NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575278 | 2mns | 19902 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA2 ACE 0 0.364 -6.934 -1.554 2 H2 ACE 0 HA3 ACE 0 1.089 -8.525 -1.327 3 H3 ACE 0 HA1 ACE 0 1.963 -7.278 -2.215 4 H LEU 1 HN LEU 1 3.228 -8.511 -0.146 5 HA LEU 1 HA LEU 1 2.924 -7.327 2.395 6 HB2 LEU 1 HB2 LEU 1 5.301 -8.601 1.040 7 HB3 LEU 1 HB1 LEU 1 5.310 -8.091 2.726 8 HG LEU 1 HG LEU 1 3.273 -10.009 1.557 9 HD11 LEU 1 HD11 LEU 1 4.580 -11.801 2.599 10 HD12 LEU 1 HD12 LEU 1 5.768 -10.628 3.168 11 HD13 LEU 1 HD13 LEU 1 5.579 -10.925 1.440 12 HD21 LEU 1 HD21 LEU 1 3.244 -10.576 4.161 13 HD22 LEU 1 HD22 LEU 1 2.302 -9.231 3.532 14 HD23 LEU 1 HD23 LEU 1 3.854 -8.928 4.310 15 H GLY 2 HN GLY 2 4.906 -6.447 -0.403 16 HA2 GLY 2 HA2 GLY 2 6.318 -4.325 0.837 17 HA3 GLY 2 HA1 GLY 2 6.105 -4.551 -0.899 18 H LEU 3 HN LEU 3 3.304 -4.520 -0.989 19 HA LEU 3 HA LEU 3 2.828 -1.749 -1.127 20 HB2 LEU 3 HB2 LEU 3 0.891 -4.063 -1.211 21 HB3 LEU 3 HB1 LEU 3 0.474 -2.393 -1.595 22 HG LEU 3 HG LEU 3 2.623 -3.999 -3.010 23 HD11 LEU 3 HD11 LEU 3 0.963 -3.939 -4.914 24 HD12 LEU 3 HD12 LEU 3 -0.237 -3.349 -3.764 25 HD13 LEU 3 HD13 LEU 3 0.478 -4.948 -3.551 26 HD21 LEU 3 HD21 LEU 3 3.258 -1.788 -3.389 27 HD22 LEU 3 HD22 LEU 3 1.612 -1.172 -3.235 28 HD23 LEU 3 HD23 LEU 3 2.111 -2.000 -4.709 29 H LEU 4 HN LEU 4 1.989 -4.204 1.255 30 HA LEU 4 HA LEU 4 0.275 -2.611 2.844 31 HB2 LEU 4 HB2 LEU 4 1.953 -5.050 3.395 32 HB3 LEU 4 HB1 LEU 4 1.035 -4.277 4.683 33 HG LEU 4 HG LEU 4 -0.212 -5.140 2.056 34 HD11 LEU 4 HD11 LEU 4 -0.006 -6.645 4.682 35 HD12 LEU 4 HD12 LEU 4 0.708 -7.118 3.141 36 HD13 LEU 4 HD13 LEU 4 -1.045 -7.119 3.337 37 HD21 LEU 4 HD21 LEU 4 -2.251 -5.200 3.763 38 HD22 LEU 4 HD22 LEU 4 -1.744 -3.674 3.053 39 HD23 LEU 4 HD23 LEU 4 -1.246 -4.090 4.691 40 H SER 5 HN SER 5 3.774 -3.122 2.894 41 HA SER 5 HA SER 5 4.174 -1.457 5.219 42 HB2 SER 5 HB2 SER 5 6.546 -1.828 4.814 43 HB3 SER 5 HB1 SER 5 5.678 -3.353 4.661 44 HG SER 5 HG SER 5 5.570 -2.425 2.297 45 H TYR 6 HN TYR 6 3.364 -0.754 2.116 46 HA TYR 6 HA TYR 6 5.074 1.323 1.319 47 HB2 TYR 6 HB2 TYR 6 3.192 0.188 0.025 48 HB3 TYR 6 HB1 TYR 6 2.090 1.270 0.862 49 HD1 TYR 6 HD2 TYR 6 2.622 3.827 0.719 50 HD2 TYR 6 HD1 TYR 6 4.272 0.871 -1.929 51 HE1 TYR 6 HE2 TYR 6 3.130 5.593 -0.946 52 HE2 TYR 6 HE1 TYR 6 4.769 2.628 -3.589 53 HH TYR 6 HH TYR 6 3.430 5.520 -3.668 54 H GLY 7 HN GLY 7 2.110 1.379 3.277 55 HA2 GLY 7 HA2 GLY 7 2.411 2.992 5.266 56 HA3 GLY 7 HA1 GLY 7 2.628 4.204 4.006 57 H ALA 8 HN ALA 8 0.401 1.498 3.729 58 HA ALA 8 HA ALA 8 -1.791 3.251 3.147 59 HB1 ALA 8 HB1 ALA 8 -3.114 1.114 3.122 60 HB2 ALA 8 HB2 ALA 8 -1.645 0.264 3.603 61 HB3 ALA 8 HB3 ALA 8 -1.710 1.105 2.054 62 H GLY 9 HN GLY 9 -0.412 2.091 6.013 63 HA2 GLY 9 HA2 GLY 9 -1.751 3.467 7.868 64 HA3 GLY 9 HA1 GLY 9 -2.873 2.141 7.581 65 H VAL 10 HN VAL 10 0.660 1.987 7.499 66 HA VAL 10 HA VAL 10 0.799 -0.366 9.047 67 HB VAL 10 HB VAL 10 2.902 1.725 8.475 68 HG11 VAL 10 HG11 VAL 10 3.061 -1.043 9.683 69 HG12 VAL 10 HG12 VAL 10 3.667 0.469 10.360 70 HG13 VAL 10 HG13 VAL 10 4.454 -0.247 8.953 71 HG21 VAL 10 HG21 VAL 10 1.818 0.518 6.524 72 HG22 VAL 10 HG22 VAL 10 2.451 -0.984 7.198 73 HG23 VAL 10 HG23 VAL 10 3.560 0.279 6.664 74 H ALA 11 HN ALA 11 1.359 3.044 9.908 75 HA ALA 11 HA ALA 11 1.588 2.318 12.753 76 HB1 ALA 11 HB1 ALA 11 3.262 3.868 12.044 77 HB2 ALA 11 HB2 ALA 11 2.094 4.790 12.990 78 HB3 ALA 11 HB3 ALA 11 2.071 4.881 11.229 79 H SER 12 HN SER 12 -0.755 3.177 10.529 80 HA SER 12 HA SER 12 -2.399 4.768 12.333 81 HB2 SER 12 HB2 SER 12 -3.826 5.091 10.500 82 HB3 SER 12 HB1 SER 12 -2.229 5.007 9.762 83 HG SER 12 HG SER 12 -4.371 3.326 9.534 84 H LEU 13 HN LEU 13 -1.737 1.516 12.004 85 HA LEU 13 HA LEU 13 -4.465 0.698 12.812 86 HB2 LEU 13 HB2 LEU 13 -2.497 -0.466 11.043 87 HB3 LEU 13 HB1 LEU 13 -2.811 -1.601 12.353 88 HG LEU 13 HG LEU 13 -5.059 -0.277 10.808 89 HD11 LEU 13 HD11 LEU 13 -3.666 -2.912 10.242 90 HD12 LEU 13 HD12 LEU 13 -3.660 -1.489 9.200 91 HD13 LEU 13 HD13 LEU 13 -5.162 -2.371 9.479 92 HD21 LEU 13 HD21 LEU 13 -4.899 -2.867 12.387 93 HD22 LEU 13 HD22 LEU 13 -6.351 -2.157 11.684 94 HD23 LEU 13 HD23 LEU 13 -5.539 -1.352 13.025 95 HA PRO 14 HA PRO 14 -1.484 -1.398 16.088 96 HB2 PRO 14 HB2 PRO 14 0.710 0.641 16.027 97 HB3 PRO 14 HB1 PRO 14 0.810 -1.114 16.265 98 HG2 PRO 14 HG2 PRO 14 1.527 0.016 13.958 99 HG3 PRO 14 HG1 PRO 14 0.715 -1.561 14.004 100 HD2 PRO 14 HD2 PRO 14 -0.408 1.113 13.249 101 HD3 PRO 14 HD1 PRO 14 -0.789 -0.496 12.609 102 H LEU 15 HN LEU 15 -1.094 2.149 15.785 103 HA LEU 15 HA LEU 15 -1.513 2.721 18.523 104 HB2 LEU 15 HB2 LEU 15 -1.854 4.417 16.043 105 HB3 LEU 15 HB1 LEU 15 -1.988 5.052 17.680 106 HG LEU 15 HG LEU 15 0.451 3.573 16.647 107 HD11 LEU 15 HD11 LEU 15 -0.061 6.557 16.853 108 HD12 LEU 15 HD12 LEU 15 0.120 5.634 15.360 109 HD13 LEU 15 HD13 LEU 15 1.491 5.817 16.455 110 HD21 LEU 15 HD21 LEU 15 0.598 3.495 18.985 111 HD22 LEU 15 HD22 LEU 15 -0.246 5.027 19.198 112 HD23 LEU 15 HD23 LEU 15 1.426 5.011 18.647 113 H LEU 16 HN LEU 16 -3.687 2.637 15.739 114 HA LEU 16 HA LEU 16 -5.998 3.559 17.077 115 HB2 LEU 16 HB2 LEU 16 -5.511 1.981 14.564 116 HB3 LEU 16 HB1 LEU 16 -7.156 2.202 15.148 117 HG LEU 16 HG LEU 16 -6.358 3.933 13.468 118 HD11 LEU 16 HD11 LEU 16 -7.617 5.628 14.429 119 HD12 LEU 16 HD12 LEU 16 -6.960 5.368 16.041 120 HD13 LEU 16 HD13 LEU 16 -8.158 4.254 15.386 121 HD21 LEU 16 HD21 LEU 16 -4.769 5.067 15.775 122 HD22 LEU 16 HD22 LEU 16 -4.737 5.553 14.081 123 HD23 LEU 16 HD23 LEU 16 -4.031 4.014 14.569 124 H ASN 17 HN ASN 17 -4.665 0.313 16.609 125 HA ASN 17 HA ASN 17 -6.845 -1.139 17.642 126 HB2 ASN 17 HB2 ASN 17 -5.035 -2.222 16.414 127 HB3 ASN 17 HB1 ASN 17 -3.892 -1.801 17.689 128 HD21 ASN 17 HD21 ASN 17 -6.191 -4.162 16.672 129 HD22 ASN 17 HD22 ASN 17 -6.196 -5.087 18.096 130 H VAL 18 HN VAL 18 -4.013 0.285 19.246 131 HA VAL 18 HA VAL 18 -4.530 -0.774 21.821 132 HB VAL 18 HB VAL 18 -3.056 1.722 20.947 133 HG11 VAL 18 HG11 VAL 18 -3.388 0.435 23.665 134 HG12 VAL 18 HG12 VAL 18 -3.670 2.117 23.219 135 HG13 VAL 18 HG13 VAL 18 -2.024 1.487 23.283 136 HG21 VAL 18 HG21 VAL 18 -2.061 -0.391 20.191 137 HG22 VAL 18 HG22 VAL 18 -2.145 -1.037 21.829 138 HG23 VAL 18 HG23 VAL 18 -1.072 0.315 21.467 139 H ILE 19 HN ILE 19 -5.414 2.299 20.281 140 HA ILE 19 HA ILE 19 -6.794 3.390 22.501 141 HB ILE 19 HB ILE 19 -7.061 3.903 19.528 142 HG12 ILE 19 HG12 ILE 19 -5.776 5.572 21.706 143 HG13 ILE 19 HG11 ILE 19 -4.877 4.415 20.723 144 HG21 ILE 19 HG21 ILE 19 -8.115 6.081 20.380 145 HG22 ILE 19 HG22 ILE 19 -8.310 5.259 21.929 146 HG23 ILE 19 HG23 ILE 19 -9.120 4.636 20.492 147 HD11 ILE 19 HD11 ILE 19 -6.409 6.833 19.727 148 HD12 ILE 19 HD12 ILE 19 -5.688 5.616 18.674 149 HD13 ILE 19 HD13 ILE 19 -4.660 6.609 19.708 150 H ALA 20 HN ALA 20 -7.839 1.472 19.717 151 HA ALA 20 HA ALA 20 -10.612 1.486 20.380 152 HB1 ALA 20 HB1 ALA 20 -10.865 -0.141 18.655 153 HB2 ALA 20 HB2 ALA 20 -9.176 -0.635 18.779 154 HB3 ALA 20 HB3 ALA 20 -9.587 0.947 18.116 155 HN1 NH2 21 H2 NH2 21 -9.093 -2.011 21.919 156 HN2 NH2 21 H1 NH2 21 -8.347 -1.327 20.556 Start of MODEL 2 1 H1 ACE 0 HA2 ACE 0 8.568 -4.170 -1.474 2 H2 ACE 0 HA3 ACE 0 8.639 -5.202 -0.045 3 H3 ACE 0 HA1 ACE 0 7.429 -3.923 -0.150 4 H LEU 1 HN LEU 1 6.472 -6.334 0.432 5 HA LEU 1 HA LEU 1 5.858 -8.052 -1.719 6 HB2 LEU 1 HB2 LEU 1 4.456 -7.515 0.905 7 HB3 LEU 1 HB1 LEU 1 3.956 -8.783 -0.209 8 HG LEU 1 HG LEU 1 6.792 -8.570 0.839 9 HD11 LEU 1 HD11 LEU 1 5.302 -8.801 2.763 10 HD12 LEU 1 HD12 LEU 1 6.142 -10.325 2.479 11 HD13 LEU 1 HD13 LEU 1 4.460 -10.141 1.982 12 HD21 LEU 1 HD21 LEU 1 5.170 -10.680 -0.607 13 HD22 LEU 1 HD22 LEU 1 6.587 -11.126 0.339 14 HD23 LEU 1 HD23 LEU 1 6.755 -10.034 -1.029 15 H GLY 2 HN GLY 2 4.165 -5.252 -0.361 16 HA2 GLY 2 HA2 GLY 2 3.110 -4.029 -2.453 17 HA3 GLY 2 HA1 GLY 2 2.067 -5.448 -2.405 18 H LEU 3 HN LEU 3 2.267 -5.580 0.557 19 HA LEU 3 HA LEU 3 0.174 -3.597 1.137 20 HB2 LEU 3 HB2 LEU 3 1.122 -6.059 2.615 21 HB3 LEU 3 HB1 LEU 3 -0.136 -4.979 3.211 22 HG LEU 3 HG LEU 3 -0.245 -6.376 0.519 23 HD11 LEU 3 HD11 LEU 3 -0.242 -7.995 2.392 24 HD12 LEU 3 HD12 LEU 3 -1.811 -7.942 1.587 25 HD13 LEU 3 HD13 LEU 3 -1.585 -7.127 3.136 26 HD21 LEU 3 HD21 LEU 3 -2.793 -5.844 1.022 27 HD22 LEU 3 HD22 LEU 3 -1.754 -4.584 0.368 28 HD23 LEU 3 HD23 LEU 3 -2.126 -4.612 2.092 29 H LEU 4 HN LEU 4 3.510 -4.141 1.702 30 HA LEU 4 HA LEU 4 3.791 -2.977 4.257 31 HB2 LEU 4 HB2 LEU 4 5.693 -3.128 1.913 32 HB3 LEU 4 HB1 LEU 4 6.155 -2.514 3.498 33 HG LEU 4 HG LEU 4 4.941 -5.256 3.054 34 HD11 LEU 4 HD11 LEU 4 7.861 -4.488 3.352 35 HD12 LEU 4 HD12 LEU 4 7.098 -5.072 1.873 36 HD13 LEU 4 HD13 LEU 4 7.234 -6.132 3.277 37 HD21 LEU 4 HD21 LEU 4 6.101 -3.784 5.420 38 HD22 LEU 4 HD22 LEU 4 6.261 -5.538 5.340 39 HD23 LEU 4 HD23 LEU 4 4.664 -4.801 5.332 40 H SER 5 HN SER 5 3.899 -1.526 1.007 41 HA SER 5 HA SER 5 4.491 1.106 1.864 42 HB2 SER 5 HB2 SER 5 4.778 0.659 -0.447 43 HB3 SER 5 HB1 SER 5 3.155 -0.009 -0.601 44 HG SER 5 HG SER 5 3.894 2.448 -1.048 45 H TYR 6 HN TYR 6 1.431 -0.532 1.155 46 HA TYR 6 HA TYR 6 -0.265 1.655 1.751 47 HB2 TYR 6 HB2 TYR 6 -1.114 -0.164 0.442 48 HB3 TYR 6 HB1 TYR 6 -0.736 -1.332 1.703 49 HD1 TYR 6 HD1 TYR 6 -2.679 1.854 1.233 50 HD2 TYR 6 HD2 TYR 6 -2.458 -1.993 3.140 51 HE1 TYR 6 HE1 TYR 6 -4.924 2.213 2.227 52 HE2 TYR 6 HE2 TYR 6 -4.702 -1.631 4.129 53 HH TYR 6 HH TYR 6 -6.143 0.349 4.735 54 H GLY 7 HN GLY 7 0.858 -1.089 3.708 55 HA2 GLY 7 HA2 GLY 7 -0.455 -0.005 6.095 56 HA3 GLY 7 HA1 GLY 7 0.334 -1.572 5.955 57 H ALA 8 HN ALA 8 2.101 1.072 4.670 58 HA ALA 8 HA ALA 8 4.310 0.694 6.376 59 HB1 ALA 8 HB1 ALA 8 5.148 2.826 5.407 60 HB2 ALA 8 HB2 ALA 8 3.573 3.070 4.654 61 HB3 ALA 8 HB3 ALA 8 4.576 1.701 4.178 62 H GLY 9 HN GLY 9 2.949 0.741 8.418 63 HA2 GLY 9 HA2 GLY 9 2.785 1.769 10.485 64 HA3 GLY 9 HA1 GLY 9 3.437 3.235 9.766 65 H VAL 10 HN VAL 10 1.147 2.582 7.687 66 HA VAL 10 HA VAL 10 -0.636 4.594 8.567 67 HB VAL 10 HB VAL 10 -1.106 2.410 6.541 68 HG11 VAL 10 HG11 VAL 10 -2.476 5.029 7.145 69 HG12 VAL 10 HG12 VAL 10 -3.195 3.421 7.033 70 HG13 VAL 10 HG13 VAL 10 -2.626 4.235 5.576 71 HG21 VAL 10 HG21 VAL 10 -0.309 4.049 4.896 72 HG22 VAL 10 HG22 VAL 10 0.944 3.746 6.100 73 HG23 VAL 10 HG23 VAL 10 -0.022 5.220 6.184 74 H ALA 11 HN ALA 11 -0.897 1.047 8.524 75 HA ALA 11 HA ALA 11 -3.465 1.101 9.888 76 HB1 ALA 11 HB1 ALA 11 -3.364 -1.326 9.712 77 HB2 ALA 11 HB2 ALA 11 -1.679 -1.241 9.192 78 HB3 ALA 11 HB3 ALA 11 -2.956 -0.600 8.156 79 H SER 12 HN SER 12 -0.208 1.202 10.781 80 HA SER 12 HA SER 12 -0.411 -0.296 13.233 81 HB2 SER 12 HB2 SER 12 1.710 1.733 12.556 82 HB3 SER 12 HB1 SER 12 1.833 0.344 13.631 83 HG SER 12 HG SER 12 1.791 -1.000 11.892 84 H LEU 13 HN LEU 13 -1.676 2.641 12.345 85 HA LEU 13 HA LEU 13 -1.370 3.784 15.061 86 HB2 LEU 13 HB2 LEU 13 -1.317 4.951 12.392 87 HB3 LEU 13 HB1 LEU 13 -2.559 5.731 13.372 88 HG LEU 13 HG LEU 13 -0.771 6.004 15.182 89 HD11 LEU 13 HD11 LEU 13 0.734 4.242 14.141 90 HD12 LEU 13 HD12 LEU 13 1.537 5.760 14.545 91 HD13 LEU 13 HD13 LEU 13 1.098 5.414 12.873 92 HD21 LEU 13 HD21 LEU 13 -0.327 7.326 12.486 93 HD22 LEU 13 HD22 LEU 13 0.257 7.942 14.032 94 HD23 LEU 13 HD23 LEU 13 -1.476 7.856 13.715 95 HA PRO 14 HA PRO 14 -6.166 4.166 14.149 96 HB2 PRO 14 HB2 PRO 14 -6.446 1.913 12.192 97 HB3 PRO 14 HB1 PRO 14 -7.305 3.463 12.258 98 HG2 PRO 14 HG2 PRO 14 -5.402 3.022 10.454 99 HG3 PRO 14 HG1 PRO 14 -5.592 4.609 11.224 100 HD2 PRO 14 HD2 PRO 14 -3.524 2.499 11.749 101 HD3 PRO 14 HD1 PRO 14 -3.380 4.264 11.770 102 H LEU 15 HN LEU 15 -4.839 0.877 13.655 103 HA LEU 15 HA LEU 15 -6.734 -0.467 15.244 104 HB2 LEU 15 HB2 LEU 15 -3.896 -1.192 14.501 105 HB3 LEU 15 HB1 LEU 15 -5.006 -2.296 15.306 106 HG LEU 15 HG LEU 15 -5.653 -0.924 12.683 107 HD11 LEU 15 HD11 LEU 15 -5.010 -3.020 11.577 108 HD12 LEU 15 HD12 LEU 15 -4.518 -3.702 13.127 109 HD13 LEU 15 HD13 LEU 15 -3.633 -2.339 12.442 110 HD21 LEU 15 HD21 LEU 15 -6.914 -3.128 14.324 111 HD22 LEU 15 HD22 LEU 15 -7.158 -3.078 12.580 112 HD23 LEU 15 HD23 LEU 15 -7.683 -1.728 13.578 113 H LEU 16 HN LEU 16 -3.532 0.826 16.061 114 HA LEU 16 HA LEU 16 -3.492 -0.142 18.718 115 HB2 LEU 16 HB2 LEU 16 -2.025 2.034 17.250 116 HB3 LEU 16 HB1 LEU 16 -1.846 1.883 18.999 117 HG LEU 16 HG LEU 16 -1.161 -0.471 18.734 118 HD11 LEU 16 HD11 LEU 16 -2.318 -1.166 16.779 119 HD12 LEU 16 HD12 LEU 16 -0.613 -1.190 16.329 120 HD13 LEU 16 HD13 LEU 16 -1.643 0.146 15.816 121 HD21 LEU 16 HD21 LEU 16 0.974 0.053 17.301 122 HD22 LEU 16 HD22 LEU 16 0.708 0.953 18.793 123 HD23 LEU 16 HD23 LEU 16 0.325 1.693 17.240 124 H ASN 17 HN ASN 17 -4.703 2.861 17.298 125 HA ASN 17 HA ASN 17 -5.258 4.224 19.700 126 HB2 ASN 17 HB2 ASN 17 -5.265 5.347 17.527 127 HB3 ASN 17 HB1 ASN 17 -6.661 4.397 17.022 128 HD21 ASN 17 HD21 ASN 17 -5.647 6.715 19.588 129 HD22 ASN 17 HD22 ASN 17 -7.194 7.385 19.794 130 H VAL 18 HN VAL 18 -7.219 1.994 17.752 131 HA VAL 18 HA VAL 18 -9.591 2.217 19.302 132 HB VAL 18 HB VAL 18 -8.572 -0.028 17.544 133 HG11 VAL 18 HG11 VAL 18 -10.195 -1.029 18.961 134 HG12 VAL 18 HG12 VAL 18 -11.094 -0.584 17.511 135 HG13 VAL 18 HG13 VAL 18 -11.206 0.416 18.959 136 HG21 VAL 18 HG21 VAL 18 -10.013 0.931 15.859 137 HG22 VAL 18 HG22 VAL 18 -9.009 2.232 16.496 138 HG23 VAL 18 HG23 VAL 18 -10.686 2.081 17.014 139 H ILE 19 HN ILE 19 -6.876 -0.057 19.354 140 HA ILE 19 HA ILE 19 -7.822 -1.689 21.462 141 HB ILE 19 HB ILE 19 -5.032 -1.127 20.438 142 HG12 ILE 19 HG12 ILE 19 -6.793 -3.568 20.113 143 HG13 ILE 19 HG11 ILE 19 -6.769 -2.240 18.951 144 HG21 ILE 19 HG21 ILE 19 -4.584 -3.385 21.635 145 HG22 ILE 19 HG22 ILE 19 -6.041 -3.026 22.561 146 HG23 ILE 19 HG23 ILE 19 -4.660 -1.933 22.633 147 HD11 ILE 19 HD11 ILE 19 -4.377 -2.572 18.570 148 HD12 ILE 19 HD12 ILE 19 -5.230 -4.090 18.302 149 HD13 ILE 19 HD13 ILE 19 -4.333 -3.837 19.798 150 H ALA 20 HN ALA 20 -5.708 1.152 21.392 151 HA ALA 20 HA ALA 20 -5.412 1.161 24.289 152 HB1 ALA 20 HB1 ALA 20 -3.635 1.885 22.576 153 HB2 ALA 20 HB2 ALA 20 -3.878 2.924 23.980 154 HB3 ALA 20 HB3 ALA 20 -4.572 3.371 22.420 155 HN1 NH2 21 H2 NH2 21 -8.404 3.578 23.081 156 HN2 NH2 21 H1 NH2 21 -7.673 2.468 22.028 Start of MODEL 3 1 H1 ACE 0 HA2 ACE 0 7.273 -6.728 1.420 2 H2 ACE 0 HA3 ACE 0 8.077 -7.762 0.238 3 H3 ACE 0 HA1 ACE 0 7.590 -8.421 1.798 4 H LEU 1 HN LEU 1 5.218 -8.323 2.270 5 HA LEU 1 HA LEU 1 3.738 -9.612 0.241 6 HB2 LEU 1 HB2 LEU 1 2.885 -8.283 2.819 7 HB3 LEU 1 HB1 LEU 1 1.786 -9.202 1.793 8 HG LEU 1 HG LEU 1 4.372 -10.332 2.903 9 HD11 LEU 1 HD11 LEU 1 1.548 -10.642 3.966 10 HD12 LEU 1 HD12 LEU 1 2.824 -9.692 4.729 11 HD13 LEU 1 HD13 LEU 1 2.984 -11.444 4.600 12 HD21 LEU 1 HD21 LEU 1 2.914 -12.498 2.468 13 HD22 LEU 1 HD22 LEU 1 3.756 -11.734 1.126 14 HD23 LEU 1 HD23 LEU 1 2.030 -11.451 1.358 15 H GLY 2 HN GLY 2 3.804 -6.278 1.402 16 HA2 GLY 2 HA2 GLY 2 3.497 -4.539 -0.358 17 HA3 GLY 2 HA1 GLY 2 2.096 -5.466 -0.891 18 H LEU 3 HN LEU 3 1.816 -6.026 2.145 19 HA LEU 3 HA LEU 3 -0.280 -4.191 2.642 20 HB2 LEU 3 HB2 LEU 3 1.242 -5.838 4.672 21 HB3 LEU 3 HB1 LEU 3 -0.399 -5.207 4.828 22 HG LEU 3 HG LEU 3 0.505 -7.205 2.730 23 HD11 LEU 3 HD11 LEU 3 -0.766 -8.843 4.025 24 HD12 LEU 3 HD12 LEU 3 -1.226 -7.604 5.191 25 HD13 LEU 3 HD13 LEU 3 0.457 -8.106 5.060 26 HD21 LEU 3 HD21 LEU 3 -1.331 -6.071 1.784 27 HD22 LEU 3 HD22 LEU 3 -2.117 -5.832 3.346 28 HD23 LEU 3 HD23 LEU 3 -2.107 -7.429 2.597 29 H LEU 4 HN LEU 4 3.105 -4.282 3.618 30 HA LEU 4 HA LEU 4 3.035 -2.199 5.508 31 HB2 LEU 4 HB2 LEU 4 5.252 -3.214 3.727 32 HB3 LEU 4 HB1 LEU 4 5.500 -1.994 4.973 33 HG LEU 4 HG LEU 4 4.300 -4.731 5.499 34 HD11 LEU 4 HD11 LEU 4 6.656 -4.861 4.701 35 HD12 LEU 4 HD12 LEU 4 6.489 -5.362 6.383 36 HD13 LEU 4 HD13 LEU 4 7.132 -3.766 5.999 37 HD21 LEU 4 HD21 LEU 4 5.014 -2.352 7.203 38 HD22 LEU 4 HD22 LEU 4 5.233 -3.961 7.888 39 HD23 LEU 4 HD23 LEU 4 3.644 -3.452 7.333 40 H SER 5 HN SER 5 3.453 -2.147 1.988 41 HA SER 5 HA SER 5 4.205 0.537 1.711 42 HB2 SER 5 HB2 SER 5 2.507 -1.156 -0.137 43 HB3 SER 5 HB1 SER 5 3.274 0.367 -0.575 44 HG SER 5 HG SER 5 4.347 -1.917 -0.838 45 H TYR 6 HN TYR 6 0.966 -0.940 1.837 46 HA TYR 6 HA TYR 6 -0.436 1.535 1.560 47 HB2 TYR 6 HB2 TYR 6 -1.329 -1.137 2.671 48 HB3 TYR 6 HB1 TYR 6 -2.402 0.226 2.347 49 HD1 TYR 6 HD1 TYR 6 -2.369 1.218 -0.049 50 HD2 TYR 6 HD2 TYR 6 -0.802 -2.656 0.945 51 HE1 TYR 6 HE1 TYR 6 -2.524 0.542 -2.431 52 HE2 TYR 6 HE2 TYR 6 -0.954 -3.330 -1.437 53 HH TYR 6 HH TYR 6 -1.534 -1.075 -3.949 54 H GLY 7 HN GLY 7 0.618 -0.434 4.294 55 HA2 GLY 7 HA2 GLY 7 -0.355 1.605 6.203 56 HA3 GLY 7 HA1 GLY 7 0.076 -0.055 6.599 57 H ALA 8 HN ALA 8 1.976 2.057 4.543 58 HA ALA 8 HA ALA 8 4.408 1.524 5.823 59 HB1 ALA 8 HB1 ALA 8 5.232 3.547 4.577 60 HB2 ALA 8 HB2 ALA 8 3.570 3.834 4.062 61 HB3 ALA 8 HB3 ALA 8 4.405 2.359 3.570 62 H GLY 9 HN GLY 9 1.967 3.977 6.454 63 HA2 GLY 9 HA2 GLY 9 3.268 4.614 8.985 64 HA3 GLY 9 HA1 GLY 9 3.172 5.947 7.837 65 H VAL 10 HN VAL 10 0.637 5.043 6.708 66 HA VAL 10 HA VAL 10 -1.136 6.461 8.366 67 HB VAL 10 HB VAL 10 -2.881 5.609 6.847 68 HG11 VAL 10 HG11 VAL 10 -1.309 7.508 6.247 69 HG12 VAL 10 HG12 VAL 10 -2.054 6.693 4.872 70 HG13 VAL 10 HG13 VAL 10 -0.383 6.336 5.308 71 HG21 VAL 10 HG21 VAL 10 -2.132 3.336 6.499 72 HG22 VAL 10 HG22 VAL 10 -0.609 3.898 5.811 73 HG23 VAL 10 HG23 VAL 10 -2.117 4.151 4.937 74 H ALA 11 HN ALA 11 -0.556 2.990 7.948 75 HA ALA 11 HA ALA 11 -2.673 2.221 9.749 76 HB1 ALA 11 HB1 ALA 11 -1.800 0.792 7.863 77 HB2 ALA 11 HB2 ALA 11 -1.889 -0.022 9.425 78 HB3 ALA 11 HB3 ALA 11 -0.336 0.551 8.817 79 H SER 12 HN SER 12 -0.442 4.069 10.637 80 HA SER 12 HA SER 12 0.684 2.474 12.864 81 HB2 SER 12 HB2 SER 12 1.518 5.248 12.025 82 HB3 SER 12 HB1 SER 12 2.394 4.110 13.041 83 HG SER 12 HG SER 12 3.300 3.819 11.102 84 H LEU 13 HN LEU 13 -2.074 3.396 12.842 85 HA LEU 13 HA LEU 13 -2.102 4.597 15.432 86 HB2 LEU 13 HB2 LEU 13 -1.991 6.442 13.336 87 HB3 LEU 13 HB1 LEU 13 -3.707 6.376 13.716 88 HG LEU 13 HG LEU 13 -2.985 6.635 16.191 89 HD11 LEU 13 HD11 LEU 13 -0.623 6.275 16.067 90 HD12 LEU 13 HD12 LEU 13 -0.834 7.998 16.360 91 HD13 LEU 13 HD13 LEU 13 -0.443 7.423 14.742 92 HD21 LEU 13 HD21 LEU 13 -2.791 9.128 15.895 93 HD22 LEU 13 HD22 LEU 13 -4.133 8.411 15.000 94 HD23 LEU 13 HD23 LEU 13 -2.651 8.862 14.158 95 HA PRO 14 HA PRO 14 -6.644 3.730 13.881 96 HB2 PRO 14 HB2 PRO 14 -6.036 1.948 11.554 97 HB3 PRO 14 HB1 PRO 14 -7.304 3.179 11.729 98 HG2 PRO 14 HG2 PRO 14 -5.186 3.639 10.205 99 HG3 PRO 14 HG1 PRO 14 -5.859 4.924 11.230 100 HD2 PRO 14 HD2 PRO 14 -3.433 3.215 11.707 101 HD3 PRO 14 HD1 PRO 14 -3.638 4.957 11.970 102 H LEU 15 HN LEU 15 -4.312 1.167 13.028 103 HA LEU 15 HA LEU 15 -5.753 -0.956 14.229 104 HB2 LEU 15 HB2 LEU 15 -2.825 -0.642 13.540 105 HB3 LEU 15 HB1 LEU 15 -3.530 -2.147 14.120 106 HG LEU 15 HG LEU 15 -4.564 -0.668 11.685 107 HD11 LEU 15 HD11 LEU 15 -2.205 -1.338 11.356 108 HD12 LEU 15 HD12 LEU 15 -3.292 -2.281 10.337 109 HD13 LEU 15 HD13 LEU 15 -2.620 -2.993 11.804 110 HD21 LEU 15 HD21 LEU 15 -6.247 -2.173 12.356 111 HD22 LEU 15 HD22 LEU 15 -5.089 -3.363 12.946 112 HD23 LEU 15 HD23 LEU 15 -5.323 -3.143 11.214 113 H LEU 16 HN LEU 16 -3.162 1.151 15.375 114 HA LEU 16 HA LEU 16 -2.725 -0.112 17.861 115 HB2 LEU 16 HB2 LEU 16 -2.382 2.825 17.227 116 HB3 LEU 16 HB1 LEU 16 -1.554 1.903 18.482 117 HG LEU 16 HG LEU 16 -1.309 1.434 15.494 118 HD11 LEU 16 HD11 LEU 16 0.760 2.452 17.458 119 HD12 LEU 16 HD12 LEU 16 -0.209 3.509 16.430 120 HD13 LEU 16 HD13 LEU 16 0.909 2.354 15.703 121 HD21 LEU 16 HD21 LEU 16 -0.213 0.007 17.922 122 HD22 LEU 16 HD22 LEU 16 0.672 -0.016 16.396 123 HD23 LEU 16 HD23 LEU 16 -0.957 -0.680 16.476 124 H ASN 17 HN ASN 17 -4.924 2.478 16.867 125 HA ASN 17 HA ASN 17 -5.863 3.165 19.435 126 HB2 ASN 17 HB2 ASN 17 -6.246 4.552 17.434 127 HB3 ASN 17 HB1 ASN 17 -7.315 3.312 16.782 128 HD21 ASN 17 HD21 ASN 17 -8.086 6.080 17.490 129 HD22 ASN 17 HD22 ASN 17 -9.270 5.949 18.701 130 H VAL 18 HN VAL 18 -6.971 0.760 17.075 131 HA VAL 18 HA VAL 18 -9.294 -0.051 18.474 132 HB VAL 18 HB VAL 18 -7.524 -1.557 16.533 133 HG11 VAL 18 HG11 VAL 18 -10.183 -2.234 17.799 134 HG12 VAL 18 HG12 VAL 18 -8.733 -3.233 17.700 135 HG13 VAL 18 HG13 VAL 18 -9.691 -2.923 16.253 136 HG21 VAL 18 HG21 VAL 18 -9.066 -0.859 14.860 137 HG22 VAL 18 HG22 VAL 18 -8.763 0.588 15.824 138 HG23 VAL 18 HG23 VAL 18 -10.250 -0.333 16.059 139 H ILE 19 HN ILE 19 -5.968 -1.299 18.453 140 HA ILE 19 HA ILE 19 -6.394 -3.403 20.301 141 HB ILE 19 HB ILE 19 -3.902 -1.842 19.575 142 HG12 ILE 19 HG12 ILE 19 -4.741 -4.654 18.821 143 HG13 ILE 19 HG11 ILE 19 -5.095 -3.247 17.820 144 HG21 ILE 19 HG21 ILE 19 -3.417 -2.778 21.701 145 HG22 ILE 19 HG22 ILE 19 -2.780 -3.953 20.551 146 HG23 ILE 19 HG23 ILE 19 -4.324 -4.251 21.353 147 HD11 ILE 19 HD11 ILE 19 -2.289 -3.868 18.751 148 HD12 ILE 19 HD12 ILE 19 -2.794 -2.797 17.442 149 HD13 ILE 19 HD13 ILE 19 -2.948 -4.544 17.260 150 H ALA 20 HN ALA 20 -5.333 -0.045 20.665 151 HA ALA 20 HA ALA 20 -5.159 -0.267 23.562 152 HB1 ALA 20 HB1 ALA 20 -3.622 1.179 22.192 153 HB2 ALA 20 HB2 ALA 20 -4.433 2.026 23.509 154 HB3 ALA 20 HB3 ALA 20 -5.003 2.222 21.851 155 HN1 NH2 21 H2 NH2 21 -8.798 0.956 22.459 156 HN2 NH2 21 H1 NH2 21 -7.732 0.147 21.414 Start of MODEL 4 1 H1 ACE 0 HA2 ACE 0 5.020 -7.839 4.771 2 H2 ACE 0 HA3 ACE 0 3.637 -8.760 5.364 3 H3 ACE 0 HA1 ACE 0 3.450 -7.057 4.949 4 H LEU 1 HN LEU 1 1.682 -7.864 3.570 5 HA LEU 1 HA LEU 1 2.098 -9.571 1.361 6 HB2 LEU 1 HB2 LEU 1 0.080 -7.376 1.855 7 HB3 LEU 1 HB1 LEU 1 0.021 -8.446 0.458 8 HG LEU 1 HG LEU 1 0.074 -9.447 3.320 9 HD11 LEU 1 HD11 LEU 1 -2.261 -8.832 1.494 10 HD12 LEU 1 HD12 LEU 1 -1.947 -8.170 3.099 11 HD13 LEU 1 HD13 LEU 1 -2.397 -9.866 2.915 12 HD21 LEU 1 HD21 LEU 1 -1.071 -11.443 2.016 13 HD22 LEU 1 HD22 LEU 1 0.678 -11.269 1.970 14 HD23 LEU 1 HD23 LEU 1 -0.295 -10.722 0.607 15 H GLY 2 HN GLY 2 2.332 -6.058 1.729 16 HA2 GLY 2 HA2 GLY 2 4.377 -5.492 0.064 17 HA3 GLY 2 HA1 GLY 2 3.034 -5.663 -1.063 18 H LEU 3 HN LEU 3 1.034 -4.629 0.770 19 HA LEU 3 HA LEU 3 1.556 -1.775 0.394 20 HB2 LEU 3 HB2 LEU 3 -0.918 -3.275 1.279 21 HB3 LEU 3 HB1 LEU 3 -0.834 -1.531 1.040 22 HG LEU 3 HG LEU 3 -0.207 -3.575 -1.114 23 HD11 LEU 3 HD11 LEU 3 -2.396 -3.145 -2.015 24 HD12 LEU 3 HD12 LEU 3 -2.692 -1.864 -0.839 25 HD13 LEU 3 HD13 LEU 3 -2.612 -3.545 -0.312 26 HD21 LEU 3 HD21 LEU 3 -0.721 -1.372 -2.504 27 HD22 LEU 3 HD22 LEU 3 0.873 -1.615 -1.800 28 HD23 LEU 3 HD23 LEU 3 -0.291 -0.561 -0.998 29 H LEU 4 HN LEU 4 1.935 -4.058 2.846 30 HA LEU 4 HA LEU 4 1.124 -2.609 5.125 31 HB2 LEU 4 HB2 LEU 4 1.694 -5.005 5.185 32 HB3 LEU 4 HB1 LEU 4 3.374 -4.619 4.835 33 HG LEU 4 HG LEU 4 3.469 -3.285 6.953 34 HD11 LEU 4 HD11 LEU 4 0.609 -4.231 7.114 35 HD12 LEU 4 HD12 LEU 4 1.265 -2.626 7.434 36 HD13 LEU 4 HD13 LEU 4 1.524 -3.927 8.591 37 HD21 LEU 4 HD21 LEU 4 3.470 -5.247 8.455 38 HD22 LEU 4 HD22 LEU 4 4.209 -5.632 6.900 39 HD23 LEU 4 HD23 LEU 4 2.566 -6.166 7.250 40 H SER 5 HN SER 5 4.274 -2.788 3.464 41 HA SER 5 HA SER 5 5.623 -0.988 5.186 42 HB2 SER 5 HB2 SER 5 6.151 -1.615 2.272 43 HB3 SER 5 HB1 SER 5 7.271 -0.808 3.366 44 HG SER 5 HG SER 5 7.714 -2.664 4.272 45 H TYR 6 HN TYR 6 3.885 -0.557 2.139 46 HA TYR 6 HA TYR 6 4.363 2.201 1.806 47 HB2 TYR 6 HB2 TYR 6 3.550 0.826 -0.018 48 HB3 TYR 6 HB1 TYR 6 2.070 0.468 0.869 49 HD1 TYR 6 HD1 TYR 6 4.079 3.392 -0.354 50 HD2 TYR 6 HD2 TYR 6 0.180 1.807 0.509 51 HE1 TYR 6 HE1 TYR 6 3.038 5.445 -1.276 52 HE2 TYR 6 HE2 TYR 6 -0.858 3.855 -0.414 53 HH TYR 6 HH TYR 6 -0.470 5.724 -1.634 54 H GLY 7 HN GLY 7 1.666 0.454 3.325 55 HA2 GLY 7 HA2 GLY 7 0.426 2.942 4.215 56 HA3 GLY 7 HA1 GLY 7 -0.199 1.313 4.452 57 H ALA 8 HN ALA 8 3.115 1.883 5.229 58 HA ALA 8 HA ALA 8 2.741 1.113 7.951 59 HB1 ALA 8 HB1 ALA 8 4.813 0.652 6.654 60 HB2 ALA 8 HB2 ALA 8 5.134 1.482 8.178 61 HB3 ALA 8 HB3 ALA 8 5.168 2.380 6.660 62 H GLY 9 HN GLY 9 1.172 3.425 7.315 63 HA2 GLY 9 HA2 GLY 9 2.012 5.147 9.489 64 HA3 GLY 9 HA1 GLY 9 2.041 5.917 7.906 65 H VAL 10 HN VAL 10 -0.125 5.103 6.620 66 HA VAL 10 HA VAL 10 -2.239 6.537 7.816 67 HB VAL 10 HB VAL 10 -2.258 4.537 5.549 68 HG11 VAL 10 HG11 VAL 10 -4.403 5.790 4.953 69 HG12 VAL 10 HG12 VAL 10 -4.371 6.431 6.595 70 HG13 VAL 10 HG13 VAL 10 -4.510 4.692 6.329 71 HG21 VAL 10 HG21 VAL 10 -0.857 6.505 5.131 72 HG22 VAL 10 HG22 VAL 10 -2.172 7.570 5.633 73 HG23 VAL 10 HG23 VAL 10 -2.329 6.606 4.165 74 H ALA 11 HN ALA 11 -1.696 3.036 7.454 75 HA ALA 11 HA ALA 11 -4.085 2.386 8.971 76 HB1 ALA 11 HB1 ALA 11 -3.120 1.008 7.049 77 HB2 ALA 11 HB2 ALA 11 -3.561 0.117 8.507 78 HB3 ALA 11 HB3 ALA 11 -1.869 0.496 8.183 79 H SER 12 HN SER 12 -0.863 3.182 9.677 80 HA SER 12 HA SER 12 -0.450 1.580 11.994 81 HB2 SER 12 HB2 SER 12 1.396 2.690 10.777 82 HB3 SER 12 HB1 SER 12 0.769 4.259 11.274 83 HG SER 12 HG SER 12 1.199 3.744 13.386 84 H LEU 13 HN LEU 13 -2.543 4.140 11.382 85 HA LEU 13 HA LEU 13 -2.541 5.169 14.120 86 HB2 LEU 13 HB2 LEU 13 -3.586 6.046 11.488 87 HB3 LEU 13 HB1 LEU 13 -4.635 6.433 12.851 88 HG LEU 13 HG LEU 13 -2.664 7.487 13.993 89 HD11 LEU 13 HD11 LEU 13 -1.335 7.133 11.289 90 HD12 LEU 13 HD12 LEU 13 -0.943 6.173 12.715 91 HD13 LEU 13 HD13 LEU 13 -0.639 7.910 12.710 92 HD21 LEU 13 HD21 LEU 13 -3.421 8.513 11.241 93 HD22 LEU 13 HD22 LEU 13 -2.584 9.473 12.461 94 HD23 LEU 13 HD23 LEU 13 -4.222 8.895 12.765 95 HA PRO 14 HA PRO 14 -7.079 3.532 14.031 96 HB2 PRO 14 HB2 PRO 14 -7.722 1.803 11.951 97 HB3 PRO 14 HB1 PRO 14 -8.060 3.544 11.951 98 HG2 PRO 14 HG2 PRO 14 -5.777 2.066 10.711 99 HG3 PRO 14 HG1 PRO 14 -6.756 3.389 10.047 100 HD2 PRO 14 HD2 PRO 14 -4.313 3.861 11.052 101 HD3 PRO 14 HD1 PRO 14 -5.640 5.021 11.300 102 H LEU 15 HN LEU 15 -4.761 1.240 12.556 103 HA LEU 15 HA LEU 15 -5.700 -1.061 13.888 104 HB2 LEU 15 HB2 LEU 15 -2.969 -0.369 12.796 105 HB3 LEU 15 HB1 LEU 15 -3.393 -1.964 13.409 106 HG LEU 15 HG LEU 15 -4.895 -0.544 11.188 107 HD11 LEU 15 HD11 LEU 15 -2.516 -1.100 10.611 108 HD12 LEU 15 HD12 LEU 15 -3.699 -1.966 9.633 109 HD13 LEU 15 HD13 LEU 15 -2.875 -2.793 10.956 110 HD21 LEU 15 HD21 LEU 15 -6.400 -2.145 11.975 111 HD22 LEU 15 HD22 LEU 15 -5.128 -3.228 12.538 112 HD23 LEU 15 HD23 LEU 15 -5.501 -3.120 10.819 113 H LEU 16 HN LEU 16 -3.184 1.277 14.735 114 HA LEU 16 HA LEU 16 -2.345 -0.010 17.116 115 HB2 LEU 16 HB2 LEU 16 -2.080 2.771 16.005 116 HB3 LEU 16 HB1 LEU 16 -1.576 2.446 17.659 117 HG LEU 16 HG LEU 16 0.242 2.249 15.879 118 HD11 LEU 16 HD11 LEU 16 0.142 1.047 18.219 119 HD12 LEU 16 HD12 LEU 16 1.363 0.570 17.044 120 HD13 LEU 16 HD13 LEU 16 -0.083 -0.411 17.253 121 HD21 LEU 16 HD21 LEU 16 0.270 0.407 14.390 122 HD22 LEU 16 HD22 LEU 16 -1.375 1.024 14.282 123 HD23 LEU 16 HD23 LEU 16 -1.035 -0.414 15.242 124 H ASN 17 HN ASN 17 -4.803 2.425 16.424 125 HA ASN 17 HA ASN 17 -5.475 3.079 19.077 126 HB2 ASN 17 HB2 ASN 17 -7.010 3.167 16.481 127 HB3 ASN 17 HB1 ASN 17 -7.736 3.679 18.003 128 HD21 ASN 17 HD21 ASN 17 -7.301 5.545 15.882 129 HD22 ASN 17 HD22 ASN 17 -6.106 6.645 16.375 130 H VAL 18 HN VAL 18 -6.665 0.527 16.916 131 HA VAL 18 HA VAL 18 -8.732 -0.413 18.608 132 HB VAL 18 HB VAL 18 -7.113 -1.789 16.451 133 HG11 VAL 18 HG11 VAL 18 -9.445 -2.768 18.112 134 HG12 VAL 18 HG12 VAL 18 -7.897 -3.567 17.837 135 HG13 VAL 18 HG13 VAL 18 -9.071 -3.445 16.526 136 HG21 VAL 18 HG21 VAL 18 -9.980 -0.799 16.509 137 HG22 VAL 18 HG22 VAL 18 -9.115 -1.443 15.113 138 HG23 VAL 18 HG23 VAL 18 -8.636 0.103 15.813 139 H ILE 19 HN ILE 19 -5.335 -1.385 18.226 140 HA ILE 19 HA ILE 19 -5.377 -3.464 20.147 141 HB ILE 19 HB ILE 19 -3.116 -1.721 19.135 142 HG12 ILE 19 HG12 ILE 19 -3.801 -4.610 18.529 143 HG13 ILE 19 HG11 ILE 19 -4.353 -3.260 17.536 144 HG21 ILE 19 HG21 ILE 19 -3.143 -4.122 20.973 145 HG22 ILE 19 HG22 ILE 19 -2.361 -2.563 21.231 146 HG23 ILE 19 HG23 ILE 19 -1.717 -3.685 20.033 147 HD11 ILE 19 HD11 ILE 19 -2.071 -2.608 17.046 148 HD12 ILE 19 HD12 ILE 19 -2.234 -4.330 16.699 149 HD13 ILE 19 HD13 ILE 19 -1.442 -3.799 18.183 150 H ALA 20 HN ALA 20 -4.590 -0.018 20.341 151 HA ALA 20 HA ALA 20 -3.752 0.068 23.017 152 HB1 ALA 20 HB1 ALA 20 -5.230 2.209 21.470 153 HB2 ALA 20 HB2 ALA 20 -3.488 1.942 21.424 154 HB3 ALA 20 HB3 ALA 20 -4.263 2.455 22.923 155 HN1 NH2 21 H2 NH2 21 -7.846 0.387 23.207 156 HN2 NH2 21 H1 NH2 21 -7.068 0.707 21.734 Start of MODEL 5 1 H1 ACE 0 HA2 ACE 0 3.782 -8.348 0.370 2 H2 ACE 0 HA3 ACE 0 2.405 -9.380 0.760 3 H3 ACE 0 HA1 ACE 0 2.451 -7.715 1.340 4 H LEU 1 HN LEU 1 0.470 -7.204 0.323 5 HA LEU 1 HA LEU 1 -0.116 -7.655 -2.404 6 HB2 LEU 1 HB2 LEU 1 -1.113 -5.562 -0.462 7 HB3 LEU 1 HB1 LEU 1 -1.783 -5.790 -2.073 8 HG LEU 1 HG LEU 1 -1.601 -8.022 -0.029 9 HD11 LEU 1 HD11 LEU 1 -3.007 -6.141 0.801 10 HD12 LEU 1 HD12 LEU 1 -3.956 -7.591 0.474 11 HD13 LEU 1 HD13 LEU 1 -3.978 -6.248 -0.667 12 HD21 LEU 1 HD21 LEU 1 -1.940 -9.028 -2.131 13 HD22 LEU 1 HD22 LEU 1 -2.905 -7.682 -2.735 14 HD23 LEU 1 HD23 LEU 1 -3.592 -8.806 -1.566 15 H GLY 2 HN GLY 2 1.363 -4.927 -0.707 16 HA2 GLY 2 HA2 GLY 2 3.249 -4.013 -2.288 17 HA3 GLY 2 HA1 GLY 2 1.851 -3.514 -3.240 18 H LEU 3 HN LEU 3 0.294 -3.160 -0.705 19 HA LEU 3 HA LEU 3 1.172 -0.417 -0.128 20 HB2 LEU 3 HB2 LEU 3 -1.367 -1.893 0.616 21 HB3 LEU 3 HB1 LEU 3 -1.050 -0.183 0.910 22 HG LEU 3 HG LEU 3 -1.071 -1.489 -1.831 23 HD11 LEU 3 HD11 LEU 3 -3.316 -1.496 -0.943 24 HD12 LEU 3 HD12 LEU 3 -3.205 -0.165 -2.095 25 HD13 LEU 3 HD13 LEU 3 -3.147 0.161 -0.362 26 HD21 LEU 3 HD21 LEU 3 -1.329 1.082 -2.407 27 HD22 LEU 3 HD22 LEU 3 0.268 0.418 -2.084 28 HD23 LEU 3 HD23 LEU 3 -0.583 1.315 -0.826 29 H LEU 4 HN LEU 4 1.932 -3.328 1.031 30 HA LEU 4 HA LEU 4 1.456 -3.207 3.798 31 HB2 LEU 4 HB2 LEU 4 2.158 -5.263 2.675 32 HB3 LEU 4 HB1 LEU 4 3.711 -4.536 2.275 33 HG LEU 4 HG LEU 4 4.267 -4.350 4.664 34 HD11 LEU 4 HD11 LEU 4 1.438 -5.343 4.985 35 HD12 LEU 4 HD12 LEU 4 2.249 -4.014 5.815 36 HD13 LEU 4 HD13 LEU 4 2.640 -5.679 6.233 37 HD21 LEU 4 HD21 LEU 4 4.184 -6.873 5.189 38 HD22 LEU 4 HD22 LEU 4 4.989 -6.394 3.694 39 HD23 LEU 4 HD23 LEU 4 3.351 -7.045 3.643 40 H SER 5 HN SER 5 4.170 -2.012 1.838 41 HA SER 5 HA SER 5 5.853 -1.228 3.939 42 HB2 SER 5 HB2 SER 5 6.780 -1.234 1.762 43 HB3 SER 5 HB1 SER 5 5.494 -0.211 1.125 44 HG SER 5 HG SER 5 6.356 1.514 2.142 45 H TYR 6 HN TYR 6 3.334 0.608 2.218 46 HA TYR 6 HA TYR 6 3.681 3.023 3.655 47 HB2 TYR 6 HB2 TYR 6 1.333 1.883 2.134 48 HB3 TYR 6 HB1 TYR 6 1.314 3.490 2.863 49 HD1 TYR 6 HD1 TYR 6 2.964 5.218 2.122 50 HD2 TYR 6 HD2 TYR 6 2.587 1.429 0.137 51 HE1 TYR 6 HE1 TYR 6 4.196 6.119 0.166 52 HE2 TYR 6 HE2 TYR 6 3.819 2.327 -1.816 53 HH TYR 6 HH TYR 6 5.373 5.463 -1.726 54 H GLY 7 HN GLY 7 1.551 0.234 4.148 55 HA2 GLY 7 HA2 GLY 7 0.472 1.379 6.621 56 HA3 GLY 7 HA1 GLY 7 -0.050 -0.109 5.840 57 H ALA 8 HN ALA 8 3.347 0.438 6.282 58 HA ALA 8 HA ALA 8 3.594 -1.936 7.882 59 HB1 ALA 8 HB1 ALA 8 5.722 0.143 7.370 60 HB2 ALA 8 HB2 ALA 8 5.299 -1.113 6.207 61 HB3 ALA 8 HB3 ALA 8 5.950 -1.555 7.783 62 H GLY 9 HN GLY 9 1.934 -0.524 9.371 63 HA2 GLY 9 HA2 GLY 9 1.698 0.032 11.605 64 HA3 GLY 9 HA1 GLY 9 3.440 -0.077 11.780 65 H VAL 10 HN VAL 10 2.426 1.867 9.202 66 HA VAL 10 HA VAL 10 3.632 4.184 10.260 67 HB VAL 10 HB VAL 10 1.813 3.800 7.879 68 HG11 VAL 10 HG11 VAL 10 2.872 6.023 7.167 69 HG12 VAL 10 HG12 VAL 10 3.343 6.219 8.856 70 HG13 VAL 10 HG13 VAL 10 1.637 6.114 8.424 71 HG21 VAL 10 HG21 VAL 10 3.911 2.622 7.654 72 HG22 VAL 10 HG22 VAL 10 4.815 4.015 8.245 73 HG23 VAL 10 HG23 VAL 10 4.017 4.085 6.675 74 H ALA 11 HN ALA 11 0.181 3.353 9.862 75 HA ALA 11 HA ALA 11 -0.547 4.958 12.114 76 HB1 ALA 11 HB1 ALA 11 -1.494 6.050 9.468 77 HB2 ALA 11 HB2 ALA 11 -0.076 6.679 10.307 78 HB3 ALA 11 HB3 ALA 11 -1.663 6.771 11.070 79 H SER 12 HN SER 12 -1.429 3.017 9.363 80 HA SER 12 HA SER 12 -4.227 2.906 9.869 81 HB2 SER 12 HB2 SER 12 -2.584 0.769 8.515 82 HB3 SER 12 HB1 SER 12 -4.283 1.154 8.264 83 HG SER 12 HG SER 12 -2.742 3.336 7.904 84 H LEU 13 HN LEU 13 -1.533 1.554 11.484 85 HA LEU 13 HA LEU 13 -3.225 -0.521 12.752 86 HB2 LEU 13 HB2 LEU 13 -0.534 -0.560 11.710 87 HB3 LEU 13 HB1 LEU 13 -0.480 -0.942 13.426 88 HG LEU 13 HG LEU 13 -0.712 -2.979 12.080 89 HD11 LEU 13 HD11 LEU 13 -2.046 -2.488 14.349 90 HD12 LEU 13 HD12 LEU 13 -2.226 -4.004 13.473 91 HD13 LEU 13 HD13 LEU 13 -3.439 -2.740 13.295 92 HD21 LEU 13 HD21 LEU 13 -2.343 -3.335 10.473 93 HD22 LEU 13 HD22 LEU 13 -2.111 -1.601 10.281 94 HD23 LEU 13 HD23 LEU 13 -3.483 -2.211 11.206 95 HA PRO 14 HA PRO 14 -0.756 1.599 16.438 96 HB2 PRO 14 HB2 PRO 14 -0.560 4.316 15.176 97 HB3 PRO 14 HB1 PRO 14 0.553 3.515 16.306 98 HG2 PRO 14 HG2 PRO 14 1.135 3.697 13.722 99 HG3 PRO 14 HG1 PRO 14 1.522 2.231 14.644 100 HD2 PRO 14 HD2 PRO 14 -0.671 2.676 12.660 101 HD3 PRO 14 HD1 PRO 14 0.261 1.214 12.994 102 H LEU 15 HN LEU 15 -2.806 3.664 14.363 103 HA LEU 15 HA LEU 15 -4.267 4.865 16.465 104 HB2 LEU 15 HB2 LEU 15 -4.964 4.392 13.562 105 HB3 LEU 15 HB1 LEU 15 -5.956 5.351 14.657 106 HG LEU 15 HG LEU 15 -3.027 5.904 14.093 107 HD11 LEU 15 HD11 LEU 15 -4.206 6.273 12.043 108 HD12 LEU 15 HD12 LEU 15 -3.984 7.861 12.781 109 HD13 LEU 15 HD13 LEU 15 -5.549 7.054 12.878 110 HD21 LEU 15 HD21 LEU 15 -3.936 8.243 14.988 111 HD22 LEU 15 HD22 LEU 15 -3.452 6.984 16.117 112 HD23 LEU 15 HD23 LEU 15 -5.160 7.231 15.757 113 H LEU 16 HN LEU 16 -4.839 1.976 14.510 114 HA LEU 16 HA LEU 16 -7.395 1.353 15.541 115 HB2 LEU 16 HB2 LEU 16 -5.232 -0.230 14.173 116 HB3 LEU 16 HB1 LEU 16 -6.659 -1.048 14.799 117 HG LEU 16 HG LEU 16 -6.802 -0.345 12.367 118 HD11 LEU 16 HD11 LEU 16 -8.799 -0.586 14.103 119 HD12 LEU 16 HD12 LEU 16 -9.082 0.050 12.488 120 HD13 LEU 16 HD13 LEU 16 -8.943 1.153 13.852 121 HD21 LEU 16 HD21 LEU 16 -5.608 1.864 12.838 122 HD22 LEU 16 HD22 LEU 16 -7.141 2.445 13.485 123 HD23 LEU 16 HD23 LEU 16 -7.026 1.961 11.795 124 H ASN 17 HN ASN 17 -4.131 0.431 16.561 125 HA ASN 17 HA ASN 17 -4.887 -1.393 18.574 126 HB2 ASN 17 HB2 ASN 17 -2.606 -1.303 17.742 127 HB3 ASN 17 HB1 ASN 17 -2.422 0.345 18.342 128 HD21 ASN 17 HD21 ASN 17 -3.167 -2.977 19.535 129 HD22 ASN 17 HD22 ASN 17 -2.438 -2.746 21.050 130 H VAL 18 HN VAL 18 -4.322 2.111 18.658 131 HA VAL 18 HA VAL 18 -4.594 2.415 21.463 132 HB VAL 18 HB VAL 18 -5.035 4.354 19.180 133 HG11 VAL 18 HG11 VAL 18 -5.089 4.750 22.180 134 HG12 VAL 18 HG12 VAL 18 -6.307 5.235 21.000 135 HG13 VAL 18 HG13 VAL 18 -4.757 6.072 21.061 136 HG21 VAL 18 HG21 VAL 18 -2.836 5.164 19.773 137 HG22 VAL 18 HG22 VAL 18 -2.722 3.413 19.602 138 HG23 VAL 18 HG23 VAL 18 -2.791 4.139 21.207 139 H ILE 19 HN ILE 19 -6.905 2.683 18.785 140 HA ILE 19 HA ILE 19 -9.158 3.377 20.356 141 HB ILE 19 HB ILE 19 -8.943 1.999 17.667 142 HG12 ILE 19 HG12 ILE 19 -9.735 4.838 18.366 143 HG13 ILE 19 HG11 ILE 19 -8.086 4.374 17.948 144 HG21 ILE 19 HG21 ILE 19 -11.328 3.038 19.216 145 HG22 ILE 19 HG22 ILE 19 -11.103 1.429 18.532 146 HG23 ILE 19 HG23 ILE 19 -11.363 2.809 17.466 147 HD11 ILE 19 HD11 ILE 19 -9.203 5.181 15.941 148 HD12 ILE 19 HD12 ILE 19 -10.545 4.066 16.201 149 HD13 ILE 19 HD13 ILE 19 -8.947 3.443 15.790 150 H ALA 20 HN ALA 20 -7.869 0.282 19.223 151 HA ALA 20 HA ALA 20 -9.960 -1.286 20.419 152 HB1 ALA 20 HB1 ALA 20 -8.598 -3.203 19.795 153 HB2 ALA 20 HB2 ALA 20 -7.212 -2.155 19.493 154 HB3 ALA 20 HB3 ALA 20 -8.636 -2.053 18.458 155 HN1 NH2 21 H2 NH2 21 -6.997 -0.709 23.122 156 HN2 NH2 21 H1 NH2 21 -6.980 0.087 21.622 Start of MODEL 6 1 H1 ACE 0 HA2 ACE 0 0.514 -9.875 -0.627 2 H2 ACE 0 HA3 ACE 0 1.146 -8.583 0.393 3 H3 ACE 0 HA1 ACE 0 2.245 -9.540 -0.600 4 H LEU 1 HN LEU 1 -0.282 -7.093 -0.647 5 HA LEU 1 HA LEU 1 -0.341 -6.614 -3.428 6 HB2 LEU 1 HB2 LEU 1 -0.954 -4.822 -1.073 7 HB3 LEU 1 HB1 LEU 1 -1.249 -4.359 -2.746 8 HG LEU 1 HG LEU 1 -2.376 -6.878 -1.489 9 HD11 LEU 1 HD11 LEU 1 -3.212 -4.854 -0.327 10 HD12 LEU 1 HD12 LEU 1 -4.486 -5.646 -1.253 11 HD13 LEU 1 HD13 LEU 1 -3.721 -4.186 -1.878 12 HD21 LEU 1 HD21 LEU 1 -2.721 -5.460 -4.131 13 HD22 LEU 1 HD22 LEU 1 -4.062 -6.393 -3.474 14 HD23 LEU 1 HD23 LEU 1 -2.527 -7.181 -3.810 15 H GLY 2 HN GLY 2 1.657 -5.291 -0.829 16 HA2 GLY 2 HA2 GLY 2 3.999 -4.787 -1.405 17 HA3 GLY 2 HA1 GLY 2 3.406 -4.031 -2.877 18 H LEU 3 HN LEU 3 1.142 -3.228 -0.755 19 HA LEU 3 HA LEU 3 2.304 -0.584 -0.259 20 HB2 LEU 3 HB2 LEU 3 -0.487 -1.651 0.244 21 HB3 LEU 3 HB1 LEU 3 0.020 0.024 0.441 22 HG LEU 3 HG LEU 3 0.161 -1.530 -2.160 23 HD11 LEU 3 HD11 LEU 3 -1.751 -0.181 -2.857 24 HD12 LEU 3 HD12 LEU 3 -1.757 0.662 -1.309 25 HD13 LEU 3 HD13 LEU 3 -2.162 -1.053 -1.380 26 HD21 LEU 3 HD21 LEU 3 1.785 0.134 -2.395 27 HD22 LEU 3 HD22 LEU 3 0.950 1.256 -1.321 28 HD23 LEU 3 HD23 LEU 3 0.356 0.994 -2.961 29 H LEU 4 HN LEU 4 2.227 -3.501 1.302 30 HA LEU 4 HA LEU 4 1.581 -2.815 3.964 31 HB2 LEU 4 HB2 LEU 4 3.248 -4.980 2.700 32 HB3 LEU 4 HB1 LEU 4 3.191 -4.819 4.453 33 HG LEU 4 HG LEU 4 1.499 -6.428 3.515 34 HD11 LEU 4 HD11 LEU 4 -0.078 -5.899 5.115 35 HD12 LEU 4 HD12 LEU 4 -0.115 -4.190 4.692 36 HD13 LEU 4 HD13 LEU 4 1.214 -4.833 5.656 37 HD21 LEU 4 HD21 LEU 4 1.114 -4.987 1.449 38 HD22 LEU 4 HD22 LEU 4 0.117 -3.947 2.466 39 HD23 LEU 4 HD23 LEU 4 -0.343 -5.629 2.208 40 H SER 5 HN SER 5 4.641 -2.718 2.170 41 HA SER 5 HA SER 5 6.303 -2.020 4.337 42 HB2 SER 5 HB2 SER 5 7.397 -2.703 2.356 43 HB3 SER 5 HB1 SER 5 6.497 -1.563 1.362 44 HG SER 5 HG SER 5 8.811 -1.119 2.202 45 H TYR 6 HN TYR 6 4.530 -0.016 1.998 46 HA TYR 6 HA TYR 6 5.408 2.480 3.025 47 HB2 TYR 6 HB2 TYR 6 2.980 1.709 1.396 48 HB3 TYR 6 HB1 TYR 6 3.400 3.376 1.793 49 HD1 TYR 6 HD1 TYR 6 4.492 0.337 -0.026 50 HD2 TYR 6 HD2 TYR 6 5.257 4.493 0.746 51 HE1 TYR 6 HE1 TYR 6 6.101 0.393 -1.913 52 HE2 TYR 6 HE2 TYR 6 6.865 4.548 -1.140 53 HH TYR 6 HH TYR 6 7.981 1.685 -2.686 54 H GLY 7 HN GLY 7 2.543 0.488 3.664 55 HA2 GLY 7 HA2 GLY 7 1.587 2.383 5.692 56 HA3 GLY 7 HA1 GLY 7 0.730 0.969 5.096 57 H ALA 8 HN ALA 8 4.068 0.689 6.018 58 HA ALA 8 HA ALA 8 3.596 -1.426 7.806 59 HB1 ALA 8 HB1 ALA 8 5.930 -1.270 8.372 60 HB2 ALA 8 HB2 ALA 8 6.015 0.386 7.771 61 HB3 ALA 8 HB3 ALA 8 5.762 -0.950 6.646 62 H GLY 9 HN GLY 9 1.850 -0.431 9.111 63 HA2 GLY 9 HA2 GLY 9 1.204 0.171 11.239 64 HA3 GLY 9 HA1 GLY 9 2.891 0.410 11.648 65 H VAL 10 HN VAL 10 1.546 2.054 8.909 66 HA VAL 10 HA VAL 10 2.288 4.597 9.889 67 HB VAL 10 HB VAL 10 0.563 3.731 7.575 68 HG11 VAL 10 HG11 VAL 10 1.015 6.145 6.783 69 HG12 VAL 10 HG12 VAL 10 1.416 6.497 8.465 70 HG13 VAL 10 HG13 VAL 10 -0.204 5.944 8.044 71 HG21 VAL 10 HG21 VAL 10 3.386 4.820 7.809 72 HG22 VAL 10 HG22 VAL 10 2.565 4.458 6.291 73 HG23 VAL 10 HG23 VAL 10 2.943 3.158 7.423 74 H ALA 11 HN ALA 11 -0.948 3.123 9.518 75 HA ALA 11 HA ALA 11 -1.954 4.656 11.750 76 HB1 ALA 11 HB1 ALA 11 -2.121 6.428 10.165 77 HB2 ALA 11 HB2 ALA 11 -3.748 5.774 10.353 78 HB3 ALA 11 HB3 ALA 11 -2.787 5.354 8.935 79 H SER 12 HN SER 12 -2.465 2.383 9.140 80 HA SER 12 HA SER 12 -5.117 1.641 9.704 81 HB2 SER 12 HB2 SER 12 -2.802 0.099 8.523 82 HB3 SER 12 HB1 SER 12 -4.420 -0.579 8.682 83 HG SER 12 HG SER 12 -5.031 1.522 7.580 84 H LEU 13 HN LEU 13 -2.087 0.915 11.266 85 HA LEU 13 HA LEU 13 -3.393 -1.068 13.023 86 HB2 LEU 13 HB2 LEU 13 -0.759 -0.818 11.839 87 HB3 LEU 13 HB1 LEU 13 -0.605 -0.945 13.589 88 HG LEU 13 HG LEU 13 -2.149 -2.973 13.455 89 HD11 LEU 13 HD11 LEU 13 -2.186 -4.070 11.186 90 HD12 LEU 13 HD12 LEU 13 -1.563 -2.567 10.506 91 HD13 LEU 13 HD13 LEU 13 -3.149 -2.597 11.276 92 HD21 LEU 13 HD21 LEU 13 0.216 -3.305 13.770 93 HD22 LEU 13 HD22 LEU 13 0.547 -2.963 12.072 94 HD23 LEU 13 HD23 LEU 13 -0.304 -4.440 12.524 95 HA PRO 14 HA PRO 14 -1.165 2.033 16.149 96 HB2 PRO 14 HB2 PRO 14 -1.486 4.477 14.434 97 HB3 PRO 14 HB1 PRO 14 -0.220 4.087 15.617 98 HG2 PRO 14 HG2 PRO 14 0.234 3.895 13.002 99 HG3 PRO 14 HG1 PRO 14 0.922 2.727 14.146 100 HD2 PRO 14 HD2 PRO 14 -1.338 2.361 12.229 101 HD3 PRO 14 HD1 PRO 14 -0.165 1.185 12.829 102 H LEU 15 HN LEU 15 -3.687 3.242 13.912 103 HA LEU 15 HA LEU 15 -5.177 4.654 15.844 104 HB2 LEU 15 HB2 LEU 15 -6.010 3.353 13.249 105 HB3 LEU 15 HB1 LEU 15 -7.090 4.349 14.220 106 HG LEU 15 HG LEU 15 -4.398 5.286 13.182 107 HD11 LEU 15 HD11 LEU 15 -7.192 5.621 12.065 108 HD12 LEU 15 HD12 LEU 15 -5.798 4.889 11.270 109 HD13 LEU 15 HD13 LEU 15 -5.829 6.626 11.575 110 HD21 LEU 15 HD21 LEU 15 -6.627 6.548 14.768 111 HD22 LEU 15 HD22 LEU 15 -5.742 7.556 13.625 112 HD23 LEU 15 HD23 LEU 15 -4.883 6.750 14.930 113 H LEU 16 HN LEU 16 -5.377 1.298 14.735 114 HA LEU 16 HA LEU 16 -7.660 0.581 16.241 115 HB2 LEU 16 HB2 LEU 16 -5.390 -0.944 14.982 116 HB3 LEU 16 HB1 LEU 16 -6.553 -1.787 16.007 117 HG LEU 16 HG LEU 16 -8.397 -1.080 14.602 118 HD11 LEU 16 HD11 LEU 16 -7.788 0.211 12.453 119 HD12 LEU 16 HD12 LEU 16 -6.271 0.600 13.263 120 HD13 LEU 16 HD13 LEU 16 -7.800 1.129 13.960 121 HD21 LEU 16 HD21 LEU 16 -7.164 -3.070 13.851 122 HD22 LEU 16 HD22 LEU 16 -6.055 -2.049 12.934 123 HD23 LEU 16 HD23 LEU 16 -7.750 -2.156 12.460 124 H ASN 17 HN ASN 17 -4.207 0.568 16.978 125 HA ASN 17 HA ASN 17 -4.326 -0.786 19.441 126 HB2 ASN 17 HB2 ASN 17 -2.219 -0.359 18.257 127 HB3 ASN 17 HB1 ASN 17 -2.405 1.372 18.540 128 HD21 ASN 17 HD21 ASN 17 -0.759 -1.240 19.716 129 HD22 ASN 17 HD22 ASN 17 -0.596 -0.771 21.340 130 H VAL 18 HN VAL 18 -4.714 2.639 18.621 131 HA VAL 18 HA VAL 18 -4.761 3.655 21.249 132 HB VAL 18 HB VAL 18 -6.048 4.651 18.697 133 HG11 VAL 18 HG11 VAL 18 -5.859 5.911 21.445 134 HG12 VAL 18 HG12 VAL 18 -7.311 5.646 20.477 135 HG13 VAL 18 HG13 VAL 18 -6.127 6.854 19.980 136 HG21 VAL 18 HG21 VAL 18 -3.557 4.558 18.792 137 HG22 VAL 18 HG22 VAL 18 -3.599 5.565 20.237 138 HG23 VAL 18 HG23 VAL 18 -4.164 6.209 18.695 139 H ILE 19 HN ILE 19 -7.405 2.575 19.113 140 HA ILE 19 HA ILE 19 -9.486 3.064 20.981 141 HB ILE 19 HB ILE 19 -9.428 1.012 18.757 142 HG12 ILE 19 HG12 ILE 19 -8.868 3.198 17.838 143 HG13 ILE 19 HG11 ILE 19 -10.529 2.808 17.408 144 HG21 ILE 19 HG21 ILE 19 -11.686 2.387 20.236 145 HG22 ILE 19 HG22 ILE 19 -11.286 0.670 20.272 146 HG23 ILE 19 HG23 ILE 19 -11.901 1.402 18.789 147 HD11 ILE 19 HD11 ILE 19 -10.692 5.034 18.137 148 HD12 ILE 19 HD12 ILE 19 -9.524 4.797 19.434 149 HD13 ILE 19 HD13 ILE 19 -11.149 4.131 19.579 150 H ALA 20 HN ALA 20 -7.550 0.202 20.204 151 HA ALA 20 HA ALA 20 -8.868 -1.454 22.159 152 HB1 ALA 20 HB1 ALA 20 -7.346 -3.151 21.512 153 HB2 ALA 20 HB2 ALA 20 -6.169 -1.981 20.918 154 HB3 ALA 20 HB3 ALA 20 -7.674 -2.244 20.036 155 HN1 NH2 21 H2 NH2 21 -5.745 0.481 23.850 156 HN2 NH2 21 H1 NH2 21 -6.256 0.843 22.272 Start of MODEL 7 1 H1 ACE 0 HA2 ACE 0 3.889 -2.300 -5.606 2 H2 ACE 0 HA3 ACE 0 4.411 -1.424 -4.167 3 H3 ACE 0 HA1 ACE 0 2.769 -2.058 -4.264 4 H LEU 1 HN LEU 1 5.324 -2.530 -2.539 5 HA LEU 1 HA LEU 1 6.094 -5.228 -2.864 6 HB2 LEU 1 HB2 LEU 1 6.079 -3.424 -0.436 7 HB3 LEU 1 HB1 LEU 1 6.797 -5.032 -0.446 8 HG LEU 1 HG LEU 1 7.562 -2.850 -2.407 9 HD11 LEU 1 HD11 LEU 1 9.577 -2.545 -0.989 10 HD12 LEU 1 HD12 LEU 1 8.897 -3.662 0.194 11 HD13 LEU 1 HD13 LEU 1 8.096 -2.123 -0.127 12 HD21 LEU 1 HD21 LEU 1 8.311 -4.854 -3.357 13 HD22 LEU 1 HD22 LEU 1 8.566 -5.629 -1.796 14 HD23 LEU 1 HD23 LEU 1 9.704 -4.416 -2.375 15 H GLY 2 HN GLY 2 3.500 -3.671 -1.054 16 HA2 GLY 2 HA2 GLY 2 1.383 -4.738 -0.706 17 HA3 GLY 2 HA1 GLY 2 2.197 -6.300 -0.689 18 H LEU 3 HN LEU 3 4.227 -4.411 0.909 19 HA LEU 3 HA LEU 3 3.216 -5.246 3.544 20 HB2 LEU 3 HB2 LEU 3 5.906 -4.127 2.717 21 HB3 LEU 3 HB1 LEU 3 5.484 -4.676 4.337 22 HG LEU 3 HG LEU 3 5.412 -6.412 1.850 23 HD11 LEU 3 HD11 LEU 3 7.391 -6.389 4.148 24 HD12 LEU 3 HD12 LEU 3 7.706 -5.716 2.548 25 HD13 LEU 3 HD13 LEU 3 7.436 -7.449 2.738 26 HD21 LEU 3 HD21 LEU 3 3.899 -7.437 3.315 27 HD22 LEU 3 HD22 LEU 3 4.736 -6.858 4.757 28 HD23 LEU 3 HD23 LEU 3 5.408 -8.193 3.823 29 H LEU 4 HN LEU 4 3.065 -2.574 1.572 30 HA LEU 4 HA LEU 4 3.538 -0.438 3.367 31 HB2 LEU 4 HB2 LEU 4 1.734 -0.659 0.947 32 HB3 LEU 4 HB1 LEU 4 2.025 0.848 1.810 33 HG LEU 4 HG LEU 4 4.229 -0.867 0.623 34 HD11 LEU 4 HD11 LEU 4 2.683 0.013 -1.117 35 HD12 LEU 4 HD12 LEU 4 4.286 0.741 -1.222 36 HD13 LEU 4 HD13 LEU 4 2.952 1.643 -0.503 37 HD21 LEU 4 HD21 LEU 4 5.286 0.503 2.202 38 HD22 LEU 4 HD22 LEU 4 4.116 1.809 2.014 39 HD23 LEU 