2 LYS 15 4.418 -8.087 -0.701 111 HG3 LYS 15 HG1 LYS 15 5.557 -7.019 -1.523 112 HD2 LYS 15 HD2 LYS 15 6.290 -9.662 -0.264 113 HD3 LYS 15 HD1 LYS 15 5.946 -9.432 -1.980 114 HE2 LYS 15 HE1 LYS 15 7.801 -7.837 -2.131 115 HE3 LYS 15 HE2 LYS 15 8.150 -8.088 -0.422 116 HZ1 LYS 15 HZ1 LYS 15 9.610 -9.402 -1.820 117 HZ2 LYS 15 HZ2 LYS 15 8.283 -10.169 -2.537 118 HZ3 LYS 15 HZ3 LYS 15 8.615 -10.412 -0.896 119 H HIS 16 HN HIS 16 3.457 -5.134 2.843 120 HA HIS 16 HA HIS 16 5.691 -4.325 4.575 121 HB2 HIS 16 HB2 HIS 16 2.790 -3.473 4.675 122 HB3 HIS 16 HB1 HIS 16 4.078 -2.868 5.712 123 HD1 HIS 16 HD1 HIS 16 2.391 -2.224 2.559 124 HD2 HIS 16 HD2 HIS 16 6.108 -1.373 4.213 125 HE1 HIS 16 HE1 HIS 16 3.343 -0.367 1.155 126 HE2 HIS 16 HE2 HIS 16 5.592 0.133 2.175 127 H SER 17 HN SER 17 5.117 -4.462 6.983 128 HA SER 17 HA SER 17 4.418 -7.210 7.543 129 HB2 SER 17 HB2 SER 17 5.283 -4.972 9.392 130 HB3 SER 17 HB1 SER 17 5.095 -6.663 9.859 131 HG SER 17 HG SER 17 6.722 -7.171 8.318 132 H THR 18 HN THR 18 2.583 -4.628 6.980 133 HA THR 18 HA THR 18 0.799 -4.558 9.187 134 HB THR 18 HB THR 18 -0.722 -3.345 7.699 135 HG1 THR 18 HG1 THR 18 -0.597 -4.048 5.685 136 HG21 THR 18 HG21 THR 18 1.118 -2.115 8.733 137 HG22 THR 18 HG22 THR 18 0.758 -1.470 7.132 138 HG23 THR 18 HG23 THR 18 2.162 -2.511 7.368 139 H SER 19 HN SER 19 -1.087 -5.614 9.567 140 HA SER 19 HA SER 19 -1.508 -8.091 8.116 141 HB2 SER 19 HB1 SER 19 -1.538 -8.093 10.582 142 HB3 SER 19 HB2 SER 19 -2.906 -6.980 10.554 143 HG SER 19 HG SER 19 -4.191 -8.597 10.167 144 H ILE 20 HN ILE 20 -2.265 -5.203 7.285 145 HA ILE 20 HA ILE 20 -5.106 -5.673 6.715 146 HB ILE 20 HB ILE 20 -5.159 -3.258 6.084 147 HG12 ILE 20 HG11 ILE 20 -3.169 -1.949 7.155 148 HG13 ILE 20 HG12 ILE 20 -2.289 -3.458 6.952 149 HG21 ILE 20 HG21 ILE 20 -4.207 -3.896 8.872 150 HG22 ILE 20 HG22 ILE 20 -5.867 -4.018 8.285 151 HG23 ILE 20 HG23 ILE 20 -5.084 -2.441 8.394 152 HD11 ILE 20 HD11 ILE 20 -1.912 -1.875 5.118 153 HD12 ILE 20 HD12 ILE 20 -3.632 -1.936 4.733 154 HD13 ILE 20 HD13 ILE 20 -2.640 -3.383 4.567 155 H GLY 21 HN GLY 21 -5.782 -4.587 4.537 156 HA2 GLY 21 HA1 GLY 21 -5.482 -4.347 2.235 157 HA3 GLY 21 HA2 GLY 21 -3.819 -4.884 2.420 158 H LYS 22 HN LYS 22 -3.335 -7.080 2.344 159 HA LYS 22 HA LYS 22 -5.499 -8.750 1.255 160 HB2 LYS 22 HB1 LYS 22 -2.505 -8.998 0.904 161 HB3 LYS 22 HB2 LYS 22 -3.697 -10.091 0.217 162 HG2 LYS 22 HG1 LYS 22 -3.506 -7.148 -0.396 163 HG3 LYS 22 HG2 LYS 22 -2.845 -8.441 -1.400 164 HD2 LYS 22 HD1 LYS 22 -5.084 -9.359 -1.713 165 HD3 LYS 22 HD2 LYS 22 -5.756 -8.092 -0.683 166 HE2 LYS 22 HE1 LYS 22 -4.311 -7.663 -3.295 167 HE3 LYS 22 HE2 LYS 22 -6.057 -7.584 -3.059 168 HZ1 LYS 22 HZ1 LYS 22 -4.055 -5.804 -1.776 169 HZ2 LYS 22 HZ2 LYS 22 -5.728 -5.730 -1.542 170 HZ3 LYS 22 HZ3 LYS 22 -5.072 -5.384 -3.062 Start of MODEL 11 1 H1 ACE 0 HA1 ACE 0 -14.337 1.173 1.342 2 H2 ACE 0 HA2 ACE 0 -13.733 1.942 -0.124 3 H3 ACE 0 HA3 ACE 0 -14.568 2.927 1.076 4 H MET 1 HN MET 1 -11.621 2.237 -0.118 5 HA MET 1 HA MET 1 -10.252 2.577 2.451 6 HB2 MET 1 HB1 MET 1 -9.570 0.626 1.103 7 HB3 MET 1 HB2 MET 1 -9.092 1.724 -0.190 8 HG2 MET 1 HG1 MET 1 -7.326 0.778 1.474 9 HG3 MET 1 HG2 MET 1 -7.224 2.451 0.909 10 HE1 MET 1 HE1 MET 1 -5.961 2.643 4.631 11 HE2 MET 1 HE2 MET 1 -5.588 3.012 2.947 12 HE3 MET 1 HE3 MET 1 -5.689 1.335 3.480 13 H ASP 2 HN ASP 2 -11.515 4.551 0.327 14 HA ASP 2 HA ASP 2 -11.048 6.716 -0.306 15 HB2 ASP 2 HB2 ASP 2 -9.367 6.204 2.081 16 HB3 ASP 2 HB1 ASP 2 -8.876 7.540 1.073 17 H TRP 3 HN TRP 3 -9.714 4.193 -1.122 18 HA TRP 3 HA TRP 3 -7.293 3.977 -1.711 19 HB2 TRP 3 HB1 TRP 3 -9.647 3.429 -3.265 20 HB3 TRP 3 HB2 TRP 3 -8.114 3.328 -4.113 21 HD1 TRP 3 HD1 TRP 3 -10.062 0.998 -3.118 22 HE1 TRP 3 HE1 TRP 3 -9.037 -1.039 -1.910 23 HE3 TRP 3 HE3 TRP 3 -5.884 3.224 -1.439 24 HZ2 TRP 3 HZ2 TRP 3 -6.688 -1.545 -0.393 25 HZ3 TRP 3 HZ3 TRP 3 -4.302 1.940 -0.095 26 HH2 TRP 3 HH2 TRP 3 -4.688 -0.390 0.414 27 H GLY 4 HN GLY 4 -5.965 4.279 -2.931 28 HA2 GLY 4 HA2 GLY 4 -5.107 5.619 -4.917 29 HA3 GLY 4 HA1 GLY 4 -5.500 6.999 -3.876 30 H THR 5 HN THR 5 -5.034 4.651 -1.870 31 HA THR 5 HA THR 5 -2.248 5.181 -1.308 32 HB THR 5 HB THR 5 -4.670 4.635 0.281 33 HG1 THR 5 HG1 THR 5 -3.194 5.991 1.743 34 HG21 THR 5 HG21 THR 5 -2.984 2.714 0.671 35 HG22 THR 5 HG22 THR 5 -3.667 3.540 2.073 36 HG23 THR 5 HG23 THR 5 -2.034 3.928 1.527 37 H LEU 6 HN LEU 6 -4.116 3.020 -2.846 38 HA LEU 6 HA LEU 6 -2.911 0.585 -1.939 39 HB2 LEU 6 HB1 LEU 6 -4.179 -0.496 -3.761 40 HB3 LEU 6 HB2 LEU 6 -5.149 0.411 -2.632 41 HG LEU 6 HG LEU 6 -4.542 1.212 -5.457 42 HD11 LEU 6 HD11 LEU 6 -7.158 0.734 -4.105 43 HD12 LEU 6 HD12 LEU 6 -6.262 -0.589 -4.876 44 HD13 LEU 6 HD13 LEU 6 -6.822 0.780 -5.844 45 HD21 LEU 6 HD21 LEU 6 -6.163 2.634 -3.386 46 HD22 LEU 6 HD22 LEU 6 -6.033 3.074 -5.097 47 HD23 LEU 6 HD23 LEU 6 -4.620 3.198 -4.051 48 H GLN 7 HN GLN 7 -3.120 1.462 -5.293 49 HA GLN 7 HA GLN 7 -1.074 0.483 -6.508 50 HB2 GLN 7 HB1 GLN 7 -0.523 3.147 -7.078 51 HB3 GLN 7 HB2 GLN 7 -1.659 2.108 -7.936 52 HG2 GLN 7 HG1 GLN 7 -2.867 4.031 -7.370 53 HG3 GLN 7 HG2 GLN 7 -3.333 2.806 -6.183 54 HE21 GLN 7 HE21 GLN 7 -2.690 2.980 -4.102 55 HE22 GLN 7 HE22 GLN 7 -2.017 4.408 -3.429 56 H THR 8 HN THR 8 -0.679 2.776 -3.881 57 HA THR 8 HA THR 8 2.226 2.725 -4.103 58 HB THR 8 HB THR 8 1.303 4.925 -3.818 59 HG1 THR 8 HG1 THR 8 2.473 4.004 -1.381 60 HG21 THR 8 HG21 THR 8 -0.436 3.506 -2.026 61 HG22 THR 8 HG22 THR 8 -0.608 5.137 -2.697 62 HG23 THR 8 HG23 THR 8 0.294 4.891 -1.200 63 H ILE 9 HN ILE 9 -0.337 1.935 -1.897 64 HA ILE 9 HA ILE 9 1.523 0.355 -0.298 65 HB ILE 9 HB ILE 9 -0.899 1.658 0.878 66 HG12 ILE 9 HG11 ILE 9 0.594 3.429 0.034 67 HG13 ILE 9 HG12 ILE 9 0.539 3.413 1.792 68 HG21 ILE 9 HG21 ILE 9 1.579 0.458 2.105 69 HG22 ILE 9 HG22 ILE 9 -0.050 -0.216 2.137 70 HG23 ILE 9 HG23 ILE 9 0.304 1.275 3.008 71 HD11 ILE 9 HD11 ILE 9 2.734 2.246 0.101 72 HD12 ILE 9 HD12 ILE 9 2.682 2.271 1.863 73 HD13 ILE 9 HD13 ILE 9 2.795 3.783 0.961 74 H LEU 10 HN LEU 10 -0.102 -0.294 -2.522 75 HA LEU 10 HA LEU 10 -2.486 -1.418 -2.359 76 HB2 LEU 10 HB2 LEU 10 -1.022 -1.483 -4.298 77 HB3 LEU 10 HB1 LEU 10 -0.123 -2.794 -3.576 78 HG LEU 10 HG LEU 10 -1.975 -4.294 -3.801 79 HD11 LEU 10 HD11 LEU 10 -3.596 -2.157 -3.443 80 HD12 LEU 10 HD12 LEU 10 -4.139 -3.710 -4.074 81 HD13 LEU 10 HD13 LEU 10 -3.751 -2.393 -5.182 82 HD21 LEU 10 HD21 LEU 10 -1.569 -2.576 -6.223 83 HD22 LEU 10 HD22 LEU 10 -2.375 -4.146 -6.259 84 HD23 LEU 10 HD23 LEU 10 -0.676 -4.034 -5.794 85 H GLY 11 HN GLY 11 -3.362 -3.436 -2.042 86 HA2 GLY 11 HA1 GLY 11 -2.981 -4.561 0.452 87 HA3 GLY 11 HA2 GLY 11 -3.855 -5.282 -0.888 88 H GLY 12 HN GLY 12 -1.253 -5.182 -2.478 89 HA2 GLY 12 HA1 GLY 12 0.022 -7.504 -1.168 90 HA3 GLY 12 HA2 GLY 12 -0.330 -7.482 -2.887 91 H VAL 13 HN VAL 13 0.475 -4.555 -2.948 92 HA VAL 13 HA VAL 13 3.062 -4.879 -3.884 93 HB VAL 13 HB VAL 13 1.439 -2.886 -4.192 94 HG11 VAL 13 HG11 VAL 13 1.857 -2.574 -1.559 95 HG12 VAL 13 HG12 VAL 13 1.343 -1.275 -2.635 96 HG13 VAL 13 HG13 VAL 13 3.047 -1.444 -2.202 97 HG21 VAL 13 HG21 VAL 13 3.597 -3.074 -5.313 98 HG22 VAL 13 HG22 VAL 13 4.411 -2.449 -3.878 99 HG23 VAL 13 HG23 VAL 13 3.310 -1.415 -4.789 100 H ASN 14 HN ASN 14 5.106 -4.189 -3.078 101 HA ASN 14 HA ASN 14 5.292 -3.899 -0.169 102 HB2 ASN 14 HB2 ASN 14 7.166 -5.519 -0.100 103 HB3 ASN 14 HB1 ASN 14 5.645 -6.269 -0.576 104 HD21 ASN 14 HD21 ASN 14 8.556 -7.285 -2.754 105 HD22 ASN 14 HD22 ASN 14 8.389 -7.130 -1.042 106 H LYS 15 HN LYS 15 6.203 -1.970 0.067 107 HA LYS 15 HA LYS 15 8.841 -1.470 -0.881 108 HB2 LYS 15 HB2 LYS 15 8.244 0.600 -2.177 109 HB3 LYS 15 HB1 LYS 15 7.805 -0.912 -2.956 110 HG2 LYS 15 HG2 LYS 15 5.496 -0.629 -2.246 111 HG3 LYS 15 HG1 LYS 15 5.925 0.870 -1.418 112 HD2 LYS 15 HD2 LYS 15 6.263 0.394 -4.377 113 HD3 LYS 15 HD1 LYS 15 4.887 1.224 -3.648 114 HE2 LYS 15 HE2 LYS 15 6.402 2.908 -2.717 115 HE3 LYS 15 HE1 LYS 15 7.772 2.081 -3.457 116 HZ1 LYS 15 HZ1 LYS 15 6.810 2.511 -5.632 117 HZ2 LYS 15 HZ2 LYS 15 7.055 3.957 -4.790 118 HZ3 LYS 15 HZ3 LYS 15 5.499 3.309 -4.920 119 H HIS 16 HN HIS 16 6.287 -0.978 1.162 120 HA HIS 16 HA HIS 16 7.270 1.569 2.210 121 HB2 HIS 16 HB1 HIS 16 5.264 1.501 3.655 122 HB3 HIS 16 HB2 HIS 16 4.857 1.377 1.947 123 HD1 HIS 16 HD1 HIS 16 3.884 -0.869 1.117 124 HD2 HIS 16 HD2 HIS 16 4.683 -0.763 5.194 125 HE1 HIS 16 HE1 HIS 16 2.728 -2.884 2.081 126 HE2 HIS 16 HE2 HIS 16 3.226 -2.802 4.550 127 H SER 17 HN SER 17 6.962 -1.824 3.066 128 HA SER 17 HA SER 17 9.109 -1.688 4.918 129 HB2 SER 17 HB2 SER 17 7.407 -0.673 6.360 130 HB3 SER 17 HB1 SER 17 6.338 -2.049 6.089 131 HG SER 17 HG SER 17 8.728 -1.912 7.564 132 H THR 18 HN THR 18 9.828 -3.734 5.553 133 HA THR 18 HA THR 18 8.646 -5.930 4.023 134 HB THR 18 HB THR 18 11.303 -5.827 5.467 135 HG1 THR 18 HG1 THR 18 11.890 -4.737 3.756 136 HG21 THR 18 HG21 THR 18 10.193 -7.823 3.490 137 HG22 THR 18 HG22 THR 18 10.459 -8.104 5.210 138 HG23 THR 18 HG23 THR 18 11.832 -7.827 4.139 139 H SER 19 HN SER 19 6.917 -6.554 5.287 140 HA SER 19 HA SER 19 7.562 -8.225 7.536 141 HB2 SER 19 HB2 SER 19 5.786 -5.808 7.931 142 HB3 SER 19 HB1 SER 19 6.008 -7.103 9.106 143 HG SER 19 HG SER 19 8.289 -6.542 9.048 144 H ILE 20 HN ILE 20 6.101 -7.885 4.808 145 HA ILE 20 HA ILE 20 3.622 -9.278 5.576 146 HB ILE 20 HB ILE 20 2.732 -8.599 3.378 147 HG12 ILE 20 HG12 ILE 20 5.310 -7.025 3.176 148 HG13 ILE 20 HG11 ILE 20 4.866 -8.407 2.180 149 HG21 ILE 20 HG21 ILE 20 3.748 -6.293 5.034 150 HG22 ILE 20 HG22 ILE 20 2.304 -7.245 5.377 151 HG23 ILE 20 HG23 ILE 20 2.381 -6.252 3.922 152 HD11 ILE 20 HD11 ILE 20 3.489 -5.733 2.232 153 HD12 ILE 20 HD12 ILE 20 2.982 -7.124 1.273 154 HD13 ILE 20 HD13 ILE 20 4.538 -6.357 0.960 155 H GLY 21 HN GLY 21 2.884 -10.486 3.307 156 HA2 GLY 21 HA1 GLY 21 3.363 -12.157 1.769 157 HA3 GLY 21 HA2 GLY 21 5.075 -11.908 2.079 158 H LYS 22 HN LYS 22 6.113 -13.453 3.154 159 HA LYS 22 HA