NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640116 | 6rsm | 34406 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 2.927 -0.677 -1.116 3 HB2 LYS 1 HB2 LYS 1 0.229 -0.690 -2.030 4 HB3 LYS 1 HB3 LYS 1 1.171 0.287 -3.149 5 HG2 LYS 1 HG2 LYS 1 2.514 -1.486 -3.774 6 HG3 LYS 1 HG3 LYS 1 2.168 -2.399 -2.304 7 HD2 LYS 1 HD2 LYS 1 0.849 -3.561 -3.749 8 HD3 LYS 1 HD3 LYS 1 -0.300 -2.299 -3.300 9 HE2 LYS 1 HE2 LYS 1 -0.128 -1.235 -5.317 10 HE3 LYS 1 HE3 LYS 1 1.527 -1.781 -5.587 11 HZ1 LYS 1 HZ1 LYS 1 -0.947 -3.396 -5.874 12 HZ2 LYS 1 HZ2 LYS 1 0.089 -2.893 -7.113 13 HZ3 LYS 1 HZ3 LYS 1 0.617 -4.031 -5.978 14 H PHE 2 H PHE 2 4.183 0.606 -2.539 15 HA PHE 2 HA PHE 2 4.052 3.454 -1.903 16 HB2 PHE 2 HB2 PHE 2 6.229 1.869 -3.283 17 HB3 PHE 2 HB3 PHE 2 6.337 3.557 -2.793 18 HD1 PHE 2 HD1 PHE 2 6.599 4.164 -0.466 19 HD2 PHE 2 HD2 PHE 2 6.351 0.086 -1.662 20 HE1 PHE 2 HE1 PHE 2 7.446 3.470 1.737 21 HE2 PHE 2 HE2 PHE 2 7.197 -0.614 0.540 22 HZ PHE 2 HZ PHE 2 7.745 1.078 2.243 23 H LYS 3 H LYS 3 3.540 4.991 -3.340 24 HA LYS 3 HA LYS 3 2.732 4.140 -6.011 25 HB2 LYS 3 HB2 LYS 3 1.596 6.281 -6.159 26 HB3 LYS 3 HB3 LYS 3 1.172 5.485 -4.649 27 HG2 LYS 3 HG2 LYS 3 3.474 7.273 -4.440 28 HG3 LYS 3 HG3 LYS 3 1.970 8.077 -4.897 29 HD2 LYS 3 HD2 LYS 3 2.263 6.219 -2.538 30 HD3 LYS 3 HD3 LYS 3 2.360 7.979 -2.438 31 HE2 LYS 3 HE2 LYS 3 0.022 7.569 -3.823 32 HE3 LYS 3 HE3 LYS 3 0.031 6.235 -2.670 33 HZ1 LYS 3 HZ1 LYS 3 -0.583 7.636 -1.091 34 HZ2 LYS 3 HZ2 LYS 3 0.803 8.576 -1.335 35 HZ3 LYS 3 HZ3 LYS 3 -0.611 8.912 -2.202 36 H LYS 4 H LYS 4 5.475 4.113 -5.663 37 HA LYS 4 HA LYS 4 6.812 6.472 -6.380 38 HB2 LYS 4 HB2 LYS 4 7.543 3.582 -6.876 39 HB3 LYS 4 HB3 LYS 4 8.634 4.935 -7.144 40 HG2 LYS 4 HG2 LYS 4 8.793 5.412 -4.864 41 HG3 LYS 4 HG3 LYS 4 7.355 4.465 -4.475 42 HD2 LYS 4 HD2 LYS 4 8.638 2.695 -4.075 43 HD3 LYS 4 HD3 LYS 4 9.210 2.736 -5.744 44 HE2 LYS 4 HE2 LYS 4 10.736 4.676 -4.762 45 HE3 LYS 4 HE3 LYS 4 10.473 3.781 -3.267 46 HZ1 LYS 4 HZ1 LYS 4 12.013 2.349 -3.909 47 HZ2 LYS 4 HZ2 LYS 4 11.097 1.941 -5.273 48 HZ3 LYS 4 HZ3 LYS 4 12.238 3.187 -5.362 49 H VAL 5 H VAL 5 8.162 6.482 -8.535 50 HA VAL 5 HA VAL 5 6.191 6.457 -10.693 51 HB VAL 5 HB VAL 5 8.979 7.614 -10.749 52 HG11 VAL 5 HG11 VAL 5 6.933 8.827 -12.420 53 HG12 VAL 5 HG12 VAL 5 8.550 8.262 -12.841 54 HG13 VAL 5 HG13 VAL 5 7.201 7.126 -12.802 55 HG21 VAL 5 HG21 VAL 5 7.469 9.790 -10.565 56 HG22 VAL 5 HG22 VAL 5 6.429 8.683 -9.668 57 HG23 VAL 5 HG23 VAL 5 8.089 8.958 -9.138 58 H ILE 6 H ILE 6 6.252 5.077 -12.356 59 HA ILE 6 HA ILE 6 8.369 3.067 -12.395 60 HB ILE 6 HB ILE 6 5.923 3.069 -14.145 61 HG12 ILE 6 HG12 ILE 6 5.206 1.385 -12.182 62 HG13 ILE 6 HG13 ILE 6 6.169 2.514 -11.236 63 HG21 ILE 6 HG21 ILE 6 7.014 0.570 -13.070 64 HG22 ILE 6 HG22 ILE 6 6.515 0.980 -14.711 65 HG23 ILE 6 HG23 ILE 6 8.111 1.455 -14.131 66 HD11 ILE 6 HD11 ILE 6 4.182 3.692 -13.070 67 HD12 ILE 6 HD12 ILE 6 3.559 2.822 -11.668 68 HD13 ILE 6 HD13 ILE 6 4.663 4.178 -11.444 69 H TRP 7 H TRP 7 8.923 5.756 -13.326 70 HA TRP 7 HA TRP 7 8.870 5.937 -16.134 71 HB2 TRP 7 HB2 TRP 7 9.255 7.908 -14.790 72 HB3 TRP 7 HB3 TRP 7 10.722 7.209 -14.110 73 HD1 TRP 7 HD1 TRP 7 12.737 8.440 -15.076 74 HE1 TRP 7 HE1 TRP 7 13.435 9.318 -17.392 75 HE3 TRP 7 HE3 TRP 7 8.517 7.244 -17.702 76 HZ2 TRP 7 HZ2 TRP 7 12.341 9.482 -19.989 77 HZ3 TRP 7 HZ3 TRP 7 8.423 7.796 -20.098 78 HH2 TRP 7 HH2 TRP 7 10.296 8.893 -21.216 79 H LYS 8 H LYS 8 11.184 4.516 -13.897 80 HA LYS 8 HA LYS 8 13.341 4.117 -15.598 81 HB2 LYS 8 HB2 LYS 8 13.853 2.134 -14.119 82 HB3 LYS 8 HB3 LYS 8 13.621 3.663 -13.280 83 HG2 LYS 8 HG2 LYS 8 11.105 2.353 -13.463 84 HG3 LYS 8 HG3 LYS 8 12.298 1.202 -12.856 85 HD2 LYS 8 HD2 LYS 8 11.992 3.980 -11.736 86 HD3 LYS 8 HD3 LYS 8 11.092 2.594 -11.114 87 HE2 LYS 8 HE2 LYS 8 13.084 1.492 -10.447 88 HE3 LYS 8 HE3 LYS 8 14.093 2.630 -11.337 89 HZ1 LYS 8 HZ1 LYS 8 12.609 4.152 -9.583 90 HZ2 LYS 8 HZ2 LYS 8 13.112 2.811 -8.683 91 HZ3 LYS 8 HZ3 LYS 8 14.255 3.781 -9.466 92 H SER 9 H SER 9 10.358 2.290 -15.271 93 HA SER 9 HA SER 9 11.244 0.199 -17.059 94 HB2 SER 9 HB2 SER 9 8.411 0.682 -16.139 95 HB3 SER 9 HB3 SER 9 9.144 -0.836 -16.657 96 HG SER 9 HG SER 9 9.807 -1.138 -14.694 97 H PHE 10 H PHE 10 9.218 3.067 -17.198 98 HA PHE 10 HA PHE 10 8.075 2.605 -19.732 99 HB2 PHE 10 HB2 PHE 10 8.435 4.970 -17.959 100 HB3 PHE 10 HB3 PHE 10 8.040 5.273 -19.648 101 HD1 PHE 10 HD1 PHE 10 6.923 2.762 -17.119 102 HD2 PHE 10 HD2 PHE 10 5.825 5.777 -19.915 103 HE1 PHE 10 HE1 PHE 10 4.548 2.343 -16.632 104 HE2 PHE 10 HE2 PHE 10 3.448 5.365 -19.432 105 HZ PHE 10 HZ PHE 10 2.807 3.646 -17.788 106 H LEU 11 H LEU 11 11.036 4.260 -18.732 107 HA LEU 11 HA LEU 11 11.814 5.390 -21.127 108 HB2 LEU 11 HB2 LEU 11 12.939 5.038 -18.639 109 HB3 LEU 11 HB3 LEU 11 14.026 4.141 -19.698 110 HG LEU 11 HG LEU 11 13.303 7.060 -19.951 111 HD11 LEU 11 HD11 LEU 11 15.487 7.539 -19.197 112 HD12 LEU 11 HD12 LEU 11 14.826 6.366 -18.058 113 HD13 LEU 11 HD13 LEU 11 15.974 5.847 -19.293 114 HD21 LEU 11 HD21 LEU 11 13.876 6.801 -22.090 115 HD22 LEU 11 HD22 LEU 11 15.521 6.540 -21.509 116 HD23 LEU 11 HD23 LEU 11 14.466 5.161 -21.818 Start of MODEL 2 1 H1 LYS 1 H LYS 1 5.349 -1.456 -6.509 2 HA LYS 1 HA LYS 1 2.534 -1.448 -5.986 3 HB2 LYS 1 HB2 LYS 1 4.906 -2.614 -4.824 4 HB3 LYS 1 HB3 LYS 1 3.900 -1.899 -3.571 5 HG2 LYS 1 HG2 LYS 1 2.837 -3.802 -5.640 6 HG3 LYS 1 HG3 LYS 1 3.470 -4.321 -4.076 7 HD2 LYS 1 HD2 LYS 1 1.431 -3.987 -3.244 8 HD3 LYS 1 HD3 LYS 1 1.693 -2.258 -3.482 9 HE2 LYS 1 HE2 LYS 1 -0.382 -2.889 -4.524 10 HE3 LYS 1 HE3 LYS 1 0.790 -2.485 -5.777 11 HZ1 LYS 1 HZ1 LYS 1 0.621 -4.511 -6.627 12 HZ2 LYS 1 HZ2 LYS 1 0.887 -5.252 -5.129 13 HZ3 LYS 1 HZ3 LYS 1 -0.679 -4.798 -5.583 14 H PHE 2 H PHE 2 5.293 0.484 -4.955 15 HA PHE 2 HA PHE 2 3.933 1.963 -2.961 16 HB2 PHE 2 HB2 PHE 2 6.442 2.490 -4.549 17 HB3 PHE 2 HB3 PHE 2 5.846 3.617 -3.335 18 HD1 PHE 2 HD1 PHE 2 6.397 3.334 -1.098 19 HD2 PHE 2 HD2 PHE 2 6.894 0.086 -3.804 20 HE1 PHE 2 HE1 PHE 2 7.546 2.050 0.659 21 HE2 PHE 2 HE2 PHE 2 8.043 -1.203 -2.051 22 HZ PHE 2 HZ PHE 2 8.370 -0.222 0.184 23 H LYS 3 H LYS 3 3.793 4.447 -3.174 24 HA LYS 3 HA LYS 3 2.169 5.000 -5.547 25 HB2 LYS 3 HB2 LYS 3 1.277 6.889 -4.268 26 HB3 LYS 3 HB3 LYS 3 1.117 5.386 -3.370 27 HG2 LYS 3 HG2 LYS 3 3.547 6.347 -2.525 28 HG3 LYS 3 HG3 LYS 3 2.578 7.811 -2.711 29 HD2 LYS 3 HD2 LYS 3 2.230 7.084 -0.491 30 HD3 LYS 3 HD3 LYS 3 0.778 6.619 -1.380 31 HE2 LYS 3 HE2 LYS 3 2.767 4.536 -1.497 32 HE3 LYS 3 HE3 LYS 3 2.421 4.975 0.175 33 HZ1 LYS 3 HZ1 LYS 3 -0.036 4.852 -0.972 34 HZ2 LYS 3 HZ2 LYS 3 0.785 3.575 -1.718 35 HZ3 LYS 3 HZ3 LYS 3 0.671 3.637 -0.031 36 H LYS 4 H LYS 4 4.942 4.958 -5.937 37 HA LYS 4 HA LYS 4 5.545 7.816 -6.333 38 HB2 LYS 4 HB2 LYS 4 7.878 7.318 -6.162 39 HB3 LYS 4 HB3 LYS 4 7.080 6.577 -4.782 40 HG2 LYS 4 HG2 LYS 4 7.069 4.605 -6.740 41 HG3 LYS 4 HG3 LYS 4 8.657 5.365 -6.869 42 HD2 LYS 4 HD2 LYS 4 7.531 4.556 -4.208 43 HD3 LYS 4 HD3 LYS 4 8.369 3.392 -5.237 44 HE2 LYS 4 HE2 LYS 4 10.382 4.275 -4.791 45 HE3 LYS 4 HE3 LYS 4 9.788 5.930 -4.918 46 HZ1 LYS 4 HZ1 LYS 4 10.346 4.442 -2.599 47 HZ2 LYS 4 HZ2 LYS 4 9.855 6.056 -2.723 48 HZ3 LYS 4 HZ3 LYS 4 8.699 4.827 -2.605 49 H VAL 5 H VAL 5 7.129 8.141 -8.216 50 HA VAL 5 HA VAL 5 6.160 6.551 -10.498 51 HB VAL 5 HB VAL 5 7.243 9.372 -10.494 52 HG11 VAL 5 HG11 VAL 5 6.289 7.553 -12.680 53 HG12 VAL 5 HG12 VAL 5 6.240 9.308 -12.854 54 HG13 VAL 5 HG13 VAL 5 7.780 8.490 -12.590 55 HG21 VAL 5 HG21 VAL 5 4.478 8.241 -10.456 56 HG22 VAL 5 HG22 VAL 5 5.143 9.612 -9.567 57 HG23 VAL 5 HG23 VAL 5 4.788 9.765 -11.288 58 H ILE 6 H ILE 6 7.586 5.706 -11.966 59 HA ILE 6 HA ILE 6 10.434 6.261 -11.670 60 HB ILE 6 HB ILE 6 9.916 3.393 -11.941 61 HG12 ILE 6 HG12 ILE 6 9.197 4.833 -9.382 62 HG13 ILE 6 HG13 ILE 6 8.137 3.829 -10.366 63 HG21 ILE 6 HG21 ILE 6 12.119 4.643 -11.604 64 HG22 ILE 6 HG22 ILE 6 11.634 4.788 -9.915 65 HG23 ILE 6 HG23 ILE 6 11.850 3.193 -10.637 66 HD11 ILE 6 HD11 ILE 6 9.518 1.878 -9.827 67 HD12 ILE 6 HD12 ILE 6 10.534 2.895 -8.806 68 HD13 ILE 6 HD13 ILE 6 8.840 2.640 -8.388 69 H TRP 7 H TRP 7 10.784 6.989 -13.686 70 HA TRP 7 HA TRP 7 9.472 6.126 -16.007 71 HB2 TRP 7 HB2 TRP 7 10.614 8.255 -15.960 72 HB3 TRP 7 HB3 TRP 7 12.160 7.466 -15.660 73 HD1 TRP 7 HD1 TRP 7 13.570 7.735 -17.775 74 HE1 TRP 7 HE1 TRP 7 13.183 7.442 -20.302 75 HE3 TRP 7 HE3 TRP 7 8.566 6.688 -17.713 76 HZ2 TRP 7 HZ2 TRP 7 11.040 6.846 -22.040 77 HZ3 TRP 7 HZ3 TRP 7 7.423 6.269 -19.852 78 HH2 TRP 7 HH2 TRP 7 8.636 6.347 -21.969 79 H LYS 8 H LYS 8 12.511 5.094 -14.530 80 HA LYS 8 HA LYS 8 13.533 3.489 -16.530 81 HB2 LYS 8 HB2 LYS 8 14.727 2.292 -14.799 82 HB3 LYS 8 HB3 LYS 8 14.681 4.003 -14.395 83 HG2 LYS 8 HG2 LYS 8 12.548 3.280 -13.033 84 HG3 LYS 8 HG3 LYS 8 13.337 1.701 -13.081 85 HD2 LYS 8 HD2 LYS 8 14.716 4.221 -12.170 86 HD3 LYS 8 HD3 LYS 8 13.877 3.121 -11.073 87 HE2 LYS 8 HE2 LYS 8 16.034 2.177 -12.939 88 HE3 LYS 8 HE3 LYS 8 16.401 2.825 -11.342 89 HZ1 LYS 8 HZ1 LYS 8 15.403 1.057 -10.296 90 HZ2 LYS 8 HZ2 LYS 8 14.417 0.671 -11.615 91 HZ3 LYS 8 HZ3 LYS 8 16.065 0.294 -11.652 92 H SER 9 H SER 9 10.939 2.816 -14.259 93 HA SER 9 HA SER 9 10.700 0.061 -15.124 94 HB2 SER 9 HB2 SER 9 10.251 0.886 -12.752 95 HB3 SER 9 HB3 SER 9 8.755 1.577 -13.381 96 HG SER 9 HG SER 9 8.486 -0.547 -12.515 97 H PHE 10 H PHE 10 9.055 3.129 -15.606 98 HA PHE 10 HA PHE 10 6.751 2.174 -16.888 99 HB2 PHE 10 HB2 PHE 10 8.181 4.777 -16.750 100 HB3 PHE 10 HB3 PHE 10 7.021 4.569 -18.058 101 HD1 PHE 10 HD1 PHE 10 6.993 3.429 -14.510 102 HD2 PHE 10 HD2 PHE 10 5.128 5.767 -17.539 103 HE1 PHE 10 HE1 PHE 10 5.158 3.966 -12.961 104 HE2 PHE 10 HE2 PHE 10 3.291 6.309 -15.994 105 HZ PHE 10 HZ PHE 10 3.305 5.409 -13.702 106 H LEU 11 H LEU 11 9.955 2.968 -18.124 107 HA LEU 11 HA LEU 11 9.430 2.873 -20.857 108 HB2 LEU 11 HB2 LEU 11 11.660 3.170 -19.261 109 HB3 LEU 11 HB3 LEU 11 11.977 1.666 -20.124 110 HG LEU 11 HG LEU 11 11.382 4.335 -21.403 111 HD11 LEU 11 HD11 LEU 11 13.794 4.013 -22.185 112 HD12 LEU 11 HD12 LEU 11 13.536 4.517 -20.514 113 HD13 LEU 11 HD13 LEU 11 13.928 2.837 -20.878 114 HD21 LEU 11 HD21 LEU 11 11.692 1.573 -22.450 115 HD22 LEU 11 HD22 LEU 11 10.670 2.893 -23.018 116 HD23 LEU 11 HD23 LEU 11 12.395 2.895 -23.382 Start of MODEL 3 1 H1 LYS 1 H LYS 1 2.384 5.512 0.410 2 HA LYS 1 HA LYS 1 0.649 4.776 -1.853 3 HB2 LYS 1 HB2 LYS 1 2.814 6.798 -1.523 4 HB3 LYS 1 HB3 LYS 1 2.625 6.045 -3.101 5 HG2 LYS 1 HG2 LYS 1 1.367 8.032 -3.163 6 HG3 LYS 1 HG3 LYS 1 0.198 6.720 -3.001 7 HD2 LYS 1 HD2 LYS 1 0.087 7.145 -0.580 8 HD3 LYS 1 HD3 LYS 1 1.222 8.482 -0.773 9 HE2 LYS 1 HE2 LYS 1 -0.561 9.273 -2.552 10 HE3 LYS 1 HE3 LYS 1 -1.637 8.275 -1.575 11 HZ1 LYS 1 HZ1 LYS 1 -1.801 10.344 -0.596 12 HZ2 LYS 1 HZ2 LYS 1 -0.641 9.590 0.377 13 HZ3 LYS 1 HZ3 LYS 1 -0.161 10.706 -0.801 14 H PHE 2 H PHE 2 1.028 2.590 -1.952 15 HA PHE 2 HA PHE 2 3.657 1.473 -1.806 16 HB2 PHE 2 HB2 PHE 2 0.998 0.318 -2.655 17 HB3 PHE 2 HB3 PHE 2 2.484 -0.624 -2.592 18 HD1 PHE 2 HD1 PHE 2 3.793 -0.067 -0.208 19 HD2 PHE 2 HD2 PHE 2 -0.406 -0.108 -0.905 20 HE1 PHE 2 HE1 PHE 2 3.405 -0.523 2.179 21 HE2 PHE 2 HE2 PHE 2 -0.801 -0.563 1.480 22 HZ PHE 2 HZ PHE 2 1.106 -0.770 3.026 23 H LYS 3 H LYS 3 4.775 0.376 -3.505 24 HA LYS 3 HA LYS 3 5.791 0.376 -5.546 25 HB2 LYS 3 HB2 LYS 3 3.054 0.645 -6.761 26 HB3 LYS 3 HB3 LYS 3 4.438 -0.262 -7.359 27 HG2 LYS 3 HG2 LYS 3 2.658 -0.949 -5.036 28 HG3 LYS 3 HG3 LYS 3 2.845 -1.826 -6.557 29 HD2 LYS 3 HD2 LYS 3 4.945 -1.481 -4.416 30 HD3 LYS 3 HD3 LYS 3 4.047 -2.958 -4.773 31 HE2 LYS 3 HE2 LYS 3 5.119 -2.247 -7.215 32 HE3 LYS 3 HE3 LYS 3 6.398 -1.836 -6.073 33 HZ1 LYS 3 HZ1 LYS 3 6.367 -4.184 -7.007 34 HZ2 LYS 3 HZ2 LYS 3 6.537 -4.026 -5.331 35 HZ3 LYS 3 HZ3 LYS 3 5.042 -4.461 -5.992 36 H LYS 4 H LYS 4 6.690 2.496 -5.135 37 HA LYS 4 HA LYS 4 5.530 4.922 -5.819 38 HB2 LYS 4 HB2 LYS 4 8.364 3.958 -5.689 39 HB3 LYS 4 HB3 LYS 4 8.020 5.571 -6.301 40 HG2 LYS 4 HG2 LYS 4 7.179 4.535 -3.601 41 HG3 LYS 4 HG3 LYS 4 8.590 5.551 -3.909 42 HD2 LYS 4 HD2 LYS 4 6.406 6.829 -5.138 43 HD3 LYS 4 HD3 LYS 4 5.849 6.314 -3.544 44 HE2 LYS 4 HE2 LYS 4 8.383 7.867 -4.057 45 HE3 LYS 4 HE3 LYS 4 6.850 8.589 -3.571 46 HZ1 LYS 4 HZ1 LYS 4 8.597 6.781 -2.016 47 HZ2 LYS 4 HZ2 LYS 4 8.049 8.327 -1.603 48 HZ3 LYS 4 HZ3 LYS 4 6.975 7.019 -1.599 49 H VAL 5 H VAL 5 6.442 6.350 -7.664 50 HA VAL 5 HA VAL 5 5.623 5.146 -10.129 51 HB VAL 5 HB VAL 5 6.847 7.865 -9.640 52 HG11 VAL 5 HG11 VAL 5 5.884 6.482 -12.054 53 HG12 VAL 5 HG12 VAL 5 5.318 8.139 -11.848 54 HG13 VAL 5 HG13 VAL 5 7.048 7.796 -11.884 55 HG21 VAL 5 HG21 VAL 5 4.318 8.456 -10.062 56 HG22 VAL 5 HG22 VAL 5 4.065 6.814 -9.470 57 HG23 VAL 5 HG23 VAL 5 4.887 8.000 -8.456 58 H ILE 6 H ILE 6 6.830 4.607 -11.904 59 HA ILE 6 HA