4 HD23 LEU 4 5.345 1.539 0.780 40 H SER 5 HN SER 5 0.671 -2.350 2.611 41 HA SER 5 HA SER 5 -1.043 -0.872 4.396 42 HB2 SER 5 HB2 SER 5 -1.381 -3.468 2.891 43 HB3 SER 5 HB1 SER 5 -2.637 -2.771 3.912 44 HG SER 5 HG SER 5 -1.343 -1.339 1.837 45 H TYR 6 HN TYR 6 1.410 -3.029 4.929 46 HA TYR 6 HA TYR 6 0.403 -4.817 6.846 47 HB2 TYR 6 HB2 TYR 6 2.685 -4.893 5.791 48 HB3 TYR 6 HB1 TYR 6 3.152 -3.553 6.835 49 HD1 TYR 6 HD2 TYR 6 3.280 -3.843 9.287 50 HD2 TYR 6 HD1 TYR 6 2.353 -7.119 6.668 51 HE1 TYR 6 HE2 TYR 6 3.751 -5.444 11.122 52 HE2 TYR 6 HE1 TYR 6 2.826 -8.719 8.499 53 HH TYR 6 HH TYR 6 4.367 -8.573 10.717 54 H GLY 7 HN GLY 7 1.779 -1.565 7.203 55 HA2 GLY 7 HA2 GLY 7 0.412 -0.235 8.936 56 HA3 GLY 7 HA1 GLY 7 0.941 -1.501 10.041 57 H ALA 8 HN ALA 8 2.905 -0.211 7.424 58 HA ALA 8 HA ALA 8 5.070 0.363 9.223 59 HB1 ALA 8 HB1 ALA 8 5.420 -0.447 6.903 60 HB2 ALA 8 HB2 ALA 8 6.268 1.066 7.222 61 HB3 ALA 8 HB3 ALA 8 4.767 1.075 6.295 62 H GLY 9 HN GLY 9 2.324 2.079 8.238 63 HA2 GLY 9 HA2 GLY 9 2.576 4.281 9.793 64 HA3 GLY 9 HA1 GLY 9 3.489 4.730 8.356 65 H VAL 10 HN VAL 10 0.680 2.627 8.299 66 HA VAL 10 HA VAL 10 -0.611 4.116 6.268 67 HB VAL 10 HB VAL 10 -1.724 2.015 8.142 68 HG11 VAL 10 HG11 VAL 10 -3.409 1.715 6.320 69 HG12 VAL 10 HG12 VAL 10 -2.742 3.134 5.513 70 HG13 VAL 10 HG13 VAL 10 -3.516 3.297 7.088 71 HG21 VAL 10 HG21 VAL 10 -0.648 1.780 5.314 72 HG22 VAL 10 HG22 VAL 10 -1.247 0.462 6.319 73 HG23 VAL 10 HG23 VAL 10 0.238 1.304 6.762 74 H ALA 11 HN ALA 11 -1.095 3.863 9.763 75 HA ALA 11 HA ALA 11 -1.925 5.447 11.235 76 HB1 ALA 11 HB1 ALA 11 -3.116 7.120 9.043 77 HB2 ALA 11 HB2 ALA 11 -1.365 7.109 9.239 78 HB3 ALA 11 HB3 ALA 11 -2.396 7.620 10.573 79 H SER 12 HN SER 12 -3.489 3.715 8.847 80 HA SER 12 HA SER 12 -6.188 4.175 9.973 81 HB2 SER 12 HB2 SER 12 -5.653 4.193 7.420 82 HB3 SER 12 HB1 SER 12 -5.618 2.439 7.582 83 HG SER 12 HG SER 12 -7.729 3.215 8.892 84 H LEU 13 HN LEU 13 -3.854 2.586 11.120 85 HA LEU 13 HA LEU 13 -5.438 0.409 12.084 86 HB2 LEU 13 HB2 LEU 13 -4.041 -0.141 9.734 87 HB3 LEU 13 HB1 LEU 13 -2.972 -0.775 10.979 88 HG LEU 13 HG LEU 13 -5.102 -1.901 11.954 89 HD11 LEU 13 HD11 LEU 13 -6.734 -2.488 10.092 90 HD12 LEU 13 HD12 LEU 13 -6.019 -1.176 9.158 91 HD13 LEU 13 HD13 LEU 13 -6.832 -0.833 10.686 92 HD21 LEU 13 HD21 LEU 13 -3.925 -2.791 9.301 93 HD22 LEU 13 HD22 LEU 13 -4.822 -3.830 10.411 94 HD23 LEU 13 HD23 LEU 13 -3.271 -3.147 10.901 95 HA PRO 14 HA PRO 14 -1.036 0.445 14.201 96 HB2 PRO 14 HB2 PRO 14 -0.176 3.210 13.440 97 HB3 PRO 14 HB1 PRO 14 0.795 1.731 13.597 98 HG2 PRO 14 HG2 PRO 14 0.204 2.692 11.204 99 HG3 PRO 14 HG1 PRO 14 0.163 0.944 11.505 100 HD2 PRO 14 HD2 PRO 14 -2.129 2.881 11.342 101 HD3 PRO 14 HD1 PRO 14 -1.999 1.248 10.654 102 H LEU 15 HN LEU 15 -2.479 3.693 13.824 103 HA LEU 15 HA LEU 15 -2.315 4.399 16.563 104 HB2 LEU 15 HB2 LEU 15 -4.082 5.403 14.324 105 HB3 LEU 15 HB1 LEU 15 -4.042 6.129 15.928 106 HG LEU 15 HG LEU 15 -1.585 5.771 14.186 107 HD11 LEU 15 HD11 LEU 15 -3.440 8.143 14.520 108 HD12 LEU 15 HD12 LEU 15 -3.065 7.281 13.027 109 HD13 LEU 15 HD13 LEU 15 -1.827 8.259 13.815 110 HD21 LEU 15 HD21 LEU 15 -0.901 7.758 15.820 111 HD22 LEU 15 HD22 LEU 15 -0.765 6.089 16.354 112 HD23 LEU 15 HD23 LEU 15 -2.148 7.062 16.853 113 H LEU 16 HN LEU 16 -4.868 2.947 14.605 114 HA LEU 16 HA LEU 16 -6.890 2.939 16.574 115 HB2 LEU 16 HB2 LEU 16 -6.522 0.941 14.332 116 HB3 LEU 16 HB1 LEU 16 -8.027 1.359 15.150 117 HG LEU 16 HG LEU 16 -6.343 3.271 13.504 118 HD11 LEU 16 HD11 LEU 16 -7.405 1.685 12.040 119 HD12 LEU 16 HD12 LEU 16 -8.360 3.167 11.975 120 HD13 LEU 16 HD13 LEU 16 -8.924 1.794 12.926 121 HD21 LEU 16 HD21 LEU 16 -8.887 3.566 15.107 122 HD22 LEU 16 HD22 LEU 16 -8.582 4.608 13.717 123 HD23 LEU 16 HD23 LEU 16 -7.468 4.614 15.081 124 H ASN 17 HN ASN 17 -4.367 0.595 15.754 125 HA ASN 17 HA ASN 17 -5.245 -1.501 17.413 126 HB2 ASN 17 HB2 ASN 17 -3.469 -1.645 15.632 127 HB3 ASN 17 HB1 ASN 17 -2.371 -0.842 16.753 128 HD21 ASN 17 HD21 ASN 17 -0.982 -2.641 17.182 129 HD22 ASN 17 HD22 ASN 17 -1.523 -4.062 17.935 130 H VAL 18 HN VAL 18 -3.100 1.254 18.060 131 HA VAL 18 HA VAL 18 -2.344 0.485 20.675 132 HB VAL 18 HB VAL 18 -2.534 3.210 19.368 133 HG11 VAL 18 HG11 VAL 18 -2.629 3.622 21.720 134 HG12 VAL 18 HG12 VAL 18 -0.938 3.839 21.264 135 HG13 VAL 18 HG13 VAL 18 -1.453 2.352 22.060 136 HG21 VAL 18 HG21 VAL 18 -0.895 1.722 18.342 137 HG22 VAL 18 HG22 VAL 18 -0.241 1.302 19.923 138 HG23 VAL 18 HG23 VAL 18 -0.048 2.938 19.295 139 H ILE 19 HN ILE 19 -4.955 2.575 19.470 140 HA ILE 19 HA ILE 19 -6.032 3.226 22.010 141 HB ILE 19 HB ILE 19 -7.296 3.150 19.257 142 HG12 ILE 19 HG12 ILE 19 -6.403 5.497 20.956 143 HG13 ILE 19 HG11 ILE 19 -5.379 4.747 19.731 144 HG21 ILE 19 HG21 ILE 19 -9.109 3.004 20.808 145 HG22 ILE 19 HG22 ILE 19 -8.980 4.712 20.393 146 HG23 ILE 19 HG23 ILE 19 -8.337 4.127 21.927 147 HD11 ILE 19 HD11 ILE 19 -6.493 6.638 18.711 148 HD12 ILE 19 HD12 ILE 19 -8.064 6.081 19.289 149 HD13 ILE 19 HD13 ILE 19 -7.206 5.167 18.049 150 H ALA 20 HN ALA 20 -6.756 0.685 19.657 151 HA ALA 20 HA ALA 20 -8.842 -0.481 21.283 152 HB1 ALA 20 HB1 ALA 20 -8.703 -2.324 19.558 153 HB2 ALA 20 HB2 ALA 20 -7.432 -1.391 18.769 154 HB3 ALA 20 HB3 ALA 20 -9.059 -0.722 18.909 155 HN1 NH2 21 H2 NH2 21 -5.270 -2.145 22.165 156 HN2 NH2 21 H1 NH2 21 -5.389 -0.752 21.205 Start of MODEL 8 1 H1 ACE 0 HA2 ACE 0 6.022 -3.715 -3.248 2 H2 ACE 0 HA3 ACE 0 6.599 -5.365 -3.481 3 H3 ACE 0 HA1 ACE 0 6.099 -4.823 -1.878 4 H LEU 1 HN LEU 1 4.323 -5.991 -1.395 5 HA LEU 1 HA LEU 1 2.447 -6.981 -3.262 6 HB2 LEU 1 HB2 LEU 1 2.257 -6.507 -0.282 7 HB3 LEU 1 HB1 LEU 1 1.004 -7.319 -1.214 8 HG LEU 1 HG LEU 1 3.901 -8.216 -1.186 9 HD11 LEU 1 HD11 LEU 1 3.201 -9.939 0.422 10 HD12 LEU 1 HD12 LEU 1 1.573 -9.262 0.454 11 HD13 LEU 1 HD13 LEU 1 2.929 -8.328 1.086 12 HD21 LEU 1 HD21 LEU 1 1.323 -9.320 -2.306 13 HD22 LEU 1 HD22 LEU 1 2.603 -10.430 -1.824 14 HD23 LEU 1 HD23 LEU 1 2.912 -9.221 -3.063 15 H GLY 2 HN GLY 2 2.463 -4.086 -1.221 16 HA2 GLY 2 HA2 GLY 2 1.388 -2.156 -2.588 17 HA3 GLY 2 HA1 GLY 2 -0.051 -3.162 -2.462 18 H LEU 3 HN LEU 3 1.318 -3.947 0.256 19 HA LEU 3 HA LEU 3 -0.208 -2.026 1.833 20 HB2 LEU 3 HB2 LEU 3 1.387 -4.459 2.676 21 HB3 LEU 3 HB1 LEU 3 0.322 -3.517 3.717 22 HG LEU 3 HG LEU 3 -0.560 -4.960 1.196 23 HD11 LEU 3 HD11 LEU 3 0.053 -6.583 2.886 24 HD12 LEU 3 HD12 LEU 3 -1.707 -6.483 2.842 25 HD13 LEU 3 HD13 LEU 3 -0.810 -5.681 4.131 26 HD21 LEU 3 HD21 LEU 3 -1.959 -3.247 3.250 27 HD22 LEU 3 HD22 LEU 3 -2.848 -4.542 2.450 28 HD23 LEU 3 HD23 LEU 3 -2.134 -3.247 1.496 29 H LEU 4 HN LEU 4 2.871 -2.166 0.604 30 HA LEU 4 HA LEU 4 4.482 -1.347 2.763 31 HB2 LEU 4 HB2 LEU 4 5.450 -2.132 0.669 32 HB3 LEU 4 HB1 LEU 4 4.738 -0.778 -0.202 33 HG LEU 4 HG LEU 4 6.116 0.804 1.061 34 HD11 LEU 4 HD11 LEU 4 6.878 -1.682 2.590 35 HD12 LEU 4 HD12 LEU 4 6.392 -0.105 3.211 36 HD13 LEU 4 HD13 LEU 4 7.991 -0.316 2.505 37 HD21 LEU 4 HD21 LEU 4 7.808 -1.505 0.059 38 HD22 LEU 4 HD22 LEU 4 8.281 0.192 0.140 39 HD23 LEU 4 HD23 LEU 4 7.026 -0.320 -0.988 40 H SER 5 HN SER 5 2.591 0.504 0.399 41 HA SER 5 HA SER 5 3.406 3.076 1.204 42 HB2 SER 5 HB2 SER 5 2.258 2.927 -0.858 43 HB3 SER 5 HB1 SER 5 0.916 2.039 -0.143 44 HG SER 5 HG SER 5 1.648 4.748 0.288 45 H TYR 6 HN TYR 6 0.725 1.021 2.290 46 HA TYR 6 HA TYR 6 -0.330 2.956 4.113 47 HB2 TYR 6 HB2 TYR 6 -0.717 -0.037 3.923 48 HB3 TYR 6 HB1 TYR 6 -1.623 1.017 5.010 49 HD1 TYR 6 HD1 TYR 6 -0.983 0.150 1.472 50 HD2 TYR 6 HD2 TYR 6 -3.311 2.542 4.177 51 HE1 TYR 6 HE1 TYR 6 -2.543 0.713 -0.369 52 HE2 TYR 6 HE2 TYR 6 -4.871 3.107 2.334 53 HH TYR 6 HH TYR 6 -5.500 2.559 0.225 54 H GLY 7 HN GLY 7 2.602 1.832 4.215 55 HA2 GLY 7 HA2 GLY 7 4.136 1.883 5.970 56 HA3 GLY 7 HA1 GLY 7 2.795 2.002 7.105 57 H ALA 8 HN ALA 8 2.817 -0.496 4.680 58 HA ALA 8 HA ALA 8 2.884 -2.785 4.848 59 HB1 ALA 8 HB1 ALA 8 4.685 -3.740 6.123 60 HB2 ALA 8 HB2 ALA 8 4.811 -2.298 7.128 61 HB3 ALA 8 HB3 ALA 8 5.267 -2.230 5.426 62 H GLY 9 HN GLY 9 3.432 -2.037 8.284 63 HA2 GLY 9 HA2 GLY 9 0.690 -2.629 8.978 64 HA3 GLY 9 HA1 GLY 9 1.826 -3.885 9.447 65 H VAL 10 HN VAL 10 3.198 -0.786 9.429 66 HA VAL 10 HA VAL 10 3.622 -0.815 12.254 67 HB VAL 10 HB VAL 10 4.864 1.202 11.906 68 HG11 VAL 10 HG11 VAL 10 6.453 0.444 10.275 69 HG12 VAL 10 HG12 VAL 10 5.217 -0.473 9.413 70 HG13 VAL 10 HG13 VAL 10 5.751 -1.000 11.009 71 HG21 VAL 10 HG21 VAL 10 4.831 2.216 9.537 72 HG22 VAL 10 HG22 VAL 10 3.437 2.546 10.563 73 HG23 VAL 10 HG23 VAL 10 3.334 1.315 9.304 74 H ALA 11 HN ALA 11 1.638 1.180 10.084 75 HA ALA 11 HA ALA 11 0.505 2.669 12.318 76 HB1 ALA 11 HB1 ALA 11 0.860 3.954 10.341 77 HB2 ALA 11 HB2 ALA 11 -0.883 3.706 10.455 78 HB3 ALA 11 HB3 ALA 11 0.075 2.741 9.330 79 H SER 12 HN SER 12 0.099 -0.336 11.305 80 HA SER 12 HA SER 12 -2.839 -0.405 11.309 81 HB2 SER 12 HB2 SER 12 -0.736 -2.509 10.788 82 HB3 SER 12 HB1 SER 12 -2.464 -2.840 10.816 83 HG SER 12 HG SER 12 -2.687 -1.261 9.159 84 H LEU 13 HN LEU 13 -1.275 0.267 13.736 85 HA LEU 13 HA LEU 13 -2.634 -1.555 15.512 86 HB2 LEU 13 HB2 LEU 13 0.135 -2.018 14.862 87 HB3 LEU 13 HB1 LEU 13 0.048 -1.535 16.552 88 HG LEU 13 HG LEU 13 -1.748 -3.687 15.394 89 HD11 LEU 13 HD11 LEU 13 -0.096 -5.261 16.522 90 HD12 LEU 13 HD12 LEU 13 1.020 -3.897 16.603 91 HD13 LEU 13 HD13 LEU 13 0.477 -4.501 15.037 92 HD21 LEU 13 HD21 LEU 13 -0.800 -3.144 18.226 93 HD22 LEU 13 HD22 LEU 13 -2.038 -4.294 17.728 94 HD23 LEU 13 HD23 LEU 13 -2.334 -2.563 17.583 95 HA PRO 14 HA PRO 14 -0.612 2.058 18.084 96 HB2 PRO 14 HB2 PRO 14 0.033 3.951 15.857 97 HB3 PRO 14 HB1 PRO 14 0.931 3.622 17.352 98 HG2 PRO 14 HG2 PRO 14 1.791 2.699 15.013 99 HG3 PRO 14 HG1 PRO 14 1.929 1.720 16.487 100 HD2 PRO 14 HD2 PRO 14 -0.052 1.477 14.243 101 HD3 PRO 14 HD1 PRO 14 0.766 0.200 15.165 102 H LEU 15 HN LEU 15 -1.983 3.229 14.991 103 HA LEU 15 HA LEU 15 -3.715 5.131 16.168 104 HB2 LEU 15 HB2 LEU 15 -3.631 3.776 13.479 105 HB3 LEU 15 HB1 LEU 15 -4.924 4.896 13.889 106 HG LEU 15 HG LEU 15 -2.003 5.639 14.195 107 HD11 LEU 15 HD11 LEU 15 -2.445 4.978 11.844 108 HD12 LEU 15 HD12 LEU 15 -2.143 6.709 11.989 109 HD13 LEU 15 HD13 LEU 15 -3.792 6.115 11.791 110 HD21 LEU 15 HD21 LEU 15 -4.626 7.154 14.125 111 HD22 LEU 15 HD22 LEU 15 -3.102 7.962 13.774 112 HD23 LEU 15 HD23 LEU 15 -3.357 7.218 15.345 113 H LEU 16 HN LEU 16 -4.182 1.782 15.137 114 HA LEU 16 HA LEU 16 -6.957 1.635 15.645 115 HB2 LEU 16 HB2 LEU 16 -4.844 -0.532 15.700 116 HB3 LEU 16 HB1 LEU 16 -6.582 -0.821 15.695 117 HG LEU 16 HG LEU 16 -5.068 0.675 13.531 118 HD11 LEU 16 HD11 LEU 16 -6.356 -2.047 13.300 119 HD12 LEU 16 HD12 LEU 16 -4.671 -1.860 13.786 120 HD13 LEU 16 HD13 LEU 16 -5.202 -1.288 12.204 121 HD21 LEU 16 HD21 LEU 16 -7.368 0.075 12.343 122 HD22 LEU 16 HD22 LEU 16 -7.245 1.501 13.365 123 HD23 LEU 16 HD23 LEU 16 -7.972 0.025 14.001 124 H ASN 17 HN ASN 17 -4.121 1.005 17.642 125 HA ASN 17 HA ASN 17 -5.442 -0.063 19.887 126 HB2 ASN 17 HB2 ASN 17 -2.829 1.403 19.536 127 HB3 ASN 17 HB1 ASN 17 -3.371 0.852 21.120 128 HD21 ASN 17 HD21 ASN 17 -1.018 -0.242 19.949 129 HD22 ASN 17 HD22 ASN 17 -1.318 -1.864 19.547 130 H VAL 18 HN VAL 18 -4.671 3.287 18.991 131 HA VAL 18 HA VAL 18 -5.539 4.493 21.399 132 HB VAL 18 HB VAL 18 -5.394 5.551 18.565 133 HG11 VAL 18 HG11 VAL 18 -5.446 7.805 19.780 134 HG12 VAL 18 HG12 VAL 18 -6.059 6.924 21.180 135 HG13 VAL 18 HG13 VAL 18 -6.984 6.946 19.677 136 HG21 VAL 18 HG21 VAL 18 -3.323 6.528 19.269 137 HG22 VAL 18 HG22 VAL 18 -3.281 4.851 19.812 138 HG23 VAL 18 HG23 VAL 18 -3.638 6.141 20.960 139 H ILE 19 HN ILE 19 -7.204 3.849 18.326 140 HA ILE 19 HA ILE 19 -9.709 4.937 19.082 141 HB ILE 19 HB ILE 19 -8.955 2.845 17.027 142 HG12 ILE 19 HG12 ILE 19 -9.783 5.738 16.682 143 HG13 ILE 19 HG11 ILE 19 -8.100 5.226 16.809 144 HG21 ILE 19 HG21 ILE 19 -11.594 4.218 17.604 145 HG22 ILE 19 HG22 ILE 19 -11.278 2.484 17.518 146 HG23 ILE 19 HG23 ILE 19 -11.228 3.463 16.053 147 HD11 ILE 19 HD11 ILE 19 -8.688 5.387 14.455 148 HD12 ILE 19 HD12 ILE 19 -10.096 4.354 14.700 149 HD13 ILE 19 HD13 ILE 19 -8.473 3.687 14.871 150 H ALA 20 HN ALA 20 -8.350 1.673 19.212 151 HA ALA 20 HA ALA 20 -10.737 0.555 20.428 152 HB1 ALA 20 HB1 ALA 20 -9.480 -0.890 18.975 153 HB2 ALA 20 HB2 ALA 20 -9.289 -1.500 20.619 154 HB3 ALA 20 HB3 ALA 20 -7.989 -0.576 19.865 155 HN1 NH2 21 H2 NH2 21 -8.304 1.911 23.272 156 HN2 NH2 21 H1 NH2 21 -8.291 2.473 21.671 Start of MODEL 9 1 H1 ACE 0 HA2 ACE 0 2.460 -3.284 -3.796 2 H2 ACE 0 HA3 ACE 0 1.726 -2.954 -2.227 3 H3 ACE 0 HA1 ACE 0 0.722 -3.485 -3.577 4 H LEU 1 HN LEU 1 3.866 -4.699 -2.473 5 HA LEU 1 HA LEU 1 3.189 -7.419 -2.778 6 HB2 LEU 1 HB2 LEU 1 5.346 -6.056 -1.159 7 HB3 LEU 1 HB1 LEU 1 5.250 -7.802 -1.365 8 HG LEU 1 HG LEU 1 5.354 -5.857 -3.689 9 HD11 LEU 1 HD11 LEU 1 7.385 -5.657 -2.293 10 HD12 LEU 1 HD12 LEU 1 7.747 -6.401 -3.850 11 HD13 LEU 1 HD13 LEU 1 7.627 -7.402 -2.401 12 HD21 LEU 1 HD21 LEU 1 5.502 -8.861 -3.393 13 HD22 LEU 1 HD22 LEU 1 6.314 -8.076 -4.745 14 HD23 LEU 1 HD23 LEU 1 4.576 -7.902 -4.546 15 H GLY 2 HN GLY 2 3.183 -5.273 0.039 16 HA2 GLY 2 HA2 GLY 2 1.052 -6.166 1.411 17 HA3 GLY 2 HA1 GLY 2 2.262 -7.381 1.818 18 H LEU 3 HN LEU 3 4.495 -5.559 1.725 19 HA LEU 3 HA LEU 3 4.529 -4.698 4.413 20 HB2 LEU 3 HB2 LEU 3 6.291 -3.890 2.085 21 HB3 LEU 3 HB1 LEU 3 6.648 -3.570 3.781 22 HG LEU 3 HG LEU 3 6.253 -6.325 2.575 23 HD11 LEU 3 HD11 LEU 3 8.729 -4.754 3.322 24 HD12 LEU 3 HD12 LEU 3 8.318 -5.436 1.748 25 HD13 LEU 3 HD13 LEU 3 8.741 -6.500 3.088 26 HD21 LEU 3 HD21 LEU 3 5.717 -6.643 4.819 27 HD22 LEU 3 HD22 LEU 3 6.730 -5.310 5.369 28 HD23 LEU 3 HD23 LEU 3 7.464 -6.841 4.897 29 H LEU 4 HN LEU 4 3.974 -2.988 1.374 30 HA LEU 4 HA LEU 4 3.902 -0.366 2.406 31 HB2 LEU 4 HB2 LEU 4 2.663 -1.663 -0.018 32 HB3 LEU 4 HB1 LEU 4 2.433 0.048 0.332 33 HG LEU 4 HG LEU 4 5.153 -1.276 0.138 34 HD11 LEU 4 HD11 LEU 4 3.530 0.196 -1.955 35 HD12 LEU 4 HD12 LEU 4 4.130 -1.461 -2.030 36 HD13 LEU 4 HD13 LEU 4 5.261 -0.110 -2.099 37 HD21 LEU 4 HD21 LEU 4 5.595 0.706 1.255 38 HD22 LEU 4 HD22 LEU 4 4.178 1.529 0.604 39 HD23 LEU 4 HD23 LEU 4 5.616 1.325 -0.392 40 H SER 5 HN SER 5 1.399 -2.840 2.043 41 HA SER 5 HA SER 5 -0.824 -1.262 2.731 42 HB2 SER 5 HB2 SER 5 -0.759 -3.660 1.799 43 HB3 SER 5 HB1 SER 5 -0.545 -4.171 3.470 44 HG SER 5 HG SER 5 -2.782 -3.456 2.209 45 H TYR 6 HN TYR 6 1.358 -3.211 4.765 46 HA TYR 6 HA TYR 6 0.012 -2.629 7.210 47 HB2 TYR 6 HB2 TYR 6 2.842 -3.552 6.664 48 HB3 TYR 6 HB1 TYR 6 2.135 -3.423 8.274 49 HD1 TYR 6 HD2 TYR 6 -0.286 -4.562 8.487 50 HD2 TYR 6 HD1 TYR 6 2.706 -5.631 5.597 51 HE1 TYR 6 HE2 TYR 6 -1.347 -6.788 8.208 52 HE2 TYR 6 HE1 TYR 6 1.643 -7.850 5.314 53 HH TYR 6 HH TYR 6 -0.427 -8.950 5.661 54 H GLY 7 HN GLY 7 2.707 -1.152 5.472 55 HA2 GLY 7 HA2 GLY 7 3.075 0.874 7.563 56 HA3 GLY 7 HA1 GLY 7 4.088 0.637 6.143 57 H ALA 8 HN ALA 8 0.782 0.562 5.399 58 HA ALA 8 HA ALA 8 0.841 2.757 3.677 59 HB1 ALA 8 HB1 ALA 8 -1.558 2.543 3.546 60 HB2 ALA 8 HB2 ALA 8 -1.614 1.689 5.089 61 HB3 ALA 8 HB3 ALA 8 -0.875 0.922 3.682 62 H GLY 9 HN GLY 9 1.910 4.391 4.956 63 HA2 GLY 9 HA2 GLY 9 1.634 6.553 5.824 64 HA3 GLY 9 HA1 GLY 9 0.006 6.121 6.344 65 H VAL 10 HN VAL 10 1.575 3.573 7.319 66 HA VAL 10 HA VAL 10 2.324 2.756 9.323 67 HB VAL 10 HB VAL 10 3.593 5.490 9.536 68 HG11 VAL 10 HG11 VAL 10 3.884 2.924 11.090 69 HG12 VAL 10 HG12 VAL 10 3.767 4.578 11.690 70 HG13 VAL 10 HG13 VAL 10 5.256 4.021 10.931 71 HG21 VAL 10 HG21 VAL 10 4.677 2.860 8.477 72 HG22 VAL 10 HG22 VAL 10 5.567 4.379 8.579 73 HG23 VAL 10 HG23 VAL 10 4.198 4.231 7.477 74 H ALA 11 HN ALA 11 0.188 5.301 9.124 75 HA ALA 11 HA ALA 11 -0.193 5.636 12.007 76 HB1 ALA 11 HB1 ALA 11 -0.441 7.665 10.800 77 HB2 ALA 11 HB2 ALA 11 -2.083 7.156 11.194 78 HB3 ALA 11 HB3 ALA 11 -1.447 6.901 9.568 79 H SER 12 HN SER 12 -1.007 3.395 9.756 80 HA SER 12 HA SER 12 -3.782 2.980 10.537 81 HB2 SER 12 HB2 SER 12 -3.785 1.207 8.926 82 HB3 SER 12 HB1 SER 12 -2.905 2.554 8.213 83 HG SER 12 HG SER 12 -1.975 0.103 9.204 84 H LEU 13 HN LEU 13 -0.797 2.191 11.873 85 HA LEU 13 HA LEU 13 -1.846 -0.273 13.132 86 HB2 LEU 13 HB2 LEU 13 0.743 0.448 12.082 87 HB3 LEU 13 HB1 LEU 13 0.915 0.100 13.796 88 HG LEU 13 HG LEU 13 1.262 -1.927 12.481 89 HD11 LEU 13 HD11 LEU 13 -1.450 -2.489 13.607 90 HD12 LEU 13 HD12 LEU 13 -0.252 -1.807 14.707 91 HD13 LEU 13 HD13 LEU 13 0.082 -3.317 13.867 92 HD21 LEU 13 HD21 LEU 13 -0.194 -2.738 10.855 93 HD22 LEU 13 HD22 LEU 13 -0.382 -1.002 10.624 94 HD23 LEU 13 HD23 LEU 13 -1.595 -1.909 11.530 95 HA PRO 14 HA PRO 14 -0.126 2.431 16.834 96 HB2 PRO 14 HB2 PRO 14 -0.570 5.138 15.631 97 HB3 PRO 14 HB1 PRO 14 0.729 4.581 16.704 98 HG2 PRO 14 HG2 PRO 14 1.163 4.981 14.107 99 HG3 PRO 14 HG1 PRO 14 1.935 3.640 14.974 100 HD2 PRO 14 HD2 PRO 14 -0.387 3.568 13.075 101 HD3 PRO 14 HD1 PRO 14 0.923 2.395 13.303 102 H LEU 15 HN LEU 15 -2.533 4.085 14.770 103 HA LEU 15 HA LEU 15 -4.282 4.797 16.872 104 HB2 LEU 15 HB2 LEU 15 -4.745 4.423 13.910 105 HB3 LEU 15 HB1 LEU 15 -5.972 5.048 15.008 106 HG LEU 15 HG LEU 15 -3.213 6.262 14.670 107 HD11 LEU 15 HD11 LEU 15 -4.302 6.610 12.589 108 HD12 LEU 15 HD12 LEU 15 -4.586 8.096 13.495 109 HD13 LEU 15 HD13 LEU 15 -5.865 6.888 13.362 110 HD21 LEU 15 HD21 LEU 15 -4.689 8.262 15.683 111 HD22 LEU 15 HD22 LEU 15 -3.920 7.076 16.729 112 HD23 LEU 15 HD23 LEU 15 -5.631 6.922 16.334 113 H LEU 16 HN LEU 16 -4.209 2.003 14.697 114 HA LEU 16 HA LEU 16 -6.624 0.834 15.572 115 HB2 LEU 16 HB2 LEU 16 -4.170 -0.214 14.183 116 HB3 LEU 16 HB1 LEU 16 -5.440 -1.323 14.686 117 HG LEU 16 HG LEU 16 -5.626 -0.453 12.303 118 HD11 LEU 16 HD11 LEU 16 -7.589 -1.243 13.890 119 HD12 LEU 16 HD12 LEU 16 -7.949 -0.492 12.339 120 HD13 LEU 16 HD13 LEU 16 -8.064 0.456 13.819 121 HD21 LEU 16 HD21 LEU 16 -6.535 2.112 13.629 122 HD22 LEU 16 HD22 LEU 16 -6.296 1.810 11.910 123 HD23 LEU 16 HD23 LEU 16 -4.906 1.894 12.992 124 H ASN 17 HN ASN 17 -3.283 0.490 16.695 125 HA ASN 17 HA ASN 17 -3.715 -1.630 18.498 126 HB2 ASN 17 HB2 ASN 17 -1.475 -0.854 17.801 127 HB3 ASN 17 HB1 ASN 17 -1.721 0.636 18.711 128 HD21 ASN 17 HD21 ASN 17 0.080 0.083 20.168 129 HD22 ASN 17 HD22 ASN 17 -0.101 -1.125 21.345 130 H VAL 18 HN VAL 18 -3.961 1.888 18.904 131 HA VAL 18 HA VAL 18 -4.467 1.871 21.690 132 HB VAL 18 HB VAL 18 -5.241 3.843 19.526 133 HG11 VAL 18 HG11 VAL 18 -5.528 3.952 22.534 134 HG12 VAL 18 HG12 VAL 18 -6.763 4.249 21.311 135 HG13 VAL 18 HG13 VAL 18 -5.458 5.411 21.544 136 HG21 VAL 18 HG21 VAL 18 -3.330 5.100 20.335 137 HG22 VAL 18 HG22 VAL 18 -2.797 3.455 19.989 138 HG23 VAL 18 HG23 VAL 18 -3.083 3.956 21.655 139 H ILE 19 HN ILE 19 -6.629 1.889 18.873 140 HA ILE 19 HA ILE 19 -9.062 1.870 20.326 141 HB ILE 19 HB ILE 19 -8.380 0.934 17.527 142 HG12 ILE 19 HG12 ILE 19 -9.852 3.409 18.463 143 HG13 ILE 19 HG11 ILE 19 -8.110 3.385 18.183 144 HG21 ILE 19 HG21 ILE 19 -10.883 1.191 17.182 145 HG22 ILE 19 HG22 ILE 19 -11.045 1.263 18.935 146 HG23 ILE 19 HG23 ILE 19 -10.416 -0.195 18.167 147 HD11 ILE 19 HD11 ILE 19 -8.459 2.731 15.855 148 HD12 ILE 19 HD12 ILE 19 -9.378 4.197 16.199 149 HD13 ILE 19 HD13 ILE 19 -10.201 2.640 16.116 150 H ALA 20 HN ALA 20 -7.045 -0.693 18.953 151 HA ALA 20 HA ALA 20 -8.746 -2.860 19.649 152 HB1 ALA 20 HB1 ALA 20 -5.741 -2.950 19.331 153 HB2 ALA 20 HB2 ALA 20 -6.862 -2.911 17.969 154 HB3 ALA 20 HB3 ALA 20 -6.888 -4.270 19.094 155 HN1 NH2 21 H2 NH2 21 -6.031 -2.611 22.729 156 HN2 NH2 21 H1 NH2 21 -5.553 -2.139 21.170 Start of MODEL 10 1 H1 ACE 0 HA2 ACE 0 7.985 -7.441 2.695 2 H2 ACE 0 HA3 ACE 0 6.770 -7.128 3.934 3 H3 ACE 0 HA1 ACE 0 6.931 -6.033 2.560 4 H LEU 1 HN LEU 1 4.827 -8.086 3.723 5 HA LEU 1 HA LEU 1 4.338 -10.000 1.705 6 HB2 LEU 1 HB2 LEU 1 2.498 -8.683 3.710 7 HB3 LEU 1 HB1 LEU 1 1.998 -10.002 2.656 8 HG LEU 1 HG LEU 1 4.376 -10.168 4.527 9 HD11 LEU 1 HD11 LEU 1 2.789 -11.626 5.892 10 HD12 LEU 1 HD12 LEU 1 1.480 -10.950 4.921 11 HD13 LEU 1 HD13 LEU 1 2.464 -9.893 5.934 12 HD21 LEU 1 HD21 LEU 1 4.693 -11.892 2.986 13 HD22 LEU 1 HD22 LEU 1 2.968 -12.088 2.679 14 HD23 LEU 1 HD23 LEU 1 3.678 -12.716 4.163 15 H GLY 2 HN GLY 2 3.166 -6.689 2.172 16 HA2 GLY 2 HA2 GLY 2 3.021 -5.715 -0.299 17 HA3 GLY 2 HA1 GLY 2 1.621 -6.782 -0.309 18 H LEU 3 HN LEU 3 1.493 -6.170 2.711 19 HA LEU 3 HA LEU 3 -0.333 -3.906 2.441 20 HB2 LEU 3 HB2 LEU 3 0.320 -5.669 4.814 21 HB3 LEU 3 HB1 LEU 3 -0.934 -4.432 4.781 22 HG LEU 3 HG LEU 3 -0.819 -6.829 2.924 23 HD11 LEU 3 HD11 LEU 3 -1.275 -7.477 5.257 24 HD12 LEU 3 HD12 LEU 3 -2.721 -7.663 4.265 25 HD13 LEU 3 HD13 LEU 3 -2.565 -6.277 5.345 26 HD21 LEU 3 HD21 LEU 3 -3.340 -6.015 2.700 27 HD22 LEU 3 HD22 LEU 3 -2.078 -5.249 1.743 28 HD23 LEU 3 HD23 LEU 3 -2.670 -4.463 3.208 29 H LEU 4 HN LEU 4 2.904 -4.222 2.915 30 HA LEU 4 HA LEU 4 3.445 -2.519 5.094 31 HB2 LEU 4 HB2 LEU 4 5.177 -3.928 4.109 32 HB3 LEU 4 HB1 LEU 4 5.054 -3.055 2.585 33 HG LEU 4 HG LEU 4 5.859 -1.003 3.646 34 HD11 LEU 4 HD11 LEU 4 5.043 -1.020 5.853 35 HD12 LEU 4 HD12 LEU 4 6.762 -1.323 6.081 36 HD13 LEU 4 HD13 LEU 4 5.614 -2.661 6.155 37 HD21 LEU 4 HD21 LEU 4 8.141 -1.737 4.179 38 HD22 LEU 4 HD22 LEU 4 7.512 -2.649 2.806 39 HD23 LEU 4 HD23 LEU 4 7.569 -3.391 4.405 40 H SER 5 HN SER 5 2.961 -1.883 1.647 41 HA SER 5 HA SER 5 3.362 0.972 1.942 42 HB2 SER 5 HB2 SER 5 4.018 -0.019 -0.148 43 HB3 SER 5 HB1 SER 5 2.431 -0.754 -0.360 44 HG SER 5 HG SER 5 3.277 1.845 -0.784 45 H TYR 6 HN TYR 6 0.976 -0.907 3.013 46 HA TYR 6 HA TYR 6 -1.414 0.143 1.977 47 HB2 TYR 6 HB2 TYR 6 -1.323 -1.856 3.411 48 HB3 TYR 6 HB1 TYR 6 -0.845 -0.851 4.780 49 HD1 TYR 6 HD1 TYR 6 -2.420 0.726 5.808 50 HD2 TYR 6 HD2 TYR 6 -3.592 -1.819 2.553 51 HE1 TYR 6 HE1 TYR 6 -4.806 1.201 6.296 52 HE2 TYR 6 HE2 TYR 6 -5.974 -1.347 3.038 53 HH TYR 6 HH TYR 6 -7.178 -0.413 5.615 54 H GLY 7 HN GLY 7 0.540 1.171 4.769 55 HA2 GLY 7 HA2 GLY 7 -0.827 3.810 4.682 56 HA3 GLY 7 HA1 GLY 7 -0.457 3.002 6.203 57 H ALA 8 HN ALA 8 2.073 2.071 4.531 58 HA ALA 8 HA ALA 8 4.303 2.655 4.672 59 HB1 ALA 8 HB1 ALA 8 3.024 5.137 3.518 60 HB2 ALA 8 HB2 ALA 8 3.799 3.815 2.643 61 HB3 ALA 8 HB3 ALA 8 4.770 4.913 3.623 62 H GLY 9 HN GLY 9 2.364 3.474 6.958 63 HA2 GLY 9 HA2 GLY 9 3.900 4.118 8.998 64 HA3 GLY 9 HA1 GLY 9 3.875 5.679 8.180 65 H VAL 10 HN VAL 10 1.117 5.218 7.201 66 HA VAL 10 HA VAL 10 -0.289 6.463 9.320 67 HB VAL 10 HB VAL 10 -1.303 5.110 6.807 68 HG11 VAL 10 HG11 VAL 10 -3.176 5.204 8.257 69 HG12 VAL 10 HG12 VAL 10 -3.304 6.676 7.295 70 HG13 VAL 10 HG13 VAL 10 -2.677 6.751 8.943 71 HG21 VAL 10 HG21 VAL 10 0.224 7.064 6.504 72 HG22 VAL 10 HG22 VAL 10 -0.865 8.036 7.494 73 HG23 VAL 10 HG23 VAL 10 -1.414 7.397 5.944 74 H ALA 11 HN ALA 11 -0.247 3.137 8.100 75 HA ALA 11 HA ALA 11 -2.284 2.034 9.645 76 HB1 ALA 11 HB1 ALA 11 0.321 0.679 8.941 77 HB2 ALA 11 HB2 ALA 11 -1.015 0.886 7.811 78 HB3 ALA 11 HB3 ALA 11 -1.229 -0.096 9.262 79 H SER 12 HN SER 12 0.462 3.565 10.741 80 HA SER 12 HA SER 12 0.982 1.895 13.052 81 HB2 SER 12 HB2 SER 12 2.729 3.409 13.557 82 HB3 SER 12 HB1 SER 12 2.718 3.278 11.801 83 HG SER 12 HG SER 12 2.756 5.429 12.239 84 H LEU 13 HN LEU 13 -1.686 3.393 12.563 85 HA LEU 13 HA LEU 13 -1.911 4.352 15.330 86 HB2 LEU 13 HB2 LEU 13 -1.915 6.086 13.028 87 HB3 LEU 13 HB1 LEU 13 -3.526 6.118 13.736 88 HG LEU 13 HG LEU 13 -1.029 6.481 15.414 89 HD11 LEU 13 HD11 LEU 13 -0.885 8.291 13.892 90 HD12 LEU 13 HD12 LEU 13 -1.734 8.963 15.284 91 HD13 LEU 13 HD13 LEU 13 -2.635 8.497 13.840 92 HD21 LEU 13 HD21 LEU 13 -2.636 7.516 16.970 93 HD22 LEU 13 HD22 LEU 13 -3.154 5.881 16.565 94 HD23 LEU 13 HD23 LEU 13 -3.938 7.268 15.807 95 HA PRO 14 HA PRO 14 -6.384 3.397 13.631 96 HB2 PRO 14 HB2 PRO 14 -5.640 1.633 11.327 97 HB3 PRO 14 HB1 PRO 14 -6.981 2.787 11.474 98 HG2 PRO 14 HG2 PRO 14 -4.854 3.365 10.001 99 HG3 PRO 14 HG1 PRO 14 -5.637 4.609 10.994 100 HD2 PRO 14 HD2 PRO 14 -3.094 3.106 11.519 101 HD3 PRO 14 HD1 PRO 14 -3.473 4.811 11.829 102 H LEU 15 HN LEU 15 -3.954 0.878 12.874 103 HA LEU 15 HA LEU 15 -5.410 -1.267 14.008 104 HB2 LEU 15 HB2 LEU 15 -2.460 -0.897 13.467 105 HB3 LEU 15 HB1 LEU 15 -3.152 -2.411 14.038 106 HG LEU 15 HG LEU 15 -4.114 -0.995 11.535 107 HD11 LEU 15 HD11 LEU 15 -1.748 -1.572 11.261 108 HD12 LEU 15 HD12 LEU 15 -2.747 -2.653 10.291 109 HD13 LEU 15 HD13 LEU 15 -2.067 -3.217 11.816 110 HD21 LEU 15 HD21 LEU 15 -4.605 -3.695 12.804 111 HD22 LEU 15 HD22 LEU 15 -4.781 -3.493 11.064 112 HD23 LEU 15 HD23 LEU 15 -5.778 -2.548 12.159 113 H LEU 16 HN LEU 16 -2.897 0.860 15.312 114 HA LEU 16 HA LEU 16 -2.687 -0.406 17.837 115 HB2 LEU 16 HB2 LEU 16 -2.207 2.519 17.246 116 HB3 LEU 16 HB1 LEU 16 -1.500 1.557 18.542 117 HG LEU 16 HG LEU 16 -1.039 1.167 15.569 118 HD11 LEU 16 HD11 LEU 16 1.099 2.080 15.890 119 HD12 LEU 16 HD12 LEU 16 1.057 1.828 17.635 120 HD13 LEU 16 HD13 LEU 16 0.093 3.112 16.906 121 HD21 LEU 16 HD21 LEU 16 -0.911 -1.009 16.473 122 HD22 LEU 16 HD22 LEU 16 -0.229 -0.438 17.997 123 HD23 LEU 16 HD23 LEU 16 0.761 -0.453 16.537 124 H ASN 17 HN ASN 17 -4.731 2.167 16.577 125 HA ASN 17 HA ASN 17 -5.890 3.007 18.998 126 HB2 ASN 17 HB2 ASN 17 -6.908 3.027 16.153 127 HB3 ASN 17 HB1 ASN 17 -7.791 3.758 17.494 128 HD21 ASN 17 HD21 ASN 17 -6.776 5.337 15.320 129 HD22 ASN 17 HD22 ASN 17 -5.551 6.343 15.927 130 H VAL 18 HN VAL 18 -6.806 0.439 16.725 131 HA VAL 18 HA VAL 18 -9.238 -0.280 17.981 132 HB VAL 18 HB VAL 18 -7.308 -1.895 16.296 133 HG11 VAL 18 HG11 VAL 18 -10.063 -2.544 17.368 134 HG12 VAL 18 HG12 VAL 18 -8.583 -3.489 17.541 135 HG13 VAL 18 HG13 VAL 18 -9.371 -3.364 15.968 136 HG21 VAL 18 HG21 VAL 18 -8.750 -1.368 14.476 137 HG22 VAL 18 HG22 VAL 18 -8.532 0.155 15.338 138 HG23 VAL 18 HG23 VAL 18 -10.017 -0.774 15.550 139 H ILE 19 HN ILE 19 -5.920 -1.492 18.327 140 HA ILE 19 HA ILE 19 -6.483 -3.464 20.280 141 HB ILE 19 HB ILE 19 -3.957 -1.909 19.670 142 HG12 ILE 19 HG12 ILE 19 -4.738 -3.323 17.821 143 HG13 ILE 19 HG11 ILE 19 -3.272 -3.991 18.528 144 HG21 ILE 19 HG21 ILE 19 -4.479 -4.201 21.560 145 HG22 ILE 19 HG22 ILE 19 -3.635 -2.685 21.877 146 HG23 ILE 19 HG23 ILE 19 -2.879 -3.919 20.870 147 HD11 ILE 19 HD11 ILE 19 -5.038 -5.371 19.996 148 HD12 ILE 19 HD12 ILE 19 -4.555 -5.912 18.393 149 HD13 ILE 19 HD13 ILE 19 -6.072 -5.044 18.607 150 H ALA 20 HN ALA 20 -5.482 -0.074 20.499 151 HA ALA 20 HA ALA 20 -5.509 -0.093 23.397 152 HB1 ALA 20 HB1 ALA 20 -3.920 1.371 22.407 153 HB2 ALA 20 HB2 ALA 20 -5.187 2.415 23.051 154 HB3 ALA 20 HB3 ALA 20 -5.124 2.068 21.323 155 HN1 NH2 21 H2 NH2 21 -9.097 1.028 21.945 156 HN2 NH2 21 H1 NH2 21 -7.905 0.348 20.946 Start of MODEL 11 1 H1 ACE 0 HA2 ACE 0 2.088 -2.942 -5.741 2 H2 ACE 0 HA3 ACE 0 3.192 -4.119 -6.456 3 H3 ACE 0 HA1 ACE 0 3.787 -2.530 -5.975 4 H LEU 1 HN LEU 1 4.912 -4.951 -5.112 5 HA LEU 1 HA LEU 1 4.001 -5.823 -2.589 6 HB2 LEU 1 HB2 LEU 1 6.766 -5.867 -3.826 7 HB3 LEU 1 HB1 LEU 1 6.329 -6.700 -2.335 8 HG LEU 1 HG LEU 1 4.331 -7.586 -4.048 9 HD11 LEU 1 HD11 LEU 1 6.866 -7.587 -5.700 10 HD12 LEU 1 HD12 LEU 1 5.574 -6.413 -5.935 11 HD13 LEU 1 HD13 LEU 1 5.260 -8.128 -6.182 12 HD21 LEU 1 HD21 LEU 1 7.051 -8.752 -3.401 13 HD22 LEU 1 HD22 LEU 1 5.829 -9.659 -4.293 14 HD23 LEU 1 HD23 LEU 1 5.500 -9.123 -2.646 15 H GLY 2 HN GLY 2 6.295 -3.306 -3.548 16 HA2 GLY 2 HA2 GLY 2 7.188 -2.637 -0.944 17 HA3 GLY 2 HA1 GLY 2 7.287 -1.601 -2.370 18 H LEU 3 HN LEU 3 4.475 -1.640 -2.927 19 HA LEU 3 HA LEU 3 3.682 0.558 -1.358 20 HB2 LEU 3 HB2 LEU 3 2.069 -1.206 -3.202 21 HB3 LEU 3 HB1 LEU 3 1.483 0.299 -2.496 22 HG LEU 3 HG LEU 3 3.960 0.060 -4.233 23 HD11 LEU 3 HD11 LEU 3 1.788 -0.387 -5.414 24 HD12 LEU 3 HD12 LEU 3 2.632 1.043 -6.006 25 HD13 LEU 3 HD13 LEU 3 1.247 1.219 -4.930 26 HD21 LEU 3 HD21 LEU 3 4.352 2.010 -3.027 27 HD22 LEU 3 HD22 LEU 3 2.637 2.321 -2.752 28 HD23 LEU 3 HD23 LEU 3 3.359 2.674 -4.321 29 H LEU 4 HN LEU 4 3.015 -2.887 -1.149 30 HA LEU 4 HA LEU 4 0.896 -2.741 0.723 31 HB2 LEU 4 HB2 LEU 4 2.946 -4.903 0.205 32 HB3 LEU 4 HB1 LEU 4 1.593 -5.094 1.315 33 HG LEU 4 HG LEU 4 1.305 -4.365 -1.617 34 HD11 LEU 4 HD11 LEU 4 0.878 -7.035 -0.241 35 HD12 LEU 4 HD12 LEU 4 2.245 -6.640 -1.281 36 HD13 LEU 4 HD13 LEU 4 0.614 -6.693 -1.950 37 HD21 LEU 4 HD21 LEU 4 -0.619 -4.821 0.655 38 HD22 LEU 4 HD22 LEU 4 -1.098 -5.342 -0.959 39 HD23 LEU 4 HD23 LEU 4 -0.699 -3.655 -0.665 40 H SER 5 HN SER 5 4.409 -2.860 1.118 41 HA SER 5 HA SER 5 4.289 -2.967 3.994 42 HB2 SER 5 HB2 SER 5 6.708 -2.689 3.892 43 HB3 SER 5 HB1 SER 5 6.197 -3.884 2.703 44 HG SER 5 HG SER 5 7.292 -2.624 1.406 45 H TYR 6 HN TYR 6 3.602 -0.575 1.828 46 HA TYR 6 HA TYR 6 4.856 1.733 2.826 47 HB2 TYR 6 HB2 TYR 6 3.460 1.470 0.723 48 HB3 TYR 6 HB1 TYR 6 2.038 1.583 1.748 49 HD1 TYR 6 HD2 TYR 6 1.846 3.670 3.284 50 HD2 TYR 6 HD1 TYR 6 4.535 3.396 -0.055 51 HE1 TYR 6 HE2 TYR 6 2.017 6.142 3.214 52 HE2 TYR 6 HE1 TYR 6 4.700 5.858 -0.133 53 HH TYR 6 HH TYR 6 3.387 7.816 0.580 54 H GLY 7 HN GLY 7 1.755 0.221 3.679 55 HA2 GLY 7 HA2 GLY 7 1.770 0.606 6.389 56 HA3 GLY 7 HA1 GLY 7 1.149 2.125 5.748 57 H ALA 8 HN ALA 8 0.692 -1.364 5.117 58 HA ALA 8 HA ALA 8 -1.958 -1.123 4.187 59 HB1 ALA 8 HB1 ALA 8 -0.854 -3.567 5.569 60 HB2 ALA 8 HB2 ALA 8 -0.364 -3.110 3.937 61 HB3 ALA 8 HB3 ALA 8 -2.053 -3.489 4.277 62 H GLY 9 HN GLY 9 -0.621 -1.635 7.419 63 HA2 GLY 9 HA2 GLY 9 -2.812 -0.491 8.751 64 HA3 GLY 9 HA1 GLY 9 -3.030 -2.238 8.756 65 H VAL 10 HN VAL 10 0.142 -0.803 8.754 66 HA VAL 10 HA VAL 10 0.988 -2.236 11.036 67 HB VAL 10 HB VAL 10 3.013 -0.854 10.883 68 HG11 VAL 10 HG11 VAL 10 3.625 -1.497 8.569 69 HG12 VAL 10 HG12 VAL 10 1.923 -1.793 8.217 70 HG13 VAL 10 HG13 VAL 10 2.765 -2.792 9.401 71 HG21 VAL 10 HG21 VAL 10 1.301 0.709 8.948 72 HG22 VAL 10 HG22 VAL 10 3.062 0.780 8.897 73 HG23 VAL 10 HG23 VAL 10 2.199 1.313 10.340 74 H ALA 11 HN ALA 11 0.068 1.161 10.569 75 HA ALA 11 HA ALA 11 0.320 1.700 13.440 76 HB1 ALA 11 HB1 ALA 11 -0.363 3.425 11.053 77 HB2 ALA 11 HB2 ALA 11 1.100 3.475 12.038 78 HB3 ALA 11 HB3 ALA 11 -0.438 4.010 12.715 79 H SER 12 HN SER 12 -1.885 0.296 11.469 80 HA SER 12 HA SER 12 -4.287 1.521 12.578 81 HB2 SER 12 HB2 SER 12 -5.495 0.048 11.105 82 HB3 SER 12 HB1 SER 12 -4.157 0.755 10.206 83 HG SER 12 HG SER 12 -4.489 -1.852 11.201 84 H LEU 13 HN LEU 13 -2.104 -0.741 13.661 85 HA LEU 13 HA LEU 13 -4.155 -2.304 15.116 86 HB2 LEU 13 HB2 LEU 13 -1.716 -3.027 13.765 87 HB3 LEU 13 HB1 LEU 13 -1.533 -3.436 15.466 88 HG LEU 13 HG LEU 13 -3.980 -4.242 13.864 89 HD11 LEU 13 HD11 LEU 13 -2.797 -6.519 13.834 90 HD12 LEU 13 HD12 LEU 13 -1.321 -5.635 14.221 91 HD13 LEU 13 HD13 LEU 13 -2.178 -5.301 12.718 92 HD21 LEU 13 HD21 LEU 13 -2.717 -5.243 16.441 93 HD22 LEU 13 HD22 LEU 13 -4.151 -5.934 15.681 94 HD23 LEU 13 HD23 LEU 13 -4.196 -4.293 16.321 95 HA PRO 14 HA PRO 14 -1.299 -0.993 18.633 96 HB2 PRO 14 HB2 PRO 14 0.885 0.554 18.235 97 HB3 PRO 14 HB1 PRO 14 0.896 -1.195 17.929 98 HG2 PRO 14 HG2 PRO 14 0.729 1.061 15.990 99 HG3 PRO 14 HG1 PRO 14 1.551 -0.500 15.837 100 HD2 PRO 14 HD2 PRO 14 -0.968 0.123 14.748 101 HD3 PRO 14 HD1 PRO 14 -0.324 -1.517 14.968 102 H LEU 15 HN LEU 15 -0.751 1.895 16.586 103 HA LEU 15 HA LEU 15 -1.438 3.751 18.587 104 HB2 LEU 15 HB2 LEU 15 -1.393 3.995 15.576 105 HB3 LEU 15 HB1 LEU 15 -1.643 5.362 16.659 106 HG LEU 15 HG LEU 15 0.767 3.523 16.786 107 HD11 LEU 15 HD11 LEU 15 1.965 5.490 15.752 108 HD12 LEU 15 HD12 LEU 15 0.386 6.205 15.429 109 HD13 LEU 15 HD13 LEU 15 0.835 4.678 14.670 110 HD21 LEU 15 HD21 LEU 15 1.614 5.758 17.976 111 HD22 LEU 15 HD22 LEU 15 0.703 4.555 18.879 112 HD23 LEU 15 HD23 LEU 15 -0.108 5.997 18.270 113 H LEU 16 HN LEU 16 -3.362 2.341 15.969 114 HA LEU 16 HA LEU 16 -5.672 3.896 16.373 115 HB2 LEU 16 HB2 LEU 16 -5.314 2.588 14.347 116 HB3 LEU 16 HB1 LEU 16 -5.394 1.092 15.271 117 HG LEU 16 HG LEU 16 -7.731 1.568 15.873 118 HD11 LEU 16 HD11 LEU 16 -8.784 3.534 14.471 119 HD12 LEU 16 HD12 LEU 16 -7.136 4.160 14.450 120 HD13 LEU 16 HD13 LEU 16 -7.962 3.900 15.987 121 HD21 LEU 16 HD21 LEU 16 -7.053 1.780 12.926 122 HD22 LEU 16 HD22 LEU 16 -8.682 1.469 13.529 123 HD23 LEU 16 HD23 LEU 16 -7.390 0.310 13.840 124 H ASN 17 HN ASN 17 -4.650 0.795 17.765 125 HA ASN 17 HA ASN 17 -7.049 0.239 19.145 126 HB2 ASN 17 HB2 ASN 17 -4.185 -0.611 19.528 127 HB3 ASN 17 HB1 ASN 17 -5.438 -1.116 20.664 128 HD21 ASN 17 HD21 ASN 17 -4.170 -3.111 19.180 129 HD22 ASN 17 HD22 ASN 17 -5.230 -3.716 17.999 130 H VAL 18 HN VAL 18 -4.152 2.058 20.091 131 HA VAL 18 HA VAL 18 -4.894 2.498 22.786 132 HB VAL 18 HB VAL 18 -3.164 4.145 20.924 133 HG11 VAL 18 HG11 VAL 18 -3.825 5.617 22.678 134 HG12 VAL 18 HG12 VAL 18 -2.247 4.996 23.165 135 HG13 VAL 18 HG13 VAL 18 -3.714 4.341 23.891 136 HG21 VAL 18 HG21 VAL 18 -2.376 2.269 23.169 137 HG22 VAL 18 HG22 VAL 18 -1.325 2.990 21.951 138 HG23 VAL 18 HG23 VAL 18 -2.493 1.753 21.487 139 H ILE 19 HN ILE 19 -5.388 4.404 19.837 140 HA ILE 19 HA ILE 19 -6.765 6.563 21.044 141 HB ILE 19 HB ILE 19 -6.811 5.466 18.222 142 HG12 ILE 19 HG12 ILE 19 -5.491 7.954 19.335 143 HG13 ILE 19 HG11 ILE 19 -4.662 6.401 19.213 144 HG21 ILE 19 HG21 ILE 19 -8.836 6.714 18.451 145 HG22 ILE 19 HG22 ILE 19 -7.680 7.820 17.707 146 HG23 ILE 19 HG23 ILE 19 -8.045 7.952 19.428 147 HD11 ILE 19 HD11 ILE 19 -4.266 7.920 17.245 148 HD12 ILE 19 HD12 ILE 19 -5.984 7.793 16.868 149 HD13 ILE 19 HD13 ILE 19 -4.960 6.357 16.812 150 H ALA 20 HN ALA 20 -7.852 3.550 19.536 151 HA ALA 20 HA ALA 20 -10.652 4.126 20.040 152 HB1 ALA 20 HB1 ALA 20 -9.331 1.564 19.113 153 HB2 ALA 20 HB2 ALA 20 -9.935 2.836 18.050 154 HB3 ALA 20 HB3 ALA 20 -11.057 1.926 19.062 155 HN1 NH2 21 H2 NH2 21 -9.156 2.340 23.231 156 HN2 NH2 21 H1 NH2 21 -8.273 3.314 22.157 Start of MODEL 12 1 H1 ACE 0 HA2 ACE 0 4.734 0.030 -3.865 2 H2 ACE 0 HA3 ACE 0 6.244 0.740 -3.296 3 H3 ACE 0 HA1 ACE 0 5.020 0.232 -2.135 4 H LEU 1 HN LEU 1 7.384 -0.765 -1.615 5 HA LEU 1 HA LEU 1 8.176 -3.116 -2.961 6 HB2 LEU 1 HB2 LEU 1 8.559 -2.214 -0.101 7 HB3 LEU 1 HB1 LEU 1 9.343 -3.635 -0.780 8 HG LEU 1 HG LEU 1 9.593 -0.863 -1.983 9 HD11 LEU 1 HD11 LEU 1 11.801 -0.770 -0.858 10 HD12 LEU 1 HD12 LEU 1 11.453 -2.310 -0.071 11 HD13 LEU 1 HD13 LEU 1 10.488 -0.887 0.315 12 HD21 LEU 1 HD21 LEU 1 10.258 -2.398 -3.647 13 HD22 LEU 1 HD22 LEU 1 10.902 -3.545 -2.475 14 HD23 LEU 1 HD23 LEU 1 11.783 -2.063 -2.832 15 H GLY 2 HN GLY 2 5.977 -2.522 -0.264 16 HA2 GLY 2 HA2 GLY 2 4.114 -4.433 -0.711 17 HA3 GLY 2 HA1 GLY 2 5.383 -5.323 0.129 18 H LEU 3 HN LEU 3 6.290 -3.290 1.819 19 HA LEU 3 HA LEU 3 4.477 -3.527 3.976 20 HB2 LEU 3 HB2 LEU 3 6.877 -1.728 3.580 21 HB3 LEU 3 HB1 LEU 3 6.020 -1.914 5.111 22 HG LEU 3 HG LEU 3 7.257 -4.198 3.549 23 HD11 LEU 3 HD11 LEU 3 8.957 -4.190 5.397 24 HD12 LEU 3 HD12 LEU 3 8.283 -2.657 5.948 25 HD13 LEU 3 HD13 LEU 3 9.026 -2.768 4.353 26 HD21 LEU 3 HD21 LEU 3 5.708 -5.292 4.870 27 HD22 LEU 3 HD22 LEU 3 5.654 -4.013 6.081 28 HD23 LEU 3 HD23 LEU 3 6.995 -5.157 6.064 29 H LEU 4 HN LEU 4 5.127 -0.884 1.696 30 HA LEU 4 HA LEU 4 3.552 1.067 3.001 31 HB2 LEU 4 HB2 LEU 4 4.224 0.693 0.073 32 HB3 LEU 4 HB1 LEU 4 3.416 2.118 0.719 33 HG LEU 4 HG LEU 4 6.099 1.132 1.729 34 HD11 LEU 4 HD11 LEU 4 6.321 1.699 -0.632 35 HD12 LEU 4 HD12 LEU 4 7.060 2.968 0.341 36 HD13 LEU 4 HD13 LEU 4 5.470 3.223 -0.377 37 HD21 LEU 4 HD21 LEU 4 4.391 3.579 2.203 38 HD22 LEU 4 HD22 LEU 4 6.144 3.705 2.329 39 HD23 LEU 4 HD23 LEU 4 5.270 2.587 3.369 40 H SER 5 HN SER 5 2.745 -1.327 0.498 41 HA SER 5 HA SER 5 0.009 -0.519 0.268 42 HB2 SER 5 HB2 SER 5 1.375 -3.106 -0.494 43 HB3 SER 5 HB1 SER 5 -0.264 -2.654 -0.955 44 HG SER 5 HG SER 5 2.204 -1.552 -1.736 45 H TYR 6 HN TYR 6 1.667 -3.179 1.932 46 HA TYR 6 HA TYR 6 -0.636 -4.343 3.098 47 HB2 TYR 6 HB2 TYR 6 1.378 -5.625 2.970 48 HB3 TYR 6 HB1 TYR 6 2.296 -4.395 3.836 49 HD1 TYR 6 HD1 TYR 6 -0.635 -6.702 4.232 50 HD2 TYR 6 HD2 TYR 6 2.536 -4.534 6.167 51 HE1 TYR 6 HE1 TYR 6 -1.194 -7.796 6.390 52 HE2 TYR 6 HE2 TYR 6 1.977 -5.624 8.316 53 HH TYR 6 HH TYR 6 0.557 -8.173 8.783 54 H GLY 7 HN GLY 7 1.754 -2.055 4.380 55 HA2 GLY 7 HA2 GLY 7 0.435 -1.673 6.884 56 HA3 GLY 7 HA1 GLY 7 1.708 -0.654 6.213 57 H ALA 8 HN ALA 8 0.425 0.050 3.790 58 HA ALA 8 HA ALA 8 -0.854 1.793 3.011 59 HB1 ALA 8 HB1 ALA 8 -2.851 0.338 4.754 60 HB2 ALA 8 HB2 ALA 8 -2.571 0.098 3.029 61 HB3 ALA 8 HB3 ALA 8 -3.281 1.607 3.608 62 H GLY 9 HN GLY 9 0.417 1.879 5.897 63 HA2 GLY 9 HA2 GLY 9 0.860 3.915 7.051 64 HA3 GLY 9 HA1 GLY 9 -0.702 4.532 6.524 65 H VAL 10 HN VAL 10 -1.809 1.775 7.270 66 HA VAL 10 HA VAL 10 -2.835 2.495 9.802 67 HB VAL 10 HB VAL 10 -2.745 -0.311 8.693 68 HG11 VAL 10 HG11 VAL 10 -3.627 0.256 11.050 69 HG12 VAL 10 HG12 VAL 10 -4.703 -0.657 9.993 70 HG13 VAL 10 HG13 VAL 10 -4.953 1.072 10.227 71 HG21 VAL 10 HG21 VAL 10 -4.896 0.314 7.552 72 HG22 VAL 10 HG22 VAL 10 -3.484 1.144 6.891 73 HG23 VAL 10 HG23 VAL 10 -4.581 1.996 7.978 74 H ALA 11 HN ALA 11 -0.293 0.200 8.848 75 HA ALA 11 HA ALA 11 1.476 -0.663 10.032 76 HB1 ALA 11 HB1 ALA 11 2.373 0.552 11.812 77 HB2 ALA 11 HB2 ALA 11 0.793 1.066 12.403 78 HB3 ALA 11 HB3 ALA 11 1.468 1.788 10.942 79 H SER 12 HN SER 12 -1.057 -1.914 10.084 80 HA SER 12 HA SER 12 -2.067 -3.698 11.100 81 HB2 SER 12 HB2 SER 12 0.006 -3.633 13.281 82 HB3 SER 12 HB1 SER 12 -0.859 -5.015 12.615 83 HG SER 12 HG SER 12 0.769 -5.205 11.315 84 H LEU 13 HN LEU 13 -2.418 -0.803 11.900 85 HA LEU 13 HA LEU 13 -3.509 0.455 13.497 86 HB2 LEU 13 HB2 LEU 13 -5.248 -1.135 12.492 87 HB3 LEU 13 HB1 LEU 13 -5.068 -2.086 13.963 88 HG LEU 13 HG LEU 13 -5.469 0.277 15.150 89 HD11 LEU 13 HD11 LEU 13 -6.972 1.718 13.895 90 HD12 LEU 13 HD12 LEU 13 -6.984 0.590 12.542 91 HD13 LEU 13 HD13 LEU 13 -5.516 1.484 12.931 92 HD21 LEU 13 HD21 LEU 13 -7.740 -1.257 13.839 93 HD22 LEU 13 HD22 LEU 13 -7.854 -0.252 15.283 94 HD23 LEU 13 HD23 LEU 13 -6.927 -1.750 15.327 95 HA PRO 14 HA PRO 14 -1.573 -1.427 17.222 96 HB2 PRO 14 HB2 PRO 14 0.760 -0.057 17.300 97 HB3 PRO 14 HB1 PRO 14 0.535 -1.468 16.247 98 HG2 PRO 14 HG2 PRO 14 0.708 1.392 15.526 99 HG3 PRO 14 HG1 PRO 14 1.017 -0.040 14.535 100 HD2 PRO 14 HD2 PRO 14 -1.412 1.564 14.642 101 HD3 PRO 14 HD1 PRO 14 -1.059 0.176 13.590 102 H LEU 15 HN LEU 15 -0.513 1.929 16.728 103 HA LEU 15 HA LEU 15 -1.136 2.765 19.350 104 HB2 LEU 15 HB2 LEU 15 -0.632 4.321 16.807 105 HB3 LEU 15 HB1 LEU 15 -0.789 5.072 18.394 106 HG LEU 15 HG LEU 15 1.203 2.873 17.790 107 HD11 LEU 15 HD11 LEU 15 1.606 5.881 17.744 108 HD12 LEU 15 HD12 LEU 15 1.670 4.799 16.351 109 HD13 LEU 15 HD13 LEU 15 2.892 4.679 17.616 110 HD21 LEU 15 HD21 LEU 15 0.701 4.737 20.116 111 HD22 LEU 15 HD22 LEU 15 2.325 4.119 19.820 112 HD23 LEU 15 HD23 LEU 15 1.004 3.000 20.129 113 H LEU 16 HN LEU 16 -2.882 3.055 16.286 114 HA LEU 16 HA LEU 16 -4.969 4.714 17.204 115 HB2 LEU 16 HB2 LEU 16 -4.660 2.760 14.937 116 HB3 LEU 16 HB1 LEU 16 -6.241 3.475 15.257 117 HG LEU 16 HG LEU 16 -5.199 5.740 15.120 118 HD11 LEU 16 HD11 LEU 16 -2.908 5.806 14.018 119 HD12 LEU 16 HD12 LEU 16 -2.768 4.089 14.389 120 HD13 LEU 16 HD13 LEU 16 -2.909 5.265 15.696 121 HD21 LEU 16 HD21 LEU 16 -6.223 4.490 13.139 122 HD22 LEU 16 HD22 LEU 16 -4.572 4.113 12.648 123 HD23 LEU 16 HD23 LEU 16 -5.107 5.791 12.729 124 H ASN 17 HN ASN 17 -4.566 1.200 17.199 125 HA ASN 17 HA ASN 17 -7.161 0.524 18.060 126 HB2 ASN 17 HB2 ASN 17 -5.606 -1.131 17.153 127 HB3 ASN 17 HB1 ASN 17 -4.544 -0.918 18.543 128 HD21 ASN 17 HD21 ASN 17 -5.663 -3.489 17.987 129 HD22 ASN 17 HD22 ASN 17 -6.787 -3.857 19.203 130 H VAL 18 HN VAL 18 -4.220 1.340 19.878 131 HA VAL 18 HA VAL 18 -5.233 0.722 22.443 132 HB VAL 18 HB VAL 18 -3.119 2.719 21.592 133 HG11 VAL 18 HG11 VAL 18 -2.413 2.359 24.060 134 HG12 VAL 18 HG12 VAL 18 -4.060 1.775 24.303 135 HG13 VAL 18 HG13 VAL 18 -3.780 3.429 23.757 136 HG21 VAL 18 HG21 VAL 18 -2.760 0.267 21.094 137 HG22 VAL 18 HG22 VAL 18 -2.871 -0.041 22.826 138 HG23 VAL 18 HG23 VAL 18 -1.565 0.961 22.193 139 H ILE 19 HN ILE 19 -5.166 3.787 20.626 140 HA ILE 19 HA ILE 19 -6.537 5.296 22.618 141 HB ILE 19 HB ILE 19 -6.370 5.807 19.640 142 HG12 ILE 19 HG12 ILE 19 -4.142 5.536 20.613 143 HG13 ILE 19 HG11 ILE 19 -4.422 7.229 20.230 144 HG21 ILE 19 HG21 ILE 19 -6.917 7.651 21.987 145 HG22 ILE 19 HG22 ILE 19 -8.087 7.140 20.772 146 HG23 ILE 19 HG23 ILE 19 -6.731 8.168 20.312 147 HD11 ILE 19 HD11 ILE 19 -3.508 7.362 22.374 148 HD12 ILE 19 HD12 ILE 19 -4.296 5.882 22.912 149 HD13 ILE 19 HD13 ILE 19 -5.234 7.362 22.742 150 H ALA 20 HN ALA 20 -7.563 3.576 19.700 151 HA ALA 20 HA ALA 20 -10.334 4.279 19.984 152 HB1 ALA 20 HB1 ALA 20 -9.014 2.062 18.397 153 HB2 ALA 20 HB2 ALA 20 -9.370 3.685 17.803 154 HB3 ALA 20 HB3 ALA 20 -10.688 2.590 18.223 155 HN1 NH2 21 H2 NH2 21 -9.818 0.477 21.464 156 HN2 NH2 21 H1 NH2 21 -8.810 1.019 20.211 Start of MODEL 13 1 H1 ACE 0 HA2 ACE 0 3.707 -8.482 -2.382 2 H2 ACE 0 HA3 ACE 0 4.321 -8.319 -4.028 3 H3 ACE 0 HA1 ACE 0 3.555 -6.945 -3.233 4 H LEU 1 HN LEU 1 5.042 -5.448 -2.776 5 HA LEU 1 HA LEU 1 7.817 -5.927 -2.549 6 HB2 LEU 1 HB2 LEU 1 6.102 -3.599 -1.673 7 HB3 LEU 1 HB1 LEU 1 7.860 -3.589 -1.590 8 HG LEU 1 HG LEU 1 6.305 -4.143 -4.131 9 HD11 LEU 1 HD11 LEU 1 7.022 -1.778 -4.728 10 HD12 LEU 1 HD12 LEU 1 7.435 -1.560 -3.027 11 HD13 LEU 1 HD13 LEU 1 5.768 -1.894 -3.493 12 HD21 LEU 1 HD21 LEU 1 9.220 -3.836 -3.433 13 HD22 LEU 1 HD22 LEU 1 8.671 -3.270 -5.009 14 HD23 LEU 1 HD23 LEU 1 8.446 -4.955 -4.555 15 H GLY 2 HN GLY 2 5.264 -5.514 -0.136 16 HA2 GLY 2 HA2 GLY 2 6.019 -7.199 1.809 17 HA3 GLY 2 HA1 GLY 2 7.116 -5.847 2.088 18 H LEU 3 HN LEU 3 3.664 -6.167 1.232 19 HA LEU 3 HA LEU 3 1.833 -4.945 1.957 20 HB2 LEU 3 HB2 LEU 3 3.123 -5.559 4.628 21 HB3 LEU 3 HB1 LEU 3 1.421 -5.193 4.348 22 HG LEU 3 HG LEU 3 2.900 -7.567 3.169 23 HD11 LEU 3 HD11 LEU 3 1.566 -8.891 4.776 24 HD12 LEU 3 HD12 LEU 3 0.897 -7.402 5.444 25 HD13 LEU 3 HD13 LEU 3 2.616 -7.749 5.613 26 HD21 LEU 3 HD21 LEU 3 0.070 -6.528 2.971 27 HD22 LEU 3 HD22 LEU 3 0.387 -8.258 2.825 28 HD23 LEU 3 HD23 LEU 3 1.123 -7.131 1.691 29 H LEU 4 HN LEU 4 4.513 -3.491 1.628 30 HA LEU 4 HA LEU 4 4.680 -1.429 3.540 31 HB2 LEU 4 HB2 LEU 4 6.504 -1.920 1.989 32 HB3 LEU 4 HB1 LEU 4 5.497 -1.447 0.623 33 HG LEU 4 HG LEU 4 5.380 0.857 1.483 34 HD11 LEU 4 HD11 LEU 4 5.487 0.722 3.826 35 HD12 LEU 4 HD12 LEU 4 7.082 1.343 3.418 36 HD13 LEU 4 HD13 LEU 4 6.875 -0.367 3.799 37 HD21 LEU 4 HD21 LEU 4 8.222 -0.204 1.423 38 HD22 LEU 4 HD22 LEU 4 7.729 1.462 1.123 39 HD23 LEU 4 HD23 LEU 4 7.253 0.187 0.003 40 H SER 5 HN SER 5 2.953 -1.640 0.446 41 HA SER 5 HA SER 5 2.006 1.008 0.359 42 HB2 SER 5 HB2 SER 5 0.730 -1.512 -0.725 43 HB3 SER 5 HB1 SER 5 0.290 0.132 -1.183 44 HG SER 5 HG SER 5 1.808 -0.821 -2.628 45 H TYR 6 HN TYR 6 0.555 -1.935 1.734 46 HA TYR 6 HA TYR 6 -1.842 -0.671 2.602 47 HB2 TYR 6 HB2 TYR 6 -0.467 -3.232 3.422 48 HB3 TYR 6 HB1 TYR 6 -2.016 -2.720 4.091 49 HD1 TYR 6 HD1 TYR 6 -0.247 -3.619 0.947 50 HD2 TYR 6 HD2 TYR 6 -4.039 -2.906 2.833 51 HE1 TYR 6 HE1 TYR 6 -1.411 -4.526 -1.047 52 HE2 TYR 6 HE2 TYR 6 -5.202 -3.812 0.840 53 HH TYR 6 HH TYR 6 -4.241 -5.654 -1.167 54 H GLY 7 HN GLY 7 1.253 -1.371 4.179 55 HA2 GLY 7 HA2 GLY 7 0.363 -0.060 6.653 56 HA3 GLY 7 HA1 GLY 7 1.857 -0.966 6.429 57 H ALA 8 HN ALA 8 0.886 1.411 4.083 58 HA ALA 8 HA ALA 8 3.310 2.835 4.216 59 HB1 ALA 8 HB1 ALA 8 2.067 4.577 2.892 60 HB2 ALA 8 HB2 ALA 8 0.605 3.617 3.111 61 HB3 ALA 8 HB3 ALA 8 1.973 2.951 2.217 62 H GLY 9 HN GLY 9 0.217 3.296 5.807 63 HA2 GLY 9 HA2 GLY 9 1.316 4.774 7.953 64 HA3 GLY 9 HA1 GLY 9 0.561 5.880 6.816 65 H VAL 10 HN VAL 10 -1.360 3.490 6.238 66 HA VAL 10 HA VAL 10 -3.527 4.419 7.742 67 HB VAL 10 HB VAL 10 -3.306 1.634 6.601 68 HG11 VAL 10 HG11 VAL 10 -5.320 2.355 7.959 69 HG12 VAL 10 HG12 VAL 10 -5.679 1.833 6.313 70 HG13 VAL 10 HG13 VAL 10 -5.644 3.553 6.706 71 HG21 VAL 10 HG21 VAL 10 -3.689 4.290 5.202 72 HG22 VAL 10 HG22 VAL 10 -4.207 2.763 4.488 73 HG23 VAL 10 HG23 VAL 10 -2.500 3.037 4.844 74 H ALA 11 HN ALA 11 -1.457 1.567 8.210 75 HA ALA 11 HA ALA 11 -2.765 0.409 10.381 76 HB1 ALA 11 HB1 ALA 11 0.209 0.502 9.840 77 HB2 ALA 11 HB2 ALA 11 -0.924 -0.670 9.166 78 HB3 ALA 11 HB3 ALA 11 -0.611 -0.643 10.902 79 H SER 12 HN SER 12 -1.253 3.420 10.232 80 HA SER 12 HA SER 12 -0.167 3.615 12.840 81 HB2 SER 12 