NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9224 | 1nj3 | 5669 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -12.006 5.743 -6.870 2 2H GLY 1 2H GLY 1 -12.694 4.296 -6.327 3 3H GLY 1 3H GLY 1 -12.401 5.553 -5.235 4 1HA GLY 1 1HA GLY 1 -14.011 6.954 -6.424 5 2HA GLY 1 2HA GLY 1 -14.360 5.582 -7.464 6 H SER 2 H SER 2 -14.471 6.724 -4.125 7 HA SER 2 HA SER 2 -15.864 6.242 -2.394 8 1HB SER 2 1HB SER 2 -17.642 6.875 -3.930 9 2HB SER 2 2HB SER 2 -17.647 5.258 -4.634 10 HG SER 2 HG SER 2 -18.481 6.067 -2.062 11 H THR 3 H THR 3 -14.395 4.683 -1.571 12 HA THR 3 HA THR 3 -15.386 1.924 -1.827 13 HB THR 3 HB THR 3 -13.270 2.182 -3.074 14 HG1 THR 3 HG1 THR 3 -13.100 0.205 -2.427 15 1HG2 THR 3 1HG2 THR 3 -11.168 2.427 -1.735 16 2HG2 THR 3 2HG2 THR 3 -12.169 3.034 -0.415 17 3HG2 THR 3 3HG2 THR 3 -12.110 3.903 -1.948 18 H SER 4 H SER 4 -13.798 0.703 0.041 19 HA SER 4 HA SER 4 -15.056 1.465 2.461 20 1HB SER 4 1HB SER 4 -13.120 -0.617 1.615 21 2HB SER 4 2HB SER 4 -13.119 -0.200 3.327 22 HG SER 4 HG SER 4 -15.494 -0.802 1.913 23 H ALA 5 H ALA 5 -11.548 1.021 2.201 24 HA ALA 5 HA ALA 5 -10.988 3.736 2.980 25 1HB ALA 5 1HB ALA 5 -10.540 1.499 4.949 26 2HB ALA 5 2HB ALA 5 -11.606 2.890 5.143 27 3HB ALA 5 3HB ALA 5 -9.858 3.118 5.098 28 H MET 6 H MET 6 -9.346 4.151 1.652 29 HA MET 6 HA MET 6 -7.549 2.145 0.720 30 1HB MET 6 1HB MET 6 -7.581 5.147 0.475 31 2HB MET 6 2HB MET 6 -6.358 4.145 -0.272 32 1HG MET 6 1HG MET 6 -7.685 4.022 -2.039 33 2HG MET 6 2HG MET 6 -8.729 2.981 -1.074 34 1HE MET 6 1HE MET 6 -9.386 7.407 -2.083 35 2HE MET 6 2HE MET 6 -8.489 6.250 -3.065 36 3HE MET 6 3HE MET 6 -7.844 6.773 -1.509 37 H TRP 7 H TRP 7 -5.092 2.775 0.791 38 HA TRP 7 HA TRP 7 -4.355 3.694 3.466 39 1HB TRP 7 1HB TRP 7 -2.727 1.821 3.695 40 2HB TRP 7 2HB TRP 7 -4.407 1.324 3.758 41 HD1 TRP 7 HD1 TRP 7 -5.359 0.055 1.480 42 HE1 TRP 7 HE1 TRP 7 -4.103 -1.479 -0.174 43 HE3 TRP 7 HE3 TRP 7 -0.550 1.404 2.598 44 HZ2 TRP 7 HZ2 TRP 7 -1.442 -2.050 -0.884 45 HZ3 TRP 7 HZ3 TRP 7 1.292 0.318 1.378 46 HH2 TRP 7 HH2 TRP 7 0.859 -1.367 -0.337 47 H ALA 8 H ALA 8 -2.069 4.136 3.716 48 HA ALA 8 HA ALA 8 -0.898 5.106 1.190 49 1HB ALA 8 1HB ALA 8 0.248 6.801 2.513 50 2HB ALA 8 2HB ALA 8 -0.448 6.138 3.992 51 3HB ALA 8 3HB ALA 8 -1.493 6.879 2.780 52 H CYS 9 H CYS 9 0.768 3.949 0.502 53 HA CYS 9 HA CYS 9 2.049 1.974 2.045 54 1HB CYS 9 1HB CYS 9 1.795 2.072 -0.490 55 2HB CYS 9 2HB CYS 9 3.158 3.190 -0.474 56 H GLN 10 H GLN 10 4.397 1.838 2.422 57 HA GLN 10 HA GLN 10 5.500 4.459 3.169 58 1HB GLN 10 1HB GLN 10 6.203 1.903 4.592 59 2HB GLN 10 2HB GLN 10 6.414 3.559 5.143 60 1HG GLN 10 1HG GLN 10 4.569 3.228 6.334 61 2HG GLN 10 2HG GLN 10 3.701 3.385 4.808 62 1HE2 GLN 10 1HE2 GLN 10 2.943 1.538 3.773 63 2HE2 GLN 10 2HE2 GLN 10 2.811 0.018 4.583 64 H HIS 11 H HIS 11 5.866 3.105 0.649 65 HA HIS 11 HA HIS 11 8.787 2.850 0.720 66 1HB HIS 11 1HB HIS 11 7.655 0.563 0.644 67 2HB HIS 11 2HB HIS 11 7.062 1.015 -0.951 68 HD1 HIS 11 HD1 HIS 11 8.694 0.878 -2.891 69 HD2 HIS 11 HD2 HIS 11 10.469 0.183 0.797 70 HE1 HIS 11 HE1 HIS 11 10.997 0.023 -3.410 71 HE2 HIS 11 HE2 HIS 11 12.082 -0.308 -1.163 72 H CYS 12 H CYS 12 6.021 2.782 -1.515 73 HA CYS 12 HA CYS 12 7.446 4.394 -3.441 74 1HB CYS 12 1HB CYS 12 5.295 4.156 -4.703 75 2HB CYS 12 2HB CYS 12 6.096 2.641 -4.352 76 H THR 13 H THR 13 5.051 4.670 -0.971 77 HA THR 13 HA THR 13 4.157 6.437 0.097 78 HB THR 13 HB THR 13 5.185 8.471 0.045 79 HG1 THR 13 HG1 THR 13 4.908 9.393 -1.840 80 1HG2 THR 13 1HG2 THR 13 7.443 7.317 -1.453 81 2HG2 THR 13 2HG2 THR 13 6.909 6.458 -0.009 82 3HG2 THR 13 3HG2 THR 13 7.411 8.145 0.105 83 H PHE 14 H PHE 14 2.738 5.199 -1.907 84 HA PHE 14 HA PHE 14 1.189 7.436 -3.016 85 1HB PHE 14 1HB PHE 14 2.353 6.138 -4.765 86 2HB PHE 14 2HB PHE 14 1.532 4.686 -4.219 87 HD1 PHE 14 HD1 PHE 14 -0.295 4.027 -5.429 88 HD2 PHE 14 HD2 PHE 14 0.663 8.169 -5.243 89 HE1 PHE 14 HE1 PHE 14 -2.170 4.524 -6.942 90 HE2 PHE 14 HE2 PHE 14 -1.212 8.675 -6.754 91 HZ PHE 14 HZ PHE 14 -2.632 6.851 -7.605 92 H MET 15 H MET 15 -1.102 6.817 -3.437 93 HA MET 15 HA MET 15 -2.182 5.524 -1.067 94 1HB MET 15 1HB MET 15 -3.171 7.642 -1.784 95 2HB MET 15 2HB MET 15 -3.542 6.962 -3.362 96 1HG MET 15 1HG MET 15 -4.649 5.494 -1.071 97 2HG MET 15 2HG MET 15 -5.287 7.120 -1.313 98 1HE MET 15 1HE MET 15 -6.726 6.984 -4.895 99 2HE MET 15 2HE MET 15 -4.970 7.104 -4.776 100 3HE MET 15 3HE MET 15 -5.994 7.983 -3.640 101 H ASN 16 H ASN 16 -3.619 3.800 -1.094 102 HA ASN 16 HA ASN 16 -3.744 2.259 -3.581 103 1HB ASN 16 1HB ASN 16 -1.857 1.725 -1.775 104 2HB ASN 16 2HB ASN 16 -3.173 0.810 -1.069 105 1HD2 ASN 16 1HD2 ASN 16 -1.318 1.295 -4.006 106 2HD2 ASN 16 2HD2 ASN 16 -1.516 -0.305 -4.621 107 H GLN 17 H GLN 17 -5.439 0.733 -3.691 108 HA GLN 17 HA GLN 17 -7.825 1.493 -2.397 109 1HB GLN 17 1HB GLN 17 -7.015 -0.636 -4.264 110 2HB GLN 17 2HB GLN 17 -8.524 -0.865 -3.403 111 1HG GLN 17 1HG GLN 17 -7.911 1.642 -4.932 112 2HG GLN 17 2HG GLN 17 -8.631 0.226 -5.695 113 1HE2 GLN 17 1HE2 GLN 17 -9.237 3.075 -4.076 114 2HE2 GLN 17 2HE2 GLN 17 -10.897 2.810 -3.679 115 HA PRO 18 HA PRO 18 -7.925 -0.997 1.242 116 1HB PRO 18 1HB PRO 18 -10.501 -1.789 1.401 117 2HB PRO 18 2HB PRO 18 -10.010 -0.109 1.646 118 1HG PRO 18 1HG PRO 18 -11.170 -1.408 -0.788 119 2HG PRO 18 2HG PRO 18 -11.558 0.165 -0.065 120 1HD PRO 18 1HD PRO 18 -9.927 -0.114 -2.222 121 2HD PRO 18 2HD PRO 18 -9.752 1.199 -1.043 122 H GLY 19 H GLY 19 -8.481 -2.455 -1.780 123 1HA GLY 19 1HA GLY 19 -8.529 -5.142 -0.560 124 2HA GLY 19 2HA GLY 19 -9.104 -4.770 -2.179 125 H THR 20 H THR 20 -6.551 -2.949 -2.212 126 HA THR 20 HA THR 20 -4.849 -5.011 -3.380 127 HB THR 20 HB THR 20 -3.524 -2.807 -3.970 128 HG1 THR 20 HG1 THR 20 -4.748 -1.371 -2.788 129 1HG2 THR 20 1HG2 THR 20 -4.721 -4.288 -5.575 130 2HG2 THR 20 2HG2 THR 20 -4.695 -2.578 -6.009 131 3HG2 THR 20 3HG2 THR 20 -6.154 -3.292 -5.323 132 H GLY 21 H GLY 21 -4.684 -5.550 -0.848 133 1HA GLY 21 1HA GLY 21 -3.185 -4.142 0.940 134 2HA GLY 21 2HA GLY 21 -3.075 -5.884 0.778 135 H HIS 22 H HIS 22 -2.034 -5.707 -1.969 136 HA HIS 22 HA HIS 22 0.728 -5.492 -1.284 137 1HB HIS 22 1HB HIS 22 -0.734 -6.056 -3.860 138 2HB HIS 22 2HB HIS 22 1.016 -5.876 -3.816 139 HD1 HIS 22 HD1 HIS 22 -1.569 -7.925 -1.902 140 HD2 HIS 22 HD2 HIS 22 2.235 -8.261 -3.538 141 HE1 HIS 22 HE1 HIS 22 -0.865 -10.303 -1.482 142 HE2 HIS 22 HE2 HIS 22 1.475 -10.459 -2.404 143 H CYS 23 H CYS 23 0.233 -4.174 -4.396 144 HA CYS 23 HA CYS 23 -0.278 -1.521 -3.927 145 1HB CYS 23 1HB CYS 23 2.167 -2.174 -2.761 146 2HB CYS 23 2HB CYS 23 2.589 -1.383 -4.260 147 H GLU 24 H GLU 24 0.058 -0.180 -5.731 148 HA GLU 24 HA GLU 24 0.678 -1.670 -8.183 149 1HB GLU 24 1HB GLU 24 -1.372 0.258 -7.462 150 2HB GLU 24 2HB GLU 24 -0.504 0.753 -8.908 151 1HG GLU 24 1HG GLU 24 -1.723 -1.972 -8.551 152 2HG GLU 24 2HG GLU 24 -2.560 -0.614 -9.301 153 H MET 25 H MET 25 2.603 -0.368 -6.316 154 HA MET 25 HA MET 25 3.931 1.317 -8.316 155 1HB MET 25 1HB MET 25 3.180 2.023 -5.543 156 2HB MET 25 2HB MET 25 4.816 2.452 -6.022 157 1HG MET 25 1HG MET 25 3.424 4.326 -6.436 158 2HG MET 25 2HG MET 25 3.857 3.627 -7.995 159 1HE MET 25 1HE MET 25 0.939 2.896 -9.767 160 2HE MET 25 2HE MET 25 2.611 3.442 -9.633 161 3HE MET 25 3HE MET 25 1.291 4.605 -9.508 162 H CYS 26 H CYS 26 4.514 -0.081 -5.058 163 HA CYS 26 HA CYS 26 7.222 -0.708 -5.807 164 1HB CYS 26 1HB CYS 26 7.214 -1.768 -3.504 165 2HB CYS 26 2HB CYS 26 6.983 -0.034 -3.565 166 H SER 27 H SER 27 4.319 -2.558 -4.901 167 HA SER 27 HA SER 27 3.580 -4.543 -5.893 168 1HB SER 27 1HB SER 27 5.440 -4.268 -7.654 169 2HB SER 27 2HB SER 27 6.412 -5.280 -6.587 170 HG SER 27 HG SER 27 4.777 -6.880 -6.760 171 H LEU 28 H LEU 28 4.348 -3.825 -3.314 172 HA LEU 28 HA LEU 28 5.294 -6.365 -2.198 173 1HB LEU 28 1HB LEU 28 5.928 -3.545 -1.669 174 2HB LEU 28 2HB LEU 28 5.711 -4.530 -0.262 175 HG LEU 28 HG LEU 28 7.654 -5.106 -2.487 176 1HD1 LEU 28 1HD1 LEU 28 7.936 -3.679 0.122 177 2HD1 LEU 28 2HD1 LEU 28 8.569 -3.250 -1.467 178 3HD1 LEU 28 3HD1 LEU 28 9.296 -4.570 -0.559 179 1HD2 LEU 28 1HD2 LEU 28 7.550 -6.364 0.244 180 2HD2 LEU 28 2HD2 LEU 28 8.519 -6.851 -1.146 181 3HD2 LEU 28 3HD2 LEU 28 6.772 -7.072 -1.170 182 HA PRO 29 HA PRO 29 1.588 -6.485 0.212 183 1HB PRO 29 1HB PRO 29 2.386 -7.432 2.596 184 2HB PRO 29 2HB PRO 29 2.479 -8.412 1.127 185 1HG PRO 29 1HG PRO 29 4.642 -6.914 2.548 186 2HG PRO 29 2HG PRO 29 4.697 -8.516 1.793 187 1HD PRO 29 1HD PRO 29 5.636 -6.205 0.617 188 2HD PRO 29 2HD PRO 29 5.130 -7.647 -0.280 189 H ARG 30 H ARG 30 0.383 -5.624 2.027 190 HA ARG 30 HA ARG 30 1.074 -2.934 2.626 191 1HB ARG 30 1HB ARG 30 -1.259 -4.362 2.544 192 2HB ARG 30 2HB ARG 30 -1.024 -4.151 4.267 193 1HG ARG 30 1HG ARG 30 -0.969 -1.767 4.036 194 2HG ARG 30 2HG ARG 30 -1.002 -1.898 2.277 195 1HD ARG 30 1HD ARG 30 -3.197 -1.337 3.440 196 2HD ARG 30 2HD ARG 30 -3.225 -2.653 2.267 197 HE ARG 30 HE ARG 30 -3.800 -4.075 3.953 198 1HH1 ARG 30 1HH1 ARG 30 -2.405 -1.205 5.363 199 2HH1 ARG 30 2HH1 ARG 30 -2.756 -1.682 6.990 200 1HH2 ARG 30 1HH2 ARG 30 -4.264 -4.705 6.093 201 2HH2 ARG 30 2HH2 ARG 30 -3.811 -3.669 7.405 202 H THR 31 H THR 31 2.006 -5.804 3.968 203 HA THR 31 HA THR 31 3.079 -4.438 6.296 204 HB THR 31 HB THR 31 1.272 -6.850 6.413 205 HG1 THR 31 HG1 THR 31 -0.058 -5.494 7.284 206 1HG2 THR 31 1HG2 THR 31 1.751 -7.076 8.766 207 2HG2 THR 31 2HG2 THR 31 2.952 -5.787 8.675 208 3HG2 THR 31 3HG2 THR 31 3.225 -7.310 7.828 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -18.253 6.755 -0.747 2 2H GLY 1 2H GLY 1 -17.739 5.819 -2.058 3 3H GLY 1 3H GLY 1 -17.180 5.470 -0.501 4 1HA GLY 1 1HA GLY 1 -19.551 5.030 0.145 5 2HA GLY 1 2HA GLY 1 -19.917 5.102 -1.572 6 H SER 2 H SER 2 -18.590 3.618 -2.970 7 HA SER 2 HA SER 2 -18.916 0.967 -2.127 8 1HB SER 2 1HB SER 2 -17.253 2.101 -4.388 9 2HB SER 2 2HB SER 2 -17.598 0.386 -4.173 10 HG SER 2 HG SER 2 -19.810 0.871 -4.392 11 H THR 3 H THR 3 -15.830 2.619 -2.831 12 HA THR 3 HA THR 3 -14.196 0.657 -1.683 13 HB THR 3 HB THR 3 -13.626 3.612 -1.978 14 HG1 THR 3 HG1 THR 3 -13.036 1.491 -3.760 15 1HG2 THR 3 1HG2 THR 3 -11.527 1.531 -2.209 16 2HG2 THR 3 2HG2 THR 3 -12.049 2.027 -0.599 17 3HG2 THR 3 3HG2 THR 3 -11.401 3.221 -1.723 18 H SER 4 H SER 4 -13.713 0.158 0.355 19 HA SER 4 HA SER 4 -15.041 1.375 2.530 20 1HB SER 4 1HB SER 4 -13.008 -0.771 2.199 21 2HB SER 4 2HB SER 4 -13.141 -0.032 3.795 22 HG SER 4 HG SER 4 -14.618 -1.613 3.858 23 H ALA 5 H ALA 5 -11.515 0.994 2.372 24 HA ALA 5 HA ALA 5 -11.052 3.819 2.677 25 1HB ALA 5 1HB ALA 5 -11.628 3.333 4.956 26 2HB ALA 5 2HB ALA 5 -9.886 3.596 4.859 27 3HB ALA 5 3HB ALA 5 -10.525 1.957 4.987 28 H MET 6 H MET 6 -9.287 4.225 1.530 29 HA MET 6 HA MET 6 -7.521 2.150 0.685 30 1HB MET 6 1HB MET 6 -7.554 5.138 0.340 31 2HB MET 6 2HB MET 6 -6.231 4.160 -0.257 32 1HG MET 6 1HG MET 6 -7.431 3.326 -1.968 33 2HG MET 6 2HG MET 6 -8.923 3.266 -1.031 34 1HE MET 6 1HE MET 6 -8.093 5.241 -4.416 35 2HE MET 6 2HE MET 6 -6.765 4.680 -3.400 36 3HE MET 6 3HE MET 6 -7.076 6.407 -3.571 37 H TRP 7 H TRP 7 -5.037 2.820 0.772 38 HA TRP 7 HA TRP 7 -4.351 3.725 3.464 39 1HB TRP 7 1HB TRP 7 -2.720 1.847 3.712 40 2HB TRP 7 2HB TRP 7 -4.405 1.362 3.776 41 HD1 TRP 7 HD1 TRP 7 -5.360 0.050 1.543 42 HE1 TRP 7 HE1 TRP 7 -4.118 -1.493 -0.112 43 HE3 TRP 7 HE3 TRP 7 -0.548 1.453 2.572 44 HZ2 TRP 7 HZ2 TRP 7 -1.462 -2.050 -0.857 45 HZ3 TRP 7 HZ3 TRP 7 1.284 0.369 1.335 46 HH2 TRP 7 HH2 TRP 7 0.841 -1.339 -0.352 47 H ALA 8 H ALA 8 -2.070 4.176 3.751 48 HA ALA 8 HA ALA 8 -0.870 5.157 1.245 49 1HB ALA 8 1HB ALA 8 -1.469 6.879 2.923 50 2HB ALA 8 2HB ALA 8 0.257 6.838 2.563 51 3HB ALA 8 3HB ALA 8 -0.350 6.124 4.058 52 H CYS 9 H CYS 9 0.761 3.966 0.532 53 HA CYS 9 HA CYS 9 2.031 1.968 2.056 54 1HB CYS 9 1HB CYS 9 1.750 2.021 -0.459 55 2HB CYS 9 2HB CYS 9 3.075 3.182 -0.497 56 H GLN 10 H GLN 10 4.346 1.792 2.467 57 HA GLN 10 HA GLN 10 5.520 4.397 3.160 58 1HB GLN 10 1HB GLN 10 5.540 1.783 4.649 59 2HB GLN 10 2HB GLN 10 6.760 3.013 4.951 60 1HG GLN 10 1HG GLN 10 3.789 3.270 5.325 61 2HG GLN 10 2HG GLN 10 5.026 3.224 6.580 62 1HE2 GLN 10 1HE2 GLN 10 3.619 5.120 4.008 63 2HE2 GLN 10 2HE2 GLN 10 4.248 6.645 4.521 64 H HIS 11 H HIS 11 5.853 3.070 0.655 65 HA HIS 11 HA HIS 11 8.760 2.694 0.719 66 1HB HIS 11 1HB HIS 11 7.174 0.518 0.479 67 2HB HIS 11 2HB HIS 11 7.265 1.004 -1.210 68 HD1 HIS 11 HD1 HIS 11 9.956 1.515 -1.929 69 HD2 HIS 11 HD2 HIS 11 9.144 -1.191 1.118 70 HE1 HIS 11 HE1 HIS 11 12.017 0.090 -1.734 71 HE2 HIS 11 HE2 HIS 11 11.536 -1.482 0.174 72 H CYS 12 H CYS 12 5.961 2.834 -1.473 73 HA CYS 12 HA CYS 12 7.476 4.392 -3.387 74 1HB CYS 