LYS 22 4.494 -15.452 4.578 160 HB2 LYS 22 HB2 LYS 22 6.542 -16.923 4.276 161 HB3 LYS 22 HB1 LYS 22 5.644 -16.529 2.818 162 HG2 LYS 22 HG2 LYS 22 7.997 -14.870 3.604 163 HG3 LYS 22 HG1 LYS 22 8.235 -16.429 2.813 164 HD2 LYS 22 HD2 LYS 22 6.808 -15.689 0.955 165 HD3 LYS 22 HD1 LYS 22 6.613 -14.121 1.741 166 HE2 LYS 22 HE1 LYS 22 8.312 -14.014 0.000 167 HE3 LYS 22 HE2 LYS 22 9.023 -13.742 1.591 168 HZ1 LYS 22 HZ1 LYS 22 9.784 -16.030 1.610 169 HZ2 LYS 22 HZ2 LYS 22 10.378 -15.225 0.246 170 HZ3 LYS 22 HZ3 LYS 22 9.086 -16.307 0.093 Start of MODEL 12 1 H1 ACE 0 HA1 ACE 0 -15.549 1.143 -2.726 2 H2 ACE 0 HA2 ACE 0 -14.226 0.450 -3.662 3 H3 ACE 0 HA3 ACE 0 -14.581 2.167 -3.829 4 H MET 1 HN MET 1 -12.048 1.207 -3.181 5 HA MET 1 HA MET 1 -11.709 1.573 -0.324 6 HB2 MET 1 HB1 MET 1 -10.410 -0.157 -1.504 7 HB3 MET 1 HB2 MET 1 -9.634 1.110 -2.453 8 HG2 MET 1 HG1 MET 1 -8.447 0.104 -0.370 9 HG3 MET 1 HG2 MET 1 -8.341 1.836 -0.711 10 HE1 MET 1 HE1 MET 1 -9.930 -0.981 1.504 11 HE2 MET 1 HE2 MET 1 -11.363 -0.260 0.772 12 HE3 MET 1 HE3 MET 1 -11.070 -0.079 2.501 13 H ASP 2 HN ASP 2 -12.358 3.704 -2.567 14 HA ASP 2 HA ASP 2 -11.924 5.955 -2.795 15 HB2 ASP 2 HB2 ASP 2 -11.112 5.265 -0.029 16 HB3 ASP 2 HB1 ASP 2 -10.447 6.741 -0.675 17 H TRP 3 HN TRP 3 -10.145 3.636 -3.319 18 HA TRP 3 HA TRP 3 -7.660 3.646 -3.041 19 HB2 TRP 3 HB1 TRP 3 -9.275 3.140 -5.363 20 HB3 TRP 3 HB2 TRP 3 -7.542 3.240 -5.625 21 HD1 TRP 3 HD1 TRP 3 -9.467 0.689 -5.591 22 HE1 TRP 3 HE1 TRP 3 -8.719 -1.410 -4.291 23 HE3 TRP 3 HE3 TRP 3 -6.361 2.954 -2.357 24 HZ2 TRP 3 HZ2 TRP 3 -6.992 -1.947 -2.100 25 HZ3 TRP 3 HZ3 TRP 3 -5.213 1.619 -0.667 26 HH2 TRP 3 HH2 TRP 3 -5.518 -0.777 -0.540 27 H GLY 4 HN GLY 4 -6.033 4.177 -3.686 28 HA2 GLY 4 HA2 GLY 4 -4.693 5.800 -5.117 29 HA3 GLY 4 HA1 GLY 4 -5.555 7.015 -4.158 30 H THR 5 HN THR 5 -5.564 4.478 -2.337 31 HA THR 5 HA THR 5 -3.205 5.112 -0.792 32 HB THR 5 HB THR 5 -5.952 4.213 -0.208 33 HG1 THR 5 HG1 THR 5 -4.173 5.644 1.473 34 HG21 THR 5 HG21 THR 5 -4.307 2.382 0.577 35 HG22 THR 5 HG22 THR 5 -5.502 2.991 1.725 36 HG23 THR 5 HG23 THR 5 -3.830 3.551 1.809 37 H LEU 6 HN LEU 6 -4.207 3.041 -3.077 38 HA LEU 6 HA LEU 6 -3.140 0.602 -2.027 39 HB2 LEU 6 HB1 LEU 6 -3.601 -0.342 -4.260 40 HB3 LEU 6 HB2 LEU 6 -4.983 0.364 -3.465 41 HG LEU 6 HG LEU 6 -3.534 1.525 -5.820 42 HD11 LEU 6 HD11 LEU 6 -6.392 0.724 -5.516 43 HD12 LEU 6 HD12 LEU 6 -5.158 -0.440 -6.036 44 HD13 LEU 6 HD13 LEU 6 -5.489 0.994 -7.016 45 HD21 LEU 6 HD21 LEU 6 -5.900 2.586 -4.327 46 HD22 LEU 6 HD22 LEU 6 -5.244 3.231 -5.842 47 HD23 LEU 6 HD23 LEU 6 -4.288 3.325 -4.364 48 H GLN 7 HN GLN 7 -2.300 1.945 -5.116 49 HA GLN 7 HA GLN 7 0.125 1.191 -5.581 50 HB2 GLN 7 HB1 GLN 7 0.585 3.906 -5.831 51 HB3 GLN 7 HB2 GLN 7 -0.128 2.867 -7.064 52 HG2 GLN 7 HG1 GLN 7 -1.545 4.747 -6.790 53 HG3 GLN 7 HG2 GLN 7 -2.339 3.364 -6.022 54 HE21 GLN 7 HE21 GLN 7 -2.482 3.259 -3.817 55 HE22 GLN 7 HE22 GLN 7 -2.204 4.605 -2.791 56 H THR 8 HN THR 8 -0.682 3.193 -2.836 57 HA THR 8 HA THR 8 2.106 3.448 -2.050 58 HB THR 8 HB THR 8 0.718 5.463 -1.863 59 HG1 THR 8 HG1 THR 8 1.876 4.264 0.411 60 HG21 THR 8 HG21 THR 8 -1.142 3.637 -0.844 61 HG22 THR 8 HG22 THR 8 -1.334 5.389 -1.012 62 HG23 THR 8 HG23 THR 8 -0.729 4.708 0.501 63 H ILE 9 HN ILE 9 -0.859 1.966 -1.045 64 HA ILE 9 HA ILE 9 0.580 0.526 1.036 65 HB ILE 9 HB ILE 9 -2.389 0.958 0.904 66 HG12 ILE 9 HG11 ILE 9 -1.198 3.028 1.457 67 HG13 ILE 9 HG12 ILE 9 -2.070 2.419 2.860 68 HG21 ILE 9 HG21 ILE 9 -0.684 -0.347 3.018 69 HG22 ILE 9 HG22 ILE 9 -1.834 -1.151 1.951 70 HG23 ILE 9 HG23 ILE 9 -2.408 -0.008 3.164 71 HD11 ILE 9 HD11 ILE 9 0.009 1.509 3.756 72 HD12 ILE 9 HD12 ILE 9 0.119 3.247 3.482 73 HD13 ILE 9 HD13 ILE 9 0.881 2.127 2.353 74 H LEU 10 HN LEU 10 -1.747 0.326 -1.462 75 HA LEU 10 HA LEU 10 -2.643 -1.307 -2.728 76 HB2 LEU 10 HB2 LEU 10 -0.332 -1.048 -3.537 77 HB3 LEU 10 HB1 LEU 10 0.123 -2.443 -2.578 78 HG LEU 10 HG LEU 10 -1.211 -3.900 -3.938 79 HD11 LEU 10 HD11 LEU 10 -3.029 -2.062 -4.230 80 HD12 LEU 10 HD12 LEU 10 -2.784 -3.245 -5.513 81 HD13 LEU 10 HD13 LEU 10 -2.104 -1.624 -5.666 82 HD21 LEU 10 HD21 LEU 10 0.312 -1.892 -5.559 83 HD22 LEU 10 HD22 LEU 10 -0.232 -3.450 -6.184 84 HD23 LEU 10 HD23 LEU 10 0.939 -3.385 -4.864 85 H GLY 11 HN GLY 11 -2.914 -3.646 -3.133 86 HA2 GLY 11 HA1 GLY 11 -4.071 -4.909 -0.967 87 HA3 GLY 11 HA2 GLY 11 -3.597 -5.679 -2.473 88 H GLY 12 HN GLY 12 -0.759 -4.769 -1.890 89 HA2 GLY 12 HA2 GLY 12 0.259 -5.829 0.447 90 HA3 GLY 12 HA1 GLY 12 0.103 -7.190 -0.653 91 H VAL 13 HN VAL 13 0.892 -3.890 -1.616 92 HA VAL 13 HA VAL 13 3.045 -4.640 -3.211 93 HB VAL 13 HB VAL 13 1.916 -2.509 -3.516 94 HG11 VAL 13 HG11 VAL 13 1.908 -2.270 -0.904 95 HG12 VAL 13 HG12 VAL 13 1.809 -0.858 -1.956 96 HG13 VAL 13 HG13 VAL 13 3.349 -1.306 -1.215 97 HG21 VAL 13 HG21 VAL 13 4.842 -2.169 -2.858 98 HG22 VAL 13 HG22 VAL 13 3.879 -1.088 -3.864 99 HG23 VAL 13 HG23 VAL 13 4.184 -2.743 -4.390 100 H ASN 14 HN ASN 14 5.262 -4.621 -2.952 101 HA ASN 14 HA ASN 14 6.298 -4.142 -0.248 102 HB2 ASN 14 HB1 ASN 14 7.669 -6.182 -0.389 103 HB3 ASN 14 HB2 ASN 14 5.949 -6.556 -0.449 104 HD21 ASN 14 HD21 ASN 14 8.384 -7.368 -3.586 105 HD22 ASN 14 HD22 ASN 14 8.924 -6.441 -2.233 106 H LYS 15 HN LYS 15 6.368 -2.935 -3.094 107 HA LYS 15 HA LYS 15 9.116 -3.074 -3.881 108 HB2 LYS 15 HB1 LYS 15 6.957 -1.109 -4.669 109 HB3 LYS 15 HB2 LYS 15 8.521 -1.271 -5.456 110 HG2 LYS 15 HG2 LYS 15 7.957 -3.553 -6.119 111 HG3 LYS 15 HG1 LYS 15 6.388 -3.394 -5.327 112 HD2 LYS 15 HD2 LYS 15 7.350 -1.640 -7.585 113 HD3 LYS 15 HD1 LYS 15 6.300 -3.045 -7.785 114 HE2 LYS 15 HE1 LYS 15 4.626 -1.994 -6.339 115 HE3 LYS 15 HE2 LYS 15 5.674 -0.590 -6.146 116 HZ1 LYS 15 HZ1 LYS 15 4.509 -1.536 -8.709 117 HZ2 LYS 15 HZ2 LYS 15 5.515 -0.190 -8.524 118 HZ3 LYS 15 HZ3 LYS 15 3.979 -0.199 -7.815 119 H HIS 16 HN HIS 16 7.485 -1.429 -1.438 120 HA HIS 16 HA HIS 16 9.192 0.905 -1.403 121 HB2 HIS 16 HB1 HIS 16 7.188 -0.076 0.638 122 HB3 HIS 16 HB2 HIS 16 7.971 1.500 0.643 123 HD1 HIS 16 HD1 HIS 16 5.040 -0.251 -0.614 124 HD2 HIS 16 HD2 HIS 16 7.196 3.146 -1.650 125 HE1 HIS 16 HE1 HIS 16 3.527 1.071 -2.126 126 HE2 HIS 16 HE2 HIS 16 4.851 3.124 -2.739 127 H SER 17 HN SER 17 10.919 1.274 -0.100 128 HA SER 17 HA SER 17 12.369 -0.926 0.902 129 HB2 SER 17 HB1 SER 17 12.727 2.028 1.468 130 HB3 SER 17 HB2 SER 17 13.911 0.772 1.825 131 HG SER 17 HG SER 17 12.908 1.050 -0.784 132 H THR 18 HN THR 18 10.690 1.711 2.613 133 HA THR 18 HA THR 18 11.131 0.683 5.205 134 HB THR 18 HB THR 18 8.857 2.476 4.334 135 HG1 THR 18 HG1 THR 18 11.338 2.999 4.007 136 HG21 THR 18 HG21 THR 18 10.231 2.130 7.000 137 HG22 THR 18 HG22 THR 18 8.609 1.573 6.591 138 HG23 THR 18 HG23 THR 18 8.962 3.300 6.643 139 H SER 19 HN SER 19 9.656 -0.346 6.638 140 HA SER 19 HA SER 19 8.089 -2.389 5.380 141 HB2 SER 19 HB1 SER 19 9.438 -2.688 7.501 142 HB3 SER 19 HB2 SER 19 8.198 -1.737 8.317 143 HG SER 19 HG SER 19 8.168 -4.331 7.752 144 H ILE 20 HN ILE 20 7.444 0.709 5.813 145 HA ILE 20 HA ILE 20 5.622 2.036 6.115 146 HB ILE 20 HB ILE 20 3.885 1.573 4.648 147 HG12 ILE 20 HG12 ILE 20 4.462 -1.386 4.933 148 HG13 ILE 20 HG11 ILE 20 3.136 -0.543 5.726 149 HG21 ILE 20 HG21 ILE 20 6.352 0.076 3.819 150 HG22 ILE 20 HG22 ILE 20 5.874 1.723 3.396 151 HG23 ILE 20 HG23 ILE 20 4.996 0.349 2.720 152 HD11 ILE 20 HD11 ILE 20 2.216 0.024 3.514 153 HD12 ILE 20 HD12 ILE 20 2.318 -1.714 3.798 154 HD13 ILE 20 HD13 ILE 20 3.506 -0.918 2.766 155 H GLY 21 HN GLY 21 2.959 1.633 6.530 156 HA2 GLY 21 HA1 GLY 21 1.395 0.620 8.014 157 HA3 GLY 21 HA2 GLY 21 2.739 -0.029 8.942 158 H LYS 22 HN LYS 22 4.202 1.790 9.872 159 HA LYS 22 HA LYS 22 2.614 4.085 10.752 160 HB2 LYS 22 HB1 LYS 22 4.015 2.166 12.623 161 HB3 LYS 22 HB2 LYS 22 3.303 3.700 13.103 162 HG2 LYS 22 HG2 LYS 22 1.111 2.935 12.614 163 HG3 LYS 22 HG1 LYS 22 1.729 1.487 11.816 164 HD2 LYS 22 HD2 LYS 22 2.608 0.670 13.930 165 HD3 LYS 22 HD1 LYS 22 2.057 2.137 14.744 166 HE2 LYS 22 HE1 LYS 22 0.307 0.087 13.390 167 HE3 LYS 22 HE2 LYS 22 0.515 0.287 15.129 168 HZ1 LYS 22 HZ1 LYS 22 -0.636 2.310 13.285 169 HZ2 LYS 22 HZ2 LYS 22 -0.442 2.498 14.954 170 HZ3 LYS 22 HZ3 LYS 22 -1.515 1.338 14.354 Start of MODEL 13 1 H1 ACE 0 HA1 ACE 0 -13.965 0.032 -0.913 2 H2 ACE 0 HA2 ACE 0 -14.682 1.611 -0.606 3 H3 ACE 0 HA3 ACE 0 -15.031 0.287 0.502 4 H MET 1 HN MET 1 -11.867 0.795 -0.868 5 HA MET 1 HA MET 1 -10.799 1.184 1.805 6 HB2 MET 1 HB1 MET 1 -9.772 -0.492 0.317 7 HB3 MET 1 HB2 MET 1 -9.342 0.803 -0.800 8 HG2 MET 1 HG1 MET 1 -7.596 -0.120 0.891 9 HG3 MET 1 HG2 MET 1 -7.672 1.613 0.540 10 HE1 MET 1 HE1 MET 1 -8.453 -1.259 3.095 11 HE2 MET 1 HE2 MET 1 -10.068 -0.632 2.760 12 HE3 MET 1 HE3 MET 1 -9.348 -0.407 4.354 13 H ASP 2 HN ASP 2 -12.129 3.255 -0.177 14 HA ASP 2 HA ASP 2 -11.887 5.523 -0.505 15 HB2 ASP 2 HB2 ASP 2 -10.337 4.903 1.945 16 HB3 ASP 2 HB1 ASP 2 -9.945 6.406 1.151 17 H TRP 3 HN TRP 3 -10.192 3.293 -1.490 18 HA TRP 3 HA TRP 3 -7.726 3.431 -1.880 19 HB2 TRP 3 HB1 TRP 3 -9.870 2.820 -3.693 20 HB3 TRP 3 HB2 TRP 3 -8.276 3.004 -4.405 21 HD1 TRP 3 HD1 TRP 3 -9.992 0.360 -3.871 22 HE1 TRP 3 HE1 TRP 3 -8.820 -1.685 -2.823 23 HE3 TRP 3 HE3 TRP 3 -6.259 2.810 -1.568 24 HZ2 TRP 3 HZ2 TRP 3 -6.550 -2.113 -1.169 25 HZ3 TRP 3 HZ3 TRP 3 -4.639 1.551 -0.247 26 HH2 TRP 3 HH2 TRP 3 -4.776 -0.855 -0.053 27 H GLY 4 HN GLY 4 -6.359 4.036 -2.934 28 HA2 GLY 4 HA2 GLY 4 -5.532 5.708 -4.665 29 HA3 GLY 4 HA1 GLY 4 -6.167 6.888 -3.506 30 H THR 5 HN THR 5 -5.567 4.379 -1.754 31 HA THR 5 HA THR 5 -2.915 5.141 -0.892 32 HB THR 5 HB THR 5 -5.361 4.117 0.398 33 HG1 THR 5 HG1 THR 5 -3.937 5.432 2.107 34 HG21 THR 5 HG21 THR 5 -3.482 2.375 0.717 35 HG22 THR 5 HG22 THR 5 -4.354 2.943 2.143 36 HG23 THR 5 HG23 THR 5 -2.749 3.579 1.776 37 H LEU 6 HN LEU 6 -4.380 3.002 -2.837 38 HA LEU 6 HA LEU 6 -2.960 0.627 -2.108 39 HB2 LEU 6 HB1 LEU 6 -3.941 -0.361 -4.149 40 HB3 LEU 6 HB2 LEU 6 -5.097 0.281 -3.015 41 HG LEU 6 HG LEU 6 -4.382 1.494 -5.663 42 HD11 LEU 6 HD11 LEU 6 -7.013 0.551 -4.616 43 HD12 LEU 6 HD12 LEU 6 -5.903 -0.552 -5.452 44 HD13 LEU 6 HD13 LEU 6 -6.556 0.856 -6.300 45 HD21 LEU 6 HD21 LEU 6 -6.318 2.447 -3.591 46 HD22 LEU 6 HD22 LEU 6 -6.125 3.109 -5.224 47 HD23 LEU 6 HD23 LEU 6 -4.815 3.266 -4.053 48 H GLN 7 HN GLN 7 -3.020 1.969 -5.308 49 HA GLN 7 HA GLN 7 -0.771 1.326 -6.395 50 HB2 GLN 7 HB1 GLN 7 -0.517 4.058 -6.743 51 HB3 GLN 7 HB2 GLN 7 -1.477 2.979 -7.751 52 HG2 GLN 7 HG1 GLN 7 -2.860 4.792 -7.108 53 HG3 GLN 7 HG2 GLN 7 -3.361 3.382 -6.165 54 HE21 GLN 7 HE21 GLN 7 -2.921 3.290 -4.000 55 HE22 GLN 7 HE22 GLN 7 -2.446 4.656 -3.077 56 H THR 8 HN THR 8 -0.919 3.317 -3.527 57 HA THR 8 HA THR 8 1.963 3.698 -3.498 58 HB THR 8 HB THR 8 0.599 5.655 -2.946 59 HG1 THR 8 HG1 THR 8 1.776 6.198 -1.098 60 HG21 THR 8 HG21 THR 8 -0.864 3.758 -1.488 61 HG22 THR 8 HG22 THR 8 -1.175 5.496 -1.617 62 HG23 THR 8 HG23 THR 8 -0.178 4.873 -0.299 63 H ILE 9 HN ILE 9 -0.568 2.107 -1.746 64 HA ILE 9 HA ILE 9 1.429 0.741 -0.125 65 HB ILE 9 HB ILE 9 -1.485 1.050 0.533 66 HG12 ILE 9 HG11 ILE 9 -0.283 3.175 0.751 67 HG13 ILE 9 HG12 ILE 9 -0.724 2.548 2.334 68 HG21 ILE 9 HG21 ILE 9 0.775 -0.157 2.119 69 HG22 ILE 9 HG22 ILE 9 -0.582 -1.021 1.399 70 HG23 ILE 9 HG23 ILE 9 -0.862 0.114 2.719 71 HD11 ILE 9 HD11 ILE 9 1.997 2.372 1.064 72 HD12 ILE 9 HD12 ILE 9 1.556 1.737 2.649 73 HD13 ILE 9 HD13 ILE 9 1.513 3.475 2.352 74 H LEU 10 HN LEU 10 -1.461 0.426 -1.926 75 HA LEU 10 HA LEU 10 -2.585 -1.247 -2.926 76 HB2 LEU 10 HB2 LEU 10 -0.566 -0.937 -4.293 77 HB3 LEU 10 HB1 LEU 10 0.169 -2.293 -3.461 78 HG LEU 10 HG LEU 10 -1.400 -3.827 -4.427 79 HD11 LEU 10 HD11 LEU 10 -3.301 -2.056 -4.268 80 HD12 LEU 10 HD12 LEU 10 -3.347 -3.264 -5.550 81 HD13 LEU 10 HD13 LEU 10 -2.795 -1.627 -5.902 82 HD21 LEU 10 HD21 LEU 10 -0.423 -1.796 -6.404 83 HD22 LEU 10 HD22 LEU 10 -1.036 -3.389 -6.851 84 HD23 LEU 10 HD23 LEU 10 0.426 -3.247 -5.870 85 H GLY 11 HN GLY 11 -2.886 -3.592 -3.230 86 HA2 GLY 11 HA1 GLY 11 -3.493 -4.855 -0.874 87 HA3 GLY 11 HA2 GLY 11 -3.275 -5.654 -2.424 88 H GLY 12 HN GLY 12 -0.416 -4.671 -2.463 89 HA2 GLY 12 HA2 GLY 12 0.996 -5.689 -0.269 90 HA3 GLY 12 HA1 GLY 12 0.780 -6.997 -1.421 91 H VAL 13 HN VAL 13 1.195 -3.624 -2.367 92 HA VAL 13 HA VAL 13 3.467 -4.353 -3.969 93 HB VAL 13 HB VAL 13 1.665 -2.628 -4.578 94 HG11 VAL 13 HG11 VAL 13 3.112 -1.277 -2.431 95 HG12 VAL 13 HG12 VAL 13 1.476 -1.017 -3.027 96 HG13 VAL 13 HG13 VAL 13 2.849 -0.295 -3.868 97 HG21 VAL 13 HG21 VAL 13 3.251 -1.331 -5.918 98 HG22 VAL 13 HG22 VAL 13 3.638 -3.050 -5.942 99 HG23 VAL 13 HG23 VAL 13 4.582 -1.949 -4.940 100 H ASN 14 HN ASN 14 3.424 -4.184 -0.876 101 HA ASN 14 HA ASN 14 5.498 -2.250 -0.338 102 HB2 ASN 14 HB1 ASN 14 4.273 -4.367 1.439 103 HB3 ASN 14 HB2 ASN 14 5.382 -3.109 1.974 104 HD21 ASN 14 HD21 ASN 14 4.226 -1.106 0.199 105 HD22 ASN 14 HD22 ASN 14 2.720 -0.650 0.912 106 H LYS 15 HN LYS 15 7.192 -2.981 -1.672 107 HA LYS 15 HA LYS 15 8.611 -5.317 -0.585 108 HB2 LYS 15 HB1 LYS 15 8.303 -4.554 -3.493 109 HB3 LYS 15 HB2 LYS 15 9.483 -5.723 -2.913 110 HG2 LYS 15 HG1 LYS 15 7.763 -7.085 -3.586 111 HG3 LYS 15 HG2 LYS 15 7.413 -6.897 -1.868 112 HD2 LYS 15 HD2 LYS 15 5.365 -6.629 -3.070 113 HD3 LYS 15 HD1 LYS 15 5.850 -5.044 -2.466 114 HE2 LYS 15 HE1 LYS 15 5.050 -4.906 -4.767 115 HE3 LYS 15 HE2 LYS 15 6.756 -4.472 -4.654 116 HZ1 LYS 15 HZ1 LYS 15 7.334 -6.689 -5.422 117 HZ2 LYS 15 HZ2 LYS 15 6.336 -5.911 -6.544 118 HZ3 LYS 15 HZ3 LYS 15 5.697 -7.105 -5.531 119 H HIS 16 HN HIS 16 8.612 -2.061 -1.100 120 HA HIS 16 HA HIS 16 11.557 -1.944 -1.083 121 HB2 HIS 16 HB1 HIS 16 11.411 0.232 -2.197 122 HB3 HIS 16 HB2 HIS 16 10.637 -1.016 -3.166 123 HD1 HIS 16 HD1 HIS 16 8.038 -0.922 -3.368 124 HD2 HIS 16 HD2 HIS 16 9.730 2.254 -1.289 125 HE1 HIS 16 HE1 HIS 16 6.226 0.814 -3.201 126 HE2 HIS 16 HE2 HIS 16 7.272 2.727 -1.938 127 H SER 17 HN SER 17 8.578 -0.963 0.362 128 HA SER 17 HA SER 17 8.072 0.059 2.324 129 HB2 SER 17 HB2 SER 17 9.771 -1.411 3.310 130 HB3 SER 17 HB1 SER 17 11.031 -0.248 2.896 131 HG SER 17 HG SER 17 9.575 -0.320 5.082 132 H THR 18 HN THR 18 7.883 2.123 3.143 133 HA THR 18 HA THR 18 8.012 4.394 3.194 134 HB THR 18 HB THR 18 10.836 4.021 2.179 135 HG1 THR 18 HG1 THR 18 9.666 3.592 4.623 136 HG21 THR 18 HG21 THR 18 9.517 6.352 3.575 137 HG22 THR 18 HG22 THR 18 10.026 6.304 1.887 138 HG23 THR 18 HG23 THR 18 11.230 6.234 3.174 139 H SER 19 HN SER 19 6.941 5.647 1.833 140 HA SER 19 HA SER 19 6.622 5.143 -0.877 141 HB2 SER 19 HB2 SER 19 5.684 7.437 -1.023 142 HB3 SER 19 HB1 SER 19 5.032 6.520 0.335 143 HG SER 19 HG SER 19 5.623 8.225 1.425 144 H ILE 20 HN ILE 20 7.499 5.991 -2.742 145 HA ILE 20 HA ILE 20 9.796 7.780 -2.503 146 HB ILE 20 HB ILE 20 11.123 6.320 -3.996 147 HG12 ILE 20 HG12 ILE 20 8.895 4.343 -3.457 148 HG13 ILE 20 HG11 ILE 20 9.282 5.070 -5.013 149 HG21 ILE 20 HG21 ILE 20 10.247 5.227 -1.331 150 HG22 ILE 20 HG22 ILE 20 11.646 6.244 -1.683 151 HG23 ILE 20 HG23 ILE 20 11.611 4.572 -2.241 152 HD11 ILE 20 HD11 ILE 20 10.979 3.138 -3.458 153 HD12 ILE 20 HD12 ILE 20 11.482 3.946 -4.942 154 HD13 ILE 20 HD13 ILE 20 10.115 2.831 -4.965 155 H GLY 21 HN GLY 21 6.967 7.714 -3.659 156 HA2 GLY 21 HA1 GLY 21 7.026 9.501 -5.620 157 HA3 GLY 21 HA2 GLY 21 7.492 8.057 -6.508 158 H LYS 22 HN LYS 22 5.983 6.234 -6.480 159 HA LYS 22 HA LYS 22 3.240 7.207 -6.657 160 HB2 LYS 22 HB1 LYS 22 4.433 4.554 -7.489 161 HB3 LYS 22 HB2 LYS 22 2.787 5.083 -7.813 162 HG2 LYS 22 HG2 LYS 22 5.274 6.432 -8.844 163 HG3 LYS 22 HG1 LYS 22 4.260 5.317 -9.761 164 HD2 LYS 22 HD1 LYS 22 2.362 6.843 -9.516 165 HD3 LYS 22 HD2 LYS 22 3.376 7.958 -8.599 166 HE2 LYS 22 HE1 LYS 22 4.841 8.219 -10.545 167 HE3 LYS 22 HE2 LYS 22 3.817 7.113 -11.461 168 HZ1 LYS 22 HZ1 LYS 22 1.983 8.666 -11.222 169 HZ2 LYS 22 HZ2 LYS 22 3.304 9.418 -11.965 170 HZ3 LYS 22 HZ3 LYS 22 2.962 9.726 -10.337 Start of MODEL 14 1 H1 ACE 0 HA1 ACE 0 -13.913 -0.349 -1.582 2 H2 ACE 0 HA2 ACE 0 -14.624 1.261 -1.497 3 H3 ACE 0 HA3 ACE 0 -15.148 0.035 -0.345 4 H MET 1 HN MET 1 -11.837 0.573 -1.384 5 HA MET 1 HA MET 1 -11.067 1.002 1.383 6 HB2 MET 1 HB1 MET 1 -9.820 -0.619 0.004 7 HB3 MET 1 HB2 MET 1 -9.329 0.707 -1.051 8 HG2 MET 1 HG2 MET 1 -7.631 1.202 0.277 9 HG3 MET 1 HG1 MET 1 -8.717 1.373 1.660 10 HE1 MET 1 HE1 MET 1 -5.915 -0.898 3.148 11 HE2 MET 1 HE2 MET 1 -6.855 0.581 3.350 12 HE3 MET 1 HE3 MET 1 -5.721 0.434 2.008 13 H ASP 2 HN ASP 2 -12.291 3.031 -0.676 14 HA ASP 2 HA ASP 2 -12.114 5.309 -0.975 15 HB2 ASP 2 HB2 ASP 2 -10.687 4.734 1.560 16 HB3 ASP 2 HB1 ASP 2 -10.290 6.246 0.787 17 H TRP 3 HN TRP 3 -10.302 3.130 -1.857 18 HA TRP 3 HA TRP 3 -7.824 3.340 -2.115 19 HB2 TRP 3 HB1 TRP 3 -9.848 2.665 -4.038 20 HB3 TRP 3 HB2 TRP 3 -8.224 2.896 -4.665 21 HD1 TRP 3 HD1 TRP 3 -9.884 0.200 -4.219 22 HE1 TRP 3 HE1 TRP 3 -8.707 -1.806 -3.102 23 HE3 TRP 3 HE3 TRP 3 -6.356 2.767 -1.729 24 HZ2 TRP 3 HZ2 TRP 3 -6.514 -2.161 -1.333 25 HZ3 TRP 3 HZ3 TRP 3 -4.767 1.561 -0.323 26 HH2 TRP 3 HH2 TRP 3 -4.840 -0.849 -0.130 27 H GLY 4 HN GLY 4 -6.420 3.982 -3.097 28 HA2 GLY 4 HA2 GLY 4 -5.545 5.675 -4.783 29 HA3 GLY 4 HA1 GLY 4 -6.277 6.839 -3.664 30 H THR 5 HN THR 5 -5.697 4.342 -1.879 31 HA THR 5 HA THR 5 -3.122 5.185 -0.875 32 HB THR 5 HB THR 5 -5.602 4.091 0.284 33 HG1 THR 5 HG1 THR 5 -5.177 6.169 0.809 34 HG21 THR 5 HG21 THR 5 -3.682 2.407 0.702 35 HG22 THR 5 HG22 THR 5 -4.661 2.934 2.073 36 HG23 THR 5 HG23 THR 5 -3.060 3.630 1.810 37 H LEU 6 HN LEU 6 -4.416 3.004 -2.892 38 HA LEU 6 HA LEU 6 -2.960 0.675 -2.090 39 HB2 LEU 6 HB1 LEU 6 -3.807 -0.344 -4.171 40 HB3 LEU 6 HB2 LEU 6 -5.040 0.267 -3.102 41 HG LEU 6 HG LEU 6 -4.222 1.491 -5.715 42 HD11 LEU 6 HD11 LEU 6 -6.877 0.481 -4.800 43 HD12 LEU 6 HD12 LEU 6 -5.695 -0.594 -5.574 44 HD13 LEU 6 HD13 LEU 6 -6.343 0.793 -6.460 45 HD21 LEU 6 HD21 LEU 6 -6.288 2.398 -3.753 46 HD22 LEU 6 HD22 LEU 6 -6.023 3.062 -5.375 47 HD23 LEU 6 HD23 LEU 6 -4.785 3.256 -4.135 48 H GLN 7 HN GLN 7 -2.903 2.012 -5.291 49 HA GLN 7 HA GLN 7 -0.580 1.448 -6.261 50 HB2 GLN 7 HB1 GLN 7 -0.405 4.184 -6.606 51 HB3 GLN 7 HB2 GLN 7 -1.277 3.071 -7.657 52 HG2 GLN 7 HG1 GLN 7 -2.752 4.837 -7.089 53 HG3 GLN 7 HG2 GLN 7 -3.250 3.412 -6.167 54 HE21 GLN 7 HE21 GLN 7 -2.914 3.340 -3.983 55 HE22 GLN 7 HE22 GLN 7 -2.531 4.723 -3.042 56 H THR 8 HN THR 8 -0.943 3.436 -3.411 57 HA THR 8 HA THR 8 1.918 3.923 -3.240 58 HB THR 8 HB THR 8 0.452 5.827 -2.764 59 HG1 THR 8 HG1 THR 8 2.376 4.846 -1.110 60 HG21 THR 8 HG21 THR 8 -1.007 3.882 -1.374 61 HG22 THR 8 HG22 THR 8 -1.370 5.609 -1.510 62 HG23 THR 8 HG23 THR 8 -0.413 5.013 -0.152 63 H ILE 9 HN ILE 9 -0.637 2.241 -1.611 64 HA ILE 9 HA ILE 9 1.326 0.953 0.110 65 HB ILE 9 HB ILE 9 -1.626 1.147 0.629 66 HG12 ILE 9 HG11 ILE 9 -0.530 3.324 0.886 67 HG13 ILE 9 HG12 ILE 9 -1.012 2.685 2.453 68 HG21 ILE 9 HG21 ILE 9 -0.604 -0.883 1.530 69 HG22 ILE 9 HG22 ILE 9 -1.116 0.211 2.814 70 HG23 ILE 9 HG23 ILE 9 0.589 0.096 2.380 71 HD11 ILE 9 HD11 ILE 9 1.178 3.711 2.565 72 HD12 ILE 9 HD12 ILE 9 1.767 2.628 1.304 73 HD13 ILE 9 HD13 ILE 9 1.286 1.978 2.872 74 H LEU 10 HN LEU 10 -1.460 0.531 -1.828 75 HA LEU 10 HA LEU 10 -2.475 -1.189 -2.869 76 HB2 LEU 10 HB2 LEU 10 -0.402 -0.787 -4.141 77 HB3 LEU 10 HB1 LEU 10 0.338 -2.127 -3.290 78 HG LEU 10 HG LEU 10 -1.133 -3.701 -4.340 79 HD11 LEU 10 HD11 LEU 10 -3.111 -2.022 -4.246 80 HD12 LEU 10 HD12 LEU 10 -3.040 -3.188 -5.565 81 HD13 LEU 10 HD13 LEU 10 -2.540 -1.519 -5.835 82 HD21 LEU 10 HD21 LEU 10 -0.143 -1.614 -6.251 83 HD22 LEU 10 HD22 LEU 10 -0.680 -3.222 -6.740 84 HD23 LEU 10 HD23 LEU 10 0.732 -3.040 -5.695 85 H GLY 11 HN GLY 11 -2.612 -3.567 -3.201 86 HA2 GLY 11 HA1 GLY 11 -3.279 -4.859 -0.873 87 HA3 GLY 11 HA2 GLY 11 -2.941 -5.643 -2.408 88 H GLY 12 HN GLY 12 -0.145 -4.486 -2.289 89 HA2 GLY 12 HA2 GLY 12 1.244 -5.380 -0.050 90 HA3 GLY 12 HA1 GLY 12 1.112 -6.750 -1.140 91 H VAL 13 HN VAL 