HB2 SER 12 0.254 5.149 10.845 82 HB3 SER 12 HB1 SER 12 -1.277 5.920 11.252 83 HG SER 12 HG SER 12 -0.451 6.569 13.163 84 H LEU 13 HN LEU 13 -3.465 3.633 11.777 85 HA LEU 13 HA LEU 13 -4.320 4.970 14.277 86 HB2 LEU 13 HB2 LEU 13 -5.260 5.085 11.562 87 HB3 LEU 13 HB1 LEU 13 -6.569 4.464 12.560 88 HG LEU 13 HG LEU 13 -5.002 6.950 13.306 89 HD11 LEU 13 HD11 LEU 13 -6.910 8.222 12.350 90 HD12 LEU 13 HD12 LEU 13 -7.575 6.715 11.717 91 HD13 LEU 13 HD13 LEU 13 -6.032 7.323 11.111 92 HD21 LEU 13 HD21 LEU 13 -7.826 6.149 14.041 93 HD22 LEU 13 HD22 LEU 13 -6.792 7.340 14.832 94 HD23 LEU 13 HD23 LEU 13 -6.439 5.619 14.990 95 HA PRO 14 HA PRO 14 -7.062 0.913 14.136 96 HB2 PRO 14 HB2 PRO 14 -5.104 -0.853 12.710 97 HB3 PRO 14 HB1 PRO 14 -6.881 -0.845 12.637 98 HG2 PRO 14 HG2 PRO 14 -5.440 0.146 10.640 99 HG3 PRO 14 HG1 PRO 14 -6.945 0.933 11.156 100 HD2 PRO 14 HD2 PRO 14 -4.116 1.755 11.703 101 HD3 PRO 14 HD1 PRO 14 -5.528 2.764 11.356 102 H LEU 15 HN LEU 15 -3.510 0.508 14.141 103 HA LEU 15 HA LEU 15 -3.415 -1.361 16.256 104 HB2 LEU 15 HB2 LEU 15 -1.377 0.638 15.255 105 HB3 LEU 15 HB1 LEU 15 -1.025 -0.562 16.493 106 HG LEU 15 HG LEU 15 -2.137 -1.300 13.772 107 HD11 LEU 15 HD11 LEU 15 0.265 -1.962 13.275 108 HD12 LEU 15 HD12 LEU 15 0.736 -1.031 14.696 109 HD13 LEU 15 HD13 LEU 15 -0.035 -0.226 13.330 110 HD21 LEU 15 HD21 LEU 15 -2.431 -3.148 15.214 111 HD22 LEU 15 HD22 LEU 15 -0.944 -2.820 16.100 112 HD23 LEU 15 HD23 LEU 15 -0.873 -3.489 14.473 113 H LEU 16 HN LEU 16 -3.239 2.171 16.198 114 HA LEU 16 HA LEU 16 -2.785 2.531 18.967 115 HB2 LEU 16 HB2 LEU 16 -3.863 4.277 16.768 116 HB3 LEU 16 HB1 LEU 16 -3.867 4.847 18.432 117 HG LEU 16 HG LEU 16 -1.834 5.495 17.048 118 HD11 LEU 16 HD11 LEU 16 -0.941 3.813 19.382 119 HD12 LEU 16 HD12 LEU 16 -1.961 5.224 19.654 120 HD13 LEU 16 HD13 LEU 16 -0.391 5.410 18.881 121 HD21 LEU 16 HD21 LEU 16 -0.166 3.841 16.550 122 HD22 LEU 16 HD22 LEU 16 -1.695 3.216 15.933 123 HD23 LEU 16 HD23 LEU 16 -1.036 2.600 17.448 124 H ASN 17 HN ASN 17 -5.708 2.257 17.023 125 HA ASN 17 HA ASN 17 -7.583 2.936 19.007 126 HB2 ASN 17 HB2 ASN 17 -8.169 2.806 16.638 127 HB3 ASN 17 HB1 ASN 17 -7.865 1.071 16.641 128 HD21 ASN 17 HD21 ASN 17 -10.427 2.029 15.920 129 HD22 ASN 17 HD22 ASN 17 -11.533 1.607 17.136 130 H VAL 18 HN VAL 18 -6.091 -0.177 18.163 131 HA VAL 18 HA VAL 18 -7.691 -1.800 19.825 132 HB VAL 18 HB VAL 18 -4.821 -2.139 18.919 133 HG11 VAL 18 HG11 VAL 18 -5.335 -4.592 19.451 134 HG12 VAL 18 HG12 VAL 18 -6.703 -3.993 20.389 135 HG13 VAL 18 HG13 VAL 18 -5.059 -3.536 20.837 136 HG21 VAL 18 HG21 VAL 18 -5.723 -3.483 17.174 137 HG22 VAL 18 HG22 VAL 18 -6.754 -2.054 17.225 138 HG23 VAL 18 HG23 VAL 18 -7.306 -3.564 17.948 139 H ILE 19 HN ILE 19 -4.584 -0.173 20.425 140 HA ILE 19 HA ILE 19 -4.335 -1.028 23.127 141 HB ILE 19 HB ILE 19 -3.190 1.453 21.824 142 HG12 ILE 19 HG12 ILE 19 -2.566 -0.514 20.528 143 HG13 ILE 19 HG11 ILE 19 -1.171 0.015 21.465 144 HG21 ILE 19 HG21 ILE 19 -2.497 -0.101 24.325 145 HG22 ILE 19 HG22 ILE 19 -2.955 1.597 24.201 146 HG23 ILE 19 HG23 ILE 19 -1.394 1.056 23.581 147 HD11 ILE 19 HD11 ILE 19 -1.146 -2.279 21.868 148 HD12 ILE 19 HD12 ILE 19 -2.903 -2.408 21.845 149 HD13 ILE 19 HD13 ILE 19 -2.089 -1.716 23.246 150 H ALA 20 HN ALA 20 -5.670 1.881 21.606 151 HA ALA 20 HA ALA 20 -6.254 3.306 23.966 152 HB1 ALA 20 HB1 ALA 20 -7.801 3.366 21.366 153 HB2 ALA 20 HB2 ALA 20 -6.307 4.254 21.653 154 HB3 ALA 20 HB3 ALA 20 -7.750 4.630 22.593 155 HN1 NH2 21 H2 NH2 21 -9.520 0.893 23.319 156 HN2 NH2 21 H1 NH2 21 -8.448 1.183 22.037 Start of MODEL 14 1 H1 ACE 0 HA2 ACE 0 1.944 -7.673 -0.763 2 H2 ACE 0 HA3 ACE 0 2.150 -6.306 0.333 3 H3 ACE 0 HA1 ACE 0 0.532 -6.798 -0.173 4 H LEU 1 HN LEU 1 3.101 -7.319 2.066 5 HA LEU 1 HA LEU 1 2.429 -9.872 3.052 6 HB2 LEU 1 HB2 LEU 1 3.691 -7.484 4.415 7 HB3 LEU 1 HB1 LEU 1 3.580 -9.081 5.148 8 HG LEU 1 HG LEU 1 4.879 -8.614 2.449 9 HD11 LEU 1 HD11 LEU 1 7.028 -8.543 3.565 10 HD12 LEU 1 HD12 LEU 1 6.275 -8.826 5.133 11 HD13 LEU 1 HD13 LEU 1 6.003 -7.303 4.286 12 HD21 LEU 1 HD21 LEU 1 4.422 -10.931 2.703 13 HD22 LEU 1 HD22 LEU 1 4.788 -10.906 4.428 14 HD23 LEU 1 HD23 LEU 1 6.088 -10.777 3.247 15 H GLY 2 HN GLY 2 1.312 -6.632 3.921 16 HA2 GLY 2 HA2 GLY 2 -1.278 -7.352 4.622 17 HA3 GLY 2 HA1 GLY 2 -0.331 -7.417 6.105 18 H LEU 3 HN LEU 3 -0.282 -5.247 3.286 19 HA LEU 3 HA LEU 3 -0.186 -2.944 3.160 20 HB2 LEU 3 HB2 LEU 3 -2.279 -3.192 5.333 21 HB3 LEU 3 HB1 LEU 3 -2.036 -1.812 4.264 22 HG LEU 3 HG LEU 3 -2.774 -4.610 3.354 23 HD11 LEU 3 HD11 LEU 3 -4.399 -2.074 3.696 24 HD12 LEU 3 HD12 LEU 3 -4.656 -3.629 4.490 25 HD13 LEU 3 HD13 LEU 3 -4.952 -3.465 2.759 26 HD21 LEU 3 HD21 LEU 3 -3.320 -3.159 1.217 27 HD22 LEU 3 HD22 LEU 3 -1.662 -3.663 1.519 28 HD23 LEU 3 HD23 LEU 3 -2.169 -2.024 1.923 29 H LEU 4 HN LEU 4 1.325 -4.448 5.482 30 HA LEU 4 HA LEU 4 1.547 -2.613 7.626 31 HB2 LEU 4 HB2 LEU 4 3.479 -4.674 6.545 32 HB3 LEU 4 HB1 LEU 4 3.767 -3.760 8.021 33 HG LEU 4 HG LEU 4 1.271 -5.417 7.562 34 HD11 LEU 4 HD11 LEU 4 2.462 -7.018 9.187 35 HD12 LEU 4 HD12 LEU 4 3.942 -6.160 8.761 36 HD13 LEU 4 HD13 LEU 4 3.028 -7.011 7.517 37 HD21 LEU 4 HD21 LEU 4 2.458 -3.922 9.900 38 HD22 LEU 4 HD22 LEU 4 1.457 -5.340 10.197 39 HD23 LEU 4 HD23 LEU 4 0.788 -3.959 9.336 40 H SER 5 HN SER 5 3.464 -3.016 4.653 41 HA SER 5 HA SER 5 5.274 -0.892 5.185 42 HB2 SER 5 HB2 SER 5 5.936 -2.432 3.505 43 HB3 SER 5 HB1 SER 5 4.406 -2.276 2.647 44 HG SER 5 HG SER 5 5.349 0.139 2.804 45 H TYR 6 HN TYR 6 2.247 -1.097 3.370 46 HA TYR 6 HA TYR 6 2.169 1.567 2.457 47 HB2 TYR 6 HB2 TYR 6 0.730 -0.054 1.442 48 HB3 TYR 6 HB1 TYR 6 -0.003 -0.471 2.989 49 HD1 TYR 6 HD2 TYR 6 0.409 2.321 0.539 50 HD2 TYR 6 HD1 TYR 6 -1.878 0.709 3.798 51 HE1 TYR 6 HE2 TYR 6 -1.309 4.081 0.208 52 HE2 TYR 6 HE1 TYR 6 -3.591 2.462 3.469 53 HH TYR 6 HH TYR 6 -4.343 4.045 2.007 54 H GLY 7 HN GLY 7 0.762 0.038 5.344 55 HA2 GLY 7 HA2 GLY 7 -0.454 2.375 6.386 56 HA3 GLY 7 HA1 GLY 7 -0.069 0.917 7.297 57 H ALA 8 HN ALA 8 2.773 1.019 6.610 58 HA ALA 8 HA ALA 8 3.752 2.385 8.819 59 HB1 ALA 8 HB1 ALA 8 4.956 0.598 7.530 60 HB2 ALA 8 HB2 ALA 8 5.955 1.996 7.928 61 HB3 ALA 8 HB3 ALA 8 5.314 1.806 6.295 62 H GLY 9 HN GLY 9 2.664 4.435 8.705 63 HA2 GLY 9 HA2 GLY 9 3.903 6.697 8.434 64 HA3 GLY 9 HA1 GLY 9 3.699 6.358 6.716 65 H VAL 10 HN VAL 10 1.103 4.982 7.332 66 HA VAL 10 HA VAL 10 -0.627 7.163 6.840 67 HB VAL 10 HB VAL 10 -1.159 4.312 7.706 68 HG11 VAL 10 HG11 VAL 10 -3.528 4.937 6.774 69 HG12 VAL 10 HG12 VAL 10 -3.049 6.594 7.142 70 HG13 VAL 10 HG13 VAL 10 -3.114 5.387 8.426 71 HG21 VAL 10 HG21 VAL 10 -0.169 4.688 5.450 72 HG22 VAL 10 HG22 VAL 10 -1.522 5.749 5.054 73 HG23 VAL 10 HG23 VAL 10 -1.805 4.035 5.361 74 H ALA 11 HN ALA 11 0.001 5.259 9.778 75 HA ALA 11 HA ALA 11 -0.289 5.759 12.000 76 HB1 ALA 11 HB1 ALA 11 -0.158 7.990 12.704 77 HB2 ALA 11 HB2 ALA 11 -0.964 8.597 11.259 78 HB3 ALA 11 HB3 ALA 11 0.693 7.999 11.160 79 H SER 12 HN SER 12 -2.726 6.579 9.685 80 HA SER 12 HA SER 12 -4.825 6.925 11.668 81 HB2 SER 12 HB2 SER 12 -5.006 6.728 8.652 82 HB3 SER 12 HB1 SER 12 -6.302 7.212 9.743 83 HG SER 12 HG SER 12 -4.639 8.842 10.468 84 H LEU 13 HN LEU 13 -3.210 4.309 10.933 85 HA LEU 13 HA LEU 13 -5.470 2.555 11.394 86 HB2 LEU 13 HB2 LEU 13 -4.828 2.965 8.767 87 HB3 LEU 13 HB1 LEU 13 -3.800 1.586 9.131 88 HG LEU 13 HG LEU 13 -5.975 0.577 10.215 89 HD11 LEU 13 HD11 LEU 13 -7.326 2.646 10.022 90 HD12 LEU 13 HD12 LEU 13 -8.038 1.330 9.091 91 HD13 LEU 13 HD13 LEU 13 -7.132 2.599 8.269 92 HD21 LEU 13 HD21 LEU 13 -6.645 -0.323 7.979 93 HD22 LEU 13 HD22 LEU 13 -4.903 -0.378 8.236 94 HD23 LEU 13 HD23 LEU 13 -5.605 0.880 7.217 95 HA PRO 14 HA PRO 14 -1.271 0.097 11.815 96 HB2 PRO 14 HB2 PRO 14 0.552 2.404 12.376 97 HB3 PRO 14 HB1 PRO 14 0.874 0.903 11.481 98 HG2 PRO 14 HG2 PRO 14 0.545 3.183 10.182 99 HG3 PRO 14 HG1 PRO 14 -0.159 1.679 9.553 100 HD2 PRO 14 HD2 PRO 14 -1.509 3.919 11.030 101 HD3 PRO 14 HD1 PRO 14 -2.081 3.009 9.612 102 H LEU 15 HN LEU 15 -1.159 3.185 13.638 103 HA LEU 15 HA LEU 15 -0.619 1.976 16.139 104 HB2 LEU 15 HB2 LEU 15 -1.819 4.661 15.438 105 HB3 LEU 15 HB1 LEU 15 -1.348 4.191 17.067 106 HG LEU 15 HG LEU 15 0.539 4.183 14.692 107 HD11 LEU 15 HD11 LEU 15 1.459 6.262 15.667 108 HD12 LEU 15 HD12 LEU 15 0.195 6.239 16.897 109 HD13 LEU 15 HD13 LEU 15 -0.230 6.467 15.201 110 HD21 LEU 15 HD21 LEU 15 1.548 2.770 16.253 111 HD22 LEU 15 HD22 LEU 15 0.815 3.587 17.633 112 HD23 LEU 15 HD23 LEU 15 2.177 4.324 16.792 113 H LEU 16 HN LEU 16 -3.618 3.058 14.604 114 HA LEU 16 HA LEU 16 -5.333 2.514 16.783 115 HB2 LEU 16 HB2 LEU 16 -5.865 2.645 13.809 116 HB3 LEU 16 HB1 LEU 16 -7.129 2.537 15.031 117 HG LEU 16 HG LEU 16 -5.031 4.725 14.954 118 HD11 LEU 16 HD11 LEU 16 -6.668 6.155 13.953 119 HD12 LEU 16 HD12 LEU 16 -7.939 4.950 14.151 120 HD13 LEU 16 HD13 LEU 16 -6.644 4.682 12.986 121 HD21 LEU 16 HD21 LEU 16 -6.977 5.802 16.411 122 HD22 LEU 16 HD22 LEU 16 -5.810 4.717 17.157 123 HD23 LEU 16 HD23 LEU 16 -7.406 4.117 16.707 124 H ASN 17 HN ASN 17 -4.293 0.581 14.025 125 HA ASN 17 HA ASN 17 -5.986 -1.629 14.432 126 HB2 ASN 17 HB2 ASN 17 -4.747 -1.339 12.362 127 HB3 ASN 17 HB1 ASN 17 -3.216 -1.482 13.225 128 HD21 ASN 17 HD21 ASN 17 -5.967 -3.310 11.969 129 HD22 ASN 17 HD22 ASN 17 -5.308 -4.844 12.278 130 H VAL 18 HN VAL 18 -2.754 -0.886 15.694 131 HA VAL 18 HA VAL 18 -2.362 -3.351 17.044 132 HB VAL 18 HB VAL 18 -1.200 -0.593 17.522 133 HG11 VAL 18 HG11 VAL 18 -0.974 -1.795 19.590 134 HG12 VAL 18 HG12 VAL 18 0.580 -1.925 18.765 135 HG13 VAL 18 HG13 VAL 18 -0.546 -3.284 18.747 136 HG21 VAL 18 HG21 VAL 18 -0.754 -1.851 15.337 137 HG22 VAL 18 HG22 VAL 18 0.086 -3.052 16.317 138 HG23 VAL 18 HG23 VAL 18 0.673 -1.391 16.266 139 H ILE 19 HN ILE 19 -3.625 -0.200 18.077 140 HA ILE 19 HA ILE 19 -4.079 -0.892 20.781 141 HB ILE 19 HB ILE 19 -5.400 1.165 18.993 142 HG12 ILE 19 HG12 ILE 19 -3.376 1.513 21.219 143 HG13 ILE 19 HG11 ILE 19 -2.919 1.331 19.525 144 HG21 ILE 19 HG21 ILE 19 -5.646 0.630 21.964 145 HG22 ILE 19 HG22 ILE 19 -6.946 0.763 20.777 146 HG23 ILE 19 HG23 ILE 19 -6.031 2.196 21.248 147 HD11 ILE 19 HD11 ILE 19 -4.137 3.323 18.908 148 HD12 ILE 19 HD12 ILE 19 -3.115 3.730 20.287 149 HD13 ILE 19 HD13 ILE 19 -4.840 3.451 20.521 150 H ALA 20 HN ALA 20 -6.140 -1.016 17.895 151 HA ALA 20 HA ALA 20 -8.366 -2.152 19.383 152 HB1 ALA 20 HB1 ALA 20 -7.981 -1.774 16.402 153 HB2 ALA 20 HB2 ALA 20 -8.777 -0.634 17.489 154 HB3 ALA 20 HB3 ALA 20 -9.489 -2.222 17.201 155 HN1 NH2 21 H2 NH2 21 -6.034 -5.058 17.950 156 HN2 NH2 21 H1 NH2 21 -5.509 -3.454 18.133 Start of MODEL 15 1 H1 ACE 0 HA2 ACE 0 -0.800 -7.075 2.886 2 H2 ACE 0 HA3 ACE 0 -0.402 -8.788 3.028 3 H3 ACE 0 HA1 ACE 0 -2.031 -8.296 2.565 4 H LEU 1 HN LEU 1 -0.946 -6.128 0.865 5 HA LEU 1 HA LEU 1 -0.507 -7.730 -1.537 6 HB2 LEU 1 HB2 LEU 1 -0.933 -4.757 -1.138 7 HB3 LEU 1 HB1 LEU 1 -0.788 -5.558 -2.701 8 HG LEU 1 HG LEU 1 -2.753 -7.099 -1.662 9 HD11 LEU 1 HD11 LEU 1 -2.716 -5.780 0.495 10 HD12 LEU 1 HD12 LEU 1 -4.287 -5.822 -0.298 11 HD13 LEU 1 HD13 LEU 1 -3.278 -4.382 -0.419 12 HD21 LEU 1 HD21 LEU 1 -3.231 -4.334 -2.825 13 HD22 LEU 1 HD22 LEU 1 -4.369 -5.681 -2.850 14 HD23 LEU 1 HD23 LEU 1 -2.865 -5.779 -3.767 15 H GLY 2 HN GLY 2 1.388 -6.324 0.809 16 HA2 GLY 2 HA2 GLY 2 3.748 -6.402 0.834 17 HA3 GLY 2 HA1 GLY 2 3.756 -6.390 -0.927 18 H LEU 3 HN LEU 3 1.565 -4.167 -0.288 19 HA LEU 3 HA LEU 3 3.426 -1.955 -0.649 20 HB2 LEU 3 HB2 LEU 3 0.400 -2.024 -0.570 21 HB3 LEU 3 HB1 LEU 3 1.374 -0.618 -0.994 22 HG LEU 3 HG LEU 3 1.449 -3.271 -2.469 23 HD11 LEU 3 HD11 LEU 3 -0.722 -2.128 -2.728 24 HD12 LEU 3 HD12 LEU 3 0.197 -2.077 -4.232 25 HD13 LEU 3 HD13 LEU 3 0.110 -0.648 -3.203 26 HD21 LEU 3 HD21 LEU 3 2.510 -1.603 -4.224 27 HD22 LEU 3 HD22 LEU 3 3.511 -2.252 -2.932 28 HD23 LEU 3 HD23 LEU 3 2.856 -0.621 -2.801 29 H LEU 4 HN LEU 4 1.896 -3.517 1.918 30 HA LEU 4 HA LEU 4 1.283 -1.380 3.645 31 HB2 LEU 4 HB2 LEU 4 0.470 -3.637 4.056 32 HB3 LEU 4 HB1 LEU 4 2.117 -4.222 4.269 33 HG LEU 4 HG LEU 4 2.396 -2.823 6.260 34 HD11 LEU 4 HD11 LEU 4 0.170 -1.728 7.118 35 HD12 LEU 4 HD12 LEU 4 -0.306 -1.775 5.420 36 HD13 LEU 4 HD13 LEU 4 1.129 -0.875 5.911 37 HD21 LEU 4 HD21 LEU 4 1.244 -5.107 6.340 38 HD22 LEU 4 HD22 LEU 4 -0.276 -4.226 6.480 39 HD23 LEU 4 HD23 LEU 4 0.962 -4.050 7.722 40 H SER 5 HN SER 5 4.277 -3.217 3.168 41 HA SER 5 HA SER 5 5.719 -2.107 5.316 42 HB2 SER 5 HB2 SER 5 6.417 -4.129 4.058 43 HB3 SER 5 HB1 SER 5 6.806 -3.108 2.676 44 HG SER 5 HG SER 5 8.245 -1.968 4.116 45 H TYR 6 HN TYR 6 4.742 -0.706 2.353 46 HA TYR 6 HA TYR 6 6.880 1.269 2.271 47 HB2 TYR 6 HB2 TYR 6 4.354 0.901 0.654 48 HB3 TYR 6 HB1 TYR 6 5.486 2.230 0.406 49 HD1 TYR 6 HD2 TYR 6 5.333 -1.504 0.615 50 HD2 TYR 6 HD1 TYR 6 7.384 1.925 -0.962 51 HE1 TYR 6 HE2 TYR 6 6.770 -2.993 -0.748 52 HE2 TYR 6 HE1 TYR 6 8.826 0.435 -2.322 53 HH TYR 6 HH TYR 6 9.377 -1.667 -2.787 54 H GLY 7 HN GLY 7 4.578 0.888 4.419 55 HA2 GLY 7 HA2 GLY 7 3.761 2.373 6.005 56 HA3 GLY 7 HA1 GLY 7 4.426 3.700 5.057 57 H ALA 8 HN ALA 8 2.249 1.234 3.793 58 HA ALA 8 HA ALA 8 0.519 3.082 2.571 59 HB1 ALA 8 HB1 ALA 8 0.731 0.590 2.078 60 HB2 ALA 8 HB2 ALA 8 -0.907 1.240 2.091 61 HB3 ALA 8 HB3 ALA 8 -0.312 0.323 3.475 62 H GLY 9 HN GLY 9 0.964 2.534 5.806 63 HA2 GLY 9 HA2 GLY 9 -1.054 4.233 6.694 64 HA3 GLY 9 HA1 GLY 9 -1.681 2.592 6.833 65 H VAL 10 HN VAL 10 1.098 4.617 7.712 66 HA VAL 10 HA VAL 10 2.205 2.845 9.614 67 HB VAL 10 HB VAL 10 2.376 5.849 9.327 68 HG11 VAL 10 HG11 VAL 10 3.748 3.940 11.228 69 HG12 VAL 10 HG12 VAL 10 2.914 5.446 11.609 70 HG13 VAL 10 HG13 VAL 10 4.471 5.487 10.785 71 HG21 VAL 10 HG21 VAL 10 4.278 3.585 8.642 72 HG22 VAL 10 HG22 VAL 10 4.611 5.302 8.414 73 HG23 VAL 10 HG23 VAL 10 3.333 4.520 7.482 74 H ALA 11 HN ALA 11 -0.108 5.517 9.921 75 HA ALA 11 HA ALA 11 -0.380 5.319 12.754 76 HB1 ALA 11 HB1 ALA 11 -2.424 6.430 10.829 77 HB2 ALA 11 HB2 ALA 11 -0.977 7.317 11.306 78 HB3 ALA 11 HB3 ALA 11 -2.176 6.871 12.518 79 H SER 12 HN SER 12 -1.453 3.366 10.211 80 HA SER 12 HA SER 12 -3.974 2.505 11.174 81 HB2 SER 12 HB2 SER 12 -2.938 2.090 8.864 82 HB3 SER 12 HB1 SER 12 -2.051 0.773 9.625 83 HG SER 12 HG SER 12 -4.700 0.800 10.279 84 H LEU 13 HN LEU 13 -0.881 2.098 12.441 85 HA LEU 13 HA LEU 13 -1.453 -0.482 13.711 86 HB2 LEU 13 HB2 LEU 13 0.958 1.165 13.190 87 HB3 LEU 13 HB1 LEU 13 0.971 0.315 14.735 88 HG LEU 13 HG LEU 13 0.462 -1.807 13.523 89 HD11 LEU 13 HD11 LEU 13 0.651 0.050 11.144 90 HD12 LEU 13 HD12 LEU 13 -0.661 -1.050 11.562 91 HD13 LEU 13 HD13 LEU 13 0.879 -1.692 10.994 92 HD21 LEU 13 HD21 LEU 13 2.697 -2.078 12.557 93 HD22 LEU 13 HD22 LEU 13 2.805 -1.110 14.027 94 HD23 LEU 13 HD23 LEU 13 2.886 -0.327 12.449 95 HA PRO 14 HA PRO 14 -0.883 2.152 17.715 96 HB2 PRO 14 HB2 PRO 14 -0.954 4.913 17.377 97 HB3 PRO 14 HB1 PRO 14 0.530 3.948 17.499 98 HG2 PRO 14 HG2 PRO 14 -0.874 4.951 15.058 99 HG3 PRO 14 HG1 PRO 14 0.861 4.924 15.428 100 HD2 PRO 14 HD2 PRO 14 -0.215 3.087 13.800 101 HD3 PRO 14 HD1 PRO 14 1.063 2.642 14.955 102 H LEU 15 HN LEU 15 -2.919 3.607 15.178 103 HA LEU 15 HA LEU 15 -4.945 4.584 16.882 104 HB2 LEU 15 HB2 LEU 15 -5.025 3.652 14.008 105 HB3 LEU 15 HB1 LEU 15 -6.397 4.405 14.815 106 HG LEU 15 HG LEU 15 -3.657 5.692 14.628 107 HD11 LEU 15 HD11 LEU 15 -4.851 7.151 12.884 108 HD12 LEU 15 HD12 LEU 15 -6.063 5.872 12.808 109 HD13 LEU 15 HD13 LEU 15 -4.389 5.528 12.374 110 HD21 LEU 15 HD21 LEU 15 -6.366 6.552 15.640 111 HD22 LEU 15 HD22 LEU 15 -5.285 7.764 14.959 112 HD23 LEU 15 HD23 LEU 15 -4.775 6.818 16.350 113 H LEU 16 HN LEU 16 -4.545 1.473 15.252 114 HA LEU 16 HA LEU 16 -6.998 0.353 16.156 115 HB2 LEU 16 HB2 LEU 16 -4.461 -0.760 14.988 116 HB3 LEU 16 HB1 LEU 16 -5.667 -1.861 15.655 117 HG LEU 16 HG LEU 16 -7.373 -1.005 14.162 118 HD11 LEU 16 HD11 LEU 16 -6.587 0.722 12.393 119 HD12 LEU 16 HD12 LEU 16 -5.275 1.064 13.516 120 HD13 LEU 16 HD13 LEU 16 -6.944 1.310 14.015 121 HD21 LEU 16 HD21 LEU 16 -6.201 -1.435 11.910 122 HD22 LEU 16 HD22 LEU 16 -6.096 -2.718 13.114 123 HD23 LEU 16 HD23 LEU 16 -4.723 -1.645 12.848 124 H ASN 17 HN ASN 17 -3.714 0.384 17.449 125 HA ASN 17 HA ASN 17 -4.094 -1.467 19.537 126 HB2 ASN 17 HB2 ASN 17 -2.217 0.866 19.166 127 HB3 ASN 17 HB1 ASN 17 -2.182 -0.127 20.623 128 HD21 ASN 17 HD21 ASN 17 0.045 -0.062 18.822 129 HD22 ASN 17 HD22 ASN 17 0.180 -1.588 18.088 130 H VAL 18 HN VAL 18 -4.609 2.044 19.385 131 HA VAL 18 HA VAL 18 -5.260 2.402 22.117 132 HB VAL 18 HB VAL 18 -6.039 3.973 19.650 133 HG11 VAL 18 HG11 VAL 18 -6.469 5.797 21.412 134 HG12 VAL 18 HG12 VAL 18 -6.516 4.487 22.592 135 HG13 VAL 18 HG13 VAL 18 -7.687 4.530 21.276 136 HG21 VAL 18 HG21 VAL 18 -3.591 3.781 20.393 137 HG22 VAL 18 HG22 VAL 18 -4.069 4.672 21.837 138 HG23 VAL 18 HG23 VAL 18 -4.235 5.416 20.246 139 H ILE 19 HN ILE 19 -7.267 1.840 19.239 140 HA ILE 19 HA ILE 19 -9.762 1.850 20.587 141 HB ILE 19 HB ILE 19 -8.881 0.537 18.004 142 HG12 ILE 19 HG12 ILE 19 -8.733 2.986 17.975 143 HG13 ILE 19 HG11 ILE 19 -10.059 2.448 16.953 144 HG21 ILE 19 HG21 ILE 19 -11.609 0.804 19.268 145 HG22 ILE 19 HG22 ILE 19 -10.823 -0.653 18.664 146 HG23 ILE 19 HG23 ILE 19 -11.399 0.570 17.532 147 HD11 ILE 19 HD11 ILE 19 -11.459 2.802 19.215 148 HD12 ILE 19 HD12 ILE 19 -11.130 4.135 18.114 149 HD13 ILE 19 HD13 ILE 19 -10.140 3.919 19.554 150 H ALA 20 HN ALA 20 -7.505 -0.728 19.701 151 HA ALA 20 HA ALA 20 -9.135 -2.803 20.875 152 HB1 ALA 20 HB1 ALA 20 -6.298 -2.779 19.828 153 HB2 ALA 20 HB2 ALA 20 -7.734 -3.387 19.002 154 HB3 ALA 20 HB3 ALA 20 -7.115 -4.224 20.426 155 HN1 NH2 21 H2 NH2 21 -6.532 -1.331 23.596 156 HN2 NH2 21 H1 NH2 21 -6.743 -0.587 22.084 Start of MODEL 16 1 H1 ACE 0 HA2 ACE 0 2.618 -7.763 -2.256 2 H2 ACE 0 HA3 ACE 0 2.803 -8.778 -3.688 3 H3 ACE 0 HA1 ACE 0 1.666 -7.430 -3.702 4 H LEU 1 HN LEU 1 2.464 -5.294 -3.775 5 HA LEU 1 HA LEU 1 4.714 -4.896 -5.427 6 HB2 LEU 1 HB2 LEU 1 3.139 -2.985 -3.690 7 HB3 LEU 1 HB1 LEU 1 4.391 -2.468 -4.816 8 HG LEU 1 HG LEU 1 1.995 -4.132 -5.639 9 HD11 LEU 1 HD11 LEU 1 1.056 -2.009 -6.517 10 HD12 LEU 1 HD12 LEU 1 2.396 -1.129 -5.782 11 HD13 LEU 1 HD13 LEU 1 1.231 -1.972 -4.762 12 HD21 LEU 1 HD21 LEU 1 4.252 -2.756 -7.097 13 HD22 LEU 1 HD22 LEU 1 2.694 -2.947 -7.898 14 HD23 LEU 1 HD23 LEU 1 3.581 -4.364 -7.354 15 H GLY 2 HN GLY 2 4.238 -4.640 -1.938 16 HA2 GLY 2 HA2 GLY 2 6.080 -5.244 -0.459 17 HA3 GLY 2 HA1 GLY 2 7.178 -4.446 -1.582 18 H LEU 3 HN LEU 3 4.673 -2.513 -1.731 19 HA LEU 3 HA LEU 3 5.679 -0.701 0.377 20 HB2 LEU 3 HB2 LEU 3 3.940 -0.143 -2.039 21 HB3 LEU 3 HB1 LEU 3 4.509 1.063 -0.887 22 HG LEU 3 HG LEU 3 6.314 -0.708 -2.563 23 HD11 LEU 3 HD11 LEU 3 6.728 1.281 -3.906 24 HD12 LEU 3 HD12 LEU 3 5.674 2.241 -2.869 25 HD13 LEU 3 HD13 LEU 3 4.993 0.965 -3.876 26 HD21 LEU 3 HD21 LEU 3 7.621 -0.102 -0.712 27 HD22 LEU 3 HD22 LEU 3 6.786 1.436 -0.490 28 HD23 LEU 3 HD23 LEU 3 7.943 1.239 -1.806 29 H LEU 4 HN LEU 4 3.264 -2.922 -0.060 30 HA LEU 4 HA LEU 4 0.971 -1.586 0.908 31 HB2 LEU 4 HB2 LEU 4 1.808 -4.488 1.073 32 HB3 LEU 4 HB1 LEU 4 0.218 -3.902 1.557 33 HG LEU 4 HG LEU 4 1.407 -3.462 -1.200 34 HD11 LEU 4 HD11 LEU 4 -0.473 -5.607 -0.180 35 HD12 LEU 4 HD12 LEU 4 1.114 -5.840 -0.909 36 HD13 LEU 4 HD13 LEU 4 -0.230 -5.255 -1.891 37 HD21 LEU 4 HD21 LEU 4 -1.205 -3.224 -1.620 38 HD22 LEU 4 HD22 LEU 4 -0.289 -1.863 -0.989 39 HD23 LEU 4 HD23 LEU 4 -1.246 -2.860 0.104 40 H SER 5 HN SER 5 3.599 -3.291 2.540 41 HA SER 5 HA SER 5 2.478 -2.869 5.171 42 HB2 SER 5 HB2 SER 5 5.155 -3.909 4.230 43 HB3 SER 5 HB1 SER 5 4.688 -3.795 5.926 44 HG SER 5 HG SER 5 3.488 -5.317 3.854 45 H TYR 6 HN TYR 6 3.906 -0.825 3.025 46 HA TYR 6 HA TYR 6 5.851 0.575 4.483 47 HB2 TYR 6 HB2 TYR 6 5.365 0.894 2.058 48 HB3 TYR 6 HB1 TYR 6 3.868 1.714 2.501 49 HD1 TYR 6 HD2 TYR 6 3.893 3.920 3.561 50 HD2 TYR 6 HD1 TYR 6 7.533 1.933 2.448 51 HE1 TYR 6 HE2 TYR 6 5.133 6.051 3.820 52 HE2 TYR 6 HE1 TYR 6 8.775 4.063 2.705 53 HH TYR 6 HH TYR 6 7.228 6.946 4.020 54 H GLY 7 HN GLY 7 2.338 1.088 4.258 55 HA2 GLY 7 HA2 GLY 7 1.800 1.750 6.853 56 HA3 GLY 7 HA1 GLY 7 2.345 3.266 6.143 57 H ALA 8 HN ALA 8 0.595 0.788 4.363 58 HA ALA 8 HA ALA 8 -1.501 2.723 3.725 59 HB1 ALA 8 HB1 ALA 8 -2.132 1.226 1.990 60 HB2 ALA 8 HB2 ALA 8 -1.275 -0.122 2.738 61 HB3 ALA 8 HB3 ALA 8 -0.368 1.206 2.013 62 H GLY 9 HN GLY 9 -1.184 1.290 6.415 63 HA2 GLY 9 HA2 GLY 9 -3.689 1.204 7.368 64 HA3 GLY 9 HA1 GLY 9 -3.582 -0.357 6.562 65 H VAL 10 HN VAL 10 -0.562 -0.122 7.297 66 HA VAL 10 HA VAL 10 -0.617 -1.875 9.502 67 HB VAL 10 HB VAL 10 1.613 -0.122 8.458 68 HG11 VAL 10 HG11 VAL 10 3.046 -1.876 9.641 69 HG12 VAL 10 HG12 VAL 10 1.578 -2.363 10.486 70 HG13 VAL 10 HG13 VAL 10 2.210 -0.729 10.687 71 HG21 VAL 10 HG21 VAL 10 0.832 -1.716 6.796 72 HG22 VAL 10 HG22 VAL 10 0.850 -3.018 7.984 73 HG23 VAL 10 HG23 VAL 10 2.366 -2.294 7.445 74 H ALA 11 HN ALA 11 0.034 1.612 9.286 75 HA ALA 11 HA ALA 11 0.350 1.902 12.142 76 HB1 ALA 11 HB1 ALA 11 0.465 4.316 11.629 77 HB2 ALA 11 HB2 ALA 11 0.020 3.973 9.958 78 HB3 ALA 11 HB3 ALA 11 1.553 3.382 10.601 79 H SER 12 HN SER 12 -2.242 1.056 10.554 80 HA SER 12 HA SER 12 -4.113 2.843 12.006 81 HB2 SER 12 HB2 SER 12 -4.281 2.885 9.504 82 HB3 SER 12 HB1 SER 12 -4.668 1.168 9.543 83 HG SER 12 HG SER 12 -6.153 3.378 10.406 84 H LEU 13 HN LEU 13 -2.858 0.771 13.347 85 HA LEU 13 HA LEU 13 -5.164 -0.857 14.059 86 HB2 LEU 13 HB2 LEU 13 -4.367 -2.379 12.494 87 HB3 LEU 13 HB1 LEU 13 -2.685 -1.988 12.788 88 HG LEU 13 HG LEU 13 -2.827 -3.126 15.006 89 HD11 LEU 13 HD11 LEU 13 -5.664 -3.705 14.103 90 HD12 LEU 13 HD12 LEU 13 -5.191 -2.716 15.484 91 HD13 LEU 13 HD13 LEU 13 -4.881 -4.452 15.495 92 HD21 LEU 13 HD21 LEU 13 -3.847 -4.772 12.671 93 HD22 LEU 13 HD22 LEU 13 -3.112 -5.427 14.135 94 HD23 LEU 13 HD23 LEU 13 -2.155 -4.431 13.038 95 HA PRO 14 HA PRO 14 -1.898 -1.438 17.569 96 HB2 PRO 14 HB2 PRO 14 0.483 -0.050 17.321 97 HB3 PRO 14 HB1 PRO 14 0.263 -1.732 16.797 98 HG2 PRO 14 HG2 PRO 14 0.112 0.778 15.172 99 HG3 PRO 14 HG1 PRO 14 0.955 -0.741 14.811 100 HD2 PRO 14 HD2 PRO 14 -1.417 -0.231 13.689 101 HD3 PRO 14 HD1 PRO 14 -1.023 -1.866 14.272 102 H LEU 15 HN LEU 15 -1.335 1.744 16.025 103 HA LEU 15 HA LEU 15 -1.404 3.253 18.402 104 HB2 LEU 15 HB2 LEU 15 -1.987 4.025 15.537 105 HB3 LEU 15 HB1 LEU 15 -1.863 5.187 16.854 106 HG LEU 15 HG LEU 15 0.328 3.208 16.172 107 HD11 LEU 15 HD11 LEU 15 1.447 5.279 15.177 108 HD12 LEU 15 HD12 LEU 15 -0.148 6.035 15.207 109 HD13 LEU 15 HD13 LEU 15 0.123 4.586 14.238 110 HD21 LEU 15 HD21 LEU 15 0.048 5.530 18.077 111 HD22 LEU 15 HD22 LEU 15 1.632 5.181 17.389 112 HD23 LEU 15 HD23 LEU 15 0.797 3.956 18.337 113 H LEU 16 HN LEU 16 -3.950 2.446 16.067 114 HA LEU 16 HA LEU 16 -6.004 3.977 17.267 115 HB2 LEU 16 HB2 LEU 16 -6.161 1.449 15.609 116 HB3 LEU 16 HB1 LEU 16 -7.541 2.466 16.022 117 HG LEU 16 HG LEU 16 -5.095 3.402 14.492 118 HD11 LEU 16 HD11 LEU 16 -6.443 3.293 12.516 119 HD12 LEU 16 HD12 LEU 16 -7.898 2.939 13.448 120 HD13 LEU 16 HD13 LEU 16 -6.615 1.735 13.325 121 HD21 LEU 16 HD21 LEU 16 -7.590 4.753 15.501 122 HD22 LEU 16 HD22 LEU 16 -6.916 5.279 13.960 123 HD23 LEU 16 HD23 LEU 16 -5.939 5.366 15.421 124 H ASN 17 HN ASN 17 -4.860 0.691 17.758 125 HA ASN 17 HA ASN 17 -6.892 -0.215 19.471 126 HB2 ASN 17 HB2 ASN 17 -3.992 -0.967 19.126 127 HB3 ASN 17 HB1 ASN 17 -5.002 -1.754 20.338 128 HD21 ASN 17 HD21 ASN 17 -3.954 -3.258 18.171 129 HD22 ASN 17 HD22 ASN 17 -5.233 -3.709 17.150 130 H VAL 18 HN VAL 18 -3.901 1.578 20.146 131 HA VAL 18 HA VAL 18 -4.040 1.443 22.964 132 HB VAL 18 HB VAL 18 -2.823 3.512 21.121 133 HG11 VAL 18 HG11 VAL 18 -3.173 4.644 23.198 134 HG12 VAL 18 HG12 VAL 18 -1.495 4.100 23.227 135 HG13 VAL 18 HG13 VAL 18 -2.725 3.217 24.132 136 HG21 VAL 18 HG21 VAL 18 -1.561 1.331 22.810 137 HG22 VAL 18 HG22 VAL 18 -0.742 2.370 21.643 138 HG23 VAL 18 HG23 VAL 18 -1.909 1.168 21.088 139 H ILE 19 HN ILE 19 -5.247 3.871 20.661 140 HA ILE 19 HA ILE 19 -6.438 5.557 22.622 141 HB ILE 19 HB ILE 19 -7.190 5.260 19.707 142 HG12 ILE 19 HG12 ILE 19 -4.797 5.680 19.883 143 HG13 ILE 19 HG11 ILE 19 -5.598 7.159 19.364 144 HG21 ILE 19 HG21 ILE 19 -7.566 7.482 21.732 145 HG22 ILE 19 HG22 ILE 19 -8.830 6.537 20.946 146 HG23 ILE 19 HG23 ILE 19 -7.856 7.664 20.002 147 HD11 ILE 19 HD11 ILE 19 -5.656 7.684 21.958 148 HD12 ILE 19 HD12 ILE 19 -4.183 7.962 21.033 149 HD13 ILE 19 HD13 ILE 19 -4.345 6.506 22.013 150 H ALA 20 HN ALA 20 -7.658 2.942 20.577 151 HA ALA 20 HA ALA 20 -10.349 3.150 21.618 152 HB1 ALA 20 HB1 ALA 20 -10.843 1.283 20.175 153 HB2 ALA 20 HB2 ALA 20 -9.128 0.925 19.975 154 HB3 ALA 20 HB3 ALA 20 -9.807 2.400 19.286 155 HN1 NH2 21 H2 NH2 21 -8.232 0.681 23.931 156 HN2 NH2 21 H1 NH2 21 -7.528 1.854 22.926 Start of MODEL 17 1 H1 ACE 0 HA2 ACE 0 -1.253 -5.506 8.764 2 H2 ACE 0 HA3 ACE 0 -0.066 -5.824 10.028 3 H3 ACE 0 HA1 ACE 0 -1.332 -7.003 9.690 4 H LEU 1 HN LEU 1 -1.229 -8.217 7.734 5 HA LEU 1 HA LEU 1 1.501 -8.710 6.820 6 HB2 LEU 1 HB2 LEU 1 -1.131 -10.106 6.305 7 HB3 LEU 1 HB1 LEU 1 0.408 -10.641 5.635 8 HG LEU 1 HG LEU 1 -0.072 -10.273 8.607 9 HD11 LEU 1 HD11 LEU 1 -1.609 -11.978 7.815 10 HD12 LEU 1 HD12 LEU 1 -0.271 -12.777 8.642 11 HD13 LEU 1 HD13 LEU 1 -0.329 -12.752 6.880 12 HD21 LEU 1 HD21 LEU 1 2.141 -11.451 6.917 13 HD22 LEU 1 HD22 LEU 1 1.891 -12.017 8.566 14 HD23 LEU 1 HD23 LEU 1 2.262 -10.323 8.267 15 H GLY 2 HN GLY 2 -1.093 -6.796 5.895 16 HA2 GLY 2 HA2 GLY 2 0.027 -6.466 3.180 17 HA3 GLY 2 HA1 GLY 2 -1.699 -6.746 3.367 18 H LEU 3 HN LEU 3 -1.710 -5.160 5.919 19 HA LEU 3 HA LEU 3 -2.150 -2.585 4.664 20 HB2 LEU 3 HB2 LEU 3 -2.546 -3.549 7.500 21 HB3 LEU 3 HB1 LEU 3 -2.972 -1.935 6.936 22 HG LEU 3 HG LEU 3 -4.051 -4.506 5.742 23 HD11 LEU 3 HD11 LEU 3 -5.363 -2.553 7.657 24 HD12 LEU 3 HD12 LEU 3 -4.796 -4.170 8.077 25 HD13 LEU 3 HD13 LEU 3 -6.129 -3.972 6.940 26 HD21 LEU 3 HD21 LEU 3 -4.347 -2.928 4.051 27 HD22 LEU 3 HD22 LEU 3 -4.451 -1.573 5.175 28 HD23 LEU 3 HD23 LEU 3 -5.823 -2.662 4.973 29 H LEU 4 HN LEU 4 0.444 -4.099 6.274 30 HA LEU 4 HA LEU 4 1.556 -1.915 7.666 31 HB2 LEU 4 HB2 LEU 4 2.341 -4.217 7.985 32 HB3 LEU 4 HB1 LEU 4 2.943 -4.257 6.331 33 HG LEU 4 HG LEU 4 4.538 -2.459 6.841 34 HD11 LEU 4 HD11 LEU 4 3.585 -1.079 8.465 35 HD12 LEU 4 HD12 LEU 4 4.750 -1.976 9.433 36 HD13 LEU 4 HD13 LEU 4 3.049 -2.434 9.458 37 HD21 LEU 4 HD21 LEU 4 5.257 -4.766 7.234 38 HD22 LEU 4 HD22 LEU 4 4.562 -4.730 8.855 39 HD23 LEU 4 HD23 LEU 4 5.950 -3.713 8.468 40 H SER 5 HN SER 5 2.051 -3.067 4.334 41 HA SER 5 HA SER 5 3.914 -1.067 3.579 42 HB2 SER 5 HB2 SER 5 3.558 -3.131 2.276 43 HB3 SER 5 HB1 SER 5 1.932 -2.594 1.868 44 HG SER 5 HG SER 5 3.102 -0.637 1.053 45 H TYR 6 HN TYR 6 0.393 -1.295 3.346 46 HA TYR 6 HA TYR 6 -0.059 1.126 1.979 47 HB2 TYR 6 HB2 TYR 6 -1.780 -0.577 2.145 48 HB3 TYR 6 HB1 TYR 6 -1.820 -0.410 3.898 49 HD1 TYR 6 HD2 TYR 6 -2.193 1.639 0.778 50 HD2 TYR 6 HD1 TYR 6 -3.367 1.052 4.871 51 HE1 TYR 6 HE2 TYR 6 -3.864 3.463 0.566 52 HE2 TYR 6 HE1 TYR 6 -5.032 2.868 4.658 53 HH TYR 6 HH TYR 6 -5.783 4.532 3.362 54 H GLY 7 HN GLY 7 0.148 0.360 5.430 55 HA2 GLY 7 HA2 GLY 7 -0.628 2.859 6.456 56 HA3 GLY 7 HA1 GLY 7 0.410 1.701 7.282 57 H ALA 8 HN ALA 8 2.456 1.684 5.236 58 HA ALA 8 HA ALA 8 4.450 2.724 4.805 59 HB1 ALA 8 HB1 ALA 8 2.726 5.197 4.655 60 HB2 ALA 8 HB2 ALA 8 2.946 4.044 3.340 61 HB3 ALA 8 HB3 ALA 8 4.318 4.980 3.935 62 H GLY 9 HN GLY 9 2.904 3.129 7.639 63 HA2 GLY 9 HA2 GLY 9 3.884 3.603 9.704 64 HA3 GLY 9 HA1 GLY 9 5.243 4.347 8.870 65 H VAL 10 HN VAL 10 2.038 5.274 7.968 66 HA VAL 10 HA VAL 10 2.479 8.017 8.508 67 HB VAL 10 HB VAL 10 -0.083 6.487 8.006 68 HG11 VAL 10 HG11 VAL 10 -0.712 8.522 9.107 69 HG12 VAL 10 HG12 VAL 10 -0.937 8.807 7.381 70 HG13 VAL 10 HG13 VAL 10 0.481 9.456 8.203 71 HG21 VAL 10 HG21 VAL 10 1.795 6.639 6.226 72 HG22 VAL 10 HG22 VAL 10 1.384 8.348 6.129 73 HG23 VAL 10 HG23 VAL 10 0.175 7.127 5.739 74 H ALA 11 HN ALA 11 1.394 5.393 10.434 75 HA ALA 11 HA ALA 11 1.121 5.285 12.726 76 HB1 ALA 11 HB1 ALA 11 0.838 8.267 12.978 77 HB2 ALA 11 HB2 ALA 11 2.430 7.571 12.677 78 HB3 ALA 11 HB3 ALA 11 1.523 7.106 14.115 79 H SER 12 HN SER 12 -0.845 6.902 10.484 80 HA SER 12 HA SER 12 -3.170 7.120 12.231 81 HB2 SER 12 HB2 SER 12 -2.845 7.565 9.255 82 HB3 SER 12 HB1 SER 12 -4.325 7.859 10.160 83 HG SER 12 HG SER 12 -3.237 9.777 10.097 84 H LEU 13 HN LEU 13 -1.647 4.724 10.432 85 HA LEU 13 HA LEU 13 -4.125 3.111 10.263 86 HB2 LEU 13 HB2 LEU 13 -2.162 3.738 8.258 87 HB3 LEU 13 HB1 LEU 13 -2.063 2.014 8.577 88 HG LEU 13 HG LEU 13 -3.643 2.445 6.775 89 HD11 LEU 13 HD11 LEU 13 -5.240 0.957 7.477 90 HD12 LEU 13 HD12 LEU 13 -5.541 1.801 8.994 91 HD13 LEU 13 HD13 LEU 13 -4.123 0.766 8.825 92 HD21 LEU 13 HD21 LEU 13 -5.536 3.905 8.594 93 HD22 LEU 13 HD22 LEU 13 -5.374 3.982 6.842 94 HD23 LEU 13 HD23 LEU 13 -4.207 4.812 7.867 95 HA PRO 14 HA PRO 14 -0.486 0.131 11.635 96 HB2 PRO 14 HB2 PRO 14 1.246 2.167 12.992 97 HB3 PRO 14 HB1 PRO 14 1.711 0.721 12.072 98 HG2 PRO 14 HG2 PRO 14 1.971 3.141 11.016 99 HG3 PRO 14 HG1 PRO 14 1.428 1.771 10.028 100 HD2 PRO 14 HD2 PRO 14 -0.189 4.019 11.193 101 HD3 PRO 14 HD1 PRO 14 -0.346 3.220 9.613 102 H LEU 15 HN LEU 15 -0.992 3.044 13.653 103 HA LEU 15 HA LEU 15 -1.121 1.669 16.116 104 HB2 LEU 15 HB2 LEU 15 -2.247 4.333 15.244 105 HB3 LEU 15 HB1 LEU 15 -2.345 3.745 16.901 106 HG LEU 15 HG LEU 15 0.244 4.063 15.350 107 HD11 LEU 15 HD11 LEU 15 -1.049 5.854 17.428 108 HD12 LEU 15 HD12 LEU 15 -0.783 6.246 15.729 109 HD13 LEU 15 HD13 LEU 15 0.593 6.049 16.815 110 HD21 LEU 15 HD21 LEU 15 0.804 2.557 17.029 111 HD22 LEU 15 HD22 LEU 15 -0.465 3.116 18.114 112 HD23 LEU 15 HD23 LEU 15 1.011 4.058 17.924 113 H LEU 16 HN LEU 16 -3.638 2.615 13.808 114 HA LEU 16 HA LEU 16 -5.846 1.788 15.361 115 HB2 LEU 16 HB2 LEU 16 -5.391 2.199 12.412 116 HB3 LEU 16 HB1 LEU 16 -6.910 1.509 12.982 117 HG LEU 16 HG LEU 16 -7.240 3.464 14.461 118 HD11 LEU 16 HD11 LEU 16 -5.699 5.459 13.980 119 HD12 LEU 16 HD12 LEU 16 -4.603 4.297 13.232 120 HD13 LEU 16 HD13 LEU 16 -5.007 4.152 14.942 121 HD21 LEU 16 HD21 LEU 16 -8.176 3.501 12.187 122 HD22 LEU 16 HD22 LEU 16 -6.661 4.151 11.560 123 HD23 LEU 16 HD23 LEU 16 -7.651 5.122 12.652 124 H ASN 17 HN ASN 17 -3.805 0.062 13.036 125 HA ASN 17 HA ASN 17 -5.264 -2.347 12.974 126 HB2 ASN 17 HB2 ASN 17 -3.529 -1.845 11.339 127 HB3 ASN 17 HB1 ASN 17 -2.303 -1.846 12.607 128 HD21 ASN 17 HD21 ASN 17 -4.684 -3.983 10.982 129 HD22 ASN 17 HD22 ASN 17 -3.841 -5.420 11.302 130 H VAL 18 HN VAL 18 -2.629 -1.244 15.083 131 HA VAL 18 HA VAL 18 -2.334 -3.673 16.525 132 HB VAL 18 HB VAL 18 -1.664 -0.809 17.234 133 HG11 VAL 18 HG11 VAL 18 -1.198 -3.400 18.722 134 HG12 VAL 18 HG12 VAL 18 -1.858 -1.888 19.345 135 HG13 VAL 18 HG13 VAL 18 -0.144 -2.006 18.950 136 HG21 VAL 18 HG21 VAL 18 0.002 -3.186 16.343 137 HG22 VAL 18 HG22 VAL 18 0.642 -1.600 16.766 138 HG23 VAL 18 HG23 VAL 18 -0.398 -1.782 15.356 139 H ILE 19 HN ILE 19 -4.171 -0.702 17.186 140 HA ILE 19 HA ILE 19 -5.277 -1.564 19.650 141 HB ILE 19 HB ILE 19 -6.223 0.472 17.621 142 HG12 ILE 19 HG12 ILE 19 -4.064 0.987 18.680 143 HG13 ILE 19 HG11 ILE 19 -5.307 2.104 19.222 144 HG21 ILE 19 HG21 ILE 19 -7.525 1.353 19.671 145 HG22 ILE 19 HG22 ILE 19 -7.302 -0.265 20.336 146 HG23 ILE 19 HG23 ILE 19 -8.183 -0.048 18.823 147 HD11 ILE 19 HD11 ILE 19 -5.503 0.186 21.165 148 HD12 ILE 19 HD12 ILE 19 -4.463 1.600 21.286 149 HD13 ILE 19 HD13 ILE 19 -3.795 0.061 20.751 150 H ALA 20 HN ALA 20 -6.436 -1.701 16.303 151 HA ALA 20 HA ALA 20 -8.932 -2.942 17.000 152 HB1 ALA 20 HB1 ALA 20 -7.622 -3.012 14.283 153 HB2 ALA 20 HB2 ALA 20 -8.435 -1.573 14.899 154 HB3 ALA 20 HB3 ALA 20 -9.342 -3.067 14.669 155 HN1 NH2 21 H2 NH2 21 -6.132 -5.810 16.245 156 HN2 NH2 21 H1 NH2 21 -5.738 -4.173 16.038 Start of MODEL 18 1 H1 ACE 0 HA2 ACE 0 3.863 -4.320 -3.669 2 H2 ACE 0 HA3 ACE 0 5.052 -3.018 -3.747 3 H3 ACE 0 HA1 ACE 0 4.048 -3.211 -2.309 4 H LEU 1 HN LEU 1 6.862 -3.110 -2.232 5 HA LEU 1 HA LEU 1 8.116 -5.636 -2.188 6 HB2 LEU 1 HB2 LEU 1 8.718 -3.070 -0.713 7 HB3 LEU 1 HB1 LEU 1 9.776 -4.477 -0.680 8 HG LEU 1 HG LEU 1 8.876 -3.113 -3.234 9 HD11 LEU 1 HD11 LEU 1 11.520 -2.817 -1.778 10 HD12 LEU 1 HD12 LEU 1 10.233 -1.612 -1.762 11 HD13 LEU 1 HD13 LEU 1 11.045 -2.012 -3.275 12 HD21 LEU 1 HD21 LEU 1 10.764 -5.368 -2.566 13 HD22 LEU 1 HD22 LEU 1 11.123 -4.338 -3.952 14 HD23 LEU 1 HD23 LEU 1 9.609 -5.232 -3.892 15 H GLY 2 HN GLY 2 6.433 -3.781 0.313 16 HA2 GLY 2 HA2 GLY 2 6.054 -6.246 1.870 17 HA3 GLY 2 HA1 GLY 2 6.845 -4.886 2.666 18 H LEU 3 HN LEU 3 4.161 -4.961 0.342 19 HA LEU 3 HA LEU 3 2.132 -3.861 0.388 20 HB2 LEU 3 HB2 LEU 3 2.091 -5.065 3.164 21 HB3 LEU 3 HB1 LEU 3 0.689 -4.577 2.214 22 HG LEU 3 HG LEU 3 2.678 -6.722 1.407 23 HD11 LEU 3 HD11 LEU 3 1.142 -7.212 3.385 24 HD12 LEU 3 HD12 LEU 3 1.010 -8.322 2.021 25 HD13 LEU 3 HD13 LEU 3 -0.205 -7.067 2.257 26 HD21 LEU 3 HD21 LEU 3 1.791 -5.922 -0.617 27 HD22 LEU 3 HD22 LEU 3 0.234 -5.518 0.106 28 HD23 LEU 3 HD23 LEU 3 0.651 -7.201 -0.210 29 H LEU 4 HN LEU 4 4.580 -2.484 1.643 30 HA LEU 4 HA LEU 4 3.700 -0.852 3.776 31 HB2 LEU 4 HB2 LEU 4 5.812 -0.435 1.656 32 HB3 LEU 4 HB1 LEU 4 5.564 0.679 2.998 33 HG LEU 4 HG LEU 4 6.081 -2.288 3.366 34 HD11 LEU 4 HD11 LEU 4 8.042 -1.425 2.308 35 HD12 LEU 4 HD12 LEU 4 8.408 -1.478 4.032 36 HD13 LEU 4 HD13 LEU 4 7.993 0.055 3.266 37 HD21 LEU 4 HD21 LEU 4 5.827 0.093 5.205 38 HD22 LEU 4 HD22 LEU 4 6.901 -1.226 5.662 39 HD23 LEU 4 HD23 LEU 4 5.192 -1.541 5.397 40 H SER 5 HN SER 5 3.663 -0.341 0.256 41 HA SER 5 HA SER 5 2.649 2.292 0.315 42 HB2 SER 5 HB2 SER 5 2.450 0.130 -1.784 43 HB3 SER 5 HB1 SER 5 1.906 1.785 -2.037 44 HG SER 5 HG SER 5 3.927 2.449 -2.081 45 H TYR 6 HN TYR 6 0.991 -0.843 0.043 46 HA TYR 6 HA TYR 6 -1.626 0.279 -0.109 47 HB2 TYR 6 HB2 TYR 6 -0.672 -2.496 0.625 48 HB3 TYR 6 HB1 TYR 6 -2.366 -2.058 0.393 49 HD1 TYR 6 HD1 TYR 6 -3.106 -1.128 -1.845 50 HD2 TYR 6 HD2 TYR 6 0.762 -2.890 -1.237 51 HE1 TYR 6 HE1 TYR 6 -2.839 -1.391 -4.297 52 HE2 TYR 6 HE2 TYR 6 1.030 -3.154 -3.686 53 HH TYR 6 HH TYR 6 -0.367 -1.622 -5.862 54 H GLY 7 HN GLY 7 0.344 -1.011 2.534 55 HA2 GLY 7 HA2 GLY 7 -1.638 -0.870 4.550 56 HA3 GLY 7 HA1 GLY 7 0.101 -0.917 4.820 57 H ALA 8 HN ALA 8 0.734 1.468 3.359 58 HA ALA 8 HA ALA 8 1.090 3.689 3.875 59 HB1 ALA 8 HB1 ALA 8 -1.888 3.711 4.396 60 HB2 ALA 8 HB2 ALA 8 -1.188 3.701 2.777 61 HB3 ALA 8 HB3 ALA 8 -0.879 5.056 3.862 62 H GLY 9 HN GLY 9 0.909 1.594 6.112 63 HA2 GLY 9 HA2 GLY 9 1.877 2.585 8.287 64 HA3 GLY 9 HA1 GLY 9 0.301 3.365 8.405 65 H VAL 10 HN VAL 10 1.868 0.187 8.149 66 HA VAL 10 HA VAL 10 -0.407 -1.369 8.741 67 HB VAL 10 HB VAL 10 2.540 -1.908 9.160 68 HG11 VAL 10 HG11 VAL 10 1.700 -4.341 9.179 69 HG12 VAL 10 HG12 VAL 10 0.106 -3.667 9.518 70 HG13 VAL 10 HG13 VAL 10 1.435 -3.399 10.647 71 HG21 VAL 10 HG21 VAL 10 2.156 -3.353 7.134 72 HG22 VAL 10 HG22 VAL 10 1.932 -1.632 6.826 73 HG23 VAL 10 HG23 VAL 10 0.529 -2.682 7.024 74 H ALA 11 HN ALA 11 2.137 -0.047 10.844 75 HA ALA 11 HA ALA 11 1.061 -1.151 13.250 76 HB1 ALA 11 HB1 ALA 11 2.879 1.248 13.009 77 HB2 ALA 11 HB2 ALA 11 3.450 -0.417 12.887 78 HB3 ALA 11 HB3 ALA 11 2.713 0.156 14.383 79 H SER 12 HN SER 12 0.277 1.595 11.344 80 HA SER 12 HA SER 12 -0.772 3.299 13.352 81 HB2 SER 12 HB2 SER 12 -0.217 4.004 11.019 82 HB3 SER 12 HB1 SER 12 -1.628 3.112 10.458 83 HG SER 12 HG SER 12 -2.546 4.986 10.852 84 H LEU 13 HN LEU 13 -1.839 0.290 12.323 85 HA LEU 13 HA LEU 13 -4.683 0.852 12.707 86 HB2 LEU 13 HB2 LEU 13 -3.064 -1.362 11.571 87 HB3 LEU 13 HB1 LEU 13 -4.561 -1.852 12.355 88 HG LEU 13 HG LEU 13 -4.795 -1.405 9.899 89 HD11 LEU 13 HD11 LEU 13 -6.614 -0.915 11.800 90 HD12 LEU 13 HD12 LEU 13 -6.919 -0.537 10.109 91 HD13 LEU 13 HD13 LEU 13 -6.426 0.739 11.215 92 HD21 LEU 13 HD21 LEU 13 -3.098 0.587 10.104 93 HD22 LEU 13 HD22 LEU 13 -4.530 1.538 10.500 94 HD23 LEU 13 HD23 LEU 13 -4.426 0.706 8.951 95 HA PRO 14 HA PRO 14 -4.162 -2.323 16.300 96 HB2 PRO 14 HB2 PRO 14 -1.547 -2.849 17.091 97 HB3 PRO 14 HB1 PRO 14 -2.486 -3.869 15.985 98 HG2 PRO 14 HG2 PRO 14 -0.473 -1.752 15.349 99 HG3 PRO 14 HG1 PRO 14 -0.675 -3.364 14.631 100 HD2 PRO 14 HD2 PRO 14 -1.576 -1.192 13.356 101 HD3 PRO 14 HD1 PRO 14 -2.513 -2.705 13.339 102 H LEU 15 HN LEU 15 -1.587 0.141 16.117 103 HA LEU 15 HA LEU 15 -1.521 0.755 18.871 104 HB2 LEU 15 HB2 LEU 15 -0.857 2.436 16.446 105 HB3 LEU 15 HB1 LEU 15 -0.518 2.929 18.103 106 HG LEU 15 HG LEU 15 0.500 0.357 16.860 107 HD11 LEU 15 HD11 LEU 15 2.682 1.535 16.726 108 HD12 LEU 15 HD12 LEU 15 1.890 3.024 17.245 109 HD13 LEU 15 HD13 LEU 15 1.460 2.290 15.701 110 HD21 LEU 15 HD21 LEU 15 2.188 0.768 18.869 111 HD22 LEU 15 HD22 LEU 15 0.630 0.010 19.170 112 HD23 LEU 15 HD23 LEU 15 0.859 1.721 19.526 113 H LEU 16 HN LEU 16 -3.379 2.116 16.196 114 HA LEU 16 HA LEU 16 -4.671 4.148 17.685 115 HB2 LEU 16 HB2 LEU 16 -5.203 2.781 15.063 116 HB3 LEU 16 HB1 LEU 16 -6.414 3.866 15.734 117 HG LEU 16 HG LEU 16 -4.721 4.897 14.107 118 HD11 LEU 16 HD11 LEU 16 -4.626 6.260 16.797 119 HD12 LEU 16 HD12 LEU 16 -6.135 6.134 15.898 120 HD13 LEU 16 HD13 LEU 16 -4.760 6.979 15.196 121 HD21 LEU 16 HD21 LEU 16 -2.773 3.649 15.263 122 HD22 LEU 16 HD22 LEU 16 -2.855 4.918 16.482 123 HD23 LEU 16 HD23 LEU 16 -2.507 5.327 14.805 124 H ASN 17 HN ASN 17 -5.475 0.780 17.017 125 HA ASN 17 HA ASN 17 -8.102 0.783 18.016 126 HB2 ASN 17 HB2 ASN 17 -7.223 -1.089 16.729 127 HB3 ASN 17 HB1 ASN 17 -6.047 -1.439 17.995 128 HD21 ASN 17 HD21 ASN 17 -9.274 -2.053 16.941 129 HD22 ASN 17 HD22 ASN 17 -9.802 -2.866 18.334 130 H VAL 18 HN VAL 18 -4.985 0.309 19.646 131 HA VAL 18 HA VAL 18 -6.016 -0.407 22.180 132 HB VAL 18 HB VAL 18 -3.435 0.986 21.423 133 HG11 VAL 18 HG11 VAL 18 -4.419 -0.177 24.036 134 HG12 VAL 18 HG12 VAL 18 -3.804 1.450 23.740 135 HG13 VAL 18 HG13 VAL 18 -2.708 0.069 23.694 136 HG21 VAL 18 HG21 VAL 18 -2.459 -1.207 21.535 137 HG22 VAL 18 HG22 VAL 18 -3.904 -1.351 20.536 138 HG23 VAL 18 HG23 VAL 18 -3.935 -1.896 22.212 139 H ILE 19 HN ILE 19 -5.100 2.727 20.788 140 HA ILE 19 HA ILE 19 -5.716 4.300 23.064 141 HB ILE 19 HB ILE 19 -5.667 4.970 20.111 142 HG12 ILE 19 HG12 ILE 19 -3.497 4.265 21.018 143 HG13 ILE 19 HG11 ILE 19 -3.476 5.986 20.657 144 HG21 ILE 19 HG21 ILE 19 -5.421 7.353 20.977 145 HG22 ILE 19 HG22 ILE 19 -5.971 6.745 22.538 146 HG23 ILE 19 HG23 ILE 19 -7.027 6.643 21.130 147 HD11 ILE 19 HD11 ILE 19 -3.406 4.599 23.305 148 HD12 ILE 19 HD12 ILE 19 -4.218 6.160 23.230 149 HD13 ILE 19 HD13 ILE 19 -2.526 6.024 22.764 150 H ALA 20 HN ALA 20 -7.588 3.334 20.219 151 HA ALA 20 HA ALA 20 -9.953 4.761 20.999 152 HB1 ALA 20 HB1 ALA 20 -9.423 2.592 18.965 153 HB2 ALA 20 HB2 ALA 20 -9.688 4.310 18.673 154 HB3 ALA 20 HB3 ALA 20 -11.021 3.291 19.221 155 HN1 NH2 21 H2 NH2 21 -10.000 1.067 22.676 156 HN2 NH2 21 H1 NH2 21 -8.646 1.615 21.813 Start of MODEL 19 1 H1 ACE 0 HA2 ACE 0 7.198 -0.595 -0.348 2 H2 ACE 0 HA3 ACE 0 6.160 -0.317 -1.746 3 H3 ACE 0 HA1 ACE 0 7.905 -0.099 -1.887 4 H LEU 1 HN LEU 1 7.762 -2.643 0.054 5 HA LEU 1 HA LEU 1 8.515 -4.535 -1.904 6 HB2 LEU 1 HB2 LEU 1 7.616 -4.878 0.964 7 HB3 LEU 1 HB1 LEU 1 8.247 -6.192 -0.023 8 HG LEU 1 HG LEU 1 9.756 -3.610 0.467 9 HD11 LEU 1 HD11 LEU 1 9.429 -4.692 2.614 10 HD12 LEU 1 HD12 LEU 1 11.092 -4.970 2.097 11 HD13 LEU 1 HD13 LEU 1 9.895 -6.255 1.941 12 HD21 LEU 1 HD21 LEU 1 10.755 -4.619 -1.401 13 HD22 LEU 1 HD22 LEU 1 10.396 -6.252 -0.845 14 HD23 LEU 1 HD23 LEU 1 11.688 -5.326 -0.088 15 H GLY 2 HN GLY 2 5.480 -3.934 -0.200 16 HA2 GLY 2 HA2 GLY 2 3.694 -4.557 -2.140 17 HA3 GLY 2 HA1 GLY 2 4.110 -6.137 -1.482 18 H LEU 3 HN LEU 3 4.512 -5.287 1.220 19 HA LEU 3 HA LEU 3 1.697 -4.937 2.037 20 HB2 LEU 3 HB2 LEU 3 4.112 -5.884 3.600 21 HB3 LEU 3 HB1 LEU 3 2.462 -5.798 4.216 22 HG LEU 3 HG LEU 3 3.328 -7.454 1.826 23 HD11 LEU 3 HD11 LEU 3 3.192 -9.374 3.267 24 HD12 LEU 3 HD12 LEU 3 2.537 -8.409 4.590 25 HD13 LEU 3 HD13 LEU 3 4.214 -8.193 4.087 26 HD21 LEU 3 HD21 LEU 3 1.045 -7.077 1.478 27 HD22 LEU 3 HD22 LEU 3 0.693 -6.947 3.201 28 HD23 LEU 3 HD23 LEU 3 0.989 -8.526 2.476 29 H LEU 4 HN LEU 4 4.701 -3.290 1.935 30 HA LEU 4 HA LEU 4 4.441 -1.617 4.187 31 HB2 LEU 4 HB2 LEU 4 6.556 -1.846 2.980 32 HB3 LEU 4 HB1 LEU 4 5.839 -1.110 1.550 33 HG LEU 4 HG LEU 4 5.509 0.998 2.757 34 HD11 LEU 4 HD11 LEU 4 6.454 -0.649 5.098 35 HD12 LEU 4 HD12 LEU 4 5.084 0.458 5.001 36 HD13 LEU 4 HD13 LEU 4 6.725 1.093 5.085 37 HD21 LEU 4 HD21 LEU 4 7.848 1.629 3.007 38 HD22 LEU 4 HD22 LEU 4 7.703 0.508 1.655 39 HD23 LEU 4 HD23 LEU 4 8.317 -0.059 3.206 40 H SER 5 HN SER 5 3.330 -1.250 0.838 41 HA SER 5 HA SER 5 2.420 1.399 1.021 42 HB2 SER 5 HB2 SER 5 2.639 0.201 -1.112 43 HB3 SER 5 HB1 SER 5 1.313 -0.864 -0.657 44 HG SER 5 HG SER 5 0.515 0.818 -1.910 45 H TYR 6 HN TYR 6 0.682 -1.659 1.624 46 HA TYR 6 HA TYR 6 -1.798 -0.417 2.251 47 HB2 TYR 6 HB2 TYR 6 -0.687 -3.132 2.989 48 HB3 TYR 6 HB1 TYR 6 -2.348 -2.625 3.296 49 HD1 TYR 6 HD2 TYR 6 -3.787 -1.886 1.322 50 HD2 TYR 6 HD1 TYR 6 -0.027 -3.904 0.843 51 HE1 TYR 6 HE2 TYR 6 -4.401 -2.479 -1.006 52 HE2 TYR 6 HE1 TYR 6 -0.640 -4.496 -1.484 53 HH TYR 6 HH TYR 6 -3.774 -4.257 -2.676 54 H GLY 7 HN GLY 7 0.953 -1.481 4.202 55 HA2 GLY 7 HA2 GLY 7 -0.305 -0.444 6.656 56 HA3 GLY 7 HA1 GLY 7 1.145 -1.441 6.568 57 H ALA 8 HN ALA 8 0.660 1.324 4.487 58 HA ALA 8 HA ALA 8 3.142 2.491 5.065 59 HB1 ALA 8 HB1 ALA 8 2.326 4.439 3.856 60 HB2 ALA 8 HB2 ALA 8 0.662 3.883 4.031 61 HB3 ALA 8 HB3 ALA 8 1.794 2.972 3.033 62 H GLY 9 HN GLY 9 -0.104 3.265 6.302 63 HA2 GLY 9 HA2 GLY 9 1.157 4.630 8.612 64 HA3 GLY 9 HA1 GLY 9 -0.154 5.405 7.726 65 H VAL 10 HN VAL 10 -1.619 2.955 7.223 66 HA VAL 10 HA VAL 10 -3.236 2.891 9.538 67 HB VAL 10 HB VAL 10 -3.049 0.964 7.210 68 HG11 VAL 10 HG11 VAL 10 -4.122 -0.240 8.959 69 HG12 VAL 10 HG12 VAL 10 -5.437 0.420 7.989 70 HG13 VAL 10 HG13 VAL 10 -4.995 1.188 9.512 71 HG21 VAL 10 HG21 VAL 10 -4.955 2.194 6.345 72 HG22 VAL 10 HG22 VAL 10 -3.678 3.351 6.717 73 HG23 VAL 10 HG23 VAL 10 -5.046 3.166 7.813 74 H ALA 11 HN ALA 11 -0.826 0.598 8.287 75 HA ALA 11 HA ALA 11 0.215 -1.206 9.269 76 HB1 ALA 11 HB1 ALA 11 -0.053 0.541 11.726 77 HB2 ALA 11 HB2 ALA 11 1.235 0.659 10.527 78 HB3 ALA 11 HB3 ALA 11 1.081 -0.793 11.515 79 H SER 12 HN SER 12 -2.622 -1.434 9.078 80 HA SER 12 HA SER 12 -4.273 -2.876 9.763 81 HB2 SER 12 HB2 SER 12 -2.168 -4.339 10.194 82 HB3 SER 12 HB1 SER 12 -2.442 -3.961 11.890 83 HG SER 12 HG SER 12 -4.005 -5.349 11.864 84 H LEU 13 HN LEU 13 -3.423 -0.276 11.244 85 HA LEU 13 HA LEU 13 -4.158 0.977 13.012 86 HB2 LEU 13 HB2 LEU 13 -6.311 0.024 11.770 87 HB3 LEU 13 HB1 LEU 13 -6.546 -0.837 13.285 88 HG LEU 13 HG LEU 13 -6.046 2.154 13.280 89 HD11 LEU 13 HD11 LEU 13 -7.923 1.868 11.785 90 HD12 LEU 13 HD12 LEU 13 -8.539 2.408 13.347 91 HD13 LEU 13 HD13 LEU 13 -8.678 0.712 12.883 92 HD21 LEU 13 HD21 LEU 13 -5.944 0.863 15.418 93 HD22 LEU 13 HD22 LEU 13 -7.593 0.316 15.134 94 HD23 LEU 13 HD23 LEU 13 -7.266 2.028 15.399 95 HA PRO 14 HA PRO 14 -3.026 -2.107 16.248 96 HB2 PRO 14 HB2 PRO 14 -0.362 -1.708 16.414 97 HB3 PRO 14 HB1 PRO 14 -1.075 -2.698 15.125 98 HG2 PRO 14 HG2 PRO 14 0.103 0.012 14.967 99 HG3 PRO 14 HG1 PRO 14 -0.076 -1.214 13.704 100 HD2 PRO 14 HD2 PRO 14 -1.804 1.065 14.219 101 HD3 PRO 14 HD1 PRO 14 -1.949 -0.147 12.933 102 H LEU 15 HN LEU 15 -0.965 0.806 16.175 103 HA LEU 15 HA LEU 15 -1.064 1.288 18.949 104 HB2 LEU 15 HB2 LEU 15 -0.401 3.101 16.622 105 HB3 LEU 15 HB1 LEU 15 -0.184 3.564 18.308 106 HG LEU 15 HG LEU 15 1.064 1.087 17.078 107 HD11 LEU 15 HD11 LEU 15 3.170 2.439 17.055 108 HD12 LEU 15 HD12 LEU 15 2.219 3.864 17.474 109 HD13 LEU 15 HD13 LEU 15 1.950 3.045 15.935 110 HD21 LEU 15 HD21 LEU 15 1.263 2.486 19.746 111 HD22 LEU 15 HD22 LEU 15 2.652 1.595 19.134 112 HD23 LEU 15 HD23 LEU 15 1.127 0.763 19.402 113 H LEU 16 HN LEU 16 -2.933 2.618 16.258 114 HA LEU 16 HA LEU 16 -4.342 4.579 17.704 115 HB2 LEU 16 HB2 LEU 16 -5.080 3.005 15.234 116 HB3 LEU 16 HB1 LEU 16 -6.028 4.358 15.840 117 HG LEU 16 HG LEU 16 -3.078 4.554 15.169 118 HD11 LEU 16 HD11 LEU 16 -3.894 5.707 13.086 119 HD12 LEU 16 HD12 LEU 16 -5.521 5.150 13.478 120 