12 1HB CYS 12 5.300 4.261 -4.655 75 2HB CYS 12 2HB CYS 12 6.091 2.726 -4.371 76 H THR 13 H THR 13 4.910 4.675 -1.057 77 HA THR 13 HA THR 13 4.136 6.479 0.092 78 HB THR 13 HB THR 13 6.448 7.494 -0.667 79 HG1 THR 13 HG1 THR 13 5.818 8.522 1.033 80 1HG2 THR 13 1HG2 THR 13 5.006 9.769 -1.735 81 2HG2 THR 13 2HG2 THR 13 4.982 8.381 -2.821 82 3HG2 THR 13 3HG2 THR 13 6.520 9.036 -2.262 83 H PHE 14 H PHE 14 2.748 5.231 -1.997 84 HA PHE 14 HA PHE 14 1.119 7.464 -2.992 85 1HB PHE 14 1HB PHE 14 2.270 6.262 -4.804 86 2HB PHE 14 2HB PHE 14 1.532 4.759 -4.275 87 HD1 PHE 14 HD1 PHE 14 0.472 8.220 -5.189 88 HD2 PHE 14 HD2 PHE 14 -0.291 4.042 -5.457 89 HE1 PHE 14 HE1 PHE 14 -1.462 8.671 -6.641 90 HE2 PHE 14 HE2 PHE 14 -2.227 4.484 -6.909 91 HZ PHE 14 HZ PHE 14 -2.814 6.801 -7.503 92 H MET 15 H MET 15 -1.168 6.816 -3.381 93 HA MET 15 HA MET 15 -2.163 5.426 -1.030 94 1HB MET 15 1HB MET 15 -3.171 7.580 -1.755 95 2HB MET 15 2HB MET 15 -3.691 6.813 -3.249 96 1HG MET 15 1HG MET 15 -5.334 5.597 -2.219 97 2HG MET 15 2HG MET 15 -4.520 5.616 -0.655 98 1HE MET 15 1HE MET 15 -4.828 9.148 -2.527 99 2HE MET 15 2HE MET 15 -6.584 9.309 -2.459 100 3HE MET 15 3HE MET 15 -5.855 7.978 -3.357 101 H ASN 16 H ASN 16 -3.622 3.709 -1.090 102 HA ASN 16 HA ASN 16 -3.733 2.212 -3.606 103 1HB ASN 16 1HB ASN 16 -1.860 1.666 -1.769 104 2HB ASN 16 2HB ASN 16 -3.177 0.710 -1.127 105 1HD2 ASN 16 1HD2 ASN 16 -1.337 1.349 -4.053 106 2HD2 ASN 16 2HD2 ASN 16 -1.462 -0.245 -4.704 107 H GLN 17 H GLN 17 -5.419 0.651 -3.719 108 HA GLN 17 HA GLN 17 -7.814 1.412 -2.452 109 1HB GLN 17 1HB GLN 17 -6.987 -0.753 -4.270 110 2HB GLN 17 2HB GLN 17 -8.509 -0.954 -3.424 111 1HG GLN 17 1HG GLN 17 -7.852 1.509 -5.009 112 2HG GLN 17 2HG GLN 17 -8.592 0.083 -5.734 113 1HE2 GLN 17 1HE2 GLN 17 -9.157 2.988 -4.204 114 2HE2 GLN 17 2HE2 GLN 17 -10.822 2.761 -3.803 115 HA PRO 18 HA PRO 18 -7.942 -0.985 1.244 116 1HB PRO 18 1HB PRO 18 -10.521 -1.788 1.381 117 2HB PRO 18 2HB PRO 18 -10.034 -0.106 1.617 118 1HG PRO 18 1HG PRO 18 -11.155 -1.426 -0.825 119 2HG PRO 18 2HG PRO 18 -11.562 0.149 -0.119 120 1HD PRO 18 1HD PRO 18 -9.905 -0.120 -2.247 121 2HD PRO 18 2HD PRO 18 -9.731 1.183 -1.055 122 H GLY 19 H GLY 19 -8.496 -2.505 -1.755 123 1HA GLY 19 1HA GLY 19 -8.500 -5.168 -0.480 124 2HA GLY 19 2HA GLY 19 -9.105 -4.836 -2.095 125 H THR 20 H THR 20 -6.563 -2.979 -2.156 126 HA THR 20 HA THR 20 -4.856 -5.020 -3.352 127 HB THR 20 HB THR 20 -3.557 -2.852 -3.997 128 HG1 THR 20 HG1 THR 20 -4.716 -1.454 -2.638 129 1HG2 THR 20 1HG2 THR 20 -4.791 -2.577 -5.964 130 2HG2 THR 20 2HG2 THR 20 -6.282 -3.128 -5.201 131 3HG2 THR 20 3HG2 THR 20 -4.978 -4.272 -5.518 132 H GLY 21 H GLY 21 -4.679 -5.561 -0.815 133 1HA GLY 21 1HA GLY 21 -3.176 -4.156 0.968 134 2HA GLY 21 2HA GLY 21 -3.056 -5.895 0.797 135 H HIS 22 H HIS 22 -2.028 -5.700 -1.953 136 HA HIS 22 HA HIS 22 0.736 -5.471 -1.277 137 1HB HIS 22 1HB HIS 22 -0.726 -6.031 -3.855 138 2HB HIS 22 2HB HIS 22 1.025 -5.858 -3.803 139 HD1 HIS 22 HD1 HIS 22 -1.572 -7.899 -1.896 140 HD2 HIS 22 HD2 HIS 22 2.230 -8.252 -3.535 141 HE1 HIS 22 HE1 HIS 22 -0.880 -10.280 -1.480 142 HE2 HIS 22 HE2 HIS 22 1.458 -10.447 -2.404 143 H CYS 23 H CYS 23 0.222 -4.152 -4.386 144 HA CYS 23 HA CYS 23 -0.292 -1.497 -3.900 145 1HB CYS 23 1HB CYS 23 2.159 -2.143 -2.762 146 2HB CYS 23 2HB CYS 23 2.578 -1.377 -4.274 147 H GLU 24 H GLU 24 0.154 -0.105 -5.693 148 HA GLU 24 HA GLU 24 0.674 -1.607 -8.166 149 1HB GLU 24 1HB GLU 24 -1.349 0.336 -7.409 150 2HB GLU 24 2HB GLU 24 -0.498 0.828 -8.866 151 1HG GLU 24 1HG GLU 24 -1.429 -0.784 -10.108 152 2HG GLU 24 2HG GLU 24 -1.313 -1.984 -8.822 153 H MET 25 H MET 25 2.614 -0.291 -6.302 154 HA MET 25 HA MET 25 3.939 1.376 -8.319 155 1HB MET 25 1HB MET 25 3.194 2.092 -5.557 156 2HB MET 25 2HB MET 25 4.851 2.477 -6.002 157 1HG MET 25 1HG MET 25 3.500 4.388 -6.425 158 2HG MET 25 2HG MET 25 3.980 3.699 -7.975 159 1HE MET 25 1HE MET 25 0.942 3.817 -9.825 160 2HE MET 25 2HE MET 25 2.673 4.088 -9.630 161 3HE MET 25 3HE MET 25 1.524 5.302 -9.070 162 H CYS 26 H CYS 26 4.506 -0.110 -5.101 163 HA CYS 26 HA CYS 26 7.219 -0.730 -5.872 164 1HB CYS 26 1HB CYS 26 7.206 -1.810 -3.561 165 2HB CYS 26 2HB CYS 26 7.051 -0.068 -3.629 166 H SER 27 H SER 27 4.314 -2.552 -4.911 167 HA SER 27 HA SER 27 3.537 -4.527 -5.898 168 1HB SER 27 1HB SER 27 5.375 -4.275 -7.684 169 2HB SER 27 2HB SER 27 6.351 -5.296 -6.629 170 HG SER 27 HG SER 27 4.568 -6.074 -8.386 171 H LEU 28 H LEU 28 4.346 -3.815 -3.330 172 HA LEU 28 HA LEU 28 5.283 -6.365 -2.225 173 1HB LEU 28 1HB LEU 28 5.939 -3.550 -1.697 174 2HB LEU 28 2HB LEU 28 5.728 -4.536 -0.290 175 HG LEU 28 HG LEU 28 7.648 -5.121 -2.532 176 1HD1 LEU 28 1HD1 LEU 28 9.243 -4.636 -0.454 177 2HD1 LEU 28 2HD1 LEU 28 7.898 -3.570 -0.024 178 3HD1 LEU 28 3HD1 LEU 28 8.725 -3.375 -1.572 179 1HD2 LEU 28 1HD2 LEU 28 7.555 -6.382 0.196 180 2HD2 LEU 28 2HD2 LEU 28 8.510 -6.877 -1.205 181 3HD2 LEU 28 3HD2 LEU 28 6.761 -7.083 -1.209 182 HA PRO 29 HA PRO 29 1.598 -6.470 0.217 183 1HB PRO 29 1HB PRO 29 2.412 -7.403 2.601 184 2HB PRO 29 2HB PRO 29 2.486 -8.393 1.138 185 1HG PRO 29 1HG PRO 29 4.670 -6.899 2.529 186 2HG PRO 29 2HG PRO 29 4.710 -8.505 1.782 187 1HD PRO 29 1HD PRO 29 5.650 -6.207 0.585 188 2HD PRO 29 2HD PRO 29 5.126 -7.648 -0.299 189 H ARG 30 H ARG 30 0.412 -5.606 2.048 190 HA ARG 30 HA ARG 30 1.100 -2.909 2.618 191 1HB ARG 30 1HB ARG 30 -1.226 -4.353 2.581 192 2HB ARG 30 2HB ARG 30 -0.968 -4.123 4.299 193 1HG ARG 30 1HG ARG 30 -0.937 -1.742 4.044 194 2HG ARG 30 2HG ARG 30 -0.982 -1.889 2.286 195 1HD ARG 30 1HD ARG 30 -3.173 -1.331 3.449 196 2HD ARG 30 2HD ARG 30 -3.200 -2.671 2.302 197 HE ARG 30 HE ARG 30 -3.733 -4.073 4.023 198 1HH1 ARG 30 1HH1 ARG 30 -2.423 -1.127 5.359 199 2HH1 ARG 30 2HH1 ARG 30 -2.776 -1.565 6.997 200 1HH2 ARG 30 1HH2 ARG 30 -4.199 -4.651 6.176 201 2HH2 ARG 30 2HH2 ARG 30 -3.784 -3.565 7.461 202 H THR 31 H THR 31 2.068 -5.764 3.966 203 HA THR 31 HA THR 31 3.164 -4.375 6.271 204 HB THR 31 HB THR 31 1.374 -6.796 6.429 205 HG1 THR 31 HG1 THR 31 0.052 -5.453 7.337 206 1HG2 THR 31 1HG2 THR 31 1.890 -7.023 8.767 207 2HG2 THR 31 2HG2 THR 31 3.061 -5.708 8.671 208 3HG2 THR 31 3HG2 THR 31 3.363 -7.222 7.819 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -20.391 1.354 1.724 2 2H GLY 1 2H GLY 1 -19.428 