ILE 6 9.741 4.919 -11.748 60 HB ILE 6 HB ILE 6 9.463 2.437 -12.920 61 HG12 ILE 6 HG12 ILE 6 8.186 1.148 -11.163 62 HG13 ILE 6 HG13 ILE 6 7.564 2.689 -10.582 63 HG21 ILE 6 HG21 ILE 6 11.209 2.293 -11.551 64 HG22 ILE 6 HG22 ILE 6 10.598 3.600 -10.536 65 HG23 ILE 6 HG23 ILE 6 10.073 1.941 -10.250 66 HD11 ILE 6 HD11 ILE 6 5.883 1.878 -11.960 67 HD12 ILE 6 HD12 ILE 6 6.740 3.033 -12.982 68 HD13 ILE 6 HD13 ILE 6 7.025 1.303 -13.176 69 H TRP 7 H TRP 7 9.844 6.364 -13.412 70 HA TRP 7 HA TRP 7 8.417 5.974 -15.871 71 HB2 TRP 7 HB2 TRP 7 8.917 8.230 -15.085 72 HB3 TRP 7 HB3 TRP 7 10.644 7.894 -15.155 73 HD1 TRP 7 HD1 TRP 7 7.635 8.585 -17.426 74 HE1 TRP 7 HE1 TRP 7 8.504 9.252 -19.756 75 HE3 TRP 7 HE3 TRP 7 12.613 7.646 -16.736 76 HZ2 TRP 7 HZ2 TRP 7 10.973 9.364 -21.120 77 HZ3 TRP 7 HZ3 TRP 7 14.161 8.059 -18.603 78 HH2 TRP 7 HH2 TRP 7 13.356 8.899 -20.749 79 H LYS 8 H LYS 8 11.712 5.453 -14.737 80 HA LYS 8 HA LYS 8 13.017 4.967 -17.122 81 HB2 LYS 8 HB2 LYS 8 14.467 3.400 -15.754 82 HB3 LYS 8 HB3 LYS 8 14.312 5.040 -15.140 83 HG2 LYS 8 HG2 LYS 8 12.252 3.414 -14.012 84 HG3 LYS 8 HG3 LYS 8 13.816 2.626 -13.790 85 HD2 LYS 8 HD2 LYS 8 13.474 5.540 -13.180 86 HD3 LYS 8 HD3 LYS 8 12.990 4.313 -12.006 87 HE2 LYS 8 HE2 LYS 8 15.130 3.698 -11.566 88 HE3 LYS 8 HE3 LYS 8 15.673 4.012 -13.214 89 HZ1 LYS 8 HZ1 LYS 8 16.684 5.710 -12.107 90 HZ2 LYS 8 HZ2 LYS 8 15.226 6.475 -12.496 91 HZ3 LYS 8 HZ3 LYS 8 15.465 5.850 -10.942 92 H SER 9 H SER 9 10.871 2.868 -15.297 93 HA SER 9 HA SER 9 11.367 0.424 -16.483 94 HB2 SER 9 HB2 SER 9 9.401 1.494 -14.788 95 HB3 SER 9 HB3 SER 9 8.519 0.804 -16.150 96 HG SER 9 HG SER 9 9.674 -0.463 -14.112 97 H PHE 10 H PHE 10 9.511 3.148 -17.702 98 HA PHE 10 HA PHE 10 8.667 1.667 -20.055 99 HB2 PHE 10 HB2 PHE 10 8.182 4.502 -19.134 100 HB3 PHE 10 HB3 PHE 10 7.612 3.882 -20.681 101 HD1 PHE 10 HD1 PHE 10 7.387 3.368 -17.019 102 HD2 PHE 10 HD2 PHE 10 5.615 2.681 -20.828 103 HE1 PHE 10 HE1 PHE 10 5.366 2.497 -15.918 104 HE2 PHE 10 HE2 PHE 10 3.591 1.810 -19.733 105 HZ PHE 10 HZ PHE 10 3.464 1.718 -17.275 106 H LEU 11 H LEU 11 10.831 4.330 -19.214 107 HA LEU 11 HA LEU 11 12.451 5.424 -20.388 108 HB2 LEU 11 HB2 LEU 11 12.977 2.745 -20.420 109 HB3 LEU 11 HB3 LEU 11 13.042 3.146 -22.135 110 HG LEU 11 HG LEU 11 14.676 4.502 -19.992 111 HD11 LEU 11 HD11 LEU 11 16.456 3.128 -20.488 112 HD12 LEU 11 HD12 LEU 11 15.104 1.999 -20.562 113 HD13 LEU 11 HD13 LEU 11 15.792 2.650 -22.050 114 HD21 LEU 11 HD21 LEU 11 15.121 4.570 -22.960 115 HD22 LEU 11 HD22 LEU 11 14.080 5.741 -22.150 116 HD23 LEU 11 HD23 LEU 11 15.786 5.629 -21.716 Start of MODEL 4 1 H1 LYS 1 H LYS 1 5.191 2.437 -1.209 2 HA LYS 1 HA LYS 1 3.214 0.547 -0.147 3 HB2 LYS 1 HB2 LYS 1 2.907 3.556 -0.110 4 HB3 LYS 1 HB3 LYS 1 1.673 2.394 0.361 5 HG2 LYS 1 HG2 LYS 1 3.714 1.628 1.959 6 HG3 LYS 1 HG3 LYS 1 4.021 3.362 1.833 7 HD2 LYS 1 HD2 LYS 1 1.516 3.628 2.366 8 HD3 LYS 1 HD3 LYS 1 1.600 1.949 2.904 9 HE2 LYS 1 HE2 LYS 1 3.366 4.172 3.921 10 HE3 LYS 1 HE3 LYS 1 1.910 3.600 4.732 11 HZ1 LYS 1 HZ1 LYS 1 3.072 1.321 4.602 12 HZ2 LYS 1 HZ2 LYS 1 4.486 2.220 4.363 13 HZ3 LYS 1 HZ3 LYS 1 3.580 2.428 5.777 14 H PHE 2 H PHE 2 4.379 0.654 -2.735 15 HA PHE 2 HA PHE 2 3.792 0.558 -4.930 16 HB2 PHE 2 HB2 PHE 2 1.612 -0.369 -3.535 17 HB3 PHE 2 HB3 PHE 2 0.905 0.893 -4.539 18 HD1 PHE 2 HD1 PHE 2 -0.015 0.145 -6.491 19 HD2 PHE 2 HD2 PHE 2 3.448 -1.809 -4.972 20 HE1 PHE 2 HE1 PHE 2 -0.050 -1.399 -8.406 21 HE2 PHE 2 HE2 PHE 2 3.419 -3.355 -6.885 22 HZ PHE 2 HZ PHE 2 1.669 -3.151 -8.606 23 H LYS 3 H LYS 3 2.085 1.734 -6.564 24 HA LYS 3 HA LYS 3 1.764 3.682 -7.703 25 HB2 LYS 3 HB2 LYS 3 1.185 4.981 -5.055 26 HB3 LYS 3 HB3 LYS 3 0.440 5.292 -6.618 27 HG2 LYS 3 HG2 LYS 3 0.035 2.908 -4.833 28 HG3 LYS 3 HG3 LYS 3 -1.146 4.141 -5.281 29 HD2 LYS 3 HD2 LYS 3 0.127 2.123 -7.129 30 HD3 LYS 3 HD3 LYS 3 -1.537 2.099 -6.539 31 HE2 LYS 3 HE2 LYS 3 -1.274 4.619 -7.634 32 HE3 LYS 3 HE3 LYS 3 -0.350 3.597 -8.735 33 HZ1 LYS 3 HZ1 LYS 3 -2.884 2.472 -7.969 34 HZ2 LYS 3 HZ2 LYS 3 -3.030 3.938 -8.800 35 HZ3 LYS 3 HZ3 LYS 3 -2.198 2.645 -9.506 36 H LYS 4 H LYS 4 4.257 3.512 -7.799 37 HA LYS 4 HA LYS 4 5.378 6.026 -6.746 38 HB2 LYS 4 HB2 LYS 4 7.577 4.919 -6.677 39 HB3 LYS 4 HB3 LYS 4 6.411 4.133 -5.621 40 HG2 LYS 4 HG2 LYS 4 6.388 2.940 -8.243 41 HG3 LYS 4 HG3 LYS 4 8.013 2.934 -7.553 42 HD2 LYS 4 HD2 LYS 4 6.888 2.034 -5.427 43 HD3 LYS 4 HD3 LYS 4 5.500 1.700 -6.465 44 HE2 LYS 4 HE2 LYS 4 6.581 0.046 -7.609 45 HE3 LYS 4 HE3 LYS 4 8.170 0.776 -7.381 46 HZ1 LYS 4 HZ1 LYS 4 7.854 0.139 -4.946 47 HZ2 LYS 4 HZ2 LYS 4 6.617 -0.879 -5.491 48 HZ3 LYS 4 HZ3 LYS 4 8.202 -1.104 -6.040 49 H VAL 5 H VAL 5 7.274 6.809 -8.062 50 HA VAL 5 HA VAL 5 6.657 6.469 -10.919 51 HB VAL 5 HB VAL 5 8.115 8.774 -9.624 52 HG11 VAL 5 HG11 VAL 5 8.481 8.221 -12.087 53 HG12 VAL 5 HG12 VAL 5 6.804 8.711 -12.325 54 HG13 VAL 5 HG13 VAL 5 7.980 9.866 -11.697 55 HG21 VAL 5 HG21 VAL 5 5.230 8.606 -10.491 56 HG22 VAL 5 HG22 VAL 5 5.803 8.648 -8.824 57 HG23 VAL 5 HG23 VAL 5 6.048 10.042 -9.876 58 H ILE 6 H ILE 6 8.106 5.512 -12.181 59 HA ILE 6 HA ILE 6 10.947 5.692 -11.546 60 HB ILE 6 HB ILE 6 10.191 2.981 -12.352 61 HG12 ILE 6 HG12 ILE 6 9.349 4.059 -9.655 62 HG13 ILE 6 HG13 ILE 6 8.307 3.350 -10.885 63 HG21 ILE 6 HG21 ILE 6 12.431 4.070 -11.485 64 HG22 ILE 6 HG22 ILE 6 11.759 3.637 -9.913 65 HG23 ILE 6 HG23 ILE 6 12.029 2.390 -11.130 66 HD11 ILE 6 HD11 ILE 6 10.430 1.917 -9.307 67 HD12 ILE 6 HD12 ILE 6 8.685 1.786 -9.087 68 HD13 ILE 6 HD13 ILE 6 9.434 1.197 -10.571 69 H TRP 7 H TRP 7 11.574 6.694 -13.368 70 HA TRP 7 HA TRP 7 10.464 6.524 -15.889 71 HB2 TRP 7 HB2 TRP 7 12.060 8.248 -15.393 72 HB3 TRP 7 HB3 TRP 7 13.322 7.063 -15.070 73 HD1 TRP 7 HD1 TRP 7 15.050 7.303 -16.941 74 HE1 TRP 7 HE1 TRP 7 14.978 7.461 -19.509 75 HE3 TRP 7 HE3 TRP 7 9.983 7.454 -17.603 76 HZ2 TRP 7 HZ2 TRP 7 13.031 7.627 -21.546 77 HZ3 TRP 7 HZ3 TRP 7 9.097 7.613 -19.893 78 HH2 TRP 7 HH2 TRP 7 10.591 7.698 -21.822 79 H LYS 8 H LYS 8 12.838 4.424 -14.371 80 HA LYS 8 HA LYS 8 13.736 2.996 -16.573 81 HB2 LYS 8 HB2 LYS 8 13.209 1.965 -13.779 82 HB3 LYS 8 HB3 LYS 8 14.201 1.161 -14.988 83 HG2 LYS 8 HG2 LYS 8 15.967 2.321 -14.340 84 HG3 LYS 8 HG3 LYS 8 15.130 3.834 -14.695 85 HD2 LYS 8 HD2 LYS 8 14.251 3.967 -12.497 86 HD3 LYS 8 HD3 LYS 8 14.720 2.304 -12.134 87 HE2 LYS 8 HE2 LYS 8 16.685 4.503 -12.754 88 HE3 LYS 8 HE3 LYS 8 16.184 4.072 -11.120 89 HZ1 LYS 8 HZ1 LYS 8 17.511 2.301 -11.118 90 HZ2 LYS 8 HZ2 LYS 8 17.037 1.812 -12.666 91 HZ3 LYS 8 HZ3 LYS 8 18.256 2.970 -12.481 92 H SER 9 H SER 9 10.749 2.680 -14.750 93 HA SER 9 HA SER 9 9.948 0.306 -16.210 94 HB2 SER 9 HB2 SER 9 9.294 1.377 -13.716 95 HB3 SER 9 HB3 SER 9 7.832 1.581 -14.681 96 HG SER 9 HG SER 9 7.669 -0.563 -14.924 97 H PHE 10 H PHE 10 9.205 3.741 -16.133 98 HA PHE 10 HA PHE 10 6.939 3.728 -17.776 99 HB2 PHE 10 HB2 PHE 10 9.016 5.779 -17.104 100 HB3 PHE 10 HB3 PHE 10 7.834 6.123 -18.362 101 HD1 PHE 10 HD1 PHE 10 8.493 6.121 -14.872 102 HD2 PHE 10 HD2 PHE 10 5.360 5.884 -17.743 103 HE1 PHE 10 HE1 PHE 10 6.870 6.798 -13.151 104 HE2 PHE 10 HE2 PHE 10 3.732 6.561 -16.027 105 HZ PHE 10 HZ PHE 10 4.486 7.019 -13.728 106 H LEU 11 H LEU 11 10.365 3.693 -18.543 107 HA LEU 11 HA LEU 11 9.807 3.874 -21.401 108 HB2 LEU 11 HB2 LEU 11 11.669 5.121 -21.067 109 HB3 LEU 11 HB3 LEU 11 12.187 4.171 -19.676 110 HG LEU 11 HG LEU 11 13.025 2.430 -21.191 111 HD11 LEU 11 HD11 LEU 11 12.506 2.337 -23.348 112 HD12 LEU 11 HD12 LEU 11 11.376 3.661 -23.064 113 HD13 LEU 11 HD13 LEU 11 13.018 4.005 -23.608 114 HD21 LEU 11 HD21 LEU 11 14.462 4.309 -20.415 115 HD22 LEU 11 HD22 LEU 11 14.965 3.611 -21.954 116 HD23 LEU 11 HD23 LEU 11 14.101 5.148 -21.924 Start of MODEL 5 1 H1 LYS 1 H LYS 1 5.574 4.103 -0.935 2 HA LYS 1 HA LYS 1 4.575 1.538 0.057 3 HB2 LYS 1 HB2 LYS 1 2.557 2.795 0.990 4 HB3 LYS 1 HB3 LYS 1 4.050 2.885 1.916 5 HG2 LYS 1 HG2 LYS 1 3.621 5.022 -0.071 6 HG3 LYS 1 HG3 LYS 1 2.541 5.016 1.326 7 HD2 LYS 1 HD2 LYS 1 4.925 4.607 2.537 8 HD3 LYS 1 HD3 LYS 1 5.427 5.589 1.158 9 HE2 LYS 1 HE2 LYS 1 3.096 6.783 2.183 10 HE3 LYS 1 HE3 LYS 1 4.103 6.387 3.575 11 HZ1 LYS 1 HZ1 LYS 1 5.677 7.509 1.507 12 HZ2 LYS 1 HZ2 LYS 1 4.383 8.539 1.865 13 HZ3 LYS 1 HZ3 LYS 1 5.448 8.061 3.090 14 H PHE 2 H PHE 2 4.445 1.011 -2.179 15 HA PHE 2 HA PHE 2 3.351 0.733 -4.152 16 HB2 PHE 2 HB2 PHE 2 1.316 1.435 -2.229 17 HB3 PHE 2 HB3 PHE 2 0.896 2.060 -3.821 18 HD1 PHE 2 HD1 PHE 2 -0.649 0.701 -4.827 19 HD2 PHE 2 HD2 PHE 2 2.553 -1.074 -2.657 20 HE1 PHE 2 HE1 PHE 2 -1.439 -1.532 -5.495 21 HE2 PHE 2 HE2 PHE 2 1.770 -3.309 -3.322 22 HZ PHE 2 HZ PHE 2 -0.228 -3.541 -4.743 23 H LYS 3 H LYS 3 1.894 2.123 -5.813 24 HA LYS 3 HA LYS 3 2.041 3.780 -7.371 25 HB2 LYS 3 HB2 LYS 3 2.330 5.554 -4.941 26 HB3 LYS 3 HB3 LYS 3 1.766 6.041 -6.534 27 HG2 LYS 3 HG2 LYS 3 -0.317 5.407 -6.092 28 HG3 LYS 3 HG3 LYS 3 0.210 3.848 -5.453 29 HD2 LYS 3 HD2 LYS 3 0.992 5.454 -3.445 30 HD3 LYS 3 HD3 LYS 3 -0.385 6.379 -4.047 31 HE2 LYS 3 HE2 LYS 3 -0.685 3.445 -3.603 32 HE3 LYS 3 HE3 LYS 3 -0.698 4.527 -2.211 33 HZ1 LYS 3 HZ1 LYS 3 -2.930 4.125 -3.033 34 HZ2 LYS 3 HZ2 LYS 3 -2.516 5.754 -3.230 35 HZ3 LYS 3 HZ3 LYS 3 -2.504 4.711 -4.562 36 H LYS 4 H LYS 4 4.489 2.493 -6.830 37 HA LYS 4 HA LYS 4 6.660 4.167 -6.342 38 HB2 LYS 4 HB2 LYS 4 6.440 1.717 -8.095 39 HB3 LYS 4 HB3 LYS 4 7.966 2.497 -7.698 40 HG2 LYS 4 HG2 LYS 4 6.163 1.677 -5.479 41 HG3 LYS 4 HG3 LYS 4 7.093 0.440 -6.328 42 HD2 LYS 4 HD2 LYS 4 8.670 2.793 -5.622 43 HD3 LYS 4 HD3 LYS 4 7.989 1.961 -4.221 44 HE2 LYS 4 HE2 LYS 4 9.589 0.642 -6.412 45 HE3 LYS 4 HE3 LYS 4 10.235 1.135 -4.848 46 HZ1 LYS 4 HZ1 LYS 4 8.336 -1.031 -5.464 47 HZ2 LYS 4 HZ2 LYS 4 9.747 -1.082 -4.531 48 HZ3 LYS 4 HZ3 LYS 4 8.356 -0.336 -3.922 49 H VAL 5 H VAL 5 8.395 4.448 -8.227 50 HA VAL 5 HA VAL 5 7.313 6.449 -9.948 51 HB VAL 5 HB VAL 5 10.066 5.205 -9.953 52 HG11 VAL 5 HG11 VAL 5 10.514 7.592 -10.979 53 HG12 VAL 5 HG12 VAL 5 10.019 6.237 -11.995 54 HG13 VAL 5 HG13 VAL 5 8.831 7.437 -11.485 55 HG21 VAL 5 HG21 VAL 5 10.129 6.222 -7.936 56 HG22 VAL 5 HG22 VAL 5 10.403 7.664 -8.914 57 HG23 VAL 5 HG23 VAL 5 8.784 7.298 -8.316 58 H ILE 6 H ILE 6 6.738 6.348 -12.041 59 HA ILE 6 HA ILE 6 6.581 3.732 -13.281 60 HB ILE 6 HB ILE 6 5.583 6.414 -14.247 61 HG12 ILE 6 HG12 ILE 6 4.479 5.577 -12.193 62 HG13 ILE 6 HG13 ILE 6 3.384 5.621 -13.570 63 HG21 ILE 6 HG21 ILE 6 4.231 5.054 -15.829 64 HG22 ILE 6 HG22 ILE 6 5.967 4.982 -16.133 65 HG23 ILE 6 HG23 ILE 6 5.156 3.636 -15.333 66 HD11 ILE 6 HD11 ILE 6 4.661 3.062 -13.413 67 HD12 ILE 6 HD12 ILE 6 3.910 3.471 -11.870 68 HD13 ILE 6 HD13 ILE 6 2.946 3.468 -13.347 69 H TRP 7 H TRP 7 8.568 6.527 -13.436 70 HA TRP 7 HA TRP 7 9.478 6.571 -16.032 71 HB2 TRP 7 HB2 TRP 7 10.172 8.208 -14.352 72 HB3 TRP 7 HB3 TRP 7 11.099 6.970 -13.508 73 HD1 TRP 7 HD1 TRP 7 13.575 7.466 -13.894 74 HE1 TRP 7 HE1 TRP 7 15.040 8.102 -15.912 75 HE3 TRP 7 HE3 TRP 7 9.919 7.921 -17.438 76 HZ2 TRP 7 HZ2 TRP 7 14.692 8.716 -18.645 77 HZ3 TRP 7 HZ3 TRP 7 10.569 8.537 -19.730 78 HH2 TRP 7 HH2 TRP 7 12.906 8.926 -20.319 79 H LYS 8 H LYS 8 10.298 4.329 -13.458 80 HA LYS 8 HA LYS 8 12.544 3.101 -14.488 81 HB2 LYS 8 HB2 LYS 8 10.253 1.726 -13.072 82 HB3 LYS 8 HB3 LYS 8 11.903 1.130 -13.199 83 HG2 LYS 8 HG2 LYS 8 12.659 2.476 -11.563 84 HG3 LYS 8 HG3 LYS 8 11.606 3.814 -12.028 85 HD2 LYS 8 HD2 LYS 8 10.537 3.273 -10.112 86 HD3 LYS 8 HD3 LYS 8 9.768 2.058 -11.137 87 HE2 LYS 8 HE2 LYS 8 10.523 0.994 -9.124 88 HE3 LYS 8 HE3 LYS 8 11.539 0.452 -10.459 89 HZ1 LYS 8 HZ1 LYS 8 12.308 2.666 -8.645 90 HZ2 LYS 8 HZ2 LYS 8 12.739 1.054 -8.364 91 HZ3 LYS 8 HZ3 LYS 8 13.289 1.847 -9.753 92 H SER 9 H SER 9 9.146 2.486 -15.263 93 HA SER 9 HA SER 9 9.771 0.363 -17.101 94 HB2 SER 9 HB2 SER 9 7.659 0.157 -16.064 95 HB3 SER 9 HB3 SER 9 7.240 1.839 -16.391 96 HG SER 9 HG SER 9 6.449 1.221 -18.226 97 H PHE 10 H PHE 10 9.035 3.794 -17.305 98 HA PHE 10 HA PHE 10 8.650 3.969 -20.079 99 HB2 PHE 10 HB2 PHE 10 9.323 5.879 -17.902 100 HB3 PHE 10 HB3 PHE 10 9.638 6.402 -19.554 101 HD1 PHE 10 HD1 PHE 10 6.882 4.321 -18.168 102 HD2 PHE 10 HD2 PHE 10 8.013 7.964 -20.056 103 HE1 PHE 10 HE1 PHE 10 4.510 4.920 -18.424 104 HE2 PHE 10 HE2 PHE 10 5.642 8.570 -20.314 105 HZ PHE 10 HZ PHE 10 3.887 7.048 -19.497 106 H LEU 11 H LEU 11 11.578 4.271 -18.107 107 HA LEU 11 HA LEU 11 13.388 5.043 -20.046 108 HB2 LEU 11 HB2 LEU 11 13.492 4.117 -17.406 109 HB3 LEU 11 HB3 LEU 11 14.558 3.054 -18.322 110 HG LEU 11 HG LEU 11 14.764 6.051 -18.061 111 HD11 LEU 11 HD11 LEU 11 17.050 5.328 -17.160 112 HD12 LEU 11 HD12 LEU 11 15.643 5.103 -16.120 113 HD13 LEU 11 HD13 LEU 11 16.327 3.728 -16.988 114 HD21 LEU 11 HD21 LEU 11 15.722 5.993 -20.077 115 HD22 LEU 11 HD22 LEU 11 17.056 5.151 -19.287 116 HD23 LEU 11 HD23 LEU 