HD13 LEU 16 HD13 LEU 16 -4.247 3.979 13.134 121 HD21 LEU 16 HD21 LEU 16 -5.238 6.513 15.953 122 HD22 LEU 16 HD22 LEU 16 -3.909 7.053 14.929 123 HD23 LEU 16 HD23 LEU 16 -3.576 6.400 16.529 124 H ASN 17 HN ASN 17 -4.987 1.163 17.118 125 HA ASN 17 HA ASN 17 -7.587 1.036 18.174 126 HB2 ASN 17 HB2 ASN 17 -6.585 -0.814 16.918 127 HB3 ASN 17 HB1 ASN 17 -5.416 -1.073 18.210 128 HD21 ASN 17 HD21 ASN 17 -6.849 -3.289 17.766 129 HD22 ASN 17 HD22 ASN 17 -8.099 -3.494 18.895 130 H VAL 18 HN VAL 18 -4.424 0.769 19.763 131 HA VAL 18 HA VAL 18 -5.378 0.056 22.325 132 HB VAL 18 HB VAL 18 -2.869 1.506 21.455 133 HG11 VAL 18 HG11 VAL 18 -2.064 0.740 23.771 134 HG12 VAL 18 HG12 VAL 18 -3.769 0.526 24.170 135 HG13 VAL 18 HG13 VAL 18 -3.158 2.123 23.736 136 HG21 VAL 18 HG21 VAL 18 -3.469 -1.354 22.273 137 HG22 VAL 18 HG22 VAL 18 -1.853 -0.723 21.954 138 HG23 VAL 18 HG23 VAL 18 -3.044 -0.796 20.655 139 H ILE 19 HN ILE 19 -4.596 3.227 20.907 140 HA ILE 19 HA ILE 19 -5.324 4.740 23.205 141 HB ILE 19 HB ILE 19 -5.308 5.618 20.308 142 HG12 ILE 19 HG12 ILE 19 -3.149 4.637 20.880 143 HG13 ILE 19 HG11 ILE 19 -2.986 6.388 20.808 144 HG21 ILE 19 HG21 ILE 19 -4.884 7.854 21.293 145 HG22 ILE 19 HG22 ILE 19 -5.059 7.160 22.906 146 HG23 ILE 19 HG23 ILE 19 -6.437 7.191 21.805 147 HD11 ILE 19 HD11 ILE 19 -3.001 4.588 23.221 148 HD12 ILE 19 HD12 ILE 19 -3.458 6.282 23.389 149 HD13 ILE 19 HD13 ILE 19 -1.856 5.856 22.792 150 H ALA 20 HN ALA 20 -7.043 3.799 20.253 151 HA ALA 20 HA ALA 20 -9.498 5.104 21.111 152 HB1 ALA 20 HB1 ALA 20 -9.171 3.189 18.801 153 HB2 ALA 20 HB2 ALA 20 -8.709 4.887 18.693 154 HB3 ALA 20 HB3 ALA 20 -10.387 4.449 19.010 155 HN1 NH2 21 H2 NH2 21 -9.448 1.403 22.497 156 HN2 NH2 21 H1 NH2 21 -8.066 2.335 22.177 Start of MODEL 20 1 H1 ACE 0 HA2 ACE 0 4.699 -2.468 -5.944 2 H2 ACE 0 HA3 ACE 0 5.058 -2.105 -4.257 3 H3 ACE 0 HA1 ACE 0 3.394 -2.051 -4.836 4 H LEU 1 HN LEU 1 5.990 -4.435 -5.307 5 HA LEU 1 HA LEU 1 4.309 -6.691 -5.098 6 HB2 LEU 1 HB2 LEU 1 7.293 -6.352 -4.787 7 HB3 LEU 1 HB1 LEU 1 6.501 -7.924 -4.793 8 HG LEU 1 HG LEU 1 6.171 -5.892 -7.017 9 HD11 LEU 1 HD11 LEU 1 8.053 -8.270 -6.942 10 HD12 LEU 1 HD12 LEU 1 8.554 -6.591 -6.746 11 HD13 LEU 1 HD13 LEU 1 7.851 -7.127 -8.271 12 HD21 LEU 1 HD21 LEU 1 4.428 -7.413 -7.303 13 HD22 LEU 1 HD22 LEU 1 5.318 -8.748 -6.574 14 HD23 LEU 1 HD23 LEU 1 5.694 -8.227 -8.214 15 H GLY 2 HN GLY 2 6.411 -5.092 -2.723 16 HA2 GLY 2 HA2 GLY 2 4.979 -6.512 -0.555 17 HA3 GLY 2 HA1 GLY 2 6.737 -6.441 -0.577 18 H LEU 3 HN LEU 3 6.178 -3.624 -1.842 19 HA LEU 3 HA LEU 3 6.661 -2.197 0.557 20 HB2 LEU 3 HB2 LEU 3 5.961 -1.200 -2.207 21 HB3 LEU 3 HB1 LEU 3 6.558 -0.193 -0.888 22 HG LEU 3 HG LEU 3 8.033 -2.588 -2.031 23 HD11 LEU 3 HD11 LEU 3 9.456 -0.998 -3.167 24 HD12 LEU 3 HD12 LEU 3 8.637 0.363 -2.399 25 HD13 LEU 3 HD13 LEU 3 7.786 -0.620 -3.591 26 HD21 LEU 3 HD21 LEU 3 8.586 -0.631 0.195 27 HD22 LEU 3 HD22 LEU 3 9.947 -1.228 -0.755 28 HD23 LEU 3 HD23 LEU 3 8.918 -2.362 0.113 29 H LEU 4 HN LEU 4 3.785 -3.059 -1.143 30 HA LEU 4 HA LEU 4 2.049 -1.009 -0.267 31 HB2 LEU 4 HB2 LEU 4 1.524 -3.908 -0.948 32 HB3 LEU 4 HB1 LEU 4 0.252 -2.729 -0.647 33 HG LEU 4 HG LEU 4 2.401 -2.407 -2.758 34 HD11 LEU 4 HD11 LEU 4 -0.482 -3.300 -3.066 35 HD12 LEU 4 HD12 LEU 4 0.929 -4.348 -3.214 36 HD13 LEU 4 HD13 LEU 4 0.671 -3.046 -4.377 37 HD21 LEU 4 HD21 LEU 4 0.007 -0.792 -1.896 38 HD22 LEU 4 HD22 LEU 4 0.449 -0.798 -3.603 39 HD23 LEU 4 HD23 LEU 4 1.605 -0.243 -2.398 40 H SER 5 HN SER 5 3.000 -4.095 1.159 41 HA SER 5 HA SER 5 1.274 -3.798 3.449 42 HB2 SER 5 HB2 SER 5 3.498 -5.731 2.784 43 HB3 SER 5 HB1 SER 5 2.570 -5.798 4.281 44 HG SER 5 HG SER 5 1.928 -6.792 1.931 45 H TYR 6 HN TYR 6 4.053 -2.263 2.569 46 HA TYR 6 HA TYR 6 5.683 -2.306 4.854 47 HB2 TYR 6 HB2 TYR 6 6.192 -1.276 2.592 48 HB3 TYR 6 HB1 TYR 6 5.224 0.104 3.092 49 HD1 TYR 6 HD1 TYR 6 5.885 1.377 5.191 50 HD2 TYR 6 HD2 TYR 6 8.414 -1.571 3.359 51 HE1 TYR 6 HE1 TYR 6 7.842 2.290 6.414 52 HE2 TYR 6 HE2 TYR 6 10.366 -0.661 4.576 53 HH TYR 6 HH TYR 6 10.664 0.688 6.824 54 H GLY 7 HN GLY 7 2.994 -0.155 3.967 55 HA2 GLY 7 HA2 GLY 7 1.737 0.167 6.336 56 HA3 GLY 7 HA1 GLY 7 3.109 1.262 6.495 57 H ALA 8 HN ALA 8 0.896 0.413 3.829 58 HA ALA 8 HA ALA 8 0.857 2.997 2.699 59 HB1 ALA 8 HB1 ALA 8 0.171 0.770 1.628 60 HB2 ALA 8 HB2 ALA 8 -0.823 2.177 1.254 61 HB3 ALA 8 HB3 ALA 8 -1.379 0.994 2.436 62 H GLY 9 HN GLY 9 -0.896 1.612 5.357 63 HA2 GLY 9 HA2 GLY 9 -2.550 4.073 5.561 64 HA3 GLY 9 HA1 GLY 9 -3.170 2.475 5.963 65 H VAL 10 HN VAL 10 -0.585 1.650 7.156 66 HA VAL 10 HA VAL 10 0.228 1.501 9.306 67 HB VAL 10 HB VAL 10 0.057 4.504 9.430 68 HG11 VAL 10 HG11 VAL 10 2.384 2.669 10.036 69 HG12 VAL 10 HG12 VAL 10 1.126 2.994 11.227 70 HG13 VAL 10 HG13 VAL 10 2.115 4.316 10.609 71 HG21 VAL 10 HG21 VAL 10 0.703 4.155 7.153 72 HG22 VAL 10 HG22 VAL 10 1.775 2.827 7.595 73 HG23 VAL 10 HG23 VAL 10 2.191 4.480 8.044 74 H ALA 11 HN ALA 11 -2.752 1.784 8.819 75 HA ALA 11 HA ALA 11 -3.816 3.133 11.125 76 HB1 ALA 11 HB1 ALA 11 -5.226 3.002 9.209 77 HB2 ALA 11 HB2 ALA 11 -5.937 1.931 10.417 78 HB3 ALA 11 HB3 ALA 11 -5.003 1.257 9.082 79 H SER 12 HN SER 12 -2.032 0.409 10.893 80 HA SER 12 HA SER 12 -3.542 -1.398 12.537 81 HB2 SER 12 HB2 SER 12 -0.641 -1.378 11.705 82 HB3 SER 12 HB1 SER 12 -1.407 -2.685 12.603 83 HG SER 12 HG SER 12 -1.642 -3.260 10.516 84 H LEU 13 HN LEU 13 -1.820 1.410 13.281 85 HA LEU 13 HA LEU 13 -1.259 0.461 16.036 86 HB2 LEU 13 HB2 LEU 13 0.300 2.045 14.175 87 HB3 LEU 13 HB1 LEU 13 -0.009 2.997 15.621 88 HG LEU 13 HG LEU 13 0.789 0.942 16.953 89 HD11 LEU 13 HD11 LEU 13 0.635 -0.727 15.183 90 HD12 LEU 13 HD12 LEU 13 2.327 -0.547 15.649 91 HD13 LEU 13 HD13 LEU 13 1.736 0.202 14.167 92 HD21 LEU 13 HD21 LEU 13 2.632 2.495 15.115 93 HD22 LEU 13 HD22 LEU 13 3.210 1.496 16.450 94 HD23 LEU 13 HD23 LEU 13 2.188 2.896 16.774 95 HA PRO 14 HA PRO 14 -3.352 4.907 16.499 96 HB2 PRO 14 HB2 PRO 14 -5.052 4.696 14.032 97 HB3 PRO 14 HB1 PRO 14 -4.347 6.136 14.795 98 HG2 PRO 14 HG2 PRO 14 -3.287 5.109 12.588 99 HG3 PRO 14 HG1 PRO 14 -2.258 5.761 13.877 100 HD2 PRO 14 HD2 PRO 14 -2.790 2.905 13.166 101 HD3 PRO 14 HD1 PRO 14 -1.317 3.652 13.803 102 H LEU 15 HN LEU 15 -5.178 2.331 14.794 103 HA LEU 15 HA LEU 15 -7.554 2.615 16.300 104 HB2 LEU 15 HB2 LEU 15 -6.395 0.256 14.803 105 HB3 LEU 15 HB1 LEU 15 -7.992 0.236 15.544 106 HG LEU 15 HG LEU 15 -7.129 2.337 13.535 107 HD11 LEU 15 HD11 LEU 15 -8.472 -0.344 13.128 108 HD12 LEU 15 HD12 LEU 15 -6.998 0.254 12.366 109 HD13 LEU 15 HD13 LEU 15 -8.559 0.955 11.937 110 HD21 LEU 15 HD21 LEU 15 -9.045 3.156 14.643 111 HD22 LEU 15 HD22 LEU 15 -9.739 1.549 14.843 112 HD23 LEU 15 HD23 LEU 15 -9.747 2.321 13.262 113 H LEU 16 HN LEU 16 -4.702 0.569 16.715 114 HA LEU 16 HA LEU 16 -5.630 -0.855 18.978 115 HB2 LEU 16 HB2 LEU 16 -2.908 -0.271 17.826 116 HB3 LEU 16 HB1 LEU 16 -3.063 -1.106 19.371 117 HG LEU 16 HG LEU 16 -4.466 -2.830 18.319 118 HD11 LEU 16 HD11 LEU 16 -5.618 -1.739 16.578 119 HD12 LEU 16 HD12 LEU 16 -4.461 -2.745 15.709 120 HD13 LEU 16 HD13 LEU 16 -4.149 -1.023 15.923 121 HD21 LEU 16 HD21 LEU 16 -2.694 -3.746 16.743 122 HD22 LEU 16 HD22 LEU 16 -2.098 -3.278 18.336 123 HD23 LEU 16 HD23 LEU 16 -1.830 -2.221 16.950 124 H ASN 17 HN ASN 17 -3.861 2.177 18.583 125 HA ASN 17 HA ASN 17 -3.250 2.639 21.291 126 HB2 ASN 17 HB2 ASN 17 -3.723 4.548 18.992 127 HB3 ASN 17 HB1 ASN 17 -3.147 5.055 20.579 128 HD21 ASN 17 HD21 ASN 17 -1.496 2.562 20.948 129 HD22 ASN 17 HD22 ASN 17 -0.165 2.756 19.916 130 H VAL 18 HN VAL 18 -6.099 3.482 19.347 131 HA VAL 18 HA VAL 18 -7.405 5.003 21.357 132 HB VAL 18 HB VAL 18 -8.505 3.474 18.988 133 HG11 VAL 18 HG11 VAL 18 -10.350 3.754 20.465 134 HG12 VAL 18 HG12 VAL 18 -10.458 5.115 19.347 135 HG13 VAL 18 HG13 VAL 18 -9.804 5.353 20.968 136 HG21 VAL 18 HG21 VAL 18 -8.139 6.457 19.351 137 HG22 VAL 18 HG22 VAL 18 -8.446 5.577 17.854 138 HG23 VAL 18 HG23 VAL 18 -6.883 5.435 18.656 139 H ILE 19 HN ILE 19 -7.653 1.593 20.390 140 HA ILE 19 HA ILE 19 -9.612 0.856 22.308 141 HB ILE 19 HB ILE 19 -7.503 -0.775 20.870 142 HG12 ILE 19 HG12 ILE 19 -10.490 -0.619 20.404 143 HG13 ILE 19 HG11 ILE 19 -9.343 0.422 19.562 144 HG21 ILE 19 HG21 ILE 19 -8.119 -2.037 22.809 145 HG22 ILE 19 HG22 ILE 19 -9.092 -2.684 21.486 146 HG23 ILE 19 HG23 ILE 19 -9.814 -1.575 22.653 147 HD11 ILE 19 HD11 ILE 19 -9.974 -1.699 18.318 148 HD12 ILE 19 HD12 ILE 19 -9.123 -2.597 19.575 149 HD13 ILE 19 HD13 ILE 19 -8.244 -1.459 18.555 150 H ALA 20 HN ALA 20 -6.077 0.764 22.295 151 HA ALA 20 HA ALA 20 -5.870 -0.349 24.940 152 HB1 ALA 20 HB1 ALA 20 -3.467 0.124 24.691 153 HB2 ALA 20 HB2 ALA 20 -3.799 1.047 23.225 154 HB3 ALA 20 HB3 ALA 20 -4.104 -0.690 23.262 155 HN1 NH2 21 H2 NH2 21 -5.880 3.721 25.106 156 HN2 NH2 21 H1 NH2 21 -6.039 2.919 23.618 Start of MODEL 21 1 H1 ACE 0 HA2 ACE 0 1.935 -7.144 0.715 2 H2 ACE 0 HA3 ACE 0 3.506 -7.834 0.309 3 H3 ACE 0 HA1 ACE 0 3.412 -6.364 1.280 4 H LEU 1 HN LEU 1 4.150 -6.890 3.259 5 HA LEU 1 HA LEU 1 3.984 -9.448 4.443 6 HB2 LEU 1 HB2 LEU 1 4.436 -6.710 5.635 7 HB3 LEU 1 HB1 LEU 1 4.561 -8.201 6.565 8 HG LEU 1 HG LEU 1 6.136 -7.671 4.027 9 HD11 LEU 1 HD11 LEU 1 7.174 -7.482 6.865 10 HD12 LEU 1 HD12 LEU 1 6.651 -6.073 5.940 11 HD13 LEU 1 HD13 LEU 1 8.011 -7.045 5.377 12 HD21 LEU 1 HD21 LEU 1 6.057 -9.884 6.070 13 HD22 LEU 1 HD22 LEU 1 7.596 -9.504 5.303 14 HD23 LEU 1 HD23 LEU 1 6.220 -9.983 4.317 15 H GLY 2 HN GLY 2 1.981 -6.544 4.777 16 HA2 GLY 2 HA2 GLY 2 -0.425 -7.856 5.211 17 HA3 GLY 2 HA1 GLY 2 0.279 -7.594 6.804 18 H LEU 3 HN LEU 3 -0.457 -5.847 3.784 19 HA LEU 3 HA LEU 3 -1.128 -3.675 3.407 20 HB2 LEU 3 HB2 LEU 3 -2.365 -3.994 6.155 21 HB3 LEU 3 HB1 LEU 3 -2.835 -2.820 4.927 22 HG LEU 3 HG LEU 3 -2.977 -5.831 4.601 23 HD11 LEU 3 HD11 LEU 3 -5.181 -3.787 5.014 24 HD12 LEU 3 HD12 LEU 3 -4.627 -4.947 6.222 25 HD13 LEU 3 HD13 LEU 3 -5.411 -5.515 4.748 26 HD21 LEU 3 HD21 LEU 3 -2.746 -5.007 2.419 27 HD22 LEU 3 HD22 LEU 3 -3.571 -3.492 2.789 28 HD23 LEU 3 HD23 LEU 3 -4.496 -4.983 2.618 29 H LEU 4 HN LEU 4 1.236 -4.421 5.396 30 HA LEU 4 HA LEU 4 1.614 -2.199 7.083 31 HB2 LEU 4 HB2 LEU 4 2.863 -4.317 7.312 32 HB3 LEU 4 HB1 LEU 4 3.700 -3.983 5.798 33 HG LEU 4 HG LEU 4 4.621 -1.891 6.801 34 HD11 LEU 4 HD11 LEU 4 4.453 -1.930 9.434 35 HD12 LEU 4 HD12 LEU 4 2.973 -2.839 9.138 36 HD13 LEU 4 HD13 LEU 4 3.153 -1.209 8.490 37 HD21 LEU 4 HD21 LEU 4 5.157 -4.363 8.477 38 HD22 LEU 4 HD22 LEU 4 6.255 -3.006 8.218 39 HD23 LEU 4 HD23 LEU 4 5.842 -4.076 6.876 40 H SER 5 HN SER 5 2.532 -2.798 3.716 41 HA SER 5 HA SER 5 4.242 -0.641 3.302 42 HB2 SER 5 HB2 SER 5 2.228 -1.838 1.387 43 HB3 SER 5 HB1 SER 5 3.555 -0.778 0.926 44 HG SER 5 HG SER 5 4.793 -2.462 0.979 45 H TYR 6 HN TYR 6 0.686 -0.748 3.064 46 HA TYR 6 HA TYR 6 0.370 1.965 2.286 47 HB2 TYR 6 HB2 TYR 6 -1.493 -0.003 3.627 48 HB3 TYR 6 HB1 TYR 6 -1.985 1.632 3.183 49 HD1 TYR 6 HD1 TYR 6 -1.979 2.349 0.809 50 HD2 TYR 6 HD2 TYR 6 -1.157 -1.709 1.950 51 HE1 TYR 6 HE1 TYR 6 -2.356 1.616 -1.531 52 HE2 TYR 6 HE2 TYR 6 -1.538 -2.444 -0.388 53 HH TYR 6 HH TYR 6 -1.479 -0.504 -2.956 54 H GLY 7 HN GLY 7 0.396 0.326 5.419 55 HA2 GLY 7 HA2 GLY 7 -0.145 2.684 6.961 56 HA3 GLY 7 HA1 GLY 7 0.421 1.134 7.577 57 H ALA 8 HN ALA 8 2.426 1.972 5.107 58 HA ALA 8 HA ALA 8 4.635 2.487 6.834 59 HB1 ALA 8 HB1 ALA 8 4.712 1.338 4.574 60 HB2 ALA 8 HB2 ALA 8 5.956 2.557 4.852 61 HB3 ALA 8 HB3 ALA 8 4.556 2.939 3.850 62 H GLY 9 HN GLY 9 2.186 4.510 5.738 63 HA2 GLY 9 HA2 GLY 9 3.793 6.893 6.415 64 HA3 GLY 9 HA1 GLY 9 2.929 6.868 4.882 65 H VAL 10 HN VAL 10 0.624 5.421 5.858 66 HA VAL 10 HA VAL 10 -0.957 7.585 6.742 67 HB VAL 10 HB VAL 10 -1.486 4.609 6.898 68 HG11 VAL 10 HG11 VAL 10 -3.064 5.585 8.354 69 HG12 VAL 10 HG12 VAL 10 -3.921 5.519 6.815 70 HG13 VAL 10 HG13 VAL 10 -3.216 7.037 7.367 71 HG21 VAL 10 HG21 VAL 10 -2.477 6.628 4.869 72 HG22 VAL 10 HG22 VAL 10 -2.572 4.870 4.780 73 HG23 VAL 10 HG23 VAL 10 -1.012 5.675 4.625 74 H ALA 11 HN ALA 11 0.327 4.761 8.479 75 HA ALA 11 HA ALA 11 0.289 4.274 10.765 76 HB1 ALA 11 HB1 ALA 11 1.651 6.974 10.714 77 HB2 ALA 11 HB2 ALA 11 2.420 5.443 10.296 78 HB3 ALA 11 HB3 ALA 11 1.849 5.723 11.941 79 H SER 12 HN SER 12 -2.098 5.793 9.850 80 HA SER 12 HA SER 12 -2.831 7.066 12.437 81 HB2 SER 12 HB2 SER 12 -2.602 8.631 10.438 82 HB3 SER 12 HB1 SER 12 -3.988 7.796 9.744 83 HG SER 12 HG SER 12 -4.209 8.606 12.390 84 H LEU 13 HN LEU 13 -3.110 4.296 11.818 85 HA LEU 13 HA LEU 13 -5.760 3.877 12.584 86 HB2 LEU 13 HB2 LEU 13 -5.444 4.288 9.753 87 HB3 LEU 13 HB1 LEU 13 -5.867 2.597 9.997 88 HG LEU 13 HG LEU 13 -7.416 4.855 11.299 89 HD11 LEU 13 HD11 LEU 13 -9.071 4.479 9.453 90 HD12 LEU 13 HD12 LEU 13 -7.874 3.467 8.643 91 HD13 LEU 13 HD13 LEU 13 -7.553 5.183 8.893 92 HD21 LEU 13 HD21 LEU 13 -8.207 2.007 10.616 93 HD22 LEU 13 HD22 LEU 13 -9.104 3.152 11.614 94 HD23 LEU 13 HD23 LEU 13 -7.576 2.484 12.189 95 HA PRO 14 HA PRO 14 -3.587 -0.349 11.359 96 HB2 PRO 14 HB2 PRO 14 -0.786 0.691 11.150 97 HB3 PRO 14 HB1 PRO 14 -1.590 -0.582 10.210 98 HG2 PRO 14 HG2 PRO 14 -1.129 1.819 9.161 99 HG3 PRO 14 HG1 PRO 14 -2.621 0.931 8.798 100 HD2 PRO 14 HD2 PRO 14 -2.217 3.268 10.637 101 HD3 PRO 14 HD1 PRO 14 -3.592 2.886 9.585 102 H LEU 15 HN LEU 15 -1.479 2.031 13.002 103 HA LEU 15 HA LEU 15 -0.636 0.282 15.060 104 HB2 LEU 15 HB2 LEU 15 -0.747 3.297 14.898 105 HB3 LEU 15 HB1 LEU 15 -0.026 2.430 16.249 106 HG LEU 15 HG LEU 15 0.807 1.988 13.368 107 HD11 LEU 15 HD11 LEU 15 2.790 3.407 13.965 108 HD12 LEU 15 HD12 LEU 15 1.968 3.850 15.461 109 HD13 LEU 15 HD13 LEU 15 1.274 4.305 13.904 110 HD21 LEU 15 HD21 LEU 15 1.819 1.079 16.065 111 HD22 LEU 15 HD22 LEU 15 2.957 1.263 14.734 112 HD23 LEU 15 HD23 LEU 15 1.606 0.148 14.584 113 H LEU 16 HN LEU 16 -3.253 2.655 14.871 114 HA LEU 16 HA LEU 16 -4.134 2.374 17.544 115 HB2 LEU 16 HB2 LEU 16 -5.413 3.386 15.013 116 HB3 LEU 16 HB1 LEU 16 -6.367 3.230 16.485 117 HG LEU 16 HG LEU 16 -5.323 5.514 16.102 118 HD11 LEU 16 HD11 LEU 16 -4.177 4.380 18.644 119 HD12 LEU 16 HD12 LEU 16 -5.925 4.393 18.418 120 HD13 LEU 16 HD13 LEU 16 -5.019 5.902 18.374 121 HD21 LEU 16 HD21 LEU 16 -3.152 4.455 15.242 122 HD22 LEU 16 HD22 LEU 16 -2.747 4.170 16.934 123 HD23 LEU 16 HD23 LEU 16 -2.976 5.817 16.348 124 H ASN 17 HN ASN 17 -4.966 0.706 14.550 125 HA ASN 17 HA ASN 17 -7.140 -0.795 15.526 126 HB2 ASN 17 HB2 ASN 17 -5.163 -1.297 13.296 127 HB3 ASN 17 HB1 ASN 17 -6.539 -2.353 13.617 128 HD21 ASN 17 HD21 ASN 17 -6.200 -0.756 11.182 129 HD22 ASN 17 HD22 ASN 17 -7.485 0.351 11.138 130 H VAL 18 HN VAL 18 -3.656 -1.461 15.462 131 HA VAL 18 HA VAL 18 -3.805 -4.116 16.447 132 HB VAL 18 HB VAL 18 -1.604 -2.041 16.555 133 HG11 VAL 18 HG11 VAL 18 -1.643 -4.946 17.404 134 HG12 VAL 18 HG12 VAL 18 -1.124 -3.550 18.349 135 HG13 VAL 18 HG13 VAL 18 -0.151 -4.104 16.987 136 HG21 VAL 18 HG21 VAL 18 -2.398 -2.979 14.327 137 HG22 VAL 18 HG22 VAL 18 -1.847 -4.557 14.886 138 HG23 VAL 18 HG23 VAL 18 -0.691 -3.240 14.685 139 H ILE 19 HN ILE 19 -3.327 -0.983 18.045 140 HA ILE 19 HA ILE 19 -3.103 -1.996 20.681 141 HB ILE 19 HB ILE 19 -3.939 0.716 19.625 142 HG12 ILE 19 HG12 ILE 19 -1.371 -0.204 20.946 143 HG13 ILE 19 HG11 ILE 19 -1.601 -0.154 19.199 144 HG21 ILE 19 HG21 ILE 19 -3.314 1.417 22.024 145 HG22 ILE 19 HG22 ILE 19 -3.488 -0.287 22.443 146 HG23 ILE 19 HG23 ILE 19 -4.868 0.611 21.812 147 HD11 ILE 19 HD11 ILE 19 -2.192 2.286 19.422 148 HD12 ILE 19 HD12 ILE 19 -0.523 1.908 19.854 149 HD13 ILE 19 HD13 ILE 19 -1.723 2.187 21.119 150 H ALA 20 HN ALA 20 -5.844 -0.797 18.784 151 HA ALA 20 HA ALA 20 -7.738 -1.201 20.923 152 HB1 ALA 20 HB1 ALA 20 -8.092 -0.632 17.972 153 HB2 ALA 20 HB2 ALA 20 -8.210 0.520 19.302 154 HB3 ALA 20 HB3 ALA 20 -9.426 -0.744 19.121 155 HN1 NH2 21 H2 NH2 21 -7.312 -4.647 18.967 156 HN2 NH2 21 H1 NH2 21 -6.155 -3.404 18.936 Start of MODEL 22 1 H1 ACE 0 HA2 ACE 0 6.556 -1.531 -4.136 2 H2 ACE 0 HA3 ACE 0 8.247 -1.950 -4.408 3 H3 ACE 0 HA1 ACE 0 7.615 -1.861 -2.765 4 H LEU 1 HN LEU 1 7.424 -3.826 -1.906 5 HA LEU 1 HA LEU 1 7.373 -6.241 -3.370 6 HB2 LEU 1 HB2 LEU 1 6.631 -5.602 -0.510 7 HB3 LEU 1 HB1 LEU 1 6.692 -7.242 -1.146 8 HG LEU 1 HG LEU 1 9.041 -5.334 -1.327 9 HD11 LEU 1 HD11 LEU 1 8.251 -7.262 0.866 10 HD12 LEU 1 HD12 LEU 1 8.657 -5.551 1.016 11 HD13 LEU 1 HD13 LEU 1 9.917 -6.728 0.640 12 HD21 LEU 1 HD21 LEU 1 8.627 -8.299 -1.760 13 HD22 LEU 1 HD22 LEU 1 10.221 -7.670 -1.353 14 HD23 LEU 1 HD23 LEU 1 9.413 -7.130 -2.820 15 H GLY 2 HN GLY 2 4.813 -4.326 -1.848 16 HA2 GLY 2 HA2 GLY 2 2.810 -4.922 -3.669 17 HA3 GLY 2 HA1 GLY 2 2.698 -6.152 -2.412 18 H LEU 3 HN LEU 3 3.068 -2.613 -2.706 19 HA LEU 3 HA LEU 3 2.297 -0.904 -1.347 20 HB2 LEU 3 HB2 LEU 3 -0.190 -2.629 -1.435 21 HB3 LEU 3 HB1 LEU 3 -0.128 -0.901 -1.091 22 HG LEU 3 HG LEU 3 0.776 -2.190 -3.685 23 HD11 LEU 3 HD11 LEU 3 -1.615 -2.335 -3.570 24 HD12 LEU 3 HD12 LEU 3 -1.258 -0.929 -4.573 25 HD13 LEU 3 HD13 LEU 3 -1.746 -0.711 -2.893 26 HD21 LEU 3 HD21 LEU 3 2.022 -0.208 -3.536 27 HD22 LEU 3 HD22 LEU 3 0.770 0.636 -2.624 28 HD23 LEU 3 HD23 LEU 3 0.569 0.360 -4.354 29 H LEU 4 HN LEU 4 3.350 -3.476 -0.033 30 HA LEU 4 HA LEU 4 1.973 -3.880 2.404 31 HB2 LEU 4 HB2 LEU 4 3.943 -5.201 1.237 32 HB3 LEU 4 HB1 LEU 4 4.965 -4.136 2.188 33 HG LEU 4 HG LEU 4 4.634 -6.162 3.446 34 HD11 LEU 4 HD11 LEU 4 4.421 -3.856 4.601 35 HD12 LEU 4 HD12 LEU 4 3.914 -5.286 5.495 36 HD13 LEU 4 HD13 LEU 4 2.706 -4.248 4.743 37 HD21 LEU 4 HD21 LEU 4 2.628 -7.273 3.753 38 HD22 LEU 4 HD22 LEU 4 2.327 -6.568 2.169 39 HD23 LEU 4 HD23 LEU 4 1.653 -5.814 3.613 40 H SER 5 HN SER 5 4.643 -1.740 1.487 41 HA SER 5 HA SER 5 4.836 -0.546 4.111 42 HB2 SER 5 HB2 SER 5 6.755 -0.813 2.472 43 HB3 SER 5 HB1 SER 5 6.025 0.486 1.534 44 HG SER 5 HG SER 5 6.197 1.055 4.196 45 H TYR 6 HN TYR 6 2.612 -0.246 1.687 46 HA TYR 6 HA TYR 6 2.255 2.520 1.377 47 HB2 TYR 6 HB2 TYR 6 1.108 0.743 0.034 48 HB3 TYR 6 HB1 TYR 6 0.082 0.416 1.430 49 HD1 TYR 6 HD1 TYR 6 -1.582 2.040 2.196 50 HD2 TYR 6 HD2 TYR 6 0.892 2.811 -1.231 51 HE1 TYR 6 HE1 TYR 6 -3.075 3.909 1.538 52 HE2 TYR 6 HE2 TYR 6 -0.596 4.680 -1.888 53 HH TYR 6 HH TYR 6 -2.258 6.055 -1.141 54 H GLY 7 HN GLY 7 0.828 0.263 3.732 55 HA2 GLY 7 HA2 GLY 7 0.870 1.613 6.024 56 HA3 GLY 7 HA1 GLY 7 -0.430 2.464 5.194 57 H ALA 8 HN ALA 8 0.386 -0.991 5.091 58 HA ALA 8 HA ALA 8 -2.296 -1.840 5.333 59 HB1 ALA 8 HB1 ALA 8 -1.364 -4.076 5.614 60 HB2 ALA 8 HB2 ALA 8 0.227 -3.394 5.953 61 HB3 ALA 8 HB3 ALA 8 -0.486 -3.215 4.350 62 H GLY 9 HN GLY 9 0.290 -1.421 7.708 63 HA2 GLY 9 HA2 GLY 9 -1.342 -0.840 9.869 64 HA3 GLY 9 HA1 GLY 9 -1.106 -2.585 9.903 65 H VAL 10 HN VAL 10 1.066 0.094 9.024 66 HA VAL 10 HA VAL 10 3.349 -1.057 10.213 67 HB VAL 10 HB VAL 10 2.721 1.803 9.452 68 HG11 VAL 10 HG11 VAL 10 5.288 0.505 10.395 69 HG12 VAL 10 HG12 VAL 10 4.491 1.931 11.060 70 HG13 VAL 10 HG13 VAL 10 5.264 2.009 9.476 71 HG21 VAL 10 HG21 VAL 10 4.175 1.251 7.515 72 HG22 VAL 10 HG22 VAL 10 2.752 0.213 7.580 73 HG23 VAL 10 HG23 VAL 10 4.317 -0.403 8.112 74 H ALA 11 HN ALA 11 1.107 1.449 11.372 75 HA ALA 11 HA ALA 11 1.469 0.718 14.106 76 HB1 ALA 11 HB1 ALA 11 3.630 1.914 13.627 77 HB2 ALA 11 HB2 ALA 11 2.673 2.626 14.924 78 HB3 ALA 11 HB3 ALA 11 2.686 3.372 13.327 79 H SER 12 HN SER 12 0.285 2.930 11.679 80 HA SER 12 HA SER 12 -1.321 4.576 13.314 81 HB2 SER 12 HB2 SER 12 -2.521 5.106 11.227 82 HB3 SER 12 HB1 SER 12 -0.774 5.157 11.001 83 HG SER 12 HG SER 12 -1.014 3.657 9.564 84 H LEU 13 HN LEU 13 -1.627 1.285 12.501 85 HA LEU 13 HA LEU 13 -4.531 1.232 12.767 86 HB2 LEU 13 HB2 LEU 13 -2.406 -0.672 11.938 87 HB3 LEU 13 HB1 LEU 13 -3.820 -1.394 12.700 88 HG LEU 13 HG LEU 13 -3.981 -1.244 10.208 89 HD11 LEU 13 HD11 LEU 13 -6.245 -0.836 10.236 90 HD12 LEU 13 HD12 LEU 13 -6.095 0.640 11.185 91 HD13 LEU 13 HD13 LEU 13 -5.982 -0.933 11.975 92 HD21 LEU 13 HD21 LEU 13 -3.987 0.799 9.055 93 HD22 LEU 13 HD22 LEU 13 -2.729 1.059 10.261 94 HD23 LEU 13 HD23 LEU 13 -4.340 1.735 10.505 95 HA PRO 14 HA PRO 14 -3.478 -1.377 16.699 96 HB2 PRO 14 HB2 PRO 14 -0.860 -1.151 17.613 97 HB3 PRO 14 HB1 PRO 14 -1.469 -2.487 16.616 98 HG2 PRO 14 HG2 PRO 14 0.009 -0.028 15.778 99 HG3 PRO 14 HG1 PRO 14 0.233 -1.710 15.254 100 HD2 PRO 14 HD2 PRO 14 -1.085 0.020 13.702 101 HD3 PRO 14 HD1 PRO 14 -1.648 -1.663 13.857 102 H LEU 15 HN LEU 15 -1.552 1.614 16.340 103 HA LEU 15 HA LEU 15 -1.774 2.460 19.018 104 HB2 LEU 15 HB2 LEU 15 -1.428 4.044 16.464 105 HB3 LEU 15 HB1 LEU 15 -1.303 4.746 18.077 106 HG LEU 15 HG LEU 15 0.368 2.413 17.094 107 HD11 LEU 15 HD11 LEU 15 2.214 4.164 17.093 108 HD12 LEU 15 HD12 LEU 15 0.944 5.382 17.212 109 HD13 LEU 15 HD13 LEU 15 1.020 4.320 15.805 110 HD21 LEU 15 HD21 LEU 15 0.493 2.231 19.404 111 HD22 LEU 15 HD22 LEU 15 0.185 3.946 19.676 112 HD23 LEU 15 HD23 LEU 15 1.778 3.407 19.150 113 H LEU 16 HN LEU 16 -3.802 3.126 16.193 114 HA LEU 16 HA LEU 16 -5.613 4.840 17.567 115 HB2 LEU 16 HB2 LEU 16 -5.604 3.405 14.938 116 HB3 LEU 16 HB1 LEU 16 -7.139 4.035 15.534 117 HG LEU 16 HG LEU 16 -6.222 6.276 15.695 118 HD11 LEU 16 HD11 LEU 16 -3.624 4.888 15.033 119 HD12 LEU 16 HD12 LEU 16 -3.973 5.979 16.370 120 HD13 LEU 16 HD13 LEU 16 -3.842 6.611 14.730 121 HD21 LEU 16 HD21 LEU 16 -5.628 4.858 13.086 122 HD22 LEU 16 HD22 LEU 16 -5.581 6.612 13.258 123 HD23 LEU 16 HD23 LEU 16 -7.090 5.739 13.523 124 H ASN 17 HN ASN 17 -5.533 1.366 16.954 125 HA ASN 17 HA ASN 17 -8.120 0.751 17.879 126 HB2 ASN 17 HB2 ASN 17 -5.571 -0.878 17.834 127 HB3 ASN 17 HB1 ASN 17 -7.146 -1.540 18.273 128 HD21 ASN 17 HD21 ASN 17 -5.373 -2.066 15.834 129 HD22 ASN 17 HD22 ASN 17 -6.390 -1.777 14.508 130 H VAL 18 HN VAL 18 -5.012 1.025 19.572 131 HA VAL 18 HA VAL 18 -5.935 0.137 22.101 132 HB VAL 18 HB VAL 18 -3.639 1.944 21.312 133 HG11 VAL 18 HG11 VAL 18 -4.104 2.530 23.574 134 HG12 VAL 18 HG12 VAL 18 -2.821 1.323 23.671 135 HG13 VAL 18 HG13 VAL 18 -4.491 0.865 24.006 136 HG21 VAL 18 HG21 VAL 18 -3.694 -0.525 20.638 137 HG22 VAL 18 HG22 VAL 18 -3.617 -0.896 22.360 138 HG23 VAL 18 HG23 VAL 18 -2.295 -0.020 21.586 139 H ILE 19 HN ILE 19 -5.625 3.378 20.671 140 HA ILE 19 HA ILE 19 -6.589 4.814 22.915 141 HB ILE 19 HB ILE 19 -6.600 5.480 19.959 142 HG12 ILE 19 HG12 ILE 19 -4.843 6.527 22.195 143 HG13 ILE 19 HG11 ILE 19 -4.395 5.155 21.181 144 HG21 ILE 19 HG21 ILE 19 -7.309 7.132 22.396 145 HG22 ILE 19 HG22 ILE 19 -8.292 6.850 20.958 146 HG23 ILE 19 HG23 ILE 19 -6.847 7.856 20.857 147 HD11 ILE 19 HD11 ILE 19 -3.494 7.392 20.396 148 HD12 ILE 19 HD12 ILE 19 -5.158 7.860 20.057 149 HD13 ILE 19 HD13 ILE 19 -4.430 6.506 19.193 150 H ALA 20 HN ALA 20 -8.160 3.487 20.036 151 HA ALA 20 HA ALA 20 -10.801 4.347 20.885 152 HB1 ALA 20 HB1 ALA 20 -11.578 3.310 18.853 153 HB2 ALA 20 HB2 ALA 20 -10.052 2.451 18.649 154 HB3 ALA 20 HB3 ALA 20 -10.105 4.206 18.479 155 HN1 NH2 21 H2 NH2 21 -10.000 0.668 22.252 156 HN2 NH2 21 H1 NH2 21 -8.792 1.732 21.712 Start of MODEL 23 1 H1 ACE 0 HA2 ACE 0 3.740 -3.825 -5.614 2 H2 ACE 0 HA3 ACE 0 4.847 -2.776 -6.500 3 H3 ACE 0 HA1 ACE 0 4.405 -2.389 -4.836 4 H LEU 1 HN LEU 1 6.442 -2.471 -3.930 5 HA LEU 1 HA LEU 1 8.391 -4.445 -4.451 6 HB2 LEU 1 HB2 LEU 1 7.952 -2.627 -2.077 7 HB3 LEU 1 HB1 LEU 1 9.361 -3.671 -2.242 8 HG LEU 1 HG LEU 1 8.540 -1.643 -4.343 9 HD11 LEU 1 HD11 LEU 1 10.326 -0.206 -3.400 10 HD12 LEU 1 HD12 LEU 1 10.549 -1.362 -2.088 11 HD13 LEU 1 HD13 LEU 1 9.028 -0.484 -2.238 12 HD21 LEU 1 HD21 LEU 1 11.135 -1.922 -4.770 13 HD22 LEU 1 HD22 LEU 1 10.021 -3.130 -5.394 14 HD23 LEU 1 HD23 LEU 1 10.922 -3.449 -3.914 15 H GLY 2 HN GLY 2 5.864 -4.208 -1.980 16 HA2 GLY 2 HA2 GLY 2 5.407 -6.944 -1.756 17 HA3 GLY 2 HA1 GLY 2 6.601 -6.531 -0.530 18 H LEU 3 HN LEU 3 3.368 -5.742 -1.727 19 HA LEU 3 HA LEU 3 1.570 -4.710 -0.703 20 HB2 LEU 3 HB2 LEU 3 2.578 -6.389 1.606 21 HB3 LEU 3 HB1 LEU 3 0.940 -5.764 1.411 22 HG LEU 3 HG LEU 3 2.313 -7.680 -0.499 23 HD11 LEU 3 HD11 LEU 3 0.008 -8.246 1.378 24 HD12 LEU 3 HD12 LEU 3 1.688 -8.562 1.809 25 HD13 LEU 3 HD13 LEU 3 0.955 -9.405 0.446 26 HD21 LEU 3 HD21 LEU 3 -0.375 -6.310 -0.464 27 HD22 LEU 3 HD22 LEU 3 -0.220 -7.905 -1.205 28 HD23 LEU 3 HD23 LEU 3 0.731 -6.555 -1.817 29 H LEU 4 HN LEU 4 4.155 -3.318 -0.513 30 HA LEU 4 HA LEU 4 4.510 -2.174 2.041 31 HB2 LEU 4 HB2 LEU 4 6.241 -2.036 0.328 32 HB3 LEU 4 HB1 LEU 4 5.180 -1.080 -0.704 33 HG LEU 4 HG LEU 4 5.168 0.742 0.933 34 HD11 LEU 4 HD11 LEU 4 6.686 -1.264 2.600 35 HD12 LEU 4 HD12 LEU 4 5.312 -0.256 3.058 36 HD13 LEU 4 HD13 LEU 4 6.907 0.465 2.871 37 HD21 LEU 4 HD21 LEU 4 7.386 1.505 0.580 38 HD22 LEU 4 HD22 LEU 4 7.087 0.397 -0.758 39 HD23 LEU 4 HD23 LEU 4 8.045 -0.130 0.626 40 H SER 5 HN SER 5 2.521 -1.233 -0.730 41 HA SER 5 HA SER 5 1.711 1.294 0.169 42 HB2 SER 5 HB2 SER 5 1.282 0.486 -2.106 43 HB3 SER 5 HB1 SER 5 0.153 -0.712 -1.476 44 HG SER 5 HG SER 5 -0.046 2.109 -1.472 45 H TYR 6 HN TYR 6 0.261 -1.908 0.736 46 HA TYR 6 HA TYR 6 -1.975 -0.994 2.205 47 HB2 TYR 6 HB2 TYR 6 -0.507 -3.634 2.193 48 HB3 TYR 6 HB1 TYR 6 -1.983 -3.357 3.118 49 HD1 TYR 6 HD1 TYR 6 -4.105 -2.759 1.945 50 HD2 TYR 6 HD2 TYR 6 -0.558 -3.889 -0.194 51 HE1 TYR 6 HE1 TYR 6 -5.462 -3.154 -0.092 52 HE2 TYR 6 HE2 TYR 6 -1.913 -4.282 -2.234 53 HH TYR 6 HH TYR 6 -5.434 -4.128 -2.156 54 H GLY 7 HN GLY 7 1.270 -2.006 3.223 55 HA2 GLY 7 HA2 GLY 7 0.664 -1.415 6.030 56 HA3 GLY 7 HA1 GLY 7 2.153 -2.117 5.403 57 H ALA 8 HN ALA 8 0.915 0.659 3.778 58 HA ALA 8 HA ALA 8 3.268 2.181 4.302 59 HB1 ALA 8 HB1 ALA 8 0.644 3.217 3.219 60 HB2 ALA 8 HB2 ALA 8 1.826 2.353 2.238 61 HB3 ALA 8 HB3 ALA 8 2.252 3.896 2.972 62 H GLY 9 HN GLY 9 0.534 1.594 6.149 63 HA2 GLY 9 HA2 GLY 9 1.233 3.733 8.014 64 HA3 GLY 9 HA1 GLY 9 -0.410 3.758 7.375 65 H VAL 10 HN VAL 10 1.848 1.291 8.615 66 HA VAL 10 HA VAL 10 -0.162 -0.403 9.649 67 HB VAL 10 HB VAL 10 2.767 -0.118 10.336 68 HG11 VAL 10 HG11 VAL 10 1.745 -1.181 12.230 69 HG12 VAL 10 HG12 VAL 10 2.439 -2.474 11.253 70 HG13 VAL 10 HG13 VAL 10 0.705 -2.161 11.195 71 HG21 VAL 10 HG21 VAL 10 3.068 -1.991 8.859 72 HG22 VAL 10 HG22 VAL 10 2.064 -0.823 7.997 73 HG23 VAL 10 HG23 VAL 10 1.328 -2.247 8.735 74 H ALA 11 HN ALA 11 1.364 2.462 10.866 75 HA ALA 11 HA ALA 11 0.834 2.125 13.631 76 HB1 ALA 11 HB1 ALA 11 2.388 3.832 12.693 77 HB2 ALA 11 HB2 ALA 11 1.202 4.522 13.801 78 HB3 ALA 11 HB3 ALA 11 0.993 4.706 12.059 79 H SER 12 HN SER 12 -1.294 2.089 11.192 80 HA SER 12 HA SER 12 -3.363 3.783 12.359 81 HB2 SER 12 HB2 SER 12 -3.350 2.021 9.900 82 HB3 SER 12 HB1 SER 12 -4.686 3.061 10.390 83 HG SER 12 HG SER 12 -3.382 4.836 10.100 84 H LEU 13 HN LEU 13 -2.344 1.321 13.748 85 HA LEU 13 HA LEU 13 -4.982 0.168 14.283 86 HB2 LEU 13 HB2 LEU 13 -3.181 -1.200 12.633 87 HB3 LEU 13 HB1 LEU 13 -2.958 -1.967 14.199 88 HG LEU 13 HG LEU 13 -5.558 -2.085 14.282 89 HD11 LEU 13 HD11 LEU 13 -5.063 -1.625 11.323 90 HD12 LEU 13 HD12 LEU 13 -6.066 -0.646 12.392 91 HD13 LEU 13 HD13 LEU 13 -6.557 -2.285 11.983 92 HD21 LEU 13 HD21 LEU 13 -4.007 -3.754 12.275 93 HD22 LEU 13 HD22 LEU 13 -5.527 -4.215 13.040 94 HD23 LEU 13 HD23 LEU 13 -4.067 -4.041 14.015 95 HA PRO 14 HA PRO 14 -1.927 -1.008 17.883 96 HB2 PRO 14 HB2 PRO 14 0.213 1.035 17.447 97 HB3 PRO 14 HB1 PRO 14 0.358 -0.659 17.957 98 HG2 PRO 14 HG2 PRO 14 1.042 0.069 15.503 99 HG3 PRO 14 HG1 PRO 14 0.184 -1.460 15.785 100 HD2 PRO 14 HD2 PRO 14 -0.917 1.158 14.794 101 HD3 PRO 14 HD1 PRO 14 -1.245 -0.486 14.203 102 H LEU 15 HN LEU 15 -1.608 2.439 16.960 103 HA LEU 15 HA LEU 15 -2.071 3.458 19.559 104 HB2 LEU 15 HB2 LEU 15 -2.400 4.717 16.831 105 HB3 LEU 15 HB1 LEU 15 -2.544 5.608 18.343 106 HG LEU 15 HG LEU 15 -0.098 3.997 17.562 107 HD11 LEU 15 HD11 LEU 15 0.936 6.197 17.057 108 HD12 LEU 15 HD12 LEU 15 -0.620 6.978 17.337 109 HD13 LEU 15 HD13 LEU 15 -0.428 5.854 15.992 110 HD21 LEU 15 HD21 LEU 15 0.067 4.249 19.876 111 HD22 LEU 15 HD22 LEU 15 -0.831 5.766 19.890 112 HD23 LEU 15 HD23 LEU 15 0.845 5.738 19.347 113 H LEU 16 HN LEU 16 -4.220 2.878 16.810 114 HA LEU 16 HA LEU 16 -6.549 4.008 17.943 115 HB2 LEU 16 HB2 LEU 16 -6.434 1.722 15.968 116 HB3 LEU 16 HB1 LEU 16 -7.749 2.872 16.197 117 HG LEU 16 HG LEU 16 -4.960 3.509 15.186 118 HD11 LEU 16 HD11 LEU 16 -7.582 3.908 13.741 119 HD12 LEU 16 HD12 LEU 16 -6.718 2.373 13.659 120 HD13 LEU 16 HD13 LEU 16 -5.953 3.848 13.068 121 HD21 LEU 16 HD21 LEU 16 -7.291 5.252 15.993 122 HD22 LEU 16 HD22 LEU 16 -6.151 5.799 14.763 123 HD23 LEU 16 HD23 LEU 16 -5.581 5.438 16.390 124 H ASN 17 HN ASN 17 -5.178 0.752 18.067 125 HA ASN 17 HA ASN 17 -7.361 -0.537 19.289 126 HB2 ASN 17 HB2 ASN 17 -5.484 -1.769 18.309 127 HB3 ASN 17 HB1 ASN 17 -4.401 -1.119 19.539 128 HD21 ASN 17 HD21 ASN 17 -4.474 -3.828 19.523 129 HD22 ASN 17 HD22 ASN 17 -5.426 -4.438 20.790 130 H VAL 18 HN VAL 18 -4.570 1.169 20.686 131 HA VAL 18 HA VAL 18 -5.165 0.594 23.395 132 HB VAL 18 HB VAL 18 -3.671 2.910 22.139 133 HG11 VAL 18 HG11 VAL 18 -4.006 2.043 25.018 134 HG12 VAL 18 HG12 VAL 18 -4.328 3.631 24.323 135 HG13 VAL 18 HG13 VAL 18 -2.667 3.060 24.482 136 HG21 VAL 18 HG21 VAL 18 -1.688 1.613 22.844 137 HG22 VAL 18 HG22 VAL 18 -2.692 0.682 21.734 138 HG23 VAL 18 HG23 VAL 18 -2.742 0.341 23.463 139 H ILE 19 HN ILE 19 -5.936 3.381 21.328 140 HA ILE 19 HA ILE 19 -7.399 4.833 23.276 141 HB ILE 19 HB ILE 19 -7.517 4.854 20.250 142 HG12 ILE 19 HG12 ILE 19 -5.343 5.527 21.167 143 HG13 ILE 19 HG11 ILE 19 -6.172 6.918 20.483 144 HG21 ILE 19 HG21 ILE 19 -9.590 5.775 20.991 145 HG22 ILE 19 HG22 ILE 19 -8.549 7.149 20.622 146 HG23 ILE 19 HG23 ILE 19 -8.808 6.664 22.297 147 HD11 ILE 19 HD11 ILE 19 -5.575 6.279 23.346 148 HD12 ILE 19 HD12 ILE 19 -7.039 7.196 22.999 149 HD13 ILE 19 HD13 ILE 19 -5.471 7.818 22.498 150 H ALA 20 HN ALA 20 -8.359 2.522 20.773 151 HA ALA 20 HA ALA 20 -11.160 2.696 21.298 152 HB1 ALA 20 HB1 ALA 20 -11.389 0.878 19.790 153 HB2 ALA 20 HB2 ALA 20 -9.738 0.330 20.081 154 HB3 ALA 20 HB3 ALA 20 -10.026 1.819 19.182 155 HN1 NH2 21 H2 NH2 21 -9.720 -0.516 23.430 156 HN2 NH2 21 H1 NH2 21 -8.852 0.025 22.077 Start of MODEL 24 1 H1 ACE 0 HA2 ACE 0 -0.001 -3.461 -2.706 2 H2 ACE 0 HA3 ACE 0 -0.714 -4.536 -3.908 3 H3 ACE 0 HA1 ACE 0 0.041 -3.024 -4.413 4 H LEU 1 HN LEU 1 1.976 -3.291 -5.307 5 HA LEU 1 HA LEU 1 3.529 -5.717 -4.802 6 HB2 LEU 1 HB2 LEU 1 3.914 -3.423 -6.737 7 HB3 LEU 1 HB1 LEU 1 4.968 -4.832 -6.641 8 HG LEU 1 HG LEU 1 1.979 -5.006 -7.121 9 HD11 LEU 1 HD11 LEU 1 4.301 -4.873 -9.059 10 HD12 LEU 1 HD12 LEU 1 2.869 -3.845 -9.013 11 HD13 LEU 1 HD13 LEU 1 2.727 -5.533 -9.506 12 HD21 LEU 1 HD21 LEU 1 2.861 -7.279 -8.129 13 HD22 LEU 1 HD22 LEU 1 2.661 -7.132 -6.388 14 HD23 LEU 1 HD23 LEU 1 4.264 -6.982 -7.106 15 H GLY 2 HN GLY 2 3.219 -2.815 -3.335 16 HA2 GLY 2 HA2 GLY 2 5.686 -3.052 -1.895 17 HA3 GLY 2 HA1 GLY 2 5.699 -1.677 -2.996 18 H LEU 3 HN LEU 3 2.826 -1.222 -2.726 19 HA LEU 3 HA LEU 3 2.834 0.662 -0.648 20 HB2 LEU 3 HB2 LEU 3 0.512 -0.651 -2.075 21 HB3 LEU 3 HB1 LEU 3 0.398 0.800 -1.079 22 HG LEU 3 HG LEU 3 2.146 0.529 -3.548 23 HD11 LEU 3 HD11 LEU 3 -0.540 1.868 -3.108 24 HD12 LEU 3 HD12 LEU 3 -0.193 0.523 -4.194 25 HD13 LEU 3 HD13 LEU 3 0.466 2.124 -4.533 26 HD21 LEU 3 HD21 LEU 3 3.182 2.213 -2.306 27 HD22 LEU 3 HD22 LEU 3 1.682 2.710 -1.522 28 HD23 LEU 3 HD23 LEU 3 1.996 3.164 -3.195 29 H LEU 4 HN LEU 4 1.683 -2.671 -0.764 30 HA LEU 4 HA LEU 4 0.273 -2.691 1.667 31 HB2 LEU 4 HB2 LEU 4 0.090 -4.469 0.003 32 HB3 LEU 4 HB1 LEU 4 1.757 -4.949 0.312 33 HG LEU 4 HG LEU 4 0.067 -4.782 2.763 34 HD11 LEU 4 HD11 LEU 4 -1.049 -6.961 2.317 35 HD12 LEU 4 HD12 LEU 4 -0.505 -6.867 0.640 36 HD13 LEU 4 HD13 LEU 4 -1.627 -5.661 1.274 37 HD21 LEU 4 HD21 LEU 4 1.636 -7.169 1.787 38 HD22 LEU 4 HD22 LEU 4 1.348 -6.631 3.441 39 HD23 LEU 4 HD23 LEU 4 2.469 -5.744 2.411 40 H SER 5 HN SER 5 3.720 -3.288 0.989 41 HA SER 5 HA SER 5 4.457 -4.193 3.541 42 HB2 SER 5 HB2 SER 5 6.736 -3.448 2.942 43 HB3 SER 5 HB1 SER 5 5.970 -4.341 1.631 44 HG SER 5 HG SER 5 5.910 -2.573 0.466 45 H TYR 6 HN TYR 6 4.357 -0.872 2.242 46 HA TYR 6 HA TYR 6 5.316 0.370 4.617 47 HB2 TYR 6 HB2 TYR 6 3.639 1.485 2.357 48 HB3 TYR 6 HB1 TYR 6 4.386 2.453 3.626 49 HD1 TYR 6 HD1 TYR 6 6.951 2.215 3.955 50 HD2 TYR 6 HD2 TYR 6 4.875 0.918 0.434 51 HE1 TYR 6 HE1 TYR 6 9.080 2.257 2.682 52 HE2 TYR 6 HE2 TYR 6 6.998 0.956 -0.840 53 HH TYR 6 HH TYR 6 9.946 0.971 0.504 54 H GLY 7 HN GLY 7 2.086 -0.377 3.393 55 HA2 GLY 7 HA2 GLY 7 0.786 0.823 5.713 56 HA3 GLY 7 HA1 GLY 7 -0.010 0.057 4.342 57 H ALA 8 HN ALA 8 2.611 -1.609 5.867 58 HA ALA 8 HA ALA 8 1.175 -3.950 6.371 59 HB1 ALA 8 HB1 ALA 8 3.602 -3.958 6.271 60 HB2 ALA 8 HB2 ALA 8 3.092 -4.558 7.849 61 HB3 ALA 8 HB3 ALA 8 3.693 -2.907 7.686 62 H GLY 9 HN GLY 9 1.854 -1.180 8.466 63 HA2 GLY 9 HA2 GLY 9 -0.360 -1.076 9.979 64 HA3 GLY 9 HA1 GLY 9 0.517 -2.394 10.750 65 H VAL 10 HN VAL 10 1.497 0.746 9.357 66 HA VAL 10 HA VAL 10 3.337 1.207 11.552 67 HB VAL 10 HB VAL 10 2.559 2.872 9.154 68 HG11 VAL 10 HG11 VAL 10 4.608 3.312 11.338 69 HG12 VAL 10 HG12 VAL 10 3.312 4.402 10.840 70 HG13 VAL 10 HG13 VAL 10 4.689 4.124 9.775 71 HG21 VAL 10 HG21 VAL 10 5.107 1.350 9.770 72 HG22 VAL 10 HG22 VAL 10 4.703 2.168 8.261 73 HG23 VAL 10 HG23 VAL 10 3.811 0.727 8.745 74 H ALA 11 HN ALA 11 0.964 3.426 10.117 75 HA ALA 11 HA ALA 11 0.361 4.489 12.803 76 HB1 ALA 11 HB1 ALA 11 -0.192 5.559 10.028 77 HB2 ALA 11 HB2 ALA 11 0.999 6.158 11.183 78 HB3 ALA 11 HB3 ALA 11 -0.722 6.339 11.520 79 H SER 12 HN SER 12 -0.874 2.376 10.488 80 HA SER 12 HA SER 12 -3.679 2.884 10.934 81 HB2 SER 12 HB2 SER 12 -2.889 1.965 8.805 82 HB3 SER 12 HB1 SER 12 -2.277 0.538 9.635 83 HG SER 12 HG SER 12 -4.928 1.379 9.198 84 H LEU 13 HN LEU 13 -1.321 1.472 12.838 85 HA LEU 13 HA LEU 13 -3.283 -0.342 14.132 86 HB2 LEU 13 HB2 LEU 13 -0.559 -0.776 13.301 87 HB3 LEU 13 HB1 LEU 13 -0.617 -0.902 15.056 88 HG LEU 13 HG LEU 13 -2.635 -2.465 14.726 89 HD11 LEU 13 HD11 LEU 13 -3.127 -1.903 12.392 90 HD12 LEU 13 HD12 LEU 13 -2.685 -3.607 12.514 91 HD13 LEU 13 HD13 LEU 13 -1.516 -2.436 11.904 92 HD21 LEU 13 HD21 LEU 13 -1.083 -4.384 14.050 93 HD22 LEU 13 HD22 LEU 13 -0.553 -3.406 15.419 94 HD23 LEU 13 HD23 LEU 13 0.170 -3.161 13.831 95 HA PRO 14 HA PRO 14 -0.924 1.880 17.786 96 HB2 PRO 14 HB2 PRO 14 -0.248 4.440 16.386 97 HB3 PRO 14 HB1 PRO 14 0.670 3.553 17.621 98 HG2 PRO 14 HG2 PRO 14 1.407 3.522 15.062 99 HG3 PRO 14 HG1 PRO 14 1.568 2.081 16.084 100 HD2 PRO 14 HD2 PRO 14 -0.468 2.662 13.960 101 HD3 PRO 14 HD1 PRO 14 0.284 1.122 14.405 102 H LEU 15 HN LEU 15 -2.482 4.024 15.377 103 HA LEU 15 HA LEU 15 -3.932 5.553 17.262 104 HB2 LEU 15 HB2 LEU 15 -4.397 5.006 14.329 105 HB3 LEU 15 HB1 LEU 15 -5.383 6.129 15.263 106 HG LEU 15 HG LEU 15 -2.363 6.314 15.012 107 HD11 LEU 15 HD11 LEU 15 -3.193 6.728 12.829 108 HD12 LEU 15 HD12 LEU 15 -2.995 8.330 13.541 109 HD13 LEU 15 HD13 LEU 15 -4.598 7.600 13.438 110 HD21 LEU 15 HD21 LEU 15 -2.870 7.551 16.926 111 HD22 LEU 15 HD22 LEU 15 -4.489 7.970 16.363 112 HD23 LEU 15 HD23 LEU 15 -3.079 8.789 15.693 113 H LEU 16 HN LEU 16 -4.823 2.685 15.363 114 HA LEU 16 HA LEU 16 -7.487 2.524 16.324 115 HB2 LEU 16 HB2 LEU 16 -5.603 0.586 15.004 116 HB3 LEU 16 HB1 LEU 16 -7.121 -0.006 15.678 117 HG LEU 16 HG LEU 16 -8.352 1.676 14.322 118 HD11 LEU 16 HD11 LEU 16 -5.543 2.325 13.410 119 HD12 LEU 16 HD12 LEU 16 -6.783 3.426 14.012 120 HD13 LEU 16 HD13 LEU 16 -6.948 2.704 12.412 121 HD21 LEU 16 HD21 LEU 16 -6.472 -0.031 12.663 122 HD22 LEU 16 HD22 LEU 16 -8.072 0.532 12.188 123 HD23 LEU 16 HD23 LEU 16 -7.902 -0.644 13.491 124 H ASN 17 HN ASN 17 -4.420 1.266 17.482 125 HA ASN 17 HA ASN 17 -5.367 -0.470 19.476 126 HB2 ASN 17 HB2 ASN 17 -2.834 1.159 19.246 127 HB3 ASN 17 HB1 ASN 17 -3.111 -0.002 20.543 128 HD21 ASN 17 HD21 ASN 17 -4.440 -2.057 19.075 129 HD22 ASN 17 HD22 ASN 17 -3.346 -2.706 17.950 130 H VAL 18 HN VAL 18 -4.684 3.013 19.539 131 HA VAL 18 HA VAL 18 -5.049 3.394 22.314 132 HB VAL 18 HB VAL 18 -5.359 5.275 19.963 133 HG11 VAL 18 HG11 VAL 18 -5.540 5.769 22.942 134 HG12 VAL 18 HG12 VAL 18 -6.676 6.263 21.686 135 HG13 VAL 18 HG13 VAL 18 -5.100 7.045 21.808 136 HG21 VAL 18 HG21 VAL 18 -3.155 5.988 20.508 137 HG22 VAL 18 HG22 VAL 18 -3.091 4.229 20.609 138 HG23 VAL 18 HG23 VAL 18 -3.201 5.193 22.082 139 H ILE 19 HN ILE 19 -7.298 3.745 19.574 140 HA ILE 19 HA ILE 19 -9.550 4.489 21.131 141 HB ILE 19 HB ILE 19 -9.511 3.069 18.460 142 HG12 ILE 19 HG12 ILE 19 -8.147 5.090 18.346 143 HG13 ILE 19 HG11 ILE 19 -9.669 5.368 17.510 144 HG21 ILE 19 HG21 ILE 19 -11.701 4.199 18.165 145 HG22 ILE 19 HG22 ILE 19 -11.592 4.805 19.816 146 HG23 ILE 19 HG23 ILE 19 -11.715 3.071 19.521 147 HD11 ILE 19 HD11 ILE 19 -8.720 6.476 20.136 148 HD12 ILE 19 HD12 ILE 19 -10.451 6.300 19.860 149 HD13 ILE 19 HD13 ILE 19 -9.487 7.308 18.785 150 H ALA 20 HN ALA 20 -8.384 1.373 19.902 151 HA ALA 20 HA ALA 20 -10.577 -0.101 21.058 152 HB1 ALA 20 HB1 ALA 20 -9.607 -1.087 19.131 153 HB2 ALA 20 HB2 ALA 20 -9.069 -2.089 20.480 154 HB3 ALA 20 HB3 ALA 20 -7.971 -0.906 19.766 155 HN1 NH2 21 H2 NH2 21 -7.458 0.084 23.658 156 HN2 NH2 21 H1 NH2 21 -7.394 0.894 22.169 Start of MODEL 25 1 H1 ACE 0 HA2 ACE 0 2.694 -6.377 -2.114 2 H2 ACE 0 HA3 ACE 0 4.283 -6.796 -1.472 3 H3 ACE 0 HA1 ACE 0 3.417 -7.938 -2.501 4 H LEU 1 HN LEU 1 2.953 -4.780 -3.528 5 HA LEU 1 HA LEU 1 4.700 -5.181 -5.840 6 HB2 LEU 1 HB2 LEU 1 2.612 -3.072 -5.233 7 HB3 LEU 1 HB1 LEU 1 3.502 -3.212 -6.748 8 HG LEU 1 HG LEU 1 2.569 -5.742 -6.626 9 HD11 LEU 1 HD11 LEU 1 0.514 -4.097 -5.113 10 HD12 LEU 1 HD12 LEU 1 1.418 -5.470 -4.481 11 HD13 LEU 1 HD13 LEU 1 0.234 -5.712 -5.762 12 HD21 LEU 1 HD21 LEU 1 2.135 -4.275 -8.504 13 HD22 LEU 1 HD22 LEU 1 1.032 -3.293 -7.542 14 HD23 LEU 1 HD23 LEU 1 0.589 -4.944 -7.978 15 H GLY 2 HN GLY 2 5.003 -3.822 -2.833 16 HA2 GLY 2 HA2 GLY 2 7.489 -2.738 -3.123 17 HA3 GLY 2 HA1 GLY 2 6.413 -1.404 -3.529 18 H LEU 3 HN LEU 3 5.694 -3.927 -1.180 19 HA LEU 3 HA LEU 3 5.200 -3.830 1.058 20 HB2 LEU 3 HB2 LEU 3 7.416 -1.770 0.977 21 HB3 LEU 3 HB1 LEU 3 6.760 -2.482 2.448 22 HG LEU 3 HG LEU 3 7.946 -4.109 0.181 23 HD11 LEU 3 HD11 LEU 3 9.658 -2.645 1.200 24 HD12 LEU 3 HD12 LEU 3 9.940 -4.337 1.614 25 HD13 LEU 3 HD13 LEU 3 9.221 -3.248 2.799 26 HD21 LEU 3 HD21 LEU 3 6.861 -4.739 2.925 27 HD22 LEU 3 HD22 LEU 3 8.155 -5.739 2.264 28 HD23 LEU 3 HD23 LEU 3 6.626 -5.603 1.406 29 H LEU 4 HN LEU 4 4.414 -1.413 -0.998 30 HA LEU 4 HA LEU 4 3.604 0.694 0.721 31 HB2 LEU 4 HB2 LEU 4 2.594 -0.219 -1.977 32 HB3 LEU 4 HB1 LEU 4 2.002 1.231 -1.171 33 HG LEU 4 HG LEU 4 4.930 0.715 -1.776 34 HD11 LEU 4 HD11 LEU 4 4.616 2.317 -3.653 35 HD12 LEU 4 HD12 LEU 4 2.879 2.310 -3.343 36 HD13 LEU 4 HD13 LEU 4 3.685 0.834 -3.876 37 HD21 LEU 4 HD21 LEU 4 4.809 3.359 -1.590 38 HD22 LEU 4 HD22 LEU 4 4.915 2.381 -0.133 39 HD23 LEU 4 HD23 LEU 4 3.356 3.028 -0.647 40 H SER 5 HN SER 5 1.931 -2.198 -0.483 41 HA SER 5 HA SER 5 -0.494 -1.589 0.960 42 HB2 SER 5 HB2 SER 5 -1.204 -3.839 0.222 43 HB3 SER 5 HB1 SER 5 -0.598 -2.872 -1.120 44 HG SER 5 HG SER 5 1.294 -4.008 -1.070 45 H TYR 6 HN TYR 6 2.470 -3.258 1.584 46 HA TYR 6 HA TYR 6 1.652 -5.008 3.633 47 HB2 TYR 6 HB2 TYR 6 3.853 -5.190 2.605 48 HB3 TYR 6 HB1 TYR 6 4.294 -3.593 3.208 49 HD1 TYR 6 HD2 TYR 6 3.149 -6.964 4.367 50 HD2 TYR 6 HD1 TYR 6 5.287 -3.363 5.326 51 HE1 TYR 6 HE2 TYR 6 3.898 -7.978 6.501 52 HE2 TYR 6 HE1 TYR 6 6.034 -4.376 7.466 53 HH TYR 6 HH TYR 6 5.142 -6.239 9.028 54 H GLY 7 HN GLY 7 2.859 -1.658 3.772 55 HA2 GLY 7 HA2 GLY 7 2.327 -1.520 6.649 56 HA3 GLY 7 HA1 GLY 7 3.092 -0.277 5.663 57 H ALA 8 HN ALA 8 1.542 0.589 3.877 58 HA ALA 8 HA ALA 8 -0.223 2.041 3.562 59 HB1 ALA 8 HB1 ALA 8 -2.460 0.883 3.816 60 HB2 ALA 8 HB2 ALA 8 -1.582 -0.509 4.451 61 HB3 ALA 8 HB3 ALA 8 -1.290 0.041 2.800 62 H GLY 9 HN GLY 9 1.022 1.979 6.296 63 HA2 GLY 9 HA2 GLY 9 0.358 3.787 7.854 64 HA3 GLY 9 HA1 GLY 9 -1.265 3.102 7.828 65 H VAL 10 HN VAL 10 2.064 2.528 8.818 66 HA VAL 10 HA VAL 10 1.646 0.086 10.184 67 HB VAL 10 HB VAL 10 3.705 2.262 10.570 68 HG11 VAL 10 HG11 VAL 10 3.730 1.042 12.607 69 HG12 VAL 10 HG12 VAL 10 4.988 0.281 11.635 70 HG13 VAL 10 HG13 VAL 10 3.407 -0.487 11.790 71 HG21 VAL 10 HG21 VAL 10 5.102 0.931 9.167 72 HG22 VAL 10 HG22 VAL 10 3.538 0.973 8.353 73 HG23 VAL 10 HG23 VAL 10 4.013 -0.453 9.274 74 H ALA 11 HN ALA 11 1.563 3.466 11.266 75 HA ALA 11 HA ALA 11 1.108 2.894 14.005 76 HB1 ALA 11 HB1 ALA 11 0.111 5.391 12.651 77 HB2 ALA 11 HB2 ALA 11 1.838 5.114 12.872 78 HB3 ALA 11 HB3 ALA 11 0.773 5.198 14.275 79 H SER 12 HN SER 12 -0.835 2.401 11.332 80 HA SER 12 HA SER 12 -3.402 3.094 12.320 81 HB2 SER 12 HB2 SER 12 -2.811 0.847 10.396 82 HB3 SER 12 HB1 SER 12 -4.270 1.828 10.505 83 HG SER 12 HG SER 12 -3.311 3.080 9.124 84 H LEU 13 HN LEU 13 -1.228 0.764 13.373 85 HA LEU 13 HA LEU 13 -3.287 -1.132 14.263 86 HB2 LEU 13 HB2 LEU 13 -0.355 -1.194 13.852 87 HB3 LEU 13 HB1 LEU 13 -0.899 -2.066 15.286 88 HG LEU 13 HG LEU 13 -2.525 -3.313 13.866 89 HD11 LEU 13 HD11 LEU 13 -1.172 -1.712 11.679 90 HD12 LEU 13 HD12 LEU 13 -2.897 -1.787 12.047 91 HD13 LEU 13 HD13 LEU 13 -2.077 -3.191 11.363 92 HD21 LEU 13 HD21 LEU 13 0.304 -3.469 12.787 93 HD22 LEU 13 HD22 LEU 13 -0.881 -4.774 12.866 94 HD23 LEU 13 HD23 LEU 13 -0.183 -4.127 14.350 95 HA PRO 14 HA PRO 14 -1.476 0.038 18.570 96 HB2 PRO 14 HB2 PRO 14 0.194 2.253 18.670 97 HB3 PRO 14 HB1 PRO 14 0.764 0.578 18.541 98 HG2 PRO 14 HG2 PRO 14 0.367 2.607 16.380 99 HG3 PRO 14 HG1 PRO 14 1.723 1.493 16.639 100 HD2 PRO 14 HD2 PRO 14 -0.154 0.943 14.807 101 HD3 PRO 14 HD1 PRO 14 0.536 -0.350 15.817 102 H LEU 15 HN LEU 15 -2.070 2.734 16.333 103 HA LEU 15 HA LEU 15 -3.090 4.550 18.234 104 HB2 LEU 15 HB2 LEU 15 -3.665 4.252 15.280 105 HB3 LEU 15 HB1 LEU 15 -4.252 5.592 16.260 106 HG LEU 15 HG LEU 15 -1.322 4.852 15.985 107 HD11 LEU 15 HD11 LEU 15 -1.150 6.706 14.407 108 HD12 LEU 15 HD12 LEU 15 -2.867 7.063 14.598 109 HD13 LEU 15 HD13 LEU 15 -2.359 5.559 13.831 110 HD21 LEU 15 HD21 LEU 15 -1.227 7.392 16.735 111 HD22 LEU 15 HD22 LEU 15 -1.460 6.135 17.941 112 HD23 LEU 15 HD23 LEU 15 -2.842 7.066 17.364 113 H LEU 16 HN LEU 16 -4.656 2.064 16.285 114 HA LEU 16 HA LEU 16 -7.307 2.665 17.099 115 HB2 LEU 16 HB2 LEU 16 -5.961 0.316 15.796 116 HB3 LEU 16 HB1 LEU 16 -7.619 0.147 16.372 117 HG LEU 16 HG LEU 16 -8.345 2.015 15.002 118 HD11 LEU 16 HD11 LEU 16 -5.384 2.344 14.526 119 HD12 LEU 16 HD12 LEU 16 -6.556 3.545 15.060 120 HD13 LEU 16 HD13 LEU 16 -6.563 2.994 13.386 121 HD21 LEU 16 HD21 LEU 16 -6.567 0.068 13.500 122 HD22 LEU 16 HD22 LEU 16 -7.763 1.111 12.730 123 HD23 LEU 16 HD23 LEU 16 -8.279 -0.135 13.868 124 H ASN 17 HN ASN 17 -4.827 0.490 18.372 125 HA ASN 17 HA ASN 17 -6.435 -0.810 20.289 126 HB2 ASN 17 HB2 ASN 17 -4.226 -1.647 19.646 127 HB3 ASN 17 HB1 ASN 17 -3.464 -0.215 20.334 128 HD21 ASN 17 HD21 ASN 17 -2.865 -2.885 21.254 129 HD22 ASN 17 HD22 ASN 17 -3.423 -3.024 22.852 130 H VAL 18 HN VAL 18 -4.526 2.180 20.421 131 HA VAL 18 HA VAL 18 -4.914 2.698 23.178 132 HB VAL 18 HB VAL 18 -4.319 4.517 20.835 133 HG11 VAL 18 HG11 VAL 18 -3.615 6.119 22.743 134 HG12 VAL 18 HG12 VAL 18 -4.645 5.129 23.778 135 HG13 VAL 18 HG13 VAL 18 -5.340 5.981 22.398 136 HG21 VAL 18 HG21 VAL 18 -2.570 2.892 21.486 137 HG22 VAL 18 HG22 VAL 18 -2.646 3.476 23.147 138 HG23 VAL 18 HG23 VAL 18 -2.071 4.540 21.861 139 H ILE 19 HN ILE 19 -6.694 3.694 20.272 140 HA ILE 19 HA ILE 19 -8.629 5.283 21.598 141 HB ILE 19 HB ILE 19 -8.720 3.783 18.968 142 HG12 ILE 19 HG12 ILE 19 -8.447 6.747 19.532 143 HG13 ILE 19 HG11 ILE 19 -7.062 5.679 19.300 144 HG21 ILE 19 HG21 ILE 19 -10.673 5.726 20.225 145 HG22 ILE 19 HG22 ILE 19 -11.003 4.102 19.618 146 HG23 ILE 19 HG23 ILE 19 -10.627 5.404 18.491 147 HD11 ILE 19 HD11 ILE 19 -7.786 5.113 17.064 148 HD12 ILE 19 HD12 ILE 19 -7.796 6.870 17.203 149 HD13 ILE 19 HD13 ILE 19 -9.310 5.971 17.291 150 H ALA 20 HN ALA 20 -8.535 1.881 20.635 151 HA ALA 20 HA ALA 20 -11.145 1.292 21.706 152 HB1 ALA 20 HB1 ALA 20 -8.884 -0.490 20.773 153 HB2 ALA 20 HB2 ALA 20 -10.328 -0.045 19.865 154 HB3 ALA 20 HB3 ALA 20 -10.464 -1.083 21.284 155 HN1 NH2 21 H2 NH2 21 -8.298 0.723 24.537 156 HN2 NH2 21 H1 NH2 21 -7.898 1.370 23.018 Start of MODEL 26 