2.358 0.762 3 3H GLY 1 3H GLY 1 -18.772 0.953 1.437 4 1HA GLY 1 1HA GLY 1 -20.396 -0.369 0.119 5 2HA GLY 1 2HA GLY 1 -20.829 1.128 -0.692 6 H SER 2 H SER 2 -19.235 -1.565 -1.230 7 HA SER 2 HA SER 2 -17.690 -2.212 -2.769 8 1HB SER 2 1HB SER 2 -18.709 0.091 -3.835 9 2HB SER 2 2HB SER 2 -16.992 0.480 -3.742 10 HG SER 2 HG SER 2 -17.289 -0.526 -5.677 11 H THR 3 H THR 3 -16.481 1.027 -1.900 12 HA THR 3 HA THR 3 -13.981 -0.249 -1.021 13 HB THR 3 HB THR 3 -14.472 2.610 -1.879 14 HG1 THR 3 HG1 THR 3 -14.237 1.821 -3.792 15 1HG2 THR 3 1HG2 THR 3 -12.471 1.878 -0.270 16 2HG2 THR 3 2HG2 THR 3 -12.313 3.123 -1.509 17 3HG2 THR 3 3HG2 THR 3 -11.750 1.483 -1.830 18 H SER 4 H SER 4 -13.317 -0.068 1.034 19 HA SER 4 HA SER 4 -15.065 1.316 2.908 20 1HB SER 4 1HB SER 4 -13.882 -1.117 3.059 21 2HB SER 4 2HB SER 4 -12.700 -0.140 3.929 22 HG SER 4 HG SER 4 -15.359 -0.721 4.569 23 H ALA 5 H ALA 5 -11.522 0.951 2.744 24 HA ALA 5 HA ALA 5 -11.122 3.802 2.785 25 1HB ALA 5 1HB ALA 5 -11.621 3.303 5.157 26 2HB ALA 5 2HB ALA 5 -9.992 3.934 4.910 27 3HB ALA 5 3HB ALA 5 -10.237 2.210 5.187 28 H MET 6 H MET 6 -9.344 4.229 1.652 29 HA MET 6 HA MET 6 -7.630 2.138 0.748 30 1HB MET 6 1HB MET 6 -7.638 5.126 0.429 31 2HB MET 6 2HB MET 6 -6.331 4.147 -0.203 32 1HG MET 6 1HG MET 6 -7.506 3.729 -2.023 33 2HG MET 6 2HG MET 6 -8.763 2.974 -1.047 34 1HE MET 6 1HE MET 6 -10.677 5.474 0.325 35 2HE MET 6 2HE MET 6 -10.646 3.803 -0.239 36 3HE MET 6 3HE MET 6 -11.625 5.001 -1.086 37 H TRP 7 H TRP 7 -5.129 2.778 0.765 38 HA TRP 7 HA TRP 7 -4.365 3.629 3.453 39 1HB TRP 7 1HB TRP 7 -2.764 1.747 3.663 40 2HB TRP 7 2HB TRP 7 -4.444 1.248 3.691 41 HD1 TRP 7 HD1 TRP 7 -5.355 0.013 1.370 42 HE1 TRP 7 HE1 TRP 7 -4.063 -1.502 -0.280 43 HE3 TRP 7 HE3 TRP 7 -0.573 1.352 2.605 44 HZ2 TRP 7 HZ2 TRP 7 -1.388 -2.058 -0.940 45 HZ3 TRP 7 HZ3 TRP 7 1.295 0.284 1.411 46 HH2 TRP 7 HH2 TRP 7 0.901 -1.379 -0.334 47 H ALA 8 H ALA 8 -2.086 4.063 3.698 48 HA ALA 8 HA ALA 8 -0.917 5.059 1.180 49 1HB ALA 8 1HB ALA 8 -0.474 6.082 3.985 50 2HB ALA 8 2HB ALA 8 -1.532 6.818 2.781 51 3HB ALA 8 3HB ALA 8 0.210 6.759 2.508 52 H CYS 9 H CYS 9 0.764 3.929 0.489 53 HA CYS 9 HA CYS 9 2.059 1.957 2.030 54 1HB CYS 9 1HB CYS 9 1.813 2.038 -0.498 55 2HB CYS 9 2HB CYS 9 3.141 3.194 -0.493 56 H GLN 10 H GLN 10 4.400 1.840 2.420 57 HA GLN 10 HA GLN 10 5.490 4.469 3.157 58 1HB GLN 10 1HB GLN 10 6.667 3.303 5.018 59 2HB GLN 10 2HB GLN 10 4.916 3.271 5.168 60 1HG GLN 10 1HG GLN 10 6.343 0.986 3.885 61 2HG GLN 10 2HG GLN 10 6.298 1.131 5.642 62 1HE2 GLN 10 1HE2 GLN 10 4.855 -0.324 3.138 63 2HE2 GLN 10 2HE2 GLN 10 3.262 -0.534 3.772 64 H HIS 11 H HIS 11 5.866 3.125 0.639 65 HA HIS 11 HA HIS 11 8.786 2.872 0.713 66 1HB HIS 11 1HB HIS 11 7.617 0.585 0.627 67 2HB HIS 11 2HB HIS 11 7.093 1.043 -0.991 68 HD1 HIS 11 HD1 HIS 11 8.896 1.129 -2.842 69 HD2 HIS 11 HD2 HIS 11 10.326 -0.064 0.872 70 HE1 HIS 11 HE1 HIS 11 11.180 0.192 -3.275 71 HE2 HIS 11 HE2 HIS 11 12.061 -0.443 -1.001 72 H CYS 12 H CYS 12 6.032 2.786 -1.537 73 HA CYS 12 HA CYS 12 7.455 4.413 -3.450 74 1HB CYS 12 1HB CYS 12 5.314 4.164 -4.725 75 2HB CYS 12 2HB CYS 12 6.122 2.653 -4.372 76 H THR 13 H THR 13 5.050 4.670 -0.991 77 HA THR 13 HA THR 13 4.139 6.430 0.075 78 HB THR 13 HB THR 13 5.153 8.472 0.026 79 HG1 THR 13 HG1 THR 13 5.341 9.568 -1.741 80 1HG2 THR 13 1HG2 THR 13 7.454 7.441 -1.452 81 2HG2 THR 13 2HG2 THR 13 6.897 6.425 -0.121 82 3HG2 THR 13 3HG2 THR 13 7.347 8.104 0.179 83 H PHE 14 H PHE 14 2.733 5.181 -1.927 84 HA PHE 14 HA PHE 14 1.187 7.405 -3.067 85 1HB PHE 14 1HB PHE 14 2.330 6.062 -4.794 86 2HB PHE 14 2HB PHE 14 1.510 4.626 -4.206 87 HD1 PHE 14 HD1 PHE 14 0.623 8.089 -5.285 88 HD2 PHE 14 HD2 PHE 14 -0.311 3.939 -5.409 89 HE1 PHE 14 HE1 PHE 14 -1.264 8.563 -6.791 90 HE2 PHE 14 HE2 PHE 14 -2.200 4.405 -6.915 91 HZ PHE 14 HZ PHE 14 -2.678 6.718 -7.608 92 H MET 15 H MET 15 -1.105 6.817 -3.451 93 HA MET 15 HA MET 15 -2.184 5.560 -1.062 94 1HB MET 15 1HB MET 15 -2.981 7.754 -2.424 95 2HB MET 15 2HB MET 15 -4.007 6.549 -3.189 96 1HG MET 15 1HG MET 15 -4.412 5.912 -0.619 97 2HG MET 15 2HG MET 15 -4.067 7.631 -0.450 98 1HE MET 15 1HE MET 15 -7.187 9.347 -1.375 99 2HE MET 15 2HE MET 15 -5.516 9.545 -1.905 100 3HE MET 15 3HE MET 15 -5.868 9.148 -0.222 101 H ASN 16 H ASN 16 -3.605 3.833 -1.055 102 HA ASN 16 HA ASN 16 -3.816 2.306 -3.546 103 1HB ASN 16 1HB ASN 16 -1.859 1.744 -1.840 104 2HB ASN 16 2HB ASN 16 -3.147 0.857 -1.049 105 1HD2 ASN 16 1HD2 ASN 16 -1.255 1.187 -3.949 106 2HD2 ASN 16 2HD2 ASN 16 -1.584 -0.385 -4.584 107 H GLN 17 H GLN 17 -5.574 0.907 -3.678 108 HA GLN 17 HA GLN 17 -7.873 1.624 -2.223 109 1HB GLN 17 1HB GLN 17 -7.193 -0.370 -4.270 110 2HB GLN 17 2HB GLN 17 -8.648 -0.675 -3.341 111 1HG GLN 17 1HG GLN 17 -8.137 1.951 -4.696 112 2HG GLN 17 2HG GLN 17 -8.878 0.591 -5.538 113 1HE2 GLN 17 1HE2 GLN 17 -9.409 3.268 -3.594 114 2HE2 GLN 17 2HE2 GLN 17 -11.054 2.956 -3.166 115 HA PRO 18 HA PRO 18 -7.868 -1.117 1.232 116 1HB PRO 18 1HB PRO 18 -10.441 -1.875 1.479 117 2HB PRO 18 2HB PRO 18 -9.917 -0.213 1.772 118 1HG PRO 18 1HG PRO 18 -11.220 -1.388 -0.649 119 2HG PRO 18 2HG PRO 18 -11.539 0.160 0.153 120 1HD PRO 18 1HD PRO 18 -10.014 -0.088 -2.097 121 2HD PRO 18 2HD PRO 18 -9.792 1.206 -0.904 122 H GLY 19 H GLY 19 -8.443 -2.385 -1.837 123 1HA GLY 19 1HA GLY 19 -8.649 -5.136 -0.794 124 2HA GLY 19 2HA GLY 19 -9.094 -4.638 -2.420 125 H THR 20 H THR 20 -6.533 -2.938 -2.349 126 HA THR 20 HA THR 20 -4.802 -5.060 -3.366 127 HB THR 20 HB THR 20 -3.459 -2.798 -3.926 128 HG1 THR 20 HG1 THR 20 -6.178 -2.020 -4.051 129 1HG2 THR 20 1HG2 THR 20 -5.826 -3.702 -5.529 130 2HG2 THR 20 2HG2 THR 20 -4.231 -4.454 -5.561 131 3HG2 THR 20 3HG2 THR 20 -4.434 -2.788 -6.106 132 H GLY 21 H GLY 21 -4.569 -5.646 -0.942 133 1HA GLY 21 1HA GLY 21 -3.183 -4.107 0.886 134 2HA GLY 21 2HA GLY 21 -3.050 -5.852 0.779 135 H HIS 22 H HIS 22 -1.987 -5.730 -1.964 136 HA HIS 22 HA HIS 22 0.768 -5.506 -1.267 137 1HB HIS 22 1HB HIS 22 -0.679 -6.074 -3.851 138 2HB HIS 22 2HB HIS 22 1.071 -5.898 -3.797 139 HD1 HIS 22 HD1 HIS 22 -1.520 -7.929 -1.870 140 HD2 HIS 22 HD2 HIS 22 2.273 -8.292 -3.527 141 HE1 HIS 22 HE1 HIS 22 -0.825 -10.309 -1.445 142 HE2 HIS 22 HE2 HIS 22 1.436 -10.528 -2.533 143 H CYS 23 H CYS 23 0.278 -4.192 -4.387 144 HA CYS 23 HA CYS 23 -0.222 -1.539 -3.934 145 1HB CYS 23 1HB CYS 23 2.214 -2.193 -2.746 146 2HB CYS 23 2HB CYS 23 2.645 -1.402 -4.242 147 H GLU 24 H GLU 24 -0.005 -0.263 -5.755 148 HA GLU 24 HA GLU 24 0.702 -1.739 -8.186 149 1HB GLU 24 1HB GLU 24 -1.384 0.160 -7.493 150 2HB GLU 24 2HB GLU 24 -0.513 0.661 -8.934 151 1HG GLU 24 1HG GLU 24 -1.371 -0.987 -10.183 152 2HG GLU 24 2HG GLU 24 -1.264 -2.170 -8.881 153 H MET 25 H MET 25 2.610 -0.426 -6.330 154 HA MET 25 HA MET 25 3.912 1.293 -8.317 155 1HB MET 25 1HB MET 25 3.146 1.972 -5.545 156 2HB MET 25 2HB MET 25 4.784 2.414 -6.007 157 1HG MET 25 1HG MET 25 3.389 4.284 -6.416 158 2HG MET 25 2HG MET 25 3.832 3.599 -7.978 159 1HE MET 25 1HE MET 25 1.805 2.926 -9.841 160 2HE MET 25 2HE MET 25 2.303 4.551 -9.373 161 3HE MET 25 3HE MET 25 0.589 4.163 -9.521 162 H CYS 26 H CYS 26 4.531 -0.095 -5.064 163 HA CYS 26 HA CYS 26 7.238 -0.702 -5.836 164 1HB CYS 26 1HB CYS 26 7.261 -1.747 -3.526 165 2HB CYS 26 2HB CYS 26 7.019 -0.015 -3.596 166 H SER 27 H SER 27 4.362 -2.572 -4.884 167 HA SER 27 HA SER 27 3.632 -4.569 -5.865 168 1HB SER 27 1HB SER 27 5.490 -4.302 -7.628 169 2HB SER 27 2HB SER 27 6.470 -5.294 -6.548 170 HG SER 27 HG SER 27 3.982 -6.004 -7.717 171 H LEU 28 H LEU 28 4.388 -3.821 -3.292 172 HA LEU 28 HA LEU 28 5.363 -6.340 -2.151 173 1HB LEU 28 1HB LEU 28 5.941 -3.507 -1.631 174 2HB LEU 28 2HB LEU 28 5.730 -4.488 -0.221 175 HG LEU 28 HG LEU 28 7.701 -5.043 -2.424 176 1HD1 LEU 28 1HD1 LEU 28 7.881 -3.484 0.090 177 2HD1 LEU 28 2HD1 LEU 28 8.696 -3.245 -1.456 178 3HD1 LEU 28 3HD1 LEU 28 9.257 -4.495 -0.348 179 1HD2 LEU 28 1HD2 LEU 28 7.595 -6.284 0.315 180 2HD2 LEU 28 2HD2 LEU 28 8.584 -6.762 -1.061 181 3HD2 LEU 28 3HD2 LEU 28 6.844 -7.015 -1.103 182 HA PRO 29 HA PRO 29 1.636 -6.513 0.223 183 1HB PRO 29 1HB PRO 29 2.424 -7.443 2.615 184 2HB PRO 29 2HB PRO 29 2.549 -8.422 1.149 185 1HG PRO 29 1HG PRO 29 4.671 -6.887 2.590 186 2HG PRO 29 2HG PRO 29 4.763 -8.489 1.838 187 1HD PRO 29 1HD PRO 29 5.673 -6.163 0.667 188 2HD PRO 29 2HD PRO 29 5.202 -7.616 -0.231 189 H ARG 30 H ARG 30 0.391 -5.657 2.007 190 HA ARG 30 HA ARG 30 1.045 -2.961 2.621 191 1HB ARG 30 1HB ARG 30 -1.274 -4.408 2.492 192 2HB ARG 30 2HB ARG 30 -1.074 -4.203 4.220 193 1HG ARG 30 1HG ARG 30 -1.011 -1.810 3.986 194 2HG ARG 30 2HG ARG 30 -1.057 -1.952 2.228 195 1HD ARG 30 1HD ARG 30 -3.277 -2.272 2.197 196 2HD ARG 30 2HD ARG 30 -3.233 -3.357 3.586 197 HE ARG 30 HE ARG 30 -2.836 -0.588 4.258 198 1HH1 ARG 30 1HH1 ARG 30 -5.205 -3.091 3.708 199 2HH1 ARG 30 2HH1 ARG 30 -6.425 -2.319 4.663 200 1HH2 ARG 30 1HH2 ARG 30 -4.440 0.428 5.515 201 2HH2 ARG 30 2HH2 ARG 30 -5.992 -0.321 5.688 202 H THR 31 H THR 31 1.976 -5.825 3.978 203 HA THR 31 HA THR 31 2.994 -4.452 6.326 204 HB THR 31 HB THR 31 1.205 -6.878 6.408 205 HG1 THR 31 HG1 THR 31 1.140 -4.407 7.796 206 1HG2 THR 31 1HG2 THR 31 2.816 -5.803 8.712 207 2HG2 THR 31 2HG2 THR 31 3.149 -7.310 7.859 208 3HG2 THR 31 3HG2 THR 31 1.645 -7.121 8.760 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -16.972 -0.381 -7.710 2 2H GLY 1 2H GLY 1 -15.747 0.690 -7.248 3 3H GLY 1 3H GLY 1 -16.366 0.742 -8.822 4 1HA GLY 1 1HA GLY 1 -17.452 2.512 -7.888 5 2HA GLY 1 2HA GLY 1 -18.611 1.210 -7.670 6 H SER 2 H SER 2 -17.757 -0.158 -5.545 7 HA SER 2 HA SER 2 -18.058 1.791 -3.393 8 1HB SER 2 1HB SER 2 -18.578 -1.134 -3.687 9 2HB SER 2 2HB SER 2 -18.243 -0.508 -2.073 10 HG SER 2 HG SER 2 -20.188 0.256 -2.041 11 H THR 3 H THR 3 -16.712 1.827 -1.558 12 HA THR 3 HA THR 3 -14.314 0.228 -1.482 13 HB THR 3 HB THR 3 -14.039 3.221 -1.802 14 HG1 THR 3 HG1 THR 3 -14.406 2.649 -3.819 15 1HG2 THR 3 1HG2 THR 3 -11.715 2.898 -1.916 16 2HG2 THR 3 2HG2 THR 3 -11.884 1.145 -2.002 17 3HG2 THR 3 3HG2 THR 3 -12.261 1.995 -0.503 18 H SER 4 H SER 4 -13.463 0.096 0.545 19 HA SER 4 HA SER 4 -15.030 1.256 2.680 20 1HB SER 4 1HB SER 4 -12.750 -0.720 2.610 21 2HB SER 4 2HB SER 4 -13.401 -0.093 4.124 22 HG SER 4 HG SER 4 -14.343 -2.068 2.625 23 H ALA 5 H ALA 5 -11.496 0.926 2.498 24 HA ALA 5 HA ALA 5 -11.082 3.768 2.708 25 1HB ALA 5 1HB ALA 5 -9.920 3.680 4.875 26 2HB ALA 5 2HB ALA 5 -10.425 2.000 5.060 27 3HB ALA 5 3HB ALA 5 -11.633 3.285 5.016 28 H MET 6 H MET 6 -9.315 4.200 1.572 29 HA MET 6 HA MET 6 -7.547 2.140 0.701 30 1HB MET 6 1HB MET 6 -7.578 5.130 0.387 31 2HB MET 6 2HB MET 6 -6.273 4.150 -0.245 32 1HG MET 6 1HG MET 6 -7.478 3.984 -2.100 33 2HG MET 6 2HG MET 6 -8.509 2.875 -1.198 34 1HE MET 6 1HE MET 6 -7.947 6.559 -2.348 35 2HE MET 6 2HE MET 6 -8.136 6.773 -0.607 36 3HE MET 6 3HE MET 6 -9.373 7.379 -1.710 37 H TRP 7 H TRP 7 -5.062 2.804 0.774 38 HA TRP 7 HA TRP 7 -4.358 3.693 3.466 39 1HB TRP 7 1HB TRP 7 -2.731 1.816 3.700 40 2HB TRP 7 2HB TRP 7 -4.414 1.326 3.756 41 HD1 TRP 7 HD1 TRP 7 -5.361 0.041 1.494 42 HE1 TRP 7 HE1 TRP 7 -4.107 -1.491 -0.163 43 HE3 TRP 7 HE3 TRP 7 -0.554 1.422 2.582 44 HZ2 TRP 7 HZ2 TRP 7 -1.445 -2.046 -0.887 45 HZ3 TRP 7 HZ3 TRP 7 1.286 0.344 1.354 46 HH2 TRP 7 HH2 TRP 7 0.855 -1.348 -0.354 47 H ALA 8 H ALA 8 -2.077 4.141 3.744 48 HA ALA 8 HA ALA 8 -0.886 5.133 1.236 49 1HB ALA 8 1HB ALA 8 0.228 6.825 2.548 50 2HB ALA 8 2HB ALA 8 -0.368 6.108 4.045 51 3HB ALA 8 3HB ALA 8 -1.497 6.853 2.915 52 H CYS 9 H CYS 9 0.771 3.973 0.527 53 HA CYS 9 HA CYS 9 2.040 1.971 2.047 54 1HB CYS 9 1HB CYS 9 1.780 2.089 -0.485 55 2HB CYS 9 2HB CYS 9 3.147 3.200 -0.466 56 H GLN 10 H GLN 10 4.379 1.814 2.432 57 HA GLN 10 HA GLN 10 5.510 4.420 3.188 58 1HB GLN 10 1HB GLN 10 6.190 1.854 4.601 59 2HB GLN 10 2HB GLN 10 6.409 3.506 5.161 60 1HG GLN 10 1HG GLN 10 4.561 3.178 6.349 61 2HG GLN 10 2HG GLN 10 3.696 3.349 4.821 62 1HE2 GLN 10 1HE2 GLN 10 2.926 1.515 3.775 63 2HE2 GLN 10 2HE2 GLN 10 2.784 -0.009 4.575 64 H HIS 11 H HIS 11 5.862 3.086 0.663 65 HA HIS 11 HA HIS 11 8.778 2.784 0.734 66 1HB HIS 11 1HB HIS 11 7.568 0.521 0.630 67 2HB HIS 11 2HB HIS 11 7.052 1.000 -0.984 68 HD1 HIS 11 HD1 HIS 11 10.240 0.404 0.967 69 HD2 HIS 11 HD2 HIS 11 8.869 0.488 -2.950 70 HE1 HIS 11 HE1 HIS 11 12.168 -0.405 -0.439 71 HE2 HIS 11 HE2 HIS 11 11.334 -0.261 -2.815 72 H CYS 12 H CYS 12 6.007 2.801 -1.499 73 HA CYS 12 HA CYS 12 7.478 4.382 -3.416 74 1HB CYS 12 1HB CYS 12 5.297 4.228 -4.666 75 2HB CYS 12 2HB CYS 12 6.085 2.695 -4.362 76 H THR 13 H THR 13 4.930 4.671 -1.068 77 HA THR 13 HA THR 13 4.149 6.475 0.073 78 