11 15.785 4.230 -20.092 Start of MODEL 6 1 H1 LYS 1 H LYS 1 3.257 0.447 -3.635 2 HA LYS 1 HA LYS 1 2.571 0.954 -0.957 3 HB2 LYS 1 HB2 LYS 1 5.255 0.004 -1.359 4 HB3 LYS 1 HB3 LYS 1 5.298 1.671 -0.799 5 HG2 LYS 1 HG2 LYS 1 4.249 1.157 1.208 6 HG3 LYS 1 HG3 LYS 1 3.601 -0.364 0.591 7 HD2 LYS 1 HD2 LYS 1 5.349 -1.421 1.468 8 HD3 LYS 1 HD3 LYS 1 6.405 -0.531 0.368 9 HE2 LYS 1 HE2 LYS 1 6.101 1.359 2.196 10 HE3 LYS 1 HE3 LYS 1 5.772 -0.030 3.231 11 HZ1 LYS 1 HZ1 LYS 1 7.964 -0.879 2.041 12 HZ2 LYS 1 HZ2 LYS 1 8.260 0.784 1.948 13 HZ3 LYS 1 HZ3 LYS 1 8.007 0.052 3.453 14 H PHE 2 H PHE 2 1.519 2.743 -1.668 15 HA PHE 2 HA PHE 2 1.199 4.898 -2.318 16 HB2 PHE 2 HB2 PHE 2 3.285 5.092 -0.748 17 HB3 PHE 2 HB3 PHE 2 4.154 5.398 -2.249 18 HD1 PHE 2 HD1 PHE 2 4.311 7.556 -3.033 19 HD2 PHE 2 HD2 PHE 2 1.150 6.545 -0.369 20 HE1 PHE 2 HE1 PHE 2 3.635 9.920 -2.944 21 HE2 PHE 2 HE2 PHE 2 0.468 8.906 -0.276 22 HZ PHE 2 HZ PHE 2 1.710 10.598 -1.565 23 H LYS 3 H LYS 3 1.924 2.736 -4.254 24 HA LYS 3 HA LYS 3 2.359 2.462 -6.474 25 HB2 LYS 3 HB2 LYS 3 1.629 5.372 -6.768 26 HB3 LYS 3 HB3 LYS 3 1.395 4.072 -7.930 27 HG2 LYS 3 HG2 LYS 3 -0.040 4.338 -5.296 28 HG3 LYS 3 HG3 LYS 3 -0.701 4.759 -6.878 29 HD2 LYS 3 HD2 LYS 3 -1.337 2.652 -7.187 30 HD3 LYS 3 HD3 LYS 3 0.331 2.106 -7.003 31 HE2 LYS 3 HE2 LYS 3 -0.099 2.296 -4.479 32 HE3 LYS 3 HE3 LYS 3 -1.806 2.367 -4.912 33 HZ1 LYS 3 HZ1 LYS 3 -0.712 0.236 -6.309 34 HZ2 LYS 3 HZ2 LYS 3 -0.123 0.111 -4.727 35 HZ3 LYS 3 HZ3 LYS 3 -1.791 0.169 -5.007 36 H LYS 4 H LYS 4 4.624 2.195 -6.164 37 HA LYS 4 HA LYS 4 6.523 4.228 -6.076 38 HB2 LYS 4 HB2 LYS 4 6.750 1.464 -7.281 39 HB3 LYS 4 HB3 LYS 4 8.113 2.521 -6.938 40 HG2 LYS 4 HG2 LYS 4 8.168 1.884 -4.816 41 HG3 LYS 4 HG3 LYS 4 6.444 2.203 -4.609 42 HD2 LYS 4 HD2 LYS 4 6.059 -0.013 -5.810 43 HD3 LYS 4 HD3 LYS 4 7.779 -0.318 -5.560 44 HE2 LYS 4 HE2 LYS 4 7.297 0.211 -3.090 45 HE3 LYS 4 HE3 LYS 4 5.602 -0.013 -3.519 46 HZ1 LYS 4 HZ1 LYS 4 5.932 -2.170 -3.211 47 HZ2 LYS 4 HZ2 LYS 4 6.924 -2.179 -4.582 48 HZ3 LYS 4 HZ3 LYS 4 7.604 -1.971 -3.046 49 H VAL 5 H VAL 5 7.677 5.354 -7.603 50 HA VAL 5 HA VAL 5 6.623 5.222 -10.353 51 HB VAL 5 HB VAL 5 7.827 7.592 -8.917 52 HG11 VAL 5 HG11 VAL 5 7.207 7.057 -11.744 53 HG12 VAL 5 HG12 VAL 5 6.643 8.607 -11.121 54 HG13 VAL 5 HG13 VAL 5 8.353 8.189 -11.026 55 HG21 VAL 5 HG21 VAL 5 5.356 8.384 -9.560 56 HG22 VAL 5 HG22 VAL 5 5.054 6.658 -9.358 57 HG23 VAL 5 HG23 VAL 5 5.738 7.595 -8.030 58 H ILE 6 H ILE 6 7.991 4.738 -11.947 59 HA ILE 6 HA ILE 6 10.848 5.234 -11.628 60 HB ILE 6 HB ILE 6 10.333 2.590 -12.774 61 HG12 ILE 6 HG12 ILE 6 9.742 3.126 -9.857 62 HG13 ILE 6 HG13 ILE 6 8.639 2.462 -11.057 63 HG21 ILE 6 HG21 ILE 6 12.358 2.059 -11.793 64 HG22 ILE 6 HG22 ILE 6 12.531 3.790 -12.089 65 HG23 ILE 6 HG23 ILE 6 12.137 3.206 -10.472 66 HD11 ILE 6 HD11 ILE 6 9.453 0.722 -9.598 67 HD12 ILE 6 HD12 ILE 6 10.059 0.473 -11.235 68 HD13 ILE 6 HD13 ILE 6 11.121 1.137 -9.993 69 H TRP 7 H TRP 7 11.086 6.573 -13.321 70 HA TRP 7 HA TRP 7 9.657 6.462 -15.730 71 HB2 TRP 7 HB2 TRP 7 10.778 8.494 -15.071 72 HB3 TRP 7 HB3 TRP 7 12.345 7.690 -15.094 73 HD1 TRP 7 HD1 TRP 7 13.653 8.662 -17.065 74 HE1 TRP 7 HE1 TRP 7 13.160 9.158 -19.542 75 HE3 TRP 7 HE3 TRP 7 8.681 7.476 -17.155 76 HZ2 TRP 7 HZ2 TRP 7 10.954 9.059 -21.301 77 HZ3 TRP 7 HZ3 TRP 7 7.452 7.705 -19.275 78 HH2 TRP 7 HH2 TRP 7 8.567 8.480 -21.304 79 H LYS 8 H LYS 8 12.791 5.104 -14.817 80 HA LYS 8 HA LYS 8 13.684 4.230 -17.285 81 HB2 LYS 8 HB2 LYS 8 15.033 2.615 -16.089 82 HB3 LYS 8 HB3 LYS 8 14.992 4.122 -15.184 83 HG2 LYS 8 HG2 LYS 8 13.013 2.971 -13.926 84 HG3 LYS 8 HG3 LYS 8 13.749 1.492 -14.546 85 HD2 LYS 8 HD2 LYS 8 15.403 3.555 -13.135 86 HD3 LYS 8 HD3 LYS 8 14.470 2.366 -12.223 87 HE2 LYS 8 HE2 LYS 8 16.049 0.843 -12.560 88 HE3 LYS 8 HE3 LYS 8 15.872 1.020 -14.305 89 HZ1 LYS 8 HZ1 LYS 8 18.005 1.677 -14.137 90 HZ2 LYS 8 HZ2 LYS 8 17.317 3.173 -13.749 91 HZ3 LYS 8 HZ3 LYS 8 17.867 2.150 -12.519 92 H SER 9 H SER 9 11.293 2.803 -15.144 93 HA SER 9 HA SER 9 11.054 0.378 -16.671 94 HB2 SER 9 HB2 SER 9 10.459 0.934 -14.122 95 HB3 SER 9 HB3 SER 9 8.872 1.230 -14.833 96 HG SER 9 HG SER 9 8.717 -0.846 -15.403 97 H PHE 10 H PHE 10 9.361 3.451 -16.471 98 HA PHE 10 HA PHE 10 7.130 2.724 -18.051 99 HB2 PHE 10 HB2 PHE 10 8.335 5.278 -17.108 100 HB3 PHE 10 HB3 PHE 10 7.203 5.360 -18.454 101 HD1 PHE 10 HD1 PHE 10 7.366 3.457 -15.244 102 HD2 PHE 10 HD2 PHE 10 5.105 5.996 -17.805 103 HE1 PHE 10 HE1 PHE 10 5.485 3.376 -13.659 104 HE2 PHE 10 HE2 PHE 10 3.222 5.920 -16.224 105 HZ PHE 10 HZ PHE 10 3.410 4.610 -14.148 106 H LEU 11 H LEU 11 10.294 4.068 -18.822 107 HA LEU 11 HA LEU 11 9.924 4.807 -21.456 108 HB2 LEU 11 HB2 LEU 11 12.057 4.613 -19.756 109 HB3 LEU 11 HB3 LEU 11 12.442 3.395 -20.970 110 HG LEU 11 HG LEU 11 11.850 6.289 -21.581 111 HD11 LEU 11 HD11 LEU 11 14.253 4.995 -20.617 112 HD12 LEU 11 HD12 LEU 11 14.496 5.752 -22.191 113 HD13 LEU 11 HD13 LEU 11 13.901 6.709 -20.835 114 HD21 LEU 11 HD21 LEU 11 12.303 5.828 -23.782 115 HD22 LEU 11 HD22 LEU 11 13.267 4.401 -23.400 116 HD23 LEU 11 HD23 LEU 11 11.509 4.331 -23.293 Start of MODEL 7 1 H1 LYS 1 H LYS 1 -0.311 -1.459 -1.195 2 HA LYS 1 HA LYS 1 1.185 -0.962 -2.869 3 HB2 LYS 1 HB2 LYS 1 0.294 0.683 -4.455 4 HB3 LYS 1 HB3 LYS 1 -0.975 -0.376 -3.852 5 HG2 LYS 1 HG2 LYS 1 -2.133 1.473 -3.445 6 HG3 LYS 1 HG3 LYS 1 -1.032 1.741 -2.092 7 HD2 LYS 1 HD2 LYS 1 -0.577 3.692 -3.099 8 HD3 LYS 1 HD3 LYS 1 0.404 2.723 -4.202 9 HE2 LYS 1 HE2 LYS 1 -1.287 2.671 -5.830 10 HE3 LYS 1 HE3 LYS 1 -2.521 3.199 -4.687 11 HZ1 LYS 1 HZ1 LYS 1 -2.021 5.333 -5.028 12 HZ2 LYS 1 HZ2 LYS 1 -0.351 5.065 -4.998 13 HZ3 LYS 1 HZ3 LYS 1 -1.224 4.806 -6.424 14 H PHE 2 H PHE 2 2.553 0.789 -3.923 15 HA PHE 2 HA PHE 2 3.351 2.817 -1.946 16 HB2 PHE 2 HB2 PHE 2 4.897 0.586 -2.953 17 HB3 PHE 2 HB3 PHE 2 5.677 2.116 -3.340 18 HD1 PHE 2 HD1 PHE 2 6.592 3.514 -1.624 19 HD2 PHE 2 HD2 PHE 2 4.541 -0.082 -0.635 20 HE1 PHE 2 HE1 PHE 2 7.473 3.646 0.670 21 HE2 PHE 2 HE2 PHE 2 5.418 0.045 1.660 22 HZ PHE 2 HZ PHE 2 6.885 1.911 2.315 23 H LYS 3 H LYS 3 4.703 4.563 -2.911 24 HA LYS 3 HA LYS 3 3.710 5.203 -5.605 25 HB2 LYS 3 HB2 LYS 3 4.274 7.580 -4.945 26 HB3 LYS 3 HB3 LYS 3 2.951 6.835 -4.057 27 HG2 LYS 3 HG2 LYS 3 5.485 6.393 -2.741 28 HG3 LYS 3 HG3 LYS 3 5.168 8.112 -2.990 29 HD2 LYS 3 HD2 LYS 3 2.938 7.806 -1.957 30 HD3 LYS 3 HD3 LYS 3 3.350 6.121 -1.632 31 HE2 LYS 3 HE2 LYS 3 3.971 7.003 0.364 32 HE3 LYS 3 HE3 LYS 3 5.473 7.283 -0.515 33 HZ1 LYS 3 HZ1 LYS 3 4.274 9.191 0.814 34 HZ2 LYS 3 HZ2 LYS 3 5.104 9.507 -0.626 35 HZ3 LYS 3 HZ3 LYS 3 3.418 9.359 -0.636 36 H LYS 4 H LYS 4 5.579 3.694 -6.201 37 HA LYS 4 HA LYS 4 8.089 5.230 -6.352 38 HB2 LYS 4 HB2 LYS 4 9.102 2.935 -6.864 39 HB3 LYS 4 HB3 LYS 4 8.585 3.237 -5.210 40 HG2 LYS 4 HG2 LYS 4 6.502 2.016 -5.654 41 HG3 LYS 4 HG3 LYS 4 7.064 1.682 -7.293 42 HD2 LYS 4 HD2 LYS 4 9.158 0.716 -6.040 43 HD3 LYS 4 HD3 LYS 4 8.029 0.588 -4.689 44 HE2 LYS 4 HE2 LYS 4 7.010 -1.178 -5.593 45 HE3 LYS 4 HE3 LYS 4 6.881 -0.391 -7.166 46 HZ1 LYS 4 HZ1 LYS 4 9.520 -1.355 -6.386 47 HZ2 LYS 4 HZ2 LYS 4 8.364 -2.531 -6.765 48 HZ3 LYS 4 HZ3 LYS 4 8.774 -1.350 -7.905 49 H VAL 5 H VAL 5 6.417 6.116 -8.146 50 HA VAL 5 HA VAL 5 6.390 4.610 -10.588 51 HB VAL 5 HB VAL 5 5.780 7.538 -10.159 52 HG11 VAL 5 HG11 VAL 5 5.873 5.855 -12.515 53 HG12 VAL 5 HG12 VAL 5 4.278 6.568 -12.278 54 HG13 VAL 5 HG13 VAL 5 5.700 7.605 -12.385 55 HG21 VAL 5 HG21 VAL 5 4.315 6.237 -8.782 56 HG22 VAL 5 HG22 VAL 5 3.405 6.767 -10.197 57 HG23 VAL 5 HG23 VAL 5 3.996 5.108 -10.099 58 H ILE 6 H ILE 6 7.835 4.611 -12.193 59 HA ILE 6 HA ILE 6 9.750 6.798 -12.438 60 HB ILE 6 HB ILE 6 11.044 4.189 -12.742 61 HG12 ILE 6 HG12 ILE 6 10.091 5.109 -10.024 62 HG13 ILE 6 HG13 ILE 6 9.701 3.591 -10.825 63 HG21 ILE 6 HG21 ILE 6 12.127 6.188 -10.889 64 HG22 ILE 6 HG22 ILE 6 12.884 5.383 -12.264 65 HG23 ILE 6 HG23 ILE 6 11.837 6.777 -12.526 66 HD11 ILE 6 HD11 ILE 6 11.335 3.238 -9.086 67 HD12 ILE 6 HD12 ILE 6 12.054 2.925 -10.666 68 HD13 ILE 6 HD13 ILE 6 12.408 4.431 -9.818 69 H TRP 7 H TRP 7 9.204 7.420 -14.445 70 HA TRP 7 HA TRP 7 8.234 5.822 -16.503 71 HB2 TRP 7 HB2 TRP 7 8.005 8.207 -16.638 72 HB3 TRP 7 HB3 TRP 7 9.751 8.433 -16.598 73 HD1 TRP 7 HD1 TRP 7 10.415 9.326 -18.903 74 HE1 TRP 7 HE1 TRP 7 9.926 8.669 -21.344 75 HE3 TRP 7 HE3 TRP 7 7.024 5.590 -18.076 76 HZ2 TRP 7 HZ2 TRP 7 8.316 6.814 -22.734 77 HZ3 TRP 7 HZ3 TRP 7 6.056 4.425 -20.016 78 HH2 TRP 7 HH2 TRP 7 6.690 5.026 -22.296 79 H LYS 8 H LYS 8 11.541 6.577 -15.584 80 HA LYS 8 HA LYS 8 12.917 5.704 -17.823 81 HB2 LYS 8 HB2 LYS 8 13.737 5.339 -14.936 82 HB3 LYS 8 HB3 LYS 8 14.812 5.300 -16.327 83 HG2 LYS 8 HG2 LYS 8 15.034 7.504 -16.304 84 HG3 LYS 8 HG3 LYS 8 13.284 7.739 -16.295 85 HD2 LYS 8 HD2 LYS 8 13.710 8.648 -14.267 86 HD3 LYS 8 HD3 LYS 8 13.654 6.962 -13.748 87 HE2 LYS 8 HE2 LYS 8 16.263 7.914 -14.734 88 HE3 LYS 8 HE3 LYS 8 15.705 8.643 -13.229 89 HZ1 LYS 8 HZ1 LYS 8 16.999 6.283 -13.426 90 HZ2 LYS 8 HZ2 LYS 8 16.048 6.759 -12.110 91 HZ3 LYS 8 HZ3 LYS 8 15.385 5.784 -13.324 92 H SER 9 H SER 9 11.466 3.842 -15.222 93 HA SER 9 HA SER 9 12.565 1.346 -16.203 94 HB2 SER 9 HB2 SER 9 12.393 1.291 -13.884 95 HB3 SER 9 HB3 SER 9 10.847 2.140 -13.877 96 HG SER 9 HG SER 9 9.946 0.256 -13.825 97 H PHE 10 H PHE 10 9.504 3.073 -16.224 98 HA PHE 10 HA PHE 10 7.851 1.021 -17.165 99 HB2 PHE 10 HB2 PHE 10 7.742 3.987 -17.124 100 HB3 PHE 10 HB3 PHE 10 6.676 3.176 -18.266 101 HD1 PHE 10 HD1 PHE 10 7.745 2.669 -14.722 102 HD2 PHE 10 HD2 PHE 10 4.541 2.866 -17.517 103 HE1 PHE 10 HE1 PHE 10 6.140 2.235 -12.908 104 HE2 PHE 10 HE2 PHE 10 2.931 2.433 -15.708 105 HZ PHE 10 HZ PHE 10 3.730 2.118 -13.399 106 H LEU 11 H LEU 11 10.014 3.215 -18.852 107 HA LEU 11 HA LEU 11 9.195 2.128 -21.439 108 HB2 LEU 11 HB2 LEU 11 9.422 4.357 -21.779 109 HB3 LEU 11 HB3 LEU 11 10.634 4.537 -20.513 110 HG LEU 11 HG LEU 11 12.338 3.630 -22.028 111 HD11 LEU 11 HD11 LEU 11 11.810 2.511 -23.866 112 HD12 LEU 11 HD12 LEU 11 10.102 2.736 -23.486 113 HD13 LEU 11 HD13 LEU 11 10.940 3.906 -24.504 114 HD21 LEU 11 HD21 LEU 11 12.175 5.546 -23.748 115 HD22 LEU 11 HD22 LEU 11 10.739 6.027 -22.846 116 HD23 LEU 11 HD23 LEU 11 12.304 5.953 -22.037 Start of MODEL 8 1 H1 LYS 1 H LYS 1 1.917 -2.252 -1.770 2 HA LYS 1 HA LYS 1 1.065 -0.297 -2.570 3 HB2 LYS 1 HB2 LYS 1 1.038 0.338 0.385 4 HB3 LYS 1 HB3 LYS 1 0.217 1.293 -0.842 5 HG2 LYS 1 HG2 LYS 1 -0.337 -1.610 -0.270 6 HG3 LYS 1 HG3 LYS 1 -1.282 -0.255 0.351 7 HD2 LYS 1 HD2 LYS 1 -0.943 -0.053 -2.507 8 HD3 LYS 1 HD3 LYS 1 -1.650 -1.609 -2.065 9 HE2 LYS 1 HE2 LYS 1 -3.552 -0.662 -1.233 10 HE3 LYS 1 HE3 LYS 1 -2.734 0.824 -0.754 11 HZ1 LYS 1 HZ1 LYS 1 -4.100 0.205 -3.192 12 HZ2 LYS 1 HZ2 LYS 1 -3.658 1.709 -2.556 13 HZ3 LYS 1 HZ3 LYS 1 -2.547 0.818 -3.470 14 H PHE 2 H PHE 2 2.619 0.659 -3.775 15 HA PHE 2 HA PHE 2 4.102 2.834 -2.519 16 HB2 PHE 2 HB2 PHE 2 5.315 0.412 -3.736 17 HB3 PHE 2 HB3 PHE 2 6.062 1.956 -4.137 18 HD1 PHE 2 HD1 PHE 2 6.367 3.534 -1.979 19 HD2 PHE 2 HD2 PHE 2 6.189 -0.718 -1.953 20 HE1 PHE 2 HE1 PHE 2 7.586 3.499 0.158 21 HE2 PHE 2 HE2 PHE 2 7.406 -0.760 0.184 22 HZ PHE 2 HZ PHE 2 8.106 1.351 1.243 23 H LYS 3 H LYS 3 4.526 4.550 -3.873 24 HA LYS 3 HA LYS 3 3.598 4.301 -6.655 25 HB2 LYS 3 HB2 LYS 3 2.677 6.619 -6.444 26 HB3 LYS 3 HB3 LYS 3 1.831 5.416 -5.480 27 HG2 LYS 3 HG2 LYS 3 4.027 6.883 -4.152 28 HG3 LYS 3 HG3 LYS 3 2.560 7.792 -4.525 29 HD2 LYS 3 HD2 LYS 3 1.282 6.592 -3.064 30 HD3 LYS 3 HD3 LYS 3 2.243 5.124 -3.260 31 HE2 LYS 3 HE2 LYS 3 4.005 6.051 -1.892 32 HE3 LYS 3 HE3 LYS 3 3.154 7.591 -1.782 33 HZ1 LYS 3 HZ1 LYS 3 1.898 6.835 -0.129 34 HZ2 LYS 3 HZ2 LYS 3 1.540 5.388 -0.931 35 HZ3 LYS 3 HZ3 LYS 3 2.960 5.522 -0.020 36 H LYS 4 H LYS 4 6.048 3.977 -6.734 37 HA LYS 4 HA LYS 4 7.617 6.400 -6.490 38 HB2 LYS 4 HB2 LYS 4 8.410 3.699 -7.593 39 HB3 LYS 4 HB3 LYS 4 9.502 5.012 -7.174 40 HG2 LYS 4 HG2 LYS 4 7.692 3.698 -5.168 41 HG3 LYS 4 HG3 LYS 4 9.328 3.129 -5.510 42 HD2 LYS 4 HD2 LYS 4 9.617 5.864 -5.127 43 HD3 LYS 4 HD3 LYS 4 8.441 5.376 -3.904 44 HE2 LYS 4 HE2 LYS 4 10.611 5.179 -2.937 45 HE3 LYS 4 HE3 LYS 4 10.016 3.548 -3.243 46 HZ1 LYS 4 HZ1 LYS 4 11.829 3.167 -4.427 47 HZ2 LYS 4 HZ2 LYS 4 11.396 4.388 -5.515 48 HZ3 LYS 4 HZ3 LYS 4 12.372 4.750 -4.182 49 H VAL 5 H VAL 5 9.301 6.487 -8.530 50 HA VAL 5 HA VAL 5 7.803 7.652 -10.618 51 HB VAL 5 HB VAL 5 10.688 6.777 -10.760 52 HG11 VAL 5 HG11 VAL 5 10.168 9.229 -12.083 53 HG12 VAL 5 HG12 VAL 5 10.668 7.689 -12.783 54 HG13 VAL 5 HG13 VAL 5 8.953 8.063 -12.607 55 HG21 VAL 5 HG21 VAL 5 9.386 8.906 -9.217 56 HG22 VAL 5 HG22 VAL 5 10.961 8.144 -8.996 57 HG23 VAL 5 HG23 VAL 5 10.763 9.432 -10.185 58 H ILE 6 H ILE 6 6.728 6.680 -12.193 59 HA ILE 6 HA ILE 6 7.206 3.889 -12.801 60 HB