1 H1 ACE 0 HA2 ACE 0 2.833 -4.801 -4.990 2 H2 ACE 0 HA3 ACE 0 4.348 -5.134 -5.833 3 H3 ACE 0 HA1 ACE 0 3.878 -3.470 -5.488 4 H LEU 1 HN LEU 1 6.344 -4.770 -4.719 5 HA LEU 1 HA LEU 1 6.348 -5.592 -2.017 6 HB2 LEU 1 HB2 LEU 1 8.486 -4.320 -3.733 7 HB3 LEU 1 HB1 LEU 1 8.787 -4.954 -2.118 8 HG LEU 1 HG LEU 1 7.591 -6.596 -4.367 9 HD11 LEU 1 HD11 LEU 1 10.466 -6.369 -3.427 10 HD12 LEU 1 HD12 LEU 1 9.837 -5.911 -5.009 11 HD13 LEU 1 HD13 LEU 1 9.873 -7.609 -4.534 12 HD21 LEU 1 HD21 LEU 1 8.648 -8.431 -2.757 13 HD22 LEU 1 HD22 LEU 1 7.062 -7.755 -2.409 14 HD23 LEU 1 HD23 LEU 1 8.480 -7.164 -1.543 15 H GLY 2 HN GLY 2 6.781 -2.433 -3.547 16 HA2 GLY 2 HA2 GLY 2 7.253 -1.004 -1.116 17 HA3 GLY 2 HA1 GLY 2 6.872 -0.298 -2.685 18 H LEU 3 HN LEU 3 4.450 -1.795 -3.063 19 HA LEU 3 HA LEU 3 2.630 -0.024 -1.868 20 HB2 LEU 3 HB2 LEU 3 2.154 -2.688 -3.204 21 HB3 LEU 3 HB1 LEU 3 0.886 -1.538 -2.780 22 HG LEU 3 HG LEU 3 3.230 -0.930 -4.609 23 HD11 LEU 3 HD11 LEU 3 0.325 -1.551 -5.223 24 HD12 LEU 3 HD12 LEU 3 1.720 -2.539 -5.650 25 HD13 LEU 3 HD13 LEU 3 1.495 -0.960 -6.403 26 HD21 LEU 3 HD21 LEU 3 2.598 1.175 -3.843 27 HD22 LEU 3 HD22 LEU 3 0.934 0.686 -3.524 28 HD23 LEU 3 HD23 LEU 3 1.461 1.002 -5.176 29 H LEU 4 HN LEU 4 3.714 -3.249 -0.990 30 HA LEU 4 HA LEU 4 1.762 -3.805 0.973 31 HB2 LEU 4 HB2 LEU 4 3.665 -5.288 -0.111 32 HB3 LEU 4 HB1 LEU 4 4.608 -4.736 1.263 33 HG LEU 4 HG LEU 4 3.636 -6.807 1.929 34 HD11 LEU 4 HD11 LEU 4 2.393 -6.228 3.856 35 HD12 LEU 4 HD12 LEU 4 1.713 -4.798 3.092 36 HD13 LEU 4 HD13 LEU 4 3.421 -4.834 3.541 37 HD21 LEU 4 HD21 LEU 4 1.810 -6.623 0.065 38 HD22 LEU 4 HD22 LEU 4 0.834 -5.867 1.321 39 HD23 LEU 4 HD23 LEU 4 1.434 -7.507 1.539 40 H SER 5 HN SER 5 4.900 -2.164 1.134 41 HA SER 5 HA SER 5 4.717 -1.681 3.976 42 HB2 SER 5 HB2 SER 5 6.803 -0.506 3.719 43 HB3 SER 5 HB1 SER 5 6.880 -1.969 2.743 44 HG SER 5 HG SER 5 5.870 0.340 1.549 45 H TYR 6 HN TYR 6 3.032 -0.420 1.496 46 HA TYR 6 HA TYR 6 3.189 2.372 1.754 47 HB2 TYR 6 HB2 TYR 6 1.955 1.058 -0.001 48 HB3 TYR 6 HB1 TYR 6 0.694 0.762 1.185 49 HD1 TYR 6 HD1 TYR 6 -0.430 2.808 2.279 50 HD2 TYR 6 HD2 TYR 6 2.020 3.048 -1.241 51 HE1 TYR 6 HE1 TYR 6 -1.447 4.999 1.715 52 HE2 TYR 6 HE2 TYR 6 1.008 5.230 -1.804 53 HH TYR 6 HH TYR 6 -0.207 7.164 -0.193 54 H GLY 7 HN GLY 7 1.103 0.013 3.412 55 HA2 GLY 7 HA2 GLY 7 1.053 0.891 5.937 56 HA3 GLY 7 HA1 GLY 7 -0.007 2.064 5.161 57 H ALA 8 HN ALA 8 0.478 -1.480 5.043 58 HA ALA 8 HA ALA 8 -2.202 -2.089 4.410 59 HB1 ALA 8 HB1 ALA 8 -1.634 -4.376 4.958 60 HB2 ALA 8 HB2 ALA 8 -0.232 -3.848 5.887 61 HB3 ALA 8 HB3 ALA 8 -0.258 -3.643 4.137 62 H GLY 9 HN GLY 9 -0.503 -1.779 7.495 63 HA2 GLY 9 HA2 GLY 9 -2.376 -0.819 9.125 64 HA3 GLY 9 HA1 GLY 9 -2.896 -2.498 9.018 65 H VAL 10 HN VAL 10 -0.003 -0.529 9.690 66 HA VAL 10 HA VAL 10 1.122 -2.674 11.352 67 HB VAL 10 HB VAL 10 2.207 0.004 10.458 68 HG11 VAL 10 HG11 VAL 10 3.207 -0.432 12.585 69 HG12 VAL 10 HG12 VAL 10 4.378 -0.986 11.388 70 HG13 VAL 10 HG13 VAL 10 3.365 -2.154 12.235 71 HG21 VAL 10 HG21 VAL 10 2.092 -1.665 8.675 72 HG22 VAL 10 HG22 VAL 10 2.856 -2.865 9.717 73 HG23 VAL 10 HG23 VAL 10 3.773 -1.459 9.173 74 H ALA 11 HN ALA 11 1.184 0.835 11.846 75 HA ALA 11 HA ALA 11 0.544 0.434 14.691 76 HB1 ALA 11 HB1 ALA 11 2.533 1.777 14.131 77 HB2 ALA 11 HB2 ALA 11 1.316 2.747 14.962 78 HB3 ALA 11 HB3 ALA 11 1.519 2.894 13.217 79 H SER 12 HN SER 12 -1.063 1.088 11.853 80 HA SER 12 HA SER 12 -2.935 3.046 12.928 81 HB2 SER 12 HB2 SER 12 -3.928 3.021 10.739 82 HB3 SER 12 HB1 SER 12 -2.178 3.069 10.544 83 HG SER 12 HG SER 12 -2.430 1.320 9.421 84 H LEU 13 HN LEU 13 -2.604 -0.295 13.145 85 HA LEU 13 HA LEU 13 -5.533 -0.707 13.351 86 HB2 LEU 13 HB2 LEU 13 -3.603 -2.166 11.948 87 HB3 LEU 13 HB1 LEU 13 -3.902 -3.157 13.370 88 HG LEU 13 HG LEU 13 -6.084 -2.077 11.556 89 HD11 LEU 13 HD11 LEU 13 -4.778 -3.683 10.315 90 HD12 LEU 13 HD12 LEU 13 -6.254 -4.492 10.846 91 HD13 LEU 13 HD13 LEU 13 -4.733 -4.786 11.690 92 HD21 LEU 13 HD21 LEU 13 -7.005 -2.490 13.716 93 HD22 LEU 13 HD22 LEU 13 -6.022 -3.933 13.947 94 HD23 LEU 13 HD23 LEU 13 -7.358 -3.952 12.797 95 HA PRO 14 HA PRO 14 -3.986 -2.485 17.419 96 HB2 PRO 14 HB2 PRO 14 -1.367 -2.676 18.020 97 HB3 PRO 14 HB1 PRO 14 -2.143 -3.800 16.883 98 HG2 PRO 14 HG2 PRO 14 -0.313 -1.527 16.333 99 HG3 PRO 14 HG1 PRO 14 -0.536 -3.038 15.437 100 HD2 PRO 14 HD2 PRO 14 -1.699 -0.483 14.826 101 HD3 PRO 14 HD1 PRO 14 -2.033 -2.026 14.017 102 H LEU 15 HN LEU 15 -1.359 -0.111 16.891 103 HA LEU 15 HA LEU 15 -1.539 1.067 19.442 104 HB2 LEU 15 HB2 LEU 15 -0.399 2.042 16.824 105 HB3 LEU 15 HB1 LEU 15 -0.283 2.980 18.309 106 HG LEU 15 HG LEU 15 0.625 0.094 18.217 107 HD11 LEU 15 HD11 LEU 15 2.129 2.582 17.377 108 HD12 LEU 15 HD12 LEU 15 1.924 1.080 16.477 109 HD13 LEU 15 HD13 LEU 15 2.959 1.117 17.903 110 HD21 LEU 15 HD21 LEU 15 2.190 1.028 20.019 111 HD22 LEU 15 HD22 LEU 15 0.489 0.971 20.458 112 HD23 LEU 15 HD23 LEU 15 1.223 2.498 19.975 113 H LEU 16 HN LEU 16 -3.005 1.977 16.345 114 HA LEU 16 HA LEU 16 -4.151 4.400 17.210 115 HB2 LEU 16 HB2 LEU 16 -3.968 3.823 14.851 116 HB3 LEU 16 HB1 LEU 16 -5.075 2.472 15.065 117 HG LEU 16 HG LEU 16 -6.883 4.026 15.674 118 HD11 LEU 16 HD11 LEU 16 -5.882 5.867 16.735 119 HD12 LEU 16 HD12 LEU 16 -6.317 6.542 15.169 120 HD13 LEU 16 HD13 LEU 16 -4.654 6.047 15.483 121 HD21 LEU 16 HD21 LEU 16 -6.698 3.509 13.331 122 HD22 LEU 16 HD22 LEU 16 -5.380 4.663 13.122 123 HD23 LEU 16 HD23 LEU 16 -7.014 5.240 13.451 124 H ASN 17 HN ASN 17 -5.318 1.068 17.296 125 HA ASN 17 HA ASN 17 -7.952 1.592 18.135 126 HB2 ASN 17 HB2 ASN 17 -6.104 -0.771 18.409 127 HB3 ASN 17 HB1 ASN 17 -7.705 -0.793 19.147 128 HD21 ASN 17 HD21 ASN 17 -6.920 0.815 16.053 129 HD22 ASN 17 HD22 ASN 17 -7.886 -0.205 15.101 130 H VAL 18 HN VAL 18 -4.950 1.149 19.976 131 HA VAL 18 HA VAL 18 -6.112 1.115 22.553 132 HB VAL 18 HB VAL 18 -3.364 1.999 21.636 133 HG11 VAL 18 HG11 VAL 18 -2.782 1.548 24.071 134 HG12 VAL 18 HG12 VAL 18 -4.514 1.535 24.400 135 HG13 VAL 18 HG13 VAL 18 -3.742 2.999 23.791 136 HG21 VAL 18 HG21 VAL 18 -4.019 -0.382 21.216 137 HG22 VAL 18 HG22 VAL 18 -4.321 -0.567 22.944 138 HG23 VAL 18 HG23 VAL 18 -2.689 -0.228 22.363 139 H ILE 19 HN ILE 19 -4.747 3.788 20.632 140 HA ILE 19 HA ILE 19 -5.317 5.816 22.549 141 HB ILE 19 HB ILE 19 -5.006 6.098 19.554 142 HG12 ILE 19 HG12 ILE 19 -3.073 4.935 20.492 143 HG13 ILE 19 HG11 ILE 19 -2.621 6.585 20.084 144 HG21 ILE 19 HG21 ILE 19 -5.938 8.089 20.608 145 HG22 ILE 19 HG22 ILE 19 -4.260 8.394 20.154 146 HG23 ILE 19 HG23 ILE 19 -4.673 8.063 21.837 147 HD11 ILE 19 HD11 ILE 19 -1.689 6.300 22.218 148 HD12 ILE 19 HD12 ILE 19 -3.060 5.363 22.803 149 HD13 ILE 19 HD13 ILE 19 -3.213 7.105 22.582 150 H ALA 20 HN ALA 20 -7.035 4.600 19.698 151 HA ALA 20 HA ALA 20 -9.206 6.461 19.931 152 HB1 ALA 20 HB1 ALA 20 -8.760 5.494 17.776 153 HB2 ALA 20 HB2 ALA 20 -10.329 4.896 18.311 154 HB3 ALA 20 HB3 ALA 20 -8.907 3.859 18.420 155 HN1 NH2 21 H2 NH2 21 -10.440 2.923 21.627 156 HN2 NH2 21 H1 NH2 21 -9.267 2.875 20.401 Start of MODEL 27 1 H1 ACE 0 HA2 ACE 0 5.860 -7.074 1.262 2 H2 ACE 0 HA3 ACE 0 7.601 -6.817 1.348 3 H3 ACE 0 HA1 ACE 0 6.872 -7.425 -0.138 4 H LEU 1 HN LEU 1 7.503 -5.761 -1.491 5 HA LEU 1 HA LEU 1 7.365 -3.011 -0.879 6 HB2 LEU 1 HB2 LEU 1 7.339 -4.491 -3.513 7 HB3 LEU 1 HB1 LEU 1 7.435 -2.738 -3.395 8 HG LEU 1 HG LEU 1 9.383 -4.597 -2.000 9 HD11 LEU 1 HD11 LEU 1 10.938 -3.985 -3.887 10 HD12 LEU 1 HD12 LEU 1 9.552 -3.293 -4.731 11 HD13 LEU 1 HD13 LEU 1 9.593 -5.019 -4.368 12 HD21 LEU 1 HD21 LEU 1 9.597 -2.483 -0.988 13 HD22 LEU 1 HD22 LEU 1 9.212 -1.618 -2.473 14 HD23 LEU 1 HD23 LEU 1 10.788 -2.379 -2.279 15 H GLY 2 HN GLY 2 5.068 -5.183 -2.497 16 HA2 GLY 2 HA2 GLY 2 3.136 -3.148 -3.054 17 HA3 GLY 2 HA1 GLY 2 2.870 -4.889 -3.122 18 H LEU 3 HN LEU 3 3.583 -5.549 -0.510 19 HA LEU 3 HA LEU 3 1.159 -5.120 0.852 20 HB2 LEU 3 HB2 LEU 3 3.828 -6.095 1.882 21 HB3 LEU 3 HB1 LEU 3 2.312 -6.197 2.776 22 HG LEU 3 HG LEU 3 2.797 -7.447 0.054 23 HD11 LEU 3 HD11 LEU 3 2.716 -9.598 1.392 24 HD12 LEU 3 HD12 LEU 3 2.849 -8.613 2.849 25 HD13 LEU 3 HD13 LEU 3 4.151 -8.612 1.658 26 HD21 LEU 3 HD21 LEU 3 0.441 -7.331 1.930 27 HD22 LEU 3 HD22 LEU 3 0.671 -8.765 0.931 28 HD23 LEU 3 HD23 LEU 3 0.477 -7.191 0.172 29 H LEU 4 HN LEU 4 4.296 -3.557 1.066 30 HA LEU 4 HA LEU 4 3.889 -2.083 3.414 31 HB2 LEU 4 HB2 LEU 4 6.085 -2.295 2.357 32 HB3 LEU 4 HB1 LEU 4 5.521 -1.383 0.959 33 HG LEU 4 HG LEU 4 5.158 0.599 2.378 34 HD11 LEU 4 HD11 LEU 4 6.244 0.400 4.756 35 HD12 LEU 4 HD12 LEU 4 5.951 -1.328 4.559 36 HD13 LEU 4 HD13 LEU 4 4.600 -0.192 4.523 37 HD21 LEU 4 HD21 LEU 4 7.879 -0.713 2.616 38 HD22 LEU 4 HD22 LEU 4 7.576 0.979 3.003 39 HD23 LEU 4 HD23 LEU 4 7.339 0.394 1.356 40 H SER 5 HN SER 5 3.002 -1.406 0.052 41 HA SER 5 HA SER 5 2.247 1.276 0.337 42 HB2 SER 5 HB2 SER 5 2.454 0.145 -1.842 43 HB3 SER 5 HB1 SER 5 1.034 -0.828 -1.470 44 HG SER 5 HG SER 5 1.232 1.959 -1.896 45 H TYR 6 HN TYR 6 0.315 -1.695 0.782 46 HA TYR 6 HA TYR 6 -2.125 -0.370 1.365 47 HB2 TYR 6 HB2 TYR 6 -1.101 -3.117 2.108 48 HB3 TYR 6 HB1 TYR 6 -2.732 -2.559 2.477 49 HD1 TYR 6 HD2 TYR 6 -4.289 -1.926 0.621 50 HD2 TYR 6 HD1 TYR 6 -0.474 -3.742 -0.112 51 HE1 TYR 6 HE2 TYR 6 -5.006 -2.499 -1.686 52 HE2 TYR 6 HE1 TYR 6 -1.182 -4.313 -2.418 53 HH TYR 6 HH TYR 6 -3.538 -4.712 -3.572 54 H GLY 7 HN GLY 7 0.529 -1.532 3.386 55 HA2 GLY 7 HA2 GLY 7 -0.672 -0.234 5.763 56 HA3 GLY 7 HA1 GLY 7 0.533 -1.520 5.800 57 H ALA 8 HN ALA 8 0.530 1.321 3.724 58 HA ALA 8 HA ALA 8 3.233 1.934 4.094 59 HB1 ALA 8 HB1 ALA 8 0.944 3.733 3.271 60 HB2 ALA 8 HB2 ALA 8 1.977 2.791 2.196 61 HB3 ALA 8 HB3 ALA 8 2.651 4.142 3.109 62 H GLY 9 HN GLY 9 0.364 3.051 5.839 63 HA2 GLY 9 HA2 GLY 9 2.138 4.232 7.891 64 HA3 GLY 9 HA1 GLY 9 0.746 5.126 7.286 65 H VAL 10 HN VAL 10 -0.265 5.183 9.277 66 HA VAL 10 HA VAL 10 -1.676 4.492 10.940 67 HB VAL 10 HB VAL 10 -2.145 1.935 9.415 68 HG11 VAL 10 HG11 VAL 10 -3.924 3.828 10.988 69 HG12 VAL 10 HG12 VAL 10 -3.333 2.264 11.545 70 HG13 VAL 10 HG13 VAL 10 -4.466 2.349 10.197 71 HG21 VAL 10 HG21 VAL 10 -2.208 3.530 7.647 72 HG22 VAL 10 HG22 VAL 10 -2.960 4.753 8.671 73 HG23 VAL 10 HG23 VAL 10 -3.887 3.348 8.144 74 H ALA 11 HN ALA 11 1.129 2.891 10.192 75 HA ALA 11 HA ALA 11 2.462 1.356 11.268 76 HB1 ALA 11 HB1 ALA 11 2.530 1.610 13.710 77 HB2 ALA 11 HB2 ALA 11 1.013 2.508 13.664 78 HB3 ALA 11 HB3 ALA 11 2.460 3.180 12.912 79 H SER 12 HN SER 12 -0.106 0.338 10.323 80 HA SER 12 HA SER 12 -1.210 -1.682 10.392 81 HB2 SER 12 HB2 SER 12 -0.170 -3.486 11.405 82 HB3 SER 12 HB1 SER 12 1.178 -2.354 11.346 83 HG SER 12 HG SER 12 -0.624 -2.641 13.525 84 H LEU 13 HN LEU 13 -1.689 0.742 12.249 85 HA LEU 13 HA LEU 13 -3.216 1.386 13.832 86 HB2 LEU 13 HB2 LEU 13 -4.641 0.113 12.101 87 HB3 LEU 13 HB1 LEU 13 -4.635 -1.212 13.262 88 HG LEU 13 HG LEU 13 -5.396 0.685 14.965 89 HD11 LEU 13 HD11 LEU 13 -6.658 2.465 13.999 90 HD12 LEU 13 HD12 LEU 13 -6.573 1.752 12.389 91 HD13 LEU 13 HD13 LEU 13 -5.132 2.451 13.120 92 HD21 LEU 13 HD21 LEU 13 -7.770 0.166 14.387 93 HD22 LEU 13 HD22 LEU 13 -6.755 -1.275 14.404 94 HD23 LEU 13 HD23 LEU 13 -7.219 -0.542 12.870 95 HA PRO 14 HA PRO 14 -1.785 -1.585 17.069 96 HB2 PRO 14 HB2 PRO 14 0.475 -0.370 17.946 97 HB3 PRO 14 HB1 PRO 14 0.463 -1.406 16.505 98 HG2 PRO 14 HG2 PRO 14 0.708 1.531 16.686 99 HG3 PRO 14 HG1 PRO 14 1.198 0.437 15.387 100 HD2 PRO 14 HD2 PRO 14 -1.229 2.034 15.547 101 HD3 PRO 14 HD1 PRO 14 -0.690 0.991 14.219 102 H LEU 15 HN LEU 15 -0.665 1.692 17.828 103 HA LEU 15 HA LEU 15 -1.808 1.764 20.410 104 HB2 LEU 15 HB2 LEU 15 -0.796 3.963 18.597 105 HB3 LEU 15 HB1 LEU 15 -1.289 4.228 20.265 106 HG LEU 15 HG LEU 15 0.817 2.198 19.469 107 HD11 LEU 15 HD11 LEU 15 1.582 4.415 18.784 108 HD12 LEU 15 HD12 LEU 15 2.470 3.900 20.218 109 HD13 LEU 15 HD13 LEU 15 1.163 5.075 20.365 110 HD21 LEU 15 HD21 LEU 15 -0.188 3.343 22.079 111 HD22 LEU 15 HD22 LEU 15 1.464 2.743 21.961 112 HD23 LEU 15 HD23 LEU 15 0.115 1.660 21.649 113 H LEU 16 HN LEU 16 -2.884 2.965 17.278 114 HA LEU 16 HA LEU 16 -5.082 4.488 18.140 115 HB2 LEU 16 HB2 LEU 16 -4.635 2.940 15.579 116 HB3 LEU 16 HB1 LEU 16 -5.958 4.076 15.824 117 HG LEU 16 HG LEU 16 -3.033 4.802 16.140 118 HD11 LEU 16 HD11 LEU 16 -3.587 4.117 13.818 119 HD12 LEU 16 HD12 LEU 16 -3.206 5.836 13.928 120 HD13 LEU 16 HD13 LEU 16 -4.884 5.312 13.793 121 HD21 LEU 16 HD21 LEU 16 -5.637 6.319 16.274 122 HD22 LEU 16 HD22 LEU 16 -4.197 7.145 15.684 123 HD23 LEU 16 HD23 LEU 16 -4.211 6.455 17.302 124 H ASN 17 HN ASN 17 -4.778 1.053 17.337 125 HA ASN 17 HA ASN 17 -7.508 0.379 17.520 126 HB2 ASN 17 HB2 ASN 17 -5.848 -1.133 16.549 127 HB3 ASN 17 HB1 ASN 17 -5.069 -1.310 18.121 128 HD21 ASN 17 HD21 ASN 17 -5.839 -3.698 17.217 129 HD22 ASN 17 HD22 ASN 17 -7.303 -4.218 17.900 130 H VAL 18 HN VAL 18 -4.936 0.456 19.961 131 HA VAL 18 HA VAL 18 -6.487 -0.576 22.104 132 HB VAL 18 HB VAL 18 -4.055 1.228 22.116 133 HG11 VAL 18 HG11 VAL 18 -5.126 1.457 24.248 134 HG12 VAL 18 HG12 VAL 18 -3.830 0.283 24.475 135 HG13 VAL 18 HG13 VAL 18 -5.499 -0.264 24.316 136 HG21 VAL 18 HG21 VAL 18 -3.884 -1.088 21.069 137 HG22 VAL 18 HG22 VAL 18 -4.265 -1.744 22.661 138 HG23 VAL 18 HG23 VAL 18 -2.798 -0.795 22.425 139 H ILE 19 HN ILE 19 -5.746 2.718 21.026 140 HA ILE 19 HA ILE 19 -7.151 4.071 23.076 141 HB ILE 19 HB ILE 19 -6.443 4.896 20.249 142 HG12 ILE 19 HG12 ILE 19 -5.233 5.726 22.898 143 HG13 ILE 19 HG11 ILE 19 -4.610 4.389 21.932 144 HG21 ILE 19 HG21 ILE 19 -7.662 6.442 22.549 145 HG22 ILE 19 HG22 ILE 19 -8.264 6.304 20.896 146 HG23 ILE 19 HG23 ILE 19 -6.802 7.233 21.227 147 HD11 ILE 19 HD11 ILE 19 -4.844 7.282 21.058 148 HD12 ILE 19 HD12 ILE 19 -4.343 5.960 20.006 149 HD13 ILE 19 HD13 ILE 19 -3.351 6.406 21.395 150 H ALA 20 HN ALA 20 -8.080 2.977 19.839 151 HA ALA 20 HA ALA 20 -10.733 4.038 19.951 152 HB1 ALA 20 HB1 ALA 20 -9.770 3.593 17.796 153 HB2 ALA 20 HB2 ALA 20 -11.121 2.480 18.007 154 HB3 ALA 20 HB3 ALA 20 -9.466 1.908 18.217 155 HN1 NH2 21 H2 NH2 21 -10.771 0.250 21.495 156 HN2 NH2 21 H1 NH2 21 -9.342 0.865 20.815 Start of MODEL 28 1 H1 ACE 0 HA2 ACE 0 0.383 -7.618 0.658 2 H2 ACE 0 HA3 ACE 0 -0.692 -6.289 0.222 3 H3 ACE 0 HA1 ACE 0 0.718 -5.986 1.238 4 H LEU 1 HN LEU 1 2.727 -7.271 -0.024 5 HA LEU 1 HA LEU 1 4.340 -6.700 -1.589 6 HB2 LEU 1 HB2 LEU 1 2.063 -7.544 -3.388 7 HB3 LEU 1 HB1 LEU 1 3.778 -7.557 -3.806 8 HG LEU 1 HG LEU 1 2.587 -9.104 -1.492 9 HD11 LEU 1 HD11 LEU 1 2.825 -11.092 -2.933 10 HD12 LEU 1 HD12 LEU 1 3.385 -10.069 -4.257 11 HD13 LEU 1 HD13 LEU 1 1.730 -9.919 -3.667 12 HD21 LEU 1 HD21 LEU 1 5.336 -8.892 -2.721 13 HD22 LEU 1 HD22 LEU 1 4.848 -10.381 -1.914 14 HD23 LEU 1 HD23 LEU 1 4.875 -8.866 -1.018 15 H GLY 2 HN GLY 2 2.566 -4.451 -0.811 16 HA2 GLY 2 HA2 GLY 2 3.514 -2.458 -2.487 17 HA3 GLY 2 HA1 GLY 2 1.935 -2.907 -3.121 18 H LEU 3 HN LEU 3 0.434 -3.373 -0.936 19 HA LEU 3 HA LEU 3 -0.201 -0.777 -0.004 20 HB2 LEU 3 HB2 LEU 3 -1.058 -3.493 1.032 21 HB3 LEU 3 HB1 LEU 3 -1.783 -1.959 1.509 22 HG LEU 3 HG LEU 3 -1.651 -2.993 -1.339 23 HD11 LEU 3 HD11 LEU 3 -3.998 -3.518 -1.113 24 HD12 LEU 3 HD12 LEU 3 -4.048 -2.829 0.509 25 HD13 LEU 3 HD13 LEU 3 -3.138 -4.309 0.207 26 HD21 LEU 3 HD21 LEU 3 -1.863 -0.691 -1.611 27 HD22 LEU 3 HD22 LEU 3 -2.671 -0.466 -0.062 28 HD23 LEU 3 HD23 LEU 3 -3.562 -1.121 -1.435 29 H LEU 4 HN LEU 4 1.687 -3.405 1.359 30 HA LEU 4 HA LEU 4 1.894 -2.513 4.003 31 HB2 LEU 4 HB2 LEU 4 2.663 -4.735 3.206 32 HB3 LEU 4 HB1 LEU 4 3.982 -3.950 2.346 33 HG LEU 4 HG LEU 4 4.786 -3.023 4.552 34 HD11 LEU 4 HD11 LEU 4 2.921 -3.055 5.994 35 HD12 LEU 4 HD12 LEU 4 3.872 -4.424 6.558 36 HD13 LEU 4 HD13 LEU 4 2.469 -4.694 5.528 37 HD21 LEU 4 HD21 LEU 4 5.590 -5.285 5.388 38 HD22 LEU 4 HD22 LEU 4 5.893 -4.965 3.680 39 HD23 LEU 4 HD23 LEU 4 4.560 -6.016 4.159 40 H SER 5 HN SER 5 3.786 -1.665 1.128 41 HA SER 5 HA SER 5 5.803 -0.188 2.377 42 HB2 SER 5 HB2 SER 5 6.141 0.878 0.200 43 HB3 SER 5 HB1 SER 5 5.861 -0.849 0.005 44 HG SER 5 HG SER 5 4.074 -0.420 -1.018 45 H TYR 6 HN TYR 6 2.462 0.624 1.881 46 HA TYR 6 HA TYR 6 2.879 3.481 2.160 47 HB2 TYR 6 HB2 TYR 6 0.432 1.723 2.021 48 HB3 TYR 6 HB1 TYR 6 0.308 3.431 2.439 49 HD1 TYR 6 HD1 TYR 6 1.275 1.035 -0.203 50 HD2 TYR 6 HD2 TYR 6 0.720 5.166 0.811 51 HE1 TYR 6 HE1 TYR 6 1.422 1.639 -2.603 52 HE2 TYR 6 HE2 TYR 6 0.868 5.775 -1.588 53 HH TYR 6 HH TYR 6 1.772 4.883 -3.656 54 H GLY 7 HN GLY 7 3.519 1.249 4.282 55 HA2 GLY 7 HA2 GLY 7 3.830 1.415 6.576 56 HA3 GLY 7 HA1 GLY 7 2.962 2.947 6.549 57 H ALA 8 HN ALA 8 1.587 0.071 5.133 58 HA ALA 8 HA ALA 8 -0.766 0.277 6.728 59 HB1 ALA 8 HB1 ALA 8 -0.046 -2.242 5.254 60 HB2 ALA 8 HB2 ALA 8 -0.419 -0.778 4.350 61 HB3 ALA 8 HB3 ALA 8 -1.620 -1.469 5.440 62 H GLY 9 HN GLY 9 2.273 -0.955 7.402 63 HA2 GLY 9 HA2 GLY 9 1.297 -2.968 9.333 64 HA3 GLY 9 HA1 GLY 9 2.960 -2.775 8.787 65 H VAL 10 HN VAL 10 3.690 -0.311 9.230 66 HA VAL 10 HA VAL 10 3.970 -0.115 12.040 67 HB VAL 10 HB VAL 10 4.520 1.902 9.856 68 HG11 VAL 10 HG11 VAL 10 4.355 3.149 11.878 69 HG12 VAL 10 HG12 VAL 10 6.079 2.848 11.658 70 HG13 VAL 10 HG13 VAL 10 5.154 1.884 12.811 71 HG21 VAL 10 HG21 VAL 10 6.803 1.130 10.014 72 HG22 VAL 10 HG22 VAL 10 5.777 -0.291 9.812 73 HG23 VAL 10 HG23 VAL 10 6.416 0.116 11.404 74 H ALA 11 HN ALA 11 2.006 1.727 9.715 75 HA ALA 11 HA ALA 11 0.870 3.421 11.748 76 HB1 ALA 11 HB1 ALA 11 -0.304 4.468 10.005 77 HB2 ALA 11 HB2 ALA 11 -0.273 3.024 8.992 78 HB3 ALA 11 HB3 ALA 11 1.203 3.953 9.247 79 H SER 12 HN SER 12 0.464 0.263 11.372 80 HA SER 12 HA SER 12 -2.457 0.305 11.896 81 HB2 SER 12 HB2 SER 12 -2.422 -2.076 11.206 82 HB3 SER 12 HB1 SER 12 -1.937 -0.983 9.913 83 HG SER 12 HG SER 12 -0.606 -3.024 10.793 84 H LEU 13 HN LEU 13 -0.696 0.981 13.902 85 HA LEU 13 HA LEU 13 -1.206 -1.185 15.799 86 HB2 LEU 13 HB2 LEU 13 1.369 -0.838 14.743 87 HB3 LEU 13 HB1 LEU 13 1.450 -0.005 16.290 88 HG LEU 13 HG LEU 13 0.315 -2.155 17.255 89 HD11 LEU 13 HD11 LEU 13 1.458 -3.187 14.639 90 HD12 LEU 13 HD12 LEU 13 -0.243 -3.197 15.107 91 HD13 LEU 13 HD13 LEU 13 0.916 -4.203 15.974 92 HD21 LEU 13 HD21 LEU 13 2.500 -3.182 17.607 93 HD22 LEU 13 HD22 LEU 13 2.675 -1.429 17.668 94 HD23 LEU 13 HD23 LEU 13 3.167 -2.315 16.224 95 HA PRO 14 HA PRO 14 -0.501 2.962 18.158 96 HB2 PRO 14 HB2 PRO 14 -0.485 5.048 16.050 97 HB3 PRO 14 HB1 PRO 14 0.660 4.792 17.380 98 HG2 PRO 14 HG2 PRO 14 1.328 4.305 14.831 99 HG3 PRO 14 HG1 PRO 14 1.941 3.303 16.162 100 HD2 PRO 14 HD2 PRO 14 -0.336 2.730 14.274 101 HD3 PRO 14 HD1 PRO 14 0.977 1.655 14.800 102 H LEU 15 HN LEU 15 -2.126 3.963 15.145 103 HA LEU 15 HA LEU 15 -4.293 5.258 16.388 104 HB2 LEU 15 HB2 LEU 15 -3.956 4.119 13.612 105 HB3 LEU 15 HB1 LEU 15 -5.351 5.074 14.100 106 HG LEU 15 HG LEU 15 -2.496 6.049 14.393 107 HD11 LEU 15 HD11 LEU 15 -2.790 5.743 12.049 108 HD12 LEU 15 HD12 LEU 15 -3.103 7.454 12.344 109 HD13 LEU 15 HD13 LEU 15 -4.448 6.339 12.105 110 HD21 LEU 15 HD21 LEU 15 -3.873 8.299 14.249 111 HD22 LEU 15 HD22 LEU 15 -3.826 7.413 15.768 112 HD23 LEU 15 HD23 LEU 15 -5.234 7.281 14.716 113 H LEU 16 HN LEU 16 -4.005 1.961 15.081 114 HA LEU 16 HA LEU 16 -6.711 1.250 15.452 115 HB2 LEU 16 HB2 LEU 16 -4.211 -0.448 15.406 116 HB3 LEU 16 HB1 LEU 16 -5.845 -1.107 15.419 117 HG LEU 16 HG LEU 16 -4.787 0.812 13.319 118 HD11 LEU 16 HD11 LEU 16 -4.435 -1.029 11.885 119 HD12 LEU 16 HD12 LEU 16 -5.369 -2.121 12.906 120 HD13 LEU 16 HD13 LEU 16 -3.779 -1.570 13.426 121 HD21 LEU 16 HD21 LEU 16 -7.092 1.083 13.190 122 HD22 LEU 16 HD22 LEU 16 -7.434 -0.531 13.810 123 HD23 LEU 16 HD23 LEU 16 -6.910 -0.317 12.139 124 H ASN 17 HN ASN 17 -3.895 1.009 17.578 125 HA ASN 17 HA ASN 17 -5.157 -0.429 19.654 126 HB2 ASN 17 HB2 ASN 17 -2.727 -0.144 19.573 127 HB3 ASN 17 HB1 ASN 17 -2.908 1.595 19.816 128 HD21 ASN 17 HD21 ASN 17 -1.406 0.600 21.761 129 HD22 ASN 17 HD22 ASN 17 -2.273 0.305 23.191 130 H VAL 18 HN VAL 18 -4.884 3.047 19.009 131 HA VAL 18 HA VAL 18 -6.161 3.935 21.379 132 HB VAL 18 HB VAL 18 -5.889 5.207 18.645 133 HG11 VAL 18 HG11 VAL 18 -6.400 7.333 19.983 134 HG12 VAL 18 HG12 VAL 18 -7.026 6.266 21.240 135 HG13 VAL 18 HG13 VAL 18 -7.771 6.277 19.641 136 HG21 VAL 18 HG21 VAL 18 -4.047 6.379 19.581 137 HG22 VAL 18 HG22 VAL 18 -3.839 4.716 20.129 138 HG23 VAL 18 HG23 VAL 18 -4.493 5.932 21.228 139 H ILE 19 HN ILE 19 -7.376 3.259 18.112 140 HA ILE 19 HA ILE 19 -10.080 3.930 18.617 141 HB ILE 19 HB ILE 19 -8.823 2.061 16.592 142 HG12 ILE 19 HG12 ILE 19 -9.991 4.837 16.254 143 HG13 ILE 19 HG11 ILE 19 -8.277 4.540 16.543 144 HG21 ILE 19 HG21 ILE 19 -11.102 1.367 16.783 145 HG22 ILE 19 HG22 ILE 19 -11.056 2.454 15.397 146 HG23 ILE 19 HG23 ILE 19 -11.670 3.028 16.946 147 HD11 ILE 19 HD11 ILE 19 -9.811 3.255 14.272 148 HD12 ILE 19 HD12 ILE 19 -8.063 3.292 14.503 149 HD13 ILE 19 HD13 ILE 19 -8.931 4.773 14.100 150 H ALA 20 HN ALA 20 -8.274 0.892 18.795 151 HA ALA 20 HA ALA 20 -10.454 -0.789 19.443 152 HB1 ALA 20 HB1 ALA 20 -8.404 -1.792 18.714 153 HB2 ALA 20 HB2 ALA 20 -8.644 -2.287 20.390 154 HB3 ALA 20 HB3 ALA 20 -7.492 -1.010 20.005 155 HN1 NH2 21 H2 NH2 21 -9.043 0.686 23.011 156 HN2 NH2 21 H1 NH2 21 -8.068 0.806 21.627 Start of MODEL 29 1 H1 ACE 0 HA2 ACE 0 0.545 -9.360 2.260 2 H2 ACE 0 HA3 ACE 0 0.450 -9.177 0.509 3 H3 ACE 0 HA1 ACE 0 -0.487 -8.114 1.560 4 H LEU 1 HN LEU 1 2.365 -8.443 -0.189 5 HA LEU 1 HA LEU 1 4.215 -6.970 1.352 6 HB2 LEU 1 HB2 LEU 1 3.940 -7.325 -1.636 7 HB3 LEU 1 HB1 LEU 1 5.309 -6.520 -0.874 8 HG LEU 1 HG LEU 1 4.428 -9.341 -0.203 9 HD11 LEU 1 HD11 LEU 1 6.475 -8.308 -2.175 10 HD12 LEU 1 HD12 LEU 1 5.135 -9.414 -2.479 11 HD13 LEU 1 HD13 LEU 1 6.523 -9.950 -1.534 12 HD21 LEU 1 HD21 LEU 1 5.737 -8.681 1.610 13 HD22 LEU 1 HD22 LEU 1 6.702 -7.559 0.652 14 HD23 LEU 1 HD23 LEU 1 6.989 -9.293 0.536 15 H GLY 2 HN GLY 2 1.781 -5.961 -1.019 16 HA2 GLY 2 HA2 GLY 2 2.492 -3.215 -1.068 17 HA3 GLY 2 HA1 GLY 2 0.939 -3.891 -1.558 18 H LEU 3 HN LEU 3 0.179 -5.110 0.806 19 HA LEU 3 HA LEU 3 -0.964 -2.942 2.185 20 HB2 LEU 3 HB2 LEU 3 -0.758 -5.863 2.912 21 HB3 LEU 3 HB1 LEU 3 -1.716 -4.691 3.817 22 HG LEU 3 HG LEU 3 -2.058 -5.278 0.859 23 HD11 LEU 3 HD11 LEU 3 -4.029 -6.537 1.475 24 HD12 LEU 3 HD12 LEU 3 -3.824 -6.113 3.175 25 HD13 LEU 3 HD13 LEU 3 -2.661 -7.179 2.384 26 HD21 LEU 3 HD21 LEU 3 -3.349 -3.364 2.788 27 HD22 LEU 3 HD22 LEU 3 -4.370 -4.108 1.557 28 HD23 LEU 3 HD23 LEU 3 -2.972 -3.153 1.078 29 H LEU 4 HN LEU 4 1.793 -5.028 2.897 30 HA LEU 4 HA LEU 4 2.282 -4.107 5.519 31 HB2 LEU 4 HB2 LEU 4 3.312 -6.095 4.115 32 HB3 LEU 4 HB1 LEU 4 4.522 -4.901 3.674 33 HG LEU 4 HG LEU 4 5.371 -6.060 5.589 34 HD11 LEU 4 HD11 LEU 4 4.203 -3.535 6.755 35 HD12 LEU 4 HD12 LEU 4 5.502 -3.510 5.559 36 HD13 LEU 4 HD13 LEU 4 5.752 -4.290 7.118 37 HD21 LEU 4 HD21 LEU 4 2.912 -6.767 6.275 38 HD22 LEU 4 HD22 LEU 4 3.005 -5.345 7.312 39 HD23 LEU 4 HD23 LEU 4 4.173 -6.649 7.496 40 H SER 5 HN SER 5 3.668 -3.065 2.395 41 HA SER 5 HA SER 5 5.239 -0.958 3.464 42 HB2 SER 5 HB2 SER 5 5.624 -1.905 1.223 43 HB3 SER 5 HB1 SER 5 4.075 -1.263 0.685 44 HG SER 5 HG SER 5 5.095 0.809 1.607 45 H TYR 6 HN TYR 6 2.012 -1.050 2.024 46 HA TYR 6 HA TYR 6 1.450 1.709 2.149 47 HB2 TYR 6 HB2 TYR 6 0.119 0.277 0.765 48 HB3 TYR 6 HB1 TYR 6 -0.321 -0.732 2.135 49 HD1 TYR 6 HD1 TYR 6 -0.487 2.853 1.036 50 HD2 TYR 6 HD2 TYR 6 -2.376 -0.352 3.179 51 HE1 TYR 6 HE1 TYR 6 -2.471 4.287 1.437 52 HE2 TYR 6 HE2 TYR 6 -4.355 1.076 3.581 53 HH TYR 6 HH TYR 6 -4.563 3.949 3.644 54 H GLY 7 HN GLY 7 0.768 -0.931 4.430 55 HA2 GLY 7 HA2 GLY 7 -0.157 1.022 6.446 56 HA3 GLY 7 HA1 GLY 7 -0.417 -0.719 6.495 57 H ALA 8 HN ALA 8 2.682 0.702 5.687 58 HA ALA 8 HA ALA 8 4.095 -0.828 7.592 59 HB1 ALA 8 HB1 ALA 8 4.959 0.329 5.444 60 HB2 ALA 8 HB2 ALA 8 6.025 0.289 6.846 61 HB3 ALA 8 HB3 ALA 8 5.137 1.762 6.457 62 H GLY 9 HN GLY 9 2.820 2.454 7.652 63 HA2 GLY 9 HA2 GLY 9 3.001 2.500 10.562 64 HA3 GLY 9 HA1 GLY 9 3.947 3.727 9.721 65 H VAL 10 HN VAL 10 2.907 5.402 8.649 66 HA VAL 10 HA VAL 10 1.269 6.945 8.245 67 HB VAL 10 HB VAL 10 -0.813 4.780 8.444 68 HG11 VAL 10 HG11 VAL 10 -0.432 6.997 6.411 69 HG12 VAL 10 HG12 VAL 10 -1.347 7.214 7.903 70 HG13 VAL 10 HG13 VAL 10 -1.885 6.041 6.703 71 HG21 VAL 10 HG21 VAL 10 0.795 3.605 7.175 72 HG22 VAL 10 HG22 VAL 10 1.390 5.070 6.396 73 HG23 VAL 10 HG23 VAL 10 -0.175 4.399 5.938 74 H ALA 11 HN ALA 11 1.444 5.188 11.068 75 HA ALA 11 HA ALA 11 0.484 5.380 13.166 76 HB1 ALA 11 HB1 ALA 11 0.460 7.713 13.977 77 HB2 ALA 11 HB2 ALA 11 0.633 8.282 12.317 78 HB3 ALA 11 HB3 ALA 11 1.929 7.351 13.070 79 H SER 12 HN SER 12 -1.385 5.352 10.721 80 HA SER 12 HA SER 12 -3.810 6.357 12.112 81 HB2 SER 12 HB2 SER 12 -3.283 6.224 9.131 82 HB3 SER 12 HB1 SER 12 -4.784 6.747 9.890 83 HG SER 12 HG SER 12 -3.822 8.546 10.587 84 H LEU 13 HN LEU 13 -2.296 3.660 11.850 85 HA LEU 13 HA LEU 13 -4.717 2.066 11.539 86 HB2 LEU 13 HB2 LEU 13 -2.910 2.297 9.387 87 HB3 LEU 13 HB1 LEU 13 -2.520 0.744 10.115 88 HG LEU 13 HG LEU 13 -5.059 0.272 10.073 89 HD11 LEU 13 HD11 LEU 13 -4.888 2.710 8.288 90 HD12 LEU 13 HD12 LEU 13 -6.000 2.411 9.623 91 HD13 LEU 13 HD13 LEU 13 -6.170 1.514 8.118 92 HD21 LEU 13 HD21 LEU 13 -3.369 -0.761 8.550 93 HD22 LEU 13 HD22 LEU 13 -3.612 0.573 7.423 94 HD23 LEU 13 HD23 LEU 13 -4.934 -0.539 7.771 95 HA PRO 14 HA PRO 14 -1.237 -0.562 13.634 96 HB2 PRO 14 HB2 PRO 14 0.789 1.498 14.364 97 HB3 PRO 14 HB1 PRO 14 1.027 -0.115 13.659 98 HG2 PRO 14 HG2 PRO 14 1.385 2.083 12.203 99 HG3 PRO 14 HG1 PRO 14 0.645 0.630 11.498 100 HD2 PRO 14 HD2 PRO 14 -0.703 3.132 12.493 101 HD3 PRO 14 HD1 PRO 14 -1.002 2.220 10.995 102 H LEU 15 HN LEU 15 -0.954 2.763 14.926 103 HA LEU 15 HA LEU 15 -1.281 2.025 17.631 104 HB2 LEU 15 HB2 LEU 15 -1.668 4.657 16.203 105 HB3 LEU 15 HB1 LEU 15 -1.784 4.485 17.953 106 HG LEU 15 HG LEU 15 0.640 3.646 16.332 107 HD11 LEU 15 HD11 LEU 15 1.690 5.721 17.101 108 HD12 LEU 15 HD12 LEU 15 0.208 6.177 17.944 109 HD13 LEU 15 HD13 LEU 15 0.229 6.090 16.182 110 HD21 LEU 15 HD21 LEU 15 1.627 4.018 18.780 111 HD22 LEU 15 HD22 LEU 15 0.843 2.500 18.360 112 HD23 LEU 15 HD23 LEU 15 -0.044 3.725 19.267 113 H LEU 16 HN LEU 16 -3.584 3.147 15.192 114 HA LEU 16 HA LEU 16 -5.813 3.400 16.900 115 HB2 LEU 16 HB2 LEU 16 -5.479 2.989 13.936 116 HB3 LEU 16 HB1 LEU 16 -7.088 2.941 14.654 117 HG LEU 16 HG LEU 16 -6.658 5.187 15.664 118 HD11 LEU 16 HD11 LEU 16 -4.715 6.464 14.622 119 HD12 LEU 16 HD12 LEU 16 -4.098 4.906 14.074 120 HD13 LEU 16 HD13 LEU 16 -4.264 5.233 15.799 121 HD21 LEU 16 HD21 LEU 16 -7.742 4.799 13.382 122 HD22 LEU 16 HD22 LEU 16 -6.184 5.219 12.675 123 HD23 LEU 16 HD23 LEU 16 -7.061 6.405 13.641 124 H ASN 17 HN ASN 17 -4.561 0.645 15.052 125 HA ASN 17 HA ASN 17 -6.705 -1.116 15.549 126 HB2 ASN 17 HB2 ASN 17 -4.963 -1.519 13.846 127 HB3 ASN 17 HB1 ASN 17 -3.785 -1.782 15.131 128 HD21 ASN 17 HD21 ASN 17 -3.446 -4.045 14.667 129 HD22 ASN 17 HD22 ASN 17 -4.662 -5.206 14.903 130 H VAL 18 HN VAL 18 -3.689 -0.525 17.350 131 HA VAL 18 HA VAL 18 -4.103 -2.549 19.293 132 HB VAL 18 HB VAL 18 -2.526 0.034 19.419 133 HG11 VAL 18 HG11 VAL 18 -2.937 -0.588 21.684 134 HG12 VAL 18 HG12 VAL 18 -1.334 -1.221 21.306 135 HG13 VAL 18 HG13 VAL 18 -2.727 -2.303 21.328 136 HG21 VAL 18 HG21 VAL 18 -0.618 -1.669 19.204 137 HG22 VAL 18 HG22 VAL 18 -1.595 -1.408 17.761 138 HG23 VAL 18 HG23 VAL 18 -1.854 -2.843 18.753 139 H ILE 19 HN ILE 19 -4.823 0.934 19.294 140 HA ILE 19 HA ILE 19 -5.998 0.995 21.876 141 HB ILE 19 HB ILE 19 -6.359 2.799 19.472 142 HG12 ILE 19 HG12 ILE 19 -4.073 2.773 20.361 143 HG13 ILE 19 HG11 ILE 19 -4.847 4.309 20.724 144 HG21 ILE 19 HG21 ILE 19 -7.382 3.014 22.304 145 HG22 ILE 19 HG22 ILE 19 -8.281 3.184 20.797 146 HG23 ILE 19 HG23 ILE 19 -7.147 4.439 21.293 147 HD11 ILE 19 HD11 ILE 19 -5.482 3.047 22.999 148 HD12 ILE 19 HD12 ILE 19 -3.922 3.835 22.790 149 HD13 ILE 19 HD13 ILE 19 -4.061 2.092 22.575 150 H ALA 20 HN ALA 20 -7.331 0.604 18.623 151 HA ALA 20 HA ALA 20 -10.051 0.395 19.558 152 HB1 ALA 20 HB1 ALA 20 -10.638 0.103 17.288 153 HB2 ALA 20 HB2 ALA 20 -9.037 -0.503 16.864 154 HB3 ALA 20 HB3 ALA 20 -9.259 1.203 17.250 155 HN1 NH2 21 H2 NH2 21 -8.329 -3.251 19.531 156 HN2 NH2 21 H1 NH2 21 -7.417 -1.830 19.342 Start of MODEL 30 1 H1 ACE 0 HA2 ACE 0 8.243 -5.395 1.026 2 H2 ACE 0 HA3 ACE 0 6.930 -6.176 1.907 3 H3 ACE 0 HA1 ACE 0 6.960 -4.419 1.742 4 H LEU 1 HN LEU 1 7.194 -3.763 -0.720 5 HA LEU 1 HA LEU 1 5.961 -3.518 -2.655 6 HB2 LEU 1 HB2 LEU 1 6.479 -6.494 -2.615 7 HB3 LEU 1 HB1 LEU 1 5.846 -5.634 -4.014 8 HG LEU 1 HG LEU 1 8.441 -4.880 -2.641 9 HD11 LEU 1 HD11 LEU 1 8.569 -7.190 -3.513 10 HD12 LEU 1 HD12 LEU 1 9.583 -6.095 -4.452 11 HD13 LEU 1 HD13 LEU 1 8.026 -6.621 -5.092 12 HD21 LEU 1 HD21 LEU 1 8.788 -3.951 -5.084 13 HD22 LEU 1 HD22 LEU 1 7.794 -3.039 -3.953 14 HD23 LEU 1 HD23 LEU 1 7.030 -4.048 -5.179 15 H GLY 2 HN GLY 2 4.233 -3.303 -0.643 16 HA2 GLY 2 HA2 GLY 2 1.739 -3.587 -1.503 17 HA3 GLY 2 HA1 GLY 2 2.054 -5.236 -0.969 18 H LEU 3 HN LEU 3 2.928 -5.432 1.284 19 HA LEU 3 HA LEU 3 1.107 -4.287 3.103 20 HB2 LEU 3 HB2 LEU 3 3.706 -5.763 3.533 21 HB3 LEU 3 HB1 LEU 3 2.627 -5.294 4.845 22 HG LEU 3 HG LEU 3 1.797 -6.994 2.474 23 HD11 LEU 3 HD11 LEU 3 3.369 -8.278 3.734 24 HD12 LEU 3 HD12 LEU 3 1.771 -8.832 4.236 25 HD13 LEU 3 HD13 LEU 3 2.689 -7.733 5.267 26 HD21 LEU 3 HD21 LEU 3 0.380 -5.897 4.886 27 HD22 LEU 3 HD22 LEU 3 -0.042 -7.529 4.372 28 HD23 LEU 3 HD23 LEU 3 -0.227 -6.181 3.255 29 H LEU 4 HN LEU 4 4.472 -3.470 2.320 30 HA LEU 4 HA LEU 4 4.869 -1.647 4.424 31 HB2 LEU 4 HB2 LEU 4 6.728 -2.477 3.076 32 HB3 LEU 4 HB1 LEU 4 6.076 -1.683 1.645 33 HG LEU 4 HG LEU 4 6.408 0.517 2.667 34 HD11 LEU 4 HD11 LEU 4 7.134 -1.144 5.077 35 HD12 LEU 4 HD12 LEU 4 6.070 0.260 4.977 36 HD13 LEU 4 HD13 LEU 4 7.816 0.472 4.881 37 HD21 LEU 4 HD21 LEU 4 8.795 0.576 2.566 38 HD22 LEU 4 HD22 LEU 4 8.299 -0.730 1.489 39 HD23 LEU 4 HD23 LEU 4 8.929 -1.101 3.095 40 H SER 5 HN SER 5 3.736 -1.088 1.082 41 HA SER 5 HA SER 5 3.370 1.714 1.399 42 HB2 SER 5 HB2 SER 5 3.533 0.633 -0.812 43 HB3 SER 5 HB1 SER 5 2.007 -0.196 -0.518 44 HG SER 5 HG SER 5 2.435 2.281 -1.428 45 H TYR 6 HN TYR 6 1.188 -1.054 1.645 46 HA TYR 6 HA TYR 6 -1.181 0.376 2.200 47 HB2 TYR 6 HB2 TYR 6 -1.315 -1.906 1.487 48 HB3 TYR 6 HB1 TYR 6 -0.309 -2.449 2.825 49 HD1 TYR 6 HD2 TYR 6 -3.525 -0.641 2.146 50 HD2 TYR 6 HD1 TYR 6 -1.333 -3.223 4.786 51 HE1 TYR 6 HE2 TYR 6 -5.553 -0.934 3.546 52 HE2 TYR 6 HE1 TYR 6 -3.353 -3.518 6.183 53 HH TYR 6 HH TYR 6 -6.316 -1.689 5.538 54 H GLY 7 HN GLY 7 1.245 -1.085 4.333 55 HA2 GLY 7 HA2 GLY 7 -0.100 -0.236 6.740 56 HA3 GLY 7 HA1 GLY 7 1.479 -1.007 6.640 57 H ALA 8 HN ALA 8 1.436 1.531 4.488 58 HA ALA 8 HA ALA 8 3.346 3.051 5.887 59 HB1 ALA 8 HB1 ALA 8 1.518 3.985 3.664 60 HB2 ALA 8 HB2 ALA 8 3.028 3.108 3.420 61 HB3 ALA 8 HB3 ALA 8 3.050 4.718 4.140 62 H GLY 9 HN GLY 9 -0.159 3.403 5.560 63 HA2 GLY 9 HA2 GLY 9 -0.130 5.661 7.480 64 HA3 GLY 9 HA1 GLY 9 -1.439 5.283 6.364 65 H VAL 10 HN VAL 10 -1.939 2.679 6.722 66 HA VAL 10 HA VAL 10 -3.432 2.594 9.114 67 HB VAL 10 HB VAL 10 -2.560 0.341 7.289 68 HG11 VAL 10 HG11 VAL 10 -4.545 0.501 9.554 69 HG12 VAL 10 HG12 VAL 10 -3.238 -0.661 9.333 70 HG13 VAL 10 HG13 VAL 10 -4.664 -0.728 8.297 71 HG21 VAL 10 HG21 VAL 10 -5.174 1.877 7.434 72 HG22 VAL 10 HG22 VAL 10 -4.742 0.640 6.253 73 HG23 VAL 10 HG23 VAL 10 -3.906 2.192 6.248 74 H ALA 11 HN ALA 11 -0.353 1.079 8.204 75 HA ALA 11 HA ALA 11 1.332 0.165 9.458 76 HB1 ALA 11 HB1 ALA 11 0.172 1.713 11.779 77 HB2 ALA 11 HB2 ALA 11 1.169 2.451 10.528 78 HB3 ALA 11 HB3 ALA 11 1.840 1.187 11.558 79 H SER 12 HN SER 12 -1.320 -1.143 9.300 80 HA SER 12 HA SER 12 -2.214 -3.119 10.052 81 HB2 SER 12 HB2 SER 12 0.448 -3.306 10.704 82 HB3 SER 12 HB1 SER 12 -0.317 -3.580 12.263 83 HG SER 12 HG SER 12 -0.021 -5.322 10.400 84 H LEU 13 HN LEU 13 -2.749 -0.419 11.317 85 HA LEU 13 HA LEU 13 -3.939 0.453 13.095 86 HB2 LEU 13 HB2 LEU 13 -5.027 -2.256 12.514 87 HB3 LEU 13 HB1 LEU 13 -5.544 -1.550 14.041 88 HG LEU 13 HG LEU 13 -5.677 0.111 11.530 89 HD11 LEU 13 HD11 LEU 13 -6.798 -2.024 10.975 90 HD12 LEU 13 HD12 LEU 13 -7.962 -0.707 11.122 91 HD13 LEU 13 HD13 LEU 13 -7.784 -1.878 12.429 92 HD21 LEU 13 HD21 LEU 13 -7.579 -0.003 13.877 93 HD22 LEU 13 HD22 LEU 13 -7.342 1.314 12.727 94 HD23 LEU 13 HD23 LEU 13 -6.100 0.956 13.926 95 HA PRO 14 HA PRO 14 -1.381 -1.533 16.389 96 HB2 PRO 14 HB2 PRO 14 0.761 0.127 16.443 97 HB3 PRO 14 HB1 PRO 14 0.619 -1.192 15.264 98 HG2 PRO 14 HG2 PRO 14 0.375 1.718 14.843 99 HG3 PRO 14 HG1 PRO 14 0.752 0.441 13.679 100 HD2 PRO 14 HD2 PRO 14 -1.827 1.708 14.161 101 HD3 PRO 14 HD1 PRO 14 -1.419 0.484 12.944 102 H LEU 15 HN LEU 15 -0.534 1.886 16.382 103 HA LEU 15 HA LEU 15 -1.216 2.315 19.084 104 HB2 LEU 15 HB2 LEU 15 -0.748 4.252 16.810 105 HB3 LEU 15 HB1 LEU 15 -0.939 4.743 18.491 106 HG LEU 15 HG LEU 15 1.162 2.786 17.513 107 HD11 LEU 15 HD11 LEU 15 1.383 5.737 18.178 108 HD12 LEU 15 HD12 LEU 15 1.561 5.015 16.580 109 HD13 LEU 15 HD13 LEU 15 2.746 4.671 17.841 110 HD21 LEU 15 HD21 LEU 15 0.983 2.322 19.786 111 HD22 LEU 15 HD22 LEU 15 0.432 3.947 20.194 112 HD23 LEU 15 HD23 LEU 15 2.135 3.651 19.848 113 H LEU 16 HN LEU 16 -2.936 2.968 16.071 114 HA LEU 16 HA LEU 16 -5.066 4.463 17.134 115 HB2 LEU 16 HB2 LEU 16 -4.766 2.704 14.710 116 HB3 LEU 16 HB1 LEU 16 -6.294 3.502 15.065 117 HG LEU 16 HG LEU 16 -3.686 5.035 14.944 118 HD11 LEU 16 HD11 LEU 16 -4.366 5.629 12.600 119 HD12 LEU 16 HD12 LEU 16 -5.613 4.386 12.696 120 HD13 LEU 16 HD13 LEU 16 -3.911 3.937 12.794 121 HD21 LEU 16 HD21 LEU 16 -5.397 6.858 14.246 122 HD22 LEU 16 HD22 LEU 16 -5.393 6.370 15.934 123 HD23 LEU 16 HD23 LEU 16 -6.631 5.752 14.842 124 H ASN 17 HN ASN 17 -4.630 0.983 16.688 125 HA ASN 17 HA ASN 17 -7.212 0.172 17.476 126 HB2 ASN 17 HB2 ASN 17 -5.598 -1.328 16.370 127 HB3 ASN 17 HB1 ASN 17 -4.594 -1.304 17.819 128 HD21 ASN 17 HD21 ASN 17 -4.875 -3.486 18.495 129 HD22 ASN 17 HD22 ASN 17 -6.384 -4.139 18.916 130 H VAL 18 HN VAL 18 -4.253 0.757 19.336 131 HA VAL 18 HA VAL 18 -5.229 -0.136 21.839 132 HB VAL 18 HB VAL 18 -3.099 1.907 21.158 133 HG11 VAL 18 HG11 VAL 18 -2.325 1.320 23.529 134 HG12 VAL 18 HG12 VAL 18 -3.932 0.637 23.774 135 HG13 VAL 18 HG13 VAL 18 -3.749 2.353 23.411 136 HG21 VAL 18 HG21 VAL 18 -2.861 -0.977 22.069 137 HG22 VAL 18 HG22 VAL 18 -1.556 0.076 21.521 138 HG23 VAL 18 HG23 VAL 18 -2.782 -0.476 20.380 139 H ILE 19 HN ILE 19 -5.138 3.068 20.316 140 HA ILE 19 HA ILE 19 -6.340 4.489 22.448 141 HB ILE 19 HB ILE 19 -6.239 5.041 19.472 142 HG12 ILE 19 HG12 ILE 19 -4.721 6.324 21.757 143 HG13 ILE 19 HG11 ILE 19 -4.095 4.957 20.836 144 HG21 ILE 19 HG21 ILE 19 -7.235 6.715 21.789 145 HG22 ILE 19 HG22 ILE 19 -8.099 6.297 20.310 146 HG23 ILE 19 HG23 ILE 19 -6.740 7.420 20.252 147 HD11 ILE 19 HD11 ILE 19 -4.074 6.214 18.802 148 HD12 ILE 19 HD12 ILE 19 -3.360 7.264 20.026 149 HD13 ILE 19 HD13 ILE 19 -5.030 7.513 19.515 150 H ALA 20 HN ALA 20 -7.649 2.918 19.557 151 HA ALA 20 HA ALA 20 -10.356 3.675 20.000 152 HB1 ALA 20 HB1 ALA 20 -9.202 1.351 18.439 153 HB2 ALA 20 HB2 ALA 20 -9.583 2.951 17.800 154 HB3 ALA 20 HB3 ALA 20 -10.878 1.894 18.361 155 HN1 NH2 21 H2 NH2 21 -9.880 -0.034 21.720 156 HN2 NH2 21 H1 NH2 21 -8.818 0.441 20.484 Start of MODEL 31 1 H1 ACE 0 HA2 ACE 0 -1.584 -6.847 -0.439 2 H2 ACE 0 HA3 ACE 0 -2.176 -6.895 -2.099 3 H3 ACE 0 HA1 ACE 0 -1.832 -5.345 -1.330 4 H LEU 1 HN LEU 1 0.423 -7.654 -0.412 5 HA LEU 1 HA LEU 1 2.723 -7.648 -0.731 6 HB2 LEU 1 HB2 LEU 1 1.638 -8.139 -3.509 7 HB3 LEU 1 HB1 LEU 1 3.312 -8.419 -3.037 8 HG LEU 1 HG LEU 1 0.942 -9.695 -1.646 9 HD11 LEU 1 HD11 LEU 1 2.639 -10.635 -3.964 10 HD12 LEU 1 HD12 LEU 1 0.880 -10.601 -3.835 11 HD13 LEU 1 HD13 LEU 1 1.810 -11.778 -2.907 12 HD21 LEU 1 HD21 LEU 1 3.940 -9.942 -1.416 13 HD22 LEU 1 HD22 LEU 1 2.933 -11.347 -1.069 14 HD23 LEU 1 HD23 LEU 1 2.724 -9.868 -0.142 15 H GLY 2 HN GLY 2 1.449 -4.985 -0.938 16 HA2 GLY 2 HA2 GLY 2 3.713 -3.576 -2.027 17 HA3 GLY 2 HA1 GLY 2 2.249 -3.356 -2.980 18 H LEU 3 HN LEU 3 0.449 -3.521 -0.703 19 HA LEU 3 HA LEU 3 0.653 -0.766 0.185 20 HB2 LEU 3 HB2 LEU 3 -1.397 -2.899 0.828 21 HB3 LEU 3 HB1 LEU 3 -1.544 -1.183 1.202 22 HG LEU 3 HG LEU 3 -1.255 -2.328 -1.592 23 HD11 LEU 3 HD11 LEU 3 -3.680 -1.179 -0.176 24 HD12 LEU 3 HD12 LEU 3 -3.422 -2.888 -0.524 25 HD13 LEU 3 HD13 LEU 3 -3.630 -1.741 -1.847 26 HD21 LEU 3 HD21 LEU 3 -2.144 0.111 -2.069 27 HD22 LEU 3 HD22 LEU 3 -0.432 -0.135 -1.748 28 HD23 LEU 3 HD23 LEU 3 -1.490 0.464 -0.470 29 H LEU 4 HN LEU 4 1.780 -3.737 1.278 30 HA LEU 4 HA LEU 4 1.443 -3.511 4.072 31 HB2 LEU 4 HB2 LEU 4 3.386 -4.974 2.300 32 HB3 LEU 4 HB1 LEU 4 3.605 -4.988 4.047 33 HG LEU 4 HG LEU 4 2.269 -6.933 3.122 34 HD11 LEU 4 HD11 LEU 4 0.946 -7.072 5.014 35 HD12 LEU 4 HD12 LEU 4 0.415 -5.396 4.919 36 HD13 LEU 4 HD13 LEU 4 2.028 -5.779 5.519 37 HD21 LEU 4 HD21 LEU 4 0.048 -6.576 2.298 38 HD22 LEU 4 HD22 LEU 4 1.083 -5.451 1.420 39 HD23 LEU 4 HD23 LEU 4 0.081 -4.872 2.749 40 H SER 5 HN SER 5 4.008 -2.357 1.900 41 HA SER 5 HA SER 5 5.767 -1.419 3.884 42 HB2 SER 5 HB2 SER 5 5.302 -0.505 1.043 43 HB3 SER 5 HB1 SER 5 6.607 0.107 2.055 44 HG SER 5 HG SER 5 7.024 -2.283 2.369 45 H TYR 6 HN TYR 6 3.135 0.239 2.151 46 HA TYR 6 HA TYR 6 3.497 2.751 3.422 47 HB2 TYR 6 HB2 TYR 6 1.093 1.495 2.083 48 HB3 TYR 6 HB1 TYR 6 1.120 3.157 2.676 49 HD1 TYR 6 HD1 TYR 6 2.655 4.829 1.679 50 HD2 TYR 6 HD2 TYR 6 2.341 0.846 0.113 51 HE1 TYR 6 HE1 TYR 6 3.799 5.554 -0.402 52 HE2 TYR 6 HE2 TYR 6 3.483 1.566 -1.964 53 HH TYR 6 HH TYR 6 4.549 4.944 -2.395 54 H GLY 7 HN GLY 7 1.455 -0.051 4.144 55 HA2 GLY 7 HA2 GLY 7 0.557 1.189 6.666 56 HA3 GLY 7 HA1 GLY 7 -0.124 -0.252 5.915 57 H ALA 8 HN ALA 8 3.316 0.264 6.245 58 HA ALA 8 HA ALA 8 3.809 -2.242 7.420 59 HB1 ALA 8 HB1 ALA 8 5.626 -1.223 6.305 60 HB2 ALA 8 HB2 ALA 8 6.066 -1.152 8.011 61 HB3 ALA 8 HB3 ALA 8 5.439 0.284 7.201 62 H GLY 9 HN GLY 9 3.302 0.954 8.847 63 HA2 GLY 9 HA2 GLY 9 2.246 0.111 11.247 64 HA3 GLY 9 HA1 GLY 9 3.984 0.155 11.513 65 H VAL 10 HN VAL 10 2.316 2.357 9.337 66 HA VAL 10 HA VAL 10 3.270 4.628 10.920 67 HB VAL 10 HB VAL 10 1.876 4.495 8.234 68 HG11 VAL 10 HG11 VAL 10 3.040 6.775 9.847 69 HG12 VAL 10 HG12 VAL 10 1.415 6.640 9.173 70 HG13 VAL 10 HG13 VAL 10 2.794 6.882 8.103 71 HG21 VAL 10 HG21 VAL 10 4.773 4.872 9.053 72 HG22 VAL 10 HG22 VAL 10 4.171 5.137 7.417 73 HG23 VAL 10 HG23 VAL 10 4.100 3.527 8.130 74 H ALA 11 HN ALA 11 0.260 4.297 9.094 75 HA ALA 11 HA ALA 11 -1.238 5.433 11.377 76 HB1 ALA 11 HB1 ALA 11 -2.023 5.133 8.467 77 HB2 ALA 11 HB2 ALA 11 -1.435 6.615 9.224 78 HB3 ALA 11 HB3 ALA 11 -2.980 5.924 9.721 79 H SER 12 HN SER 12 -0.544 2.518 9.900 80 HA SER 12 HA SER 12 -3.134 1.260 10.297 81 HB2 SER 12 HB2 SER 12 -0.449 0.210 9.399 82 HB3 SER 12 HB1 SER 12 -1.875 -0.806 9.595 83 HG SER 12 HG SER 12 -2.268 -0.170 7.623 84 H LEU 13 HN LEU 13 -1.043 2.292 12.493 85 HA LEU 13 HA LEU 13 -1.488 -0.043 14.250 86 HB2 LEU 13 HB2 LEU 13 1.049 1.030 13.390 87 HB3 LEU 13 HB1 LEU 13 0.900 1.274 15.127 88 HG LEU 13 HG LEU 13 1.966 -0.874 14.653 89 HD11 LEU 13 HD11 LEU 13 0.847 -2.045 16.273 90 HD12 LEU 13 HD12 LEU 13 -0.736 -1.792 15.545 91 HD13 LEU 13 HD13 LEU 13 0.022 -0.504 16.480 92 HD21 LEU 13 HD21 LEU 13 0.550 -1.043 12.396 93 HD22 LEU 13 HD22 LEU 13 -0.535 -1.987 13.416 94 HD23 LEU 13 HD23 LEU 13 1.140 -2.488 13.212 95 HA PRO 14 HA PRO 14 -1.305 3.923 17.072 96 HB2 PRO 14 HB2 PRO 14 -1.941 6.010 15.019 97 HB3 PRO 14 HB1 PRO 14 -0.869 6.107 16.431 98 HG2 PRO 14 HG2 PRO 14 0.131 5.905 13.985 99 HG3 PRO 14 HG1 PRO 14 0.871 5.036 15.345 100 HD2 PRO 14 HD2 PRO 14 -0.907 3.966 13.170 101 HD3 PRO 14 HD1 PRO 14 0.524 3.229 13.919 102 H LEU 15 HN LEU 15 -3.404 4.286 14.201 103 HA LEU 15 HA LEU 15 -5.718 5.078 15.621 104 HB2 LEU 15 HB2 LEU 15 -5.375 3.769 12.917 105 HB3 LEU 15 HB1 LEU 15 -6.918 4.363 13.521 106 HG LEU 15 HG LEU 15 -4.436 6.089 13.300 107 HD11 LEU 15 HD11 LEU 15 -6.713 5.646 11.356 108 HD12 LEU 15 HD12 LEU 15 -4.985 5.435 11.062 109 HD13 LEU 15 HD13 LEU 15 -5.650 7.053 11.287 110 HD21 LEU 15 HD21 LEU 15 -7.326 6.577 14.020 111 HD22 LEU 15 HD22 LEU 15 -6.410 7.860 13.234 112 HD23 LEU 15 HD23 LEU 15 -5.866 7.211 14.777 113 H LEU 16 HN LEU 16 -4.588 1.916 14.493 114 HA LEU 16 HA LEU 16 -6.863 0.462 15.376 115 HB2 LEU 16 HB2 LEU 16 -4.056 -0.618 15.075 116 HB3 LEU 16 HB1 LEU 16 -5.570 -1.511 14.953 117 HG LEU 16 HG LEU 16 -4.490 0.567 13.035 118 HD11 LEU 16 HD11 LEU 16 -5.468 -2.221 12.418 119 HD12 LEU 16 HD12 LEU 16 -3.818 -1.937 12.965 120 HD13 LEU 16 HD13 LEU 16 -4.389 -1.197 11.470 121 HD21 LEU 16 HD21 LEU 16 -6.799 1.103 13.132 122 HD22 LEU 16 HD22 LEU 16 -7.270 -0.589 13.306 123 HD23 LEU 16 HD23 LEU 16 -6.668 0.006 11.759 124 H ASN 17 HN ASN 17 -3.811 1.364 16.887 125 HA ASN 17 HA ASN 17 -3.990 -0.259 19.175 126 HB2 ASN 17 HB2 ASN 17 -2.672 2.415 18.696 127 HB3 ASN 17 HB1 ASN 17 -2.513 1.529 20.212 128 HD21 ASN 17 HD21 ASN 17 -0.241 2.044 18.540 129 HD22 ASN 17 HD22 ASN 17 0.302 0.566 17.912 130 H VAL 18 HN VAL 18 -5.236 2.996 18.511 131 HA VAL 18 HA VAL 18 -6.224 3.508 21.119 132 HB VAL 18 HB VAL 18 -7.103 4.580 18.426 133 HG11 VAL 18 HG11 VAL 18 -8.925 4.916 19.963 134 HG12 VAL 18 HG12 VAL 18 -8.057 6.447 19.861 135 HG13 VAL 18 HG13 VAL 18 -7.822 5.392 21.254 136 HG21 VAL 18 HG21 VAL 18 -5.448 5.897 20.594 137 HG22 VAL 18 HG22 VAL 18 -5.686 6.450 18.937 138 HG23 VAL 18 HG23 VAL 18 -4.726 5.005 19.256 139 H ILE 19 HN ILE 19 -7.709 2.139 18.207 140 HA ILE 19 HA ILE 19 -10.307 1.780 19.270 141 HB ILE 19 HB ILE 19 -8.824 0.327 17.063 142 HG12 ILE 19 HG12 ILE 19 -11.024 2.403 16.909 143 HG13 ILE 19 HG11 ILE 19 -9.309 2.813 16.853 144 HG21 ILE 19 HG21 ILE 19 -11.724 0.218 17.935 145 HG22 ILE 19 HG22 ILE 19 -10.598 -1.132 17.797 146 HG23 ILE 19 HG23 ILE 19 -11.174 -0.312 16.347 147 HD11 ILE 19 HD11 ILE 19 -10.346 2.553 14.579 148 HD12 ILE 19 HD12 ILE 19 -10.646 0.859 14.963 149 HD13 ILE 19 HD13 ILE 19 -8.992 1.460 14.864 150 H ALA 20 HN ALA 20 -7.459 -0.314 19.104 151 HA ALA 20 HA ALA 20 -8.790 -2.457 20.567 152 HB1 ALA 20 HB1 ALA 20 -7.231 -3.081 18.813 153 HB2 ALA 20 HB2 ALA 20 -6.574 -3.583 20.371 154 HB3 ALA 20 HB3 ALA 20 -5.947 -2.140 19.573 155 HN1 NH2 21 H2 NH2 21 -6.839 -0.027 23.055 156 HN2 NH2 21 H1 NH2 21 -7.344 0.432 21.501 Start of MODEL 32 1 H1 ACE 0 HA2 ACE 0 3.809 -7.989 -0.038 2 H2 ACE 0 HA3 ACE 0 4.785 -6.592 -0.489 3 H3 ACE 0 HA1 ACE 0 5.038 -8.141 -1.293 4 H LEU 1 HN LEU 1 2.063 -6.365 -0.493 5 HA LEU 1 HA LEU 1 1.043 -6.797 -3.187 6 HB2 LEU 1 HB2 LEU 1 -0.150 -5.524 -0.721 7 HB3 LEU 1 HB1 LEU 1 -1.011 -5.706 -2.246 8 HG LEU 1 HG LEU 1 0.231 -8.032 -0.748 9 HD11 LEU 1 HD11 LEU 1 -2.687 -7.211 -0.767 10 HD12 LEU 1 HD12 LEU 1 -1.582 -6.846 0.558 11 HD13 LEU 1 HD13 LEU 1 -1.954 -8.522 0.157 12 HD21 LEU 1 HD21 LEU 1 -1.579 -7.754 -3.152 13 HD22 LEU 1 HD22 LEU 1 -1.622 -9.221 -2.179 14 HD23 LEU 1 HD23 LEU 1 -0.128 -8.737 -2.970 15 H GLY 2 HN GLY 2 2.988 -4.538 -1.747 16 HA2 GLY 2 HA2 GLY 2 3.865 -2.690 -3.009 17 HA3 GLY 2 HA1 GLY 2 2.288 -2.494 -3.768 18 H LEU 3 HN LEU 3 1.013 -2.938 -1.072 19 HA LEU 3 HA LEU 3 1.129 -0.143 -0.196 20 HB2 LEU 3 HB2 LEU 3 -0.710 -2.432 0.543 21 HB3 LEU 3 HB1 LEU 3 -0.844 -0.798 1.190 22 HG LEU 3 HG LEU 3 -0.928 -1.464 -1.768 23 HD11 LEU 3 HD11 LEU 3 -2.844 -2.448 -0.536 24 HD12 LEU 3 HD12 LEU 3 -3.354 -1.140 -1.605 25 HD13 LEU 3 HD13 LEU 3 -3.216 -0.858 0.130 26 HD21 LEU 3 HD21 LEU 3 -2.125 0.909 -1.635 27 HD22 LEU 3 HD22 LEU 3 -0.369 0.802 -1.679 28 HD23 LEU 3 HD23 LEU 3 -1.197 1.062 -0.144 29 H LEU 4 HN LEU 4 2.722 -2.960 0.541 30 HA LEU 4 HA LEU 4 2.712 -2.982 3.360 31 HB2 LEU 4 HB2 LEU 4 3.586 -4.864 2.076 32 HB3 LEU 4 HB1 LEU 4 4.861 -3.849 1.406 33 HG LEU 4 HG LEU 4 5.839 -3.553 3.633 34 HD11 LEU 4 HD11 LEU 4 4.811 -5.115 5.472 35 HD12 LEU 4 HD12 LEU 4 3.348 -5.017 4.493 36 HD13 LEU 4 HD13 LEU 4 4.061 -3.553 5.166 37 HD21 LEU 4 HD21 LEU 4 5.190 -6.423 2.903 38 HD22 LEU 4 HD22 LEU 4 6.414 -5.966 4.088 39 HD23 LEU 4 HD23 LEU 4 6.600 -5.492 2.400 40 H SER 5 HN SER 5 4.822 -1.353 1.017 41 HA SER 5 HA SER 5 6.446 -0.098 3.022 42 