13 1.351 -3.468 -2.337 92 HA VAL 13 HA VAL 13 3.568 -4.081 -3.966 93 HB VAL 13 HB VAL 13 1.875 -2.255 -4.388 94 HG11 VAL 13 HG11 VAL 13 2.907 -1.356 -1.939 95 HG12 VAL 13 HG12 VAL 13 1.667 -0.595 -2.935 96 HG13 VAL 13 HG13 VAL 13 3.365 -0.163 -3.152 97 HG21 VAL 13 HG21 VAL 13 3.484 -0.796 -5.511 98 HG22 VAL 13 HG22 VAL 13 3.895 -2.496 -5.738 99 HG23 VAL 13 HG23 VAL 13 4.795 -1.519 -4.578 100 H ASN 14 HN ASN 14 5.691 -3.115 -3.930 101 HA ASN 14 HA ASN 14 7.682 -2.586 -2.982 102 HB2 ASN 14 HB1 ASN 14 5.994 -1.499 -0.723 103 HB3 ASN 14 HB2 ASN 14 7.716 -1.207 -0.942 104 HD21 ASN 14 HD21 ASN 14 5.491 0.674 -0.848 105 HD22 ASN 14 HD22 ASN 14 5.547 1.553 -2.334 106 H LYS 15 HN LYS 15 5.585 -4.811 -1.727 107 HA LYS 15 HA LYS 15 5.760 -6.600 -0.335 108 HB2 LYS 15 HB1 LYS 15 8.700 -6.247 -0.945 109 HB3 LYS 15 HB2 LYS 15 7.973 -7.690 -0.252 110 HG2 LYS 15 HG2 LYS 15 7.330 -6.559 -2.969 111 HG3 LYS 15 HG1 LYS 15 8.419 -7.912 -2.655 112 HD2 LYS 15 HD2 LYS 15 5.496 -7.850 -1.909 113 HD3 LYS 15 HD1 LYS 15 6.149 -8.622 -3.355 114 HE2 LYS 15 HE2 LYS 15 7.505 -10.099 -1.952 115 HE3 LYS 15 HE1 LYS 15 6.846 -9.331 -0.508 116 HZ1 LYS 15 HZ1 LYS 15 5.711 -11.402 -1.000 117 HZ2 LYS 15 HZ2 LYS 15 5.279 -10.835 -2.533 118 HZ3 LYS 15 HZ3 LYS 15 4.645 -10.096 -1.150 119 H HIS 16 HN HIS 16 5.059 -5.737 1.598 120 HA HIS 16 HA HIS 16 7.103 -5.466 3.635 121 HB2 HIS 16 HB1 HIS 16 6.258 -3.318 4.475 122 HB3 HIS 16 HB2 HIS 16 6.876 -3.161 2.834 123 HD1 HIS 16 HD1 HIS 16 5.228 -2.485 1.010 124 HD2 HIS 16 HD2 HIS 16 3.444 -3.058 4.719 125 HE1 HIS 16 HE1 HIS 16 2.897 -1.571 0.784 126 HE2 HIS 16 HE2 HIS 16 1.835 -1.928 3.040 127 H SER 17 HN SER 17 5.960 -5.023 5.837 128 HA SER 17 HA SER 17 3.718 -6.903 5.982 129 HB2 SER 17 HB1 SER 17 5.531 -5.840 8.163 130 HB3 SER 17 HB2 SER 17 4.257 -7.038 8.391 131 HG SER 17 HG SER 17 6.394 -7.929 8.100 132 H THR 18 HN THR 18 4.699 -3.896 7.638 133 HA THR 18 HA THR 18 1.915 -2.981 7.471 134 HB THR 18 HB THR 18 2.037 -2.093 9.767 135 HG1 THR 18 HG1 THR 18 3.795 -2.957 11.092 136 HG21 THR 18 HG21 THR 18 1.009 -4.280 9.394 137 HG22 THR 18 HG22 THR 18 1.830 -4.230 10.954 138 HG23 THR 18 HG23 THR 18 2.579 -5.060 9.589 139 H SER 19 HN SER 19 2.279 -0.599 8.908 140 HA SER 19 HA SER 19 3.089 1.178 6.984 141 HB2 SER 19 HB1 SER 19 3.220 1.556 9.983 142 HB3 SER 19 HB2 SER 19 3.299 2.853 8.792 143 HG SER 19 HG SER 19 1.169 1.380 8.239 144 H ILE 20 HN ILE 20 4.946 2.365 6.557 145 HA ILE 20 HA ILE 20 7.417 1.460 7.852 146 HB ILE 20 HB ILE 20 8.537 1.348 5.686 147 HG12 ILE 20 HG12 ILE 20 5.779 1.800 4.521 148 HG13 ILE 20 HG11 ILE 20 7.097 2.967 4.495 149 HG21 ILE 20 HG21 ILE 20 6.071 -0.351 6.006 150 HG22 ILE 20 HG22 ILE 20 7.718 -0.717 6.527 151 HG23 ILE 20 HG23 ILE 20 7.326 -0.680 4.808 152 HD11 ILE 20 HD11 ILE 20 6.883 1.866 2.356 153 HD12 ILE 20 HD12 ILE 20 7.076 0.290 3.123 154 HD13 ILE 20 HD13 ILE 20 8.416 1.438 3.116 155 H GLY 21 HN GLY 21 9.312 2.898 6.869 156 HA2 GLY 21 HA2 GLY 21 8.605 5.585 6.171 157 HA3 GLY 21 HA1 GLY 21 9.070 5.446 7.860 158 H LYS 22 HN LYS 22 10.251 4.229 4.719 159 HA LYS 22 HA LYS 22 12.990 4.708 5.635 160 HB2 LYS 22 HB2 LYS 22 11.852 3.108 3.347 161 HB3 LYS 22 HB1 LYS 22 13.570 3.443 3.497 162 HG2 LYS 22 HG1 LYS 22 13.227 1.292 4.394 163 HG3 LYS 22 HG2 LYS 22 13.472 2.368 5.770 164 HD2 LYS 22 HD2 LYS 22 11.059 2.476 6.126 165 HD3 LYS 22 HD1 LYS 22 10.801 1.420 4.737 166 HE2 LYS 22 HE1 LYS 22 12.066 -0.354 5.861 167 HE3 LYS 22 HE2 LYS 22 12.299 0.703 7.254 168 HZ1 LYS 22 HZ1 LYS 22 9.684 -0.268 6.233 169 HZ2 LYS 22 HZ2 LYS 22 9.899 0.757 7.562 170 HZ3 LYS 22 HZ3 LYS 22 10.478 -0.832 7.617 Start of MODEL 15 1 H1 ACE 0 HA1 ACE 0 -14.065 2.458 0.862 2 H2 ACE 0 HA2 ACE 0 -14.226 0.874 1.617 3 H3 ACE 0 HA3 ACE 0 -13.457 0.992 0.036 4 H MET 1 HN MET 1 -11.634 2.789 0.113 5 HA MET 1 HA MET 1 -10.084 2.602 2.565 6 HB2 MET 1 HB1 MET 1 -9.425 0.640 1.224 7 HB3 MET 1 HB2 MET 1 -8.973 1.725 -0.089 8 HG2 MET 1 HG1 MET 1 -7.173 0.795 1.542 9 HG3 MET 1 HG2 MET 1 -7.084 2.466 0.970 10 HE1 MET 1 HE1 MET 1 -8.571 1.171 5.158 11 HE2 MET 1 HE2 MET 1 -7.926 0.058 3.951 12 HE3 MET 1 HE3 MET 1 -9.479 0.849 3.681 13 H ASP 2 HN ASP 2 -11.376 4.567 0.452 14 HA ASP 2 HA ASP 2 -10.914 6.727 -0.201 15 HB2 ASP 2 HB2 ASP 2 -9.192 6.223 2.158 16 HB3 ASP 2 HB1 ASP 2 -8.716 7.552 1.135 17 H TRP 3 HN TRP 3 -9.602 4.195 -1.026 18 HA TRP 3 HA TRP 3 -7.195 3.967 -1.656 19 HB2 TRP 3 HB1 TRP 3 -9.577 3.419 -3.165 20 HB3 TRP 3 HB2 TRP 3 -8.059 3.310 -4.040 21 HD1 TRP 3 HD1 TRP 3 -9.996 0.990 -2.999 22 HE1 TRP 3 HE1 TRP 3 -8.957 -1.044 -1.799 23 HE3 TRP 3 HE3 TRP 3 -5.781 3.210 -1.405 24 HZ2 TRP 3 HZ2 TRP 3 -6.584 -1.550 -0.321 25 HZ3 TRP 3 HZ3 TRP 3 -4.181 1.928 -0.083 26 HH2 TRP 3 HH2 TRP 3 -4.567 -0.398 0.444 27 H GLY 4 HN GLY 4 -5.887 4.258 -2.901 28 HA2 GLY 4 HA2 GLY 4 -5.060 5.584 -4.909 29 HA3 GLY 4 HA1 GLY 4 -5.429 6.970 -3.869 30 H THR 5 HN THR 5 -4.935 4.630 -1.859 31 HA THR 5 HA THR 5 -2.136 5.153 -1.352 32 HB THR 5 HB THR 5 -4.531 4.626 0.286 33 HG1 THR 5 HG1 THR 5 -3.832 6.594 0.691 34 HG21 THR 5 HG21 THR 5 -2.848 2.702 0.656 35 HG22 THR 5 HG22 THR 5 -3.494 3.542 2.067 36 HG23 THR 5 HG23 THR 5 -1.872 3.917 1.481 37 H LEU 6 HN LEU 6 -4.041 2.991 -2.842 38 HA LEU 6 HA LEU 6 -2.829 0.557 -1.944 39 HB2 LEU 6 HB1 LEU 6 -4.135 -0.528 -3.736 40 HB3 LEU 6 HB2 LEU 6 -5.080 0.388 -2.595 41 HG LEU 6 HG LEU 6 -4.519 1.170 -5.435 42 HD11 LEU 6 HD11 LEU 6 -7.113 0.711 -4.035 43 HD12 LEU 6 HD12 LEU 6 -6.237 -0.620 -4.815 44 HD13 LEU 6 HD13 LEU 6 -6.809 0.747 -5.779 45 HD21 LEU 6 HD21 LEU 6 -6.099 2.611 -3.344 46 HD22 LEU 6 HD22 LEU 6 -5.998 3.041 -5.060 47 HD23 LEU 6 HD23 LEU 6 -4.565 3.165 -4.040 48 H GLN 7 HN GLN 7 -3.096 1.424 -5.296 49 HA GLN 7 HA GLN 7 -1.078 0.425 -6.544 50 HB2 GLN 7 HB1 GLN 7 -0.528 3.083 -7.143 51 HB3 GLN 7 HB2 GLN 7 -1.687 2.043 -7.971 52 HG2 GLN 7 HG1 GLN 7 -2.873 3.977 -7.393 53 HG3 GLN 7 HG2 GLN 7 -3.322 2.760 -6.190 54 HE21 GLN 7 HE21 GLN 7 -2.638 2.942 -4.123 55 HE22 GLN 7 HE22 GLN 7 -1.946 4.369 -3.471 56 H THR 8 HN THR 8 -0.627 2.727 -3.936 57 HA THR 8 HA THR 8 2.273 2.669 -4.212 58 HB THR 8 HB THR 8 1.352 4.874 -3.924 59 HG1 THR 8 HG1 THR 8 2.561 4.005 -1.488 60 HG21 THR 8 HG21 THR 8 -0.344 3.466 -2.087 61 HG22 THR 8 HG22 THR 8 -0.523 5.103 -2.746 62 HG23 THR 8 HG23 THR 8 0.416 4.844 -1.273 63 H ILE 9 HN ILE 9 -0.255 1.889 -1.964 64 HA ILE 9 HA ILE 9 1.630 0.315 -0.389 65 HB ILE 9 HB ILE 9 -0.740 1.691 0.818 66 HG12 ILE 9 HG11 ILE 9 0.818 3.391 -0.048 67 HG13 ILE 9 HG12 ILE 9 0.790 3.383 1.711 68 HG21 ILE 9 HG21 ILE 9 1.687 0.359 2.008 69 HG22 ILE 9 HG22 ILE 9 0.014 -0.191 2.101 70 HG23 ILE 9 HG23 ILE 9 0.506 1.281 2.938 71 HD11 ILE 9 HD11 ILE 9 3.049 3.626 0.683 72 HD12 ILE 9 HD12 ILE 9 2.887 1.977 0.084 73 HD13 ILE 9 HD13 ILE 9 2.891 2.289 1.819 74 H LEU 10 HN LEU 10 -0.050 -0.343 -2.565 75 HA LEU 10 HA LEU 10 -2.444 -1.438 -2.334 76 HB2 LEU 10 HB2 LEU 10 -1.027 -1.541 -4.307 77 HB3 LEU 10 HB1 LEU 10 -0.124 -2.852 -3.590 78 HG LEU 10 HG LEU 10 -1.992 -4.338 -3.756 79 HD11 LEU 10 HD11 LEU 10 -3.586 -2.175 -3.391 80 HD12 LEU 10 HD12 LEU 10 -4.156 -3.738 -3.969 81 HD13 LEU 10 HD13 LEU 10 -3.792 -2.451 -5.119 82 HD21 LEU 10 HD21 LEU 10 -1.628 -2.649 -6.204 83 HD22 LEU 10 HD22 LEU 10 -2.452 -4.210 -6.206 84 HD23 LEU 10 HD23 LEU 10 -0.741 -4.114 -5.781 85 H GLY 11 HN GLY 11 -3.332 -3.445 -1.978 86 HA2 GLY 11 HA1 GLY 11 -2.922 -4.544 0.518 87 HA3 GLY 11 HA2 GLY 11 -3.812 -5.280 -0.802 88 H GLY 12 HN GLY 12 -1.204 -5.197 -2.406 89 HA2 GLY 12 HA1 GLY 12 0.094 -7.483 -1.059 90 HA3 GLY 12 HA2 GLY 12 -0.327 -7.546 -2.762 91 H VAL 13 HN VAL 13 0.476 -4.622 -2.992 92 HA VAL 13 HA VAL 13 3.017 -4.994 -4.027 93 HB VAL 13 HB VAL 13 1.385 -3.003 -4.331 94 HG11 VAL 13 HG11 VAL 13 2.012 -2.589 -1.728 95 HG12 VAL 13 HG12 VAL 13 1.348 -1.365 -2.811 96 HG13 VAL 13 HG13 VAL 13 3.088 -1.450 -2.533 97 HG21 VAL 13 HG21 VAL 13 3.223 -1.581 -5.101 98 HG22 VAL 13 HG22 VAL 13 3.483 -3.265 -5.555 99 HG23 VAL 13 HG23 VAL 13 4.370 -2.570 -4.199 100 H ASN 14 HN ASN 14 5.083 -4.099 -3.341 101 HA ASN 14 HA ASN 14 5.390 -4.147 -0.411 102 HB2 ASN 14 HB1 ASN 14 7.676 -5.104 -0.833 103 HB3 ASN 14 HB2 ASN 14 6.346 -6.172 -1.268 104 HD21 ASN 14 HD21 ASN 14 8.950 -4.827 -4.054 105 HD22 ASN 14 HD22 ASN 14 8.984 -4.267 -2.420 106 H LYS 15 HN LYS 15 5.749 -2.128 0.223 107 HA LYS 15 HA LYS 15 7.912 -0.630 -1.061 108 HB2 LYS 15 HB1 LYS 15 5.165 0.489 -0.477 109 HB3 LYS 15 HB2 LYS 15 6.560 1.458 -0.932 110 HG2 LYS 15 HG2 LYS 15 5.360 -0.715 -2.637 111 HG3 LYS 15 HG1 LYS 15 5.011 1.007 -2.804 112 HD2 LYS 15 HD1 LYS 15 7.764 -0.205 -3.032 113 HD3 LYS 15 HD2 LYS 15 6.721 0.168 -4.405 114 HE2 LYS 15 HE2 LYS 15 6.701 2.527 -3.743 115 HE3 LYS 15 HE1 LYS 15 7.755 2.149 -2.381 116 HZ1 LYS 15 HZ1 LYS 15 8.444 1.788 -5.247 117 HZ2 LYS 15 HZ2 LYS 15 9.456 1.436 -3.939 118 HZ3 LYS 15 HZ3 LYS 15 9.003 3.035 -4.249 119 H HIS 16 HN HIS 16 6.323 -1.716 1.693 120 HA HIS 16 HA HIS 16 6.938 0.303 3.559 121 HB2 HIS 16 HB2 HIS 16 6.627 -2.674 3.992 122 HB3 HIS 16 HB1 HIS 16 6.615 -1.455 5.262 123 HD1 HIS 16 HD1 HIS 16 4.495 -2.971 2.614 124 HD2 HIS 16 HD2 HIS 16 4.269 0.122 5.380 125 HE1 HIS 16 HE1 HIS 16 2.069 -2.313 2.689 126 HE2 HIS 16 HE2 HIS 16 1.954 -0.437 4.369 127 H SER 17 HN SER 17 8.518 -2.885 3.354 128 HA SER 17 HA SER 17 11.142 -1.673 3.429 129 HB2 SER 17 HB1 SER 17 10.177 -3.392 5.727 130 HB3 SER 17 HB2 SER 17 11.839 -2.852 5.488 131 HG SER 17 HG SER 17 9.571 -1.194 5.895 132 H THR 18 HN THR 18 9.973 -4.857 4.488 133 HA THR 18 HA THR 18 11.033 -6.061 2.043 134 HB THR 18 HB THR 18 12.166 -7.848 3.373 135 HG1 THR 18 HG1 THR 18 12.428 -7.592 5.544 136 HG21 THR 18 HG21 THR 18 13.196 -5.043 3.801 137 HG22 THR 18 HG22 THR 18 13.468 -6.042 2.375 138 HG23 THR 18 HG23 THR 18 14.155 -6.517 3.928 139 H SER 19 HN SER 19 9.835 -7.197 5.209 140 HA SER 19 HA SER 19 8.110 -9.103 3.862 141 HB2 SER 19 HB2 SER 19 