ILE 6 HB ILE 6 5.192 5.825 -13.950 61 HG12 ILE 6 HG12 ILE 6 4.890 3.617 -11.902 62 HG13 ILE 6 HG13 ILE 6 4.856 5.343 -11.561 63 HG21 ILE 6 HG21 ILE 6 5.642 4.084 -15.547 64 HG22 ILE 6 HG22 ILE 6 5.484 2.846 -14.301 65 HG23 ILE 6 HG23 ILE 6 4.074 3.781 -14.799 66 HD11 ILE 6 HD11 ILE 6 2.867 3.797 -13.204 67 HD12 ILE 6 HD12 ILE 6 2.619 4.472 -11.594 68 HD13 ILE 6 HD13 ILE 6 2.849 5.545 -12.974 69 H TRP 7 H TRP 7 8.056 6.962 -14.083 70 HA TRP 7 HA TRP 7 8.340 6.506 -16.784 71 HB2 TRP 7 HB2 TRP 7 8.772 8.693 -15.982 72 HB3 TRP 7 HB3 TRP 7 10.012 8.124 -14.867 73 HD1 TRP 7 HD1 TRP 7 12.175 9.230 -15.705 74 HE1 TRP 7 HE1 TRP 7 13.415 9.353 -17.957 75 HE3 TRP 7 HE3 TRP 7 8.677 6.986 -18.683 76 HZ2 TRP 7 HZ2 TRP 7 12.970 8.600 -20.641 77 HZ3 TRP 7 HZ3 TRP 7 9.162 6.726 -21.081 78 HH2 TRP 7 HH2 TRP 7 11.264 7.518 -22.038 79 H LYS 8 H LYS 8 10.366 5.400 -14.145 80 HA LYS 8 HA LYS 8 12.462 4.421 -15.846 81 HB2 LYS 8 HB2 LYS 8 13.422 3.497 -13.830 82 HB3 LYS 8 HB3 LYS 8 12.852 5.128 -13.499 83 HG2 LYS 8 HG2 LYS 8 10.673 3.684 -12.805 84 HG3 LYS 8 HG3 LYS 8 11.968 2.555 -12.399 85 HD2 LYS 8 HD2 LYS 8 11.973 5.431 -11.510 86 HD3 LYS 8 HD3 LYS 8 11.240 4.138 -10.559 87 HE2 LYS 8 HE2 LYS 8 14.106 4.125 -11.491 88 HE3 LYS 8 HE3 LYS 8 13.590 4.722 -9.914 89 HZ1 LYS 8 HZ1 LYS 8 13.998 2.605 -9.320 90 HZ2 LYS 8 HZ2 LYS 8 12.444 2.325 -9.929 91 HZ3 LYS 8 HZ3 LYS 8 13.800 1.993 -10.885 92 H SER 9 H SER 9 9.576 3.105 -14.358 93 HA SER 9 HA SER 9 10.028 0.391 -14.557 94 HB2 SER 9 HB2 SER 9 7.816 2.046 -14.052 95 HB3 SER 9 HB3 SER 9 7.325 1.002 -15.386 96 HG SER 9 HG SER 9 7.114 -0.523 -13.974 97 H PHE 10 H PHE 10 9.118 2.673 -17.072 98 HA PHE 10 HA PHE 10 9.146 0.498 -19.047 99 HB2 PHE 10 HB2 PHE 10 8.022 3.299 -19.167 100 HB3 PHE 10 HB3 PHE 10 8.119 2.236 -20.567 101 HD1 PHE 10 HD1 PHE 10 6.754 2.389 -17.111 102 HD2 PHE 10 HD2 PHE 10 6.377 0.790 -21.037 103 HE1 PHE 10 HE1 PHE 10 4.594 1.387 -16.491 104 HE2 PHE 10 HE2 PHE 10 4.216 -0.213 -20.424 105 HZ PHE 10 HZ PHE 10 3.321 0.085 -18.149 106 H LEU 11 H LEU 11 10.446 3.736 -18.422 107 HA LEU 11 HA LEU 11 12.220 4.868 -19.300 108 HB2 LEU 11 HB2 LEU 11 13.092 2.499 -18.264 109 HB3 LEU 11 HB3 LEU 11 13.760 2.447 -19.894 110 HG LEU 11 HG LEU 11 14.224 4.680 -17.919 111 HD11 LEU 11 HD11 LEU 11 15.382 2.919 -16.971 112 HD12 LEU 11 HD12 LEU 11 15.747 2.182 -18.531 113 HD13 LEU 11 HD13 LEU 11 16.595 3.643 -18.026 114 HD21 LEU 11 HD21 LEU 11 15.732 5.577 -19.459 115 HD22 LEU 11 HD22 LEU 11 15.782 4.096 -20.415 116 HD23 LEU 11 HD23 LEU 11 14.343 5.115 -20.443 Start of MODEL 9 1 H1 LYS 1 H LYS 1 1.416 3.199 1.843 2 HA LYS 1 HA LYS 1 1.427 3.668 -0.622 3 HB2 LYS 1 HB2 LYS 1 2.831 4.942 1.214 4 HB3 LYS 1 HB3 LYS 1 4.192 4.198 0.384 5 HG2 LYS 1 HG2 LYS 1 4.112 6.091 -0.827 6 HG3 LYS 1 HG3 LYS 1 2.880 5.202 -1.727 7 HD2 LYS 1 HD2 LYS 1 1.201 6.506 -0.965 8 HD3 LYS 1 HD3 LYS 1 1.913 6.662 0.642 9 HE2 LYS 1 HE2 LYS 1 3.683 8.121 -0.643 10 HE3 LYS 1 HE3 LYS 1 2.375 8.288 -1.814 11 HZ1 LYS 1 HZ1 LYS 1 0.978 9.237 -0.164 12 HZ2 LYS 1 HZ2 LYS 1 2.076 8.890 1.075 13 HZ3 LYS 1 HZ3 LYS 1 2.456 10.057 -0.090 14 H PHE 2 H PHE 2 1.550 2.251 -2.249 15 HA PHE 2 HA PHE 2 4.152 0.989 -2.762 16 HB2 PHE 2 HB2 PHE 2 1.459 -0.373 -2.973 17 HB3 PHE 2 HB3 PHE 2 2.980 -1.060 -3.533 18 HD1 PHE 2 HD1 PHE 2 4.644 -1.851 -1.960 19 HD2 PHE 2 HD2 PHE 2 0.941 -0.232 -0.624 20 HE1 PHE 2 HE1 PHE 2 5.041 -2.797 0.276 21 HE2 PHE 2 HE2 PHE 2 1.333 -1.174 1.614 22 HZ PHE 2 HZ PHE 2 3.385 -2.458 2.067 23 H LYS 3 H LYS 3 2.662 3.356 -3.825 24 HA LYS 3 HA LYS 3 2.387 2.517 -6.633 25 HB2 LYS 3 HB2 LYS 3 1.059 4.527 -6.977 26 HB3 LYS 3 HB3 LYS 3 0.390 3.579 -5.655 27 HG2 LYS 3 HG2 LYS 3 2.041 5.238 -4.299 28 HG3 LYS 3 HG3 LYS 3 1.562 6.269 -5.650 29 HD2 LYS 3 HD2 LYS 3 -0.075 6.697 -4.056 30 HD3 LYS 3 HD3 LYS 3 -0.838 5.489 -5.093 31 HE2 LYS 3 HE2 LYS 3 0.496 3.980 -3.203 32 HE3 LYS 3 HE3 LYS 3 -0.117 5.351 -2.278 33 HZ1 LYS 3 HZ1 LYS 3 -2.308 4.836 -3.498 34 HZ2 LYS 3 HZ2 LYS 3 -1.622 3.317 -3.787 35 HZ3 LYS 3 HZ3 LYS 3 -1.851 3.853 -2.199 36 H LYS 4 H LYS 4 4.952 2.802 -5.615 37 HA LYS 4 HA LYS 4 6.164 5.279 -5.822 38 HB2 LYS 4 HB2 LYS 4 8.236 4.042 -6.366 39 HB3 LYS 4 HB3 LYS 4 7.364 3.335 -5.013 40 HG2 LYS 4 HG2 LYS 4 6.335 1.933 -7.100 41 HG3 LYS 4 HG3 LYS 4 7.989 2.219 -7.646 42 HD2 LYS 4 HD2 LYS 4 7.194 1.008 -4.998 43 HD3 LYS 4 HD3 LYS 4 7.791 0.115 -6.399 44 HE2 LYS 4 HE2 LYS 4 9.854 0.426 -5.632 45 HE3 LYS 4 HE3 LYS 4 9.658 2.148 -5.953 46 HZ1 LYS 4 HZ1 LYS 4 9.303 2.609 -3.782 47 HZ2 LYS 4 HZ2 LYS 4 8.542 1.133 -3.458 48 HZ3 LYS 4 HZ3 LYS 4 10.229 1.210 -3.561 49 H VAL 5 H VAL 5 7.634 6.042 -7.577 50 HA VAL 5 HA VAL 5 6.334 5.681 -10.196 51 HB VAL 5 HB VAL 5 7.897 8.057 -9.174 52 HG11 VAL 5 HG11 VAL 5 8.228 7.820 -11.543 53 HG12 VAL 5 HG12 VAL 5 6.500 7.582 -11.803 54 HG13 VAL 5 HG13 VAL 5 7.102 9.148 -11.259 55 HG21 VAL 5 HG21 VAL 5 5.687 7.823 -8.136 56 HG22 VAL 5 HG22 VAL 5 5.759 9.226 -9.202 57 HG23 VAL 5 HG23 VAL 5 4.947 7.754 -9.735 58 H ILE 6 H ILE 6 7.521 5.110 -11.940 59 HA ILE 6 HA ILE 6 10.434 5.162 -11.792 60 HB ILE 6 HB ILE 6 9.454 2.631 -12.889 61 HG12 ILE 6 HG12 ILE 6 9.124 3.243 -9.947 62 HG13 ILE 6 HG13 ILE 6 7.863 2.759 -11.076 63 HG21 ILE 6 HG21 ILE 6 11.847 3.532 -12.275 64 HG22 ILE 6 HG22 ILE 6 11.443 2.876 -10.688 65 HG23 ILE 6 HG23 ILE 6 11.447 1.823 -12.103 66 HD11 ILE 6 HD11 ILE 6 8.486 0.912 -9.655 67 HD12 ILE 6 HD12 ILE 6 8.948 0.576 -11.324 68 HD13 ILE 6 HD13 ILE 6 10.171 1.066 -10.152 69 H TRP 7 H TRP 7 10.773 6.453 -13.505 70 HA TRP 7 HA TRP 7 9.194 6.354 -15.883 71 HB2 TRP 7 HB2 TRP 7 10.369 8.401 -15.025 72 HB3 TRP 7 HB3 TRP 7 11.893 7.664 -15.510 73 HD1 TRP 7 HD1 TRP 7 8.969 9.603 -16.867 74 HE1 TRP 7 HE1 TRP 7 9.327 10.059 -19.375 75 HE3 TRP 7 HE3 TRP 7 12.978 6.537 -17.686 76 HZ2 TRP 7 HZ2 TRP 7 11.077 9.229 -21.428 77 HZ3 TRP 7 HZ3 TRP 7 13.933 6.425 -19.951 78 HH2 TRP 7 HH2 TRP 7 13.001 7.744 -21.782 79 H LYS 8 H LYS 8 12.378 5.143 -14.953 80 HA LYS 8 HA LYS 8 13.354 4.330 -17.405 81 HB2 LYS 8 HB2 LYS 8 13.639 2.805 -14.811 82 HB3 LYS 8 HB3 LYS 8 14.719 2.729 -16.197 83 HG2 LYS 8 HG2 LYS 8 15.921 4.378 -15.351 84 HG3 LYS 8 HG3 LYS 8 14.515 5.443 -15.415 85 HD2 LYS 8 HD2 LYS 8 15.102 5.494 -13.168 86 HD3 LYS 8 HD3 LYS 8 13.825 4.276 -13.212 87 HE2 LYS 8 HE2 LYS 8 16.567 3.282 -13.638 88 HE3 LYS 8 HE3 LYS 8 16.224 3.912 -12.028 89 HZ1 LYS 8 HZ1 LYS 8 14.161 2.424 -12.164 90 HZ2 LYS 8 HZ2 LYS 8 14.968 1.637 -13.425 91 HZ3 LYS 8 HZ3 LYS 8 15.657 1.686 -11.880 92 H SER 9 H SER 9 10.961 2.786 -15.349 93 HA SER 9 HA SER 9 10.837 0.271 -16.510 94 HB2 SER 9 HB2 SER 9 9.445 0.286 -14.713 95 HB3 SER 9 HB3 SER 9 8.993 1.974 -14.950 96 HG SER 9 HG SER 9 7.221 1.227 -15.774 97 H PHE 10 H PHE 10 9.456 3.317 -17.589 98 HA PHE 10 HA PHE 10 8.033 2.063 -19.778 99 HB2 PHE 10 HB2 PHE 10 8.420 4.968 -19.031 100 HB3 PHE 10 HB3 PHE 10 7.434 4.413 -20.379 101 HD1 PHE 10 HD1 PHE 10 7.778 4.315 -16.701 102 HD2 PHE 10 HD2 PHE 10 5.230 3.671 -20.049 103 HE1 PHE 10 HE1 PHE 10 5.855 4.072 -15.186 104 HE2 PHE 10 HE2 PHE 10 3.302 3.428 -18.539 105 HZ PHE 10 HZ PHE 10 3.613 3.629 -16.105 106 H LEU 11 H LEU 11 10.931 4.003 -19.285 107 HA LEU 11 HA LEU 11 12.636 4.608 -20.673 108 HB2 LEU 11 HB2 LEU 11 12.355 1.893 -20.733 109 HB3 LEU 11 HB3 LEU 11 12.316 2.298 -22.447 110 HG LEU 11 HG LEU 11 14.531 3.073 -20.551 111 HD11 LEU 11 HD11 LEU 11 13.972 0.547 -21.551 112 HD12 LEU 11 HD12 LEU 11 15.205 1.189 -22.637 113 HD13 LEU 11 HD13 LEU 11 15.512 1.111 -20.902 114 HD21 LEU 11 HD21 LEU 11 14.598 3.077 -23.551 115 HD22 LEU 11 HD22 LEU 11 14.050 4.480 -22.634 116 HD23 LEU 11 HD23 LEU 11 15.691 3.871 -22.418 Start of MODEL 10 1 H1 LYS 1 H LYS 1 3.718 3.517 2.671 2 HA LYS 1 HA LYS 1 3.670 4.999 0.233 3 HB2 LYS 1 HB2 LYS 1 5.692 3.162 1.502 4 HB3 LYS 1 HB3 LYS 1 5.957 3.885 -0.078 5 HG2 LYS 1 HG2 LYS 1 5.159 5.908 1.784 6 HG3 LYS 1 HG3 LYS 1 6.515 4.986 2.439 7 HD2 LYS 1 HD2 LYS 1 7.952 5.709 0.836 8 HD3 LYS 1 HD3 LYS 1 6.700 5.781 -0.406 9 HE2 LYS 1 HE2 LYS 1 6.668 7.720 1.870 10 HE3 LYS 1 HE3 LYS 1 7.757 7.980 0.508 11 HZ1 LYS 1 HZ1 LYS 1 6.072 8.815 -0.631 12 HZ2 LYS 1 HZ2 LYS 1 5.221 7.359 -0.500 13 HZ3 LYS 1 HZ3 LYS 1 5.026 8.562 0.674 14 H PHE 2 H PHE 2 2.198 4.171 -1.200 15 HA PHE 2 HA PHE 2 2.823 1.500 -2.266 16 HB2 PHE 2 HB2 PHE 2 0.313 2.477 -1.168 17 HB3 PHE 2 HB3 PHE 2 0.127 1.904 -2.822 18 HD1 PHE 2 HD1 PHE 2 -0.269 -0.331 -3.181 19 HD2 PHE 2 HD2 PHE 2 1.661 0.877 0.415 20 HE1 PHE 2 HE1 PHE 2 -0.332 -2.654 -2.371 21 HE2 PHE 2 HE2 PHE 2 1.601 -1.444 1.231 22 HZ PHE 2 HZ PHE 2 0.605 -3.213 -0.163 23 H LYS 3 H LYS 3 1.874 1.208 -4.511 24 HA LYS 3 HA LYS 3 2.000 1.799 -6.709 25 HB2 LYS 3 HB2 LYS 3 0.824 4.439 -5.857 26 HB3 LYS 3 HB3 LYS 3 0.605 3.597 -7.385 27 HG2 LYS 3 HG2 LYS 3 -0.451 2.702 -4.711 28 HG3 LYS 3 HG3 LYS 3 -1.389 3.456 -6.003 29 HD2 LYS 3 HD2 LYS 3 -1.008 1.580 -7.452 30 HD3 LYS 3 HD3 LYS 3 0.119 0.861 -6.300 31 HE2 LYS 3 HE2 LYS 3 -1.729 -0.335 -5.747 32 HE3 LYS 3 HE3 LYS 3 -2.010 1.063 -4.711 33 HZ1 LYS 3 HZ1 LYS 3 -3.724 1.772 -5.975 34 HZ2 LYS 3 HZ2 LYS 3 -3.057 1.212 -7.426 35 HZ3 LYS 3 HZ3 LYS 3 -3.830 0.132 -6.378 36 H LYS 4 H LYS 4 4.396 1.896 -6.240 37 HA LYS 4 HA LYS 4 5.656 4.449 -6.024 38 HB2 LYS 4 HB2 LYS 4 7.724 3.270 -6.312 39 HB3 LYS 4 HB3 LYS 4 6.683 2.289 -5.289 40 HG2 LYS 4 HG2 LYS 4 6.053 1.009 -7.371 41 HG3 LYS 4 HG3 LYS 4 7.369 1.862 -8.182 42 HD2 LYS 4 HD2 LYS 4 8.994 0.763 -6.996 43 HD3 LYS 4 HD3 LYS 4 7.948 0.501 -5.599 44 HE2 LYS 4 HE2 LYS 4 7.483 -1.546 -6.320 45 HE3 LYS 4 HE3 LYS 4 6.833 -0.881 -7.818 46 HZ1 LYS 4 HZ1 LYS 4 9.571 -1.837 -7.265 47 HZ2 LYS 4 HZ2 LYS 4 8.519 -2.299 -8.507 48 HZ3 LYS 4 HZ3 LYS 4 9.262 -0.779 -8.549 49 H VAL 5 H VAL 5 7.366 5.063 -7.728 50 HA VAL 5 HA VAL 5 6.011 5.124 -10.331 51 HB VAL 5 HB VAL 5 8.275 6.885 -9.391 52 HG11 VAL 5 HG11 VAL 5 6.948 8.290 -11.274 53 HG12 VAL 5 HG12 VAL 5 8.340 7.261 -11.613 54 HG13 VAL 5 HG13 VAL 5 6.706 6.649 -11.872 55 HG21 VAL 5 HG21 VAL 5 5.328 7.096 -9.035 56 HG22 VAL 5 HG22 VAL 5 6.634 7.571 -7.949 57 HG23 VAL 5 HG23 VAL 5 6.245 8.569 -9.351 58 H ILE 6 H ILE 6 7.119 4.695 -12.251 59 HA ILE 6 HA ILE 6 9.777 3.469 -11.982 60 HB ILE 6 HB ILE 6 8.682 1.983 -13.990 61 HG12 ILE 6 HG12 ILE 6 6.448 3.082 -13.205 62 HG13 ILE 6 HG13 ILE 6 6.488 1.354 -13.541 63 HG21 ILE 6 HG21 ILE 6 8.846 1.398 -11.040 64 HG22 ILE 6 HG22 ILE 6 8.539 0.171 -12.270 65 HG23 ILE 6 HG23 ILE 6 10.060 1.063 -12.275 66 HD11 ILE 6 HD11 ILE 6 5.388 2.352 -11.354 67 HD12 ILE 6 HD12 ILE 6 6.202 0.788 -11.368 68 HD13 ILE 6 HD13 ILE 6 7.045 2.215 -10.766 69 H TRP 7 H TRP 7 10.896 5.079 -12.979 70 HA TRP 7 HA TRP 7 9.972 6.324 -15.395 71 HB2 TRP 7 HB2 TRP 7 11.378 7.504 -13.717 72 HB3 TRP 7 HB3 TRP 7 12.716 6.434 -14.126 73 HD1 TRP 7 HD1 TRP 7 10.974 9.572 -15.253 74 HE1 TRP 7 HE1 TRP 7 12.176 10.531 -17.317 75 HE3 TRP 7 HE3 TRP 7 14.053 5.629 -16.303 76 HZ2 TRP 7 HZ2 TRP 7 14.165 9.721 -19.149 77 HZ3 TRP 7 HZ3 TRP 7 15.575 5.801 -18.229 78 HH2 TRP 7 HH2 TRP 7 15.628 7.805 -19.622 79 H LYS 8 H LYS 8 12.264 3.791 -14.559 80 HA LYS 8 HA LYS 8 13.553 3.533 -17.029 81 HB2 LYS 8 HB2 LYS 8 12.919 1.275 -15.127 82 HB3 LYS 8 HB3 LYS 8 14.240 1.352 -16.285 83 HG2 LYS 8 HG2 LYS 8 15.487 2.038 -14.577 84 HG3 LYS 8 HG3 LYS 8 14.655 3.586 -14.746 85 HD2 LYS 8 HD2 LYS 8 14.140 3.251 -12.576 86 HD3 LYS 8 HD3 LYS 8 12.866 2.228 -13.243 87 HE2 LYS 8 HE2 LYS 8 15.586 1.323 -12.305 88 HE3 LYS 8 HE3 LYS 8 14.054 1.063 -11.473 89 HZ1 LYS 8 HZ1 LYS 8 14.514 -0.923 -12.601 90 HZ2 LYS 8 HZ2 LYS 8 13.344 -0.154 -13.551 91 HZ3 LYS 8 HZ3 LYS 8 14.968 -0.128 -14.024 92 H SER 9 H SER 9 10.487 2.267 -15.872 93 HA SER 9 HA SER 9 9.964 0.370 -17.834 94 HB2 SER 9 HB2 SER 9 8.603 0.883 -15.739 95 HB3 SER 9 HB3 SER 9 7.855 2.186 -16.662 96 HG SER 9 HG SER 9 6.739 0.770 -17.760 97 H PHE 10 H PHE 10 9.608 3.865 -17.909 98 HA PHE 10 HA PHE 10 8.285 3.872 -20.468 99 HB2 PHE 10 HB2 PHE 10 9.456 6.084 -18.775 100 HB3 PHE 10 HB3 PHE 10 8.650 6.361 -20.316 101 HD1 PHE 10 HD1 PHE 10 8.233 5.997 -16.810 102 HD2 PHE 10 HD2 PHE 10 6.236 5.524 -20.539 103 HE1 PHE 10 HE1 PHE 10 6.063 6.071 -15.653 104 HE2 PHE 10 HE2 PHE 10 4.062 5.598 -19.388 105 HZ PHE 10 HZ PHE 10 3.974 5.873 -16.942 106 H LEU 11 H LEU 11 11.535 4.560 -19.251 107 HA LEU 11 HA LEU 11 13.528 4.898 -20.305 108 HB2 LEU 11 HB2 LEU 11 12.491 2.502 -21.101 109 HB3 LEU 11 HB3 LEU 11 12.825 3.282 -22.646 110 HG LEU 11 HG LEU 11 14.862 2.859 -20.460 111 HD11 LEU 11 HD11 LEU 11 13.799 0.852 -21.856 112 HD12 LEU 11 HD12 LEU 11 14.998 1.397 -23.029 113 HD13 LEU 11 HD13 LEU 11 15.505 0.907 -21.413 114 HD21 LEU 11 HD21 LEU 11 15.371 3.534 -23.340 115 HD22 LEU 11 HD22 LEU 11 15.123 4.786 -22.123 116 HD23 LEU 11 HD23 LEU 11 16.467 3.656 -21.964 