HB2 SER 5 HB2 SER 5 7.290 -0.512 0.741 43 HB3 SER 5 HB1 SER 5 6.086 0.602 0.097 44 HG SER 5 HG SER 5 7.975 1.739 0.398 45 H TYR 6 HN TYR 6 3.547 0.715 1.252 46 HA TYR 6 HA TYR 6 3.423 3.470 1.703 47 HB2 TYR 6 HB2 TYR 6 1.906 2.272 0.187 48 HB3 TYR 6 HB1 TYR 6 1.156 1.467 1.565 49 HD1 TYR 6 HD1 TYR 6 1.990 4.908 0.325 50 HD2 TYR 6 HD2 TYR 6 -0.731 2.443 2.556 51 HE1 TYR 6 HE1 TYR 6 0.475 6.846 0.620 52 HE2 TYR 6 HE2 TYR 6 -2.244 4.385 2.852 53 HH TYR 6 HH TYR 6 -2.107 7.114 1.055 54 H GLY 7 HN GLY 7 3.704 1.163 4.021 55 HA2 GLY 7 HA2 GLY 7 3.632 1.395 6.329 56 HA3 GLY 7 HA1 GLY 7 2.864 2.966 6.116 57 H ALA 8 HN ALA 8 1.663 0.061 4.582 58 HA ALA 8 HA ALA 8 -0.879 0.372 5.999 59 HB1 ALA 8 HB1 ALA 8 -1.816 -1.032 4.337 60 HB2 ALA 8 HB2 ALA 8 -0.238 -1.660 3.864 61 HB3 ALA 8 HB3 ALA 8 -0.675 0.005 3.478 62 H GLY 9 HN GLY 9 0.913 -0.396 7.830 63 HA2 GLY 9 HA2 GLY 9 -0.118 -2.584 9.093 64 HA3 GLY 9 HA1 GLY 9 1.136 -3.261 8.059 65 H VAL 10 HN VAL 10 1.135 -0.124 9.701 66 HA VAL 10 HA VAL 10 3.135 -1.057 11.635 67 HB VAL 10 HB VAL 10 4.519 1.043 11.021 68 HG11 VAL 10 HG11 VAL 10 5.763 -0.228 9.295 69 HG12 VAL 10 HG12 VAL 10 4.402 -1.339 9.149 70 HG13 VAL 10 HG13 VAL 10 5.310 -1.251 10.657 71 HG21 VAL 10 HG21 VAL 10 2.953 0.637 8.451 72 HG22 VAL 10 HG22 VAL 10 4.386 1.649 8.614 73 HG23 VAL 10 HG23 VAL 10 2.913 2.070 9.478 74 H ALA 11 HN ALA 11 1.399 1.804 10.391 75 HA ALA 11 HA ALA 11 1.204 2.878 13.126 76 HB1 ALA 11 HB1 ALA 11 0.558 4.079 10.423 77 HB2 ALA 11 HB2 ALA 11 1.956 4.448 11.434 78 HB3 ALA 11 HB3 ALA 11 0.338 4.908 11.966 79 H SER 12 HN SER 12 -0.522 0.983 10.964 80 HA SER 12 HA SER 12 -3.177 1.926 11.646 81 HB2 SER 12 HB2 SER 12 -2.069 -0.308 9.977 82 HB3 SER 12 HB1 SER 12 -3.773 -0.311 10.426 83 HG SER 12 HG SER 12 -3.274 0.790 8.426 84 H LEU 13 HN LEU 13 -0.883 0.062 13.222 85 HA LEU 13 HA LEU 13 -2.840 -1.684 14.543 86 HB2 LEU 13 HB2 LEU 13 0.101 -1.690 14.161 87 HB3 LEU 13 HB1 LEU 13 -0.436 -2.270 15.737 88 HG LEU 13 HG LEU 13 -1.989 -3.849 14.569 89 HD11 LEU 13 HD11 LEU 13 -0.586 -2.736 12.123 90 HD12 LEU 13 HD12 LEU 13 -2.313 -2.670 12.475 91 HD13 LEU 13 HD13 LEU 13 -1.544 -4.217 12.117 92 HD21 LEU 13 HD21 LEU 13 0.915 -4.053 13.709 93 HD22 LEU 13 HD22 LEU 13 -0.230 -5.391 13.814 94 HD23 LEU 13 HD23 LEU 13 0.285 -4.553 15.278 95 HA PRO 14 HA PRO 14 -1.091 0.507 18.461 96 HB2 PRO 14 HB2 PRO 14 0.390 2.823 18.014 97 HB3 PRO 14 HB1 PRO 14 1.088 1.217 18.295 98 HG2 PRO 14 HG2 PRO 14 0.586 2.627 15.709 99 HG3 PRO 14 HG1 PRO 14 1.999 1.684 16.221 100 HD2 PRO 14 HD2 PRO 14 0.165 0.610 14.584 101 HD3 PRO 14 HD1 PRO 14 0.928 -0.370 15.858 102 H LEU 15 HN LEU 15 -1.724 2.775 15.759 103 HA LEU 15 HA LEU 15 -3.104 4.696 17.306 104 HB2 LEU 15 HB2 LEU 15 -3.299 4.019 14.365 105 HB3 LEU 15 HB1 LEU 15 -4.093 5.406 15.104 106 HG LEU 15 HG LEU 15 -1.104 4.889 15.210 107 HD11 LEU 15 HD11 LEU 15 -2.571 6.954 13.550 108 HD12 LEU 15 HD12 LEU 15 -2.079 5.388 12.908 109 HD13 LEU 15 HD13 LEU 15 -0.861 6.530 13.475 110 HD21 LEU 15 HD21 LEU 15 -1.512 6.308 17.025 111 HD22 LEU 15 HD22 LEU 15 -2.916 7.054 16.264 112 HD23 LEU 15 HD23 LEU 15 -1.291 7.492 15.741 113 H LEU 16 HN LEU 16 -4.225 1.862 15.514 114 HA LEU 16 HA LEU 16 -6.991 2.259 15.962 115 HB2 LEU 16 HB2 LEU 16 -5.276 -0.095 15.224 116 HB3 LEU 16 HB1 LEU 16 -6.974 -0.350 15.611 117 HG LEU 16 HG LEU 16 -6.443 0.004 13.142 118 HD11 LEU 16 HD11 LEU 16 -8.703 0.531 14.397 119 HD12 LEU 16 HD12 LEU 16 -8.476 1.059 12.733 120 HD13 LEU 16 HD13 LEU 16 -8.279 2.209 14.053 121 HD21 LEU 16 HD21 LEU 16 -4.767 1.882 13.716 122 HD22 LEU 16 HD22 LEU 16 -6.181 2.921 13.882 123 HD23 LEU 16 HD23 LEU 16 -5.831 2.147 12.338 124 H ASN 17 HN ASN 17 -4.463 0.592 17.769 125 HA ASN 17 HA ASN 17 -6.096 -0.640 19.702 126 HB2 ASN 17 HB2 ASN 17 -3.218 0.260 19.692 127 HB3 ASN 17 HB1 ASN 17 -3.939 -0.481 21.120 128 HD21 ASN 17 HD21 ASN 17 -5.648 -2.386 19.760 129 HD22 ASN 17 HD22 ASN 17 -4.644 -3.528 19.009 130 H VAL 18 HN VAL 18 -4.616 2.585 19.595 131 HA VAL 18 HA VAL 18 -5.307 3.380 22.216 132 HB VAL 18 HB VAL 18 -4.913 5.016 19.698 133 HG11 VAL 18 HG11 VAL 18 -5.362 5.810 22.578 134 HG12 VAL 18 HG12 VAL 18 -6.163 6.427 21.134 135 HG13 VAL 18 HG13 VAL 18 -4.486 6.860 21.464 136 HG21 VAL 18 HG21 VAL 18 -2.993 3.620 20.680 137 HG22 VAL 18 HG22 VAL 18 -3.071 4.694 22.077 138 HG23 VAL 18 HG23 VAL 18 -2.686 5.345 20.484 139 H ILE 19 HN ILE 19 -6.996 3.742 19.109 140 HA ILE 19 HA ILE 19 -9.241 5.132 20.131 141 HB ILE 19 HB ILE 19 -8.929 3.358 17.693 142 HG12 ILE 19 HG12 ILE 19 -9.093 6.375 17.950 143 HG13 ILE 19 HG11 ILE 19 -7.575 5.484 17.857 144 HG21 ILE 19 HG21 ILE 19 -11.283 3.414 18.220 145 HG22 ILE 19 HG22 ILE 19 -11.021 4.585 16.930 146 HG23 ILE 19 HG23 ILE 19 -11.214 5.137 18.592 147 HD11 ILE 19 HD11 ILE 19 -8.374 6.374 15.639 148 HD12 ILE 19 HD12 ILE 19 -9.761 5.296 15.768 149 HD13 ILE 19 HD13 ILE 19 -8.133 4.628 15.665 150 H ALA 20 HN ALA 20 -8.559 1.700 19.604 151 HA ALA 20 HA ALA 20 -11.042 0.618 20.262 152 HB1 ALA 20 HB1 ALA 20 -8.400 -0.615 21.051 153 HB2 ALA 20 HB2 ALA 20 -8.980 -0.592 19.385 154 HB3 ALA 20 HB3 ALA 20 -9.900 -1.439 20.628 155 HN1 NH2 21 H2 NH2 21 -9.501 1.765 23.836 156 HN2 NH2 21 H1 NH2 21 -8.691 2.117 22.387 Start of MODEL 33 1 H1 ACE 0 HA2 ACE 0 5.606 -2.449 -0.997 2 H2 ACE 0 HA3 ACE 0 4.427 -3.186 -2.082 3 H3 ACE 0 HA1 ACE 0 6.070 -2.879 -2.644 4 H LEU 1 HN LEU 1 6.962 -3.746 0.173 5 HA LEU 1 HA LEU 1 7.668 -6.402 -0.477 6 HB2 LEU 1 HB2 LEU 1 7.655 -4.922 2.160 7 HB3 LEU 1 HB1 LEU 1 8.343 -6.529 1.952 8 HG LEU 1 HG LEU 1 9.180 -4.148 0.275 9 HD11 LEU 1 HD11 LEU 1 9.698 -3.603 2.574 10 HD12 LEU 1 HD12 LEU 1 11.195 -4.100 1.785 11 HD13 LEU 1 HD13 LEU 1 10.351 -5.216 2.858 12 HD21 LEU 1 HD21 LEU 1 9.909 -6.093 -0.839 13 HD22 LEU 1 HD22 LEU 1 10.193 -6.970 0.663 14 HD23 LEU 1 HD23 LEU 1 11.302 -5.697 0.162 15 H GLY 2 HN GLY 2 5.132 -5.065 1.605 16 HA2 GLY 2 HA2 GLY 2 3.461 -7.366 1.215 17 HA3 GLY 2 HA1 GLY 2 4.142 -7.306 2.838 18 H LEU 3 HN LEU 3 2.600 -5.075 0.509 19 HA LEU 3 HA LEU 3 1.099 -3.352 0.832 20 HB2 LEU 3 HB2 LEU 3 0.094 -5.363 2.857 21 HB3 LEU 3 HB1 LEU 3 -0.800 -3.929 2.362 22 HG LEU 3 HG LEU 3 0.173 -6.062 0.436 23 HD11 LEU 3 HD11 LEU 3 -2.332 -6.632 0.383 24 HD12 LEU 3 HD12 LEU 3 -2.456 -5.718 1.886 25 HD13 LEU 3 HD13 LEU 3 -1.432 -7.152 1.808 26 HD21 LEU 3 HD21 LEU 3 -0.215 -4.163 -0.878 27 HD22 LEU 3 HD22 LEU 3 -1.484 -3.552 0.183 28 HD23 LEU 3 HD23 LEU 3 -1.810 -4.906 -0.895 29 H LEU 4 HN LEU 4 3.510 -3.852 2.874 30 HA LEU 4 HA LEU 4 2.765 -2.539 5.262 31 HB2 LEU 4 HB2 LEU 4 4.829 -3.853 5.082 32 HB3 LEU 4 HB1 LEU 4 5.470 -2.709 3.905 33 HG LEU 4 HG LEU 4 5.446 -0.922 5.587 34 HD11 LEU 4 HD11 LEU 4 4.074 -3.040 7.234 35 HD12 LEU 4 HD12 LEU 4 3.658 -1.338 7.040 36 HD13 LEU 4 HD13 LEU 4 5.034 -1.798 8.038 37 HD21 LEU 4 HD21 LEU 4 7.202 -1.825 7.059 38 HD22 LEU 4 HD22 LEU 4 7.427 -2.398 5.405 39 HD23 LEU 4 HD23 LEU 4 6.733 -3.469 6.622 40 H SER 5 HN SER 5 4.157 -1.371 2.224 41 HA SER 5 HA SER 5 4.312 1.368 3.035 42 HB2 SER 5 HB2 SER 5 4.693 1.790 0.620 43 HB3 SER 5 HB1 SER 5 5.737 0.520 1.252 44 HG SER 5 HG SER 5 4.881 -0.322 -0.571 45 H TYR 6 HN TYR 6 1.782 -0.669 1.932 46 HA TYR 6 HA TYR 6 0.112 1.166 0.610 47 HB2 TYR 6 HB2 TYR 6 -0.172 -1.364 0.778 48 HB3 TYR 6 HB1 TYR 6 -0.856 -1.082 2.378 49 HD1 TYR 6 HD1 TYR 6 -2.968 0.173 2.650 50 HD2 TYR 6 HD2 TYR 6 -1.361 -0.746 -1.225 51 HE1 TYR 6 HE1 TYR 6 -5.158 0.709 1.615 52 HE2 TYR 6 HE2 TYR 6 -3.546 -0.206 -2.261 53 HH TYR 6 HH TYR 6 -5.676 1.490 -1.282 54 H GLY 7 HN GLY 7 0.331 0.269 4.042 55 HA2 GLY 7 HA2 GLY 7 -1.767 1.915 4.971 56 HA3 GLY 7 HA1 GLY 7 -0.433 1.305 5.948 57 H ALA 8 HN ALA 8 1.673 2.512 4.429 58 HA ALA 8 HA ALA 8 2.937 4.433 4.514 59 HB1 ALA 8 HB1 ALA 8 0.354 5.868 3.898 60 HB2 ALA 8 HB2 ALA 8 1.224 4.922 2.690 61 HB3 ALA 8 HB3 ALA 8 1.992 6.326 3.432 62 H GLY 9 HN GLY 9 1.066 3.614 6.895 63 HA2 GLY 9 HA2 GLY 9 2.032 5.053 8.932 64 HA3 GLY 9 HA1 GLY 9 0.802 6.150 8.311 65 H VAL 10 HN VAL 10 -0.939 3.925 7.462 66 HA VAL 10 HA VAL 10 -2.503 3.686 9.805 67 HB VAL 10 HB VAL 10 -2.587 2.152 7.199 68 HG11 VAL 10 HG11 VAL 10 -4.982 1.690 7.985 69 HG12 VAL 10 HG12 VAL 10 -4.435 2.169 9.593 70 HG13 VAL 10 HG13 VAL 10 -3.708 0.776 8.791 71 HG21 VAL 10 HG21 VAL 10 -4.517 3.663 6.766 72 HG22 VAL 10 HG22 VAL 10 -3.015 4.560 6.989 73 HG23 VAL 10 HG23 VAL 10 -4.196 4.480 8.296 74 H ALA 11 HN ALA 11 -0.344 1.395 8.154 75 HA ALA 11 HA ALA 11 0.565 -0.605 8.832 76 HB1 ALA 11 HB1 ALA 11 1.355 -0.674 11.154 77 HB2 ALA 11 HB2 ALA 11 0.328 0.703 11.553 78 HB3 ALA 11 HB3 ALA 11 1.675 0.903 10.434 79 H SER 12 HN SER 12 -2.246 -0.607 8.500 80 HA SER 12 HA SER 12 -4.025 -2.003 8.856 81 HB2 SER 12 HB2 SER 12 -2.078 -3.687 9.046 82 HB3 SER 12 HB1 SER 12 -2.348 -3.599 10.783 83 HG SER 12 HG SER 12 -3.895 -4.709 8.774 84 H LEU 13 HN LEU 13 -2.970 0.146 10.917 85 HA LEU 13 HA LEU 13 -3.797 1.131 12.817 86 HB2 LEU 13 HB2 LEU 13 -5.944 0.691 11.463 87 HB3 LEU 13 HB1 LEU 13 -6.190 -0.682 12.538 88 HG LEU 13 HG LEU 13 -5.774 1.132 14.443 89 HD11 LEU 13 HD11 LEU 13 -6.409 3.358 13.887 90 HD12 LEU 13 HD12 LEU 13 -7.002 2.877 12.297 91 HD13 LEU 13 HD13 LEU 13 -5.273 2.890 12.623 92 HD21 LEU 13 HD21 LEU 13 -8.373 1.073 12.872 93 HD22 LEU 13 HD22 LEU 13 -8.186 1.500 14.573 94 HD23 LEU 13 HD23 LEU 13 -7.887 -0.154 14.040 95 HA PRO 14 HA PRO 14 -2.875 -2.504 15.495 96 HB2 PRO 14 HB2 PRO 14 -0.210 -2.166 15.873 97 HB3 PRO 14 HB1 PRO 14 -0.862 -2.954 14.423 98 HG2 PRO 14 HG2 PRO 14 0.364 -0.284 14.704 99 HG3 PRO 14 HG1 PRO 14 0.191 -1.298 13.265 100 HD2 PRO 14 HD2 PRO 14 -1.493 0.931 14.084 101 HD3 PRO 14 HD1 PRO 14 -1.616 -0.050 12.610 102 H LEU 15 HN LEU 15 -0.632 0.178 16.125 103 HA LEU 15 HA LEU 15 -1.092 0.248 18.906 104 HB2 LEU 15 HB2 LEU 15 0.124 2.251 16.999 105 HB3 LEU 15 HB1 LEU 15 0.099 2.484 18.744 106 HG LEU 15 HG LEU 15 1.250 -0.003 17.446 107 HD11 LEU 15 HD11 LEU 15 3.484 1.152 17.941 108 HD12 LEU 15 HD12 LEU 15 2.560 2.647 18.091 109 HD13 LEU 15 HD13 LEU 15 2.577 1.768 16.561 110 HD21 LEU 15 HD21 LEU 15 2.587 0.118 19.695 111 HD22 LEU 15 HD22 LEU 15 0.920 -0.438 19.749 112 HD23 LEU 15 HD23 LEU 15 1.311 1.216 20.217 113 H LEU 16 HN LEU 16 -2.406 2.144 16.233 114 HA LEU 16 HA LEU 16 -3.805 4.052 17.761 115 HB2 LEU 16 HB2 LEU 16 -4.351 2.910 15.015 116 HB3 LEU 16 HB1 LEU 16 -5.225 4.280 15.693 117 HG LEU 16 HG LEU 16 -2.208 4.193 15.407 118 HD11 LEU 16 HD11 LEU 16 -3.325 4.050 13.206 119 HD12 LEU 16 HD12 LEU 16 -2.514 5.601 13.419 120 HD13 LEU 16 HD13 LEU 16 -4.265 5.490 13.596 121 HD21 LEU 16 HD21 LEU 16 -2.643 5.879 16.970 122 HD22 LEU 16 HD22 LEU 16 -4.218 6.267 16.279 123 HD23 LEU 16 HD23 LEU 16 -2.745 6.794 15.468 124 H ASN 17 HN ASN 17 -4.713 0.853 16.566 125 HA ASN 17 HA ASN 17 -7.424 0.910 17.333 126 HB2 ASN 17 HB2 ASN 17 -6.559 -0.815 15.846 127 HB3 ASN 17 HB1 ASN 17 -5.514 -1.428 17.124 128 HD21 ASN 17 HD21 ASN 17 -9.003 -0.848 16.426 129 HD22 ASN 17 HD22 ASN 17 -9.552 -2.160 17.353 130 H VAL 18 HN VAL 18 -4.498 -0.058 19.085 131 HA VAL 18 HA VAL 18 -5.788 -1.036 21.406 132 HB VAL 18 HB VAL 18 -3.035 0.160 21.010 133 HG11 VAL 18 HG11 VAL 18 -3.518 0.380 23.343 134 HG12 VAL 18 HG12 VAL 18 -2.565 -1.095 23.185 135 HG13 VAL 18 HG13 VAL 18 -4.313 -1.193 23.396 136 HG21 VAL 18 HG21 VAL 18 -3.842 -2.726 21.427 137 HG22 VAL 18 HG22 VAL 18 -2.291 -2.105 20.861 138 HG23 VAL 18 HG23 VAL 18 -3.713 -2.006 19.822 139 H ILE 19 HN ILE 19 -4.476 2.158 20.573 140 HA ILE 19 HA ILE 19 -5.120 3.431 23.020 141 HB ILE 19 HB ILE 19 -4.743 4.529 20.222 142 HG12 ILE 19 HG12 ILE 19 -2.921 4.645 22.639 143 HG13 ILE 19 HG11 ILE 19 -2.813 3.381 21.413 144 HG21 ILE 19 HG21 ILE 19 -5.111 5.916 22.888 145 HG22 ILE 19 HG22 ILE 19 -6.030 6.168 21.404 146 HG23 ILE 19 HG23 ILE 19 -4.353 6.703 21.504 147 HD11 ILE 19 HD11 ILE 19 -2.497 6.362 20.961 148 HD12 ILE 19 HD12 ILE 19 -2.529 5.157 19.674 149 HD13 ILE 19 HD13 ILE 19 -1.226 5.143 20.862 150 H ALA 20 HN ALA 20 -6.835 3.108 19.940 151 HA ALA 20 HA ALA 20 -9.083 4.691 20.663 152 HB1 ALA 20 HB1 ALA 20 -9.080 2.415 18.677 153 HB2 ALA 20 HB2 ALA 20 -8.389 3.997 18.316 154 HB3 ALA 20 HB3 ALA 20 -10.108 3.848 18.681 155 HN1 NH2 21 H2 NH2 21 -9.829 0.846 21.873 156 HN2 NH2 21 H1 NH2 21 -8.471 1.164 20.904 Start of MODEL 34 1 H1 ACE 0 HA2 ACE 0 0.789 -3.509 -3.021 2 H2 ACE 0 HA3 ACE 0 0.876 -3.059 -1.317 3 H3 ACE 0 HA1 ACE 0 -0.554 -3.883 -1.939 4 H LEU 1 HN LEU 1 2.423 -4.951 -3.230 5 HA LEU 1 HA LEU 1 2.157 -7.517 -1.853 6 HB2 LEU 1 HB2 LEU 1 3.922 -6.599 -4.126 7 HB3 LEU 1 HB1 LEU 1 3.921 -8.234 -3.473 8 HG LEU 1 HG LEU 1 1.458 -6.846 -4.566 9 HD11 LEU 1 HD11 LEU 1 3.266 -7.245 -6.281 10 HD12 LEU 1 HD12 LEU 1 1.767 -8.116 -6.598 11 HD13 LEU 1 HD13 LEU 1 3.151 -8.968 -5.916 12 HD21 LEU 1 HD21 LEU 1 0.622 -8.559 -3.225 13 HD22 LEU 1 HD22 LEU 1 2.040 -9.582 -3.449 14 HD23 LEU 1 HD23 LEU 1 0.843 -9.436 -4.736 15 H GLY 2 HN GLY 2 3.652 -4.673 -1.163 16 HA2 GLY 2 HA2 GLY 2 5.453 -5.929 0.717 17 HA3 GLY 2 HA1 GLY 2 6.276 -5.067 -0.577 18 H LEU 3 HN LEU 3 4.220 -3.004 -0.823 19 HA LEU 3 HA LEU 3 5.098 -1.315 1.386 20 HB2 LEU 3 HB2 LEU 3 3.490 -0.713 -1.102 21 HB3 LEU 3 HB1 LEU 3 3.959 0.493 0.094 22 HG LEU 3 HG LEU 3 5.915 -1.270 -1.414 23 HD11 LEU 3 HD11 LEU 3 5.014 1.585 -1.887 24 HD12 LEU 3 HD12 LEU 3 4.853 0.220 -2.991 25 HD13 LEU 3 HD13 LEU 3 6.449 0.877 -2.628 26 HD21 LEU 3 HD21 LEU 3 6.177 0.896 0.667 27 HD22 LEU 3 HD22 LEU 3 7.422 0.771 -0.575 28 HD23 LEU 3 HD23 LEU 3 7.097 -0.598 0.482 29 H LEU 4 HN LEU 4 2.535 -3.378 0.831 30 HA LEU 4 HA LEU 4 0.340 -1.911 1.818 31 HB2 LEU 4 HB2 LEU 4 0.097 -4.065 0.654 32 HB3 LEU 4 HB1 LEU 4 0.885 -4.885 1.998 33 HG LEU 4 HG LEU 4 -0.935 -4.162 3.510 34 HD11 LEU 4 HD11 LEU 4 -3.045 -3.282 2.178 35 HD12 LEU 4 HD12 LEU 4 -1.835 -2.715 1.026 36 HD13 LEU 4 HD13 LEU 4 -1.799 -2.150 2.696 37 HD21 LEU 4 HD21 LEU 4 -2.679 -5.615 2.580 38 HD22 LEU 4 HD22 LEU 4 -1.088 -6.311 2.267 39 HD23 LEU 4 HD23 LEU 4 -1.958 -5.484 0.975 40 H SER 5 HN SER 5 2.759 -3.928 3.447 41 HA SER 5 HA SER 5 1.612 -3.404 6.071 42 HB2 SER 5 HB2 SER 5 3.953 -4.999 5.056 43 HB3 SER 5 HB1 SER 5 3.757 -4.678 6.778 44 HG SER 5 HG SER 5 1.589 -5.629 5.264 45 H TYR 6 HN TYR 6 3.849 -1.925 3.966 46 HA TYR 6 HA TYR 6 5.688 -0.805 5.779 47 HB2 TYR 6 HB2 TYR 6 6.111 -0.776 3.402 48 HB3 TYR 6 HB1 TYR 6 4.682 0.220 3.117 49 HD1 TYR 6 HD2 TYR 6 7.945 0.172 4.942 50 HD2 TYR 6 HD1 TYR 6 4.842 2.574 3.197 51 HE1 TYR 6 HE2 TYR 6 9.307 2.207 5.323 52 HE2 TYR 6 HE1 TYR 6 6.205 4.609 3.575 53 HH TYR 6 HH TYR 6 9.466 4.399 4.999 54 H GLY 7 HN GLY 7 2.596 0.467 4.533 55 HA2 GLY 7 HA2 GLY 7 1.626 1.656 6.769 56 HA3 GLY 7 HA1 GLY 7 2.778 2.847 6.174 57 H ALA 8 HN ALA 8 0.611 0.672 4.377 58 HA ALA 8 HA ALA 8 -0.415 2.983 2.870 59 HB1 ALA 8 HB1 ALA 8 -0.833 0.022 2.404 60 HB2 ALA 8 HB2 ALA 8 0.421 0.995 1.635 61 HB3 ALA 8 HB3 ALA 8 -1.280 1.330 1.308 62 H GLY 9 HN GLY 9 -1.198 2.279 5.694 63 HA2 GLY 9 HA2 GLY 9 -3.832 3.039 5.727 64 HA3 GLY 9 HA1 GLY 9 -3.892 1.282 5.588 65 H VAL 10 HN VAL 10 -1.557 0.688 7.041 66 HA VAL 10 HA VAL 10 -2.553 0.672 9.696 67 HB VAL 10 HB VAL 10 0.223 0.110 8.617 68 HG11 VAL 10 HG11 VAL 10 0.465 0.603 10.946 69 HG12 VAL 10 HG12 VAL 10 0.416 -1.156 10.827 70 HG13 VAL 10 HG13 VAL 10 -1.014 -0.267 11.352 71 HG21 VAL 10 HG21 VAL 10 -0.472 -2.245 8.871 72 HG22 VAL 10 HG22 VAL 10 -1.563 -1.390 7.780 73 HG23 VAL 10 HG23 VAL 10 -2.057 -1.721 9.441 74 H ALA 11 HN ALA 11 -0.080 2.564 8.018 75 HA ALA 11 HA ALA 11 0.722 4.682 8.439 76 HB1 ALA 11 HB1 ALA 11 -0.893 4.910 10.963 77 HB2 ALA 11 HB2 ALA 11 -1.719 4.941 9.408 78 HB3 ALA 11 HB3 ALA 11 -0.489 6.150 9.776 79 H SER 12 HN SER 12 0.073 3.216 11.592 80 HA SER 12 HA SER 12 2.691 2.408 12.194 81 HB2 SER 12 HB2 SER 12 3.350 4.734 12.206 82 HB3 SER 12 HB1 SER 12 1.965 5.173 13.198 83 HG SER 12 HG SER 12 3.100 4.643 14.873 84 H LEU 13 HN LEU 13 0.051 1.501 12.476 85 HA LEU 13 HA LEU 13 -1.464 0.654 13.978 86 HB2 LEU 13 HB2 LEU 13 0.703 -0.632 14.390 87 HB3 LEU 13 HB1 LEU 13 0.938 0.415 15.787 88 HG LEU 13 HG LEU 13 -1.551 -0.329 16.375 89 HD11 LEU 13 HD11 LEU 13 -0.555 -2.748 14.843 90 HD12 LEU 13 HD12 LEU 13 -1.737 -1.618 14.187 91 HD13 LEU 13 HD13 LEU 13 -2.117 -2.549 15.632 92 HD21 LEU 13 HD21 LEU 13 0.803 -2.214 16.726 93 HD22 LEU 13 HD22 LEU 13 -0.643 -2.156 17.732 94 HD23 LEU 13 HD23 LEU 13 0.484 -0.801 17.730 95 HA PRO 14 HA PRO 14 -1.514 4.294 16.882 96 HB2 PRO 14 HB2 PRO 14 -2.656 6.287 15.502 97 HB3 PRO 14 HB1 PRO 14 -0.944 5.884 15.260 98 HG2 PRO 14 HG2 PRO 14 -3.275 5.325 13.504 99 HG3 PRO 14 HG1 PRO 14 -1.582 5.621 13.074 100 HD2 PRO 14 HD2 PRO 14 -2.875 3.060 13.346 101 HD3 PRO 14 HD1 PRO 14 -1.162 3.378 13.026 102 H LEU 15 HN LEU 15 -4.105 4.041 14.447 103 HA LEU 15 HA LEU 15 -6.251 4.526 16.214 104 HB2 LEU 15 HB2 LEU 15 -6.038 3.293 13.471 105 HB3 LEU 15 HB1 LEU 15 -7.586 3.393 14.308 106 HG LEU 15 HG LEU 15 -5.772 5.771 13.800 107 HD11 LEU 15 HD11 LEU 15 -6.577 4.838 11.679 108 HD12 LEU 15 HD12 LEU 15 -7.391 6.365 12.019 109 HD13 LEU 15 HD13 LEU 15 -8.232 4.837 12.288 110 HD21 LEU 15 HD21 LEU 15 -8.445 5.389 15.122 111 HD22 LEU 15 HD22 LEU 15 -8.224 6.843 14.150 112 HD23 LEU 15 HD23 LEU 15 -7.151 6.522 15.506 113 H LEU 16 HN LEU 16 -4.721 1.559 15.058 114 HA LEU 16 HA LEU 16 -6.551 -0.270 16.179 115 HB2 LEU 16 HB2 LEU 16 -3.658 -0.434 15.361 116 HB3 LEU 16 HB1 LEU 16 -4.434 -1.805 16.147 117 HG LEU 16 HG LEU 16 -4.504 -1.880 13.628 118 HD11 LEU 16 HD11 LEU 16 -6.569 -2.906 13.590 119 HD12 LEU 16 HD12 LEU 16 -7.364 -1.623 14.497 120 HD13 LEU 16 HD13 LEU 16 -6.354 -2.802 15.335 121 HD21 LEU 16 HD21 LEU 16 -6.507 0.376 13.889 122 HD22 LEU 16 HD22 LEU 16 -5.868 -0.333 12.407 123 HD23 LEU 16 HD23 LEU 16 -4.821 0.639 13.441 124 H ASN 17 HN ASN 17 -3.648 1.284 17.469 125 HA ASN 17 HA ASN 17 -3.515 -0.134 19.903 126 HB2 ASN 17 HB2 ASN 17 -2.527 2.567 19.004 127 HB3 ASN 17 HB1 ASN 17 -2.319 2.042 20.674 128 HD21 ASN 17 HD21 ASN 17 -0.061 2.471 18.972 129 HD22 ASN 17 HD22 ASN 17 0.676 0.970 18.672 130 H VAL 18 HN VAL 18 -5.253 2.811 18.971 131 HA VAL 18 HA VAL 18 -6.192 3.503 21.544 132 HB VAL 18 HB VAL 18 -7.350 4.016 18.793 133 HG11 VAL 18 HG11 VAL 18 -9.182 4.232 20.315 134 HG12 VAL 18 HG12 VAL 18 -8.586 5.870 20.046 135 HG13 VAL 18 HG13 VAL 18 -8.170 5.013 21.530 136 HG21 VAL 18 HG21 VAL 18 -5.101 4.996 19.370 137 HG22 VAL 18 HG22 VAL 18 -5.872 5.838 20.714 138 HG23 VAL 18 HG23 VAL 18 -6.345 6.207 19.055 139 H ILE 19 HN ILE 19 -7.607 1.525 18.955 140 HA ILE 19 HA ILE 19 -10.010 0.880 20.309 141 HB ILE 19 HB ILE 19 -8.486 -0.565 18.126 142 HG12 ILE 19 HG12 ILE 19 -11.035 1.067 17.995 143 HG13 ILE 19 HG11 ILE 19 -9.437 1.753 17.700 144 HG21 ILE 19 HG21 ILE 19 -11.190 -1.089 19.376 145 HG22 ILE 19 HG22 ILE 19 -9.863 -2.226 19.144 146 HG23 ILE 19 HG23 ILE 19 -10.781 -1.649 17.755 147 HD11 ILE 19 HD11 ILE 19 -10.535 1.078 15.583 148 HD12 ILE 19 HD12 ILE 19 -10.643 -0.579 16.180 149 HD13 ILE 19 HD13 ILE 19 -9.066 0.147 15.875 150 H ALA 20 HN ALA 20 -6.860 -0.713 20.084 151 HA ALA 20 HA ALA 20 -7.468 -3.048 21.521 152 HB1 ALA 20 HB1 ALA 20 -4.828 -1.565 21.472 153 HB2 ALA 20 HB2 ALA 20 -5.378 -2.678 20.219 154 HB3 ALA 20 HB3 ALA 20 -5.071 -3.270 21.851 155 HN1 NH2 21 H2 NH2 21 -6.837 -0.163 24.346 156 HN2 NH2 21 H1 NH2 21 -6.620 0.203 22.703 Start of MODEL 35 1 H1 ACE 0 HA2 ACE 0 4.675 -8.768 3.612 2 H2 ACE 0 HA3 ACE 0 6.085 -9.560 2.906 3 H3 ACE 0 HA1 ACE 0 4.576 -10.453 3.096 4 H LEU 1 HN LEU 1 2.817 -8.407 2.228 5 HA LEU 1 HA LEU 1 2.843 -8.817 -0.566 6 HB2 LEU 1 HB2 LEU 1 1.348 -6.824 1.148 7 HB3 LEU 1 HB1 LEU 1 1.052 -7.046 -0.574 8 HG LEU 1 HG LEU 1 0.892 -9.283 1.466 9 HD11 LEU 1 HD11 LEU 1 -0.805 -7.447 1.815 10 HD12 LEU 1 HD12 LEU 1 -1.508 -9.018 1.434 11 HD13 LEU 1 HD13 LEU 1 -1.405 -7.773 0.190 12 HD21 LEU 1 HD21 LEU 1 -0.607 -10.170 -0.553 13 HD22 LEU 1 HD22 LEU 1 1.139 -10.367 -0.585 14 HD23 LEU 1 HD23 LEU 1 0.384 -9.059 -1.496 15 H GLY 2 HN GLY 2 3.896 -6.146 1.478 16 HA2 GLY 2 HA2 GLY 2 5.733 -4.733 0.917 17 HA3 GLY 2 HA1 GLY 2 5.420 -5.030 -0.789 18 H LEU 3 HN LEU 3 2.513 -4.636 0.657 19 HA LEU 3 HA LEU 3 2.228 -1.905 -0.359 20 HB2 LEU 3 HB2 LEU 3 0.181 -3.814 0.801 21 HB3 LEU 3 HB1 LEU 3 -0.174 -2.270 0.028 22 HG LEU 3 HG LEU 3 1.238 -4.592 -1.321 23 HD11 LEU 3 HD11 LEU 3 -1.605 -3.583 -1.648 24 HD12 LEU 3 HD12 LEU 3 -1.148 -5.056 -0.792 25 HD13 LEU 3 HD13 LEU 3 -0.868 -4.922 -2.529 26 HD21 LEU 3 HD21 LEU 3 0.461 -3.115 -3.375 27 HD22 LEU 3 HD22 LEU 3 1.933 -2.692 -2.508 28 HD23 LEU 3 HD23 LEU 3 0.438 -1.813 -2.184 29 H LEU 4 HN LEU 4 2.915 -3.436 2.568 30 HA LEU 4 HA LEU 4 1.547 -1.798 4.421 31 HB2 LEU 4 HB2 LEU 4 4.067 -3.445 4.566 32 HB3 LEU 4 HB1 LEU 4 3.519 -2.498 5.946 33 HG LEU 4 HG LEU 4 1.766 -4.509 4.503 34 HD11 LEU 4 HD11 LEU 4 2.254 -5.922 6.581 35 HD12 LEU 4 HD12 LEU 4 3.609 -4.833 6.877 36 HD13 LEU 4 HD13 LEU 4 3.558 -5.794 5.399 37 HD21 LEU 4 HD21 LEU 4 0.282 -3.197 5.733 38 HD22 LEU 4 HD22 LEU 4 1.478 -2.792 6.961 39 HD23 LEU 4 HD23 LEU 4 0.715 -4.381 6.959 40 H SER 5 HN SER 5 4.687 -1.493 2.831 41 HA SER 5 HA SER 5 5.622 0.747 4.244 42 HB2 SER 5 HB2 SER 5 7.064 -0.631 2.805 43 HB3 SER 5 HB1 SER 5 6.193 -0.063 1.384 44 HG SER 5 HG SER 5 7.162 1.875 3.121 45 H TYR 6 HN TYR 6 3.648 0.494 1.320 46 HA TYR 6 HA TYR 6 3.608 3.214 0.627 47 HB2 TYR 6 HB2 TYR 6 1.696 0.927 0.177 48 HB3 TYR 6 HB1 TYR 6 1.298 2.554 -0.375 49 HD1 TYR 6 HD2 TYR 6 3.937 -0.086 -0.564 50 HD2 TYR 6 HD1 TYR 6 2.215 3.403 -2.382 51 HE1 TYR 6 HE2 TYR 6 5.381 -0.410 -2.555 52 HE2 TYR 6 HE1 TYR 6 3.659 3.082 -4.373 53 HH TYR 6 HH TYR 6 5.566 0.195 -4.810 54 H GLY 7 HN GLY 7 2.683 1.925 3.498 55 HA2 GLY 7 HA2 GLY 7 1.693 3.006 5.304 56 HA3 GLY 7 HA1 GLY 7 1.169 4.290 4.218 57 H ALA 8 HN ALA 8 0.574 0.846 3.739 58 HA ALA 8 HA ALA 8 -2.173 1.202 3.189 59 HB1 ALA 8 HB1 ALA 8 -2.332 -1.256 3.390 60 HB2 ALA 8 HB2 ALA 8 -0.716 -1.297 4.093 61 HB3 ALA 8 HB3 ALA 8 -0.939 -0.775 2.422 62 H GLY 9 HN GLY 9 -0.427 0.405 6.134 63 HA2 GLY 9 HA2 GLY 9 -2.915 0.780 7.705 64 HA3 GLY 9 HA1 GLY 9 -1.719 -0.451 8.109 65 H VAL 10 HN VAL 10 0.445 1.422 7.196 66 HA VAL 10 HA VAL 10 1.888 2.940 8.098 67 HB VAL 10 HB VAL 10 -0.447 4.126 9.583 68 HG11 VAL 10 HG11 VAL 10 2.040 5.285 8.281 69 HG12 VAL 10 HG12 VAL 10 1.773 5.098 10.012 70 HG13 VAL 10 HG13 VAL 10 0.789 6.229 9.087 71 HG21 VAL 10 HG21 VAL 10 -0.703 5.517 7.423 72 HG22 VAL 10 HG22 VAL 10 -1.341 3.876 7.393 73 HG23 VAL 10 HG23 VAL 10 0.210 4.230 6.635 74 H ALA 11 HN ALA 11 0.133 0.756 9.917 75 HA ALA 11 HA ALA 11 0.308 -0.071 12.069 76 HB1 ALA 11 HB1 ALA 11 2.658 -0.386 12.812 77 HB2 ALA 11 HB2 ALA 11 3.190 0.664 11.498 78 HB3 ALA 11 HB3 ALA 11 2.411 -0.877 11.135 79 H SER 12 HN SER 12 0.134 2.984 11.582 80 HA SER 12 HA SER 12 0.784 3.789 14.366 81 HB2 SER 12 HB2 SER 12 2.239 4.769 12.452 82 HB3 SER 12 HB1 SER 12 0.810 5.714 12.048 83 HG SER 12 HG SER 12 0.814 6.419 14.259 84 H LEU 13 HN LEU 13 -1.678 2.680 13.521 85 HA LEU 13 HA LEU 13 -3.464 4.632 14.501 86 HB2 LEU 13 HB2 LEU 13 -2.934 4.981 11.783 87 HB3 LEU 13 HB1 LEU 13 -4.437 4.068 11.770 88 HG LEU 13 HG LEU 13 -5.265 5.785 13.539 89 HD11 LEU 13 HD11 LEU 13 -4.178 8.055 13.160 90 HD12 LEU 13 HD12 LEU 13 -2.836 7.200 12.404 91 HD13 LEU 13 HD13 LEU 13 -3.223 6.911 14.100 92 HD21 LEU 13 HD21 LEU 13 -4.767 6.485 10.632 93 HD22 LEU 13 HD22 LEU 13 -5.821 7.428 11.686 94 HD23 LEU 13 HD23 LEU 13 -6.211 5.748 11.324 95 HA PRO 14 HA PRO 14 -5.827 0.612 13.154 96 HB2 PRO 14 HB2 PRO 14 -3.573 -1.253 12.583 97 HB3 PRO 14 HB1 PRO 14 -5.078 -0.997 11.678 98 HG2 PRO 14 HG2 PRO 14 -2.742 -0.129 10.735 99 HG3 PRO 14 HG1 PRO 14 -4.225 0.822 10.523 100 HD2 PRO 14 HD2 PRO 14 -2.017 1.210 12.531 101 HD3 PRO 14 HD1 PRO 14 -2.861 2.428 11.548 102 H LEU 15 HN LEU 15 -2.610 -0.351 14.388 103 HA LEU 15 HA LEU 15 -3.594 -2.060 16.414 104 HB2 LEU 15 HB2 LEU 15 -0.948 -0.643 16.071 105 HB3 LEU 15 HB1 LEU 15 -1.257 -1.805 17.357 106 HG LEU 15 HG LEU 15 -1.666 -2.445 14.421 107 HD11 LEU 15 HD11 LEU 15 0.775 -2.747 16.180 108 HD12 LEU 15 HD12 LEU 15 0.657 -1.951 14.610 109 HD13 LEU 15 HD13 LEU 15 0.539 -3.706 14.720 110 HD21 LEU 15 HD21 LEU 15 -1.232 -4.819 15.476 111 HD22 LEU 15 HD22 LEU 15 -2.817 -4.082 15.661 112 HD23 LEU 15 HD23 LEU 15 -1.664 -4.034 16.994 113 H LEU 16 HN LEU 16 -2.572 1.327 16.452 114 HA LEU 16 HA LEU 16 -2.799 1.751 19.230 115 HB2 LEU 16 HB2 LEU 16 -3.038 3.634 16.880 116 HB3 LEU 16 HB1 LEU 16 -3.012 4.175 18.555 117 HG LEU 16 HG LEU 16 -0.843 2.438 17.348 118 HD11 LEU 16 HD11 LEU 16 0.468 4.589 17.238 119 HD12 LEU 16 HD12 LEU 16 -1.037 5.453 17.553 120 HD13 LEU 16 HD13 LEU 16 -0.863 4.488 16.088 121 HD21 LEU 16 HD21 LEU 16 -1.208 3.931 19.948 122 HD22 LEU 16 HD22 LEU 16 0.417 3.669 19.316 123 HD23 LEU 16 HD23 LEU 16 -0.614 2.292 19.681 124 H ASN 17 HN ASN 17 -5.120 2.087 16.593 125 HA ASN 17 HA ASN 17 -7.207 3.272 18.057 126 HB2 ASN 17 HB2 ASN 17 -7.233 3.174 15.619 127 HB3 ASN 17 HB1 ASN 17 -7.349 1.416 15.672 128 HD21 ASN 17 HD21 ASN 17 -9.155 4.406 16.051 129 HD22 ASN 17 HD22 ASN 17 -10.675 3.677 16.265 130 H VAL 18 HN VAL 18 -6.328 -0.125 17.574 131 HA VAL 18 HA VAL 18 -8.612 -1.277 18.758 132 HB VAL 18 HB VAL 18 -5.761 -2.278 18.560 133 HG11 VAL 18 HG11 VAL 18 -6.738 -3.521 20.345 134 HG12 VAL 18 HG12 VAL 18 -6.928 -4.537 18.916 135 HG13 VAL 18 HG13 VAL 18 -8.298 -3.610 19.527 136 HG21 VAL 18 HG21 VAL 18 -7.161 -1.834 16.459 137 HG22 VAL 18 HG22 VAL 18 -8.221 -3.130 17.016 138 HG23 VAL 18 HG23 VAL 18 -6.532 -3.472 16.638 139 H ILE 19 HN ILE 19 -5.457 -0.369 20.150 140 HA ILE 19 HA ILE 19 -6.086 -1.169 22.805 141 HB ILE 19 HB ILE 19 -4.142 0.970 21.907 142 HG12 ILE 19 HG12 ILE 19 -3.659 -1.119 20.746 143 HG13 ILE 19 HG11 ILE 19 -2.456 -0.870 22.006 144 HG21 ILE 19 HG21 ILE 19 -2.973 0.243 24.040 145 HG22 ILE 19 HG22 ILE 19 -4.445 -0.640 24.449 146 HG23 ILE 19 HG23 ILE 19 -4.489 1.114 24.270 147 HD11 ILE 19 HD11 ILE 19 -4.095 -2.323 23.472 148 HD12 ILE 19 HD12 ILE 19 -3.026 -3.116 22.319 149 HD13 ILE 19 HD13 ILE 19 -4.718 -2.849 21.910 150 H ALA 20 HN ALA 20 -6.320 1.908 21.069 151 HA ALA 20 HA ALA 20 -7.339 3.358 23.331 152 HB1 ALA 20 HB1 ALA 20 -6.128 4.323 21.285 153 HB2 ALA 20 HB2 ALA 20 -7.551 5.196 21.856 154 HB3 ALA 20 HB3 ALA 20 -7.667 4.150 20.439 155 HN1 NH2 21 H2 NH2 21 -10.401 1.537 21.457 156 HN2 NH2 21 H1 NH2 21 -8.783 1.137 21.140 Start of MODEL 36 1 H1 ACE 0 HA2 ACE 0 8.731 -7.339 -2.187 2 H2 ACE 0 HA3 ACE 0 8.257 -7.082 -0.507 3 H3 ACE 0 HA1 ACE 0 8.112 -5.769 -1.673 4 H LEU 1 HN LEU 1 6.281 -7.719 0.061 5 HA LEU 1 HA LEU 1 4.490 -8.948 -1.745 6 HB2 LEU 1 HB2 LEU 1 4.092 -7.920 1.071 7 HB3 LEU 1 HB1 LEU 1 2.887 -8.857 0.194 8 HG LEU 1 HG LEU 1 5.723 -9.816 0.663 9 HD11 LEU 1 HD11 LEU 1 3.206 -10.187 2.294 10 HD12 LEU 1 HD12 LEU 1 4.789 -9.634 2.840 11 HD13 LEU 1 HD13 LEU 1 4.553 -11.322 2.386 12 HD21 LEU 1 HD21 LEU 1 4.871 -11.123 -1.086 13 HD22 LEU 1 HD22 LEU 1 3.213 -11.029 -0.495 14 HD23 LEU 1 HD23 LEU 1 4.381 -12.071 0.315 15 H GLY 2 HN GLY 2 4.626 -5.735 -0.306 16 HA2 GLY 2 HA2 GLY 2 3.847 -3.784 -1.458 17 HA3 GLY 2 HA1 GLY 2 2.647 -4.775 -2.283 18 H LEU 3 HN LEU 3 2.738 -5.869 0.771 19 HA LEU 3 HA LEU 3 0.332 -4.362 1.541 20 HB2 LEU 3 HB2 LEU 3 1.596 -6.859 2.696 21 HB3 LEU 3 HB1 LEU 3 0.104 -6.126 3.277 22 HG LEU 3 HG LEU 3 0.543 -7.086 0.432 23 HD11 LEU 3 HD11 LEU 3 -1.103 -8.899 1.191 24 HD12 LEU 3 HD12 LEU 3 -0.730 -8.400 2.841 25 HD13 LEU 3 HD13 LEU 3 0.547 -9.036 1.802 26 HD21 LEU 3 HD21 LEU 3 -1.757 -5.820 1.916 27 HD22 LEU 3 HD22 LEU 3 -2.109 -6.996 0.650 28 HD23 LEU 3 HD23 LEU 3 -1.199 -5.538 0.266 29 H LEU 4 HN LEU 4 3.606 -4.121 1.996 30 HA LEU 4 HA LEU 4 3.821 -3.605 4.770 31 HB2 LEU 4 HB2 LEU 4 5.440 -2.816 2.357 32 HB3 LEU 4 HB1 LEU 4 5.842 -2.164 3.942 33 HG LEU 4 HG LEU 4 7.098 -4.271 3.304 34 HD11 LEU 4 HD11 LEU 4 7.178 -5.037 5.489 35 HD12 LEU 4 HD12 LEU 4 5.435 -4.939 5.717 36 HD13 LEU 4 HD13 LEU 4 6.413 -3.471 5.747 37 HD21 LEU 4 HD21 LEU 4 5.016 -5.274 2.203 38 HD22 LEU 4 HD22 LEU 4 4.469 -5.669 3.832 39 HD23 LEU 4 HD23 LEU 4 5.965 -6.366 3.211 40 H SER 5 HN SER 5 3.110 -1.540 1.995 41 HA SER 5 HA SER 5 2.969 0.896 3.487 42 HB2 SER 5 HB2 SER 5 3.406 0.856 1.063 43 HB3 SER 5 HB1 SER 5 1.800 0.192 0.784 44 HG SER 5 HG SER 5 2.223 2.601 2.205 45 H TYR 6 HN TYR 6 1.010 -1.779 3.481 46 HA TYR 6 HA TYR 6 -1.602 -0.768 3.378 47 HB2 TYR 6 HB2 TYR 6 -0.945 -3.192 3.438 48 HB3 TYR 6 HB1 TYR 6 -0.616 -3.005 5.162 49 HD1 TYR 6 HD1 TYR 6 -2.465 -2.380 6.728 50 HD2 TYR 6 HD2 TYR 6 -3.175 -3.341 2.606 51 HE1 TYR 6 HE1 TYR 6 -4.871 -2.724 7.226 52 HE2 TYR 6 HE2 TYR 6 -5.581 -3.684 3.098 53 HH TYR 6 HH TYR 6 -6.927 -2.954 6.286 54 H GLY 7 HN GLY 7 0.577 -1.168 6.179 55 HA2 GLY 7 HA2 GLY 7 -0.883 0.976 7.574 56 HA3 GLY 7 HA1 GLY 7 -0.762 -0.590 8.364 57 H ALA 8 HN ALA 8 2.044 -0.384 6.681 58 HA ALA 8 HA ALA 8 3.553 0.286 9.053 59 HB1 ALA 8 HB1 ALA 8 4.802 -0.128 6.348 60 HB2 ALA 8 HB2 ALA 8 4.094 -1.492 7.210 61 HB3 ALA 8 HB3 ALA 8 5.412 -0.578 7.940 62 H GLY 9 HN GLY 9 2.617 2.520 9.107 63 HA2 GLY 9 HA2 GLY 9 4.236 4.568 8.917 64 HA3 GLY 9 HA1 GLY 9 3.850 4.403 7.206 65 H VAL 10 HN VAL 10 1.110 3.424 7.967 66 HA VAL 10 HA VAL 10 -0.270 5.873 7.737 67 HB VAL 10 HB VAL 10 -1.226 3.131 8.587 68 HG11 VAL 10 HG11 VAL 10 -3.486 4.097 7.884 69 HG12 VAL 10 HG12 VAL 10 -2.726 5.686 7.968 70 HG13 VAL 10 HG13 VAL 10 -2.843 4.687 9.415 71 HG21 VAL 10 HG21 VAL 10 -1.571 4.604 5.960 72 HG22 VAL 10 HG22 VAL 10 -1.934 2.911 6.298 73 HG23 VAL 10 HG23 VAL 10 -0.259 3.463 6.263 74 H ALA 11 HN ALA 11 0.299 3.740 10.524 75 HA ALA 11 HA ALA 11 -0.105 4.050 12.778 76 HB1 ALA 11 HB1 ALA 11 1.915 5.407 12.421 77 HB2 ALA 11 HB2 ALA 11 0.880 6.116 13.663 78 HB3 ALA 11 HB3 ALA 11 0.908 6.804 12.037 79 H SER 12 HN SER 12 -2.405 4.436 11.152 80 HA SER 12 HA SER 12 -3.972 6.149 12.946 81 HB2 SER 12 HB2 SER 12 -3.237 7.416 10.805 82 HB3 SER 12 HB1 SER 12 -4.378 6.373 9.966 83 HG SER 12 HG SER 12 -4.828 8.296 11.979 84 H LEU 13 HN LEU 13 -3.631 3.257 12.483 85 HA LEU 13 HA LEU 13 -6.371 2.541 12.543 86 HB2 LEU 13 HB2 LEU 13 -5.454 2.846 9.957 87 HB3 LEU 13 HB1 LEU 13 -5.204 1.123 10.213 88 HG LEU 13 HG LEU 13 -7.648 1.152 11.158 89 HD11 LEU 13 HD11 LEU 13 -9.058 2.875 10.005 90 HD12 LEU 13 HD12 LEU 13 -7.582 3.692 9.498 91 HD13 LEU 13 HD13 LEU 13 -7.976 3.569 11.212 92 HD21 LEU 13 HD21 LEU 13 -6.988 1.481 8.217 93 HD22 LEU 13 HD22 LEU 13 -8.538 0.894 8.819 94 HD23 LEU 13 HD23 LEU 13 -7.067 -0.029 9.124 95 HA PRO 14 HA PRO 14 -3.585 -1.351 12.949 96 HB2 PRO 14 HB2 PRO 14 -0.806 -0.334 13.025 97 HB3 PRO 14 HB1 PRO 14 -1.500 -1.613 12.009 98 HG2 PRO 14 HG2 PRO 14 -0.747 0.761 10.993 99 HG3 PRO 14 HG1 PRO 14 -2.135 -0.139 10.353 100 HD2 PRO 14 HD2 PRO 14 -2.130 2.198 12.258 101 HD3 PRO 14 HD1 PRO 14 -3.163 1.914 10.838 102 H LEU 15 HN LEU 15 -1.355 1.069 14.272 103 HA LEU 15 HA LEU 15 -1.293 -0.040 16.877 104 HB2 LEU 15 HB2 LEU 15 -0.453 2.661 15.809 105 HB3 LEU 15 HB1 LEU 15 -0.144 2.128 17.460 106 HG LEU 15 HG LEU 15 0.754 0.591 15.004 107 HD11 LEU 15 HD11 LEU 15 1.901 2.708 14.972 108 HD12 LEU 15 HD12 LEU 15 3.031 1.510 15.603 109 HD13 LEU 15 HD13 LEU 15 2.220 2.624 16.704 110 HD21 LEU 15 HD21 LEU 15 1.148 0.286 17.980 111 HD22 LEU 15 HD22 LEU 15 2.423 -0.250 16.889 112 HD23 LEU 15 HD23 LEU 15 0.813 -0.948 16.767 113 H LEU 16 HN LEU 16 -3.093 2.616 15.422 114 HA LEU 16 HA LEU 16 -4.175 3.721 17.759 115 HB2 LEU 16 HB2 LEU 16 -4.261 4.781 15.518 116 HB3 LEU 16 HB1 LEU 16 -5.431 3.567 15.007 117 HG LEU 16 HG LEU 16 -6.971 4.327 16.814 118 HD11 LEU 16 HD11 LEU 16 -4.652 6.165 17.375 119 HD12 LEU 16 HD12 LEU 16 -5.693 5.300 18.508 120 HD13 LEU 16 HD13 LEU 16 -6.290 6.736 17.686 121 HD21 LEU 16 HD21 LEU 16 -7.377 5.263 14.664 122 HD22 LEU 16 HD22 LEU 16 -5.963 6.314 14.765 123 HD23 LEU 16 HD23 LEU 16 -7.380 6.641 15.763 124 H ASN 17 HN ASN 17 -5.337 1.098 15.671 125 HA ASN 17 HA ASN 17 -7.806 0.680 16.968 126 HB2 ASN 17 HB2 ASN 17 -7.372 -0.285 14.794 127 HB3 ASN 17 HB1 ASN 17 -6.045 -1.247 15.443 128 HD21 ASN 17 HD21 ASN 17 -6.790 -3.384 15.481 129 HD22 ASN 17 HD22 ASN 17 -8.295 -3.868 16.100 130 H VAL 18 HN VAL 18 -4.568 -0.627 17.566 131 HA VAL 18 HA VAL 18 -5.295 -2.531 19.518 132 HB VAL 18 HB VAL 18 -2.727 -0.972 19.141 133 HG11 VAL 18 HG11 VAL 18 -3.430 -3.296 20.947 134 HG12 VAL 18 HG12 VAL 18 -2.726 -1.746 21.408 135 HG13 VAL 18 HG13 VAL 18 -1.769 -2.911 20.493 136 HG21 VAL 18 HG21 VAL 18 -1.965 -2.898 17.945 137 HG22 VAL 18 HG22 VAL 18 -3.577 -2.552 17.315 138 HG23 VAL 18 HG23 VAL 18 -3.346 -3.859 18.476 139 H ILE 19 HN ILE 19 -4.286 0.865 19.791 140 HA ILE 19 HA ILE 19 -4.444 1.021 22.615 141 HB ILE 19 HB ILE 19 -4.707 3.144 20.471 142 HG12 ILE 19 HG12 ILE 19 -2.518 2.036 20.522 143 HG13 ILE 19 HG11 ILE 19 -2.377 3.687 21.112 144 HG21 ILE 19 HG21 ILE 19 -4.108 4.697 22.410 145 HG22 ILE 19 HG22 ILE 19 -4.553 3.367 23.480 146 HG23 ILE 19 HG23 ILE 19 -5.754 4.066 22.395 147 HD11 ILE 19 HD11 ILE 19 -2.099 1.108 22.596 148 HD12 ILE 19 HD12 ILE 19 -2.771 2.475 23.479 149 HD13 ILE 19 HD13 ILE 19 -1.172 2.597 22.752 150 H ALA 20 HN ALA 20 -6.749 1.705 20.023 151 HA ALA 20 HA ALA 20 -8.847 2.672 21.658 152 HB1 ALA 20 HB1 ALA 20 -8.642 2.876 19.132 153 HB2 ALA 20 HB2 ALA 20 -10.240 2.436 19.737 154 HB3 ALA 20 HB3 ALA 20 -9.189 1.201 19.041 155 HN1 NH2 21 H2 NH2 21 -9.053 -1.398 21.755 156 HN2 NH2 21 H1 NH2 21 -7.851 -0.629 20.835 Start of MODEL 37 1 H1 ACE 0 HA2 ACE 0 3.260 -6.212 5.729 2 H2 ACE 0 HA3 ACE 0 4.323 -7.066 4.610 3 H3 ACE 0 HA1 ACE 0 3.805 -7.848 6.103 4 H LEU 1 HN LEU 1 1.064 -6.657 5.731 5 HA LEU 1 HA LEU 1 -0.152 -8.856 4.443 6 HB2 LEU 1 HB2 LEU 1 -1.238 -6.144 5.211 7 HB3 LEU 1 HB1 LEU 1 -2.239 -7.447 4.576 8 HG LEU 1 HG LEU 1 -0.479 -7.721 7.031 9 HD11 LEU 1 HD11 LEU 1 -2.228 -6.029 7.406 10 HD12 LEU 1 HD12 LEU 1 -2.570 -7.494 8.329 11 HD13 LEU 1 HD13 LEU 1 -3.455 -7.161 6.839 12 HD21 LEU 1 HD21 LEU 1 -2.277 -9.625 7.388 13 HD22 LEU 1 HD22 LEU 1 -0.924 -9.913 6.303 14 HD23 LEU 1 HD23 LEU 1 -2.504 -9.484 5.646 15 H GLY 2 HN GLY 2 0.554 -5.568 3.366 16 HA2 GLY 2 HA2 GLY 2 0.724 -6.331 0.624 17 HA3 GLY 2 HA1 GLY 2 -0.793 -5.494 0.949 18 H LEU 3 HN LEU 3 2.466 -5.041 2.278 19 HA LEU 3 HA LEU 3 3.860 -3.225 2.384 20 HB2 LEU 3 HB2 LEU 3 2.365 -2.220 -0.051 21 HB3 LEU 3 HB1 LEU 3 3.962 -1.723 0.494 22 HG LEU 3 HG LEU 3 3.223 -4.530 -0.378 23 HD11 LEU 3 HD11 LEU 3 3.270 -2.740 -2.172 24 HD12 LEU 3 HD12 LEU 3 4.428 -4.051 -2.407 25 HD13 LEU 3 HD13 LEU 3 4.970 -2.493 -1.784 26 HD21 LEU 3 HD21 LEU 3 5.022 -4.802 1.107 27 HD22 LEU 3 HD22 LEU 3 5.743 -3.248 0.686 28 HD23 LEU 3 HD23 LEU 3 5.852 -4.605 -0.434 29 H LEU 4 HN LEU 4 0.570 -3.058 2.787 30 HA LEU 4 HA LEU 4 0.075 -0.306 3.106 31 HB2 LEU 4 HB2 LEU 4 -1.734 -1.924 2.938 32 HB3 LEU 4 HB1 LEU 4 -1.209 -2.705 4.427 33 HG LEU 4 HG LEU 4 -1.738 -0.687 5.714 34 HD11 LEU 4 HD11 LEU 4 -2.217 0.462 2.963 35 HD12 LEU 4 HD12 LEU 4 -1.299 1.149 4.305 36 HD13 LEU 4 HD13 LEU 4 -3.058 1.130 4.362 37 HD21 LEU 4 HD21 LEU 4 -3.585 -2.191 5.482 38 HD22 LEU 4 HD22 LEU 4 -3.890 -1.668 3.826 39 HD23 LEU 4 HD23 LEU 4 -4.232 -0.580 5.171 40 H SER 5 HN SER 5 1.128 -2.785 5.414 41 HA SER 5 HA SER 5 1.041 -1.192 7.716 42 HB2 SER 5 HB2 SER 5 2.902 -3.510 7.185 43 HB3 SER 5 HB1 SER 5 2.398 -2.903 8.761 44 HG SER 5 HG SER 5 1.236 -4.776 7.559 45 H TYR 6 HN TYR 6 3.501 -1.428 5.231 46 HA TYR 6 HA TYR 6 5.713 -0.430 6.596 47 HB2 TYR 6 HB2 TYR 6 4.822 -0.203 3.726 48 HB3 TYR 6 HB1 TYR 6 6.313 0.557 4.276 49 HD1 TYR 6 HD2 TYR 6 4.519 -2.735 4.565 50 HD2 TYR 6 HD1 TYR 6 8.285 -0.702 4.172 51 HE1 TYR 6 HE2 TYR 6 5.684 -4.917 4.456 52 HE2 TYR 6 HE1 TYR 6 9.450 -2.888 4.062 53 HH TYR 6 HH TYR 6 8.788 -5.372 5.001 54 H GLY 7 HN GLY 7 3.036 1.360 5.075 55 HA2 GLY 7 HA2 GLY 7 2.543 3.406 6.608 56 HA3 GLY 7 HA1 GLY 7 4.159 3.895 6.106 57 H ALA 8 HN ALA 8 1.822 2.221 4.065 58 HA ALA 8 HA ALA 8 2.120 4.031 1.913 59 HB1 ALA 8 HB1 ALA 8 0.022 1.960 2.552 60 HB2 ALA 8 HB2 ALA 8 1.354 1.835 1.406 61 HB3 ALA 8 HB3 ALA 8 -0.007 2.902 1.066 62 H GLY 9 HN GLY 9 0.184 4.071 4.751 63 HA2 GLY 9 HA2 GLY 9 -0.911 6.692 4.032 64 HA3 GLY 9 HA1 GLY 9 -2.065 5.423 4.442 65 H VAL 10 HN VAL 10 0.965 5.193 5.962 66 HA VAL 10 HA VAL 10 1.594 5.313 8.171 67 HB VAL 10 HB VAL 10 -0.063 7.843 8.060 68 HG11 VAL 10 HG11 VAL 10 1.925 6.733 10.027 69 HG12 VAL 10 HG12 VAL 10 0.443 7.640 10.325 70 HG13 VAL 10 HG13 VAL 10 1.883 8.476 9.760 71 HG21 VAL 10 HG21 VAL 10 2.829 7.271 7.350 72 HG22 VAL 10 HG22 VAL 10 2.165 8.894 7.534 73 HG23 VAL 10 HG23 VAL 10 1.560 7.832 6.262 74 H ALA 11 HN ALA 11 -1.275 4.376 7.284 75 HA ALA 11 HA ALA 11 -2.808 4.619 9.726 76 HB1 ALA 11 HB1 ALA 11 -3.248 2.831 7.322 77 HB2 ALA 11 HB2 ALA 11 -3.879 4.471 7.488 78 HB3 ALA 11 HB3 ALA 11 -4.428 3.200 8.580 79 H SER 12 HN SER 12 -0.068 3.099 9.276 80 HA SER 12 HA SER 12 -0.710 0.399 10.067 81 HB2 SER 12 HB2 SER 12 1.689 0.052 10.065 82 HB3 SER 12 HB1 SER 12 1.231 0.963 8.627 83 HG SER 12 HG SER 12 1.645 2.817 10.286 84 H LEU 13 HN LEU 13 -0.447 3.303 11.787 85 HA LEU 13 HA LEU 13 0.320 1.877 14.274 86 HB2 LEU 13 HB2 LEU 13 1.169 4.395 13.155 87 HB3 LEU 13 HB1 LEU 13 0.358 4.723 14.679 88 HG LEU 13 HG LEU 13 1.836 2.879 15.688 89 HD11 LEU 13 HD11 LEU 13 3.261 3.328 13.046 90 HD12 LEU 13 HD12 LEU 13 2.554 1.817 13.613 91 HD13 LEU 13 HD13 LEU 13 3.965 2.489 14.428 92 HD21 LEU 13 HD21 LEU 13 2.943 5.483 14.613 93 HD22 LEU 13 HD22 LEU 13 3.853 4.453 15.719 94 HD23 LEU 13 HD23 LEU 13 2.316 5.152 16.228 95 HA PRO 14 HA PRO 14 -3.500 4.718 15.456 96 HB2 PRO 14 HB2 PRO 14 -4.878 4.700 12.799 97 HB3 PRO 14 HB1 PRO 14 -4.770 5.997 14.005 98 HG2 PRO 14 HG2 PRO 14 -3.349 6.073 11.747 99 HG3 PRO 14 HG1 PRO 14 -2.696 6.686 13.277 100 HD2 PRO 14 HD2 PRO 14 -2.052 4.137 11.843 101 HD3 PRO 14 HD1 PRO 14 -1.000 5.182 12.817 102 H LEU 15 HN LEU 15 -3.958 2.336 12.833 103 HA LEU 15 HA LEU 15 -6.321 1.177 13.859 104 HB2 LEU 15 HB2 LEU 15 -4.167 0.076 12.048 105 HB3 LEU 15 HB1 LEU 15 -5.663 -0.784 12.407 106 HG LEU 15 HG LEU 15 -5.554 2.014 11.233 107 HD11 LEU 15 HD11 LEU 15 -6.320 0.813 9.132 108 HD12 LEU 15 HD12 LEU 15 -5.859 -0.696 9.919 109 HD13 LEU 15 HD13 LEU 15 -4.638 0.533 9.582 110 HD21 LEU 15 HD21 LEU 15 -7.991 1.151 10.575 111 HD22 LEU 15 HD22 LEU 15 -7.691 1.853 12.158 112 HD23 LEU 15 HD23 LEU 15 -7.762 0.101 11.972 113 H LEU 16 HN LEU 16 -2.907 0.389 14.307 114 HA LEU 16 HA LEU 16 -3.268 -1.960 15.837 115 HB2 LEU 16 HB2 LEU 16 -1.030 0.026 15.503 116 HB3 LEU 16 HB1 LEU 16 -0.901 -1.256 16.709 117 HG LEU 16 HG LEU 16 -1.290 -2.953 14.988 118 HD11 LEU 16 HD11 LEU 16 -2.702 -1.923 13.412 119 HD12 LEU 16 HD12 LEU 16 -1.174 -2.093 12.552 120 HD13 LEU 16 HD13 LEU 16 -1.639 -0.531 13.225 121 HD21 LEU 16 HD21 LEU 16 0.884 -0.930 14.380 122 HD22 LEU 16 HD22 LEU 16 0.798 -2.518 13.617 123 HD23 LEU 16 HD23 LEU 16 1.015 -2.390 15.362 124 H ASN 17 HN ASN 17 -3.031 1.455 16.700 125 HA ASN 17 HA ASN 17 -2.932 1.163 19.499 126 HB2 ASN 17 HB2 ASN 17 -2.441 3.278 18.335 127 HB3 ASN 17 HB1 ASN 17 -4.134 3.402 17.858 128 HD21 ASN 17 HD21 ASN 17 -4.664 5.271 19.123 129 HD22 ASN 17 HD22 ASN 17 -4.616 5.274 20.819 130 H VAL 18 HN VAL 18 -5.652 1.427 17.239 131 HA VAL 18 HA VAL 18 -7.699 1.524 19.197 132 HB VAL 18 HB VAL 18 -7.730 0.594 16.315 133 HG11 VAL 18 HG11 VAL 18 -10.230 1.025 16.566 134 HG12 VAL 18 HG12 VAL 18 -9.965 1.032 18.311 135 HG13 VAL 18 HG13 VAL 18 -9.625 -0.421 17.371 136 HG21 VAL 18 HG21 VAL 18 -8.772 3.154 17.559 137 HG22 VAL 18 HG22 VAL 18 -8.575 2.796 15.843 138 HG23 VAL 18 HG23 VAL 18 -7.156 3.010 16.867 139 H ILE 19 HN ILE 19 -6.240 -1.132 17.361 140 HA ILE 19 HA ILE 19 -7.840 -3.213 18.420 141 HB ILE 19 HB ILE 19 -5.060 -3.227 17.221 142 HG12 ILE 19 HG12 ILE 19 -7.694 -4.164 16.054 143 HG13 ILE 19 HG11 ILE 19 -7.063 -2.532 15.814 144 HG21 ILE 19 HG21 ILE 19 -5.640 -5.719 16.888 145 HG22 ILE 19 HG22 ILE 19 -6.862 -5.475 18.136 146 HG23 ILE 19 HG23 ILE 19 -5.159 -5.216 18.508 147 HD11 ILE 19 HD11 ILE 19 -4.997 -3.476 14.842 148 HD12 ILE 19 HD12 ILE 19 -6.421 -3.987 13.935 149 HD13 ILE 19 HD13 ILE 19 -5.643 -5.102 15.059 150 H ALA 20 HN ALA 20 -4.701 -1.871 19.353 151 HA ALA 20 HA ALA 20 -4.318 -3.709 21.530 152 HB1 ALA 20 HB1 ALA 20 -2.964 -1.089 20.843 153 HB2 ALA 20 HB2 ALA 20 -2.379 -2.714 20.481 154 HB3 ALA 20 HB3 ALA 20 -2.460 -2.156 22.153 155 HN1 NH2 21 H2 NH2 21 -5.779 -0.167 23.027 156 HN2 NH2 21 H1 NH2 21 -5.018 -0.169 21.509 Start of MODEL 38 1 H1 ACE 0 HA2 ACE 0 6.785 -4.842 0.742 2 H2 ACE 0 HA3 ACE 0 8.247 -5.154 -0.193 3 H3 ACE 0 HA1 ACE 0 6.727 -5.925 -0.649 4 H LEU 1 HN LEU 1 6.638 -5.066 -2.728 5 HA LEU 1 HA LEU 1 7.071 -2.354 -3.393 6 HB2 LEU 1 HB2 LEU 1 5.456 -4.520 -4.746 7 HB3 LEU 1 HB1 LEU 1 5.736 -2.935 -5.460 8 HG LEU 1 HG LEU 1 7.965 -4.777 -4.545 9 HD11 LEU 1 HD11 LEU 1 8.243 -5.384 -6.903 10 HD12 LEU 1 HD12 LEU 1 6.873 -4.365 -7.345 11 HD13 LEU 1 HD13 LEU 1 6.619 -5.806 -6.360 12 HD21 LEU 1 HD21 LEU 1 7.830 -2.126 -5.978 13 HD22 LEU 1 HD22 LEU 1 9.145 -3.235 -6.361 14 HD23 LEU 1 HD23 LEU 1 8.937 -2.656 -4.713 15 H GLY 2 HN GLY 2 4.144 -4.152 -2.539 16 HA2 GLY 2 HA2 GLY 2 2.626 -1.598 -2.412 17 HA3 GLY 2 HA1 GLY 2 1.912 -3.181 -2.709 18 H LEU 3 HN LEU 3 3.540 -4.515 -0.712 19 HA LEU 3 HA LEU 3 1.816 -4.263 1.499 20 HB2 LEU 3 HB2 LEU 3 4.529 -5.567 1.246 21 HB3 LEU 3 HB1 LEU 3 3.463 -5.751 2.639 22 HG LEU 3 HG LEU 3 2.691 -6.436 -0.214 23 HD11 LEU 3 HD11 LEU 3 3.030 -8.749 0.371 24 HD12 LEU 3 HD12 LEU 3 3.372 -8.330 2.050 25 HD13 LEU 3 HD13 LEU 3 4.506 -7.875 0.779 26 HD21 LEU 3 HD21 LEU 3 0.933 -7.805 1.289 27 HD22 LEU 3 HD22 LEU 3 0.639 -6.133 0.821 28 HD23 LEU 3 HD23 LEU 3 1.261 -6.499 2.429 29 H LEU 4 HN LEU 4 5.068 -2.965 0.904 30 HA LEU 4 HA LEU 4 5.518 -1.982 3.505 31 HB2 LEU 4 HB2 LEU 4 7.317 -2.140 1.861 32 HB3 LEU 4 HB1 LEU 4 6.514 -0.954 0.837 33 HG LEU 4 HG LEU 4 6.803 0.775 2.539 34 HD11 LEU 4 HD11 LEU 4 7.815 -1.545 4.181 35 HD12 LEU 4 HD12 LEU 4 6.648 -0.299 4.627 36 HD13 LEU 4 HD13 LEU 4 8.361 0.097 4.527 37 HD21 LEU 4 HD21 LEU 4 9.371 -0.775 2.092 38 HD22 LEU 4 HD22 LEU 4 9.250 0.943 2.474 39 HD23 LEU 4 HD23 LEU 4 8.645 0.337 0.932 40 H SER 5 HN SER 5 4.225 -0.316 0.618 41 HA SER 5 HA SER 5 3.676 2.132 1.954 42 HB2 SER 5 HB2 SER 5 3.801 2.244 -0.403 43 HB3 SER 5 HB1 SER 5 2.686 0.898 -0.612 44 HG SER 5 HG SER 5 1.970 3.330 0.655 45 H TYR 6 HN TYR 6 1.689 -0.671 1.147 46 HA TYR 6 HA TYR 6 -0.766 0.276 2.136 47 HB2 TYR 6 HB2 TYR 6 -0.706 -1.609 0.661 48 HB3 TYR 6 HB1 TYR 6 0.329 -2.509 1.763 49 HD1 TYR 6 HD2 TYR 6 -3.010 -0.796 1.675 50 HD2 TYR 6 HD1 TYR 6 -0.653 -4.024 3.253 51 HE1 TYR 6 HE2 TYR 6 -5.020 -1.718 2.799 52 HE2 TYR 6 HE1 TYR 6 -2.658 -4.945 4.371 53 HH TYR 6 HH TYR 6 -4.994 -4.862 4.316 54 H GLY 7 HN GLY 7 1.785 -1.648 3.710 55 HA2 GLY 7 HA2 GLY 7 0.334 -1.787 6.207 56 HA3 GLY 7 HA1 GLY 7 1.966 -2.372 5.911 57 H ALA 8 HN ALA 8 1.769 0.758 4.778 58 HA ALA 8 HA ALA 8 3.150 1.773 7.173 59 HB1 ALA 8 HB1 ALA 8 4.345 2.053 5.089 60 HB2 ALA 8 HB2 ALA 8 3.835 3.635 5.676 61 HB3 ALA 8 HB3 ALA 8 2.956 2.857 4.357 62 H GLY 9 HN GLY 9 0.285 1.505 7.364 63 HA2 GLY 9 HA2 GLY 9 -0.337 4.180 8.210 64 HA3 GLY 9 HA1 GLY 9 -1.252 3.713 6.777 65 H VAL 10 HN VAL 10 -1.462 0.984 7.321 66 HA VAL 10 HA VAL 10 -3.497 1.008 9.450 67 HB VAL 10 HB VAL 10 -3.899 -1.354 8.325 68 HG11 VAL 10 HG11 VAL 10 -4.575 1.263 6.951 69 HG12 VAL 10 HG12 VAL 10 -5.500 0.513 8.251 70 HG13 VAL 10 HG13 VAL 10 -5.401 -0.271 6.674 71 HG21 VAL 10 HG21 VAL 10 -2.658 0.148 6.021 72 HG22 VAL 10 HG22 VAL 10 -3.200 -1.530 6.056 73 HG23 VAL 10 HG23 VAL 10 -1.762 -1.049 6.955 74 H ALA 11 HN ALA 11 -0.632 -0.773 8.344 75 HA ALA 11 HA ALA 11 0.796 -2.211 9.429 76 HB1 ALA 11 HB1 ALA 11 1.142 -0.247 10.874 77 HB2 ALA 11 HB2 ALA 11 1.225 -1.743 11.803 78 HB3 ALA 11 HB3 ALA 11 -0.224 -0.740 11.875 79 H SER 12 HN SER 12 -1.620 -1.928 11.973 80 HA SER 12 HA SER 12 -3.021 -4.330 11.439 81 HB2 SER 12 HB2 SER 12 -0.791 -5.297 12.095 82 HB3 SER 12 HB1 SER 12 -0.987 -4.541 13.674 83 HG SER 12 HG SER 12 -3.224 -5.864 12.990 84 