7.580 -9.876 6.163 142 HB3 SER 19 HB1 SER 19 9.310 -9.883 5.824 143 HG SER 19 HG SER 19 9.437 -7.871 6.932 144 H ILE 20 HN ILE 20 5.855 -9.202 4.115 145 HA ILE 20 HA ILE 20 4.540 -6.849 5.250 146 HB ILE 20 HB ILE 20 3.098 -6.647 3.271 147 HG12 ILE 20 HG12 ILE 20 5.017 -8.622 2.017 148 HG13 ILE 20 HG11 ILE 20 3.346 -8.966 2.453 149 HG21 ILE 20 HG21 ILE 20 6.061 -6.370 2.818 150 HG22 ILE 20 HG22 ILE 20 4.945 -5.145 3.426 151 HG23 ILE 20 HG23 ILE 20 4.838 -5.681 1.749 152 HD11 ILE 20 HD11 ILE 20 2.605 -7.261 0.843 153 HD12 ILE 20 HD12 ILE 20 3.510 -8.574 0.089 154 HD13 ILE 20 HD13 ILE 20 4.286 -7.014 0.367 155 H GLY 21 HN GLY 21 4.826 -9.845 5.772 156 HA2 GLY 21 HA1 GLY 21 2.123 -10.254 6.630 157 HA3 GLY 21 HA2 GLY 21 2.547 -11.289 5.274 158 H LYS 22 HN LYS 22 4.710 -12.472 5.588 159 HA LYS 22 HA LYS 22 4.722 -13.566 8.316 160 HB2 LYS 22 HB1 LYS 22 5.837 -15.564 7.206 161 HB3 LYS 22 HB2 LYS 22 4.143 -15.299 6.825 162 HG2 LYS 22 HG1 LYS 22 6.258 -14.193 5.031 163 HG3 LYS 22 HG2 LYS 22 5.824 -15.901 4.942 164 HD2 LYS 22 HD2 LYS 22 3.847 -13.635 4.713 165 HD3 LYS 22 HD1 LYS 22 4.589 -14.449 3.334 166 HE2 LYS 22 HE2 LYS 22 2.871 -15.747 5.447 167 HE3 LYS 22 HE1 LYS 22 2.367 -15.346 3.806 168 HZ1 LYS 22 HZ1 LYS 22 4.515 -17.264 4.531 169 HZ2 LYS 22 HZ2 LYS 22 4.025 -16.883 2.957 170 HZ3 LYS 22 HZ3 LYS 22 2.960 -17.677 4.005 Start of MODEL 16 1 H1 ACE 0 HA1 ACE 0 -14.881 0.744 -0.498 2 H2 ACE 0 HA2 ACE 0 -14.618 -0.989 -0.328 3 H3 ACE 0 HA3 ACE 0 -13.833 -0.134 -1.653 4 H MET 1 HN MET 1 -12.165 1.368 -1.171 5 HA MET 1 HA MET 1 -11.000 1.142 1.502 6 HB2 MET 1 HB1 MET 1 -9.904 -0.523 0.048 7 HB3 MET 1 HB2 MET 1 -9.437 0.781 -1.043 8 HG2 MET 1 HG1 MET 1 -7.761 -0.143 0.724 9 HG3 MET 1 HG2 MET 1 -7.826 1.588 0.364 10 HE1 MET 1 HE1 MET 1 -6.526 2.081 2.640 11 HE2 MET 1 HE2 MET 1 -6.459 0.352 2.983 12 HE3 MET 1 HE3 MET 1 -7.036 1.474 4.215 13 H ASP 2 HN ASP 2 -12.270 3.200 -0.538 14 HA ASP 2 HA ASP 2 -12.036 5.470 -0.858 15 HB2 ASP 2 HB2 ASP 2 -10.583 4.867 1.656 16 HB3 ASP 2 HB1 ASP 2 -10.174 6.373 0.877 17 H TRP 3 HN TRP 3 -10.282 3.256 -1.769 18 HA TRP 3 HA TRP 3 -7.803 3.417 -2.058 19 HB2 TRP 3 HB1 TRP 3 -9.864 2.787 -3.958 20 HB3 TRP 3 HB2 TRP 3 -8.244 2.984 -4.603 21 HD1 TRP 3 HD1 TRP 3 -9.954 0.326 -4.139 22 HE1 TRP 3 HE1 TRP 3 -8.807 -1.709 -3.042 23 HE3 TRP 3 HE3 TRP 3 -6.345 2.811 -1.685 24 HZ2 TRP 3 HZ2 TRP 3 -6.604 -2.114 -1.295 25 HZ3 TRP 3 HZ3 TRP 3 -4.768 1.569 -0.296 26 HH2 TRP 3 HH2 TRP 3 -4.891 -0.839 -0.107 27 H GLY 4 HN GLY 4 -6.399 4.036 -3.055 28 HA2 GLY 4 HA2 GLY 4 -5.516 5.715 -4.750 29 HA3 GLY 4 HA1 GLY 4 -6.212 6.890 -3.621 30 H THR 5 HN THR 5 -5.661 4.387 -1.842 31 HA THR 5 HA THR 5 -3.056 5.176 -0.868 32 HB THR 5 HB THR 5 -5.544 4.125 0.317 33 HG1 THR 5 HG1 THR 5 -3.468 5.804 1.322 34 HG21 THR 5 HG21 THR 5 -3.661 2.404 0.715 35 HG22 THR 5 HG22 THR 5 -4.599 2.962 2.102 36 HG23 THR 5 HG23 THR 5 -2.987 3.618 1.804 37 H LEU 6 HN LEU 6 -4.417 3.021 -2.872 38 HA LEU 6 HA LEU 6 -3.006 0.660 -2.085 39 HB2 LEU 6 HB1 LEU 6 -3.889 -0.336 -4.164 40 HB3 LEU 6 HB2 LEU 6 -5.099 0.294 -3.078 41 HG LEU 6 HG LEU 6 -4.285 1.514 -5.695 42 HD11 LEU 6 HD11 LEU 6 -6.948 0.545 -4.759 43 HD12 LEU 6 HD12 LEU 6 -5.793 -0.546 -5.550 44 HD13 LEU 6 HD13 LEU 6 -6.426 0.856 -6.423 45 HD21 LEU 6 HD21 LEU 6 -6.315 2.449 -3.706 46 HD22 LEU 6 HD22 LEU 6 -6.061 3.112 -5.330 47 HD23 LEU 6 HD23 LEU 6 -4.802 3.283 -4.108 48 H GLN 7 HN GLN 7 -2.945 2.004 -5.283 49 HA GLN 7 HA GLN 7 -0.646 1.381 -6.275 50 HB2 GLN 7 HB1 GLN 7 -0.406 4.114 -6.618 51 HB3 GLN 7 HB2 GLN 7 -1.314 3.023 -7.662 52 HG2 GLN 7 HG1 GLN 7 -2.739 4.825 -7.079 53 HG3 GLN 7 HG2 GLN 7 -3.264 3.412 -6.157 54 HE21 GLN 7 HE21 GLN 7 -2.916 3.326 -3.976 55 HE22 GLN 7 HE22 GLN 7 -2.490 4.696 -3.034 56 H THR 8 HN THR 8 -0.934 3.372 -3.419 57 HA THR 8 HA THR 8 1.940 3.786 -3.273 58 HB THR 8 HB THR 8 0.533 5.728 -2.781 59 HG1 THR 8 HG1 THR 8 2.555 4.868 -1.376 60 HG21 THR 8 HG21 THR 8 -0.968 3.817 -1.381 61 HG22 THR 8 HG22 THR 8 -1.295 5.549 -1.530 62 HG23 THR 8 HG23 THR 8 -0.349 4.944 -0.168 63 H ILE 9 HN ILE 9 -0.644 2.168 -1.624 64 HA ILE 9 HA ILE 9 1.300 0.828 0.081 65 HB ILE 9 HB ILE 9 -1.642 1.093 0.621 66 HG12 ILE 9 HG11 ILE 9 -0.494 3.244 0.868 67 HG13 ILE 9 HG12 ILE 9 -0.981 2.617 2.439 68 HG21 ILE 9 HG21 ILE 9 -0.662 -0.961 1.515 69 HG22 ILE 9 HG22 ILE 9 -1.136 0.146 2.804 70 HG23 ILE 9 HG23 ILE 9 0.563 -0.009 2.355 71 HD11 ILE 9 HD11 ILE 9 1.302 1.857 2.843 72 HD12 ILE 9 HD12 ILE 9 1.234 3.592 2.533 73 HD13 ILE 9 HD13 ILE 9 1.789 2.493 1.271 74 H LEU 10 HN LEU 10 -1.511 0.478 -1.834 75 HA LEU 10 HA LEU 10 -2.575 -1.207 -2.877 76 HB2 LEU 10 HB2 LEU 10 -0.511 -0.877 -4.165 77 HB3 LEU 10 HB1 LEU 10 0.209 -2.221 -3.301 78 HG LEU 10 HG LEU 10 -1.308 -3.777 -4.318 79 HD11 LEU 10 HD11 LEU 10 -3.229 -2.015 -4.248 80 HD12 LEU 10 HD12 LEU 10 -3.216 -3.241 -5.515 81 HD13 LEU 10 HD13 LEU 10 -2.661 -1.604 -5.866 82 HD21 LEU 10 HD21 LEU 10 -0.268 -1.748 -6.263 83 HD22 LEU 10 HD22 LEU 10 -0.853 -3.346 -6.728 84 HD23 LEU 10 HD23 LEU 10 0.568 -3.191 -5.691 85 H GLY 11 HN GLY 11 -2.878 -3.534 -3.177 86 HA2 GLY 11 HA1 GLY 11 -3.523 -4.803 -0.826 87 HA3 GLY 11 HA2 GLY 11 -3.315 -5.590 -2.383 88 H GLY 12 HN GLY 12 -0.446 -4.655 -2.421 89 HA2 GLY 12 HA2 GLY 12 0.966 -5.694 -0.242 90 HA3 GLY 12 HA1 GLY 12 0.713 -7.004 -1.382 91 H VAL 13 HN VAL 13 1.215 -3.622 -2.271 92 HA VAL 13 HA VAL 13 3.361 -4.355 -4.008 93 HB VAL 13 HB VAL 13 1.696 -2.481 -4.415 94 HG11 VAL 13 HG11 VAL 13 2.681 -1.609 -2.003 95 HG12 VAL 13 HG12 VAL 13 1.650 -0.691 -3.101 96 HG13 VAL 13 HG13 VAL 13 3.405 -0.506 -3.172 97 HG21 VAL 13 HG21 VAL 13 3.673 -2.836 -5.816 98 HG22 VAL 13 HG22 VAL 13 4.629 -1.843 -4.716 99 HG23 VAL 13 HG23 VAL 13 3.307 -1.121 -5.634 100 H ASN 14 HN ASN 14 3.480 -4.405 -0.895 101 HA ASN 14 HA ASN 14 5.615 -2.653 -0.207 102 HB2 ASN 14 HB2 ASN 14 4.619 -5.154 1.173 103 HB3 ASN 14 HB1 ASN 14 5.750 -3.997 1.868 104 HD21 ASN 14 HD21 ASN 14 1.771 -3.231 1.753 105 HD22 ASN 14 HD22 ASN 14 2.462 -4.581 0.925 106 H LYS 15 HN LYS 15 7.483 -2.842 -1.292 107 HA LYS 15 HA LYS 15 9.013 -5.277 -0.959 108 HB2 LYS 15 HB2 LYS 15 9.556 -5.464 -3.365 109 HB3 LYS 15 HB1 LYS 15 7.858 -5.773 -3.029 110 HG2 LYS 15 HG2 LYS 15 7.307 -3.500 -3.756 111 HG3 LYS 15 HG1 LYS 15 9.010 -3.213 -4.117 112 HD2 LYS 15 HD2 LYS 15 7.870 -3.766 -6.160 113 HD3 LYS 15 HD1 LYS 15 8.935 -5.104 -5.726 114 HE2 LYS 15 HE2 LYS 15 6.760 -5.911 -6.492 115 HE3 LYS 15 HE1 LYS 15 7.042 -6.328 -4.802 116 HZ1 LYS 15 HZ1 LYS 15 4.797 -5.518 -5.148 117 HZ2 LYS 15 HZ2 LYS 15 5.387 -4.059 -5.768 118 HZ3 LYS 15 HZ3 LYS 15 5.658 -4.460 -4.147 119 H HIS 16 HN HIS 16 8.777 -2.016 -0.972 120 HA HIS 16 HA HIS 16 11.484 -1.449 -1.875 121 HB2 HIS 16 HB2 HIS 16 10.896 0.911 -1.342 122 HB3 HIS 16 HB1 HIS 16 9.783 0.160 -2.482 123 HD1 HIS 16 HD1 HIS 16 7.353 -0.089 -1.771 124 HD2 HIS 16 HD2 HIS 16 9.803 1.408 1.234 125 HE1 HIS 16 HE1 HIS 16 5.794 0.705 0.036 126 HE2 HIS 16 HE2 HIS 16 7.298 1.607 1.845 127 H SER 17 HN SER 17 12.878 -0.063 -0.453 128 HA SER 17 HA SER 17 12.536 -0.592 2.403 129 HB2 SER 17 HB2 SER 17 14.872 -1.373 2.607 130 HB3 SER 17 HB1 SER 17 13.913 -2.445 1.588 131 HG SER 17 HG SER 17 15.950 -0.657 0.876 132 H THR 18 HN THR 18 14.584 0.932 -0.071 133 HA THR 18 HA THR 18 14.811 3.277 1.696 134 HB THR 18 HB THR 18 17.066 3.695 0.791 135 HG1 THR 18 HG1 THR 18 17.042 1.073 -0.276 136 HG21 THR 18 HG21 THR 18 16.842 2.477 2.898 137 HG22 THR 18 HG22 THR 18 18.232 1.895 1.984 138 HG23 THR 18 HG23 THR 18 16.741 0.954 2.017 139 H SER 19 HN SER 19 16.089 5.001 -0.005 140 HA SER 19 HA SER 19 15.679 6.523 -1.647 141 HB2 SER 19 HB2 SER 19 14.575 4.103 -3.097 142 HB3 SER 19 HB1 SER 19 14.972 5.649 -3.848 143 HG SER 19 HG SER 19 17.029 5.167 -3.770 144 H ILE 20 HN ILE 20 13.308 6.000 -3.539 145 HA ILE 20 HA ILE 20 11.253 6.927 -3.771 146 HB ILE 20 HB ILE 20 9.546 5.814 -2.649 147 HG12 ILE 20 HG12 ILE 20 11.438 5.197 -0.372 148 HG13 ILE 20 HG11 ILE 20 10.238 6.484 -0.342 149 HG21 ILE 20 HG21 ILE 20 11.887 3.940 -2.392 150 HG22 ILE 20 HG22 ILE 20 11.094 4.344 -3.917 151 HG23 ILE 20 HG23 ILE 20 10.196 3.509 -2.650 152 HD11 ILE 20 HD11 ILE 20 9.670 3.540 -0.574 153 HD12 ILE 20 HD12 ILE 20 8.461 4.825 -0.569 154 HD13 ILE 20 HD13 ILE 20 9.452 4.540 0.862 155 H GLY 21 HN GLY 21 9.286 7.781 -2.091 156 HA2 GLY 21 HA1 GLY 21 8.650 9.454 -0.628 157 HA3 GLY 21 HA2 GLY 21 10.308 9.532 -0.056 158 H LYS 22 HN LYS 22 9.076 11.867 -0.247 159 HA LYS 22 HA LYS 22 9.558 13.054 -2.853 160 HB2 LYS 22 HB2 LYS 22 8.464 14.157 -0.265 161 HB3 LYS 22 HB1 LYS 22 8.759 15.160 -1.678 162 HG2 LYS 22 HG1 LYS 22 6.467 14.623 -1.708 163 HG3 LYS 22 HG2 LYS 22 7.223 13.624 -2.952 164 HD2 LYS 22 HD2 LYS 22 7.241 11.719 -1.435 165 HD3 LYS 22 HD1 LYS 22 6.528 12.712 -0.162 166 HE2 LYS 22 HE2 LYS 22 4.539 13.054 -1.546 167 HE3 LYS 22 HE1 LYS 22 5.251 12.058 -2.814 168 HZ1 LYS 22 HZ1 LYS 22 5.250 10.181 -1.291 169 HZ2 LYS 22 HZ2 LYS 22 3.687 10.798 -1.480 170 HZ3 LYS 22 HZ3 LYS 22 4.565 11.138 -0.075 Start of MODEL 17 1 H1 ACE 0 HA1 ACE 0 -15.069 -0.109 -2.455 2 H2 ACE 0 HA2 ACE 0 -13.840 0.171 -3.686 3 H3 ACE 0 HA3 ACE 0 -14.706 1.551 -3.016 4 H MET 1 HN MET 1 -12.266 2.061 -2.806 5 HA MET 1 HA MET 1 -11.577 1.569 -0.024 6 HB2 MET 1 HB1 MET 1 -10.355 -0.138 -1.321 7 HB3 MET 1 HB2 MET 1 -9.598 1.154 -2.251 8 HG2 MET 1 HG1 MET 1 -8.354 0.051 -0.246 9 HG3 MET 1 HG2 MET 1 -8.221 1.790 -0.541 10 HE1 MET 1 HE1 MET 1 -7.467 0.372 2.235 11 HE2 MET 1 HE2 MET 1 -8.176 1.508 3.383 12 HE3 MET 1 HE3 MET 1 -7.333 2.108 1.955 13 H ASP 2 HN ASP 2 -12.290 3.778 -2.173 14 HA ASP 2 HA ASP 2 -11.834 6.029 -2.349 15 HB2 ASP 2 HB2 ASP 2 -10.922 5.243 0.361 16 HB3 ASP 2 HB1 ASP 2 -10.265 6.733 -0.265 17 H TRP 3 HN TRP 3 -10.110 3.709 -3.016 18 HA TRP 3 HA TRP 3 -7.615 3.679 -2.839 19 HB2 TRP 3 HB1 TRP 3 -9.329 3.266 -5.108 20 HB3 TRP 3 HB2 TRP 3 -7.607 3.353 -5.438 21 