Start of MODEL 11 1 H1 LYS 1 H LYS 1 -0.367 0.623 -1.530 2 HA LYS 1 HA LYS 1 0.429 1.764 0.270 3 HB2 LYS 1 HB2 LYS 1 2.283 -0.596 0.245 4 HB3 LYS 1 HB3 LYS 1 2.545 0.725 1.376 5 HG2 LYS 1 HG2 LYS 1 -0.144 -0.557 1.198 6 HG3 LYS 1 HG3 LYS 1 1.156 -1.351 2.090 7 HD2 LYS 1 HD2 LYS 1 1.002 0.091 3.794 8 HD3 LYS 1 HD3 LYS 1 0.919 1.485 2.714 9 HE2 LYS 1 HE2 LYS 1 -1.411 1.290 2.470 10 HE3 LYS 1 HE3 LYS 1 -1.426 -0.347 3.126 11 HZ1 LYS 1 HZ1 LYS 1 -0.337 1.384 5.046 12 HZ2 LYS 1 HZ2 LYS 1 -1.788 2.057 4.495 13 HZ3 LYS 1 HZ3 LYS 1 -1.770 0.489 5.131 14 H PHE 2 H PHE 2 2.821 0.816 -2.130 15 HA PHE 2 HA PHE 2 4.085 3.459 -1.813 16 HB2 PHE 2 HB2 PHE 2 5.329 0.794 -2.486 17 HB3 PHE 2 HB3 PHE 2 6.150 2.323 -2.784 18 HD1 PHE 2 HD1 PHE 2 7.142 3.557 -1.017 19 HD2 PHE 2 HD2 PHE 2 4.811 0.097 -0.177 20 HE1 PHE 2 HE1 PHE 2 7.969 3.567 1.301 21 HE2 PHE 2 HE2 PHE 2 5.632 0.101 2.142 22 HZ PHE 2 HZ PHE 2 7.213 1.838 2.884 23 H LYS 3 H LYS 3 3.681 4.747 -3.471 24 HA LYS 3 HA LYS 3 3.144 3.549 -6.104 25 HB2 LYS 3 HB2 LYS 3 2.355 6.241 -4.975 26 HB3 LYS 3 HB3 LYS 3 2.043 5.726 -6.628 27 HG2 LYS 3 HG2 LYS 3 0.366 4.322 -6.024 28 HG3 LYS 3 HG3 LYS 3 1.083 3.960 -4.452 29 HD2 LYS 3 HD2 LYS 3 0.399 6.731 -4.544 30 HD3 LYS 3 HD3 LYS 3 -0.998 5.779 -5.052 31 HE2 LYS 3 HE2 LYS 3 -0.870 4.456 -3.028 32 HE3 LYS 3 HE3 LYS 3 0.596 5.302 -2.536 33 HZ1 LYS 3 HZ1 LYS 3 -0.574 7.018 -1.759 34 HZ2 LYS 3 HZ2 LYS 3 -1.622 7.051 -3.088 35 HZ3 LYS 3 HZ3 LYS 3 -1.912 5.984 -1.807 36 H LYS 4 H LYS 4 5.790 3.723 -5.377 37 HA LYS 4 HA LYS 4 7.168 6.045 -5.999 38 HB2 LYS 4 HB2 LYS 4 7.814 3.146 -6.031 39 HB3 LYS 4 HB3 LYS 4 8.909 4.213 -6.899 40 HG2 LYS 4 HG2 LYS 4 9.630 3.785 -4.593 41 HG3 LYS 4 HG3 LYS 4 9.316 5.495 -4.897 42 HD2 LYS 4 HD2 LYS 4 7.031 3.924 -3.889 43 HD3 LYS 4 HD3 LYS 4 8.368 4.150 -2.759 44 HE2 LYS 4 HE2 LYS 4 7.837 6.289 -2.426 45 HE3 LYS 4 HE3 LYS 4 7.710 6.601 -4.156 46 HZ1 LYS 4 HZ1 LYS 4 5.544 5.108 -2.881 47 HZ2 LYS 4 HZ2 LYS 4 5.639 6.768 -2.567 48 HZ3 LYS 4 HZ3 LYS 4 5.487 6.216 -4.159 49 H VAL 5 H VAL 5 8.482 6.504 -7.942 50 HA VAL 5 HA VAL 5 6.835 6.539 -10.271 51 HB VAL 5 HB VAL 5 9.761 7.264 -10.098 52 HG11 VAL 5 HG11 VAL 5 8.611 8.964 -11.876 53 HG12 VAL 5 HG12 VAL 5 9.435 7.467 -12.312 54 HG13 VAL 5 HG13 VAL 5 7.679 7.493 -12.153 55 HG21 VAL 5 HG21 VAL 5 9.045 9.539 -9.623 56 HG22 VAL 5 HG22 VAL 5 7.358 9.024 -9.617 57 HG23 VAL 5 HG23 VAL 5 8.463 8.438 -8.374 58 H ILE 6 H ILE 6 6.786 5.193 -11.956 59 HA ILE 6 HA ILE 6 8.933 3.188 -12.197 60 HB ILE 6 HB ILE 6 6.078 2.681 -13.002 61 HG12 ILE 6 HG12 ILE 6 7.428 2.039 -10.372 62 HG13 ILE 6 HG13 ILE 6 6.064 3.125 -10.611 63 HG21 ILE 6 HG21 ILE 6 8.391 1.341 -13.588 64 HG22 ILE 6 HG22 ILE 6 7.784 0.458 -12.187 65 HG23 ILE 6 HG23 ILE 6 6.771 0.646 -13.618 66 HD11 ILE 6 HD11 ILE 6 4.684 1.243 -11.305 67 HD12 ILE 6 HD12 ILE 6 6.052 0.153 -11.078 68 HD13 ILE 6 HD13 ILE 6 5.355 0.993 -9.693 69 H TRP 7 H TRP 7 8.747 5.764 -13.515 70 HA TRP 7 HA TRP 7 7.850 5.369 -16.200 71 HB2 TRP 7 HB2 TRP 7 7.961 7.603 -15.141 72 HB3 TRP 7 HB3 TRP 7 9.717 7.478 -15.095 73 HD1 TRP 7 HD1 TRP 7 6.819 7.909 -17.582 74 HE1 TRP 7 HE1 TRP 7 7.764 8.882 -19.770 75 HE3 TRP 7 HE3 TRP 7 11.807 7.693 -16.479 76 HZ2 TRP 7 HZ2 TRP 7 10.289 9.478 -20.881 77 HZ3 TRP 7 HZ3 TRP 7 13.421 8.484 -18.159 78 HH2 TRP 7 HH2 TRP 7 12.676 9.357 -20.314 79 H LYS 8 H LYS 8 10.948 5.154 -14.540 80 HA LYS 8 HA LYS 8 12.659 4.976 -16.720 81 HB2 LYS 8 HB2 LYS 8 14.100 3.576 -15.171 82 HB3 LYS 8 HB3 LYS 8 13.626 5.158 -14.566 83 HG2 LYS 8 HG2 LYS 8 11.677 3.216 -13.784 84 HG3 LYS 8 HG3 LYS 8 13.290 2.662 -13.329 85 HD2 LYS 8 HD2 LYS 8 13.475 5.213 -12.543 86 HD3 LYS 8 HD3 LYS 8 11.733 4.990 -12.367 87 HE2 LYS 8 HE2 LYS 8 12.642 4.413 -10.279 88 HE3 LYS 8 HE3 LYS 8 12.292 2.877 -11.069 89 HZ1 LYS 8 HZ1 LYS 8 14.464 2.361 -11.226 90 HZ2 LYS 8 HZ2 LYS 8 14.956 3.956 -11.499 91 HZ3 LYS 8 HZ3 LYS 8 14.620 3.432 -9.926 92 H SER 9 H SER 9 10.589 2.537 -15.268 93 HA SER 9 HA SER 9 11.598 0.229 -16.403 94 HB2 SER 9 HB2 SER 9 9.841 0.027 -14.808 95 HB3 SER 9 HB3 SER 9 8.757 1.031 -15.770 96 HG SER 9 HG SER 9 9.780 -1.405 -16.764 97 H PHE 10 H PHE 10 9.567 2.709 -17.842 98 HA PHE 10 HA PHE 10 9.398 1.210 -20.343 99 HB2 PHE 10 HB2 PHE 10 8.107 3.775 -19.409 100 HB3 PHE 10 HB3 PHE 10 7.948 3.162 -21.051 101 HD1 PHE 10 HD1 PHE 10 7.227 2.418 -17.506 102 HD2 PHE 10 HD2 PHE 10 6.416 1.454 -21.572 103 HE1 PHE 10 HE1 PHE 10 5.333 1.018 -16.793 104 HE2 PHE 10 HE2 PHE 10 4.520 0.054 -20.866 105 HZ PHE 10 HZ PHE 10 3.976 -0.165 -18.474 106 H LEU 11 H LEU 11 10.677 4.252 -19.070 107 HA LEU 11 HA LEU 11 12.139 5.778 -19.925 108 HB2 LEU 11 HB2 LEU 11 13.315 3.314 -19.930 109 HB3 LEU 11 HB3 LEU 11 13.551 3.831 -21.598 110 HG LEU 11 HG LEU 11 14.431 5.399 -19.175 111 HD11 LEU 11 HD11 LEU 11 15.722 3.389 -19.269 112 HD12 LEU 11 HD12 LEU 11 15.962 3.562 -21.007 113 HD13 LEU 11 HD13 LEU 11 16.713 4.706 -19.895 114 HD21 LEU 11 HD21 LEU 11 15.314 5.766 -22.021 115 HD22 LEU 11 HD22 LEU 11 13.898 6.594 -21.374 116 HD23 LEU 11 HD23 LEU 11 15.485 6.871 -20.657 Start of MODEL 12 1 H1 LYS 1 H LYS 1 1.132 -0.636 -0.376 2 HA LYS 1 HA LYS 1 3.398 0.172 -0.414 3 HB2 LYS 1 HB2 LYS 1 4.568 0.167 -2.660 4 HB3 LYS 1 HB3 LYS 1 4.334 -1.409 -1.914 5 HG2 LYS 1 HG2 LYS 1 2.166 -0.595 -3.703 6 HG3 LYS 1 HG3 LYS 1 3.733 -0.791 -4.492 7 HD2 LYS 1 HD2 LYS 1 3.918 -3.043 -3.748 8 HD3 LYS 1 HD3 LYS 1 2.538 -2.864 -2.661 9 HE2 LYS 1 HE2 LYS 1 1.066 -3.280 -4.294 10 HE3 LYS 1 HE3 LYS 1 1.904 -2.228 -5.434 11 HZ1 LYS 1 HZ1 LYS 1 3.280 -4.699 -4.851 12 HZ2 LYS 1 HZ2 LYS 1 1.790 -4.904 -5.626 13 HZ3 LYS 1 HZ3 LYS 1 2.989 -3.946 -6.338 14 H PHE 2 H PHE 2 4.227 2.197 -1.445 15 HA PHE 2 HA PHE 2 2.012 3.979 -1.915 16 HB2 PHE 2 HB2 PHE 2 4.937 4.285 -1.423 17 HB3 PHE 2 HB3 PHE 2 4.087 5.613 -2.205 18 HD1 PHE 2 HD1 PHE 2 3.140 7.234 -0.884 19 HD2 PHE 2 HD2 PHE 2 3.760 3.349 0.739 20 HE1 PHE 2 HE1 PHE 2 2.365 8.032 1.311 21 HE2 PHE 2 HE2 PHE 2 2.985 4.140 2.936 22 HZ PHE 2 HZ PHE 2 2.286 6.484 3.224 23 H LYS 3 H LYS 3 2.577 5.797 -3.650 24 HA LYS 3 HA LYS 3 2.494 4.438 -6.190 25 HB2 LYS 3 HB2 LYS 3 2.231 7.326 -5.367 26 HB3 LYS 3 HB3 LYS 3 2.250 6.833 -7.055 27 HG2 LYS 3 HG2 LYS 3 0.191 5.855 -6.940 28 HG3 LYS 3 HG3 LYS 3 0.336 5.494 -5.218 29 HD2 LYS 3 HD2 LYS 3 0.410 8.269 -5.357 30 HD3 LYS 3 HD3 LYS 3 -0.816 7.803 -6.538 31 HE2 LYS 3 HE2 LYS 3 -2.054 6.606 -4.893 32 HE3 LYS 3 HE3 LYS 3 -0.750 6.752 -3.716 33 HZ1 LYS 3 HZ1 LYS 3 -2.896 8.482 -4.114 34 HZ2 LYS 3 HZ2 LYS 3 -1.611 8.655 -3.027 35 HZ3 LYS 3 HZ3 LYS 3 -1.501 9.319 -4.579 36 H LYS 4 H LYS 4 4.813 3.677 -5.664 37 HA LYS 4 HA LYS 4 6.988 5.446 -5.906 38 HB2 LYS 4 HB2 LYS 4 6.661 2.487 -6.306 39 HB3 LYS 4 HB3 LYS 4 8.191 3.274 -6.672 40 HG2 LYS 4 HG2 LYS 4 8.579 2.654 -4.520 41 HG3 LYS 4 HG3 LYS 4 7.875 4.249 -4.242 42 HD2 LYS 4 HD2 LYS 4 6.087 3.390 -3.206 43 HD3 LYS 4 HD3 LYS 4 5.874 2.138 -4.432 44 HE2 LYS 4 HE2 LYS 4 8.028 1.987 -2.341 45 HE3 LYS 4 HE3 LYS 4 6.400 1.374 -2.056 46 HZ1 LYS 4 HZ1 LYS 4 6.649 -0.119 -3.916 47 HZ2 LYS 4 HZ2 LYS 4 8.183 0.504 -4.266 48 HZ3 LYS 4 HZ3 LYS 4 7.925 -0.354 -2.831 49 H VAL 5 H VAL 5 8.106 6.222 -7.624 50 HA VAL 5 HA VAL 5 6.805 6.243 -10.173 51 HB VAL 5 HB VAL 5 9.526 7.308 -9.402 52 HG11 VAL 5 HG11 VAL 5 7.876 7.512 -11.887 53 HG12 VAL 5 HG12 VAL 5 8.960 8.827 -11.433 54 HG13 VAL 5 HG13 VAL 5 9.604 7.209 -11.711 55 HG21 VAL 5 HG21 VAL 5 7.566 9.331 -9.858 56 HG22 VAL 5 HG22 VAL 5 6.940 8.182 -8.675 57 HG23 VAL 5 HG23 VAL 5 8.483 8.987 -8.391 58 H ILE 6 H ILE 6 7.047 4.836 -11.772 59 HA ILE 6 HA ILE 6 9.505 3.210 -11.856 60 HB ILE 6 HB ILE 6 6.838 2.279 -12.896 61 HG12 ILE 6 HG12 ILE 6 8.056 1.810 -10.167 62 HG13 ILE 6 HG13 ILE 6 6.562 2.675 -10.513 63 HG21 ILE 6 HG21 ILE 6 9.374 1.326 -13.294 64 HG22 ILE 6 HG22 ILE 6 8.800 0.335 -11.953 65 HG23 ILE 6 HG23 ILE 6 7.889 0.388 -13.462 66 HD11 ILE 6 HD11 ILE 6 6.122 0.443 -9.666 67 HD12 ILE 6 HD12 ILE 6 5.555 0.612 -11.327 68 HD13 ILE 6 HD13 ILE 6 7.054 -0.255 -10.991 69 H TRP 7 H TRP 7 9.025 5.748 -13.174 70 HA TRP 7 HA TRP 7 8.312 5.441 -15.873 71 HB2 TRP 7 HB2 TRP 7 8.904 7.569 -14.318 72 HB3 TRP 7 HB3 TRP 7 10.403 7.438 -15.233 73 HD1 TRP 7 HD1 TRP 7 6.884 8.678 -15.503 74 HE1 TRP 7 HE1 TRP 7 6.467 9.619 -17.863 75 HE3 TRP 7 HE3 TRP 7 11.111 6.971 -17.817 76 HZ2 TRP 7 HZ2 TRP 7 7.759 9.635 -20.372 77 HZ3 TRP 7 HZ3 TRP 7 11.445 7.491 -20.199 78 HH2 TRP 7 HH2 TRP 7 9.802 8.796 -21.448 79 H LYS 8 H LYS 8 11.301 4.852 -14.163 80 HA LYS 8 HA LYS 8 13.166 4.827 -16.180 81 HB2 LYS 8 HB2 LYS 8 12.990 2.750 -13.993 82 HB3 LYS 8 HB3 LYS 8 14.437 3.261 -14.851 83 HG2 LYS 8 HG2 LYS 8 14.793 4.869 -13.376 84 HG3 LYS 8 HG3 LYS 8 13.188 5.542 -13.667 85 HD2 LYS 8 HD2 LYS 8 12.276 3.821 -12.092 86 HD3 LYS 8 HD3 LYS 8 13.941 3.380 -11.705 87 HE2 LYS 8 HE2 LYS 8 13.030 4.930 -10.055 88 HE3 LYS 8 HE3 LYS 8 14.372 5.655 -10.937 89 HZ1 LYS 8 HZ1 LYS 8 13.056 7.226 -11.789 90 HZ2 LYS 8 HZ2 LYS 8 11.793 6.150 -12.120 91 HZ3 LYS 8 HZ3 LYS 8 11.962 6.805 -10.569 92 H SER 9 H SER 9 10.695 2.438 -15.468 93 HA SER 9 HA SER 9 11.697 0.503 -17.338 94 HB2 SER 9 HB2 SER 9 9.230 0.752 -15.651 95 HB3 SER 9 HB3 SER 9 9.277 -0.437 -16.953 96 HG SER 9 HG SER 9 10.605 -1.615 -15.820 97 H PHE 10 H PHE 10 9.281 3.053 -17.367 98 HA PHE 10 HA PHE 10 7.958 2.401 -19.737 99 HB2 PHE 10 HB2 PHE 10 8.417 4.963 -18.252 100 HB3 PHE 10 HB3 PHE 10 7.651 5.002 -19.836 101 HD1 PHE 10 HD1 PHE 10 7.367 2.848 -16.797 102 HD2 PHE 10 HD2 PHE 10 5.378 5.212 -19.724 103 HE1 PHE 10 HE1 PHE 10 5.204 2.309 -15.757 104 HE2 PHE 10 HE2 PHE 10 3.211 4.678 -18.688 105 HZ PHE 10 HZ PHE 10 3.122 3.226 -16.701 106 H LEU 11 H LEU 11 11.015 4.013 -19.181 107 HA LEU 11 HA LEU 11 11.495 5.237 -21.592 108 HB2 LEU 11 HB2 LEU 11 13.012 4.435 -19.357 109 HB3 LEU 11 HB3 LEU 11 13.864 3.844 -20.783 110 HG LEU 11 HG LEU 11 13.176 6.510 -21.340 111 HD11 LEU 11 HD11 LEU 11 14.065 7.766 -19.511 112 HD12 LEU 11 HD12 LEU 11 12.779 6.732 -18.891 113 HD13 LEU 11 HD13 LEU 11 14.467 6.294 -18.627 114 HD21 LEU 11 HD21 LEU 11 15.538 6.820 -21.473 115 HD22 LEU 11 HD22 LEU 11 15.836 5.443 -20.412 116 HD23 LEU 11 HD23 LEU 11 15.183 5.184 -22.029 Start of MODEL 13 1 H1 LYS 1 H LYS 1 4.916 -0.635 -1.312 2 HA LYS 1 HA LYS 1 4.865 -0.293 -4.207 3 HB2 LYS 1 HB2 LYS 1 3.228 -2.303 -2.688 4 HB3 LYS 1 HB3 LYS 1 2.622 -1.598 -4.181 5 HG2 LYS 1 HG2 LYS 1 3.756 -3.108 -5.327 6 HG3 LYS 1 HG3 LYS 1 5.262 -2.441 -4.692 7 HD2 LYS 1 HD2 LYS 1 5.400 -4.015 -3.005 8 HD3 LYS 1 HD3 LYS 1 3.665 -4.339 -3.024 9 HE2 LYS 1 HE2 LYS 1 3.979 -5.368 -5.288 10 HE3 LYS 1 HE3 LYS 1 5.718 -5.206 -5.052 11 HZ1 LYS 1 HZ1 LYS 1 5.714 -6.760 -3.355 12 HZ2 LYS 1 HZ2 LYS 1 4.055 -6.610 -3.062 13 HZ3 LYS 1 HZ3 LYS 1 4.600 -7.414 -4.447 14 H PHE 2 H PHE 2 4.295 1.797 -4.255 15 HA PHE 2 HA PHE 2 1.705 2.524 -3.134 16 HB2 PHE 2 HB2 PHE 2 3.705 3.115 -1.550 17 HB3 PHE 2 HB3 PHE 2 3.982 4.424 -2.695 18 HD1 PHE 2 HD1 PHE 2 2.964 6.441 -2.298 19 HD2 PHE 2 HD2 PHE 2 1.198 2.897 -0.737 20 HE1 PHE 2 HE1 PHE 2 1.254 7.797 -1.162 21 HE2 PHE 2 HE2 PHE 2 -0.514 4.247 0.401 22 HZ PHE 2 HZ PHE 2 -0.488 6.701 0.189 23 H LYS 3 H LYS 3 2.977 2.107 -5.809 24 HA LYS 3 HA LYS 3 3.024 3.055 -7.881 25 HB2 LYS 3 HB2 LYS 3 0.926 4.950 -6.838 26 HB3 LYS 3 HB3 LYS 3 1.122 4.345 -8.478 27 HG2 LYS 3 HG2 LYS 3 0.314 2.694 -6.093 28 HG3 LYS 3 HG3 LYS 3 -0.776 3.313 -7.336 29 HD2 LYS 3 HD2 LYS 3 0.250 1.962 -9.014 30 HD3 LYS 3 HD3 LYS 3 1.563 1.506 -7.926 31 HE2 LYS 3 HE2 LYS 3 -0.164 0.425 -6.459 32 HE3 LYS 3 HE3 LYS 3 -1.340 0.719 -7.739 33 HZ1 LYS 3 HZ1 LYS 3 -0.416 -0.849 -9.078 34 HZ2 LYS 3 HZ2 LYS 3 1.142 -0.660 -8.446 35 HZ3 LYS 3 HZ3 LYS 3 -0.022 -1.529 -7.580 36 H LYS 4 H LYS 4 5.188 3.894 -7.217 37 HA LYS 4 HA LYS 4 5.229 6.816 -6.919 38 HB2 LYS 4 HB2 LYS 4 7.497 6.595 -6.157 39 HB3 LYS 4 HB3 LYS 4 6.510 5.431 -5.282 40 HG2 LYS 4 HG2 LYS 4 7.267 3.730 -7.019 41 HG3 LYS 4 HG3 LYS 4 8.477 4.926 -7.489 42 HD2 LYS 4 HD2 LYS 4 9.009 4.972 -4.933 43 HD3 LYS 4 HD3 LYS 4 8.205 3.401 -4.931 44 HE2 LYS 4 HE2 LYS 4 9.823 3.020 -7.009 45 HE3 LYS 4 HE3 LYS 4 10.781 4.226 -6.152 46 HZ1 LYS 4 HZ1 LYS 4 11.545 2.505 -4.987 47 HZ2 LYS 4 HZ2 LYS 4 10.051 2.502 -4.193 48 HZ3 LYS 4 HZ3 LYS 4 10.313 1.468 -5.507 49 H VAL 5 H VAL 5 6.904 7.997 -8.149 50 HA VAL 5 HA VAL 5 6.711 7.396 -10.927 51 HB VAL 5 HB VAL 5 8.527 9.421 -9.616 52 HG11 VAL 5 HG11 VAL 5 8.625 10.498 -11.705 53 HG12 VAL 5 HG12 VAL 5 8.864 8.786 -12.056 54 HG13 VAL 5 HG13 VAL 5 7.296 9.538 -12.355 55 HG21 VAL 5 HG21 VAL 5 6.410 10.848 -10.525 56 HG22 VAL 5 HG22 VAL 5 5.612 9.369 -9.990 57 HG23 VAL 5 HG23 VAL 5 6.596 10.298 -8.859 58 H ILE 6 H ILE 6 7.957 6.100 -12.092 59 HA ILE 6 HA ILE 6 10.789 5.830 -11.447 60 HB ILE 6 HB ILE 6 9.578 3.247 -12.107 