HB THR 13 HB THR 13 6.464 7.487 -0.680 79 HG1 THR 13 HG1 THR 13 6.002 8.984 0.735 80 1HG2 THR 13 1HG2 THR 13 5.040 9.767 -1.756 81 2HG2 THR 13 2HG2 THR 13 4.996 8.376 -2.840 82 3HG2 THR 13 3HG2 THR 13 6.544 9.015 -2.287 83 H PHE 14 H PHE 14 2.755 5.228 -2.003 84 HA PHE 14 HA PHE 14 1.137 7.462 -3.015 85 1HB PHE 14 1HB PHE 14 2.280 6.241 -4.819 86 2HB PHE 14 2HB PHE 14 1.537 4.746 -4.278 87 HD1 PHE 14 HD1 PHE 14 0.489 8.205 -5.215 88 HD2 PHE 14 HD2 PHE 14 -0.287 4.028 -5.456 89 HE1 PHE 14 HE1 PHE 14 -1.445 8.652 -6.669 90 HE2 PHE 14 HE2 PHE 14 -2.222 4.467 -6.912 91 HZ PHE 14 HZ PHE 14 -2.802 6.782 -7.520 92 H MET 15 H MET 15 -1.151 6.829 -3.394 93 HA MET 15 HA MET 15 -2.156 5.460 -1.038 94 1HB MET 15 1HB MET 15 -3.037 7.670 -2.327 95 2HB MET 15 2HB MET 15 -4.048 6.454 -3.098 96 1HG MET 15 1HG MET 15 -4.821 5.721 -0.887 97 2HG MET 15 2HG MET 15 -3.845 6.986 -0.143 98 1HE MET 15 1HE MET 15 -5.865 10.081 -0.333 99 2HE MET 15 2HE MET 15 -4.256 9.696 -0.943 100 3HE MET 15 3HE MET 15 -4.792 9.042 0.604 101 H ASN 16 H ASN 16 -3.616 3.744 -1.087 102 HA ASN 16 HA ASN 16 -3.746 2.244 -3.599 103 1HB ASN 16 1HB ASN 16 -1.858 1.692 -1.786 104 2HB ASN 16 2HB ASN 16 -3.172 0.748 -1.118 105 1HD2 ASN 16 1HD2 ASN 16 -1.301 1.327 -4.027 106 2HD2 ASN 16 2HD2 ASN 16 -1.474 -0.262 -4.683 107 H GLN 17 H GLN 17 -5.445 0.718 -3.723 108 HA GLN 17 HA GLN 17 -7.828 1.466 -2.430 109 1HB GLN 17 1HB GLN 17 -7.010 -0.678 -4.278 110 2HB GLN 17 2HB GLN 17 -8.524 -0.896 -3.421 111 1HG GLN 17 1HG GLN 17 -7.890 1.586 -4.984 112 2HG GLN 17 2HG GLN 17 -8.635 0.166 -5.716 113 1HE2 GLN 17 1HE2 GLN 17 -9.178 3.048 -4.116 114 2HE2 GLN 17 2HE2 GLN 17 -10.843 2.818 -3.713 115 HA PRO 18 HA PRO 18 -7.940 -0.986 1.232 116 1HB PRO 18 1HB PRO 18 -10.519 -1.777 1.385 117 2HB PRO 18 2HB PRO 18 -10.027 -0.097 1.619 118 1HG PRO 18 1HG PRO 18 -11.170 -1.413 -0.814 119 2HG PRO 18 2HG PRO 18 -11.569 0.162 -0.103 120 1HD PRO 18 1HD PRO 18 -9.924 -0.117 -2.247 121 2HD PRO 18 2HD PRO 18 -9.752 1.195 -1.065 122 H GLY 19 H GLY 19 -8.488 -2.477 -1.779 123 1HA GLY 19 1HA GLY 19 -8.534 -5.151 -0.529 124 2HA GLY 19 2HA GLY 19 -9.108 -4.797 -2.151 125 H THR 20 H THR 20 -6.562 -2.971 -2.203 126 HA THR 20 HA THR 20 -4.849 -5.036 -3.348 127 HB THR 20 HB THR 20 -3.539 -2.850 -3.986 128 HG1 THR 20 HG1 THR 20 -4.593 -1.043 -3.728 129 1HG2 THR 20 1HG2 THR 20 -6.164 -3.053 -5.356 130 2HG2 THR 20 2HG2 THR 20 -5.029 -4.398 -5.447 131 3HG2 THR 20 3HG2 THR 20 -4.554 -2.802 -6.028 132 H GLY 21 H GLY 21 -4.657 -5.575 -0.835 133 1HA GLY 21 1HA GLY 21 -3.176 -4.129 0.949 134 2HA GLY 21 2HA GLY 21 -3.054 -5.872 0.802 135 H HIS 22 H HIS 22 -2.024 -5.707 -1.950 136 HA HIS 22 HA HIS 22 0.739 -5.480 -1.278 137 1HB HIS 22 1HB HIS 22 -0.729 -6.046 -3.853 138 2HB HIS 22 2HB HIS 22 1.023 -5.873 -3.806 139 HD1 HIS 22 HD1 HIS 22 -1.571 -7.906 -1.884 140 HD2 HIS 22 HD2 HIS 22 2.227 -8.266 -3.532 141 HE1 HIS 22 HE1 HIS 22 -0.879 -10.287 -1.463 142 HE2 HIS 22 HE2 HIS 22 1.386 -10.505 -2.544 143 H CYS 23 H CYS 23 0.230 -4.169 -4.392 144 HA CYS 23 HA CYS 23 -0.282 -1.513 -3.921 145 1HB CYS 23 1HB CYS 23 2.160 -2.154 -2.761 146 2HB CYS 23 2HB CYS 23 2.591 -1.395 -4.273 147 H GLU 24 H GLU 24 0.130 -0.141 -5.718 148 HA GLU 24 HA GLU 24 0.694 -1.643 -8.181 149 1HB GLU 24 1HB GLU 24 -1.348 0.290 -7.445 150 2HB GLU 24 2HB GLU 24 -0.488 0.782 -8.897 151 1HG GLU 24 1HG GLU 24 -1.370 -2.032 -8.769 152 2HG GLU 24 2HG GLU 24 -2.629 -0.807 -8.928 153 H MET 25 H MET 25 2.614 -0.316 -6.308 154 HA MET 25 HA MET 25 3.940 1.364 -8.317 155 1HB MET 25 1HB MET 25 3.210 2.051 -5.534 156 2HB MET 25 2HB MET 25 4.845 2.477 -6.018 157 1HG MET 25 1HG MET 25 2.661 3.214 -7.869 158 2HG MET 25 2HG MET 25 2.763 4.099 -6.347 159 1HE MET 25 1HE MET 25 3.768 4.955 -9.925 160 2HE MET 25 2HE MET 25 4.017 3.234 -9.644 161 3HE MET 25 3HE MET 25 5.394 4.275 -9.983 162 H CYS 26 H CYS 26 4.507 -0.122 -5.099 163 HA CYS 26 HA CYS 26 7.222 -0.737 -5.868 164 1HB CYS 26 1HB CYS 26 7.209 -1.815 -3.555 165 2HB CYS 26 2HB CYS 26 7.055 -0.073 -3.627 166 H SER 27 H SER 27 4.322 -2.564 -4.902 167 HA SER 27 HA SER 27 3.550 -4.542 -5.888 168 1HB SER 27 1HB SER 27 5.391 -4.293 -7.671 169 2HB SER 27 2HB SER 27 6.368 -5.308 -6.609 170 HG SER 27 HG SER 27 3.790 -6.028 -7.547 171 H LEU 28 H LEU 28 4.350 -3.824 -3.320 172 HA LEU 28 HA LEU 28 5.290 -6.368 -2.206 173 1HB LEU 28 1HB LEU 28 5.934 -3.550 -1.680 174 2HB LEU 28 2HB LEU 28 5.722 -4.535 -0.272 175 HG LEU 28 HG LEU 28 7.652 -5.118 -2.506 176 1HD1 LEU 28 1HD1 LEU 28 7.975 -3.733 0.129 177 2HD1 LEU 28 2HD1 LEU 28 8.535 -3.234 -1.468 178 3HD1 LEU 28 3HD1 LEU 28 9.324 -4.569 -0.640 179 1HD2 LEU 28 1HD2 LEU 28 8.517 -6.863 -1.168 180 2HD2 LEU 28 2HD2 LEU 28 6.770 -7.078 -1.183 181 3HD2 LEU 28 3HD2 LEU 28 7.557 -6.372 0.226 182 HA PRO 29 HA PRO 29 1.595 -6.483 0.219 183 1HB PRO 29 1HB PRO 29 2.402 -7.422 2.603 184 2HB PRO 29 2HB PRO 29 2.484 -8.406 1.136 185 1HG PRO 29 1HG PRO 29 4.658 -6.911 2.543 186 2HG PRO 29 2HG PRO 29 4.706 -8.516 1.790 187 1HD PRO 29 1HD PRO 29 5.645 -6.209 0.605 188 2HD PRO 29 2HD PRO 29 5.131 -7.651 -0.286 189 H ARG 30 H ARG 30 0.396 -5.617 2.034 190 HA ARG 30 HA ARG 30 1.087 -2.924 2.623 191 1HB ARG 30 1HB ARG 30 -1.244 -4.356 2.554 192 2HB ARG 30 2HB ARG 30 -1.005 -4.140 4.275 193 1HG ARG 30 1HG ARG 30 -0.943 -1.753 4.028 194 2HG ARG 30 2HG ARG 30 -1.003 -1.898 2.271 195 1HD ARG 30 1HD ARG 30 -3.181 -1.328 3.452 196 2HD ARG 30 2HD ARG 30 -3.224 -2.663 2.301 197 HE ARG 30 HE ARG 30 -2.740 -3.485 5.013 198 1HH1 ARG 30 1HH1 ARG 30 -5.189 -2.729 2.646 199 2HH1 ARG 30 2HH1 ARG 30 -6.412 -3.677 3.424 200 1HH2 ARG 30 1HH2 ARG 30 -4.346 -4.731 6.039 201 2HH2 ARG 30 2HH2 ARG 30 -5.934 -4.813 5.351 202 H THR 31 H THR 31 2.027 -5.790 3.970 203 HA THR 31 HA THR 31 3.105 -4.416 6.291 204 HB THR 31 HB THR 31 1.300 -6.829 6.420 205 HG1 THR 31 HG1 THR 31 -0.031 -5.438 7.213 206 1HG2 THR 31 1HG2 THR 31 1.789 -7.059 8.767 207 2HG2 THR 31 2HG2 THR 31 2.979 -5.760 8.680 208 3HG2 THR 31 3HG2 THR 31 3.266 -7.279 7.829 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -15.763 -2.690 -5.667 2 2H GLY 1 2H GLY 1 -16.685 -1.981 -6.895 3 3H GLY 1 3H GLY 1 -16.631 -3.665 -6.743 4 1HA GLY 1 1HA GLY 1 -18.721 -2.731 -5.900 5 2HA GLY 1 2HA GLY 1 -17.808 -3.604 -4.679 6 H SER 2 H SER 