HD1 TRP 3 HD1 TRP 3 -9.564 0.826 -5.406 22 HE1 TRP 3 HE1 TRP 3 -8.794 -1.323 -4.202 23 HE3 TRP 3 HE3 TRP 3 -6.299 2.949 -2.231 24 HZ2 TRP 3 HZ2 TRP 3 -6.989 -1.949 -2.100 25 HZ3 TRP 3 HZ3 TRP 3 -5.105 1.547 -0.630 26 HH2 TRP 3 HH2 TRP 3 -5.437 -0.848 -0.567 27 H GLY 4 HN GLY 4 -6.008 4.209 -3.540 28 HA2 GLY 4 HA2 GLY 4 -4.706 5.858 -4.973 29 HA3 GLY 4 HA1 GLY 4 -5.509 7.054 -3.943 30 H THR 5 HN THR 5 -5.485 4.467 -2.199 31 HA THR 5 HA THR 5 -3.054 5.021 -0.732 32 HB THR 5 HB THR 5 -5.789 4.140 -0.067 33 HG1 THR 5 HG1 THR 5 -4.340 5.333 1.898 34 HG21 THR 5 HG21 THR 5 -4.145 2.264 0.598 35 HG22 THR 5 HG22 THR 5 -5.280 2.858 1.812 36 HG23 THR 5 HG23 THR 5 -3.597 3.389 1.841 37 H LEU 6 HN LEU 6 -4.174 3.034 -3.038 38 HA LEU 6 HA LEU 6 -3.109 0.550 -2.101 39 HB2 LEU 6 HB1 LEU 6 -3.663 -0.319 -4.346 40 HB3 LEU 6 HB2 LEU 6 -5.004 0.376 -3.476 41 HG LEU 6 HG LEU 6 -3.632 1.596 -5.847 42 HD11 LEU 6 HD11 LEU 6 -6.487 0.821 -5.455 43 HD12 LEU 6 HD12 LEU 6 -5.290 -0.341 -6.061 44 HD13 LEU 6 HD13 LEU 6 -5.642 1.127 -6.981 45 HD21 LEU 6 HD21 LEU 6 -5.922 2.637 -4.228 46 HD22 LEU 6 HD22 LEU 6 -5.321 3.320 -5.750 47 HD23 LEU 6 HD23 LEU 6 -4.304 3.357 -4.309 48 H GLN 7 HN GLN 7 -2.359 1.961 -5.181 49 HA GLN 7 HA GLN 7 0.034 1.189 -5.756 50 HB2 GLN 7 HB1 GLN 7 0.530 3.904 -5.940 51 HB3 GLN 7 HB2 GLN 7 -0.243 2.915 -7.176 52 HG2 GLN 7 HG1 GLN 7 -1.620 4.806 -6.794 53 HG3 GLN 7 HG2 GLN 7 -2.407 3.415 -6.040 54 HE21 GLN 7 HE21 GLN 7 -2.476 3.246 -3.836 55 HE22 GLN 7 HE22 GLN 7 -2.136 4.555 -2.780 56 H THR 8 HN THR 8 -0.635 3.122 -2.924 57 HA THR 8 HA THR 8 2.185 3.306 -2.235 58 HB THR 8 HB THR 8 0.849 5.338 -1.935 59 HG1 THR 8 HG1 THR 8 1.773 5.808 -0.008 60 HG21 THR 8 HG21 THR 8 -1.014 3.515 -0.909 61 HG22 THR 8 HG22 THR 8 -1.181 5.272 -1.034 62 HG23 THR 8 HG23 THR 8 -0.544 4.549 0.445 63 H ILE 9 HN ILE 9 -0.769 1.850 -1.158 64 HA ILE 9 HA ILE 9 0.719 0.322 0.824 65 HB ILE 9 HB ILE 9 -2.245 0.808 0.816 66 HG12 ILE 9 HG11 ILE 9 -1.000 2.844 1.376 67 HG13 ILE 9 HG12 ILE 9 -1.830 2.212 2.793 68 HG21 ILE 9 HG21 ILE 9 -0.483 -0.577 2.830 69 HG22 ILE 9 HG22 ILE 9 -1.686 -1.337 1.787 70 HG23 ILE 9 HG23 ILE 9 -2.196 -0.217 3.050 71 HD11 ILE 9 HD11 ILE 9 0.265 1.246 3.588 72 HD12 ILE 9 HD12 ILE 9 0.393 2.989 3.357 73 HD13 ILE 9 HD13 ILE 9 1.095 1.888 2.171 74 H LEU 10 HN LEU 10 -1.698 0.241 -1.595 75 HA LEU 10 HA LEU 10 -2.666 -1.336 -2.880 76 HB2 LEU 10 HB2 LEU 10 -0.367 -1.100 -3.744 77 HB3 LEU 10 HB1 LEU 10 0.079 -2.535 -2.844 78 HG LEU 10 HG LEU 10 -1.311 -3.919 -4.219 79 HD11 LEU 10 HD11 LEU 10 -3.116 -2.063 -4.382 80 HD12 LEU 10 HD12 LEU 10 -2.914 -3.179 -5.731 81 HD13 LEU 10 HD13 LEU 10 -2.228 -1.558 -5.819 82 HD21 LEU 10 HD21 LEU 10 0.183 -1.872 -5.820 83 HD22 LEU 10 HD22 LEU 10 -0.394 -3.407 -6.473 84 HD23 LEU 10 HD23 LEU 10 0.820 -3.391 -5.189 85 H GLY 11 HN GLY 11 -2.942 -3.687 -3.348 86 HA2 GLY 11 HA1 GLY 11 -4.141 -4.979 -1.247 87 HA3 GLY 11 HA2 GLY 11 -3.584 -5.748 -2.724 88 H GLY 12 HN GLY 12 -0.778 -4.836 -2.024 89 HA2 GLY 12 HA2 GLY 12 0.090 -5.908 0.386 90 HA3 GLY 12 HA1 GLY 12 0.049 -7.237 -0.761 91 H VAL 13 HN VAL 13 0.785 -3.962 -1.765 92 HA VAL 13 HA VAL 13 3.203 -4.739 -2.983 93 HB VAL 13 HB VAL 13 1.799 -2.764 -3.656 94 HG11 VAL 13 HG11 VAL 13 2.592 -1.950 -1.018 95 HG12 VAL 13 HG12 VAL 13 1.352 -1.272 -2.071 96 HG13 VAL 13 HG13 VAL 13 3.027 -0.733 -2.215 97 HG21 VAL 13 HG21 VAL 13 4.747 -2.289 -3.227 98 HG22 VAL 13 HG22 VAL 13 3.718 -1.414 -4.362 99 HG23 VAL 13 HG23 VAL 13 4.017 -3.137 -4.591 100 H ASN 14 HN ASN 14 5.365 -4.137 -2.499 101 HA ASN 14 HA ASN 14 5.935 -3.163 0.181 102 HB2 ASN 14 HB2 ASN 14 5.710 -5.600 0.474 103 HB3 ASN 14 HB1 ASN 14 6.927 -5.858 -0.771 104 HD21 ASN 14 HD21 ASN 14 8.432 -3.901 2.458 105 HD22 ASN 14 HD22 ASN 14 7.073 -3.286 1.587 106 H LYS 15 HN LYS 15 6.783 -3.747 -3.078 107 HA LYS 15 HA LYS 15 9.519 -2.796 -2.724 108 HB2 LYS 15 HB2 LYS 15 9.727 -3.247 -5.164 109 HB3 LYS 15 HB1 LYS 15 9.274 -4.660 -4.221 110 HG2 LYS 15 HG2 LYS 15 6.941 -4.358 -4.898 111 HG3 LYS 15 HG1 LYS 15 7.411 -2.955 -5.860 112 HD2 LYS 15 HD2 LYS 15 8.864 -4.376 -7.223 113 HD3 LYS 15 HD1 LYS 15 8.390 -5.779 -6.264 114 HE2 LYS 15 HE2 LYS 15 6.067 -5.473 -6.967 115 HE3 LYS 15 HE1 LYS 15 6.543 -4.074 -7.930 116 HZ1 LYS 15 HZ1 LYS 15 7.944 -5.521 -9.269 117 HZ2 LYS 15 HZ2 LYS 15 6.337 -6.051 -9.295 118 HZ3 LYS 15 HZ3 LYS 15 7.478 -6.862 -8.347 119 H HIS 16 HN HIS 16 10.084 -0.746 -2.988 120 HA HIS 16 HA HIS 16 8.526 0.983 -4.753 121 HB2 HIS 16 HB2 HIS 16 9.042 1.549 -1.831 122 HB3 HIS 16 HB1 HIS 16 8.557 2.786 -2.985 123 HD1 HIS 16 HD1 HIS 16 7.242 -0.036 -0.971 124 HD2 HIS 16 HD2 HIS 16 5.884 2.563 -3.915 125 HE1 HIS 16 HE1 HIS 16 4.738 -0.268 -0.970 126 HE2 HIS 16 HE2 HIS 16 3.937 1.314 -2.759 127 H SER 17 HN SER 17 11.127 1.328 -2.334 128 HA SER 17 HA SER 17 13.119 1.789 -4.339 129 HB2 SER 17 HB2 SER 17 12.018 3.978 -4.396 130 HB3 SER 17 HB1 SER 17 12.216 4.136 -2.651 131 HG SER 17 HG SER 17 13.929 4.807 -4.553 132 H THR 18 HN THR 18 12.535 2.887 -0.993 133 HA THR 18 HA THR 18 15.119 1.751 -0.220 134 HB THR 18 HB THR 18 14.829 3.005 1.886 135 HG1 THR 18 HG1 THR 18 12.281 3.167 1.000 136 HG21 THR 18 HG21 THR 18 14.418 4.649 -0.614 137 HG22 THR 18 HG22 THR 18 15.963 4.094 0.030 138 HG23 THR 18 HG23 THR 18 15.005 5.271 0.928 139 H SER 19 HN SER 19 14.859 1.179 2.379 140 HA SER 19 HA SER 19 13.391 -1.288 2.334 141 HB2 SER 19 HB2 SER 19 14.787 -0.040 4.693 142 HB3 SER 19 HB1 SER 19 14.404 -1.744 4.458 143 HG SER 19 HG SER 19 16.119 -1.967 3.252 144 H ILE 20 HN ILE 20 12.359 1.701 2.685 145 HA ILE 20 HA ILE 20 10.673 2.805 3.734 146 HB ILE 20 HB ILE 20 8.600 1.797 3.481 147 HG12 ILE 20 HG12 ILE 20 9.901 -0.922 3.768 148 HG13 ILE 20 HG11 ILE 20 9.008 -0.102 5.046 149 HG21 ILE 20 HG21 ILE 20 10.615 0.516 1.663 150 HG22 ILE 20 HG22 ILE 20 9.588 1.920 1.354 151 HG23 ILE 20 HG23 ILE 20 8.877 0.307 1.430 152 HD11 ILE 20 HD11 ILE 20 6.986 -0.182 3.680 153 HD12 ILE 20 HD12 ILE 20 7.643 -1.791 3.982 154 HD13 ILE 20 HD13 ILE 20 7.881 -1.021 2.413 155 H GLY 21 HN GLY 21 8.745 2.176 5.544 156 HA2 GLY 21 HA2 GLY 21 9.044 0.746 7.757 157 HA3 GLY 21 HA1 GLY 21 10.329 1.924 7.981 158 H LYS 22 HN LYS 22 6.859 1.775 7.196 159 HA LYS 22 HA LYS 22 6.453 4.030 9.037 160 HB2 LYS 22 HB2 LYS 22 4.459 4.458 7.258 161 HB3 LYS 22 HB1 LYS 22 6.019 5.264 7.195 162 HG2 LYS 22 HG2 LYS 22 5.463 4.487 5.005 163 HG3 LYS 22 HG1 LYS 22 6.805 3.521 5.619 164 HD2 LYS 22 HD2 LYS 22 5.250 1.730 6.212 165 HD3 LYS 22 HD1 LYS 22 3.902 2.698 5.612 166 HE2 LYS 22 HE2 LYS 22 6.233 1.705 3.976 167 HE3 LYS 22 HE1 LYS 22 4.607 1.023 3.973 168 HZ1 LYS 22 HZ1 LYS 22 5.324 3.782 3.136 169 HZ2 LYS 22 HZ2 LYS 22 3.766 3.125 3.131 170 HZ3 LYS 22 HZ3 LYS 22 4.949 2.501 2.096 Start of MODEL 18 1 H1 ACE 0 HA1 ACE 0 -15.511 2.769 -1.011 2 H2 ACE 0 HA2 ACE 0 -14.595 1.453 -1.743 3 H3 ACE 0 HA3 ACE 0 -14.418 3.081 -2.393 4 H MET 1 HN MET 1 -12.114 2.153 -1.899 5 HA MET 1 HA MET 1 -11.323 2.619 0.856 6 HB2 MET 1 HB1 MET 1 -10.396 0.690 -0.369 7 HB3 MET 1 HB2 MET 1 -9.641 1.809 -1.503 8 HG2 MET 1 HG1 MET 1 -8.273 0.795 0.462 9 HG3 MET 1 HG2 MET 1 -8.040 2.482 -0.013 10 HE1 MET 1 HE1 MET 1 -9.557 -0.014 2.601 11 HE2 MET 1 HE2 MET 1 -11.004 0.811 2.023 12 HE3 MET 1 HE3 MET 1 -10.448 1.062 3.677 13 H ASP 2 HN ASP 2 -12.077 4.674 -1.426 14 HA ASP 2 HA ASP 2 -11.457 6.847 -1.878 15 HB2 ASP 2 HB2 ASP 2 -10.326 6.235 0.794 16 HB3 ASP 2 HB1 ASP 2 -9.618 7.591 -0.045 17 H TRP 3 HN TRP 3 -10.016 4.321 -2.471 18 HA TRP 3 HA TRP 3 -7.529 4.073 -2.541 19 HB2 TRP 3 HB1 TRP 3 -9.507 3.614 -4.572 20 HB3 TRP 3 HB2 TRP 3 -7.830 3.507 -5.080 21 HD1 TRP 3 HD1 TRP 3 -9.974 1.189 -4.593 22 HE1 TRP 3 HE1 TRP 3 -9.257 -0.901 -3.260 23 HE3 TRP 3 HE3 TRP 3 -6.220 3.285 -1.996 24 HZ2 TRP 3 HZ2 TRP 3 -7.292 -1.495 -1.295 25 HZ3 TRP 3 HZ3 TRP 3 -4.979 1.933 -0.389 26 HH2 TRP 3 HH2 TRP 3 -5.496 -0.402 -0.047 27 H GLY 4 HN GLY 4 -5.967 4.385 -3.435 28 HA2 GLY 4 HA2 GLY 4 -4.691 5.761 -5.156 29 HA3 GLY 4 HA1 GLY 4 -5.274 7.118 -4.177 30 H THR 5 HN THR 5 -5.281 4.714 -2.189 31 HA THR 5 HA THR 5 -2.667 5.164 -1.039 32 HB THR 5 HB THR 5 -5.378 4.625 -0.013 33 HG1 THR 5 HG1 THR 5 -3.703 6.557 0.164 34 HG21 THR 5 HG21 THR 5 -3.837 2.659 0.660 35 HG22 THR 5 HG22 THR 5 -4.792 3.457 1.912 36 HG23 THR 5 HG23 THR 5 -3.075 3.830 1.736 37 H LEU 6 HN LEU 6 -4.204 3.084 -3.002 38 HA LEU 6 HA LEU 6 -3.257 0.603 -1.934 39 HB2 LEU 6 HB1 LEU 6 -4.114 -0.399 -4.023 40 HB3 LEU 6 HB2 LEU 6 -5.291 0.493 -3.100 41 HG LEU 6 HG LEU 6 -4.081 1.364 -5.701 42 HD11 LEU 6 HD11 LEU 6 -6.932 0.897 -4.951 43 HD12 LEU 6 HD12 LEU 6 -5.909 -0.416 -5.567 44 HD13 LEU 6 HD13 LEU 6 -6.237 0.997 -6.578 45 HD21 LEU 6 HD21 LEU 6 -6.088 2.758 -3.976 46 HD22 LEU 6 HD22 LEU 6 -5.592 3.245 -5.606 47 HD23 LEU 6 HD23 LEU 6 -4.431 3.310 -4.282 48 H GLN 7 HN GLN 7 -2.723 1.540 -5.232 49 HA GLN 7 HA GLN 7 -0.477 0.570 -6.004 50 HB2 GLN 7 HB1 GLN 7 0.227 3.236 -6.356 51 HB3 GLN 7 HB2 GLN 7 -0.715 2.247 -7.471 52 HG2 GLN 7 HG1 GLN 7 -1.988 4.177 -7.119 53 HG3 GLN 7 HG2 GLN 7 -2.715 2.932 -6.094 54 HE21 GLN 7 HE21 GLN 7 -2.533 3.045 -3.922 55 HE22 GLN 7 HE22 GLN 7 -1.997 4.440 -3.080 56 H THR 8 HN THR 8 -0.610 2.807 -3.297 57 HA THR 8 HA THR 8 2.272 2.694 -2.891 58 HB THR 8 HB THR 8 1.343 4.902 -2.719 59 HG1 THR 8 HG1 THR 8 1.841 5.249 -0.371 60 HG21 THR 8 HG21 THR 8 -0.765 3.458 -1.406 61 HG22 THR 8 HG22 THR 8 -0.765 5.113 -2.038 62 HG23 THR 8 HG23 THR 8 -0.217 4.800 -0.390 63 H ILE 9 HN ILE 9 -0.709 1.891 -1.307 64 HA ILE 9 HA ILE 9 0.742 0.222 0.595 65 HB ILE 9 HB ILE 9 -1.896 1.479 1.228 66 HG12 ILE 9 HG11 ILE 9 -0.278 3.288 0.834 67 HG13 ILE 9 HG12 ILE 9 -0.710 3.185 2.536 68 HG21 ILE 9 HG21 ILE 9 0.237 0.213 2.939 69 HG22 ILE 9 HG22 ILE 9 -1.359 -0.441 2.575 70 HG23 ILE 9 HG23 ILE 9 -1.205 1.010 3.565 71 HD11 ILE 9 HD11 ILE 9 1.379 2.032 3.006 72 HD12 ILE 9 HD12 ILE 9 1.667 3.592 2.235 73 HD13 ILE 9 