61 HG12 ILE 6 HG12 ILE 6 8.944 4.601 -9.479 62 HG13 ILE 6 HG13 ILE 6 7.792 4.012 -10.672 63 HG21 ILE 6 HG21 ILE 6 11.967 4.079 -11.199 64 HG22 ILE 6 HG22 ILE 6 11.197 3.639 -9.674 65 HG23 ILE 6 HG23 ILE 6 11.350 2.444 -10.962 66 HD11 ILE 6 HD11 ILE 6 7.904 2.510 -8.789 67 HD12 ILE 6 HD12 ILE 6 8.537 1.720 -10.233 68 HD13 ILE 6 HD13 ILE 6 9.646 2.330 -9.005 69 H TRP 7 H TRP 7 11.574 6.607 -13.317 70 HA TRP 7 HA TRP 7 10.400 6.370 -15.842 71 HB2 TRP 7 HB2 TRP 7 12.075 8.048 -15.464 72 HB3 TRP 7 HB3 TRP 7 13.275 6.831 -15.035 73 HD1 TRP 7 HD1 TRP 7 15.028 6.859 -16.899 74 HE1 TRP 7 HE1 TRP 7 14.983 6.811 -19.472 75 HE3 TRP 7 HE3 TRP 7 9.977 7.159 -17.629 76 HZ2 TRP 7 HZ2 TRP 7 13.061 6.891 -21.538 77 HZ3 TRP 7 HZ3 TRP 7 9.117 7.168 -19.934 78 HH2 TRP 7 HH2 TRP 7 10.628 7.037 -21.847 79 H LYS 8 H LYS 8 12.655 4.281 -14.140 80 HA LYS 8 HA LYS 8 13.471 2.641 -16.235 81 HB2 LYS 8 HB2 LYS 8 12.963 1.872 -13.354 82 HB3 LYS 8 HB3 LYS 8 13.906 0.937 -14.507 83 HG2 LYS 8 HG2 LYS 8 15.703 2.045 -13.849 84 HG3 LYS 8 HG3 LYS 8 15.004 3.512 -14.539 85 HD2 LYS 8 HD2 LYS 8 15.257 4.245 -12.405 86 HD3 LYS 8 HD3 LYS 8 13.682 3.471 -12.217 87 HE2 LYS 8 HE2 LYS 8 16.319 2.119 -11.665 88 HE3 LYS 8 HE3 LYS 8 15.327 2.897 -10.433 89 HZ1 LYS 8 HZ1 LYS 8 13.514 1.362 -11.059 90 HZ2 LYS 8 HZ2 LYS 8 14.577 0.561 -12.104 91 HZ3 LYS 8 HZ3 LYS 8 14.872 0.565 -10.438 92 H SER 9 H SER 9 10.514 2.609 -14.339 93 HA SER 9 HA SER 9 9.589 0.144 -15.544 94 HB2 SER 9 HB2 SER 9 8.901 0.416 -13.296 95 HB3 SER 9 HB3 SER 9 8.387 2.081 -13.570 96 HG SER 9 HG SER 9 6.696 0.391 -13.473 97 H PHE 10 H PHE 10 8.985 3.599 -15.824 98 HA PHE 10 HA PHE 10 6.718 3.475 -17.479 99 HB2 PHE 10 HB2 PHE 10 8.858 5.576 -17.143 100 HB3 PHE 10 HB3 PHE 10 7.462 5.803 -18.191 101 HD1 PHE 10 HD1 PHE 10 8.573 7.030 -15.373 102 HD2 PHE 10 HD2 PHE 10 5.300 4.618 -16.634 103 HE1 PHE 10 HE1 PHE 10 7.260 7.810 -13.444 104 HE2 PHE 10 HE2 PHE 10 3.982 5.394 -14.707 105 HZ PHE 10 HZ PHE 10 4.961 6.993 -13.110 106 H LEU 11 H LEU 11 10.155 3.328 -18.182 107 HA LEU 11 HA LEU 11 9.665 3.313 -21.054 108 HB2 LEU 11 HB2 LEU 11 11.580 4.486 -20.758 109 HB3 LEU 11 HB3 LEU 11 12.016 3.612 -19.292 110 HG LEU 11 HG LEU 11 12.799 1.729 -20.663 111 HD11 LEU 11 HD11 LEU 11 11.234 2.292 -22.583 112 HD12 LEU 11 HD12 LEU 11 12.432 3.492 -23.067 113 HD13 LEU 11 HD13 LEU 11 12.868 1.784 -23.010 114 HD21 LEU 11 HD21 LEU 11 14.142 4.149 -21.778 115 HD22 LEU 11 HD22 LEU 11 14.175 3.862 -20.038 116 HD23 LEU 11 HD23 LEU 11 14.846 2.662 -21.142 Start of MODEL 14 1 H1 LYS 1 H LYS 1 3.271 -1.744 0.263 2 HA LYS 1 HA LYS 1 3.154 -1.447 -2.017 3 HB2 LYS 1 HB2 LYS 1 0.350 -0.612 -1.322 4 HB3 LYS 1 HB3 LYS 1 0.992 -0.371 -2.941 5 HG2 LYS 1 HG2 LYS 1 1.591 -2.903 -2.774 6 HG3 LYS 1 HG3 LYS 1 0.357 -2.908 -1.512 7 HD2 LYS 1 HD2 LYS 1 -0.615 -1.456 -3.776 8 HD3 LYS 1 HD3 LYS 1 -0.007 -3.025 -4.310 9 HE2 LYS 1 HE2 LYS 1 -2.132 -3.628 -3.755 10 HE3 LYS 1 HE3 LYS 1 -1.359 -3.852 -2.186 11 HZ1 LYS 1 HZ1 LYS 1 -2.083 -1.575 -1.612 12 HZ2 LYS 1 HZ2 LYS 1 -2.940 -1.499 -3.069 13 HZ3 LYS 1 HZ3 LYS 1 -3.375 -2.631 -1.890 14 H PHE 2 H PHE 2 3.125 0.426 -3.575 15 HA PHE 2 HA PHE 2 3.268 3.046 -2.307 16 HB2 PHE 2 HB2 PHE 2 5.594 1.851 -3.830 17 HB3 PHE 2 HB3 PHE 2 5.503 3.504 -3.230 18 HD1 PHE 2 HD1 PHE 2 5.415 3.896 -0.757 19 HD2 PHE 2 HD2 PHE 2 6.292 0.089 -2.446 20 HE1 PHE 2 HE1 PHE 2 6.388 3.174 1.384 21 HE2 PHE 2 HE2 PHE 2 7.265 -0.640 -0.307 22 HZ PHE 2 HZ PHE 2 7.313 0.903 1.612 23 H LYS 3 H LYS 3 3.316 4.807 -3.831 24 HA LYS 3 HA LYS 3 2.448 4.038 -6.540 25 HB2 LYS 3 HB2 LYS 3 0.954 6.045 -6.486 26 HB3 LYS 3 HB3 LYS 3 0.489 4.770 -5.368 27 HG2 LYS 3 HG2 LYS 3 0.424 6.311 -3.779 28 HG3 LYS 3 HG3 LYS 3 2.182 6.412 -3.896 29 HD2 LYS 3 HD2 LYS 3 1.442 7.982 -5.976 30 HD3 LYS 3 HD3 LYS 3 0.107 8.266 -4.857 31 HE2 LYS 3 HE2 LYS 3 2.767 8.317 -3.623 32 HE3 LYS 3 HE3 LYS 3 2.493 9.584 -4.817 33 HZ1 LYS 3 HZ1 LYS 3 0.212 9.606 -3.357 34 HZ2 LYS 3 HZ2 LYS 3 1.387 9.283 -2.183 35 HZ3 LYS 3 HZ3 LYS 3 1.515 10.666 -3.150 36 H LYS 4 H LYS 4 5.107 4.675 -5.750 37 HA LYS 4 HA LYS 4 5.727 7.388 -6.341 38 HB2 LYS 4 HB2 LYS 4 8.024 6.703 -6.306 39 HB3 LYS 4 HB3 LYS 4 7.185 5.841 -5.023 40 HG2 LYS 4 HG2 LYS 4 6.938 4.013 -6.926 41 HG3 LYS 4 HG3 LYS 4 8.388 4.818 -7.531 42 HD2 LYS 4 HD2 LYS 4 9.229 4.575 -5.086 43 HD3 LYS 4 HD3 LYS 4 7.971 3.344 -4.958 44 HE2 LYS 4 HE2 LYS 4 9.965 3.313 -7.198 45 HE3 LYS 4 HE3 LYS 4 10.343 2.607 -5.628 46 HZ1 LYS 4 HZ1 LYS 4 9.491 0.918 -7.073 47 HZ2 LYS 4 HZ2 LYS 4 8.343 1.214 -5.867 48 HZ3 LYS 4 HZ3 LYS 4 8.111 1.831 -7.425 49 H VAL 5 H VAL 5 7.658 7.510 -8.162 50 HA VAL 5 HA VAL 5 6.280 6.790 -10.657 51 HB VAL 5 HB VAL 5 8.388 8.900 -10.173 52 HG11 VAL 5 HG11 VAL 5 8.742 8.473 -12.378 53 HG12 VAL 5 HG12 VAL 5 7.122 7.823 -12.627 54 HG13 VAL 5 HG13 VAL 5 7.368 9.567 -12.538 55 HG21 VAL 5 HG21 VAL 5 5.522 8.901 -9.863 56 HG22 VAL 5 HG22 VAL 5 6.695 10.156 -9.462 57 HG23 VAL 5 HG23 VAL 5 6.022 10.065 -11.090 58 H ILE 6 H ILE 6 7.307 5.693 -12.279 59 HA ILE 6 HA ILE 6 10.086 4.857 -11.810 60 HB ILE 6 HB ILE 6 9.024 2.661 -13.048 61 HG12 ILE 6 HG12 ILE 6 6.747 3.801 -12.487 62 HG13 ILE 6 HG13 ILE 6 6.947 2.080 -12.174 63 HG21 ILE 6 HG21 ILE 6 9.456 3.205 -10.118 64 HG22 ILE 6 HG22 ILE 6 9.192 1.596 -10.790 65 HG23 ILE 6 HG23 ILE 6 10.609 2.531 -11.270 66 HD11 ILE 6 HD11 ILE 6 5.906 3.747 -10.398 67 HD12 ILE 6 HD12 ILE 6 6.862 2.342 -9.928 68 HD13 ILE 6 HD13 ILE 6 7.606 3.940 -9.972 69 H TRP 7 H TRP 7 10.981 6.070 -13.413 70 HA TRP 7 HA TRP 7 9.812 6.191 -16.046 71 HB2 TRP 7 HB2 TRP 7 10.938 8.161 -15.285 72 HB3 TRP 7 HB3 TRP 7 12.395 7.251 -14.895 73 HD1 TRP 7 HD1 TRP 7 14.189 8.061 -16.533 74 HE1 TRP 7 HE1 TRP 7 14.338 8.401 -19.080 75 HE3 TRP 7 HE3 TRP 7 9.328 7.070 -17.769 76 HZ2 TRP 7 HZ2 TRP 7 12.621 8.267 -21.317 77 HZ3 TRP 7 HZ3 TRP 7 8.663 7.198 -20.134 78 HH2 TRP 7 HH2 TRP 7 10.277 7.785 -21.870 79 H LYS 8 H LYS 8 12.463 4.506 -14.470 80 HA LYS 8 HA LYS 8 13.808 3.517 -16.694 81 HB2 LYS 8 HB2 LYS 8 13.359 2.132 -14.043 82 HB3 LYS 8 HB3 LYS 8 14.604 1.724 -15.216 83 HG2 LYS 8 HG2 LYS 8 15.972 3.236 -14.360 84 HG3 LYS 8 HG3 LYS 8 14.767 4.508 -14.569 85 HD2 LYS 8 HD2 LYS 8 13.698 3.675 -12.438 86 HD3 LYS 8 HD3 LYS 8 15.131 2.670 -12.211 87 HE2 LYS 8 HE2 LYS 8 15.817 4.491 -11.044 88 HE3 LYS 8 HE3 LYS 8 16.337 5.006 -12.648 89 HZ1 LYS 8 HZ1 LYS 8 15.131 6.757 -11.505 90 HZ2 LYS 8 HZ2 LYS 8 14.279 6.251 -12.877 91 HZ3 LYS 8 HZ3 LYS 8 13.778 5.755 -11.339 92 H SER 9 H SER 9 10.867 2.390 -15.135 93 HA SER 9 HA SER 9 10.715 0.006 -16.760 94 HB2 SER 9 HB2 SER 9 9.005 -0.650 -15.386 95 HB3 SER 9 HB3 SER 9 9.744 0.544 -14.319 96 HG SER 9 HG SER 9 7.365 0.655 -14.747 97 H PHE 10 H PHE 10 9.274 3.211 -16.694 98 HA PHE 10 HA PHE 10 7.260 2.774 -18.610 99 HB2 PHE 10 HB2 PHE 10 8.624 5.155 -17.460 100 HB3 PHE 10 HB3 PHE 10 7.740 5.381 -18.966 101 HD1 PHE 10 HD1 PHE 10 6.981 3.219 -16.035 102 HD2 PHE 10 HD2 PHE 10 5.829 6.556 -18.413 103 HE1 PHE 10 HE1 PHE 10 4.879 3.391 -14.768 104 HE2 PHE 10 HE2 PHE 10 3.725 6.734 -17.149 105 HZ PHE 10 HZ PHE 10 3.248 5.151 -15.324 106 H LEU 11 H LEU 11 10.660 3.606 -18.900 107 HA LEU 11 HA LEU 11 10.428 3.861 -21.798 108 HB2 LEU 11 HB2 LEU 11 11.872 5.487 -21.161 109 HB3 LEU 11 HB3 LEU 11 12.432 4.589 -19.753 110 HG LEU 11 HG LEU 11 13.851 3.212 -21.211 111 HD11 LEU 11 HD11 LEU 11 13.158 5.094 -23.448 112 HD12 LEU 11 HD12 LEU 11 14.087 3.596 -23.517 113 HD13 LEU 11 HD13 LEU 11 12.348 3.543 -23.230 114 HD21 LEU 11 HD21 LEU 11 15.466 4.699 -20.876 115 HD22 LEU 11 HD22 LEU 11 14.821 5.758 -22.131 116 HD23 LEU 11 HD23 LEU 11 14.224 5.886 -20.476 Start of MODEL 15 1 H1 LYS 1 H LYS 1 2.438 -2.336 -0.042 2 HA LYS 1 HA LYS 1 3.037 -1.315 -2.396 3 HB2 LYS 1 HB2 LYS 1 0.760 -2.167 -1.573 4 HB3 LYS 1 HB3 LYS 1 0.410 -0.490 -1.175 5 HG2 LYS 1 HG2 LYS 1 1.316 -0.334 -3.766 6 HG3 LYS 1 HG3 LYS 1 0.397 -1.841 -3.747 7 HD2 LYS 1 HD2 LYS 1 -0.825 0.520 -2.430 8 HD3 LYS 1 HD3 LYS 1 -0.742 0.527 -4.194 9 HE2 LYS 1 HE2 LYS 1 -2.824 -0.437 -3.668 10 HE3 LYS 1 HE3 LYS 1 -1.779 -1.788 -4.104 11 HZ1 LYS 1 HZ1 LYS 1 -3.212 -1.443 -1.751 12 HZ2 LYS 1 HZ2 LYS 1 -2.127 -2.687 -2.126 13 HZ3 LYS 1 HZ3 LYS 1 -1.578 -1.295 -1.337 14 H PHE 2 H PHE 2 3.992 0.471 -3.090 15 HA PHE 2 HA PHE 2 3.433 3.002 -1.689 16 HB2 PHE 2 HB2 PHE 2 5.940 2.107 -3.123 17 HB3 PHE 2 HB3 PHE 2 5.679 3.738 -2.512 18 HD1 PHE 2 HD1 PHE 2 4.534 3.397 0.080 19 HD2 PHE 2 HD2 PHE 2 7.531 1.065 -1.841 20 HE1 PHE 2 HE1 PHE 2 5.406 2.714 2.277 21 HE2 PHE 2 HE2 PHE 2 8.408 0.377 0.353 22 HZ PHE 2 HZ PHE 2 7.345 1.202 2.416 23 H LYS 3 H LYS 3 3.166 4.885 -2.918 24 HA LYS 3 HA LYS 3 2.467 4.389 -5.734 25 HB2 LYS 3 HB2 LYS 3 1.043 6.455 -5.483 26 HB3 LYS 3 HB3 LYS 3 0.526 5.068 -4.533 27 HG2 LYS 3 HG2 LYS 3 2.359 6.841 -3.113 28 HG3 LYS 3 HG3 LYS 3 0.843 7.609 -3.591 29 HD2 LYS 3 HD2 LYS 3 -0.394 6.347 -2.178 30 HD3 LYS 3 HD3 LYS 3 0.609 4.913 -2.414 31 HE2 LYS 3 HE2 LYS 3 2.335 5.899 -0.976 32 HE3 LYS 3 HE3 LYS 3 1.316 7.317 -0.732 33 HZ1 LYS 3 HZ1 LYS 3 -0.094 6.188 0.628 34 HZ2 LYS 3 HZ2 LYS 3 0.189 4.690 -0.105 35 HZ3 LYS 3 HZ3 LYS 3 1.329 5.336 0.966 36 H LYS 4 H LYS 4 4.832 4.672 -6.108 37 HA LYS 4 HA LYS 4 5.600 7.513 -6.161 38 HB2 LYS 4 HB2 LYS 4 7.897 6.807 -6.208 39 HB3 LYS 4 HB3 LYS 4 7.090 5.964 -4.893 40 HG2 LYS 4 HG2 LYS 4 6.889 4.368 -7.237 41 HG3 LYS 4 HG3 LYS 4 8.569 4.873 -7.038 42 HD2 LYS 4 HD2 LYS 4 8.237 4.164 -4.570 43 HD3 LYS 4 HD3 LYS 4 6.839 3.276 -5.182 44 HE2 LYS 4 HE2 LYS 4 8.714 2.515 -6.965 45 HE3 LYS 4 HE3 LYS 4 9.724 2.770 -5.542 46 HZ1 LYS 4 HZ1 LYS 4 7.721 1.382 -4.481 47 HZ2 LYS 4 HZ2 LYS 4 7.712 0.739 -6.046 48 HZ3 LYS 4 HZ3 LYS 4 9.118 0.663 -5.108 49 H VAL 5 H VAL 5 7.495 7.617 -8.034 50 HA VAL 5 HA VAL 5 6.029 6.962 -10.494 51 HB VAL 5 HB VAL 5 8.284 8.942 -10.146 52 HG11 VAL 5 HG11 VAL 5 6.804 7.916 -12.441 53 HG12 VAL 5 HG12 VAL 5 6.807 9.677 -12.339 54 HG13 VAL 5 HG13 VAL 5 8.333 8.793 -12.377 55 HG21 VAL 5 HG21 VAL 5 6.331 9.612 -8.839 56 HG22 VAL 5 HG22 VAL 5 6.561 10.675 -10.227 57 HG23 VAL 5 HG23 VAL 5 5.309 9.433 -10.265 58 H ILE 6 H ILE 6 6.909 5.733 -12.076 59 HA ILE 6 HA ILE 6 9.701 4.865 -11.767 60 HB ILE 6 HB ILE 6 8.398 2.674 -12.877 61 HG12 ILE 6 HG12 ILE 6 6.296 3.860 -11.955 62 HG13 ILE 6 HG13 ILE 6 6.521 2.156 -11.573 63 HG21 ILE 6 HG21 ILE 6 10.108 2.101 -11.504 64 HG22 ILE 6 HG22 ILE 6 9.720 3.349 -10.319 65 HG23 ILE 6 HG23 ILE 6 8.784 1.855 -10.364 66 HD11 ILE 6 HD11 ILE 6 5.896 4.042 -9.764 67 HD12 ILE 6 HD12 ILE 6 6.754 2.550 -9.378 68 HD13 ILE 6 HD13 ILE 6 7.655 4.045 -9.631 69 H TRP 7 H TRP 7 10.486 6.027 -13.471 70 HA TRP 7 HA TRP 7 9.149 6.045 -16.025 71 HB2 TRP 7 HB2 TRP 7 10.813 7.560 -16.729 72 HB3 TRP 7 HB3 TRP 7 10.554 7.943 -15.030 73 HD1 TRP 7 HD1 TRP 7 12.570 7.592 -13.376 74 HE1 TRP 7 HE1 TRP 7 15.060 7.042 -13.721 75 HE3 TRP 7 HE3 TRP 7 12.415 6.174 -18.285 76 HZ2 TRP 7 HZ2 TRP 7 16.737 6.128 -15.799 77 HZ3 TRP 7 HZ3 TRP 7 14.506 5.476 -19.377 78 HH2 TRP 7 HH2 TRP 7 16.621 5.455 -18.159 79 H LYS 8 H LYS 8 11.804 4.339 -14.519 80 HA LYS 8 HA LYS 8 13.139 3.304 -16.698 81 HB2 LYS 8 HB2 LYS 8 12.492 1.793 -14.161 82 HB3 LYS 8 HB3 LYS 8 13.827 1.473 -15.261 83 HG2 LYS 8 HG2 LYS 8 15.106 2.842 -14.090 84 HG3 LYS 8 HG3 LYS 8 14.019 4.180 -14.474 85 HD2 LYS 8 HD2 LYS 8 12.578 3.265 -12.536 86 HD3 LYS 8 HD3 LYS 8 14.039 2.392 -12.066 87 HE2 LYS 8 HE2 LYS 8 14.050 5.352 -12.573 88 HE3 LYS 8 HE3 LYS 8 13.625 4.681 -11.000 89 HZ1 LYS 8 HZ1 LYS 8 16.209 4.866 -12.293 90 HZ2 LYS 8 HZ2 LYS 8 15.820 4.837 -10.647 91 HZ3 LYS 8 HZ3 LYS 8 15.905 3.391 -11.521 92 H SER 9 H SER 9 10.061 2.323 -15.328 93 HA SER 9 HA SER 9 9.683 -0.140 -16.506 94 HB2 SER 9 HB2 SER 9 7.977 0.452 -15.049 95 HB3 SER 9 HB3 SER 9 7.816 2.070 -15.731 96 HG SER 9 HG SER 9 6.342 1.316 -17.008 97 H PHE 10 H PHE 10 9.411 3.054 -17.935 98 HA PHE 10 HA PHE 10 8.494 1.930 -20.467 99 HB2 PHE 10 HB2 PHE 10 8.918 4.780 -19.554 100 HB3 PHE 10 HB3 PHE 10 8.403 4.339 -21.178 101 HD1 PHE 10 HD1 PHE 10 7.407 4.763 -17.727 102 HD2 PHE 10 HD2 PHE 10 6.201 3.280 -21.530 103 HE1 PHE 10 HE1 PHE 10 5.066 4.733 -16.970 104 HE2 PHE 10 HE2 PHE 10 3.858 3.248 -20.779 105 HZ PHE 10 HZ PHE 10 3.288 3.976 -18.496 106 H LEU 11 H LEU 11 11.304 3.475 -19.034 107 HA LEU 11 HA LEU 11 13.417 3.856 -19.799 108 HB2 LEU 11 HB2 LEU 11 12.823 1.208 -20.098 109 HB3 LEU 11 HB3 LEU 11 13.371 1.641 -21.717 110 HG LEU 11 HG LEU 11 14.967 2.070 -19.193 111 HD11 LEU 11 HD11 LEU 11 15.631 -0.040 -19.303 112 HD12 LEU 11 HD12 LEU 11 14.456 -0.324 -20.587 113 HD13 LEU 11 HD13 LEU 11 16.101 0.165 -20.990 114 HD21 LEU 11 HD21 LEU 11 16.741 2.732 -20.564 115 HD22 LEU 11 HD22 LEU 11 15.967 2.109 -22.022 116 HD23 LEU 11 HD23 LEU 11 15.339 3.561 -21.242 Start of MODEL 