H LEU 13 HN LEU 13 -3.403 -1.581 12.212 85 HA LEU 13 HA LEU 13 -4.630 -0.282 13.637 86 HB2 LEU 13 HB2 LEU 13 -5.799 -3.014 14.142 87 HB3 LEU 13 HB1 LEU 13 -6.438 -1.570 14.919 88 HG LEU 13 HG LEU 13 -7.650 -2.193 12.814 89 HD11 LEU 13 HD11 LEU 13 -8.000 -0.002 12.171 90 HD12 LEU 13 HD12 LEU 13 -6.291 0.416 12.213 91 HD13 LEU 13 HD13 LEU 13 -7.202 0.268 13.717 92 HD21 LEU 13 HD21 LEU 13 -5.188 -1.277 11.326 93 HD22 LEU 13 HD22 LEU 13 -6.605 -2.116 10.698 94 HD23 LEU 13 HD23 LEU 13 -5.449 -2.980 11.707 95 HA PRO 14 HA PRO 14 -2.305 -1.659 17.466 96 HB2 PRO 14 HB2 PRO 14 0.163 -0.622 17.199 97 HB3 PRO 14 HB1 PRO 14 -0.276 -2.156 16.421 98 HG2 PRO 14 HG2 PRO 14 0.023 0.552 15.216 99 HG3 PRO 14 HG1 PRO 14 0.405 -1.035 14.531 100 HD2 PRO 14 HD2 PRO 14 -1.958 0.453 14.029 101 HD3 PRO 14 HD1 PRO 14 -1.684 -1.256 13.642 102 H LEU 15 HN LEU 15 -1.397 1.406 15.892 103 HA LEU 15 HA LEU 15 -1.394 2.981 18.235 104 HB2 LEU 15 HB2 LEU 15 -1.629 3.673 15.304 105 HB3 LEU 15 HB1 LEU 15 -1.508 4.893 16.568 106 HG LEU 15 HG LEU 15 0.516 2.658 16.242 107 HD11 LEU 15 HD11 LEU 15 0.659 3.854 14.192 108 HD12 LEU 15 HD12 LEU 15 1.929 4.536 15.204 109 HD13 LEU 15 HD13 LEU 15 0.412 5.408 14.988 110 HD21 LEU 15 HD21 LEU 15 0.799 3.595 18.392 111 HD22 LEU 15 HD22 LEU 15 0.370 5.216 17.850 112 HD23 LEU 15 HD23 LEU 15 1.933 4.525 17.420 113 H LEU 16 HN LEU 16 -3.845 2.350 15.774 114 HA LEU 16 HA LEU 16 -5.771 4.203 16.667 115 HB2 LEU 16 HB2 LEU 16 -5.890 1.658 15.069 116 HB3 LEU 16 HB1 LEU 16 -7.377 2.480 15.525 117 HG LEU 16 HG LEU 16 -6.464 3.118 13.254 118 HD11 LEU 16 HD11 LEU 16 -7.215 5.303 13.423 119 HD12 LEU 16 HD12 LEU 16 -6.383 5.601 14.945 120 HD13 LEU 16 HD13 LEU 16 -7.865 4.647 14.921 121 HD21 LEU 16 HD21 LEU 16 -4.477 4.445 13.087 122 HD22 LEU 16 HD22 LEU 16 -4.055 3.043 14.070 123 HD23 LEU 16 HD23 LEU 16 -4.354 4.601 14.842 124 H ASN 17 HN ASN 17 -5.110 0.853 17.579 125 HA ASN 17 HA ASN 17 -7.382 0.415 19.176 126 HB2 ASN 17 HB2 ASN 17 -5.908 -1.402 18.483 127 HB3 ASN 17 HB1 ASN 17 -4.594 -0.727 19.442 128 HD21 ASN 17 HD21 ASN 17 -4.363 -2.098 21.221 129 HD22 ASN 17 HD22 ASN 17 -5.644 -2.635 22.199 130 H VAL 18 HN VAL 18 -4.216 1.816 19.962 131 HA VAL 18 HA VAL 18 -4.598 2.004 22.755 132 HB VAL 18 HB VAL 18 -2.925 3.668 20.858 133 HG11 VAL 18 HG11 VAL 18 -3.083 3.628 23.881 134 HG12 VAL 18 HG12 VAL 18 -3.249 5.019 22.810 135 HG13 VAL 18 HG13 VAL 18 -1.678 4.243 23.010 136 HG21 VAL 18 HG21 VAL 18 -1.128 2.239 21.504 137 HG22 VAL 18 HG22 VAL 18 -2.484 1.158 21.186 138 HG23 VAL 18 HG23 VAL 18 -2.049 1.563 22.847 139 H ILE 19 HN ILE 19 -5.201 4.348 20.142 140 HA ILE 19 HA ILE 19 -6.254 6.380 21.830 141 HB ILE 19 HB ILE 19 -6.822 5.893 18.897 142 HG12 ILE 19 HG12 ILE 19 -4.415 5.997 19.266 143 HG13 ILE 19 HG11 ILE 19 -4.945 7.501 18.524 144 HG21 ILE 19 HG21 ILE 19 -6.946 8.417 20.573 145 HG22 ILE 19 HG22 ILE 19 -8.340 7.513 19.980 146 HG23 ILE 19 HG23 ILE 19 -7.258 8.314 18.840 147 HD11 ILE 19 HD11 ILE 19 -3.557 8.270 20.241 148 HD12 ILE 19 HD12 ILE 19 -4.052 6.995 21.350 149 HD13 ILE 19 HD13 ILE 19 -5.138 8.339 21.014 150 H ALA 20 HN ALA 20 -7.737 3.783 19.929 151 HA ALA 20 HA ALA 20 -10.427 4.483 20.545 152 HB1 ALA 20 HB1 ALA 20 -11.033 2.458 19.494 153 HB2 ALA 20 HB2 ALA 20 -9.486 1.700 19.872 154 HB3 ALA 20 HB3 ALA 20 -9.572 2.971 18.653 155 HN1 NH2 21 H2 NH2 21 -9.004 2.318 23.652 156 HN2 NH2 21 H1 NH2 21 -7.980 2.859 22.411 Start of MODEL 39 1 H1 ACE 0 HA2 ACE 0 -0.112 -1.827 0.599 2 H2 ACE 0 HA3 ACE 0 0.037 -1.779 -1.159 3 H3 ACE 0 HA1 ACE 0 1.432 -1.406 -0.146 4 H LEU 1 HN LEU 1 2.461 -3.099 -1.488 5 HA LEU 1 HA LEU 1 1.682 -5.815 -1.389 6 HB2 LEU 1 HB2 LEU 1 4.381 -4.513 -1.811 7 HB3 LEU 1 HB1 LEU 1 4.096 -6.241 -1.995 8 HG LEU 1 HG LEU 1 2.507 -4.143 -3.499 9 HD11 LEU 1 HD11 LEU 1 3.996 -4.755 -5.438 10 HD12 LEU 1 HD12 LEU 1 5.038 -5.607 -4.298 11 HD13 LEU 1 HD13 LEU 1 4.815 -3.864 -4.155 12 HD21 LEU 1 HD21 LEU 1 2.307 -6.239 -5.071 13 HD22 LEU 1 HD22 LEU 1 1.313 -6.172 -3.622 14 HD23 LEU 1 HD23 LEU 1 2.779 -7.151 -3.640 15 H GLY 2 HN GLY 2 3.801 -3.849 0.637 16 HA2 GLY 2 HA2 GLY 2 3.323 -5.032 3.054 17 HA3 GLY 2 HA1 GLY 2 4.593 -6.024 2.343 18 H LEU 3 HN LEU 3 6.027 -4.100 0.961 19 HA LEU 3 HA LEU 3 7.121 -2.403 3.142 20 HB2 LEU 3 HB2 LEU 3 8.535 -3.642 0.766 21 HB3 LEU 3 HB1 LEU 3 9.285 -2.596 1.969 22 HG LEU 3 HG LEU 3 7.932 -5.241 2.591 23 HD11 LEU 3 HD11 LEU 3 10.857 -4.507 2.275 24 HD12 LEU 3 HD12 LEU 3 9.940 -5.656 1.300 25 HD13 LEU 3 HD13 LEU 3 10.291 -6.016 2.990 26 HD21 LEU 3 HD21 LEU 3 9.337 -3.139 4.240 27 HD22 LEU 3 HD22 LEU 3 9.423 -4.828 4.741 28 HD23 LEU 3 HD23 LEU 3 7.859 -4.032 4.600 29 H LEU 4 HN LEU 4 5.481 -2.395 0.223 30 HA LEU 4 HA LEU 4 6.604 -0.197 -1.145 31 HB2 LEU 4 HB2 LEU 4 4.953 -1.774 -2.103 32 HB3 LEU 4 HB1 LEU 4 3.715 -1.100 -1.051 33 HG LEU 4 HG LEU 4 5.319 0.660 -2.920 34 HD11 LEU 4 HD11 LEU 4 3.516 0.414 -4.584 35 HD12 LEU 4 HD12 LEU 4 2.739 -0.796 -3.566 36 HD13 LEU 4 HD13 LEU 4 4.320 -1.126 -4.278 37 HD21 LEU 4 HD21 LEU 4 2.812 1.749 -2.773 38 HD22 LEU 4 HD22 LEU 4 4.114 2.162 -1.671 39 HD23 LEU 4 HD23 LEU 4 2.904 0.983 -1.189 40 H SER 5 HN SER 5 3.990 -0.392 1.249 41 HA SER 5 HA SER 5 4.230 2.537 1.696 42 HB2 SER 5 HB2 SER 5 2.071 2.011 0.730 43 HB3 SER 5 HB1 SER 5 1.820 0.723 1.907 44 HG SER 5 HG SER 5 0.781 2.463 2.732 45 H TYR 6 HN TYR 6 3.852 -0.656 3.126 46 HA TYR 6 HA TYR 6 4.096 -1.420 5.274 47 HB2 TYR 6 HB2 TYR 6 6.360 -0.417 4.804 48 HB3 TYR 6 HB1 TYR 6 5.814 1.035 5.642 49 HD1 TYR 6 HD1 TYR 6 6.540 -2.576 6.026 50 HD2 TYR 6 HD2 TYR 6 5.567 1.089 8.039 51 HE1 TYR 6 HE1 TYR 6 7.076 -3.633 8.203 52 HE2 TYR 6 HE2 TYR 6 6.101 0.035 10.220 53 HH TYR 6 HH TYR 6 7.817 -2.209 10.803 54 H GLY 7 HN GLY 7 2.319 1.123 4.511 55 HA2 GLY 7 HA2 GLY 7 1.043 1.266 7.099 56 HA3 GLY 7 HA1 GLY 7 1.801 2.774 6.593 57 H ALA 8 HN ALA 8 0.638 0.749 4.065 58 HA ALA 8 HA ALA 8 -1.145 2.717 3.081 59 HB1 ALA 8 HB1 ALA 8 -0.514 -0.132 2.393 60 HB2 ALA 8 HB2 ALA 8 -0.372 1.316 1.396 61 HB3 ALA 8 HB3 ALA 8 -1.956 0.603 1.688 62 H GLY 9 HN GLY 9 -1.497 0.491 5.602 63 HA2 GLY 9 HA2 GLY 9 -4.064 1.278 6.325 64 HA3 GLY 9 HA1 GLY 9 -4.249 -0.169 5.343 65 H VAL 10 HN VAL 10 -1.583 -1.157 6.306 66 HA VAL 10 HA VAL 10 -2.508 -2.784 8.415 67 HB VAL 10 HB VAL 10 0.314 -2.159 7.524 68 HG11 VAL 10 HG11 VAL 10 0.741 -4.425 8.658 69 HG12 VAL 10 HG12 VAL 10 -0.812 -4.187 9.460 70 HG13 VAL 10 HG13 VAL 10 0.502 -3.040 9.724 71 HG21 VAL 10 HG21 VAL 10 -1.166 -3.202 5.814 72 HG22 VAL 10 HG22 VAL 10 -1.515 -4.510 6.941 73 HG23 VAL 10 HG23 VAL 10 0.123 -4.291 6.324 74 H ALA 11 HN ALA 11 -0.404 0.081 8.417 75 HA ALA 11 HA ALA 11 0.056 0.083 11.222 76 HB1 ALA 11 HB1 ALA 11 1.587 1.293 9.854 77 HB2 ALA 11 HB2 ALA 11 0.714 2.496 10.803 78 HB3 ALA 11 HB3 ALA 11 0.287 2.228 9.113 79 H SER 12 HN SER 12 -2.748 0.633 9.516 80 HA SER 12 HA SER 12 -3.806 2.792 11.123 81 HB2 SER 12 HB2 SER 12 -5.408 0.940 9.369 82 HB3 SER 12 HB1 SER 12 -5.756 2.610 9.809 83 HG SER 12 HG SER 12 -4.889 2.626 7.767 84 H LEU 13 HN LEU 13 -3.316 -0.479 11.738 85 HA LEU 13 HA LEU 13 -5.689 -0.658 13.498 86 HB2 LEU 13 HB2 LEU 13 -4.349 -2.560 11.785 87 HB3 LEU 13 HB1 LEU 13 -4.290 -3.160 13.439 88 HG LEU 13 HG LEU 13 -6.863 -2.152 12.193 89 HD11 LEU 13 HD11 LEU 13 -6.217 -3.937 10.751 90 HD12 LEU 13 HD12 LEU 13 -7.342 -4.649 11.907 91 HD13 LEU 13 HD13 LEU 13 -5.606 -4.901 12.095 92 HD21 LEU 13 HD21 LEU 13 -6.210 -3.993 14.519 93 HD22 LEU 13 HD22 LEU 13 -7.839 -3.610 13.967 94 HD23 LEU 13 HD23 LEU 13 -6.817 -2.343 14.644 95 HA PRO 14 HA PRO 14 -1.922 -1.956 16.365 96 HB2 PRO 14 HB2 PRO 14 0.161 -0.249 15.050 97 HB3 PRO 14 HB1 PRO 14 0.332 -1.835 15.831 98 HG2 PRO 14 HG2 PRO 14 0.363 -1.583 13.174 99 HG3 PRO 14 HG1 PRO 14 -0.397 -2.977 13.964 100 HD2 PRO 14 HD2 PRO 14 -1.697 -0.611 12.670 101 HD3 PRO 14 HD1 PRO 14 -2.247 -2.294 12.759 102 H LEU 15 HN LEU 15 -1.638 1.271 14.844 103 HA LEU 15 HA LEU 15 -1.251 2.691 17.264 104 HB2 LEU 15 HB2 LEU 15 -2.243 3.560 14.546 105 HB3 LEU 15 HB1 LEU 15 -1.927 4.686 15.863 106 HG LEU 15 HG LEU 15 0.136 2.729 14.803 107 HD11 LEU 15 HD11 LEU 15 -0.471 4.255 13.005 108 HD12 LEU 15 HD12 LEU 15 1.103 4.730 13.648 109 HD13 LEU 15 HD13 LEU 15 -0.342 5.638 14.092 110 HD21 LEU 15 HD21 LEU 15 0.155 4.993 16.800 111 HD22 LEU 15 HD22 LEU 15 1.620 4.640 15.888 112 HD23 LEU 15 HD23 LEU 15 0.905 3.404 16.914 113 H LEU 16 HN LEU 16 -4.127 2.001 15.329 114 HA LEU 16 HA LEU 16 -5.945 3.527 16.858 115 HB2 LEU 16 HB2 LEU 16 -6.222 1.231 14.936 116 HB3 LEU 16 HB1 LEU 16 -7.632 1.813 15.817 117 HG LEU 16 HG LEU 16 -7.273 2.859 13.529 118 HD11 LEU 16 HD11 LEU 16 -8.451 3.950 15.641 119 HD12 LEU 16 HD12 LEU 16 -8.159 4.898 14.190 120 HD13 LEU 16 HD13 LEU 16 -7.080 5.058 15.570 121 HD21 LEU 16 HD21 LEU 16 -5.492 4.397 13.177 122 HD22 LEU 16 HD22 LEU 16 -4.735 2.981 13.903 123 HD23 LEU 16 HD23 LEU 16 -5.058 4.408 14.884 124 H ASN 17 HN ASN 17 -4.896 0.153 17.108 125 HA ASN 17 HA ASN 17 -6.750 -0.663 19.062 126 HB2 ASN 17 HB2 ASN 17 -5.298 -2.205 17.757 127 HB3 ASN 17 HB1 ASN 17 -3.911 -1.638 18.683 128 HD21 ASN 17 HD21 ASN 17 -7.055 -3.312 19.038 129 HD22 ASN 17 HD22 ASN 17 -6.645 -4.104 20.482 130 H VAL 18 HN VAL 18 -3.529 0.793 19.352 131 HA VAL 18 HA VAL 18 -3.341 0.646 22.175 132 HB VAL 18 HB VAL 18 -2.065 2.520 20.171 133 HG11 VAL 18 HG11 VAL 18 -1.614 2.170 23.144 134 HG12 VAL 18 HG12 VAL 18 -1.979 3.660 22.274 135 HG13 VAL 18 HG13 VAL 18 -0.407 2.885 22.076 136 HG21 VAL 18 HG21 VAL 18 -0.122 1.070 20.462 137 HG22 VAL 18 HG22 VAL 18 -1.514 0.090 20.005 138 HG23 VAL 18 HG23 VAL 18 -0.974 0.126 21.683 139 H ILE 19 HN ILE 19 -4.448 3.198 19.976 140 HA ILE 19 HA ILE 19 -5.094 5.105 21.967 141 HB ILE 19 HB ILE 19 -6.131 4.710 19.151 142 HG12 ILE 19 HG12 ILE 19 -4.197 6.756 20.270 143 HG13 ILE 19 HG11 ILE 19 -3.678 5.232 19.550 144 HG21 ILE 19 HG21 ILE 19 -7.807 6.009 20.223 145 HG22 ILE 19 HG22 ILE 19 -6.751 7.201 19.465 146 HG23 ILE 19 HG23 ILE 19 -6.622 6.883 21.196 147 HD11 ILE 19 HD11 ILE 19 -5.291 7.404 18.181 148 HD12 ILE 19 HD12 ILE 19 -4.893 5.844 17.461 149 HD13 ILE 19 HD13 ILE 19 -3.609 6.987 17.856 150 H ALA 20 HN ALA 20 -6.989 2.605 20.321 151 HA ALA 20 HA ALA 20 -9.473 3.237 21.547 152 HB1 ALA 20 HB1 ALA 20 -8.433 0.692 20.291 153 HB2 ALA 20 HB2 ALA 20 -9.478 1.904 19.550 154 HB3 ALA 20 HB3 ALA 20 -10.090 0.892 20.859 155 HN1 NH2 21 H2 NH2 21 -7.767 0.331 23.907 156 HN2 NH2 21 H1 NH2 21 -7.330 0.416 22.270 Start of MODEL 40 1 H1 ACE 0 HA2 ACE 0 6.816 -5.106 -2.723 2 H2 ACE 0 HA3 ACE 0 6.855 -6.011 -4.237 3 H3 ACE 0 HA1 ACE 0 5.693 -6.440 -2.981 4 H LEU 1 HN LEU 1 3.696 -5.784 -3.392 5 HA LEU 1 HA LEU 1 3.003 -3.995 -5.465 6 HB2 LEU 1 HB2 LEU 1 1.432 -5.045 -3.105 7 HB3 LEU 1 HB1 LEU 1 0.719 -4.070 -4.385 8 HG LEU 1 HG LEU 1 2.226 -6.649 -4.902 9 HD11 LEU 1 HD11 LEU 1 0.243 -7.072 -3.491 10 HD12 LEU 1 HD12 LEU 1 0.019 -7.719 -5.116 11 HD13 LEU 1 HD13 LEU 1 -0.764 -6.209 -4.653 12 HD21 LEU 1 HD21 LEU 1 2.139 -5.522 -6.955 13 HD22 LEU 1 HD22 LEU 1 0.605 -4.739 -6.583 14 HD23 LEU 1 HD23 LEU 1 0.641 -6.446 -7.014 15 H GLY 2 HN GLY 2 3.360 -3.613 -1.980 16 HA2 GLY 2 HA2 GLY 2 4.086 -1.580 -0.963 17 HA3 GLY 2 HA1 GLY 2 3.408 -0.680 -2.317 18 H LEU 3 HN LEU 3 1.285 -3.046 -1.622 19 HA LEU 3 HA LEU 3 -0.485 -1.233 -0.127 20 HB2 LEU 3 HB2 LEU 3 -1.029 -3.864 -1.522 21 HB3 LEU 3 HB1 LEU 3 -2.247 -2.871 -0.726 22 HG LEU 3 HG LEU 3 -0.486 -1.921 -3.004 23 HD11 LEU 3 HD11 LEU 3 -3.415 -2.698 -3.074 24 HD12 LEU 3 HD12 LEU 3 -2.107 -3.747 -3.621 25 HD13 LEU 3 HD13 LEU 3 -2.412 -2.217 -4.443 26 HD21 LEU 3 HD21 LEU 3 -1.171 0.037 -1.929 27 HD22 LEU 3 HD22 LEU 3 -2.680 -0.672 -1.358 28 HD23 LEU 3 HD23 LEU 3 -2.509 -0.199 -3.048 29 H LEU 4 HN LEU 4 1.774 -3.472 0.621 30 HA LEU 4 HA LEU 4 0.266 -4.645 2.880 31 HB2 LEU 4 HB2 LEU 4 1.769 -5.950 1.093 32 HB3 LEU 4 HB1 LEU 4 3.063 -5.482 2.183 33 HG LEU 4 HG LEU 4 2.301 -7.655 2.872 34 HD11 LEU 4 HD11 LEU 4 0.914 -5.808 4.808 35 HD12 LEU 4 HD12 LEU 4 2.670 -5.797 4.627 36 HD13 LEU 4 HD13 LEU 4 1.848 -7.266 5.146 37 HD21 LEU 4 HD21 LEU 4 -0.512 -6.741 3.417 38 HD22 LEU 4 HD22 LEU 4 0.096 -8.349 3.037 39 HD23 LEU 4 HD23 LEU 4 -0.080 -7.154 1.757 40 H SER 5 HN SER 5 3.134 -2.762 2.040 41 HA SER 5 HA SER 5 4.001 -2.500 4.789 42 HB2 SER 5 HB2 SER 5 4.938 -1.144 2.256 43 HB3 SER 5 HB1 SER 5 5.711 -0.983 3.832 44 HG SER 5 HG SER 5 6.492 -2.677 2.285 45 H TYR 6 HN TYR 6 1.602 -1.039 2.975 46 HA TYR 6 HA TYR 6 1.832 1.676 3.647 47 HB2 TYR 6 HB2 TYR 6 -0.413 1.902 2.949 48 HB3 TYR 6 HB1 TYR 6 0.218 0.563 1.995 49 HD1 TYR 6 HD1 TYR 6 0.008 -1.822 3.234 50 HD2 TYR 6 HD2 TYR 6 -2.501 1.586 3.963 51 HE1 TYR 6 HE1 TYR 6 -1.757 -3.314 4.129 52 HE2 TYR 6 HE2 TYR 6 -4.266 0.095 4.861 53 HH TYR 6 HH TYR 6 -4.960 -2.187 4.780 54 H GLY 7 HN GLY 7 0.110 -0.951 5.343 55 HA2 GLY 7 HA2 GLY 7 -0.104 0.808 7.734 56 HA3 GLY 7 HA1 GLY 7 -1.267 -0.442 7.315 57 H ALA 8 HN ALA 8 2.056 -1.223 6.797 58 HA ALA 8 HA ALA 8 1.928 -3.389 8.657 59 HB1 ALA 8 HB1 ALA 8 3.292 -3.649 6.696 60 HB2 ALA 8 HB2 ALA 8 4.367 -3.649 8.094 61 HB3 ALA 8 HB3 ALA 8 4.227 -2.205 7.092 62 H GLY 9 HN GLY 9 1.313 -1.901 10.498 63 HA2 GLY 9 HA2 GLY 9 1.966 -1.305 12.647 64 HA3 GLY 9 HA1 GLY 9 3.642 -1.504 12.165 65 H VAL 10 HN VAL 10 2.389 0.304 9.818 66 HA VAL 10 HA VAL 10 3.732 2.672 10.576 67 HB VAL 10 HB VAL 10 1.688 2.159 8.413 68 HG11 VAL 10 HG11 VAL 10 3.450 4.540 9.021 69 HG12 VAL 10 HG12 VAL 10 1.710 4.517 8.732 70 HG13 VAL 10 HG13 VAL 10 2.829 4.228 7.400 71 HG21 VAL 10 HG21 VAL 10 3.825 0.846 8.335 72 HG22 VAL 10 HG22 VAL 10 4.712 2.370 8.298 73 HG23 VAL 10 HG23 VAL 10 3.633 1.944 6.969 74 H ALA 11 HN ALA 11 0.251 1.914 10.436 75 HA ALA 11 HA ALA 11 -0.310 3.814 12.549 76 HB1 ALA 11 HB1 ALA 11 -1.959 5.091 11.117 77 HB2 ALA 11 HB2 ALA 11 -1.188 4.355 9.713 78 HB3 ALA 11 HB3 ALA 11 -0.257 5.410 10.775 79 H SER 12 HN SER 12 -1.415 1.544 10.121 80 HA SER 12 HA SER 12 -4.099 1.308 10.924 81 HB2 SER 12 HB2 SER 12 -3.136 0.449 8.783 82 HB3 SER 12 HB1 SER 12 -2.361 -0.841 9.698 83 HG SER 12 HG SER 12 -4.397 -1.472 8.855 84 H LEU 13 HN LEU 13 -1.258 0.359 12.565 85 HA LEU 13 HA LEU 13 -2.810 -1.552 14.223 86 HB2 LEU 13 HB2 LEU 13 -0.284 -1.865 12.893 87 HB3 LEU 13 HB1 LEU 13 0.015 -1.928 14.626 88 HG LEU 13 HG LEU 13 -2.161 -3.565 13.287 89 HD11 LEU 13 HD11 LEU 13 -0.564 -5.453 13.379 90 HD12 LEU 13 HD12 LEU 13 0.700 -4.348 13.920 91 HD13 LEU 13 HD13 LEU 13 0.008 -4.175 12.306 92 HD21 LEU 13 HD21 LEU 13 -2.426 -3.312 15.693 93 HD22 LEU 13 HD22 LEU 13 -0.730 -3.703 15.961 94 HD23 LEU 13 HD23 LEU 13 -1.836 -4.941 15.370 95 HA PRO 14 HA PRO 14 -0.203 0.945 17.402 96 HB2 PRO 14 HB2 PRO 14 0.688 3.370 15.940 97 HB3 PRO 14 HB1 PRO 14 1.624 2.283 16.983 98 HG2 PRO 14 HG2 PRO 14 1.962 2.341 14.322 99 HG3 PRO 14 HG1 PRO 14 2.128 0.844 15.258 100 HD2 PRO 14 HD2 PRO 14 -0.188 1.761 13.577 101 HD3 PRO 14 HD1 PRO 14 0.522 0.152 13.718 102 H LEU 15 HN LEU 15 -1.240 3.477 15.102 103 HA LEU 15 HA LEU 15 -2.661 4.992 17.018 104 HB2 LEU 15 HB2 LEU 15 -2.825 4.910 14.000 105 HB3 LEU 15 HB1 LEU 15 -3.686 6.086 14.988 106 HG LEU 15 HG LEU 15 -0.682 5.679 15.092 107 HD11 LEU 15 HD11 LEU 15 -1.238 6.464 12.877 108 HD12 LEU 15 HD12 LEU 15 -0.616 7.836 13.791 109 HD13 LEU 15 HD13 LEU 15 -2.351 7.667 13.528 110 HD21 LEU 15 HD21 LEU 15 -1.218 6.782 17.081 111 HD22 LEU 15 HD22 LEU 15 -2.625 7.586 16.389 112 HD23 LEU 15 HD23 LEU 15 -1.003 8.158 16.006 113 H LEU 16 HN LEU 16 -3.673 2.525 14.706 114 HA LEU 16 HA LEU 16 -6.447 2.758 15.084 115 HB2 LEU 16 HB2 LEU 16 -5.376 1.497 13.235 116 HB3 LEU 16 HB1 LEU 16 -4.842 0.287 14.398 117 HG LEU 16 HG LEU 16 -7.209 -0.172 14.990 118 HD11 LEU 16 HD11 LEU 16 -8.866 0.778 13.149 119 HD12 LEU 16 HD12 LEU 16 -7.660 2.059 13.016 120 HD13 LEU 16 HD13 LEU 16 -8.460 1.753 14.559 121 HD21 LEU 16 HD21 LEU 16 -7.824 -1.182 12.742 122 HD22 LEU 16 HD22 LEU 16 -6.208 -1.585 13.319 123 HD23 LEU 16 HD23 LEU 16 -6.418 -0.356 12.071 124 H ASN 17 HN ASN 17 -4.003 0.789 16.737 125 HA ASN 17 HA ASN 17 -5.772 -0.653 18.401 126 HB2 ASN 17 HB2 ASN 17 -2.850 0.066 18.593 127 HB3 ASN 17 HB1 ASN 17 -3.654 -0.810 19.895 128 HD21 ASN 17 HD21 ASN 17 -1.578 -2.065 18.437 129 HD22 ASN 17 HD22 ASN 17 -2.242 -3.306 17.488 130 H VAL 18 HN VAL 18 -4.119 2.454 18.820 131 HA VAL 18 HA VAL 18 -4.896 2.899 21.506 132 HB VAL 18 HB VAL 18 -4.193 4.831 19.283 133 HG11 VAL 18 HG11 VAL 18 -4.747 5.266 22.224 134 HG12 VAL 18 HG12 VAL 18 -5.459 6.107 20.847 135 HG13 VAL 18 HG13 VAL 18 -3.772 6.390 21.276 136 HG21 VAL 18 HG21 VAL 18 -2.018 4.866 20.296 137 HG22 VAL 18 HG22 VAL 18 -2.463 3.167 20.143 138 HG23 VAL 18 HG23 VAL 18 -2.590 3.975 21.705 139 H ILE 19 HN ILE 19 -6.341 3.846 18.405 140 HA ILE 19 HA ILE 19 -8.536 5.276 19.479 141 HB ILE 19 HB ILE 19 -8.175 3.837 16.838 142 HG12 ILE 19 HG12 ILE 19 -8.159 6.797 17.480 143 HG13 ILE 19 HG11 ILE 19 -6.694 5.817 17.436 144 HG21 ILE 19 HG21 ILE 19 -10.091 5.391 16.147 145 HG22 ILE 19 HG22 ILE 19 -10.394 5.619 17.870 146 HG23 ILE 19 HG23 ILE 19 -10.537 4.013 17.155 147 HD11 ILE 19 HD11 ILE 19 -7.314 7.062 15.272 148 HD12 ILE 19 HD12 ILE 19 -8.624 5.891 15.113 149 HD13 ILE 19 HD13 ILE 19 -6.947 5.343 15.123 150 H ALA 20 HN ALA 20 -8.102 1.902 18.500 151 HA ALA 20 HA ALA 20 -10.776 1.080 19.003 152 HB1 ALA 20 HB1 ALA 20 -8.283 -0.631 19.101 153 HB2 ALA 20 HB2 ALA 20 -9.105 -0.174 17.610 154 HB3 ALA 20 HB3 ALA 20 -9.936 -1.172 18.804 155 HN1 NH2 21 H2 NH2 21 -8.687 0.682 22.508 156 HN2 NH2 21 H1 NH2 21 -7.846 1.034 21.076 Start of MODEL 41 1 H1 ACE 0 HA2 ACE 0 3.718 -4.294 2.465 2 H2 ACE 0 HA3 ACE 0 2.617 -5.599 2.020 3 H3 ACE 0 HA1 ACE 0 2.703 -4.142 1.030 4 H LEU 1 HN LEU 1 3.290 -5.195 -0.870 5 HA LEU 1 HA LEU 1 5.319 -7.141 -1.108 6 HB2 LEU 1 HB2 LEU 1 4.169 -5.178 -3.097 7 HB3 LEU 1 HB1 LEU 1 5.316 -6.437 -3.538 8 HG LEU 1 HG LEU 1 2.708 -7.020 -2.108 9 HD11 LEU 1 HD11 LEU 1 1.846 -7.681 -4.353 10 HD12 LEU 1 HD12 LEU 1 3.310 -7.020 -5.081 11 HD13 LEU 1 HD13 LEU 1 2.184 -5.954 -4.241 12 HD21 LEU 1 HD21 LEU 1 3.194 -9.284 -3.360 13 HD22 LEU 1 HD22 LEU 1 4.084 -8.921 -1.886 14 HD23 LEU 1 HD23 LEU 1 4.847 -8.679 -3.456 15 H GLY 2 HN GLY 2 5.376 -3.610 -1.430 16 HA2 GLY 2 HA2 GLY 2 8.328 -3.682 -1.165 17 HA3 GLY 2 HA1 GLY 2 7.566 -2.700 -2.410 18 H LEU 3 HN LEU 3 6.130 -3.136 0.751 19 HA LEU 3 HA LEU 3 5.444 -1.539 2.269 20 HB2 LEU 3 HB2 LEU 3 8.358 -0.775 1.978 21 HB3 LEU 3 HB1 LEU 3 7.318 -0.390 3.350 22 HG LEU 3 HG LEU 3 7.994 -3.200 2.418 23 HD11 LEU 3 HD11 LEU 3 9.329 -3.280 4.522 24 HD12 LEU 3 HD12 LEU 3 9.009 -1.562 4.762 25 HD13 LEU 3 HD13 LEU 3 9.953 -2.098 3.371 26 HD21 LEU 3 HD21 LEU 3 5.920 -3.390 3.517 27 HD22 LEU 3 HD22 LEU 3 6.275 -2.068 4.630 28 HD23 LEU 3 HD23 LEU 3 7.058 -3.634 4.840 29 H LEU 4 HN LEU 4 5.230 -0.821 -0.586 30 HA LEU 4 HA LEU 4 5.882 1.911 -0.980 31 HB2 LEU 4 HB2 LEU 4 3.702 0.168 -2.156 32 HB3 LEU 4 HB1 LEU 4 4.031 1.808 -2.704 33 HG LEU 4 HG LEU 4 6.119 -0.391 -2.643 34 HD11 LEU 4 HD11 LEU 4 4.377 0.568 -4.932 35 HD12 LEU 4 HD12 LEU 4 4.323 -1.025 -4.177 36 HD13 LEU 4 HD13 LEU 4 5.745 -0.533 -5.099 37 HD21 LEU 4 HD21 LEU 4 6.033 2.453 -3.649 38 HD22 LEU 4 HD22 LEU 4 7.059 1.281 -4.474 39 HD23 LEU 4 HD23 LEU 4 7.312 1.621 -2.767 40 H SER 5 HN SER 5 3.111 0.216 0.341 41 HA SER 5 HA SER 5 1.939 2.768 1.278 42 HB2 SER 5 HB2 SER 5 0.703 0.871 -0.201 43 HB3 SER 5 HB1 SER 5 0.356 0.248 1.408 44 HG SER 5 HG SER 5 -0.693 2.367 0.117 45 H TYR 6 HN TYR 6 3.947 0.417 2.241 46 HA TYR 6 HA TYR 6 4.545 -0.553 4.229 47 HB2 TYR 6 HB2 TYR 6 5.017 1.828 4.663 48 HB3 TYR 6 HB1 TYR 6 3.387 2.027 5.303 49 HD1 TYR 6 HD2 TYR 6 6.522 0.039 5.749 50 HD2 TYR 6 HD1 TYR 6 2.927 1.525 7.574 51 HE1 TYR 6 HE2 TYR 6 7.302 -0.782 7.955 52 HE2 TYR 6 HE1 TYR 6 3.709 0.705 9.780 53 HH TYR 6 HH TYR 6 5.291 -1.084 10.618 54 H GLY 7 HN GLY 7 2.342 -1.717 3.388 55 HA2 GLY 7 HA2 GLY 7 0.735 -3.161 4.223 56 HA3 GLY 7 HA1 GLY 7 1.024 -2.498 5.829 57 H ALA 8 HN ALA 8 0.445 -0.244 3.322 58 HA ALA 8 HA ALA 8 -1.242 1.285 3.001 59 HB1 ALA 8 HB1 ALA 8 -2.267 -0.781 2.046 60 HB2 ALA 8 HB2 ALA 8 -3.448 0.368 2.675 61 HB3 ALA 8 HB3 ALA 8 -3.031 -1.069 3.607 62 H GLY 9 HN GLY 9 -0.485 0.217 5.935 63 HA2 GLY 9 HA2 GLY 9 -0.834 1.231 7.991 64 HA3 GLY 9 HA1 GLY 9 -2.079 2.231 7.251 65 H VAL 10 HN VAL 10 -2.143 -1.242 6.930 66 HA VAL 10 HA VAL 10 -4.777 -1.465 7.926 67 HB VAL 10 HB VAL 10 -2.620 -3.529 7.439 68 HG11 VAL 10 HG11 VAL 10 -4.630 -5.131 7.501 69 HG12 VAL 10 HG12 VAL 10 -5.486 -3.846 8.354 70 HG13 VAL 10 HG13 VAL 10 -4.034 -4.554 9.058 71 HG21 VAL 10 HG21 VAL 10 -3.780 -3.942 5.401 72 HG22 VAL 10 HG22 VAL 10 -3.715 -2.186 5.535 73 HG23 VAL 10 HG23 VAL 10 -5.200 -3.044 5.936 74 H ALA 11 HN ALA 11 -1.627 -2.218 9.400 75 HA ALA 11 HA ALA 11 -2.821 -2.998 11.913 76 HB1 ALA 11 HB1 ALA 11 0.018 -2.558 10.992 77 HB2 ALA 11 HB2 ALA 11 -0.779 -4.085 11.372 78 HB3 ALA 11 HB3 ALA 11 -0.380 -2.952 12.664 79 H SER 12 HN SER 12 -1.970 -0.059 10.432 80 HA SER 12 HA SER 12 -1.288 1.427 12.787 81 HB2 SER 12 HB2 SER 12 -0.562 2.126 10.534 82 HB3 SER 12 HB1 SER 12 -2.242 2.400 10.085 83 HG SER 12 HG SER 12 -0.565 4.023 11.374 84 H LEU 13 HN LEU 13 -4.141 0.049 11.886 85 HA LEU 13 HA LEU 13 -5.845 2.256 12.821 86 HB2 LEU 13 HB2 LEU 13 -6.225 -0.156 11.146 87 HB3 LEU 13 HB1 LEU 13 -7.571 0.193 12.226 88 HG LEU 13 HG LEU 13 -7.605 2.539 11.334 89 HD11 LEU 13 HD11 LEU 13 -5.856 1.563 9.076 90 HD12 LEU 13 HD12 LEU 13 -5.131 2.291 10.506 91 HD13 LEU 13 HD13 LEU 13 -6.265 3.215 9.528 92 HD21 LEU 13 HD21 LEU 13 -8.775 1.961 9.321 93 HD22 LEU 13 HD22 LEU 13 -9.012 0.615 10.435 94 HD23 LEU 13 HD23 LEU 13 -7.838 0.480 9.127 95 HA PRO 14 HA PRO 14 -7.268 -1.116 15.944 96 HB2 PRO 14 HB2 PRO 14 -5.713 -3.407 16.107 97 HB3 PRO 14 HB1 PRO 14 -7.179 -3.262 15.117 98 HG2 PRO 14 HG2 PRO 14 -4.319 -2.957 14.297 99 HG3 PRO 14 HG1 PRO 14 -5.632 -3.832 13.486 100 HD2 PRO 14 HD2 PRO 14 -4.891 -1.403 12.631 101 HD3 PRO 14 HD1 PRO 14 -6.608 -1.868 12.660 102 H LEU 15 HN LEU 15 -3.739 -1.054 15.426 103 HA LEU 15 HA LEU 15 -2.991 -1.271 18.133 104 HB2 LEU 15 HB2 LEU 15 -1.601 0.021 15.780 105 HB3 LEU 15 HB1 LEU 15 -0.847 -0.190 17.358 106 HG LEU 15 HG LEU 15 -2.030 -2.461 15.734 107 HD11 LEU 15 HD11 LEU 15 0.281 -3.032 15.137 108 HD12 LEU 15 HD12 LEU 15 0.874 -1.625 16.021 109 HD13 LEU 15 HD13 LEU 15 -0.109 -1.407 14.573 110 HD21 LEU 15 HD21 LEU 15 -0.281 -3.668 17.367 111 HD22 LEU 15 HD22 LEU 15 -1.919 -3.310 17.897 112 HD23 LEU 15 HD23 LEU 15 -0.591 -2.252 18.370 113 H LEU 16 HN LEU 16 -3.633 1.568 16.111 114 HA LEU 16 HA LEU 16 -2.981 3.481 18.108 115 HB2 LEU 16 HB2 LEU 16 -4.469 3.559 15.501 116 HB3 LEU 16 HB1 LEU 16 -4.559 4.951 16.579 117 HG LEU 16 HG LEU 16 -2.110 5.104 16.620 118 HD11 LEU 16 HD11 LEU 16 -0.896 3.631 14.863 119 HD12 LEU 16 HD12 LEU 16 -2.320 2.597 14.956 120 HD13 LEU 16 HD13 LEU 16 -1.348 2.885 16.396 121 HD21 LEU 16 HD21 LEU 16 -1.798 5.487 14.056 122 HD22 LEU 16 HD22 LEU 16 -3.014 6.441 14.904 123 HD23 LEU 16 HD23 LEU 16 -3.502 5.047 13.940 124 H ASN 17 HN ASN 17 -5.990 1.858 17.209 125 HA ASN 17 HA ASN 17 -7.737 3.373 18.816 126 HB2 ASN 17 HB2 ASN 17 -8.566 1.837 17.112 127 HB3 ASN 17 HB1 ASN 17 -7.894 0.465 17.991 128 HD21 ASN 17 HD21 ASN 17 -10.258 3.151 18.385 129 HD22 ASN 17 HD22 ASN 17 -11.267 2.300 19.454 130 H VAL 18 HN VAL 18 -5.796 0.491 19.520 131 HA VAL 18 HA VAL 18 -6.789 0.059 22.141 132 HB VAL 18 HB VAL 18 -4.148 -0.673 20.852 133 HG11 VAL 18 HG11 VAL 18 -3.720 -0.703 23.194 134 HG12 VAL 18 HG12 VAL 18 -4.113 -2.372 22.781 135 HG13 VAL 18 HG13 VAL 18 -5.321 -1.346 23.556 136 HG21 VAL 18 HG21 VAL 18 -6.361 -1.638 19.987 137 HG22 VAL 18 HG22 VAL 18 -6.506 -2.435 21.554 138 HG23 VAL 18 HG23 VAL 18 -5.147 -2.813 20.497 139 H ILE 19 HN ILE 19 -3.979 1.830 20.895 140 HA ILE 19 HA ILE 19 -2.979 2.671 23.405 141 HB ILE 19 HB ILE 19 -2.668 3.832 20.629 142 HG12 ILE 19 HG12 ILE 19 -0.724 2.264 22.340 143 HG13 ILE 19 HG11 ILE 19 -1.787 1.509 21.153 144 HG21 ILE 19 HG21 ILE 19 -1.396 4.571 23.271 145 HG22 ILE 19 HG22 ILE 19 -2.183 5.637 22.107 146 HG23 ILE 19 HG23 ILE 19 -0.615 4.925 21.729 147 HD11 ILE 19 HD11 ILE 19 -0.815 3.055 19.415 148 HD12 ILE 19 HD12 ILE 19 0.345 1.908 20.084 149 HD13 ILE 19 HD13 ILE 19 0.355 3.587 20.623 150 H ALA 20 HN ALA 20 -5.177 4.175 21.073 151 HA ALA 20 HA ALA 20 -5.538 6.541 22.715 152 HB1 ALA 20 HB1 ALA 20 -7.179 7.188 20.993 153 HB2 ALA 20 HB2 ALA 20 -7.013 5.601 20.242 154 HB3 ALA 20 HB3 ALA 20 -5.642 6.712 20.272 155 HN1 NH2 21 H2 NH2 21 -8.839 4.107 22.976 156 HN2 NH2 21 H1 NH2 21 -7.843 3.990 21.609 Start of MODEL 42 1 H1 ACE 0 HA2 ACE 0 2.609 -8.907 4.948 2 H2 ACE 0 HA3 ACE 0 2.021 -7.267 4.678 3 H3 ACE 0 HA1 ACE 0 3.710 -7.539 5.107 4 H LEU 1 HN LEU 1 5.121 -7.554 3.479 5 HA LEU 1 HA LEU 1 5.865 -7.285 1.297 6 HB2 LEU 1 HB2 LEU 1 4.412 -9.934 1.216 7 HB3 LEU 1 HB1 LEU 1 5.544 -9.387 -0.018 8 HG LEU 1 HG LEU 1 6.245 -9.630 2.921 9 HD11 LEU 1 HD11 LEU 1 5.745 -11.847 2.114 10 HD12 LEU 1 HD12 LEU 1 7.501 -11.688 2.158 11 HD13 LEU 1 HD13 LEU 1 6.643 -11.565 0.623 12 HD21 LEU 1 HD21 LEU 1 7.772 -8.938 0.413 13 HD22 LEU 1 HD22 LEU 1 8.610 -9.759 1.729 14 HD23 LEU 1 HD23 LEU 1 7.853 -8.196 2.011 15 H GLY 2 HN GLY 2 3.279 -5.997 1.768 16 HA2 GLY 2 HA2 GLY 2 2.606 -5.149 -0.764 17 HA3 GLY 2 HA1 GLY 2 1.565 -6.538 -0.468 18 H LEU 3 HN LEU 3 1.451 -5.976 2.441 19 HA LEU 3 HA LEU 3 -0.736 -4.051 2.343 20 HB2 LEU 3 HB2 LEU 3 0.348 -5.637 4.682 21 HB3 LEU 3 HB1 LEU 3 -1.175 -4.753 4.635 22 HG LEU 3 HG LEU 3 -0.466 -7.082 2.823 23 HD11 LEU 3 HD11 LEU 3 -1.921 -8.414 4.183 24 HD12 LEU 3 HD12 LEU 3 -2.475 -7.005 5.086 25 HD13 LEU 3 HD13 LEU 3 -0.825 -7.592 5.292 26 HD21 LEU 3 HD21 LEU 3 -2.874 -5.278 3.094 27 HD22 LEU 3 HD22 LEU 3 -3.068 -6.933 2.514 28 HD23 LEU 3 HD23 LEU 3 -2.048 -5.805 1.627 29 H LEU 4 HN LEU 4 2.554 -3.886 2.768 30 HA LEU 4 HA LEU 4 2.842 -2.084 4.924 31 HB2 LEU 4 HB2 LEU 4 4.534 -2.561 2.467 32 HB3 LEU 4 HB1 LEU 4 5.025 -1.520 3.799 33 HG LEU 4 HG LEU 4 4.247 -4.432 4.145 34 HD11 LEU 4 HD11 LEU 4 6.725 -4.803 4.365 35 HD12 LEU 4 HD12 LEU 4 6.974 -3.155 3.790 36 HD13 LEU 4 HD13 LEU 4 6.216 -4.350 2.738 37 HD21 LEU 4 HD21 LEU 4 5.338 -2.278 5.956 38 HD22 LEU 4 HD22 LEU 4 5.773 -3.958 6.262 39 HD23 LEU 4 HD23 LEU 4 4.083 -3.473 6.276 40 H SER 5 HN SER 5 2.322 -1.556 1.460 41 HA SER 5 HA SER 5 2.707 1.226 1.430 42 HB2 SER 5 HB2 SER 5 2.613 -0.163 -0.599 43 HB3 SER 5 HB1 SER 5 0.894 -0.436 -0.330 44 HG SER 5 HG SER 5 0.520 1.728 -0.645 45 H TYR 6 HN TYR 6 0.027 -0.636 2.620 46 HA TYR 6 HA TYR 6 -2.030 1.276 2.323 47 HB2 TYR 6 HB2 TYR 6 -1.593 -0.970 4.288 48 HB3 TYR 6 HB1 TYR 6 -3.013 0.068 4.374 49 HD1 TYR 6 HD1 TYR 6 -1.042 -1.816 1.784 50 HD2 TYR 6 HD2 TYR 6 -4.919 -0.637 3.211 51 HE1 TYR 6 HE1 TYR 6 -2.108 -3.149 -0.012 52 HE2 TYR 6 HE2 TYR 6 -5.985 -1.969 1.411 53 HH TYR 6 HH TYR 6 -5.510 -2.934 -0.687 54 H GLY 7 HN GLY 7 0.347 0.759 4.910 55 HA2 GLY 7 HA2 GLY 7 1.057 3.140 5.725 56 HA3 GLY 7 HA1 GLY 7 -0.604 3.177 6.306 57 H ALA 8 HN ALA 8 2.060 0.792 6.313 58 HA ALA 8 HA ALA 8 1.321 -0.075 8.998 59 HB1 ALA 8 HB1 ALA 8 1.982 -1.752 7.329 60 HB2 ALA 8 HB2 ALA 8 3.107 -1.742 8.689 61 HB3 ALA 8 HB3 ALA 8 3.558 -0.976 7.164 62 H GLY 9 HN GLY 9 2.988 2.486 7.855 63 HA2 GLY 9 HA2 GLY 9 4.886 2.515 10.147 64 HA3 GLY 9 HA1 GLY 9 5.270 3.209 8.574 65 H VAL 10 HN VAL 10 2.212 3.890 8.656 66 HA VAL 10 HA VAL 10 2.514 6.629 9.273 67 HB VAL 10 HB VAL 10 0.018 4.943 8.988 68 HG11 VAL 10 HG11 VAL 10 -1.022 7.216 8.507 69 HG12 VAL 10 HG12 VAL 10 0.444 7.934 9.175 70 HG13 VAL 10 HG13 VAL 10 -0.587 6.928 10.191 71 HG21 VAL 10 HG21 VAL 10 1.508 5.060 6.993 72 HG22 VAL 10 HG22 VAL 10 1.419 6.819 7.058 73 HG23 VAL 10 HG23 VAL 10 -0.032 5.874 6.723 74 H ALA 11 HN ALA 11 1.122 3.912 11.055 75 HA ALA 11 HA ALA 11 1.118 3.598 13.374 76 HB1 ALA 11 HB1 ALA 11 1.229 6.558 13.900 77 HB2 ALA 11 HB2 ALA 11 2.703 5.692 13.459 78 HB3 ALA 11 HB3 ALA 11 1.801 5.223 14.900 79 H SER 12 HN SER 12 -0.757 5.627 11.427 80 HA SER 12 HA SER 12 -2.928 5.955 13.354 81 HB2 SER 12 HB2 SER 12 -2.947 6.616 10.408 82 HB3 SER 12 HB1 SER 12 -4.015 7.242 11.660 83 HG SER 12 HG SER 12 -2.518 8.611 12.238 84 H LEU 13 HN LEU 13 -1.856 3.556 11.254 85 HA LEU 13 HA LEU 13 -4.581 2.441 10.922 86 HB2 LEU 13 HB2 LEU 13 -2.230 2.586 9.157 87 HB3 LEU 13 HB1 LEU 13 -2.915 0.965 9.240 88 HG LEU 13 HG LEU 13 -5.163 1.952 8.718 89 HD11 LEU 13 HD11 LEU 13 -3.481 4.458 8.507 90 HD12 LEU 13 HD12 LEU 13 -4.949 4.212 9.452 91 HD13 LEU 13 HD13 LEU 13 -5.037 4.302 7.694 92 HD21 LEU 13 HD21 LEU 13 -4.548 2.558 6.318 93 HD22 LEU 13 HD22 LEU 13 -3.943 1.001 6.886 94 HD23 LEU 13 HD23 LEU 13 -2.860 2.390 6.801 95 HA PRO 14 HA PRO 14 -2.186 -1.279 12.561 96 HB2 PRO 14 HB2 PRO 14 0.410 -1.129 13.315 97 HB3 PRO 14 HB1 PRO 14 -0.072 -1.324 11.617 98 HG2 PRO 14 HG2 PRO 14 0.867 1.115 13.046 99 HG3 PRO 14 HG1 PRO 14 1.174 0.594 11.381 100 HD2 PRO 14 HD2 PRO 14 -0.746 2.496 12.148 101 HD3 PRO 14 HD1 PRO 14 -0.713 1.645 10.592 102 H LEU 15 HN LEU 15 -0.369 1.243 14.345 103 HA LEU 15 HA LEU 15 -0.843 0.125 16.887 104 HB2 LEU 15 HB2 LEU 15 -0.073 2.920 16.040 105 HB3 LEU 15 HB1 LEU 15 -0.132 2.401 17.724 106 HG LEU 15 HG LEU 15 1.514 1.008 15.590 107 HD11 LEU 15 HD11 LEU 15 2.217 3.217 17.527 108 HD12 LEU 15 HD12 LEU 15 2.475 3.168 15.782 109 HD13 LEU 15 HD13 LEU 15 3.443 2.149 16.846 110 HD21 LEU 15 HD21 LEU 15 1.148 0.672 18.562 111 HD22 LEU 15 HD22 LEU 15 2.730 0.327 17.864 112 HD23 LEU 15 HD23 LEU 15 1.314 -0.557 17.309 113 H LEU 16 HN LEU 16 -2.531 2.656 15.081 114 HA LEU 16 HA LEU 16 -4.276 3.457 17.134 115 HB2 LEU 16 HB2 LEU 16 -3.964 4.748 15.065 116 HB3 LEU 16 HB1 LEU 16 -4.727 3.458 14.139 117 HG LEU 16 HG LEU 16 -6.828 3.787 15.383 118 HD11 LEU 16 HD11 LEU 16 -6.857 6.030 16.770 119 HD12 LEU 16 HD12 LEU 16 -5.124 5.738 16.923 120 HD13 LEU 16 HD13 LEU 16 -6.278 4.548 17.527 121 HD21 LEU 16 HD21 LEU 16 -7.305 6.130 14.553 122 HD22 LEU 16 HD22 LEU 16 -6.584 5.061 13.352 123 HD23 LEU 16 HD23 LEU 16 -5.591 6.270 14.164 124 H ASN 17 HN ASN 17 -4.514 0.891 14.710 125 HA ASN 17 HA ASN 17 -7.184 0.139 15.194 126 HB2 ASN 17 HB2 ASN 17 -5.941 -0.649 13.245 127 HB3 ASN 17 HB1 ASN 17 -4.844 -1.552 14.286 128 HD21 ASN 17 HD21 ASN 17 -6.212 -3.026 12.386 129 HD22 ASN 17 HD22 ASN 17 -7.435 -3.946 13.120 130 H VAL 18 HN VAL 18 -4.151 -0.842 16.744 131 HA VAL 18 HA VAL 18 -5.191 -2.925 18.331 132 HB VAL 18 HB VAL 18 -2.862 -1.049 18.800 133 HG11 VAL 18 HG11 VAL 18 -3.436 -1.904 20.953 134 HG12 VAL 18 HG12 VAL 18 -2.131 -2.936 20.371 135 HG13 VAL 18 HG13 VAL 18 -3.798 -3.503 20.303 136 HG21 VAL 18 HG21 VAL 18 -1.572 -3.093 18.114 137 HG22 VAL 18 HG22 VAL 18 -2.595 -2.451 16.830 138 HG23 VAL 18 HG23 VAL 18 -3.103 -3.879 17.732 139 H ILE 19 HN ILE 19 -4.771 0.544 19.000 140 HA ILE 19 HA ILE 19 -5.866 0.467 21.622 141 HB ILE 19 HB ILE 19 -5.811 2.787 19.678 142 HG12 ILE 19 HG12 ILE 19 -3.563 1.884 19.939 143 HG13 ILE 19 HG11 ILE 19 -3.685 3.389 20.843 144 HG21 ILE 19 HG21 ILE 19 -7.259 3.269 21.532 145 HG22 ILE 19 HG22 ILE 19 -5.735 4.103 21.835 146 HG23 ILE 19 HG23 ILE 19 -6.103 2.601 22.684 147 HD11 ILE 19 HD11 ILE 19 -4.317 1.806 22.856 148 HD12 ILE 19 HD12 ILE 19 -2.630 1.990 22.389 149 HD13 ILE 19 HD13 ILE 19 -3.536 0.570 21.873 150 H ALA 20 HN ALA 20 -7.239 1.143 18.429 151 HA ALA 20 HA ALA 20 -9.897 1.592 19.466 152 HB1 ALA 20 HB1 ALA 20 -8.833 1.218 16.659 153 HB2 ALA 20 HB2 ALA 20 -9.265 2.739 17.443 154 HB3 ALA 20 HB3 ALA 20 -10.521 1.570 17.034 155 HN1 NH2 21 H2 NH2 21 -9.382 -2.320 18.727 156 HN2 NH2 21 H1 NH2 21 -8.082 -1.236 18.839 Start of MODEL 43 1 H1 ACE 0 HA2 ACE 0 6.177 -6.354 -0.920 2 H2 ACE 0 HA3 ACE 0 6.356 -4.669 -0.430 3 H3 ACE 0 HA1 ACE 0 7.630 -5.456 -1.361 4 H LEU 1 HN LEU 1 4.187 -5.834 -1.965 5 HA LEU 1 HA LEU 1 4.408 -5.290 -4.729 6 HB2 LEU 1 HB2 LEU 1 2.028 -5.354 -2.868 7 HB3 LEU 1 HB1 LEU 1 1.880 -5.152 -4.611 8 HG LEU 1 HG LEU 1 3.349 -7.477 -3.329 9 HD11 LEU 1 HD11 LEU 1 1.001 -7.520 -2.622 10 HD12 LEU 1 HD12 LEU 1 1.303 -8.798 -3.799 11 HD13 LEU 1 HD13 LEU 1 0.478 -7.322 -4.296 12 HD21 LEU 1 HD21 LEU 1 4.042 -7.391 -5.574 13 HD22 LEU 1 HD22 LEU 1 2.499 -6.756 -6.136 14 HD23 LEU 1 HD23 LEU 1 2.642 -8.451 -5.681 15 H GLY 2 HN GLY 2 3.378 -3.292 -1.990 16 HA2 GLY 2 HA2 GLY 2 4.307 -0.872 -2.691 17 HA3 GLY 2 HA1 GLY 2 2.867 -0.991 -3.698 18 H LEU 3 HN LEU 3 1.475 -2.634 -1.652 19 HA LEU 3 HA LEU 3 0.467 -0.417 -0.040 20 HB2 LEU 3 HB2 LEU 3 -0.465 -3.282 -0.343 21 HB3 LEU 3 HB1 LEU 3 -1.281 -2.060 0.628 22 HG LEU 3 HG LEU 3 -0.737 -1.796 -2.346 23 HD11 LEU 3 HD11 LEU 3 -3.212 -2.657 -0.828 24 HD12 LEU 3 HD12 LEU 3 -2.310 -3.597 -2.016 25 HD13 LEU 3 HD13 LEU 3 -3.226 -2.178 -2.524 26 HD21 LEU 3 HD21 LEU 3 -2.694 -0.050 -1.937 27 HD22 LEU 3 HD22 LEU 3 -1.030 0.401 -1.590 28 HD23 LEU 3 HD23 LEU 3 -2.102 -0.077 -0.275 29 H LEU 4 HN LEU 4 2.869 -2.688 0.273 30 HA LEU 4 HA LEU 4 2.551 -3.623 2.917 31 HB2 LEU 4 HB2 LEU 4 4.238 -4.325 1.064 32 HB3 LEU 4 HB1 LEU 4 5.235 -3.011 1.677 33 HG LEU 4 HG LEU 4 4.133 -5.247 3.411 34 HD11 LEU 4 HD11 LEU 4 6.840 -4.945 2.084 35 HD12 LEU 4 HD12 LEU 4 5.644 -6.203 1.772 36 HD13 LEU 4 HD13 LEU 4 6.467 -6.137 3.330 37 HD21 LEU 4 HD21 LEU 4 5.877 -2.849 3.891 38 HD22 LEU 4 HD22 LEU 4 6.295 -4.334 4.744 39 HD23 LEU 4 HD23 LEU 4 4.703 -3.622 4.955 40 H SER 5 HN SER 5 4.126 -0.743 1.584 41 HA SER 5 HA SER 5 4.940 0.251 4.168 42 HB2 SER 5 HB2 SER 5 6.238 0.758 2.139 43 HB3 SER 5 HB1 SER 5 4.857 1.624 1.473 44 HG SER 5 HG SER 5 6.717 2.616 2.977 45 H TYR 6 HN TYR 6 1.976 0.054 2.722 46 HA TYR 6 HA TYR 6 0.842 2.601 3.025 47 HB2 TYR 6 HB2 TYR 6 -0.261 0.679 1.894 48 HB3 TYR 6 HB1 TYR 6 -0.511 -0.069 3.471 49 HD1 TYR 6 HD1 TYR 6 -2.058 0.927 5.115 50 HD2 TYR 6 HD2 TYR 6 -1.545 2.606 1.196 51 HE1 TYR 6 HE1 TYR 6 -4.135 2.250 5.409 52 HE2 TYR 6 HE2 TYR 6 -3.619 3.930 1.489 53 HH TYR 6 HH TYR 6 -4.962 4.669 4.185 54 H GLY 7 HN GLY 7 1.000 -0.114 5.328 55 HA2 GLY 7 HA2 GLY 7 0.161 1.708 7.508 56 HA3 GLY 7 HA1 GLY 7 0.054 -0.053 7.552 57 H ALA 8 HN ALA 8 2.930 0.831 6.108 58 HA ALA 8 HA ALA 8 5.123 0.770 6.776 59 HB1 ALA 8 HB1 ALA 8 4.192 2.694 8.237 60 HB2 ALA 8 HB2 ALA 8 5.727 1.962 8.703 61 HB3 ALA 8 HB3 ALA 8 4.245 1.523 9.554 62 H GLY 9 HN GLY 9 2.697 -1.105 8.047 63 HA2 GLY 9 HA2 GLY 9 4.097 -3.448 8.339 64 HA3 GLY 9 HA1 GLY 9 4.046 -2.710 9.946 65 H VAL 10 HN VAL 10 1.694 -1.436 9.979 66 HA VAL 10 HA VAL 10 -0.461 -3.229 9.179 67 HB VAL 10 HB VAL 10 0.017 -2.511 12.073 68 HG11 VAL 10 HG11 VAL 10 -2.136 -4.027 10.593 69 HG12 VAL 10 HG12 VAL 10 -2.319 -2.652 11.680 70 HG13 VAL 10 HG13 VAL 10 -1.868 -4.230 12.326 71 HG21 VAL 10 HG21 VAL 10 0.411 -5.065 10.510 72 HG22 VAL 10 HG22 VAL 10 0.283 -5.030 12.268 73 HG23 VAL 10 HG23 VAL 10 1.606 -4.185 11.461 74 H ALA 11 HN ALA 11 -0.252 -0.769 11.728 75 HA ALA 11 HA ALA 11 -1.282 1.258 12.006 76 HB1 ALA 11 HB1 ALA 11 -0.050 1.685 9.819 77 HB2 ALA 11 HB2 ALA 11 -1.444 2.714 10.144 78 HB3 ALA 11 HB3 ALA 11 -1.587 1.372 9.011 79 H SER 12 HN SER 12 -2.795 -1.361 10.534 80 HA SER 12 HA SER 12 -5.437 -0.122 10.356 81 HB2 SER 12 HB2 SER 12 -6.161 -2.258 9.476 82 HB3 SER 12 HB1 SER 12 -4.675 -1.785 8.660 83 HG SER 12 HG SER 12 -5.089 -3.723 10.669 84 H LEU 13 HN LEU 13 -3.598 -1.141 12.836 85 HA LEU 13 HA LEU 13 -5.923 -1.687 14.500 86 HB2 LEU 13 HB2 LEU 13 -4.215 -3.799 13.558 87 HB3 LEU 13 HB1 LEU 13 -3.957 -3.640 15.289 88 HG LEU 13 HG LEU 13 -6.730 -3.806 14.074 89 HD11 LEU 13 HD11 LEU 13 -5.009 -6.051 15.170 90 HD12 LEU 13 HD12 LEU 13 -5.452 -5.833 13.477 91 HD13 LEU 13 HD13 LEU 13 -6.696 -6.194 14.675 92 HD21 LEU 13 HD21 LEU 13 -5.781 -4.553 16.850 93 HD22 LEU 13 HD22 LEU 13 -7.431 -4.237 16.311 94 HD23 LEU 13 HD23 LEU 13 -6.279 -2.910 16.451 95 HA PRO 14 HA PRO 14 -2.009 -0.904 17.328 96 HB2 PRO 14 HB2 PRO 14 -0.312 0.489 15.283 97 HB3 PRO 14 HB1 PRO 14 0.180 -0.551 16.637 98 HG2 PRO 14 HG2 PRO 14 0.228 -1.483 14.167 99 HG3 PRO 14 HG1 PRO 14 -0.357 -2.504 15.496 100 HD2 PRO 14 HD2 PRO 14 -1.941 -1.032 13.414 101 HD3 PRO 14 HD1 PRO 14 -2.212 -2.657 14.086 102 H LEU 15 HN LEU 15 -2.563 1.407 14.649 103 HA LEU 15 HA LEU 15 -2.442 3.738 16.257 104 HB2 LEU 15 HB2 LEU 15 -3.812 3.212 13.612 105 HB3 LEU 15 HB1 LEU 15 -3.689 4.806 14.350 106 HG LEU 15 HG LEU 15 -1.309 3.049 13.673 107 HD11 LEU 15 HD11 LEU 15 -2.687 3.927 11.707 108 HD12 LEU 15 HD12 LEU 15 -0.985 4.389 11.723 109 HD13 LEU 15 HD13 LEU 15 -2.218 5.545 12.226 110 HD21 LEU 15 HD21 LEU 15 -1.646 5.782 14.899 111 HD22 LEU 15 HD22 LEU 15 -0.246 5.486 13.869 112 HD23 LEU 15 HD23 LEU 15 -0.498 4.506 15.309 113 H LEU 16 HN LEU 16 -5.110 1.665 15.225 114 HA LEU 16 HA LEU 16 -7.208 3.205 16.327 115 HB2 LEU 16 HB2 LEU 16 -7.146 0.203 15.963 116 HB3 LEU 16 HB1 LEU 16 -8.573 1.239 16.029 117 HG LEU 16 HG LEU 16 -6.409 1.336 13.904 118 HD11 LEU 16 HD11 LEU 16 -7.838 -0.629 13.675 119 HD12 LEU 16 HD12 LEU 16 -8.245 0.540 12.420 120 HD13 LEU 16 HD13 LEU 16 -9.283 0.369 13.835 121 HD21 LEU 16 HD21 LEU 16 -7.208 3.543 14.031 122 HD22 LEU 16 HD22 LEU 16 -8.840 3.035 14.469 123 HD23 LEU 16 HD23 LEU 16 -8.266 2.835 12.813 124 H ASN 17 HN ASN 17 -5.169 0.645 17.645 125 HA ASN 17 HA ASN 17 -6.551 0.228 20.060 126 HB2 ASN 17 HB2 ASN 17 -4.698 -1.203 19.135 127 HB3 ASN 17 HB1 ASN 17 -3.561 0.039 19.657 128 HD21 ASN 17 HD21 ASN 17 -2.551 -1.152 21.363 129 HD22 ASN 17 HD22 ASN 17 -3.394 -1.674 22.742 130 H VAL 18 HN VAL 18 -4.012 2.540 19.176 131 HA VAL 18 HA VAL 18 -3.591 3.613 21.756 132 HB VAL 18 HB VAL 18 -3.256 4.844 19.010 133 HG11 VAL 18 HG11 VAL 18 -3.433 6.677 20.538 134 HG12 VAL 18 HG12 VAL 18 -1.706 6.417 20.291 135 HG13 VAL 18 HG13 VAL 18 -2.483 5.835 21.763 136 HG21 VAL 18 HG21 VAL 18 -1.220 3.735 20.966 137 HG22 VAL 18 HG22 VAL 18 -0.911 4.292 19.321 138 HG23 VAL 18 HG23 VAL 18 -1.864 2.832 19.594 139 H ILE 19 HN ILE 19 -5.740 4.584 19.100 140 HA ILE 19 HA ILE 19 -6.897 6.814 20.412 141 HB ILE 19 HB ILE 19 -7.949 5.003 18.224 142 HG12 ILE 19 HG12 ILE 19 -5.929 6.255 17.611 143 HG13 ILE 19 HG11 ILE 19 -7.323 6.885 16.744 144 HG21 ILE 19 HG21 ILE 19 -9.887 6.000 19.137 145 HG22 ILE 19 HG22 ILE 19 -9.462 7.036 17.775 146 HG23 ILE 19 HG23 ILE 19 -9.069 7.536 19.419 147 HD11 ILE 19 HD11 ILE 19 -7.410 8.543 18.859 148 HD12 ILE 19 HD12 ILE 19 -6.398 8.875 17.459 149 HD13 ILE 19 HD13 ILE 19 -5.692 8.153 18.902 150 H ALA 20 HN ALA 20 -7.812 3.403 20.177 151 HA ALA 20 HA ALA 20 -10.176 3.710 21.792 152 HB1 ALA 20 HB1 ALA 20 -10.115 1.182 21.790 153 HB2 ALA 20 HB2 ALA 20 -8.643 1.292 20.823 154 HB3 ALA 20 HB3 ALA 20 -10.161 1.926 20.191 155 HN1 NH2 21 H2 NH2 21 -6.979 2.892 24.143 156 HN2 NH2 21 H1 NH2 21 -6.791 3.188 22.482 Start of MODEL 44 1 H1 ACE 0 HA2 ACE 0 6.818 -1.110 -2.568 2 H2 ACE 0 HA3 ACE 0 5.065 -1.161 -2.383 3 H3 ACE 0 HA1 ACE 0 5.779 -1.137 -3.995 4 H LEU 1 HN LEU 1 4.122 -3.111 -3.805 5 HA LEU 1 HA LEU 1 3.792 -5.400 -3.695 6 HB2 LEU 1 HB2 LEU 1 6.674 -5.209 -4.580 7 HB3 LEU 1 HB1 LEU 1 5.720 -6.686 -4.660 8 HG LEU 1 HG LEU 1 4.899 -4.090 -5.995 9 HD11 LEU 1 HD11 LEU 1 5.643 -5.298 -8.103 10 HD12 LEU 1 HD12 LEU 1 6.425 -6.481 -7.055 11 HD13 LEU 1 HD13 LEU 1 6.957 -4.800 -7.035 12 HD21 LEU 1 HD21 LEU 1 3.584 -5.894 -7.395 13 HD22 LEU 1 HD22 LEU 1 2.953 -5.411 -5.827 14 HD23 LEU 1 HD23 LEU 1 3.846 -6.922 -5.986 15 H GLY 2 HN GLY 2 4.765 -4.052 -1.226 16 HA2 GLY 2 HA2 GLY 2 5.625 -6.480 0.207 17 HA3 GLY 2 HA1 GLY 2 6.574 -5.006 0.405 18 H LEU 3 HN LEU 3 3.083 -5.187 -0.001 19 HA LEU 3 HA LEU 3 1.385 -4.284 1.275 20 HB2 LEU 3 HB2 LEU 3 2.978 -5.645 3.463 21 HB3 LEU 3 HB1 LEU 3 1.293 -5.146 3.582 22 HG LEU 3 HG LEU 3 2.373 -7.142 1.566 23 HD11 LEU 3 HD11 LEU 3 0.661 -7.609 4.025 24 HD12 LEU 3 HD12 LEU 3 2.397 -7.910 3.963 25 HD13 LEU 3 HD13 LEU 3 1.304 -8.840 2.938 26 HD21 LEU 3 HD21 LEU 3 -0.240 -7.597 1.506 27 HD22 LEU 3 HD22 LEU 3 0.437 -6.277 0.561 28 HD23 LEU 3 HD23 LEU 3 -0.346 -5.944 2.106 29 H LEU 4 HN LEU 4 4.110 -2.844 1.067 30 HA LEU 4 HA LEU 4 4.508 -1.336 3.421 31 HB2 LEU 4 HB2 LEU 4 5.135 -0.785 0.519 32 HB3 LEU 4 HB1 LEU 4 5.643 0.285 1.821 33 HG LEU 4 HG LEU 4 6.287 -2.676 1.748 34 HD11 LEU 4 HD11 LEU 4 7.352 -1.754 -0.179 35 HD12 LEU 4 HD12 LEU 4 8.599 -1.862 1.063 36 HD13 LEU 4 HD13 LEU 4 7.850 -0.308 0.698 37 HD21 LEU 4 HD21 LEU 4 6.649 -2.012 3.955 38 HD22 LEU 4 HD22 LEU 4 7.073 -0.359 3.510 39 HD23 LEU 4 HD23 LEU 4 8.226 -1.668 3.257 40 H SER 5 HN SER 5 2.530 -0.764 0.545 41 HA SER 5 HA SER 5 1.673 1.847 1.203 42 HB2 SER 5 HB2 SER 5 -0.132 1.415 -0.429 43 HB3 SER 5 HB1 SER 5 1.444 0.926 -1.042 44 HG SER 5 HG SER 5 0.512 -0.928 -1.334 45 H TYR 6 HN TYR 6 0.243 -1.344 1.839 46 HA TYR 6 HA TYR 6 -2.080 -0.348 3.152 47 HB2 TYR 6 HB2 TYR 6 -0.690 -3.032 3.206 48 HB3 TYR 6 HB1 TYR 6 -2.195 -2.715 4.068 49 HD1 TYR 6 HD2 TYR 6 -4.261 -2.134 2.829 50 HD2 TYR 6 HD1 TYR 6 -0.631 -3.206 0.794 51 HE1 TYR 6 HE2 TYR 6 -5.539 -2.490 0.739 52 HE2 TYR 6 HE1 TYR 6 -1.912 -3.560 -1.302 53 HH TYR 6 HH TYR 6 -4.654 -2.381 -1.992 54 H GLY 7 HN GLY 7 1.106 -1.397 4.277 55 HA2 GLY 7 HA2 GLY 7 0.566 -1.213 7.056 56 HA3 GLY 7 HA1 GLY 7 2.165 -1.178 6.312 57 H ALA 8 HN ALA 8 1.593 1.088 4.613 58 HA ALA 8 HA ALA 8 2.450 3.175 6.253 59 HB1 ALA 8 HB1 ALA 8 0.930 3.557 3.674 60 HB2 ALA 8 HB2 ALA 8 2.607 3.015 3.716 61 HB3 ALA 8 HB3 ALA 8 2.172 4.600 4.361 62 H GLY 9 HN GLY 9 -0.716 1.957 5.600 63 HA2 GLY 9 HA2 GLY 9 -2.039 4.323 6.769 64 HA3 GLY 9 HA1 GLY 9 -2.831 2.999 5.920 65 H VAL 10 HN VAL 10 -2.246 0.776 7.062 66 HA VAL 10 HA VAL 10 -3.582 0.793 9.555 67 HB VAL 10 HB VAL 10 -1.922 -1.348 8.206 68 HG11 VAL 10 HG11 VAL 10 -2.011 -1.885 10.555 69 HG12 VAL 10 HG12 VAL 10 -3.236 -2.870 9.757 70 HG13 VAL 10 HG13 VAL 10 -3.711 -1.426 10.652 71 HG21 VAL 10 HG21 VAL 10 -4.158 -2.265 7.644 72 HG22 VAL 10 HG22 VAL 10 -3.913 -0.662 6.951 73 HG23 VAL 10 HG23 VAL 10 -4.911 -0.858 8.393 74 H ALA 11 HN ALA 11 -0.145 0.444 8.706 75 HA ALA 11 HA ALA 11 1.754 0.561 9.980 76 HB1 ALA 11 HB1 ALA 11 1.129 2.845 10.396 77 HB2 ALA 11 HB2 ALA 11 1.649 2.154 11.931 78 HB3 ALA 11 HB3 ALA 11 -0.068 2.356 11.594 79 H SER 12 HN SER 12 0.017 -1.651 10.371 80 HA SER 12 HA SER 12 -0.152 -3.488 11.736 81 HB2 SER 12 HB2 SER 12 1.712 -2.174 13.698 82 HB3 SER 12 HB1 SER 12 1.521 -3.885 13.330 83 HG SER 12 HG SER 12 3.395 -2.940 12.362 84 H LEU 13 HN LEU 13 -1.627 -0.810 12.195 85 HA LEU 13 HA LEU 13 -3.203 0.032 13.640 86 HB2 LEU 13 HB2 LEU 13 -3.943 -2.429 13.179 87 HB3 LEU 13 HB1 LEU 13 -3.404 -2.730 14.827 88 HG LEU 13 HG LEU 13 -4.901 -0.582 15.365 89 HD11 LEU 13 HD11 LEU 13 -6.866 -0.441 13.914 90 HD12 LEU 13 HD12 LEU 13 -6.225 -1.716 12.879 91 HD13 LEU 13 HD13 LEU 13 -5.412 -0.153 12.959 92 HD21 LEU 13 HD21 LEU 13 -6.136 -3.284 14.740 93 HD22 LEU 13 HD22 LEU 13 -6.785 -2.072 15.846 94 HD23 LEU 13 HD23 LEU 13 -5.272 -2.894 16.227 95 HA PRO 14 HA PRO 14 -0.489 0.059 17.366 96 HB2 PRO 14 HB2 PRO 14 0.939 2.323 16.913 97 HB3 PRO 14 HB1 PRO 14 1.379 0.771 16.171 98 HG2 PRO 14 HG2 PRO 14 0.197 3.164 14.919 99 HG3 PRO 14 HG1 PRO 14 1.093 1.838 14.176 100 HD2 PRO 14 HD2 PRO 14 -1.802 2.193 14.304 101 HD3 PRO 14 HD1 PRO 14 -0.888 0.918 13.470 102 H LEU 15 HN LEU 15 -1.034 3.368 16.214 103 HA LEU 15 HA LEU 15 -1.949 4.341 18.697 104 HB2 LEU 15 HB2 LEU 15 -2.183 5.464 15.896 105 HB3 LEU 15 HB1 LEU 15 -2.639 6.351 17.349 106 HG LEU 15 HG LEU 15 0.109 5.148 16.902 107 HD11 LEU 15 HD11 LEU 15 -0.363 6.891 15.230 108 HD12 LEU 15 HD12 LEU 15 0.840 7.450 16.393 109 HD13 LEU 15 HD13 LEU 15 -0.830 8.008 16.511 110 HD21 LEU 15 HD21 LEU 15 0.002 5.479 19.201 111 HD22 LEU 15 HD22 LEU 15 -1.169 6.790 19.077 112 HD23 LEU 15 HD23 LEU 15 0.527 7.086 18.706 113 H LEU 16 HN LEU 16 -3.640 3.247 15.790 114 HA LEU 16 HA LEU 16 -6.241 4.012 16.555 115 HB2 LEU 16 HB2 LEU 16 -5.123 1.943 14.678 116 HB3 LEU 16 HB1 LEU 16 -6.858 1.997 14.988 117 HG LEU 16 HG LEU 16 -6.876 4.396 14.325 118 HD11 LEU 16 HD11 LEU 16 -4.660 5.122 14.814 119 HD12 LEU 16 HD12 LEU 16 -4.769 5.146 13.054 120 HD13 LEU 16 HD13 LEU 16 -3.943 3.817 13.868 121 HD21 LEU 16 HD21 