HD13 ILE 9 1.810 2.105 1.297 74 H LEU 10 HN LEU 10 -0.312 -0.324 -1.974 75 HA LEU 10 HA LEU 10 -2.674 -1.451 -2.405 76 HB2 LEU 10 HB2 LEU 10 -0.752 -1.386 -3.947 77 HB3 LEU 10 HB1 LEU 10 -0.106 -2.799 -3.147 78 HG LEU 10 HG LEU 10 -1.887 -4.173 -3.949 79 HD11 LEU 10 HD11 LEU 10 -3.566 -2.177 -3.692 80 HD12 LEU 10 HD12 LEU 10 -3.868 -3.449 -4.871 81 HD13 LEU 10 HD13 LEU 10 -3.188 -1.907 -5.390 82 HD21 LEU 10 HD21 LEU 10 -0.882 -2.276 -6.040 83 HD22 LEU 10 HD22 LEU 10 -1.688 -3.803 -6.405 84 HD23 LEU 10 HD23 LEU 10 -0.143 -3.800 -5.550 85 H GLY 11 HN GLY 11 -3.411 -3.634 -2.543 86 HA2 GLY 11 HA1 GLY 11 -3.864 -4.871 -0.174 87 HA3 GLY 11 HA2 GLY 11 -3.914 -5.676 -1.733 88 H GLY 12 HN GLY 12 -0.979 -5.150 -2.119 89 HA2 GLY 12 HA2 GLY 12 0.356 -6.552 -0.003 90 HA3 GLY 12 HA1 GLY 12 0.054 -7.581 -1.393 91 H VAL 13 HN VAL 13 0.694 -4.166 -1.803 92 HA VAL 13 HA VAL 13 2.852 -4.657 -3.549 93 HB VAL 13 HB VAL 13 1.491 -2.626 -3.717 94 HG11 VAL 13 HG11 VAL 13 1.755 -2.502 -1.046 95 HG12 VAL 13 HG12 VAL 13 1.224 -1.150 -2.046 96 HG13 VAL 13 HG13 VAL 13 2.912 -1.267 -1.537 97 HG21 VAL 13 HG21 VAL 13 3.712 -2.633 -4.721 98 HG22 VAL 13 HG22 VAL 13 4.414 -2.080 -3.200 99 HG23 VAL 13 HG23 VAL 13 3.314 -1.032 -4.096 100 H ASN 14 HN ASN 14 5.064 -4.409 -3.310 101 HA ASN 14 HA ASN 14 6.059 -3.980 -0.583 102 HB2 ASN 14 HB1 ASN 14 7.707 -5.815 -0.923 103 HB3 ASN 14 HB2 ASN 14 6.040 -6.380 -0.879 104 HD21 ASN 14 HD21 ASN 14 8.051 -7.859 -3.715 105 HD22 ASN 14 HD22 ASN 14 8.420 -7.601 -2.048 106 H LYS 15 HN LYS 15 6.736 -1.912 -1.150 107 HA LYS 15 HA LYS 15 9.198 -1.856 -2.728 108 HB2 LYS 15 HB1 LYS 15 6.875 0.031 -3.148 109 HB3 LYS 15 HB2 LYS 15 8.476 0.250 -3.839 110 HG2 LYS 15 HG1 LYS 15 8.231 -1.848 -5.071 111 HG3 LYS 15 HG2 LYS 15 6.617 -2.055 -4.386 112 HD2 LYS 15 HD1 LYS 15 5.894 0.021 -5.452 113 HD3 LYS 15 HD2 LYS 15 7.509 0.242 -6.128 114 HE2 LYS 15 HE1 LYS 15 5.991 -0.690 -7.790 115 HE3 LYS 15 HE2 LYS 15 7.269 -1.836 -7.389 116 HZ1 LYS 15 HZ1 LYS 15 5.723 -2.987 -5.926 117 HZ2 LYS 15 HZ2 LYS 15 5.126 -2.928 -7.507 118 HZ3 LYS 15 HZ3 LYS 15 4.496 -1.892 -6.327 119 H HIS 16 HN HIS 16 7.569 -1.112 0.047 120 HA HIS 16 HA HIS 16 9.108 1.300 0.639 121 HB2 HIS 16 HB2 HIS 16 7.743 1.388 2.708 122 HB3 HIS 16 HB1 HIS 16 6.760 1.369 1.247 123 HD1 HIS 16 HD1 HIS 16 5.107 -0.515 0.983 124 HD2 HIS 16 HD2 HIS 16 7.700 -1.079 4.182 125 HE1 HIS 16 HE1 HIS 16 4.196 -2.489 2.248 126 HE2 HIS 16 HE2 HIS 16 5.780 -2.813 4.180 127 H SER 17 HN SER 17 10.497 1.462 2.428 128 HA SER 17 HA SER 17 11.282 -1.045 3.727 129 HB2 SER 17 HB1 SER 17 13.213 0.865 2.389 130 HB3 SER 17 HB2 SER 17 13.672 -0.526 3.370 131 HG SER 17 HG SER 17 13.378 -0.603 0.861 132 H THR 18 HN THR 18 10.798 -0.596 5.780 133 HA THR 18 HA THR 18 10.669 0.448 7.797 134 HB THR 18 HB THR 18 12.695 1.480 8.636 135 HG1 THR 18 HG1 THR 18 13.962 1.290 6.136 136 HG21 THR 18 HG21 THR 18 12.691 -0.958 8.413 137 HG22 THR 18 HG22 THR 18 14.308 -0.301 8.159 138 HG23 THR 18 HG23 THR 18 13.339 -0.813 6.779 139 H SER 19 HN SER 19 11.407 2.859 8.807 140 HA SER 19 HA SER 19 10.662 5.004 9.001 141 HB2 SER 19 HB2 SER 19 11.045 4.976 5.997 142 HB3 SER 19 HB1 SER 19 10.860 6.423 6.987 143 HG SER 19 HG SER 19 12.768 5.195 8.153 144 H ILE 20 HN ILE 20 9.202 6.156 6.496 145 HA ILE 20 HA ILE 20 7.043 6.704 6.074 146 HB ILE 20 HB ILE 20 5.779 5.017 5.066 147 HG12 ILE 20 HG12 ILE 20 7.329 2.939 6.628 148 HG13 ILE 20 HG11 ILE 20 5.701 3.477 7.028 149 HG21 ILE 20 HG21 ILE 20 8.621 4.046 4.881 150 HG22 ILE 20 HG22 ILE 20 7.985 5.457 4.035 151 HG23 ILE 20 HG23 ILE 20 7.350 3.853 3.673 152 HD11 ILE 20 HD11 ILE 20 4.908 2.636 4.868 153 HD12 ILE 20 HD12 ILE 20 5.634 1.370 5.857 154 HD13 ILE 20 HD13 ILE 20 6.537 2.062 4.510 155 H GLY 21 HN GLY 21 7.749 6.245 8.965 156 HA2 GLY 21 HA1 GLY 21 5.421 6.943 10.190 157 HA3 GLY 21 HA2 GLY 21 5.357 5.187 10.172 158 H LYS 22 HN LYS 22 7.301 4.066 11.088 159 HA LYS 22 HA LYS 22 9.009 5.483 12.874 160 HB2 LYS 22 HB1 LYS 22 8.085 4.342 14.953 161 HB3 LYS 22 HB2 LYS 22 7.156 5.693 14.319 162 HG2 LYS 22 HG2 LYS 22 5.705 4.007 13.145 163 HG3 LYS 22 HG1 LYS 22 6.542 2.762 14.075 164 HD2 LYS 22 HD1 LYS 22 5.856 3.897 16.156 165 HD3 LYS 22 HD2 LYS 22 4.957 5.071 15.192 166 HE2 LYS 22 HE2 LYS 22 3.566 3.273 14.295 167 HE3 LYS 22 HE1 LYS 22 4.464 2.097 15.256 168 HZ1 LYS 22 HZ1 LYS 22 3.698 3.197 17.261 169 HZ2 LYS 22 HZ2 LYS 22 2.381 2.712 16.316 170 HZ3 LYS 22 HZ3 LYS 22 2.847 4.337 16.346 Start of MODEL 19 1 H1 ACE 0 HA1 ACE 0 -13.926 1.984 -4.294 2 H2 ACE 0 HA2 ACE 0 -13.971 0.391 -3.543 3 H3 ACE 0 HA3 ACE 0 -13.024 0.615 -5.011 4 H MET 1 HN MET 1 -13.077 0.835 -1.604 5 HA MET 1 HA MET 1 -11.488 1.303 -0.051 6 HB2 MET 1 HB1 MET 1 -10.234 -0.381 -1.365 7 HB3 MET 1 HB2 MET 1 -9.531 0.935 -2.304 8 HG2 MET 1 HG1 MET 1 -8.231 -0.109 -0.307 9 HG3 MET 1 HG2 MET 1 -8.177 1.635 -0.595 10 HE1 MET 1 HE1 MET 1 -11.081 -0.584 0.954 11 HE2 MET 1 HE2 MET 1 -10.704 -0.453 2.673 12 HE3 MET 1 HE3 MET 1 -9.594 -1.290 1.588 13 H ASP 2 HN ASP 2 -12.312 3.441 -2.268 14 HA ASP 2 HA ASP 2 -11.935 5.702 -2.494 15 HB2 ASP 2 HB2 ASP 2 -11.009 5.010 0.237 16 HB3 ASP 2 HB1 ASP 2 -10.407 6.508 -0.420 17 H TRP 3 HN TRP 3 -10.112 3.430 -3.096 18 HA TRP 3 HA TRP 3 -7.621 3.504 -2.906 19 HB2 TRP 3 HB1 TRP 3 -9.301 2.978 -5.177 20 HB3 TRP 3 HB2 TRP 3 -7.583 3.130 -5.500 21 HD1 TRP 3 HD1 TRP 3 -9.435 0.527 -5.429 22 HE1 TRP 3 HE1 TRP 3 -8.579 -1.567 -4.184 23 HE3 TRP 3 HE3 TRP 3 -6.276 2.841 -2.282 24 HZ2 TRP 3 HZ2 TRP 3 -6.759 -2.079 -2.064 25 HZ3 TRP 3 HZ3 TRP 3 -5.031 1.520 -0.652 26 HH2 TRP 3 HH2 TRP 3 -5.260 -0.883 -0.545 27 H GLY 4 HN GLY 4 -6.032 4.086 -3.596 28 HA2 GLY 4 HA2 GLY 4 -4.783 5.757 -5.054 29 HA3 GLY 4 HA1 GLY 4 -5.643 6.940 -4.053 30 H THR 5 HN THR 5 -5.521 4.381 -2.266 31 HA THR 5 HA THR 5 -3.128 5.062 -0.793 32 HB THR 5 HB THR 5 -5.832 4.097 -0.127 33 HG1 THR 5 HG1 THR 5 -4.859 5.332 1.896 34 HG21 THR 5 HG21 THR 5 -4.124 2.288 0.573 35 HG22 THR 5 HG22 THR 5 -5.298 2.850 1.764 36 HG23 THR 5 HG23 THR 5 -3.637 3.446 1.811 37 H LEU 6 HN LEU 6 -4.150 2.991 -3.069 38 HA LEU 6 HA LEU 6 -2.991 0.561 -2.092 39 HB2 LEU 6 HB1 LEU 6 -3.500 -0.354 -4.328 40 HB3 LEU 6 HB2 LEU 6 -4.871 0.299 -3.474 41 HG LEU 6 HG LEU 6 -3.539 1.538 -5.857 42 HD11 LEU 6 HD11 LEU 6 -6.361 0.652 -5.464 43 HD12 LEU 6 HD12 LEU 6 -5.115 -0.465 -6.054 44 HD13 LEU 6 HD13 LEU 6 -5.525 0.977 -6.990 45 HD21 LEU 6 HD21 LEU 6 -5.879 2.512 -4.269 46 HD22 LEU 6 HD22 LEU 6 -5.287 3.199 -5.792 47 HD23 LEU 6 HD23 LEU 6 -4.289 3.292 -4.343 48 H GLN 7 HN GLN 7 -2.281 1.885 -5.221 49 HA GLN 7 HA GLN 7 0.141 1.258 -5.829 50 HB2 GLN 7 HB1 GLN 7 0.507 4.013 -5.905 51 HB3 GLN 7 HB2 GLN 7 -0.181 3.013 -7.184 52 HG2 GLN 7 HG1 GLN 7 -1.730 4.729 -6.825 53 HG3 GLN 7 HG2 GLN 7 -2.378 3.315 -5.984 54 HE21 GLN 7 HE21 GLN 7 -2.420 3.248 -3.801 55 HE22 GLN 7 HE22 GLN 7 -2.165 4.617 -2.800 56 H THR 8 HN THR 8 -0.565 3.169 -2.976 57 HA THR 8 HA THR 8 2.254 3.394 -2.269 58 HB THR 8 HB THR 8 1.020 5.451 -2.069 59 HG1 THR 8 HG1 THR 8 1.275 5.709 0.314 60 HG21 THR 8 HG21 THR 8 -0.987 3.657 -1.071 61 HG22 THR 8 HG22 THR 8 -1.147 5.347 -1.581 62 HG23 THR 8 HG23 THR 8 -0.712 4.967 0.088 63 H ILE 9 HN ILE 9 -0.743 2.089 -1.107 64 HA ILE 9 HA ILE 9 0.705 0.447 0.818 65 HB ILE 9 HB ILE 9 -2.055 1.469 1.353 66 HG12 ILE 9 HG11 ILE 9 -0.496 3.387 1.200 67 HG13 ILE 9 HG12 ILE 9 -1.109 3.159 2.833 68 HG21 ILE 9 HG21 ILE 9 -1.490 -0.510 2.594 69 HG22 ILE 9 HG22 ILE 9 -1.487 0.866 3.695 70 HG23 ILE 9 HG23 ILE 9 0.038 0.201 3.111 71 HD11 ILE 9 HD11 ILE 9 0.973 2.115 3.494 72 HD12 ILE 9 HD12 ILE 9 1.269 3.710 2.802 73 HD13 ILE 9 HD13 ILE 9 1.588 2.262 1.848 74 H LEU 10 HN LEU 10 -0.117 -0.017 -1.831 75 HA LEU 10 HA LEU 10 -2.324 -1.262 -2.551 76 HB2 LEU 10 HB2 LEU 10 -0.338 -1.057 -3.917 77 HB3 LEU 10 HB1 LEU 10 0.417 -2.368 -3.041 78 HG LEU 10 HG LEU 10 -1.116 -3.964 -3.959 79 HD11 LEU 10 HD11 LEU 10 -2.971 -1.976 -3.991 80 HD12 LEU 10 HD12 LEU 10 -3.140 -3.512 -4.840 81 HD13 LEU 10 HD13 LEU 10 -2.559 -2.087 -5.702 82 HD21 LEU 10 HD21 LEU 10 -0.150 -1.984 -5.991 83 HD22 LEU 10 HD22 LEU 10 -0.745 -3.596 -6.398 84 HD23 LEU 10 HD23 LEU 10 0.707 -3.411 -5.408 85 H GLY 11 HN GLY 11 -3.161 -3.310 -2.671 86 HA2 GLY 11 HA1 GLY 11 -3.621 -4.694 -0.389 87 HA3 GLY 11 HA2 GLY 11 -3.701 -5.396 -1.999 88 H GLY 12 HN GLY 12 -1.054 -5.365 -2.748 89 HA2 GLY 12 HA2 GLY 12 0.171 -7.164 -0.752 90 HA3 GLY 12 HA1 GLY 12 0.295 -7.421 -2.486 91 H VAL 13 HN VAL 13 0.449 -4.180 -1.435 92 HA VAL 13 HA VAL 13 2.692 -3.365 -2.575 93 HB VAL 13 HB VAL 13 0.971 -2.226 -0.843 94 HG11 VAL 13 HG21 VAL 13 2.167 -3.104 1.129 95 HG12 VAL 13 HG22 VAL 13 2.160 -1.342 1.071 96 HG13 VAL 13 HG23 VAL 13 3.612 -2.233 0.617 97 HG21 VAL 13 HG11 VAL 13 2.567 -1.386 -2.678 98 HG22 VAL 13 HG12 VAL 13 3.595 -0.903 -1.329 99 HG23 VAL 13 HG13 VAL 13 1.958 -0.254 -1.472 100 H ASN 14 HN ASN 14 4.847 -3.339 -2.296 101 HA ASN 14 HA ASN 14 6.233 -3.964 0.039 102 HB2 ASN 14 HB1 ASN 14 5.283 -6.236 -0.376 103 HB3 ASN 14 HB2 ASN 14 6.142 -6.274 -1.912 104 HD21 ASN 14 HD21 ASN 14 8.083 -6.916 1.594 105 HD22 ASN 14 HD22 ASN 14 6.460 -6.325 1.553 106 H LYS 15 HN LYS 15 6.025 -2.763 -2.926 107 HA LYS 15 HA LYS 15 8.526 -3.265 -4.120 108 HB2 LYS 15 HB1 LYS 15 6.736 -0.841 -4.369 109 HB3 LYS 15 HB2 LYS 15 8.077 -1.224 -5.440 110 HG2 LYS 15 HG2 LYS 15 5.639 -2.947 -5.048 111 HG3 LYS 15 HG1 LYS 15 5.885 -1.822 -6.385 112 HD2 LYS 15 HD1 LYS 15 7.863 -3.075 -7.084 113 HD3 LYS 15 HD2 LYS 15 7.635 -4.194 -5.738 114 HE2 LYS 15 HE1 LYS 15 6.778 -5.138 -7.815 115 HE3 LYS 15 HE2 LYS 15 5.477 -4.869 -6.655 116 HZ1 LYS 15 HZ1 LYS 15 6.151 -3.095 -8.940 117 HZ2 LYS 15 HZ2 LYS 15 4.907 -2.833 -7.826 118 HZ3 LYS 15 HZ3 LYS 15 4.840 -4.161 -8.870 119 H HIS 16 HN HIS 16 7.789 -1.628 -1.292 120 HA HIS 16 HA HIS 16 9.629 0.507 -1.342 121 HB2 HIS 16 HB1 HIS 16 8.628 -1.070 1.037 122 HB3 HIS 16 HB2 HIS 16 