2 -18.049 -2.624 -2.788 7 HA SER 2 HA SER 2 -18.198 0.303 -2.706 8 1HB SER 2 1HB SER 2 -19.985 -1.117 -1.606 9 2HB SER 2 2HB SER 2 -18.760 -1.613 -0.438 10 HG SER 2 HG SER 2 -19.721 1.010 -0.925 11 H THR 3 H THR 3 -16.262 1.228 -2.501 12 HA THR 3 HA THR 3 -14.016 -0.045 -1.313 13 HB THR 3 HB THR 3 -14.341 2.911 -1.837 14 HG1 THR 3 HG1 THR 3 -14.052 2.549 -3.904 15 1HG2 THR 3 1HG2 THR 3 -12.012 3.007 -2.099 16 2HG2 THR 3 2HG2 THR 3 -11.861 1.249 -2.107 17 3HG2 THR 3 3HG2 THR 3 -12.290 2.091 -0.618 18 H SER 4 H SER 4 -13.407 -0.138 0.747 19 HA SER 4 HA SER 4 -15.017 1.154 2.767 20 1HB SER 4 1HB SER 4 -12.917 -0.956 2.724 21 2HB SER 4 2HB SER 4 -13.119 -0.049 4.223 22 HG SER 4 HG SER 4 -14.958 -1.021 4.556 23 H ALA 5 H ALA 5 -11.475 0.869 2.606 24 HA ALA 5 HA ALA 5 -11.114 3.726 2.679 25 1HB ALA 5 1HB ALA 5 -10.308 2.111 5.094 26 2HB ALA 5 2HB ALA 5 -11.660 3.241 5.027 27 3HB ALA 5 3HB ALA 5 -10.009 3.829 4.835 28 H MET 6 H MET 6 -9.324 4.180 1.581 29 HA MET 6 HA MET 6 -7.551 2.117 0.723 30 1HB MET 6 1HB MET 6 -7.612 5.101 0.380 31 2HB MET 6 2HB MET 6 -6.275 4.143 -0.217 32 1HG MET 6 1HG MET 6 -7.448 3.339 -1.948 33 2HG MET 6 2HG MET 6 -8.923 3.168 -1.000 34 1HE MET 6 1HE MET 6 -11.124 5.649 -2.124 35 2HE MET 6 2HE MET 6 -10.487 5.996 -0.517 36 3HE MET 6 3HE MET 6 -10.700 4.325 -1.039 37 H TRP 7 H TRP 7 -5.066 2.812 0.785 38 HA TRP 7 HA TRP 7 -4.361 3.706 3.475 39 1HB TRP 7 1HB TRP 7 -2.726 1.835 3.709 40 2HB TRP 7 2HB TRP 7 -4.408 1.340 3.773 41 HD1 TRP 7 HD1 TRP 7 -5.360 0.046 1.523 42 HE1 TRP 7 HE1 TRP 7 -4.112 -1.483 -0.140 43 HE3 TRP 7 HE3 TRP 7 -0.552 1.445 2.577 44 HZ2 TRP 7 HZ2 TRP 7 -1.453 -2.030 -0.881 45 HZ3 TRP 7 HZ3 TRP 7 1.285 0.371 1.338 46 HH2 TRP 7 HH2 TRP 7 0.847 -1.324 -0.364 47 H ALA 8 H ALA 8 -2.068 4.146 3.743 48 HA ALA 8 HA ALA 8 -0.892 5.136 1.228 49 1HB ALA 8 1HB ALA 8 -1.472 6.887 2.850 50 2HB ALA 8 2HB ALA 8 0.268 6.804 2.572 51 3HB ALA 8 3HB ALA 8 -0.423 6.120 4.044 52 H CYS 9 H CYS 9 0.762 3.974 0.516 53 HA CYS 9 HA CYS 9 2.035 1.973 2.032 54 1HB CYS 9 1HB CYS 9 1.776 2.060 -0.491 55 2HB CYS 9 2HB CYS 9 3.108 3.213 -0.495 56 H GLN 10 H GLN 10 4.348 1.809 2.454 57 HA GLN 10 HA GLN 10 5.497 4.413 3.189 58 1HB GLN 10 1HB GLN 10 6.605 3.284 5.072 59 2HB GLN 10 2HB GLN 10 4.855 3.149 5.175 60 1HG GLN 10 1HG GLN 10 6.321 0.951 3.837 61 2HG GLN 10 2HG GLN 10 6.469 1.092 5.588 62 1HE2 GLN 10 1HE2 GLN 10 4.673 -0.174 3.096 63 2HE2 GLN 10 2HE2 GLN 10 3.231 -0.556 3.966 64 H HIS 11 H HIS 11 5.850 3.095 0.667 65 HA HIS 11 HA HIS 11 8.762 2.756 0.746 66 1HB HIS 11 1HB HIS 11 7.212 0.561 0.492 67 2HB HIS 11 2HB HIS 11 7.288 1.056 -1.196 68 HD1 HIS 11 HD1 HIS 11 9.811 1.340 -2.157 69 HD2 HIS 11 HD2 HIS 11 9.365 -0.849 1.346 70 HE1 HIS 11 HE1 HIS 11 11.938 0.013 -1.920 71 HE2 HIS 11 HE2 HIS 11 11.608 -1.368 0.162 72 H CYS 12 H CYS 12 6.002 2.820 -1.502 73 HA CYS 12 HA CYS 12 7.499 4.415 -3.388 74 1HB CYS 12 1HB CYS 12 5.328 4.280 -4.660 75 2HB CYS 12 2HB CYS 12 6.122 2.746 -4.378 76 H THR 13 H THR 13 4.922 4.682 -1.068 77 HA THR 13 HA THR 13 4.139 6.481 0.083 78 HB THR 13 HB THR 13 6.453 7.504 -0.659 79 HG1 THR 13 HG1 THR 13 5.979 9.057 0.716 80 1HG2 THR 13 1HG2 THR 13 6.528 9.052 -2.250 81 2HG2 THR 13 2HG2 THR 13 5.009 9.779 -1.728 82 3HG2 THR 13 3HG2 THR 13 4.994 8.395 -2.819 83 H PHE 14 H PHE 14 2.761 5.236 -2.010 84 HA PHE 14 HA PHE 14 1.138 7.468 -3.019 85 1HB PHE 14 1HB PHE 14 2.291 6.254 -4.822 86 2HB PHE 14 2HB PHE 14 1.551 4.755 -4.286 87 HD1 PHE 14 HD1 PHE 14 -0.268 4.032 -5.468 88 HD2 PHE 14 HD2 PHE 14 0.494 8.211 -5.221 89 HE1 PHE 14 HE1 PHE 14 -2.199 4.466 -6.928 90 HE2 PHE 14 HE2 PHE 14 -1.436 8.653 -6.681 91 HZ PHE 14 HZ PHE 14 -2.786 6.779 -7.537 92 H MET 15 H MET 15 -1.148 6.825 -3.409 93 HA MET 15 HA MET 15 -2.154 5.449 -1.055 94 1HB MET 15 1HB MET 15 -3.144 7.611 -1.811 95 2HB MET 15 2HB MET 15 -3.685 6.816 -3.283 96 1HG MET 15 1HG MET 15 -5.158 5.391 -2.050 97 2HG MET 15 2HG MET 15 -4.514 5.977 -0.517 98 1HE MET 15 1HE MET 15 -6.284 9.035 0.325 99 2HE MET 15 2HE MET 15 -4.712 9.251 -0.445 100 3HE MET 15 3HE MET 15 -4.991 7.873 0.620 101 H ASN 16 H ASN 16 -3.617 3.736 -1.112 102 HA ASN 16 HA ASN 16 -3.728 2.231 -3.621 103 1HB ASN 16 1HB ASN 16 -1.857 1.685 -1.783 104 2HB ASN 16 2HB ASN 16 -3.177 0.736 -1.136 105 1HD2 ASN 16 1HD2 ASN 16 -1.323 1.350 -4.056 106 2HD2 ASN 16 2HD2 ASN 16 -1.461 -0.245 -4.704 107 H GLN 17 H GLN 17 -5.418 0.675 -3.734 108 HA GLN 17 HA GLN 17 -7.813 1.446 -2.469 109 1HB GLN 17 1HB GLN 17 -6.988 -0.722 -4.287 110 2HB GLN 17 2HB GLN 17 -8.510 -0.922 -3.441 111 1HG GLN 17 1HG GLN 17 -7.852 1.541 -5.024 112 2HG GLN 17 2HG GLN 17 -8.591 0.116 -5.752 113 1HE2 GLN 17 1HE2 GLN 17 -9.140 3.004 -4.144 114 2HE2 GLN 17 2HE2 GLN 17 -10.812 2.782 -3.775 115 HA PRO 18 HA PRO 18 -7.951 -0.955 1.224 116 1HB PRO 18 1HB PRO 18 -10.531 -1.756 1.357 117 2HB PRO 18 2HB PRO 18 -10.044 -0.073 1.589 118 1HG PRO 18 1HG PRO 18 -11.161 -1.401 -0.850 119 2HG PRO 18 2HG PRO 18 -11.569 0.177 -0.149 120 1HD PRO 18 1HD PRO 18 -9.907 -0.100 -2.274 121 2HD PRO 18 2HD PRO 18 -9.738 1.208 -1.088 122 H GLY 19 H GLY 19 -8.489 -2.477 -1.776 123 1HA GLY 19 1HA GLY 19 -8.505 -5.140 -0.497 124 2HA GLY 19 2HA GLY 19 -9.103 -4.808 -2.116 125 H THR 20 H THR 20 -6.559 -2.958 -2.179 126 HA THR 20 HA THR 20 -4.852 -5.009 -3.357 127 HB THR 20 HB THR 20 -3.549 -2.838 -4.007 128 HG1 THR 20 HG1 THR 20 -4.607 -1.335 -2.803 129 1HG2 THR 20 1HG2 THR 20 -6.123 -2.747 -5.385 130 2HG2 THR 20 2HG2 THR 20 -5.347 -4.330 -5.350 131 3HG2 THR 20 3HG2 THR 20 -4.492 -2.942 -6.024 132 H GLY 21 H GLY 21 -4.680 -5.533 -0.817 133 1HA GLY 21 1HA GLY 21 -3.177 -4.116 0.958 134 2HA GLY 21 2HA GLY 21 -3.060 -5.857 0.800 135 H HIS 22 H HIS 22 -2.028 -5.681 -1.951 136 HA HIS 22 HA HIS 22 0.735 -5.459 -1.274 137 1HB HIS 22 1HB HIS 22 -0.724 -6.013 -3.856 138 2HB HIS 22 2HB HIS 22 1.028 -5.857 -3.796 139 HD1 HIS 22 HD1 HIS 22 -1.592 -7.864 -1.883 140 HD2 HIS 22 HD2 HIS 22 2.200 -8.268 -3.535 141 HE1 HIS 22 HE1 HIS 22 -0.927 -10.254 -1.465 142 HE2 HIS 22 HE2 HIS 22 1.406 -10.450 -2.398 143 H CYS 23 H CYS 23 0.229 -4.145 -4.386 144 HA CYS 23 HA CYS 23 -0.274 -1.488 -3.911 145 1HB CYS 23 1HB CYS 23 2.173 -2.137 -2.763 146 2HB CYS 23 2HB CYS 23 2.599 -1.381 -4.278 147 H GLU 24 H GLU 24 0.141 -0.116 -5.711 