16 1 H1 LYS 1 H LYS 1 3.139 -0.206 -7.861 2 HA LYS 1 HA LYS 1 2.148 2.024 -7.629 3 HB2 LYS 1 HB2 LYS 1 0.600 2.330 -5.669 4 HB3 LYS 1 HB3 LYS 1 -0.052 1.365 -6.986 5 HG2 LYS 1 HG2 LYS 1 1.311 -0.232 -4.969 6 HG3 LYS 1 HG3 LYS 1 -0.058 0.682 -4.332 7 HD2 LYS 1 HD2 LYS 1 -0.433 -0.772 -6.896 8 HD3 LYS 1 HD3 LYS 1 -0.350 -1.726 -5.413 9 HE2 LYS 1 HE2 LYS 1 -2.497 -1.258 -5.077 10 HE3 LYS 1 HE3 LYS 1 -2.037 0.425 -4.825 11 HZ1 LYS 1 HZ1 LYS 1 -2.135 -0.055 -7.579 12 HZ2 LYS 1 HZ2 LYS 1 -3.563 -0.660 -6.904 13 HZ3 LYS 1 HZ3 LYS 1 -3.129 0.957 -6.657 14 H PHE 2 H PHE 2 2.389 3.476 -5.554 15 HA PHE 2 HA PHE 2 3.801 4.315 -3.982 16 HB2 PHE 2 HB2 PHE 2 3.579 1.443 -3.280 17 HB3 PHE 2 HB3 PHE 2 4.917 2.324 -2.550 18 HD1 PHE 2 HD1 PHE 2 4.528 3.203 -0.476 19 HD2 PHE 2 HD2 PHE 2 1.278 2.858 -3.203 20 HE1 PHE 2 HE1 PHE 2 3.003 4.104 1.232 21 HE2 PHE 2 HE2 PHE 2 -0.252 3.758 -1.500 22 HZ PHE 2 HZ PHE 2 0.610 4.383 0.721 23 H LYS 3 H LYS 3 6.175 4.009 -3.079 24 HA LYS 3 HA LYS 3 8.378 4.240 -3.617 25 HB2 LYS 3 HB2 LYS 3 7.994 1.820 -5.371 26 HB3 LYS 3 HB3 LYS 3 9.442 2.311 -4.501 27 HG2 LYS 3 HG2 LYS 3 6.879 1.369 -3.229 28 HG3 LYS 3 HG3 LYS 3 8.334 0.395 -3.457 29 HD2 LYS 3 HD2 LYS 3 8.997 1.113 -1.453 30 HD3 LYS 3 HD3 LYS 3 9.236 2.698 -2.191 31 HE2 LYS 3 HE2 LYS 3 7.292 3.542 -1.334 32 HE3 LYS 3 HE3 LYS 3 6.494 1.970 -1.306 33 HZ1 LYS 3 HZ1 LYS 3 7.265 1.518 0.741 34 HZ2 LYS 3 HZ2 LYS 3 8.763 2.259 0.479 35 HZ3 LYS 3 HZ3 LYS 3 7.411 3.199 0.868 36 H LYS 4 H LYS 4 7.837 6.195 -4.823 37 HA LYS 4 HA LYS 4 7.948 7.569 -6.636 38 HB2 LYS 4 HB2 LYS 4 9.847 5.363 -7.400 39 HB3 LYS 4 HB3 LYS 4 9.581 6.748 -8.451 40 HG2 LYS 4 HG2 LYS 4 10.239 7.301 -5.617 41 HG3 LYS 4 HG3 LYS 4 11.526 6.672 -6.649 42 HD2 LYS 4 HD2 LYS 4 10.726 8.525 -8.300 43 HD3 LYS 4 HD3 LYS 4 10.009 9.242 -6.856 44 HE2 LYS 4 HE2 LYS 4 12.195 10.183 -7.186 45 HE3 LYS 4 HE3 LYS 4 12.235 9.141 -5.765 46 HZ1 LYS 4 HZ1 LYS 4 12.942 7.909 -8.308 47 HZ2 LYS 4 HZ2 LYS 4 14.049 9.025 -7.681 48 HZ3 LYS 4 HZ3 LYS 4 13.603 7.672 -6.768 49 H VAL 5 H VAL 5 7.942 7.387 -9.270 50 HA VAL 5 HA VAL 5 5.389 6.130 -9.839 51 HB VAL 5 HB VAL 5 7.101 7.767 -11.709 52 HG11 VAL 5 HG11 VAL 5 5.548 7.228 -13.204 53 HG12 VAL 5 HG12 VAL 5 4.602 6.375 -11.984 54 HG13 VAL 5 HG13 VAL 5 4.371 8.107 -12.228 55 HG21 VAL 5 HG21 VAL 5 5.135 8.592 -9.606 56 HG22 VAL 5 HG22 VAL 5 6.731 9.252 -9.960 57 HG23 VAL 5 HG23 VAL 5 5.381 9.578 -11.046 58 H ILE 6 H ILE 6 5.050 4.411 -11.144 59 HA ILE 6 HA ILE 6 7.085 2.555 -11.605 60 HB ILE 6 HB ILE 6 4.410 2.778 -12.990 61 HG12 ILE 6 HG12 ILE 6 5.283 1.169 -10.580 62 HG13 ILE 6 HG13 ILE 6 4.239 2.586 -10.548 63 HG21 ILE 6 HG21 ILE 6 4.706 0.365 -13.446 64 HG22 ILE 6 HG22 ILE 6 5.891 1.375 -14.275 65 HG23 ILE 6 HG23 ILE 6 6.353 0.479 -12.828 66 HD11 ILE 6 HD11 ILE 6 2.585 1.356 -11.893 67 HD12 ILE 6 HD12 ILE 6 3.622 -0.069 -11.819 68 HD13 ILE 6 HD13 ILE 6 2.920 0.588 -10.340 69 H TRP 7 H TRP 7 6.101 5.297 -13.437 70 HA TRP 7 HA TRP 7 6.795 4.642 -16.024 71 HB2 TRP 7 HB2 TRP 7 5.794 6.772 -15.557 72 HB3 TRP 7 HB3 TRP 7 7.146 7.245 -14.531 73 HD1 TRP 7 HD1 TRP 7 8.342 9.151 -15.751 74 HE1 TRP 7 HE1 TRP 7 9.203 9.554 -18.143 75 HE3 TRP 7 HE3 TRP 7 6.538 4.922 -17.987 76 HZ2 TRP 7 HZ2 TRP 7 9.127 8.252 -20.646 77 HZ3 TRP 7 HZ3 TRP 7 6.975 4.577 -20.383 78 HH2 TRP 7 HH2 TRP 7 8.243 6.209 -21.684 79 H LYS 8 H LYS 8 8.883 5.447 -13.316 80 HA LYS 8 HA LYS 8 11.286 5.891 -14.618 81 HB2 LYS 8 HB2 LYS 8 12.379 5.253 -12.553 82 HB3 LYS 8 HB3 LYS 8 10.924 6.169 -12.185 83 HG2 LYS 8 HG2 LYS 8 9.835 3.800 -12.003 84 HG3 LYS 8 HG3 LYS 8 11.505 3.279 -11.763 85 HD2 LYS 8 HD2 LYS 8 10.275 5.519 -10.178 86 HD3 LYS 8 HD3 LYS 8 10.154 3.832 -9.675 87 HE2 LYS 8 HE2 LYS 8 12.092 4.196 -8.618 88 HE3 LYS 8 HE3 LYS 8 12.824 4.090 -10.219 89 HZ1 LYS 8 HZ1 LYS 8 13.356 6.116 -8.781 90 HZ2 LYS 8 HZ2 LYS 8 12.947 6.387 -10.400 91 HZ3 LYS 8 HZ3 LYS 8 11.805 6.660 -9.183 92 H SER 9 H SER 9 9.659 2.862 -13.898 93 HA SER 9 HA SER 9 11.895 1.271 -14.829 94 HB2 SER 9 HB2 SER 9 10.294 0.597 -12.953 95 HB3 SER 9 HB3 SER 9 9.113 0.269 -14.221 96 HG SER 9 HG SER 9 11.029 -1.317 -13.362 97 H PHE 10 H PHE 10 8.698 2.243 -15.956 98 HA PHE 10 HA PHE 10 8.499 0.616 -18.208 99 HB2 PHE 10 HB2 PHE 10 7.306 3.192 -17.346 100 HB3 PHE 10 HB3 PHE 10 7.212 2.820 -19.064 101 HD1 PHE 10 HD1 PHE 10 6.992 0.578 -16.104 102 HD2 PHE 10 HD2 PHE 10 5.010 2.255 -19.476 103 HE1 PHE 10 HE1 PHE 10 5.049 -0.871 -15.678 104 HE2 PHE 10 HE2 PHE 10 3.064 0.810 -19.055 105 HZ PHE 10 HZ PHE 10 3.081 -0.755 -17.154 106 H LEU 11 H LEU 11 10.206 3.647 -17.724 107 HA LEU 11 HA LEU 11 11.030 3.696 -20.528 108 HB2 LEU 11 HB2 LEU 11 10.540 5.851 -20.020 109 HB3 LEU 11 HB3 LEU 11 10.935 5.651 -18.314 110 HG LEU 11 HG LEU 11 13.325 5.801 -18.862 111 HD11 LEU 11 HD11 LEU 11 12.506 6.562 -21.650 112 HD12 LEU 11 HD12 LEU 11 14.127 6.260 -21.024 113 HD13 LEU 11 HD13 LEU 11 12.993 4.923 -21.219 114 HD21 LEU 11 HD21 LEU 11 13.380 8.162 -19.309 115 HD22 LEU 11 HD22 LEU 11 11.760 8.111 -20.003 116 HD23 LEU 11 HD23 LEU 11 11.990 7.811 -18.281 Start of MODEL 17 1 H1 LYS 1 H LYS 1 0.190 3.591 0.413 2 HA LYS 1 HA LYS 1 1.586 1.307 0.613 3 HB2 LYS 1 HB2 LYS 1 -0.807 1.950 -1.083 4 HB3 LYS 1 HB3 LYS 1 -0.130 0.327 -1.075 5 HG2 LYS 1 HG2 LYS 1 -1.501 -0.044 0.640 6 HG3 LYS 1 HG3 LYS 1 -0.338 0.879 1.595 7 HD2 LYS 1 HD2 LYS 1 -1.603 2.909 1.246 8 HD3 LYS 1 HD3 LYS 1 -2.715 2.067 0.164 9 HE2 LYS 1 HE2 LYS 1 -2.336 1.060 2.948 10 HE3 LYS 1 HE3 LYS 1 -3.343 2.482 2.676 11 HZ1 LYS 1 HZ1 LYS 1 -4.986 1.200 1.965 12 HZ2 LYS 1 HZ2 LYS 1 -3.992 0.433 0.830 13 HZ3 LYS 1 HZ3 LYS 1 -4.086 -0.162 2.411 14 H PHE 2 H PHE 2 1.279 3.235 -2.328 15 HA PHE 2 HA PHE 2 3.404 1.587 -3.534 16 HB2 PHE 2 HB2 PHE 2 1.176 3.020 -4.997 17 HB3 PHE 2 HB3 PHE 2 2.438 2.036 -5.731 18 HD1 PHE 2 HD1 PHE 2 2.394 -0.381 -5.557 19 HD2 PHE 2 HD2 PHE 2 -0.679 2.011 -3.839 20 HE1 PHE 2 HE1 PHE 2 0.973 -2.377 -5.328 21 HE2 PHE 2 HE2 PHE 2 -2.105 0.019 -3.607 22 HZ PHE 2 HZ PHE 2 -1.279 -2.179 -4.350 23 H LYS 3 H LYS 3 5.226 2.724 -3.420 24 HA LYS 3 HA LYS 3 5.135 5.572 -4.174 25 HB2 LYS 3 HB2 LYS 3 7.129 5.868 -2.685 26 HB3 LYS 3 HB3 LYS 3 5.641 5.472 -1.836 27 HG2 LYS 3 HG2 LYS 3 6.731 3.833 -0.826 28 HG3 LYS 3 HG3 LYS 3 6.855 3.017 -2.387 29 HD2 LYS 3 HD2 LYS 3 8.884 4.764 -2.621 30 HD3 LYS 3 HD3 LYS 3 8.882 4.542 -0.870 31 HE2 LYS 3 HE2 LYS 3 8.638 2.060 -2.409 32 HE3 LYS 3 HE3 LYS 3 10.155 2.922 -2.659 33 HZ1 LYS 3 HZ1 LYS 3 10.609 2.857 -0.341 34 HZ2 LYS 3 HZ2 LYS 3 9.072 2.249 0.019 35 HZ3 LYS 3 HZ3 LYS 3 10.190 1.286 -0.809 36 H LYS 4 H LYS 4 5.457 3.508 -6.040 37 HA LYS 4 HA LYS 4 8.265 3.913 -6.836 38 HB2 LYS 4 HB2 LYS 4 8.168 1.699 -7.951 39 HB3 LYS 4 HB3 LYS 4 7.994 1.595 -6.204 40 HG2 LYS 4 HG2 LYS 4 5.398 1.773 -7.001 41 HG3 LYS 4 HG3 LYS 4 6.124 0.869 -8.332 42 HD2 LYS 4 HD2 LYS 4 7.106 -0.686 -6.650 43 HD3 LYS 4 HD3 LYS 4 6.203 0.170 -5.398 44 HE2 LYS 4 HE2 LYS 4 4.825 -1.630 -5.898 45 HE3 LYS 4 HE3 LYS 4 4.140 -0.327 -6.868 46 HZ1 LYS 4 HZ1 LYS 4 4.306 -1.790 -8.530 47 HZ2 LYS 4 HZ2 LYS 4 5.953 -1.401 -8.543 48 HZ3 LYS 4 HZ3 LYS 4 5.414 -2.772 -7.711 49 H VAL 5 H VAL 5 8.650 4.480 -8.936 50 HA VAL 5 HA VAL 5 6.280 5.160 -10.530 51 HB VAL 5 HB VAL 5 9.116 6.132 -10.896 52 HG11 VAL 5 HG11 VAL 5 6.624 6.469 -12.394 53 HG12 VAL 5 HG12 VAL 5 7.458 7.979 -12.025 54 HG13 VAL 5 HG13 VAL 5 8.296 6.700 -12.904 55 HG21 VAL 5 HG21 VAL 5 6.817 7.216 -9.316 56 HG22 VAL 5 HG22 VAL 5 8.515 7.070 -8.862 57 HG23 VAL 5 HG23 VAL 5 8.014 8.306 -10.015 58 H ILE 6 H ILE 6 6.000 4.437 -12.598 59 HA ILE 6 HA ILE 6 7.692 2.194 -13.406 60 HB ILE 6 HB ILE 6 5.019 3.106 -14.477 61 HG12 ILE 6 HG12 ILE 6 5.772 0.747 -12.737 62 HG13 ILE 6 HG13 ILE 6 4.907 2.183 -12.203 63 HG21 ILE 6 HG21 ILE 6 6.277 2.029 -16.226 64 HG22 ILE 6 HG22 ILE 6 6.690 0.690 -15.155 65 HG23 ILE 6 HG23 ILE 6 5.018 0.931 -15.661 66 HD11 ILE 6 HD11 ILE 6 3.939 0.119 -14.162 67 HD12 ILE 6 HD12 ILE 6 3.354 0.390 -12.521 68 HD13 ILE 6 HD13 ILE 6 3.083 1.609 -13.766 69 H TRP 7 H TRP 7 6.988 5.455 -14.243 70 HA TRP 7 HA TRP 7 7.541 5.541 -16.954 71 HB2 TRP 7 HB2 TRP 7 6.740 7.506 -15.831 72 HB3 TRP 7 HB3 TRP 7 8.155 7.549 -14.782 73 HD1 TRP 7 HD1 TRP 7 9.487 9.630 -15.450 74 HE1 TRP 7 HE1 TRP 7 10.316 10.656 -17.660 75 HE3 TRP 7 HE3 TRP 7 7.249 6.410 -18.731 76 HZ2 TRP 7 HZ2 TRP 7 10.055 10.166 -20.428 77 HZ3 TRP 7 HZ3 TRP 7 7.588 6.759 -21.142 78 HH2 TRP 7 HH2 TRP 7 8.962 8.599 -21.971 79 H LYS 8 H LYS 8 9.746 5.336 -14.228 80 HA LYS 8 HA LYS 8 12.131 5.862 -15.655 81 HB2 LYS 8 HB2 LYS 8 13.248 4.755 -13.713 82 HB3 LYS 8 HB3 LYS 8 12.131 6.036 -13.260 83 HG2 LYS 8 HG2 LYS 8 11.621 4.395 -11.735 84 HG3 LYS 8 HG3 LYS 8 10.423 4.098 -12.997 85 HD2 LYS 8 HD2 LYS 8 11.254 2.071 -13.435 86 HD3 LYS 8 HD3 LYS 8 12.911 2.680 -13.485 87 HE2 LYS 8 HE2 LYS 8 12.487 0.971 -11.713 88 HE3 LYS 8 HE3 LYS 8 13.123 2.501 -11.114 89 HZ1 LYS 8 HZ1 LYS 8 10.276 2.499 -11.159 90 HZ2 LYS 8 HZ2 LYS 8 10.870 1.212 -10.235 91 HZ3 LYS 8 HZ3 LYS 8 11.328 2.798 -9.868 92 H SER 9 H SER 9 10.160 3.026 -15.279 93 HA SER 9 HA SER 9 12.179 1.195 -16.213 94 HB2 SER 9 HB2 SER 9 10.495 0.355 -14.691 95 HB3 SER 9 HB3 SER 9 9.202 0.865 -15.776 96 HG SER 9 HG SER 9 11.171 -1.106 -16.325 97 H PHE 10 H PHE 10 9.449 2.937 -17.576 98 HA PHE 10 HA PHE 10 9.557 1.606 -20.112 99 HB2 PHE 10 HB2 PHE 10 8.060 3.939 -18.990 100 HB3 PHE 10 HB3 PHE 10 8.127 3.732 -20.737 101 HD1 PHE 10 HD1 PHE 10 7.712 1.393 -17.857 102 HD2 PHE 10 HD2 PHE 10 6.175 2.854 -21.548 103 HE1 PHE 10 HE1 PHE 10 5.869 -0.232 -17.729 104 HE2 PHE 10 HE2 PHE 10 4.329 1.232 -21.425 105 HZ PHE 10 HZ PHE 10 4.174 -0.313 -19.513 106 H LEU 11 H LEU 11 10.845 4.587 -18.764 107 HA LEU 11 HA LEU 11 11.659 5.907 -21.046 108 HB2 LEU 11 HB2 LEU 11 12.008 6.239 -18.345 109 HB3 LEU 11 HB3 LEU 11 13.653 5.959 -18.911 110 HG LEU 11 HG LEU 11 11.782 8.155 -19.790 111 HD11 LEU 11 HD11 LEU 11 14.229 8.035 -18.066 112 HD12 LEU 11 HD12 LEU 11 13.771 9.519 -18.902 113 HD13 LEU 11 HD13 LEU 11 12.669 8.788 -17.735 114 HD21 LEU 11 HD21 LEU 11 14.266 8.724 -20.806 115 HD22 LEU 11 HD22 LEU 11 14.124 6.987 -21.077 116 HD23 LEU 11 HD23 LEU 11 12.902 8.083 -21.722 Start of MODEL 18 1 H1 LYS 1 H LYS 1 4.562 -0.514 -4.929 2 HA LYS 1 HA LYS 1 3.564 -0.675 -2.297 3 HB2 LYS 1 HB2 LYS 1 6.578 -0.537 -2.502 4 HB3 LYS 1 HB3 LYS 1 5.635 -0.391 -1.025 5 HG2 LYS 1 HG2 LYS 1 4.751 -2.773 -1.909 6 HG3 LYS 1 HG3 LYS 1 6.390 -2.782 -2.565 7 HD2 LYS 1 HD2 LYS 1 7.008 -1.977 -0.134 8 HD3 LYS 1 HD3 LYS 1 5.472 -2.746 0.271 9 HE2 LYS 1 HE2 LYS 1 7.405 -4.244 -1.423 10 HE3 LYS 1 HE3 LYS 1 7.750 -4.088 0.298 11 HZ1 LYS 1 HZ1 LYS 1 5.064 -4.798 0.018 12 HZ2 LYS 1 HZ2 LYS 1 5.964 -5.840 -0.965 13 HZ3 LYS 1 HZ3 LYS 1 6.321 -5.714 0.684 14 H PHE 2 H PHE 2 2.726 1.280 -2.061 15 HA PHE 2 HA PHE 2 2.430 3.534 -2.110 16 HB2 PHE 2 HB2 PHE 2 5.311 3.161 -1.706 17 HB3 PHE 2 HB3 PHE 2 4.895 4.715 -2.423 18 HD1 PHE 2 HD1 PHE 2 4.262 6.465 -1.060 19 HD2 PHE 2 HD2 PHE 2 3.962 2.479 0.402 20 HE1 PHE 2 HE1 PHE 2 3.655 7.329 1.163 21 HE2 PHE 2 HE2 PHE 2 3.354 3.337 2.627 22 HZ PHE 2 HZ PHE 2 3.199 5.765 3.009 23 H LYS 3 H LYS 3 3.025 5.581 -3.465 24 HA LYS 3 HA LYS 3 2.586 4.865 -6.219 25 HB2 LYS 3 HB2 LYS 3 2.858 7.559 -4.875 26 HB3 LYS 3 HB3 LYS 3 2.421 7.326 -6.562 27 HG2 LYS 3 HG2 LYS 3 0.326 6.542 -6.056 28 HG3 LYS 3 HG3 LYS 3 0.805 5.982 -4.452 29 HD2 LYS 3 HD2 LYS 3 1.170 8.813 -4.607 30 HD3 LYS 3 HD3 LYS 3 -0.461 8.409 -5.147 31 HE2 LYS 3 HE2 LYS 3 0.595 7.127 -2.673 32 HE3 LYS 3 HE3 LYS 3 0.077 8.811 -2.601 33 HZ1 LYS 3 HZ1 LYS 3 -2.093 8.253 -3.083 34 HZ2 LYS 3 HZ2 LYS 3 -1.685 6.774 -3.794 35 HZ3 LYS 3 HZ3 LYS 3 -1.617 6.951 -2.113 36 H LYS 4 H LYS 4 4.800 3.771 -6.199 37 HA LYS 4 HA LYS 4 7.183 5.241 -6.199 38 HB2 LYS 4 HB2 LYS 4 6.404 2.654 -7.535 39 HB3 LYS 4 HB3 LYS 4 8.031 3.312 -7.647 40 HG2 LYS 4 HG2 LYS 4 6.757 2.910 -4.975 41 HG3 LYS 4 HG3 LYS 4 7.485 1.551 -5.834 42 HD2 LYS 4 HD2 LYS 4 8.977 4.120 -5.390 43 HD3 LYS 4 HD3 LYS 4 8.952 2.841 -4.174 44 HE2 LYS 4 HE2 LYS 4 9.896 2.564 -7.027 45 HE3 LYS 4 HE3 LYS 4 10.928 2.674 -5.601 46 HZ1 LYS 4 HZ1 LYS 4 9.590 0.405 -6.688 47 HZ2 LYS 4 HZ2 LYS 4 10.814 0.473 -5.522 48 HZ3 LYS 4 HZ3 LYS 4 9.194 0.625 -5.058 49 H VAL 5 H VAL 5 8.601 5.209 -8.329 50 HA VAL 5 HA VAL 5 7.300 7.044 -10.132 51 HB VAL 5 HB VAL 5 10.094 5.906 -10.292 52 HG11 VAL 5 HG11 VAL 5 9.950 6.866 -12.326 53 HG12 VAL 5 HG12 VAL 5 8.575 7.872 -11.871 54 HG13 VAL 5 HG13 VAL 5 10.210 8.357 -11.421 55 HG21 VAL 5 HG21 VAL 5 10.525 8.357 -9.389 56 HG22 VAL 5 HG22 VAL 5 8.920 8.121 -8.697 57 HG23 VAL 5 HG23 VAL 5 10.226 7.006 -8.295 58 H ILE 6 H ILE 6 6.799 6.733 -12.265 59 HA ILE 6 HA ILE 6 6.617 3.948 -13.129 60 HB ILE 6 HB ILE 6 5.367 6.438 -14.295 61 HG12 