LEU 16 -6.532 4.004 11.916 122 HD22 LEU 16 HD22 LEU 16 -7.346 2.626 12.659 123 HD23 LEU 16 HD23 LEU 16 -5.626 2.535 12.278 124 H ASN 17 HN ASN 17 -4.343 1.092 17.216 125 HA ASN 17 HA ASN 17 -6.417 -0.412 18.405 126 HB2 ASN 17 HB2 ASN 17 -4.283 -1.432 17.757 127 HB3 ASN 17 HB1 ASN 17 -3.440 -0.463 18.964 128 HD21 ASN 17 HD21 ASN 17 -3.198 -3.216 19.222 129 HD22 ASN 17 HD22 ASN 17 -4.129 -3.768 20.530 130 H VAL 18 HN VAL 18 -4.078 1.893 19.741 131 HA VAL 18 HA VAL 18 -4.841 1.617 22.459 132 HB VAL 18 HB VAL 18 -3.608 3.963 20.993 133 HG11 VAL 18 HG11 VAL 18 -4.031 3.389 23.934 134 HG12 VAL 18 HG12 VAL 18 -4.556 4.807 23.025 135 HG13 VAL 18 HG13 VAL 18 -2.842 4.554 23.356 136 HG21 VAL 18 HG21 VAL 18 -2.288 1.857 20.959 137 HG22 VAL 18 HG22 VAL 18 -2.367 1.791 22.720 138 HG23 VAL 18 HG23 VAL 18 -1.505 3.110 21.923 139 H ILE 19 HN ILE 19 -5.824 3.877 19.904 140 HA ILE 19 HA ILE 19 -7.633 5.385 21.473 141 HB ILE 19 HB ILE 19 -7.519 4.877 18.488 142 HG12 ILE 19 HG12 ILE 19 -6.728 7.328 20.085 143 HG13 ILE 19 HG11 ILE 19 -5.589 6.046 19.670 144 HG21 ILE 19 HG21 ILE 19 -8.911 7.002 18.407 145 HG22 ILE 19 HG22 ILE 19 -9.196 6.789 20.135 146 HG23 ILE 19 HG23 ILE 19 -9.764 5.574 18.987 147 HD11 ILE 19 HD11 ILE 19 -7.151 7.789 17.744 148 HD12 ILE 19 HD12 ILE 19 -6.211 6.380 17.251 149 HD13 ILE 19 HD13 ILE 19 -5.404 7.766 17.985 150 H ALA 20 HN ALA 20 -8.032 2.543 19.397 151 HA ALA 20 HA ALA 20 -10.871 2.345 19.942 152 HB1 ALA 20 HB1 ALA 20 -9.898 1.617 17.783 153 HB2 ALA 20 HB2 ALA 20 -10.778 0.323 18.594 154 HB3 ALA 20 HB3 ALA 20 -9.015 0.346 18.629 155 HN1 NH2 21 H2 NH2 21 -8.769 0.229 22.640 156 HN2 NH2 21 H1 NH2 21 -8.047 1.400 21.646 Start of MODEL 45 1 H1 ACE 0 HA2 ACE 0 2.843 -6.253 3.205 2 H2 ACE 0 HA3 ACE 0 3.891 -7.116 4.332 3 H3 ACE 0 HA1 ACE 0 2.669 -7.996 3.415 4 H LEU 1 HN LEU 1 2.905 -7.858 0.993 5 HA LEU 1 HA LEU 1 5.672 -8.438 0.294 6 HB2 LEU 1 HB2 LEU 1 3.064 -8.734 -1.200 7 HB3 LEU 1 HB1 LEU 1 4.633 -9.189 -1.868 8 HG LEU 1 HG LEU 1 3.541 -10.258 0.753 9 HD11 LEU 1 HD11 LEU 1 3.641 -11.747 -1.879 10 HD12 LEU 1 HD12 LEU 1 2.201 -10.888 -1.335 11 HD13 LEU 1 HD13 LEU 1 2.838 -12.231 -0.386 12 HD21 LEU 1 HD21 LEU 1 6.029 -10.736 -0.868 13 HD22 LEU 1 HD22 LEU 1 5.335 -12.098 0.009 14 HD23 LEU 1 HD23 LEU 1 5.824 -10.651 0.879 15 H GLY 2 HN GLY 2 3.849 -5.712 0.415 16 HA2 GLY 2 HA2 GLY 2 5.592 -3.989 -0.769 17 HA3 GLY 2 HA1 GLY 2 4.552 -4.494 -2.100 18 H LEU 3 HN LEU 3 2.325 -4.863 -0.103 19 HA LEU 3 HA LEU 3 1.152 -2.269 -0.403 20 HB2 LEU 3 HB2 LEU 3 0.234 -4.649 1.227 21 HB3 LEU 3 HB1 LEU 3 -0.746 -3.243 0.822 22 HG LEU 3 HG LEU 3 0.493 -5.150 -1.194 23 HD11 LEU 3 HD11 LEU 3 -1.882 -5.818 -1.581 24 HD12 LEU 3 HD12 LEU 3 -2.360 -4.805 -0.218 25 HD13 LEU 3 HD13 LEU 3 -1.323 -6.205 0.048 26 HD21 LEU 3 HD21 LEU 3 -1.104 -2.597 -1.421 27 HD22 LEU 3 HD22 LEU 3 -1.281 -3.840 -2.661 28 HD23 LEU 3 HD23 LEU 3 0.296 -3.119 -2.359 29 H LEU 4 HN LEU 4 3.093 -3.765 2.007 30 HA LEU 4 HA LEU 4 2.216 -2.406 4.306 31 HB2 LEU 4 HB2 LEU 4 3.886 -4.356 4.115 32 HB3 LEU 4 HB1 LEU 4 5.094 -3.123 3.770 33 HG LEU 4 HG LEU 4 4.254 -1.958 5.925 34 HD11 LEU 4 HD11 LEU 4 2.260 -3.103 6.488 35 HD12 LEU 4 HD12 LEU 4 3.445 -3.770 7.604 36 HD13 LEU 4 HD13 LEU 4 2.971 -4.686 6.177 37 HD21 LEU 4 HD21 LEU 4 5.646 -3.562 7.348 38 HD22 LEU 4 HD22 LEU 4 6.439 -2.924 5.908 39 HD23 LEU 4 HD23 LEU 4 5.793 -4.566 5.903 40 H SER 5 HN SER 5 4.532 -1.518 1.788 41 HA SER 5 HA SER 5 5.609 0.780 2.937 42 HB2 SER 5 HB2 SER 5 6.113 1.480 0.641 43 HB3 SER 5 HB1 SER 5 6.439 -0.238 0.855 44 HG SER 5 HG SER 5 4.524 1.045 -0.670 45 H TYR 6 HN TYR 6 2.529 0.265 1.309 46 HA TYR 6 HA TYR 6 1.871 3.105 1.319 47 HB2 TYR 6 HB2 TYR 6 0.239 0.668 0.559 48 HB3 TYR 6 HB1 TYR 6 -0.283 2.341 0.364 49 HD1 TYR 6 HD1 TYR 6 2.208 -0.190 -0.737 50 HD2 TYR 6 HD2 TYR 6 0.564 3.726 -1.394 51 HE1 TYR 6 HE1 TYR 6 3.407 -0.045 -2.904 52 HE2 TYR 6 HE2 TYR 6 1.760 3.865 -3.557 53 HH TYR 6 HH TYR 6 3.915 2.776 -4.527 54 H GLY 7 HN GLY 7 1.998 0.812 3.641 55 HA2 GLY 7 HA2 GLY 7 -0.135 2.101 5.247 56 HA3 GLY 7 HA1 GLY 7 0.011 0.345 5.198 57 H ALA 8 HN ALA 8 2.980 1.962 4.924 58 HA ALA 8 HA ALA 8 4.070 0.829 7.254 59 HB1 ALA 8 HB1 ALA 8 6.050 2.022 6.721 60 HB2 ALA 8 HB2 ALA 8 5.150 3.302 5.905 61 HB3 ALA 8 HB3 ALA 8 5.277 1.706 5.167 62 H GLY 9 HN GLY 9 2.315 3.767 6.724 63 HA2 GLY 9 HA2 GLY 9 3.003 4.805 9.409 64 HA3 GLY 9 HA1 GLY 9 2.217 5.715 8.120 65 H VAL 10 HN VAL 10 0.061 4.679 7.389 66 HA VAL 10 HA VAL 10 -1.725 4.778 9.566 67 HB VAL 10 HB VAL 10 -2.189 3.635 6.801 68 HG11 VAL 10 HG11 VAL 10 -4.125 4.736 8.853 69 HG12 VAL 10 HG12 VAL 10 -3.956 3.038 8.423 70 HG13 VAL 10 HG13 VAL 10 -4.547 4.193 7.232 71 HG21 VAL 10 HG21 VAL 10 -2.925 5.859 6.186 72 HG22 VAL 10 HG22 VAL 10 -1.303 5.989 6.868 73 HG23 VAL 10 HG23 VAL 10 -2.708 6.434 7.840 74 H ALA 11 HN ALA 11 -0.471 2.033 7.670 75 HA ALA 11 HA ALA 11 -0.550 -0.241 8.069 76 HB1 ALA 11 HB1 ALA 11 -0.430 0.718 10.940 77 HB2 ALA 11 HB2 ALA 11 0.964 0.516 9.881 78 HB3 ALA 11 HB3 ALA 11 0.014 -0.888 10.361 79 H SER 12 HN SER 12 -3.064 1.527 8.267 80 HA SER 12 HA SER 12 -5.320 1.028 8.327 81 HB2 SER 12 HB2 SER 12 -4.252 -1.455 8.066 82 HB3 SER 12 HB1 SER 12 -5.024 -1.619 9.639 83 HG SER 12 HG SER 12 -6.146 -0.981 7.131 84 H LEU 13 HN LEU 13 -3.755 2.243 10.494 85 HA LEU 13 HA LEU 13 -3.898 2.772 12.737 86 HB2 LEU 13 HB2 LEU 13 -6.481 3.012 11.400 87 HB3 LEU 13 HB1 LEU 13 -6.708 2.748 13.125 88 HG LEU 13 HG LEU 13 -5.034 4.633 13.511 89 HD11 LEU 13 HD11 LEU 13 -4.081 4.520 11.191 90 HD12 LEU 13 HD12 LEU 13 -4.593 6.140 11.666 91 HD13 LEU 13 HD13 LEU 13 -5.600 5.177 10.585 92 HD21 LEU 13 HD21 LEU 13 -7.559 5.322 11.976 93 HD22 LEU 13 HD22 LEU 13 -6.717 6.366 13.120 94 HD23 LEU 13 HD23 LEU 13 -7.506 4.896 13.686 95 HA PRO 14 HA PRO 14 -4.805 -1.481 14.284 96 HB2 PRO 14 HB2 PRO 14 -2.328 -2.528 14.393 97 HB3 PRO 14 HB1 PRO 14 -3.231 -2.454 12.864 98 HG2 PRO 14 HG2 PRO 14 -0.964 -0.772 13.806 99 HG3 PRO 14 HG1 PRO 14 -1.388 -1.274 12.162 100 HD2 PRO 14 HD2 PRO 14 -1.993 1.243 13.369 101 HD3 PRO 14 HD1 PRO 14 -2.598 0.637 11.816 102 H LEU 15 HN LEU 15 -1.817 0.275 15.142 103 HA LEU 15 HA LEU 15 -1.776 -0.482 17.865 104 HB2 LEU 15 HB2 LEU 15 -0.541 1.861 16.413 105 HB3 LEU 15 HB1 LEU 15 -0.217 1.487 18.102 106 HG LEU 15 HG LEU 15 0.215 -0.484 15.841 107 HD11 LEU 15 HD11 LEU 15 2.585 0.083 15.960 108 HD12 LEU 15 HD12 LEU 15 2.265 1.280 17.216 109 HD13 LEU 15 HD13 LEU 15 1.646 1.527 15.582 110 HD21 LEU 15 HD21 LEU 15 0.788 -0.469 18.802 111 HD22 LEU 15 HD22 LEU 15 1.847 -1.378 17.725 112 HD23 LEU 15 HD23 LEU 15 0.132 -1.758 17.797 113 H LEU 16 HN LEU 16 -3.157 2.287 16.165 114 HA LEU 16 HA LEU 16 -3.868 3.819 18.416 115 HB2 LEU 16 HB2 LEU 16 -4.911 3.630 15.601 116 HB3 LEU 16 HB1 LEU 16 -5.702 4.684 16.770 117 HG LEU 16 HG LEU 16 -3.991 5.866 15.394 118 HD11 LEU 16 HD11 LEU 16 -3.275 7.203 17.129 119 HD12 LEU 16 HD12 LEU 16 -2.814 5.845 18.152 120 HD13 LEU 16 HD13 LEU 16 -4.512 6.292 17.988 121 HD21 LEU 16 HD21 LEU 16 -2.507 3.814 15.234 122 HD22 LEU 16 HD22 LEU 16 -1.961 4.175 16.873 123 HD23 LEU 16 HD23 LEU 16 -1.658 5.324 15.572 124 H ASN 17 HN ASN 17 -5.536 1.242 16.681 125 HA ASN 17 HA ASN 17 -8.024 1.402 17.955 126 HB2 ASN 17 HB2 ASN 17 -7.638 0.069 15.944 127 HB3 ASN 17 HB1 ASN 17 -6.590 -1.022 16.850 128 HD21 ASN 17 HD21 ASN 17 -8.793 -2.177 15.634 129 HD22 ASN 17 HD22 ASN 17 -9.973 -2.567 16.790 130 H VAL 18 HN VAL 18 -5.063 -0.321 18.858 131 HA VAL 18 HA VAL 18 -6.114 -1.772 21.041 132 HB VAL 18 HB VAL 18 -3.312 -0.736 20.535 133 HG11 VAL 18 HG11 VAL 18 -3.399 -1.173 22.865 134 HG12 VAL 18 HG12 VAL 18 -2.758 -2.660 22.168 135 HG13 VAL 18 HG13 VAL 18 -4.454 -2.570 22.650 136 HG21 VAL 18 HG21 VAL 18 -2.933 -3.137 19.906 137 HG22 VAL 18 HG22 VAL 18 -4.065 -2.313 18.833 138 HG23 VAL 18 HG23 VAL 18 -4.664 -3.415 20.071 139 H ILE 19 HN ILE 19 -4.522 1.406 20.878 140 HA ILE 19 HA ILE 19 -4.672 1.957 23.655 141 HB ILE 19 HB ILE 19 -4.627 3.932 21.365 142 HG12 ILE 19 HG12 ILE 19 -2.768 2.361 21.149 143 HG13 ILE 19 HG11 ILE 19 -2.161 3.915 21.709 144 HG21 ILE 19 HG21 ILE 19 -3.967 4.135 24.308 145 HG22 ILE 19 HG22 ILE 19 -5.166 5.056 23.401 146 HG23 ILE 19 HG23 ILE 19 -3.446 5.335 23.127 147 HD11 ILE 19 HD11 ILE 19 -1.064 2.404 23.121 148 HD12 ILE 19 HD12 ILE 19 -2.463 1.344 23.246 149 HD13 ILE 19 HD13 ILE 19 -2.444 2.883 24.103 150 H ALA 20 HN ALA 20 -6.805 2.721 20.926 151 HA ALA 20 HA ALA 20 -8.680 4.223 22.459 152 HB1 ALA 20 HB1 ALA 20 -8.625 4.477 20.055 153 HB2 ALA 20 HB2 ALA 20 -10.201 3.830 20.511 154 HB3 ALA 20 HB3 ALA 20 -8.976 2.763 19.824 155 HN1 NH2 21 H2 NH2 21 -10.119 0.372 22.348 156 HN2 NH2 21 H1 NH2 21 -9.142 0.915 21.071 Start of MODEL 46 1 H1 ACE 0 HA2 ACE 0 3.806 -2.182 -5.965 2 H2 ACE 0 HA3 ACE 0 3.486 -1.885 -4.255 3 H3 ACE 0 HA1 ACE 0 2.230 -2.580 -5.278 4 H LEU 1 HN LEU 1 1.912 -4.603 -4.552 5 HA LEU 1 HA LEU 1 2.372 -6.694 -3.652 6 HB2 LEU 1 HB2 LEU 1 4.239 -6.523 -6.021 7 HB3 LEU 1 HB1 LEU 1 3.844 -8.021 -5.184 8 HG LEU 1 HG LEU 1 1.756 -6.188 -6.395 9 HD11 LEU 1 HD11 LEU 1 1.687 -7.726 -8.293 10 HD12 LEU 1 HD12 LEU 1 2.951 -8.719 -7.566 11 HD13 LEU 1 HD13 LEU 1 3.323 -7.086 -8.116 12 HD21 LEU 1 HD21 LEU 1 1.728 -8.929 -5.124 13 HD22 LEU 1 HD22 LEU 1 0.522 -8.520 -6.340 14 HD23 LEU 1 HD23 LEU 1 0.632 -7.572 -4.862 15 H GLY 2 HN GLY 2 3.941 -4.540 -2.427 16 HA2 GLY 2 HA2 GLY 2 5.767 -6.123 -0.941 17 HA3 GLY 2 HA1 GLY 2 6.645 -5.136 -2.106 18 H LEU 3 HN LEU 3 4.812 -2.898 -2.028 19 HA LEU 3 HA LEU 3 5.770 -1.664 0.441 20 HB2 LEU 3 HB2 LEU 3 4.343 -0.531 -1.973 21 HB3 LEU 3 HB1 LEU 3 4.865 0.428 -0.591 22 HG LEU 3 HG LEU 3 6.729 -1.283 -2.265 23 HD11 LEU 3 HD11 LEU 3 5.979 1.640 -2.440 24 HD12 LEU 3 HD12 LEU 3 5.972 0.431 -3.725 25 HD13 LEU 3 HD13 LEU 3 7.502 1.027 -3.082 26 HD21 LEU 3 HD21 LEU 3 7.082 0.600 0.068 27 HD22 LEU 3 HD22 LEU 3 8.370 0.472 -1.129 28 HD23 LEU 3 HD23 LEU 3 7.854 -0.956 -0.239 29 H LEU 4 HN LEU 4 3.017 -3.290 -0.577 30 HA LEU 4 HA LEU 4 0.950 -1.790 0.634 31 HB2 LEU 4 HB2 LEU 4 1.223 -4.749 0.079 32 HB3 LEU 4 HB1 LEU 4 -0.256 -4.010 0.687 33 HG LEU 4 HG LEU 4 1.137 -3.115 -1.852 34 HD11 LEU 4 HD11 LEU 4 -0.704 -4.369 -3.016 35 HD12 LEU 4 HD12 LEU 4 -1.141 -5.076 -1.461 36 HD13 LEU 4 HD13 LEU 4 0.437 -5.412 -2.170 37 HD21 LEU 4 HD21 LEU 4 -0.280 -1.353 -1.267 38 HD22 LEU 4 HD22 LEU 4 -1.440 -2.404 -0.458 39 HD23 LEU 4 HD23 LEU 4 -1.384 -2.340 -2.218 40 H SER 5 HN SER 5 3.088 -4.321 1.867 41 HA SER 5 HA SER 5 1.860 -4.340 4.482 42 HB2 SER 5 HB2 SER 5 4.428 -5.574 3.468 43 HB3 SER 5 HB1 SER 5 3.737 -5.856 5.063 44 HG SER 5 HG SER 5 3.120 -7.460 3.544 45 H TYR 6 HN TYR 6 3.817 -2.165 2.957 46 HA TYR 6 HA TYR 6 5.838 -1.559 4.802 47 HB2 TYR 6 HB2 TYR 6 5.621 -0.604 2.500 48 HB3 TYR 6 HB1 TYR 6 4.302 0.406 3.087 49 HD1 TYR 6 HD2 TYR 6 4.717 2.219 4.702 50 HD2 TYR 6 HD1 TYR 6 7.916 -0.195 3.154 51 HE1 TYR 6 HE2 TYR 6 6.369 3.873 5.531 52 HE2 TYR 6 HE1 TYR 6 9.565 1.458 3.980 53 HH TYR 6 HH TYR 6 9.749 3.682 4.681 54 H GLY 7 HN GLY 7 2.518 -0.297 4.544 55 HA2 GLY 7 HA2 GLY 7 1.678 -0.180 7.067 56 HA3 GLY 7 HA1 GLY 7 2.799 1.179 7.054 57 H ALA 8 HN ALA 8 0.660 0.058 4.452 58 HA ALA 8 HA ALA 8 -0.513 2.762 4.310 59 HB1 ALA 8 HB1 ALA 8 -1.287 2.073 2.085 60 HB2 ALA 8 HB2 ALA 8 -0.631 0.457 2.348 61 HB3 ALA 8 HB3 ALA 8 0.454 1.844 2.242 62 H GLY 9 HN GLY 9 -1.571 1.779 6.445 63 HA2 GLY 9 HA2 GLY 9 -4.297 1.719 6.134 64 HA3 GLY 9 HA1 GLY 9 -3.809 0.026 6.055 65 H VAL 10 HN VAL 10 -1.794 -0.153 7.832 66 HA VAL 10 HA VAL 10 -3.120 -0.238 10.334 67 HB VAL 10 HB VAL 10 -0.186 -0.470 9.635 68 HG11 VAL 10 HG11 VAL 10 -1.705 -0.823 12.217 69 HG12 VAL 10 HG12 VAL 10 -0.162 -0.017 11.937 70 HG13 VAL 10 HG13 VAL 10 -0.254 -1.776 11.903 71 HG21 VAL 10 HG21 VAL 10 -2.380 -2.512 10.103 72 HG22 VAL 10 HG22 VAL 10 -0.674 -2.910 9.910 73 HG23 VAL 10 HG23 VAL 10 -1.565 -2.176 8.577 74 H ALA 11 HN ALA 11 -0.664 1.933 8.987 75 HA ALA 11 HA ALA 11 0.008 4.040 9.584 76 HB1 ALA 11 HB1 ALA 11 -1.579 5.517 10.540 77 HB2 ALA 11 HB2 ALA 11 -2.440 4.204 11.336 78 HB3 ALA 11 HB3 ALA 11 -2.524 4.375 9.586 79 H SER 12 HN SER 12 0.994 1.821 11.016 80 HA SER 12 HA SER 12 2.315 1.372 12.829 81 HB2 SER 12 HB2 SER 12 1.922 4.202 13.770 82 HB3 SER 12 HB1 SER 12 3.335 3.164 13.952 83 HG SER 12 HG SER 12 2.703 4.857 11.964 84 H LEU 13 HN LEU 13 -0.778 1.513 12.946 85 HA LEU 13 HA LEU 13 -2.423 1.078 14.495 86 HB2 LEU 13 HB2 LEU 13 -0.684 -0.750 14.968 87 HB3 LEU 13 HB1 LEU 13 -0.189 0.239 16.337 88 HG LEU 13 HG LEU 13 -2.802 0.231 16.882 89 HD11 LEU 13 HD11 LEU 13 -2.530 -2.476 15.562 90 HD12 LEU 13 HD12 LEU 13 -3.184 -1.095 14.688 91 HD13 LEU 13 HD13 LEU 13 -3.993 -1.679 16.139 92 HD21 LEU 13 HD21 LEU 13 -0.959 -0.737 18.293 93 HD22 LEU 13 HD22 LEU 13 -1.098 -2.235 17.374 94 HD23 LEU 13 HD23 LEU 13 -2.449 -1.676 18.359 95 HA PRO 14 HA PRO 14 -1.537 4.779 17.096 96 HB2 PRO 14 HB2 PRO 14 -2.764 6.711 15.639 97 HB3 PRO 14 HB1 PRO 14 -1.123 6.145 15.265 98 HG2 PRO 14 HG2 PRO 14 -3.639 5.667 13.801 99 HG3 PRO 14 HG1 PRO 14 -1.969 5.573 13.228 100 HD2 PRO 14 HD2 PRO 14 -3.689 3.382 14.086 101 HD3 PRO 14 HD1 PRO 14 -2.045 3.289 13.425 102 H LEU 15 HN LEU 15 -4.554 5.230 15.289 103 HA LEU 15 HA LEU 15 -6.118 5.822 17.562 104 HB2 LEU 15 HB2 LEU 15 -6.876 4.983 14.758 105 HB3 LEU 15 HB1 LEU 15 -8.052 5.488 15.969 106 HG LEU 15 HG LEU 15 -5.690 7.180 15.097 107 HD11 LEU 15 HD11 LEU 15 -8.594 7.346 14.237 108 HD12 LEU 15 HD12 LEU 15 -7.261 6.783 13.228 109 HD13 LEU 15 HD13 LEU 15 -7.312 8.461 13.766 110 HD21 LEU 15 HD21 LEU 15 -7.414 8.961 16.088 111 HD22 LEU 15 HD22 LEU 15 -6.327 8.080 17.151 112 HD23 LEU 15 HD23 LEU 15 -8.005 7.564 16.987 113 H LEU 16 HN LEU 16 -5.625 2.847 15.729 114 HA LEU 16 HA LEU 16 -7.606 1.277 16.975 115 HB2 LEU 16 HB2 LEU 16 -4.960 0.528 15.720 116 HB3 LEU 16 HB1 LEU 16 -6.160 -0.651 16.239 117 HG LEU 16 HG LEU 16 -6.755 1.586 14.281 118 HD11 LEU 16 HD11 LEU 16 -5.007 0.038 13.423 119 HD12 LEU 16 HD12 LEU 16 -6.510 -0.078 12.509 120 HD13 LEU 16 HD13 LEU 16 -6.102 -1.316 13.696 121 HD21 LEU 16 HD21 LEU 16 -8.599 -0.217 13.700 122 HD22 LEU 16 HD22 LEU 16 -8.830 0.842 15.083 123 HD23 LEU 16 HD23 LEU 16 -8.266 -0.811 15.326 124 H ASN 17 HN ASN 17 -4.231 1.914 17.809 125 HA ASN 17 HA ASN 17 -3.991 0.062 19.914 126 HB2 ASN 17 HB2 ASN 17 -2.061 1.220 18.945 127 HB3 ASN 17 HB1 ASN 17 -2.647 2.754 19.582 128 HD21 ASN 17 HD21 ASN 17 -0.131 1.985 20.426 129 HD22 ASN 17 HD22 ASN 17 -0.182 1.461 22.040 130 H VAL 18 HN VAL 18 -5.128 3.427 19.882 131 HA VAL 18 HA VAL 18 -5.424 3.705 22.683 132 HB VAL 18 HB VAL 18 -6.931 5.059 20.432 133 HG11 VAL 18 HG11 VAL 18 -6.741 5.597 23.401 134 HG12 VAL 18 HG12 VAL 18 -8.197 5.371 22.433 135 HG13 VAL 18 HG13 VAL 18 -7.234 6.836 22.247 136 HG21 VAL 18 HG21 VAL 18 -4.514 5.931 22.052 137 HG22 VAL 18 HG22 VAL 18 -5.307 6.874 20.791 138 HG23 VAL 18 HG23 VAL 18 -4.471 5.379 20.377 139 H ILE 19 HN ILE 19 -7.691 2.722 20.134 140 HA ILE 19 HA ILE 19 -9.930 2.316 21.826 141 HB ILE 19 HB ILE 19 -9.184 1.105 19.153 142 HG12 ILE 19 HG12 ILE 19 -9.515 3.535 19.096 143 HG13 ILE 19 HG11 ILE 19 -10.840 2.721 18.272 144 HG21 ILE 19 HG21 ILE 19 -11.741 0.687 19.078 145 HG22 ILE 19 HG22 ILE 19 -11.672 0.842 20.833 146 HG23 ILE 19 HG23 ILE 19 -10.748 -0.422 20.024 147 HD11 ILE 19 HD11 ILE 19 -11.953 2.875 20.714 148 HD12 ILE 19 HD12 ILE 19 -12.053 4.202 19.562 149 HD13 ILE 19 HD13 ILE 19 -10.846 4.239 20.845 150 H ALA 20 HN ALA 20 -7.369 0.174 20.649 151 HA ALA 20 HA ALA 20 -8.364 -2.191 21.878 152 HB1 ALA 20 HB1 ALA 20 -6.675 -2.086 20.002 153 HB2 ALA 20 HB2 ALA 20 -6.242 -3.165 21.328 154 HB3 ALA 20 HB3 ALA 20 -5.483 -1.579 21.199 155 HN1 NH2 21 H2 NH2 21 -6.024 -0.243 24.611 156 HN2 NH2 21 H1 NH2 21 -6.121 0.343 23.020 Start of MODEL 47 1 H1 ACE 0 HA2 ACE 0 6.723 -1.641 0.061 2 H2 ACE 0 HA3 ACE 0 7.019 -0.512 -1.259 3 H3 ACE 0 HA1 ACE 0 8.371 -1.156 -0.331 4 H LEU 1 HN LEU 1 7.172 -3.856 -0.235 5 HA LEU 1 HA LEU 1 8.397 -4.964 -2.523 6 HB2 LEU 1 HB2 LEU 1 6.439 -6.121 -0.533 7 HB3 LEU 1 HB1 LEU 1 7.209 -7.078 -1.796 8 HG LEU 1 HG LEU 1 8.746 -5.434 0.238 9 HD11 LEU 1 HD11 LEU 1 8.163 -8.412 0.255 10 HD12 LEU 1 HD12 LEU 1 7.415 -7.227 1.327 11 HD13 LEU 1 HD13 LEU 1 9.149 -7.538 1.428 12 HD21 LEU 1 HD21 LEU 1 9.492 -7.337 -1.977 13 HD22 LEU 1 HD22 LEU 1 10.501 -7.291 -0.533 14 HD23 LEU 1 HD23 LEU 1 10.267 -5.832 -1.486 15 H GLY 2 HN GLY 2 4.996 -4.304 -1.752 16 HA2 GLY 2 HA2 GLY 2 4.317 -4.016 -4.515 17 HA3 GLY 2 HA1 GLY 2 3.723 -5.541 -3.864 18 H LEU 3 HN LEU 3 3.089 -4.741 -1.256 19 HA LEU 3 HA LEU 3 1.240 -2.496 -1.474 20 HB2 LEU 3 HB2 LEU 3 -0.427 -4.341 -0.264 21 HB3 LEU 3 HB1 LEU 3 -0.521 -3.859 -1.954 22 HG LEU 3 HG LEU 3 1.040 -5.730 -2.525 23 HD11 LEU 3 HD11 LEU 3 0.539 -6.632 0.323 24 HD12 LEU 3 HD12 LEU 3 2.014 -5.803 -0.163 25 HD13 LEU 3 HD13 LEU 3 1.613 -7.369 -0.864 26 HD21 LEU 3 HD21 LEU 3 -1.400 -6.604 -0.961 27 HD22 LEU 3 HD22 LEU 3 -0.650 -7.449 -2.316 28 HD23 LEU 3 HD23 LEU 3 -1.465 -5.906 -2.578 29 H LEU 4 HN LEU 4 3.692 -3.502 0.053 30 HA LEU 4 HA LEU 4 2.981 -3.890 2.759 31 HB2 LEU 4 HB2 LEU 4 5.265 -4.206 1.576 32 HB3 LEU 4 HB1 LEU 4 5.502 -2.488 1.870 33 HG LEU 4 HG LEU 4 4.800 -4.477 4.055 34 HD11 LEU 4 HD11 LEU 4 7.262 -4.225 4.648 35 HD12 LEU 4 HD12 LEU 4 7.484 -3.511 3.051 36 HD13 LEU 4 HD13 LEU 4 6.918 -5.175 3.204 37 HD21 LEU 4 HD21 LEU 4 4.374 -2.472 5.090 38 HD22 LEU 4 HD22 LEU 4 5.349 -1.537 3.958 39 HD23 LEU 4 HD23 LEU 4 6.122 -2.416 5.276 40 H SER 5 HN SER 5 3.629 -0.991 0.850 41 HA SER 5 HA SER 5 3.744 0.962 2.782 42 HB2 SER 5 HB2 SER 5 2.963 2.509 1.084 43 HB3 SER 5 HB1 SER 5 4.021 1.315 0.336 44 HG SER 5 HG SER 5 1.706 1.887 -0.504 45 H TYR 6 HN TYR 6 0.836 -0.632 1.502 46 HA TYR 6 HA TYR 6 -1.061 1.080 2.705 47 HB2 TYR 6 HB2 TYR 6 -1.268 -1.870 2.046 48 HB3 TYR 6 HB1 TYR 6 -2.629 -0.838 2.490 49 HD1 TYR 6 HD2 TYR 6 -2.935 1.355 1.082 50 HD2 TYR 6 HD1 TYR 6 -0.655 -2.039 -0.201 51 HE1 TYR 6 HE2 TYR 6 -3.143 2.104 -1.276 52 HE2 TYR 6 HE1 TYR 6 -0.859 -1.309 -2.554 53 HH TYR 6 HH TYR 6 -1.337 0.587 -3.850 54 H GLY 7 HN GLY 7 0.482 -1.901 3.869 55 HA2 GLY 7 HA2 GLY 7 -0.910 -2.010 6.344 56 HA3 GLY 7 HA1 GLY 7 0.591 -2.852 5.961 57 H ALA 8 HN ALA 8 2.030 -0.444 5.247 58 HA ALA 8 HA ALA 8 3.129 0.202 7.750 59 HB1 ALA 8 HB1 ALA 8 3.345 1.802 5.194 60 HB2 ALA 8 HB2 ALA 8 4.325 0.384 5.567 61 HB3 ALA 8 HB3 ALA 8 4.462 1.837 6.558 62 H GLY 9 HN GLY 9 0.720 1.839 5.750 63 HA2 GLY 9 HA2 GLY 9 0.615 4.259 7.225 64 HA3 GLY 9 HA1 GLY 9 -0.660 3.637 6.177 65 H VAL 10 HN VAL 10 -1.255 1.252 7.404 66 HA VAL 10 HA VAL 10 -2.903 2.107 9.582 67 HB VAL 10 HB VAL 10 -2.276 -0.673 8.559 68 HG11 VAL 10 HG11 VAL 10 -4.377 0.401 10.455 69 HG12 VAL 10 HG12 VAL 10 -3.166 -0.838 10.782 70 HG13 VAL 10 HG13 VAL 10 -4.497 -1.178 9.678 71 HG21 VAL 10 HG21 VAL 10 -4.639 1.149 8.013 72 HG22 VAL 10 HG22 VAL 10 -4.371 -0.453 7.327 73 HG23 VAL 10 HG23 VAL 10 -3.304 0.882 6.891 74 H ALA 11 HN ALA 11 0.257 0.730 9.281 75 HA ALA 11 HA ALA 11 1.813 0.041 10.831 76 HB1 ALA 11 HB1 ALA 11 0.267 2.000 12.550 77 HB2 ALA 11 HB2 ALA 11 1.622 2.396 11.491 78 HB3 ALA 11 HB3 ALA 11 1.878 1.375 12.905 79 H SER 12 HN SER 12 -0.582 -1.541 10.574 80 HA SER 12 HA SER 12 -1.560 -3.361 11.571 81 HB2 SER 12 HB2 SER 12 0.869 -3.679 12.339 82 HB3 SER 12 HB1 SER 12 0.346 -3.009 13.881 83 HG SER 12 HG SER 12 -1.444 -4.695 13.529 84 H LEU 13 HN LEU 13 -2.198 -0.456 12.312 85 HA LEU 13 HA LEU 13 -3.596 0.682 13.738 86 HB2 LEU 13 HB2 LEU 13 -5.013 -1.271 12.758 87 HB3 LEU 13 HB1 LEU 13 -4.860 -1.980 14.363 88 HG LEU 13 HG LEU 13 -5.666 0.403 15.186 89 HD11 LEU 13 HD11 LEU 13 -6.774 0.288 12.359 90 HD12 LEU 13 HD12 LEU 13 -5.597 1.462 12.943 91 HD13 LEU 13 HD13 LEU 13 -7.232 1.459 13.594 92 HD21 LEU 13 HD21 LEU 13 -6.928 -1.707 15.475 93 HD22 LEU 13 HD22 LEU 13 -7.546 -1.559 13.831 94 HD23 LEU 13 HD23 LEU 13 -8.009 -0.378 15.053 95 HA PRO 14 HA PRO 14 -1.564 -0.745 17.614 96 HB2 PRO 14 HB2 PRO 14 0.514 0.995 17.725 97 HB3 PRO 14 HB1 PRO 14 0.566 -0.475 16.731 98 HG2 PRO 14 HG2 PRO 14 0.310 2.342 15.883 99 HG3 PRO 14 HG1 PRO 14 0.884 0.940 14.973 100 HD2 PRO 14 HD2 PRO 14 -1.763 2.140 14.906 101 HD3 PRO 14 HD1 PRO 14 -1.156 0.775 13.947 102 H LEU 15 HN LEU 15 -0.959 2.710 17.100 103 HA LEU 15 HA LEU 15 -1.852 3.500 19.651 104 HB2 LEU 15 HB2 LEU 15 -1.436 5.072 17.100 105 HB3 LEU 15 HB1 LEU 15 -1.789 5.815 18.659 106 HG LEU 15 HG LEU 15 0.557 3.959 18.151 107 HD11 LEU 15 HD11 LEU 15 1.932 6.015 18.179 108 HD12 LEU 15 HD12 LEU 15 0.465 6.988 18.283 109 HD13 LEU 15 HD13 LEU 15 0.784 6.024 16.840 110 HD21 LEU 15 HD21 LEU 15 -0.448 5.513 20.530 111 HD22 LEU 15 HD22 LEU 15 1.292 5.320 20.326 112 HD23 LEU 15 HD23 LEU 15 0.262 3.901 20.464 113 H LEU 16 HN LEU 16 -3.445 3.467 16.494 114 HA LEU 16 HA LEU 16 -5.785 4.848 17.239 115 HB2 LEU 16 HB2 LEU 16 -5.127 2.849 15.082 116 HB3 LEU 16 HB1 LEU 16 -6.781 3.424 15.290 117 HG LEU 16 HG LEU 16 -6.029 5.746 15.026 118 HD11 LEU 16 HD11 LEU 16 -3.313 4.427 14.865 119 HD12 LEU 16 HD12 LEU 16 -3.831 5.726 15.939 120 HD13 LEU 16 HD13 LEU 16 -3.605 6.041 14.220 121 HD21 LEU 16 HD21 LEU 16 -5.342 5.612 12.648 122 HD22 LEU 16 HD22 LEU 16 -6.634 4.467 13.003 123 HD23 LEU 16 HD23 LEU 16 -4.970 3.902 12.858 124 H ASN 17 HN ASN 17 -4.934 1.406 17.346 125 HA ASN 17 HA ASN 17 -7.457 0.435 18.166 126 HB2 ASN 17 HB2 ASN 17 -5.670 -1.023 17.313 127 HB3 ASN 17 HB1 ASN 17 -4.699 -0.670 18.740 128 HD21 ASN 17 HD21 ASN 17 -5.360 -3.341 18.273 129 HD22 ASN 17 HD22 ASN 17 -6.520 -3.852 19.404 130 H VAL 18 HN VAL 18 -4.622 1.526 20.000 131 HA VAL 18 HA VAL 18 -5.628 0.891 22.569 132 HB VAL 18 HB VAL 18 -3.589 2.940 21.672 133 HG11 VAL 18 HG11 VAL 18 -4.366 3.669 23.819 134 HG12 VAL 18 HG12 VAL 18 -2.869 2.785 24.114 135 HG13 VAL 18 HG13 VAL 18 -4.425 2.016 24.430 136 HG21 VAL 18 HG21 VAL 18 -1.972 1.272 22.361 137 HG22 VAL 18 HG22 VAL 18 -3.117 0.497 21.267 138 HG23 VAL 18 HG23 VAL 18 -3.246 0.239 23.007 139 H ILE 19 HN ILE 19 -5.659 3.893 20.669 140 HA ILE 19 HA ILE 19 -7.036 5.459 22.588 141 HB ILE 19 HB ILE 19 -6.806 5.716 19.578 142 HG12 ILE 19 HG12 ILE 19 -5.477 7.298 21.796 143 HG13 ILE 19 HG11 ILE 19 -4.735 5.887 21.042 144 HG21 ILE 19 HG21 ILE 19 -7.445 8.159 20.160 145 HG22 ILE 19 HG22 ILE 19 -8.084 7.494 21.662 146 HG23 ILE 19 HG23 ILE 19 -8.744 6.968 20.115 147 HD11 ILE 19 HD11 ILE 19 -4.677 6.944 18.897 148 HD12 ILE 19 HD12 ILE 19 -4.073 8.140 20.045 149 HD13 ILE 19 HD13 ILE 19 -5.726 8.254 19.440 150 H ALA 20 HN ALA 20 -8.111 3.529 19.822 151 HA ALA 20 HA ALA 20 -10.922 4.094 20.365 152 HB1 ALA 20 HB1 ALA 20 -11.300 2.549 18.437 153 HB2 ALA 20 HB2 ALA 20 -9.556 2.309 18.336 154 HB3 ALA 20 HB3 ALA 20 -10.244 3.906 18.046 155 HN1 NH2 21 H2 NH2 21 -9.750 0.766 22.222 156 HN2 NH2 21 H1 NH2 21 -8.685 1.993 21.728 Start of MODEL 48 1 H1 ACE 0 HA2 ACE 0 4.547 -7.376 2.442 2 H2 ACE 0 HA3 ACE 0 6.259 -7.079 2.746 3 H3 ACE 0 HA1 ACE 0 5.734 -8.633 2.097 4 H LEU 1 HN LEU 1 7.398 -6.089 1.185 5 HA LEU 1 HA LEU 1 7.648 -4.796 -0.737 6 HB2 LEU 1 HB2 LEU 1 7.255 -7.603 -1.792 7 HB3 LEU 1 HB1 LEU 1 7.938 -6.274 -2.727 8 HG LEU 1 HG LEU 1 9.060 -7.192 -0.067 9 HD11 LEU 1 HD11 LEU 1 9.973 -7.918 -2.870 10 HD12 LEU 1 HD12 LEU 1 9.191 -9.013 -1.728 11 HD13 LEU 1 HD13 LEU 1 10.791 -8.363 -1.372 12 HD21 LEU 1 HD21 LEU 1 9.914 -5.218 -2.184 13 HD22 LEU 1 HD22 LEU 1 11.139 -6.028 -1.209 14 HD23 LEU 1 HD23 LEU 1 9.912 -5.040 -0.431 15 H GLY 2 HN GLY 2 4.863 -4.934 0.192 16 HA2 GLY 2 HA2 GLY 2 3.600 -3.997 -2.259 17 HA3 GLY 2 HA1 GLY 2 2.856 -5.415 -1.525 18 H LEU 3 HN LEU 3 2.901 -4.991 1.103 19 HA LEU 3 HA LEU 3 1.037 -2.783 1.449 20 HB2 LEU 3 HB2 LEU 3 2.043 -4.912 3.348 21 HB3 LEU 3 HB1 LEU 3 0.839 -3.701 3.772 22 HG LEU 3 HG LEU 3 0.549 -5.665 1.475 23 HD11 LEU 3 HD11 LEU 3 0.596 -6.760 3.720 24 HD12 LEU 3 HD12 LEU 3 -0.974 -6.897 2.930 25 HD13 LEU 3 HD13 LEU 3 -0.737 -5.720 4.221 26 HD21 LEU 3 HD21 LEU 3 -1.950 -4.924 1.931 27 HD22 LEU 3 HD22 LEU 3 -0.903 -3.890 0.969 28 HD23 LEU 3 HD23 LEU 3 -1.198 -3.508 2.665 29 H LEU 4 HN LEU 4 4.374 -3.237 1.713 30 HA LEU 4 HA LEU 4 4.992 -1.654 3.977 31 HB2 LEU 4 HB2 LEU 4 6.550 -2.154 1.430 32 HB3 LEU 4 HB1 LEU 4 7.213 -1.359 2.854 33 HG LEU 4 HG LEU 4 6.062 -4.166 2.806 34 HD11 LEU 4 HD11 LEU 4 8.227 -3.808 1.545 35 HD12 LEU 4 HD12 LEU 4 8.339 -4.947 2.887 36 HD13 LEU 4 HD13 LEU 4 8.952 -3.303 3.070 37 HD21 LEU 4 HD21 LEU 4 7.494 -4.106 5.069 38 HD22 LEU 4 HD22 LEU 4 5.826 -3.544 5.037 39 HD23 LEU 4 HD23 LEU 4 7.147 -2.379 4.970 40 H SER 5 HN SER 5 4.572 -0.841 0.547 41 HA SER 5 HA SER 5 4.982 2.001 1.069 42 HB2 SER 5 HB2 SER 5 4.252 0.489 -1.451 43 HB3 SER 5 HB1 SER 5 4.547 2.224 -1.374 44 HG SER 5 HG SER 5 6.525 0.908 -0.133 45 H TYR 6 HN TYR 6 2.350 -0.034 -0.228 46 HA TYR 6 HA TYR 6 0.381 1.999 -0.207 47 HB2 TYR 6 HB2 TYR 6 0.092 -0.023 -1.532 48 HB3 TYR 6 HB1 TYR 6 0.102 -1.013 -0.073 49 HD1 TYR 6 HD1 TYR 6 -1.803 1.515 -2.000 50 HD2 TYR 6 HD2 TYR 6 -1.823 -1.141 1.375 51 HE1 TYR 6 HE1 TYR 6 -4.246 1.857 -1.742 52 HE2 TYR 6 HE2 TYR 6 -4.265 -0.799 1.631 53 HH TYR 6 HH TYR 6 -6.173 0.665 -0.770 54 H GLY 7 HN GLY 7 1.172 -0.567 2.122 55 HA2 GLY 7 HA2 GLY 7 -0.785 0.444 4.041 56 HA3 GLY 7 HA1 GLY 7 0.222 -0.988 4.223 57 H ALA 8 HN ALA 8 1.772 1.941 3.221 58 HA ALA 8 HA ALA 8 3.608 1.960 5.343 59 HB1 ALA 8 HB1 ALA 8 4.298 4.124 4.523 60 HB2 ALA 8 HB2 ALA 8 2.759 4.350 3.694 61 HB3 ALA 8 HB3 ALA 8 3.891 3.121 3.133 62 H GLY 9 HN GLY 9 2.138 1.638 7.160 63 HA2 GLY 9 HA2 GLY 9 1.873 3.333 9.094 64 HA3 GLY 9 HA1 GLY 9 0.648 4.038 8.035 65 H VAL 10 HN VAL 10 1.515 0.667 8.544 66 HA VAL 10 HA VAL 10 -1.096 -0.312 8.536 67 HB VAL 10 HB VAL 10 -0.137 -2.377 9.352 68 HG11 VAL 10 HG11 VAL 10 1.521 -2.717 7.642 69 HG12 VAL 10 HG12 VAL 10 1.913 -1.000 7.610 70 HG13 VAL 10 HG13 VAL 10 0.352 -1.556 7.008 71 HG21 VAL 10 HG21 VAL 10 2.347 -2.340 9.970 72 HG22 VAL 10 HG22 VAL 10 1.238 -1.679 11.171 73 HG23 VAL 10 HG23 VAL 10 2.170 -0.594 10.140 74 H ALA 11 HN ALA 11 0.781 1.086 11.106 75 HA ALA 11 HA ALA 11 -0.755 0.034 13.273 76 HB1 ALA 11 HB1 ALA 11 1.522 0.885 13.586 77 HB2 ALA 11 HB2 ALA 11 0.379 1.761 14.604 78 HB3 ALA 11 HB3 ALA 11 0.988 2.501 13.124 79 H SER 12 HN SER 12 -2.159 1.430 10.958 80 HA SER 12 HA SER 12 -3.341 3.783 12.180 81 HB2 SER 12 HB2 SER 12 -4.549 4.002 10.082 82 HB3 SER 12 HB1 SER 12 -2.848 3.692 9.756 83 HG SER 12 HG SER 12 -4.255 2.378 8.497 84 H LEU 13 HN LEU 13 -3.934 0.483 12.448 85 HA LEU 13 HA LEU 13 -6.672 1.035 13.395 86 HB2 LEU 13 HB2 LEU 13 -6.126 -0.350 11.001 87 HB3 LEU 13 HB1 LEU 13 -6.517 -1.617 12.156 88 HG LEU 13 HG LEU 13 -8.570 -0.135 12.775 89 HD11 LEU 13 HD11 LEU 13 -7.760 1.036 10.094 90 HD12 LEU 13 HD12 LEU 13 -7.925 1.903 11.621 91 HD13 LEU 13 HD13 LEU 13 -9.352 1.242 10.825 92 HD21 LEU 13 HD21 LEU 13 -8.732 -2.281 11.580 93 HD22 LEU 13 HD22 LEU 13 -8.367 -1.471 10.056 94 HD23 LEU 13 HD23 LEU 13 -9.872 -1.117 10.905 95 HA PRO 14 HA PRO 14 -5.067 -2.991 15.542 96 HB2 PRO 14 HB2 PRO 14 -2.122 -2.825 15.152 97 HB3 PRO 14 HB1 PRO 14 -3.202 -4.222 14.981 98 HG2 PRO 14 HG2 PRO 14 -2.116 -3.030 12.847 99 HG3 PRO 14 HG1 PRO 14 -3.759 -3.695 12.802 100 HD2 PRO 14 HD2 PRO 14 -2.897 -0.834 13.111 101 HD3 PRO 14 HD1 PRO 14 -4.214 -1.505 12.124 102 H LEU 15 HN LEU 15 -2.154 -0.933 15.694 103 HA LEU 15 HA LEU 15 -2.159 -0.791 18.518 104 HB2 LEU 15 HB2 LEU 15 -0.773 0.893 16.429 105 HB3 LEU 15 HB1 LEU 15 -0.494 1.075 18.157 106 HG LEU 15 HG LEU 15 -0.159 -1.543 16.664 107 HD11 LEU 15 HD11 LEU 15 2.306 -1.053 16.916 108 HD12 LEU 15 HD12 LEU 15 1.868 0.589 17.386 109 HD13 LEU 15 HD13 LEU 15 1.466 -0.004 15.775 110 HD21 LEU 15 HD21 LEU 15 0.275 -0.634 19.502 111 HD22 LEU 15 HD22 LEU 15 1.381 -1.834 18.835 112 HD23 LEU 15 HD23 LEU 15 -0.344 -2.169 18.895 113 H LEU 16 HN LEU 16 -3.428 1.346 16.015 114 HA LEU 16 HA LEU 16 -4.036 3.565 17.610 115 HB2 LEU 16 HB2 LEU 16 -4.180 3.622 15.162 116 HB3 LEU 16 HB1 LEU 16 -5.514 2.474 15.198 117 HG LEU 16 HG LEU 16 -6.910 4.088 16.410 118 HD11 LEU 16 HD11 LEU 16 -5.476 5.369 17.752 119 HD12 LEU 16 HD12 LEU 16 -5.911 6.512 16.485 120 HD13 LEU 16 HD13 LEU 16 -4.354 5.686 16.429 121 HD21 LEU 16 HD21 LEU 16 -6.955 5.887 14.597 122 HD22 LEU 16 HD22 LEU 16 -7.080 4.222 14.032 123 HD23 LEU 16 HD23 LEU 16 -5.547 5.084 13.899 124 H ASN 17 HN ASN 17 -5.864 0.618 16.937 125 HA ASN 17 HA ASN 17 -8.238 1.305 18.294 126 HB2 ASN 17 HB2 ASN 17 -8.181 -0.570 16.768 127 HB3 ASN 17 HB1 ASN 17 -6.982 -1.395 17.762 128 HD21 ASN 17 HD21 ASN 17 -10.360 -0.183 17.843 129 HD22 ASN 17 HD22 ASN 17 -10.893 -1.299 19.006 130 H VAL 18 HN VAL 18 -5.224 -0.182 19.400 131 HA VAL 18 HA VAL 18 -6.084 -0.914 21.987 132 HB VAL 18 HB VAL 18 -3.349 -0.180 20.923 133 HG11 VAL 18 HG11 VAL 18 -2.618 -1.536 22.994 134 HG12 VAL 18 HG12 VAL 18 -4.238 -1.224 23.614 135 HG13 VAL 18 HG13 VAL 18 -3.154 0.122 23.264 136 HG21 VAL 18 HG21 VAL 18 -3.063 -2.669 21.008 137 HG22 VAL 18 HG22 VAL 18 -4.318 -2.155 19.882 138 HG23 VAL 18 HG23 VAL 18 -4.763 -2.809 21.458 139 H ILE 19 HN ILE 19 -4.485 2.039 20.792 140 HA ILE 19 HA ILE 19 -4.438 3.362 23.311 141 HB ILE 19 HB ILE 19 -4.505 4.614 20.555 142 HG12 ILE 19 HG12 ILE 19 -2.707 2.983 20.640 143 HG13 ILE 19 HG11 ILE 19 -2.013 4.594 20.760 144 HG21 ILE 19 HG21 ILE 19 -4.859 6.276 22.248 145 HG22 ILE 19 HG22 ILE 19 -3.170 6.394 21.759 146 HG23 ILE 19 HG23 ILE 19 -3.594 5.592 23.270 147 HD11 ILE 19 HD11 ILE 19 -2.229 4.165 23.364 148 HD12 ILE 19 HD12 ILE 19 -0.879 3.483 22.462 149 HD13 ILE 19 HD13 ILE 19 -2.264 2.474 22.870 150 H ALA 20 HN ALA 20 -6.717 3.384 20.586 151 HA ALA 20 HA ALA 20 -8.474 5.287 21.834 152 HB1 ALA 20 HB1 ALA 20 -9.107 3.356 19.591 153 HB2 ALA 20 HB2 ALA 20 -8.335 4.924 19.357 154 HB3 ALA 20 HB3 ALA 20 -9.975 4.837 19.997 155 HN1 NH2 21 H2 NH2 21 -9.481 1.539 23.002 156 HN2 NH2 21 H1 NH2 21 -8.091 1.823 22.072 Start of MODEL 49 1 H1 ACE 0 HA2 ACE 0 -0.067 -4.662 -4.505 2 H2 ACE 0 HA3 ACE 0 0.515 -5.858 -5.663 3 H3 ACE 0 HA1 ACE 0 1.333 -4.304 -5.515 4 H LEU 1 HN LEU 1 0.196 -5.824 -2.633 5 HA LEU 1 HA LEU 1 1.318 -6.555 -0.763 6 HB2 LEU 1 HB2 LEU 1 2.844 -7.988 -2.943 7 HB3 LEU 1 HB1 LEU 1 3.013 -8.351 -1.227 8 HG LEU 1 HG LEU 1 0.361 -8.408 -2.696 9 HD11 LEU 1 HD11 LEU 1 0.622 -10.870 -2.700 10 HD12 LEU 1 HD12 LEU 1 2.248 -10.691 -2.040 11 HD13 LEU 1 HD13 LEU 1 1.880 -10.085 -3.655 12 HD21 LEU 1 HD21 LEU 1 -0.063 -10.014 -0.632 13 HD22 LEU 1 HD22 LEU 1 -0.167 -8.271 -0.417 14 HD23 LEU 1 HD23 LEU 1 1.286 -9.134 0.084 15 H GLY 2 HN GLY 2 2.547 -4.283 -2.637 16 HA2 GLY 2 HA2 GLY 2 5.197 -4.150 -1.307 17 HA3 GLY 2 HA1 GLY 2 4.769 -3.327 -2.806 18 H LEU 3 HN LEU 3 2.446 -2.117 -2.303 19 HA LEU 3 HA LEU 3 3.164 0.144 -0.748 20 HB2 LEU 3 HB2 LEU 3 0.386 -0.654 -1.653 21 HB3 LEU 3 HB1 LEU 3 0.950 0.967 -1.247 22 HG LEU 3 HG LEU 3 2.017 -0.722 -3.531 23 HD11 LEU 3 HD11 LEU 3 -0.269 0.024 -3.970 24 HD12 LEU 3 HD12 LEU 3 0.853 0.965 -4.953 25 HD13 LEU 3 HD13 LEU 3 0.150 1.670 -3.498 26 HD21 LEU 3 HD21 LEU 3 3.773 0.727 -2.906 27 HD22 LEU 3 HD22 LEU 3 2.670 2.026 -2.459 28 HD23 LEU 3 HD23 LEU 3 2.939 1.641 -4.159 29 H LEU 4 HN LEU 4 1.322 -2.756 -0.095 30 HA LEU 4 HA LEU 4 0.014 -1.955 2.261 31 HB2 LEU 4 HB2 LEU 4 0.881 -4.614 1.151 32 HB3 LEU 4 HB1 LEU 4 0.172 -4.521 2.758 33 HG LEU 4 HG LEU 4 -1.468 -4.995 0.887 34 HD11 LEU 4 HD11 LEU 4 -3.186 -3.838 1.925 35 HD12 LEU 4 HD12 LEU 4 -2.247 -2.361 2.111 36 HD13 LEU 4 HD13 LEU 4 -1.947 -3.737 3.172 37 HD21 LEU 4 HD21 LEU 4 -2.061 -3.270 -0.656 38 HD22 LEU 4 HD22 LEU 4 -0.303 -3.381 -0.700 39 HD23 LEU 4 HD23 LEU 4 -1.080 -2.075 0.193 40 H SER 5 HN SER 5 3.249 -3.312 1.728 41 HA SER 5 HA SER 5 3.954 -3.792 4.389 42 HB2 SER 5 HB2 SER 5 5.682 -2.879 2.080 43 HB3 SER 5 HB1 SER 5 6.302 -3.485 3.612 44 HG SER 5 HG SER 5 4.378 -5.019 2.307 45 H TYR 6 HN TYR 6 4.259 -0.819 2.454 46 HA TYR 6 HA TYR 6 5.475 0.720 4.520 47 HB2 TYR 6 HB2 TYR 6 3.955 1.512 2.030 48 HB3 TYR 6 HB1 TYR 6 4.728 2.674 3.108 49 HD1 TYR 6 HD1 TYR 6 7.226 2.380 3.611 50 HD2 TYR 6 HD2 TYR 6 5.225 0.376 0.380 51 HE1 TYR 6 HE1 TYR 6 9.411 1.968 2.514 52 HE2 TYR 6 HE2 TYR 6 7.410 -0.035 -0.717 53 HH TYR 6 HH TYR 6 9.722 -0.143 -0.222 54 H GLY 7 HN GLY 7 2.133 0.238 3.470 55 HA2 GLY 7 HA2 GLY 7 1.115 2.004 5.580 56 HA3 GLY 7 HA1 GLY 7 0.169 1.240 4.305 57 H ALA 8 HN ALA 8 2.383 -0.843 5.848 58 HA ALA 8 HA ALA 8 0.423 -2.635 6.750 59 HB1 ALA 8 HB1 ALA 8 3.286 -2.333 7.687 60 HB2 ALA 8 HB2 ALA 8 2.740 -3.312 6.326 61 HB3 ALA 8 HB3 ALA 8 2.260 -3.741 7.967 62 H GLY 9 HN GLY 9 1.871 0.147 8.284 63 HA2 GLY 9 HA2 GLY 9 -0.070 0.003 10.438 64 HA3 GLY 9 HA1 GLY 9 1.606 -0.190 10.952 65 H VAL 10 HN VAL 10 2.271 1.656 11.830 66 HA VAL 10 HA VAL 10 2.816 3.864 12.098 67 HB VAL 10 HB VAL 10 2.049 4.227 9.200 68 HG11 VAL 10 HG11 VAL 10 2.483 6.318 10.321 69 HG12 VAL 10 HG12 VAL 10 3.907 5.934 9.358 70 HG13 VAL 10 HG13 VAL 10 3.924 5.662 11.098 71 HG21 VAL 10 HG21 VAL 10 3.560 2.321 9.343 72 HG22 VAL 10 HG22 VAL 10 4.629 3.212 10.426 73 HG23 VAL 10 HG23 VAL 10 4.459 3.715 8.743 74 H ALA 11 HN ALA 11 -0.240 2.809 11.207 75 HA ALA 11 HA ALA 11 -1.528 4.967 12.588 76 HB1 ALA 11 HB1 ALA 11 -1.774 4.758 9.588 77 HB2 ALA 11 HB2 ALA 11 -1.388 6.181 10.556 78 HB3 ALA 11 HB3 ALA 11 -3.020 5.517 10.578 79 H SER 12 HN SER 12 -1.832 2.214 10.399 80 HA SER 12 HA SER 12 -4.488 1.538 11.346 81 HB2 SER 12 HB2 SER 12 -3.979 1.058 9.038 82 HB3 SER 12 HB1 SER 12 -2.550 0.135 9.496 83 HG SER 12 HG SER 12 -3.959 -1.318 10.582 84 H LEU 13 HN LEU 13 -1.639 1.380 12.848 85 HA LEU 13 HA LEU 13 -2.394 -1.061 14.321 86 HB2 LEU 13 HB2 LEU 13 -0.092 -0.804 12.627 87 HB3 LEU 13 HB1 LEU 13 0.492 -0.871 14.284 88 HG LEU 13 HG LEU 13 -1.505 -2.860 13.159 89 HD11 LEU 13 HD11 LEU 13 0.485 -4.392 13.016 90 HD12 LEU 13 HD12 LEU 13 1.519 -2.989 13.291 91 HD13 LEU 13 HD13 LEU 13 0.513 -3.072 11.845 92 HD21 LEU 13 HD21 LEU 13 0.251 -2.756 15.632 93 HD22 LEU 13 HD22 LEU 13 -0.564 -4.222 15.091 94 HD23 LEU 13 HD23 LEU 13 -1.510 -2.814 15.571 95 HA PRO 14 HA PRO 14 0.145 1.738 17.286 96 HB2 PRO 14 HB2 PRO 14 0.328 4.363 15.909 97 HB3 PRO 14 HB1 PRO 14 1.607 3.421 16.700 98 HG2 PRO 14 HG2 PRO 14 1.494 3.687 14.034 99 HG3 PRO 14 HG1 PRO 14 2.052 2.186 14.800 100 HD2 PRO 14 HD2 PRO 14 -0.647 2.795 13.609 101 HD3 PRO 14 HD1 PRO 14 0.351 1.335 13.439 102 H LEU 15 HN LEU 15 -1.629 4.189 15.405 103 HA LEU 15 HA LEU 15 -3.056 5.213 17.625 104 HB2 LEU 15 HB2 LEU 15 -3.524 5.456 14.648 105 HB3 LEU 15 HB1 LEU 15 -4.447 6.347 15.855 106 HG LEU 15 HG LEU 15 -1.422 6.445 15.644 107 HD11 LEU 15 HD11 LEU 15 -3.480 8.408 14.586 108 HD12 LEU 15 HD12 LEU 15 -2.483 7.339 13.598 109 HD13 LEU 15 HD13 LEU 15 -1.730 8.622 14.543 110 HD21 LEU 15 HD21 LEU 15 -3.496 7.857 17.323 111 HD22 LEU 15 HD22 LEU 15 -2.015 8.710 16.894 112 HD23 LEU 15 HD23 LEU 15 -1.929 7.206 17.801 113 H LEU 16 HN LEU 16 -3.851 2.864 15.121 114 HA LEU 16 HA LEU 16 -6.581 2.570 15.693 115 HB2 LEU 16 HB2 LEU 16 -5.499 1.691 13.654 116 HB3 LEU 16 HB1 LEU 16 -4.640 0.502 14.629 117 HG LEU 16 HG LEU 16 -6.798 -0.476 15.341 118 HD11 LEU 16 HD11 LEU 16 -7.875 1.839 13.745 119 HD12 LEU 16 HD12 LEU 16 -8.414 1.208 15.301 120 HD13 LEU 16 HD13 LEU 16 -8.807 0.343 13.821 121 HD21 LEU 16 HD21 LEU 16 -5.757 -1.451 13.398 122 HD22 LEU 16 HD22 LEU 16 -6.354 -0.156 12.359 123 HD23 LEU 16 HD23 LEU 16 -7.482 -1.323 13.053 124 H ASN 17 HN ASN 17 -3.731 0.926 17.022 125 HA ASN 17 HA ASN 17 -5.106 -0.980 18.579 126 HB2 ASN 17 HB2 ASN 17 -2.727 -1.192 18.170 127 HB3 ASN 17 HB1 ASN 17 -2.410 0.324 19.012 128 HD21 ASN 17 HD21 ASN 17 -3.525 -3.034 19.501 129 HD22 ASN 17 HD22 ASN 17 -3.202 -3.069 21.168 130 H VAL 18 HN VAL 18 -4.069 2.335 19.278 131 HA VAL 18 HA VAL 18 -4.777 2.361 22.015 132 HB VAL 18 HB VAL 18 -4.595 4.590 19.973 133 HG11 VAL 18 HG11 VAL 18 -4.399 6.017 22.103 134 HG12 VAL 18 HG12 VAL 18 -5.091 4.638 22.958 135 HG13 VAL 18 HG13 VAL 18 -6.014 5.442 21.688 136 HG21 VAL 18 HG21 VAL 18 -2.747 3.535 22.134 137 HG22 VAL 18 HG22 VAL 18 -2.477 5.049 21.274 138 HG23 VAL 18 HG23 VAL 18 -2.464 3.521 20.393 139 H ILE 19 HN ILE 19 -6.561 3.300 19.090 140 HA ILE 19 HA ILE 19 -8.931 4.117 20.405 141 HB ILE 19 HB ILE 19 -8.452 3.084 17.598 142 HG12 ILE 19 HG12 ILE 19 -8.980 5.895 18.599 143 HG13 ILE 19 HG11 ILE 19 -7.358 5.244 18.364 144 HG21 ILE 19 HG21 ILE 19 -10.684 4.282 17.182 145 HG22 ILE 19 HG22 ILE 19 -10.914 4.232 18.930 146 HG23 ILE 19 HG23 ILE 19 -10.774 2.731 18.016 147 HD11 ILE 19 HD11 ILE 19 -8.261 6.557 16.396 148 HD12 ILE 19 HD12 ILE 19 -9.463 5.283 16.185 149 HD13 ILE 19 HD13 ILE 19 -7.748 4.915 16.010 150 H ALA 20 HN ALA 20 -7.877 1.036 19.022 151 HA ALA 20 HA ALA 20 -10.309 -0.361 19.596 152 HB1 ALA 20 HB1 ALA 20 -7.513 -1.358 19.008 153 HB2 ALA 20 HB2 ALA 20 -8.837 -1.184 17.857 154 HB3 ALA 20 HB3 ALA 20 -8.933 -2.395 19.136 155 HN1 NH2 21 H2 NH2 21 -7.828 -0.654 22.825 156 HN2 NH2 21 H1 NH2 21 -7.304 0.159 21.431 Start of MODEL 50 1 H1 ACE 0 HA2 ACE 0 0.634 -5.174 -0.263 2 H2 ACE 0 HA3 ACE 0 0.009 -6.786 0.090 3 H3 ACE 0 HA1 ACE 0 -0.573 -5.903 -1.321 4 H LEU 1 HN LEU 1 1.482 -5.067 -2.674 5 HA LEU 1 HA LEU 1 2.619 -7.365 -3.861 6 HB2 LEU 1 HB2 LEU 1 3.338 -4.436 -4.047 7 HB3 LEU 1 HB1 LEU 1 4.075 -5.678 -5.057 8 HG LEU 1 HG LEU 1 1.081 -5.220 -4.886 9 HD11 LEU 1 HD11 LEU 1 3.002 -4.252 -7.025 10 HD12 LEU 1 HD12 LEU 1 2.311 -3.224 -5.769 11 HD13 LEU 1 HD13 LEU 1 1.260 -3.977 -6.969 12 HD21 LEU 1 HD21 LEU 1 1.374 -7.371 -5.782 13 HD22 LEU 1 HD22 LEU 1 2.892 -6.950 -6.574 14 HD23 LEU 1 HD23 LEU 1 1.362 -6.386 -7.241 15 H GLY 2 HN GLY 2 3.912 -4.964 -1.603 16 HA2 GLY 2 HA2 GLY 2 5.931 -6.878 -0.696 17 HA3 GLY 2 HA1 GLY 2 6.534 -5.382 -1.399 18 H LEU 3 HN LEU 3 3.631 -5.776 0.567 19 HA LEU 3 HA LEU 3 2.947 -4.786 2.494 20 HB2 LEU 3 HB2 LEU 3 4.167 -5.603 4.227 21 HB3 LEU 3 HB1 LEU 3 5.213 -6.267 2.984 22 HG LEU 3 HG LEU 3 6.438 -3.964 3.101 23 HD11 LEU 3 HD11 LEU 3 4.426 -3.530 5.103 24 HD12 LEU 3 HD12 LEU 3 5.755 -2.471 4.645 25 HD13 LEU 3 HD13 LEU 3 5.978 -3.647 5.933 26 HD21 LEU 3 HD21 LEU 3 7.487 -6.025 3.761 27 HD22 LEU 3 HD22 LEU 3 6.573 -6.071 5.269 28 HD23 LEU 3 HD23 LEU 3 7.809 -4.837 5.025 29 H LEU 4 HN LEU 4 4.926 -3.251 0.353 30 HA LEU 4 HA LEU 4 5.665 -0.879 1.681 31 HB2 LEU 4 HB2 LEU 4 6.562 -1.493 -0.516 32 HB3 LEU 4 HB1 LEU 4 4.958 -1.343 -1.227 33 HG LEU 4 HG LEU 4 4.910 1.051 -0.705 34 HD11 LEU 4 HD11 LEU 4 7.470 0.380 0.736 35 HD12 LEU 4 HD12 LEU 4 6.117 1.377 1.273 36 HD13 LEU 4 HD13 LEU 4 7.247 1.998 0.073 37 HD21 LEU 4 HD21 LEU 4 6.661 1.776 -2.250 38 HD22 LEU 4 HD22 LEU 4 5.964 0.260 -2.821 39 HD23 LEU 4 HD23 LEU 4 7.532 0.260 -2.014 40 H SER 5 HN SER 5 2.749 -1.740 -0.165 41 HA SER 5 HA SER 5 1.459 0.783 0.172 42 HB2 SER 5 HB2 SER 5 -0.571 -0.427 -0.558 43 HB3 SER 5 HB1 SER 5 0.802 -0.774 -1.604 44 HG SER 5 HG SER 5 0.937 -2.528 0.310 45 H TYR 6 HN TYR 6 1.552 -2.222 1.976 46 HA TYR 6 HA TYR 6 -0.547 -1.699 3.792 47 HB2 TYR 6 HB2 TYR 6 0.384 -3.930 3.528 48 HB3 TYR 6 HB1 TYR 6 1.958 -3.369 4.087 49 HD1 TYR 6 HD2 TYR 6 -1.605 -3.774 5.115 50 HD2 TYR 6 HD1 TYR 6 2.462 -3.263 6.398 51 HE1 TYR 6 HE2 TYR 6 -2.291 -4.205 7.457 52 HE2 TYR 6 HE1 TYR 6 1.776 -3.696 8.744 53 HH TYR 6 HH TYR 6 -0.406 -5.115 9.783 54 H GLY 7 HN GLY 7 2.931 -1.021 3.906 55 HA2 GLY 7 HA2 GLY 7 2.831 0.156 6.532 56 HA3 GLY 7 HA1 GLY 7 4.206 0.160 5.435 57 H ALA 8 HN ALA 8 1.610 1.281 3.701 58 HA ALA 8 HA ALA 8 2.602 3.955 3.626 59 HB1 ALA 8 HB1 ALA 8 1.483 2.983 1.683 60 HB2 ALA 8 HB2 ALA 8 0.608 4.414 2.226 61 HB3 ALA 8 HB3 ALA 8 -0.008 2.809 2.607 62 H GLY 9 HN GLY 9 0.721 2.347 5.864 63 HA2 GLY 9 HA2 GLY 9 -0.022 4.837 7.188 64 HA3 GLY 9 HA1 GLY 9 -1.361 3.790 6.720 65 H VAL 10 HN VAL 10 1.859 3.387 8.198 66 HA VAL 10 HA VAL 10 1.201 1.099 9.703 67 HB VAL 10 HB VAL 10 3.333 3.203 10.099 68 HG11 VAL 10 HG11 VAL 10 2.854 0.555 11.490 69 HG12 VAL 10 HG12 VAL 10 3.046 2.141 12.235 70 HG13 VAL 10 HG13 VAL 10 4.427 1.352 11.473 71 HG21 VAL 10 HG21 VAL 10 3.429 0.392 8.962 72 HG22 VAL 10 HG22 VAL 10 4.788 1.508 9.084 73 HG23 VAL 10 HG23 VAL 10 3.442 1.874 8.006 74 H ALA 11 HN ALA 11 1.228 4.545 10.548 75 HA ALA 11 HA ALA 11 0.599 4.348 13.262 76 HB1 ALA 11 HB1 ALA 11 -0.398 6.646 12.939 77 HB2 ALA 11 HB2 ALA 11 -0.101 6.452 11.211 78 HB3 ALA 11 HB3 ALA 11 1.252 6.463 12.342 79 H SER 12 HN SER 12 -1.212 3.323 10.646 80 HA SER 12 HA SER 12 -3.847 3.965 11.572 81 HB2 SER 12 HB2 SER 12 -3.153 3.433 9.181 82 HB3 SER 12 HB1 SER 12 -3.110 1.743 9.675 83 HG SER 12 HG SER 12 -5.233 3.355 9.142 84 H LEU 13 HN LEU 13 -1.575 1.721 12.699 85 HA LEU 13 HA LEU 13 -3.705 -0.078 13.727 86 HB2 LEU 13 HB2 LEU 13 -1.116 -0.585 12.509 87 HB3 LEU 13 HB1 LEU 13 -1.175 -1.317 14.108 88 HG LEU 13 HG LEU 13 -3.398 -2.359 13.413 89 HD11 LEU 13 HD11 LEU 13 -3.974 -2.395 11.074 90 HD12 LEU 13 HD12 LEU 13 -2.469 -1.591 10.633 91 HD13 LEU 13 HD13 LEU 13 -3.719 -0.703 11.500 92 HD21 LEU 13 HD21 LEU 13 -2.251 -4.045 11.899 93 HD22 LEU 13 HD22 LEU 13 -1.413 -3.728 13.420 94 HD23 LEU 13 HD23 LEU 13 -0.837 -2.992 11.925 95 HA PRO 14 HA PRO 14 -0.704 0.652 17.520 96 HB2 PRO 14 HB2 PRO 14 0.243 3.401 16.785 97 HB3 PRO 14 HB1 PRO 14 1.113 2.090 17.609 98 HG2 PRO 14 HG2 PRO 14 1.614 2.684 15.063 99 HG3 PRO 14 HG1 PRO 14 1.615 1.004 15.634 100 HD2 PRO 14 HD2 PRO 14 -0.472 2.444 14.034 101 HD3 PRO 14 HD1 PRO 14 0.057 0.755 13.937 102 H LEU 15 HN LEU 15 -2.091 3.579 16.008 103 HA LEU 15 HA LEU 15 -3.155 4.670 18.395 104 HB2 LEU 15 HB2 LEU 15 -3.907 5.054 15.492 105 HB3 LEU 15 HB1 LEU 15 -4.624 5.980 16.807 106 HG LEU 15 HG LEU 15 -1.632 5.816 16.342 107 HD11 LEU 15 HD11 LEU 15 -1.874 8.074 15.301 108 HD12 LEU 15 HD12 LEU 15 -3.626 7.881 15.362 109 HD13 LEU 15 HD13 LEU 15 -2.657 6.803 14.360 110 HD21 LEU 15 HD21 LEU 15 -1.900 8.114 17.613 111 HD22 LEU 15 HD22 LEU 15 -1.948 6.615 18.532 112 HD23 LEU 15 HD23 LEU 15 -3.449 7.446 18.125 113 H LEU 16 HN LEU 16 -4.517 2.571 15.900 114 HA LEU 16 HA LEU 16 -7.149 2.472 16.914 115 HB2 LEU 16 HB2 LEU 16 -5.527 0.709 15.096 116 HB3 LEU 16 HB1 LEU 16 -7.122 0.186 15.624 117 HG LEU 16 HG LEU 16 -7.124 1.407 13.430 118 HD11 LEU 16 HD11 LEU 16 -8.638 3.171 15.331 119 HD12 LEU 16 HD12 LEU 16 -9.038 1.454 15.287 120 HD13 LEU 16 HD13 LEU 16 -9.161 2.425 13.825 121 HD21 LEU 16 HD21 LEU 16 -6.510 3.871 15.078 122 HD22 LEU 16 HD22 LEU 16 -6.623 3.740 13.323 123 HD23 LEU 16 HD23 LEU 16 -5.273 2.995 14.179 124 H ASN 17 HN ASN 17 -4.262 0.572 17.584 125 HA ASN 17 HA ASN 17 -5.433 -1.484 19.090 126 HB2 ASN 17 HB2 ASN 17 -3.121 -1.592 18.328 127 HB3 ASN 17 HB1 ASN 17 -2.695 -0.221 19.352 128 HD21 ASN 17 HD21 ASN 17 -4.159 -3.512 19.644 129 HD22 ASN 17 HD22 ASN 17 -3.456 -3.839 21.154 130 H VAL 18 HN VAL 18 -4.314 1.743 20.046 131 HA VAL 18 HA VAL 18 -4.625 1.420 22.835 132 HB VAL 18 HB VAL 18 -4.835 3.905 21.115 133 HG11 VAL 18 HG11 VAL 18 -4.780 3.499 24.110 134 HG12 VAL 18 HG12 VAL 18 -5.928 4.438 23.158 135 HG13 VAL 18 HG13 VAL 18 -4.277 5.017 23.368 136 HG21 VAL 18 HG21 VAL 18 -2.593 2.677 22.749 137 HG22 VAL 18 HG22 VAL 18 -2.524 4.283 22.024 138 HG23 VAL 18 HG23 VAL 18 -2.641 2.855 20.995 139 H ILE 19 HN ILE 19 -6.833 2.639 20.332 140 HA ILE 19 HA ILE 19 -9.010 3.184 22.063 141 HB ILE 19 HB ILE 19 -9.093 2.397 19.142 142 HG12 ILE 19 HG12 ILE 19 -7.563 4.272 19.457 143 HG13 ILE 19 HG11 ILE 19 -9.054 4.853 18.726 144 HG21 ILE 19 HG21 ILE 19 -11.038 3.813 20.974 145 HG22 ILE 19 HG22 ILE 19 -11.296 2.323 20.066 146 HG23 ILE 19 HG23 ILE 19 -11.167 3.862 19.215 147 HD11 ILE 19 HD11 ILE 19 -8.668 6.439 20.407 148 HD12 ILE 19 HD12 ILE 19 -8.053 5.237 21.538 149 HD13 ILE 19 HD13 ILE 19 -9.779 5.329 21.205 150 H ALA 20 HN ALA 20 -8.113 0.330 20.155 151 HA ALA 20 HA ALA 20 -10.395 -1.218 20.830 152 HB1 ALA 20 HB1 ALA 20 -8.752 -1.672 18.950 153 HB2 ALA 20 HB2 ALA 20 -9.210 -3.078 19.911 154 HB3 ALA 20 HB3 ALA 20 -7.650 -2.299 20.177 155 HN1 NH2 21 H2 NH2 21 -7.552 -2.016 23.692 156 HN2 NH2 21 H1 NH2 21 -7.059 -1.349 22.210
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