9.402 0.510 1.102 123 HD1 HIS 16 HD1 HIS 16 6.146 -1.084 0.804 124 HD2 HIS 16 HD2 HIS 16 7.801 2.598 -0.184 125 HE1 HIS 16 HE1 HIS 16 4.192 0.455 0.438 126 HE2 HIS 16 HE2 HIS 16 5.216 2.678 -0.156 127 H SER 17 HN SER 17 11.485 0.542 0.369 128 HA SER 17 HA SER 17 13.526 -1.134 -0.557 129 HB2 SER 17 HB2 SER 17 14.855 -0.237 1.340 130 HB3 SER 17 HB1 SER 17 14.009 1.030 0.451 131 HG SER 17 HG SER 17 13.841 1.194 2.771 132 H THR 18 HN THR 18 12.106 -1.115 2.720 133 HA THR 18 HA THR 18 12.174 -4.026 2.760 134 HB THR 18 HB THR 18 13.562 -2.401 4.902 135 HG1 THR 18 HG1 THR 18 14.761 -4.265 3.125 136 HG21 THR 18 HG21 THR 18 12.453 -4.438 5.734 137 HG22 THR 18 HG22 THR 18 14.211 -4.559 5.826 138 HG23 THR 18 HG23 THR 18 13.335 -5.392 4.541 139 H SER 19 HN SER 19 11.910 -1.583 5.335 140 HA SER 19 HA SER 19 9.594 -2.809 6.428 141 HB2 SER 19 HB2 SER 19 9.481 -0.799 7.881 142 HB3 SER 19 HB1 SER 19 11.087 -1.533 7.862 143 HG SER 19 HG SER 19 11.568 0.522 7.500 144 H ILE 20 HN ILE 20 7.521 -1.635 6.764 145 HA ILE 20 HA ILE 20 6.808 0.190 4.601 146 HB ILE 20 HB ILE 20 4.751 -1.160 4.149 147 HG12 ILE 20 HG11 ILE 20 6.251 -3.392 5.519 148 HG13 ILE 20 HG12 ILE 20 4.959 -2.484 6.300 149 HG21 ILE 20 HG21 ILE 20 7.437 -2.385 3.542 150 HG22 ILE 20 HG22 ILE 20 6.560 -1.198 2.574 151 HG23 ILE 20 HG23 ILE 20 5.932 -2.839 2.736 152 HD11 ILE 20 HD11 ILE 20 3.444 -3.203 4.463 153 HD12 ILE 20 HD12 ILE 20 4.056 -4.522 5.460 154 HD13 ILE 20 HD13 ILE 20 4.744 -4.231 3.862 155 H GLY 21 HN GLY 21 4.664 1.173 4.918 156 HA2 GLY 21 HA2 GLY 21 2.852 1.852 6.247 157 HA3 GLY 21 HA1 GLY 21 3.527 0.947 7.593 158 H LYS 22 HN LYS 22 3.160 3.999 6.166 159 HA LYS 22 HA LYS 22 5.306 5.200 7.745 160 HB2 LYS 22 HB2 LYS 22 3.472 6.292 5.614 161 HB3 LYS 22 HB1 LYS 22 4.527 7.324 6.568 162 HG2 LYS 22 HG1 LYS 22 5.641 6.897 4.528 163 HG3 LYS 22 HG2 LYS 22 6.456 5.936 5.763 164 HD2 LYS 22 HD2 LYS 22 6.184 4.606 3.772 165 HD3 LYS 22 HD1 LYS 22 5.141 3.967 5.044 166 HE2 LYS 22 HE1 LYS 22 3.977 4.025 2.901 167 HE3 LYS 22 HE2 LYS 22 3.225 5.118 4.063 168 HZ1 LYS 22 HZ1 LYS 22 3.421 6.151 1.897 169 HZ2 LYS 22 HZ2 LYS 22 5.095 5.913 1.897 170 HZ3 LYS 22 HZ3 LYS 22 4.393 6.964 3.020 Start of MODEL 20 1 H1 ACE 0 HA1 ACE 0 -13.668 -0.411 -3.795 2 H2 ACE 0 HA2 ACE 0 -14.196 1.263 -3.640 3 H3 ACE 0 HA3 ACE 0 -15.032 0.016 -2.716 4 H MET 1 HN MET 1 -12.112 1.910 -3.012 5 HA MET 1 HA MET 1 -11.582 1.486 -0.187 6 HB2 MET 1 HB1 MET 1 -10.227 -0.210 -1.365 7 HB3 MET 1 HB2 MET 1 -9.445 1.091 -2.265 8 HG2 MET 1 HG2 MET 1 -7.997 1.422 -0.628 9 HG3 MET 1 HG1 MET 1 -9.307 1.655 0.533 10 HE1 MET 1 HE1 MET 1 -10.449 -0.283 1.912 11 HE2 MET 1 HE2 MET 1 -9.992 -1.982 1.790 12 HE3 MET 1 HE3 MET 1 -10.786 -1.182 0.432 13 H ASP 2 HN ASP 2 -12.239 3.636 -2.379 14 HA ASP 2 HA ASP 2 -11.837 5.896 -2.573 15 HB2 ASP 2 HB2 ASP 2 -10.969 5.173 0.167 16 HB3 ASP 2 HB1 ASP 2 -10.313 6.658 -0.472 17 H TRP 3 HN TRP 3 -10.058 3.593 -3.160 18 HA TRP 3 HA TRP 3 -7.571 3.605 -2.941 19 HB2 TRP 3 HB1 TRP 3 -9.238 3.128 -5.231 20 HB3 TRP 3 HB2 TRP 3 -7.512 3.238 -5.536 21 HD1 TRP 3 HD1 TRP 3 -9.424 0.676 -5.492 22 HE1 TRP 3 HE1 TRP 3 -8.635 -1.436 -4.237 23 HE3 TRP 3 HE3 TRP 3 -6.248 2.913 -2.307 24 HZ2 TRP 3 HZ2 TRP 3 -6.850 -1.993 -2.101 25 HZ3 TRP 3 HZ3 TRP 3 -5.050 1.560 -0.667 26 HH2 TRP 3 HH2 TRP 3 -5.338 -0.836 -0.566 27 H GLY 4 HN GLY 4 -5.959 4.148 -3.612 28 HA2 GLY 4 HA2 GLY 4 -4.651 5.792 -5.049 29 HA3 GLY 4 HA1 GLY 4 -5.492 6.993 -4.053 30 H THR 5 HN THR 5 -5.454 4.423 -2.273 31 HA THR 5 HA THR 5 -3.060 5.040 -0.772 32 HB THR 5 HB THR 5 -5.796 4.145 -0.136 33 HG1 THR 5 HG1 THR 5 -5.595 5.703 1.346 34 HG21 THR 5 HG21 THR 5 -4.135 2.291 0.574 35 HG22 THR 5 HG22 THR 5 -5.315 2.872 1.750 36 HG23 THR 5 HG23 THR 5 -3.642 3.432 1.827 37 H LEU 6 HN LEU 6 -4.108 3.002 -3.066 38 HA LEU 6 HA LEU 6 -3.017 0.543 -2.084 39 HB2 LEU 6 HB1 LEU 6 -3.526 -0.354 -4.326 40 HB3 LEU 6 HB2 LEU 6 -4.889 0.334 -3.488 41 HG LEU 6 HG LEU 6 -3.498 1.539 -5.854 42 HD11 LEU 6 HD11 LEU 6 -6.347 0.731 -5.490 43 HD12 LEU 6 HD12 LEU 6 -5.126 -0.420 -6.067 44 HD13 LEU 6 HD13 LEU 6 -5.486 1.033 -7.009 45 HD21 LEU 6 HD21 LEU 6 -5.826 2.575 -4.291 46 HD22 LEU 6 HD22 LEU 6 -5.199 3.248 -5.806 47 HD23 LEU 6 HD23 LEU 6 -4.215 3.311 -4.344 48 H GLN 7 HN GLN 7 -2.238 1.852 -5.203 49 HA GLN 7 HA GLN 7 0.174 1.177 -5.782 50 HB2 GLN 7 HB1 GLN 7 0.606 3.923 -5.839 51 HB3 GLN 7 HB2 GLN 7 -0.087 2.946 -7.132 52 HG2 GLN 7 HG1 GLN 7 -1.602 4.694 -6.786 53 HG3 GLN 7 HG2 GLN 7 -2.293 3.293 -5.957 54 HE21 GLN 7 HE21 GLN 7 -2.362 3.222 -3.774 55 HE22 GLN 7 HE22 GLN 7 -2.087 4.583 -2.768 56 H THR 8 HN THR 8 -0.517 3.106 -2.933 57 HA THR 8 HA THR 8 2.297 3.255 -2.191 58 HB THR 8 HB THR 8 1.117 5.339 -1.984 59 HG1 THR 8 HG1 THR 8 1.469 4.214 0.614 60 HG21 THR 8 HG21 THR 8 -0.952 3.587 -1.034 61 HG22 THR 8 HG22 THR 8 -1.064 5.282 -1.543 62 HG23 THR 8 HG23 THR 8 -0.667 4.889 0.133 63 H ILE 9 HN ILE 9 -0.743 2.022 -1.062 64 HA ILE 9 HA ILE 9 0.649 0.339 0.873 65 HB ILE 9 HB ILE 9 -2.119 1.371 1.346 66 HG12 ILE 9 HG11 ILE 9 -0.573 3.292 1.237 67 HG13 ILE 9 HG12 ILE 9 -1.192 3.048 2.865 68 HG21 ILE 9 HG21 ILE 9 -1.598 -0.605 2.599 69 HG22 ILE 9 HG22 ILE 9 -1.587 0.767 3.705 70 HG23 ILE 9 HG23 ILE 9 -0.065 0.083 3.136 71 HD11 ILE 9 HD11 ILE 9 1.513 2.172 1.884 72 HD12 ILE 9 HD12 ILE 9 0.891 2.005 3.526 73 HD13 ILE 9 HD13 ILE 9 1.183 3.608 2.852 74 H LEU 10 HN LEU 10 -0.119 -0.094 -1.805 75 HA LEU 10 HA LEU 10 -2.327 -1.321 -2.572 76 HB2 LEU 10 HB2 LEU 10 -0.305 -1.089 -3.899 77 HB3 LEU 10 HB1 LEU 10 0.412 -2.439 -3.050 78 HG LEU 10 HG LEU 10 -1.146 -3.976 -4.032 79 HD11 LEU 10 HD11 LEU 10 -2.978 -2.013 -4.019 80 HD12 LEU 10 HD12 LEU 10 -3.114 -3.447 -5.036 81 HD13 LEU 10 HD13 LEU 10 -2.490 -1.943 -5.711 82 HD21 LEU 10 HD21 LEU 10 -0.085 -1.975 -5.994 83 HD22 LEU 10 HD22 LEU 10 -0.709 -3.561 -6.452 84 HD23 LEU 10 HD23 LEU 10 0.723 -3.434 -5.425 85 H GLY 11 HN GLY 11 -3.114 -3.402 -2.776 86 HA2 GLY 11 HA1 GLY 11 -3.624 -4.819 -0.519 87 HA3 GLY 11 HA2 GLY 11 -3.653 -5.498 -2.139 88 H GLY 12 HN GLY 12 -0.947 -5.352 -2.776 89 HA2 GLY 12 HA2 GLY 12 0.235 -7.185 -0.786 90 HA3 GLY 12 HA1 GLY 12 0.414 -7.416 -2.518 91 H VAL 13 HN VAL 13 0.471 -4.184 -1.472 92 HA VAL 13 HA VAL 13 2.750 -3.338 -2.521 93 HB VAL 13 HB VAL 13 0.924 -2.250 -0.811 94 HG11 VAL 13 HG21 VAL 13 3.599 -2.043 0.574 95 HG12 VAL 13 HG22 VAL 13 2.225 -2.980 1.161 96 HG13 VAL 13 HG23 VAL 13 2.106 -1.225 1.036 97 HG21 VAL 13 HG11 VAL 13 2.531 -1.432 -2.706 98 HG22 VAL 13 HG12 VAL 13 3.411 -0.733 -1.347 99 HG23 VAL 13 HG13 VAL 13 1.723 -0.294 -1.632 100 H ASN 14 HN ASN 14 4.885 -3.197 -2.098 101 HA ASN 14 HA ASN 14 6.144 -3.813 0.310 102 HB2 ASN 14 HB1 ASN 14 5.360 -6.111 -0.165 103 HB3 ASN 14 HB2 ASN 14 6.228 -6.076 -1.696 104 HD21 ASN 14 HD21 ASN 14 8.733 -5.768 1.492 105 HD22 ASN 14 HD22 ASN 14 7.433 -4.655 1.260 106 H LYS 15 HN LYS 15 6.115 -3.060 -2.972 107 HA LYS 15 HA LYS 15 8.906 -2.199 -2.831 108 HB2 LYS 15 HB2 LYS 15 9.353 -3.018 -5.106 109 HB3 LYS 15 HB1 LYS 15 8.984 -4.334 -4.001 110 HG2 LYS 15 HG1 LYS 15 6.744 -4.502 -4.883 111 HG3 LYS 15 HG2 LYS 15 7.023 -3.104 -5.924 112 HD2 LYS 15 HD2 LYS 15 8.778 -4.333 -7.105 113 HD3 LYS 15 HD1 LYS 15 8.502 -5.731 -6.062 114 HE2 LYS 15 HE2 LYS 15 7.392 -5.986 -8.229 115 HE3 LYS 15 HE1 LYS 15 6.231 -5.935 -6.903 116 HZ1 LYS 15 HZ1 LYS 15 6.913 -3.659 -8.685 117 HZ2 LYS 15 HZ2 LYS 15 5.794 -3.617 -7.418 118 HZ3 LYS 15 HZ3 LYS 15 5.503 -4.590 -8.770 119 H HIS 16 HN HIS 16 9.421 -0.439 -4.195 120 HA HIS 16 HA HIS 16 7.181 0.822 -5.602 121 HB2 HIS 16 HB1 HIS 16 8.962 2.310 -3.664 122 HB3 HIS 16 HB2 HIS 16 7.614 2.977 -4.579 123 HD1 HIS 16 HD1 HIS 16 5.192 1.992 -3.901 124 HD2 HIS 16 HD2 HIS 16 8.292 1.302 -1.221 125 HE1 HIS 16 HE1 HIS 16 4.081 1.356 -1.737 126 HE2 HIS 16 HE2 HIS 16 5.975 0.946 -0.127 127 H SER 17 HN SER 17 7.736 1.867 -7.445 128 HA SER 17 HA SER 17 10.404 1.476 -8.443 129 HB2 SER 17 HB2 SER 17 8.474 1.180 -9.924 130 HB3 SER 17 HB1 SER 17 8.020 2.867 -9.689 131 HG SER 17 HG SER 17 9.234 3.159 -11.385 132 H THR 18 HN THR 18 8.959 3.838 -6.586 133 HA THR 18 HA THR 18 11.063 5.764 -7.294 134 HB THR 18 HB THR 18 9.491 7.628 -6.857 135 HG1 THR 18 HG1 THR 18 7.906 6.584 -5.645 136 HG21 THR 18 HG21 THR 18 8.701 5.727 -9.064 137 HG22 THR 18 HG22 THR 18 9.917 7.001 -9.151 138 HG23 THR 18 HG23 THR 18 8.213 7.419 -8.973 139 H SER 19 HN SER 19 12.321 6.122 -5.602 140 HA SER 19 HA SER 19 11.818 5.195 -3.019 141 HB2 SER 19 HB1 SER 19 13.698 7.385 -3.926 142 HB3 SER 19 HB2 SER 19 13.713 6.643 -2.327 143 HG SER 19 HG SER 19 15.033 5.812 -4.365 144 H ILE 20 HN ILE 20 11.139 6.179 -1.133 145 HA ILE 20 HA ILE 20 10.125 8.911 -1.281 146 HB ILE 20 HB ILE 20 7.979 8.197 -0.260 147 HG12 ILE 20 HG12 ILE 20 8.965 5.431 -0.992 148 HG13 ILE 20 HG11 ILE 20 8.733 6.042 0.643 149 HG21 ILE 20 HG21 ILE 20 8.701 7.156 -2.992 150 HG22 ILE 20 HG22 ILE 20 7.960 8.705 -2.579 151 HG23 ILE 20 HG23 ILE 20 7.043 7.212 -2.386 152 HD11 ILE 20 HD11 ILE 20 6.910 4.590 -0.007 153 HD12 ILE 20 HD12 ILE 20 6.568 5.614 -1.402 154 HD13 ILE 20 HD13 ILE 20 6.336 6.240 0.230 155 H GLY 21 HN GLY 21 12.253 7.268 0.155 156 HA2 GLY 21 HA1 GLY 21 11.601 8.271 2.845 157 HA3 GLY 21 HA2 GLY 21 12.188 6.625 2.650 158 H LYS 22 HN LYS 22 13.408 8.713 4.194 159 HA LYS 22 HA LYS 22 15.736 9.551 2.672 160 HB2 LYS 22 HB2 LYS 22 14.882 10.028 5.528 161 HB3 LYS 22 HB1 LYS 22 16.413 10.592 4.877 162 HG2 LYS 22 HG1 LYS 22 14.949 12.427 4.775 163 HG3 LYS 22 HG2 LYS 22 15.071 11.820 3.123 164 HD2 LYS 22 HD2 LYS 22 12.951 10.651 3.376 165 HD3 LYS 22 HD1 LYS 22 12.836 11.196 5.051 166 HE2 LYS 22 HE1 LYS 22 12.872 12.966 2.609 167 HE3 LYS 22 HE2 LYS 22 11.451 12.561 3.572 168 HZ1 LYS 22 HZ1 LYS 22 12.326 14.726 4.169 169 HZ2 LYS 22 HZ2 LYS 22 13.831 14.049 4.542 170 HZ3 LYS 22 HZ3 LYS 22 12.473 13.656 5.470
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