ILE 6 HG12 ILE 6 4.172 4.172 -12.683 62 HG13 ILE 6 HG13 ILE 6 4.453 5.810 -12.102 63 HG21 ILE 6 HG21 ILE 6 5.031 3.537 -15.038 64 HG22 ILE 6 HG22 ILE 6 4.014 4.851 -15.628 65 HG23 ILE 6 HG23 ILE 6 5.729 4.813 -16.035 66 HD11 ILE 6 HD11 ILE 6 2.868 6.644 -13.789 67 HD12 ILE 6 HD12 ILE 6 2.546 4.979 -14.274 68 HD13 ILE 6 HD13 ILE 6 2.131 5.520 -12.648 69 H TRP 7 H TRP 7 8.371 6.834 -13.775 70 HA TRP 7 HA TRP 7 9.086 6.551 -16.435 71 HB2 TRP 7 HB2 TRP 7 9.714 8.530 -15.228 72 HB3 TRP 7 HB3 TRP 7 10.686 7.596 -14.094 73 HD1 TRP 7 HD1 TRP 7 13.125 8.236 -14.532 74 HE1 TRP 7 HE1 TRP 7 14.627 8.456 -16.610 75 HE3 TRP 7 HE3 TRP 7 9.618 7.410 -18.160 76 HZ2 TRP 7 HZ2 TRP 7 14.361 8.301 -19.416 77 HZ3 TRP 7 HZ3 TRP 7 10.325 7.464 -20.517 78 HH2 TRP 7 HH2 TRP 7 12.647 7.900 -21.130 79 H LYS 8 H LYS 8 10.316 4.885 -13.599 80 HA LYS 8 HA LYS 8 12.560 3.680 -14.821 81 HB2 LYS 8 HB2 LYS 8 12.430 2.071 -12.912 82 HB3 LYS 8 HB3 LYS 8 12.429 3.761 -12.426 83 HG2 LYS 8 HG2 LYS 8 10.793 2.872 -11.079 84 HG3 LYS 8 HG3 LYS 8 9.848 3.494 -12.434 85 HD2 LYS 8 HD2 LYS 8 9.136 1.451 -12.994 86 HD3 LYS 8 HD3 LYS 8 10.761 0.772 -12.879 87 HE2 LYS 8 HE2 LYS 8 9.101 -0.221 -11.295 88 HE3 LYS 8 HE3 LYS 8 10.540 0.449 -10.526 89 HZ1 LYS 8 HZ1 LYS 8 9.312 2.395 -9.908 90 HZ2 LYS 8 HZ2 LYS 8 7.944 1.872 -10.755 91 HZ3 LYS 8 HZ3 LYS 8 8.458 1.034 -9.378 92 H SER 9 H SER 9 9.172 2.918 -14.820 93 HA SER 9 HA SER 9 9.506 0.216 -15.748 94 HB2 SER 9 HB2 SER 9 7.330 1.876 -14.842 95 HB3 SER 9 HB3 SER 9 6.896 1.092 -16.361 96 HG SER 9 HG SER 9 7.681 -0.101 -13.922 97 H PHE 10 H PHE 10 8.889 3.361 -17.189 98 HA PHE 10 HA PHE 10 8.407 2.308 -19.818 99 HB2 PHE 10 HB2 PHE 10 8.694 5.044 -18.638 100 HB3 PHE 10 HB3 PHE 10 8.817 4.847 -20.383 101 HD1 PHE 10 HD1 PHE 10 6.619 3.361 -17.756 102 HD2 PHE 10 HD2 PHE 10 6.887 5.501 -21.426 103 HE1 PHE 10 HE1 PHE 10 4.164 3.373 -17.925 104 HE2 PHE 10 HE2 PHE 10 4.433 5.518 -21.600 105 HZ PHE 10 HZ PHE 10 3.068 4.454 -19.847 106 H LEU 11 H LEU 11 11.144 3.658 -18.075 107 HA LEU 11 HA LEU 11 12.918 4.117 -20.143 108 HB2 LEU 11 HB2 LEU 11 13.035 4.151 -17.406 109 HB3 LEU 11 HB3 LEU 11 14.139 2.839 -17.814 110 HG LEU 11 HG LEU 11 14.333 5.718 -18.688 111 HD11 LEU 11 HD11 LEU 11 16.496 4.278 -17.266 112 HD12 LEU 11 HD12 LEU 11 16.005 5.970 -17.175 113 HD13 LEU 11 HD13 LEU 11 15.072 4.734 -16.330 114 HD21 LEU 11 HD21 LEU 11 16.607 4.772 -19.565 115 HD22 LEU 11 HD22 LEU 11 15.717 3.252 -19.640 116 HD23 LEU 11 HD23 LEU 11 15.151 4.650 -20.553 Start of MODEL 19 1 H1 LYS 1 H LYS 1 3.760 3.476 0.659 2 HA LYS 1 HA LYS 1 1.555 2.826 -0.748 3 HB2 LYS 1 HB2 LYS 1 2.691 5.478 0.033 4 HB3 LYS 1 HB3 LYS 1 1.253 5.438 -0.978 5 HG2 LYS 1 HG2 LYS 1 0.195 3.967 0.758 6 HG3 LYS 1 HG3 LYS 1 1.589 4.307 1.787 7 HD2 LYS 1 HD2 LYS 1 0.947 6.811 1.139 8 HD3 LYS 1 HD3 LYS 1 -0.647 6.074 0.960 9 HE2 LYS 1 HE2 LYS 1 0.973 5.524 3.408 10 HE3 LYS 1 HE3 LYS 1 0.108 7.053 3.263 11 HZ1 LYS 1 HZ1 LYS 1 -1.213 4.427 2.893 12 HZ2 LYS 1 HZ2 LYS 1 -1.121 5.200 4.396 13 HZ3 LYS 1 HZ3 LYS 1 -1.945 5.937 3.114 14 H PHE 2 H PHE 2 0.595 3.539 -2.744 15 HA PHE 2 HA PHE 2 0.568 3.750 -5.008 16 HB2 PHE 2 HB2 PHE 2 2.644 5.674 -4.120 17 HB3 PHE 2 HB3 PHE 2 2.626 5.275 -5.835 18 HD1 PHE 2 HD1 PHE 2 1.260 6.475 -7.244 19 HD2 PHE 2 HD2 PHE 2 0.321 6.309 -3.095 20 HE1 PHE 2 HE1 PHE 2 -0.574 8.077 -7.598 21 HE2 PHE 2 HE2 PHE 2 -1.514 7.910 -3.443 22 HZ PHE 2 HZ PHE 2 -1.965 8.795 -5.696 23 H LYS 3 H LYS 3 2.107 3.565 -7.047 24 HA LYS 3 HA LYS 3 4.225 1.606 -6.559 25 HB2 LYS 3 HB2 LYS 3 3.311 0.188 -8.421 26 HB3 LYS 3 HB3 LYS 3 2.343 0.190 -6.952 27 HG2 LYS 3 HG2 LYS 3 1.590 2.213 -8.944 28 HG3 LYS 3 HG3 LYS 3 1.349 0.536 -9.438 29 HD2 LYS 3 HD2 LYS 3 -0.314 0.202 -7.946 30 HD3 LYS 3 HD3 LYS 3 0.454 1.200 -6.710 31 HE2 LYS 3 HE2 LYS 3 -1.428 2.435 -7.259 32 HE3 LYS 3 HE3 LYS 3 -0.180 3.175 -8.259 33 HZ1 LYS 3 HZ1 LYS 3 -2.437 2.560 -9.307 34 HZ2 LYS 3 HZ2 LYS 3 -1.018 2.221 -10.165 35 HZ3 LYS 3 HZ3 LYS 3 -1.823 0.984 -9.339 36 H LYS 4 H LYS 4 5.231 3.803 -7.119 37 HA LYS 4 HA LYS 4 5.518 4.003 -10.046 38 HB2 LYS 4 HB2 LYS 4 6.177 6.384 -9.641 39 HB3 LYS 4 HB3 LYS 4 4.504 6.020 -9.241 40 HG2 LYS 4 HG2 LYS 4 5.122 5.862 -6.870 41 HG3 LYS 4 HG3 LYS 4 6.784 6.283 -7.290 42 HD2 LYS 4 HD2 LYS 4 4.708 8.118 -8.297 43 HD3 LYS 4 HD3 LYS 4 4.909 8.081 -6.544 44 HE2 LYS 4 HE2 LYS 4 7.220 8.403 -8.443 45 HE3 LYS 4 HE3 LYS 4 6.308 9.774 -7.816 46 HZ1 LYS 4 HZ1 LYS 4 7.579 9.710 -6.023 47 HZ2 LYS 4 HZ2 LYS 4 6.974 8.176 -5.644 48 HZ3 LYS 4 HZ3 LYS 4 8.379 8.325 -6.575 49 H VAL 5 H VAL 5 7.072 2.146 -9.211 50 HA VAL 5 HA VAL 5 9.594 3.134 -8.187 51 HB VAL 5 HB VAL 5 8.989 0.369 -9.234 52 HG11 VAL 5 HG11 VAL 5 11.326 1.650 -8.124 53 HG12 VAL 5 HG12 VAL 5 10.831 0.265 -7.150 54 HG13 VAL 5 HG13 VAL 5 11.162 0.060 -8.870 55 HG21 VAL 5 HG21 VAL 5 7.384 0.848 -7.511 56 HG22 VAL 5 HG22 VAL 5 8.615 -0.227 -6.848 57 HG23 VAL 5 HG23 VAL 5 8.643 1.493 -6.457 58 H ILE 6 H ILE 6 11.041 4.064 -9.461 59 HA ILE 6 HA ILE 6 12.400 4.509 -11.233 60 HB ILE 6 HB ILE 6 11.483 1.906 -12.446 61 HG12 ILE 6 HG12 ILE 6 13.667 2.398 -10.411 62 HG13 ILE 6 HG13 ILE 6 12.196 1.464 -10.160 63 HG21 ILE 6 HG21 ILE 6 13.387 1.988 -13.759 64 HG22 ILE 6 HG22 ILE 6 12.891 3.680 -13.706 65 HG23 ILE 6 HG23 ILE 6 14.208 3.114 -12.678 66 HD11 ILE 6 HD11 ILE 6 12.947 -0.172 -11.794 67 HD12 ILE 6 HD12 ILE 6 14.412 0.770 -12.073 68 HD13 ILE 6 HD13 ILE 6 14.127 0.027 -10.498 69 H TRP 7 H TRP 7 11.947 6.013 -12.688 70 HA TRP 7 HA TRP 7 9.338 6.128 -13.914 71 HB2 TRP 7 HB2 TRP 7 10.232 8.210 -13.164 72 HB3 TRP 7 HB3 TRP 7 11.748 7.942 -14.019 73 HD1 TRP 7 HD1 TRP 7 11.835 9.738 -15.846 74 HE1 TRP 7 HE1 TRP 7 10.236 10.572 -17.682 75 HE3 TRP 7 HE3 TRP 7 7.692 7.007 -14.616 76 HZ2 TRP 7 HZ2 TRP 7 7.571 10.132 -18.501 77 HZ3 TRP 7 HZ3 TRP 7 5.659 7.272 -15.976 78 HH2 TRP 7 HH2 TRP 7 5.601 8.803 -17.877 79 H LYS 8 H LYS 8 12.691 5.984 -15.110 80 HA LYS 8 HA LYS 8 12.169 5.838 -17.823 81 HB2 LYS 8 HB2 LYS 8 14.363 4.992 -18.094 82 HB3 LYS 8 HB3 LYS 8 14.423 6.023 -16.670 83 HG2 LYS 8 HG2 LYS 8 13.919 3.704 -15.464 84 HG3 LYS 8 HG3 LYS 8 14.727 3.090 -16.909 85 HD2 LYS 8 HD2 LYS 8 15.895 5.299 -15.235 86 HD3 LYS 8 HD3 LYS 8 16.190 3.595 -14.881 87 HE2 LYS 8 HE2 LYS 8 17.914 3.776 -16.293 88 HE3 LYS 8 HE3 LYS 8 16.701 3.743 -17.571 89 HZ1 LYS 8 HZ1 LYS 8 18.459 5.818 -16.898 90 HZ2 LYS 8 HZ2 LYS 8 17.316 5.774 -18.145 91 HZ3 LYS 8 HZ3 LYS 8 16.882 6.363 -16.619 92 H SER 9 H SER 9 11.942 3.346 -15.375 93 HA SER 9 HA SER 9 11.782 1.118 -17.102 94 HB2 SER 9 HB2 SER 9 12.241 0.717 -14.791 95 HB3 SER 9 HB3 SER 9 10.783 1.571 -14.287 96 HG SER 9 HG SER 9 10.209 -0.522 -14.209 97 H PHE 10 H PHE 10 9.382 3.372 -15.874 98 HA PHE 10 HA PHE 10 7.178 1.887 -17.020 99 HB2 PHE 10 HB2 PHE 10 7.428 4.428 -15.446 100 HB3 PHE 10 HB3 PHE 10 5.933 4.069 -16.303 101 HD1 PHE 10 HD1 PHE 10 8.336 2.180 -14.156 102 HD2 PHE 10 HD2 PHE 10 4.286 3.189 -14.987 103 HE1 PHE 10 HE1 PHE 10 7.603 0.772 -12.276 104 HE2 PHE 10 HE2 PHE 10 3.546 1.784 -13.108 105 HZ PHE 10 HZ PHE 10 5.206 0.573 -11.749 106 H LEU 11 H LEU 11 9.074 4.755 -17.746 107 HA LEU 11 HA LEU 11 7.548 5.936 -19.717 108 HB2 LEU 11 HB2 LEU 11 10.045 6.323 -18.694 109 HB3 LEU 11 HB3 LEU 11 10.410 5.805 -20.338 110 HG LEU 11 HG LEU 11 8.598 8.115 -19.650 111 HD11 LEU 11 HD11 LEU 11 11.486 8.139 -20.514 112 HD12 LEU 11 HD12 LEU 11 10.452 9.553 -20.311 113 HD13 LEU 11 HD13 LEU 11 10.881 8.566 -18.913 114 HD21 LEU 11 HD21 LEU 11 9.872 8.050 -22.261 115 HD22 LEU 11 HD22 LEU 11 8.820 6.662 -21.984 116 HD23 LEU 11 HD23 LEU 11 8.179 8.297 -21.832 Start of MODEL 20 1 H1 LYS 1 H LYS 1 1.491 -2.284 -4.141 2 HA LYS 1 HA LYS 1 0.764 -0.188 -2.731 3 HB2 LYS 1 HB2 LYS 1 2.687 -1.398 -1.135 4 HB3 LYS 1 HB3 LYS 1 3.538 -0.038 -1.855 5 HG2 LYS 1 HG2 LYS 1 2.324 1.498 -0.728 6 HG3 LYS 1 HG3 LYS 1 0.855 0.520 -0.756 7 HD2 LYS 1 HD2 LYS 1 1.300 0.197 1.425 8 HD3 LYS 1 HD3 LYS 1 2.467 -0.988 0.831 9 HE2 LYS 1 HE2 LYS 1 4.237 0.288 1.393 10 HE3 LYS 1 HE3 LYS 1 3.437 1.786 0.922 11 HZ1 LYS 1 HZ1 LYS 1 3.953 1.242 3.421 12 HZ2 LYS 1 HZ2 LYS 1 2.543 2.067 2.980 13 HZ3 LYS 1 HZ3 LYS 1 2.482 0.411 3.323 14 H PHE 2 H PHE 2 1.684 1.885 -3.370 15 HA PHE 2 HA PHE 2 2.791 1.738 -6.030 16 HB2 PHE 2 HB2 PHE 2 1.488 3.790 -4.357 17 HB3 PHE 2 HB3 PHE 2 2.707 4.400 -5.471 18 HD1 PHE 2 HD1 PHE 2 1.917 5.139 -7.483 19 HD2 PHE 2 HD2 PHE 2 -0.085 1.920 -5.547 20 HE1 PHE 2 HE1 PHE 2 0.281 5.056 -9.319 21 HE2 PHE 2 HE2 PHE 2 -1.723 1.831 -7.380 22 HZ PHE 2 HZ PHE 2 -1.542 3.400 -9.270 23 H LYS 3 H LYS 3 4.729 2.682 -6.729 24 HA LYS 3 HA LYS 3 6.690 3.226 -4.597 25 HB2 LYS 3 HB2 LYS 3 8.396 2.277 -6.225 26 HB3 LYS 3 HB3 LYS 3 7.306 1.119 -5.476 27 HG2 LYS 3 HG2 LYS 3 6.403 2.220 -8.049 28 HG3 LYS 3 HG3 LYS 3 7.847 1.205 -8.112 29 HD2 LYS 3 HD2 LYS 3 6.723 -0.671 -7.400 30 HD3 LYS 3 HD3 LYS 3 5.489 0.262 -6.549 31 HE2 LYS 3 HE2 LYS 3 4.203 0.488 -8.395 32 HE3 LYS 3 HE3 LYS 3 5.590 0.625 -9.474 33 HZ1 LYS 3 HZ1 LYS 3 5.556 -1.551 -9.906 34 HZ2 LYS 3 HZ2 LYS 3 5.286 -1.983 -8.293 35 HZ3 LYS 3 HZ3 LYS 3 3.985 -1.534 -9.277 36 H LYS 4 H LYS 4 5.406 5.365 -5.429 37 HA LYS 4 HA LYS 4 5.584 7.415 -6.405 38 HB2 LYS 4 HB2 LYS 4 8.457 6.532 -6.269 39 HB3 LYS 4 HB3 LYS 4 8.012 8.108 -6.912 40 HG2 LYS 4 HG2 LYS 4 6.914 7.365 -4.265 41 HG3 LYS 4 HG3 LYS 4 8.639 7.728 -4.362 42 HD2 LYS 4 HD2 LYS 4 7.735 9.804 -5.747 43 HD3 LYS 4 HD3 LYS 4 6.290 9.501 -4.780 44 HE2 LYS 4 HE2 LYS 4 7.685 11.107 -3.648 45 HE3 LYS 4 HE3 LYS 4 7.683 9.596 -2.740 46 HZ1 LYS 4 HZ1 LYS 4 9.888 10.976 -3.532 47 HZ2 LYS 4 HZ2 LYS 4 9.864 9.364 -3.016 48 HZ3 LYS 4 HZ3 LYS 4 9.797 9.725 -4.668 49 H VAL 5 H VAL 5 6.866 8.556 -8.412 50 HA VAL 5 HA VAL 5 6.126 6.903 -10.719 51 HB VAL 5 HB VAL 5 6.595 9.884 -10.562 52 HG11 VAL 5 HG11 VAL 5 5.589 8.152 -12.817 53 HG12 VAL 5 HG12 VAL 5 5.573 9.915 -12.812 54 HG13 VAL 5 HG13 VAL 5 7.108 9.047 -12.770 55 HG21 VAL 5 HG21 VAL 5 4.035 9.769 -11.107 56 HG22 VAL 5 HG22 VAL 5 4.157 8.179 -10.353 57 HG23 VAL 5 HG23 VAL 5 4.603 9.622 -9.443 58 H ILE 6 H ILE 6 7.620 6.102 -12.040 59 HA ILE 6 HA ILE 6 10.194 7.443 -12.327 60 HB ILE 6 HB ILE 6 10.512 4.544 -12.085 61 HG12 ILE 6 HG12 ILE 6 9.724 6.192 -9.676 62 HG13 ILE 6 HG13 ILE 6 8.892 4.775 -10.307 63 HG21 ILE 6 HG21 ILE 6 12.195 6.583 -12.223 64 HG22 ILE 6 HG22 ILE 6 12.027 6.519 -10.468 65 HG23 ILE 6 HG23 ILE 6 12.596 5.103 -11.351 66 HD11 ILE 6 HD11 ILE 6 10.839 3.401 -9.736 67 HD12 ILE 6 HD12 ILE 6 11.632 4.827 -9.065 68 HD13 ILE 6 HD13 ILE 6 10.153 4.211 -8.328 69 H TRP 7 H TRP 7 10.060 7.843 -14.457 70 HA TRP 7 HA TRP 7 8.757 6.314 -16.381 71 HB2 TRP 7 HB2 TRP 7 9.374 8.574 -16.887 72 HB3 TRP 7 HB3 TRP 7 11.082 8.226 -16.632 73 HD1 TRP 7 HD1 TRP 7 12.198 8.442 -18.927 74 HE1 TRP 7 HE1 TRP 7 11.730 7.546 -21.294 75 HE3 TRP 7 HE3 TRP 7 7.696 6.179 -18.062 76 HZ2 TRP 7 HZ2 TRP 7 9.718 6.074 -22.619 77 HZ3 TRP 7 HZ3 TRP 7 6.566 5.049 -19.932 78 HH2 TRP 7 HH2 TRP 7 7.557 4.999 -22.163 79 H LYS 8 H LYS 8 12.023 6.072 -15.118 80 HA LYS 8 HA LYS 8 13.194 4.422 -17.012 81 HB2 LYS 8 HB2 LYS 8 13.589 4.312 -14.016 82 HB3 LYS 8 HB3 LYS 8 14.696 3.680 -15.227 83 HG2 LYS 8 HG2 LYS 8 15.740 5.634 -15.101 84 HG3 LYS 8 HG3 LYS 8 14.365 6.313 -15.977 85 HD2 LYS 8 HD2 LYS 8 13.306 6.984 -13.953 86 HD3 LYS 8 HD3 LYS 8 14.457 6.071 -12.975 87 HE2 LYS 8 HE2 LYS 8 15.965 7.724 -13.018 88 HE3 LYS 8 HE3 LYS 8 15.731 8.009 -14.742 89 HZ1 LYS 8 HZ1 LYS 8 15.087 9.841 -13.078 90 HZ2 LYS 8 HZ2 LYS 8 14.028 9.497 -14.352 91 HZ3 LYS 8 HZ3 LYS 8 13.704 8.906 -12.800 92 H SER 9 H SER 9 11.134 3.566 -14.266 93 HA SER 9 HA SER 9 11.328 0.743 -14.765 94 HB2 SER 9 HB2 SER 9 9.497 2.358 -12.978 95 HB3 SER 9 HB3 SER 9 9.510 0.595 -13.040 96 HG SER 9 HG SER 9 11.095 2.201 -11.642 97 H PHE 10 H PHE 10 9.082 3.321 -15.555 98 HA PHE 10 HA PHE 10 6.893 1.828 -16.397 99 HB2 PHE 10 HB2 PHE 10 7.937 4.544 -16.948 100 HB3 PHE 10 HB3 PHE 10 6.786 3.906 -18.117 101 HD1 PHE 10 HD1 PHE 10 7.126 3.924 -14.397 102 HD2 PHE 10 HD2 PHE 10 4.633 4.591 -17.782 103 HE1 PHE 10 HE1 PHE 10 5.272 4.547 -12.904 104 HE2 PHE 10 HE2 PHE 10 2.776 5.217 -16.295 105 HZ PHE 10 HZ PHE 10 3.093 5.196 -13.853 106 H LEU 11 H LEU 11 9.959 2.385 -17.935 107 HA LEU 11 HA LEU 11 9.443 1.899 -20.587 108 HB2 LEU 11 HB2 LEU 11 11.726 1.656 -18.810 109 HB3 LEU 11 HB3 LEU 11 11.771 0.476 -20.118 110 HG LEU 11 HG LEU 11 13.003 2.648 -20.514 111 HD11 LEU 11 HD11 LEU 11 12.229 1.032 -22.278 112 HD12 LEU 11 HD12 LEU 11 10.829 2.078 -22.514 113 HD13 LEU 11 HD13 LEU 11 12.452 2.696 -22.817 114 HD21 LEU 11 HD21 LEU 11 11.760 4.601 -21.094 115 HD22 LEU 11 HD22 LEU 11 10.227 3.745 -20.927 116 HD23 LEU 11 HD23 LEU 11 11.214 4.073 -19.502
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