148 HA GLU 24 HA GLU 24 0.675 -1.623 -8.176 149 1HB GLU 24 1HB GLU 24 -1.338 0.334 -7.429 150 2HB GLU 24 2HB GLU 24 -0.483 0.815 -8.886 151 1HG GLU 24 1HG GLU 24 -1.415 -0.802 -10.124 152 2HG GLU 24 2HG GLU 24 -1.320 -1.993 -8.827 153 H MET 25 H MET 25 2.621 -0.321 -6.315 154 HA MET 25 HA MET 25 3.956 1.343 -8.331 155 1HB MET 25 1HB MET 25 2.949 2.259 -5.849 156 2HB MET 25 2HB MET 25 4.698 2.186 -5.687 157 1HG MET 25 1HG MET 25 3.458 3.490 -8.069 158 2HG MET 25 2HG MET 25 3.585 4.354 -6.538 159 1HE MET 25 1HE MET 25 6.874 3.259 -9.468 160 2HE MET 25 2HE MET 25 5.422 4.176 -9.871 161 3HE MET 25 3HE MET 25 5.287 2.505 -9.334 162 H CYS 26 H CYS 26 4.537 -0.117 -5.103 163 HA CYS 26 HA CYS 26 7.237 -0.770 -5.885 164 1HB CYS 26 1HB CYS 26 7.206 -1.863 -3.569 165 2HB CYS 26 2HB CYS 26 7.103 -0.116 -3.644 166 H SER 27 H SER 27 4.331 -2.575 -4.897 167 HA SER 27 HA SER 27 3.534 -4.544 -5.886 168 1HB SER 27 1HB SER 27 5.367 -4.313 -7.677 169 2HB SER 27 2HB SER 27 6.343 -5.333 -6.619 170 HG SER 27 HG SER 27 3.989 -5.952 -8.022 171 H LEU 28 H LEU 28 4.353 -3.835 -3.319 172 HA LEU 28 HA LEU 28 5.277 -6.388 -2.213 173 1HB LEU 28 1HB LEU 28 5.941 -3.576 -1.681 174 2HB LEU 28 2HB LEU 28 5.724 -4.563 -0.275 175 HG LEU 28 HG LEU 28 7.642 -5.152 -2.515 176 1HD1 LEU 28 1HD1 LEU 28 8.717 -3.401 -1.553 177 2HD1 LEU 28 2HD1 LEU 28 9.239 -4.667 -0.445 178 3HD1 LEU 28 3HD1 LEU 28 7.899 -3.608 -0.002 179 1HD2 LEU 28 1HD2 LEU 28 7.550 -6.413 0.217 180 2HD2 LEU 28 2HD2 LEU 28 8.504 -6.908 -1.180 181 3HD2 LEU 28 3HD2 LEU 28 6.755 -7.112 -1.193 182 HA PRO 29 HA PRO 29 1.584 -6.483 0.218 183 1HB PRO 29 1HB PRO 29 2.389 -7.429 2.602 184 2HB PRO 29 2HB PRO 29 2.463 -8.413 1.135 185 1HG PRO 29 1HG PRO 29 4.649 -6.934 2.536 186 2HG PRO 29 2HG PRO 29 4.684 -8.538 1.782 187 1HD PRO 29 1HD PRO 29 5.638 -6.236 0.599 188 2HD PRO 29 2HD PRO 29 5.110 -7.674 -0.293 189 H ARG 30 H ARG 30 0.394 -5.615 2.039 190 HA ARG 30 HA ARG 30 1.097 -2.927 2.626 191 1HB ARG 30 1HB ARG 30 -1.239 -4.354 2.565 192 2HB ARG 30 2HB ARG 30 -0.993 -4.132 4.286 193 1HG ARG 30 1HG ARG 30 -0.912 -1.741 4.021 194 2HG ARG 30 2HG ARG 30 -1.007 -1.903 2.267 195 1HD ARG 30 1HD ARG 30 -3.161 -1.312 3.470 196 2HD ARG 30 2HD ARG 30 -3.229 -2.675 2.353 197 HE ARG 30 HE ARG 30 -2.691 -3.434 5.073 198 1HH1 ARG 30 1HH1 ARG 30 -5.190 -2.719 2.744 199 2HH1 ARG 30 2HH1 ARG 30 -6.399 -3.642 3.572 200 1HH2 ARG 30 1HH2 ARG 30 -4.279 -4.647 6.163 201 2HH2 ARG 30 2HH2 ARG 30 -5.883 -4.736 5.514 202 H THR 31 H THR 31 2.034 -5.794 3.970 203 HA THR 31 HA THR 31 3.122 -4.424 6.288 204 HB THR 31 HB THR 31 1.312 -6.832 6.421 205 HG1 THR 31 HG1 THR 31 1.294 -4.414 7.895 206 1HG2 THR 31 1HG2 THR 31 3.236 -7.333 7.829 207 2HG2 THR 31 2HG2 THR 31 1.798 -7.010 8.797 208 3HG2 THR 31 3HG2 THR 31 3.051 -5.780 8.642 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -18.225 -1.792 -6.884 2 2H GLY 1 2H GLY 1 -16.575 -1.424 -6.842 3 3H GLY 1 3H GLY 1 -17.497 -1.021 -8.201 4 1HA GLY 1 1HA GLY 1 -17.077 0.946 -6.889 5 2HA GLY 1 2HA GLY 1 -18.789 0.552 -6.905 6 H SER 2 H SER 2 -18.158 2.161 -4.960 7 HA SER 2 HA SER 2 -18.223 2.478 -2.709 8 1HB SER 2 1HB SER 2 -19.935 0.439 -3.169 9 2HB SER 2 2HB SER 2 -18.795 -0.363 -2.090 10 HG SER 2 HG SER 2 -20.394 1.911 -1.602 11 H THR 3 H THR 3 -16.205 2.902 -2.034 12 HA THR 3 HA THR 3 -14.389 0.642 -1.546 13 HB THR 3 HB THR 3 -13.702 3.581 -1.710 14 HG1 THR 3 HG1 THR 3 -13.092 3.188 -3.792 15 1HG2 THR 3 1HG2 THR 3 -12.093 2.096 -0.490 16 2HG2 THR 3 2HG2 THR 3 -11.440 2.936 -1.896 17 3HG2 THR 3 3HG2 THR 3 -11.864 1.228 -2.008 18 H SER 4 H SER 4 -13.735 0.153 0.466 19 HA SER 4 HA SER 4 -15.068 1.295 2.696 20 1HB SER 4 1HB SER 4 -12.766 -0.653 2.491 21 2HB SER 4 2HB SER 4 -13.491 -0.174 4.026 22 HG SER 4 HG SER 4 -14.487 -2.046 3.320 23 H ALA 5 H ALA 5 -11.544 0.931 2.477 24 HA ALA 5 HA ALA 5 -11.083 3.754 2.815 25 1HB ALA 5 1HB ALA 5 -10.440 1.879 5.087 26 2HB ALA 5 2HB ALA 5 -11.658 3.154 5.100 27 3HB ALA 5 3HB ALA 5 -9.947 3.569 4.980 28 H MET 6 H MET 6 -9.346 4.169 1.633 29 HA MET 6 HA MET 6 -7.580 2.110 0.751 30 1HB MET 6 1HB MET 6 -7.646 5.096 0.423 31 2HB MET 6 2HB MET 6 -6.306 4.144 -0.180 32 1HG MET 6 1HG MET 6 -7.471 3.361 -1.920 33 2HG MET 6 2HG MET 6 -8.939 3.147 -0.970 34 1HE MET 6 1HE MET 6 -9.645 5.893 0.204 35 2HE MET 6 2HE MET 6 -10.810 4.917 -0.688 36 3HE MET 6 3HE MET 6 -10.612 6.625 -1.076 37 H TRP 7 H TRP 7 -5.099 2.799 0.808 38 HA TRP 7 HA TRP 7 -4.377 3.681 3.496 39 1HB TRP 7 1HB TRP 7 -2.749 1.807 3.721 40 2HB TRP 7 2HB TRP 7 -4.430 1.308 3.773 41 HD1 TRP 7 HD1 TRP 7 -5.371 0.040 1.499 42 HE1 TRP 7 HE1 TRP 7 -4.110 -1.472 -0.172 43 HE3 TRP 7 HE3 TRP 7 -0.572 1.423 2.610 44 HZ2 TRP 7 HZ2 TRP 7 -1.443 -2.013 -0.895 45 HZ3 TRP 7 HZ3 TRP 7 1.276 0.362 1.376 46 HH2 TRP 7 HH2 TRP 7 0.853 -1.312 -0.349 47 H ALA 8 H ALA 8 -2.074 4.105 3.750 48 HA ALA 8 HA ALA 8 -0.913 5.103 1.230 49 1HB ALA 8 1HB ALA 8 -0.417 6.097 4.038 50 2HB ALA 8 2HB ALA 8 -1.503 6.847 2.868 51 3HB ALA 8 3HB ALA 8 0.231 6.789 2.550 52 H CYS 9 H CYS 9 0.765 3.973 0.517 53 HA CYS 9 HA CYS 9 2.039 1.967 2.028 54 1HB CYS 9 1HB CYS 9 1.785 2.087 -0.502 55 2HB CYS 9 2HB CYS 9 3.137 3.217 -0.481 56 H GLN 10 H GLN 10 4.367 1.816 2.429 57 HA GLN 10 HA GLN 10 5.497 4.421 3.189 58 1HB GLN 10 1HB GLN 10 6.172 1.859 4.610 59 2HB GLN 10 2HB GLN 10 6.381 3.513 5.169 60 1HG GLN 10 1HG GLN 10 4.525 3.176 6.344 61 2HG GLN 10 2HG GLN 10 3.671 3.346 4.812 62 1HE2 GLN 10 1HE2 GLN 10 2.910 1.513 3.762 63 2HE2 GLN 10 2HE2 GLN 10 2.769 -0.014 4.558 64 H HIS 11 H HIS 11 5.859 3.084 0.667 65 HA HIS 11 HA HIS 11 8.773 2.768 0.754 66 1HB HIS 11 1HB HIS 11 7.347 0.541 0.565 67 2HB HIS 11 2HB HIS 11 7.210 1.036 -1.118 68 HD1 HIS 11 HD1 HIS 11 9.204 -1.028 0.917 69 HD2 HIS 11 HD2 HIS 11 10.032 1.678 -2.126 70 HE1 HIS 11 HE1 HIS 11 11.490 -1.645 0.075 71 HE2 HIS 11 HE2 HIS 11 11.934 -0.049 -1.823 72 H CYS 12 H CYS 12 6.017 2.806 -1.496 73 HA CYS 12 HA CYS 12 7.509 4.396 -3.391 74 1HB CYS 12 1HB CYS 12 5.343 4.250 -4.666 75 2HB CYS 12 2HB CYS 12 6.133 2.717 -4.367 76 H THR 13 H THR 13 4.938 4.671 -1.067 77 HA THR 13 HA THR 13 4.148 6.470 0.076 78 HB THR 13 HB THR 13 6.465 7.490 -0.661 79 HG1 THR 13 HG1 THR 13 5.941 9.220 0.577 80 1HG2 THR 13 1HG2 THR 13 5.039 9.768 -1.739 81 2HG2 THR 13 2HG2 THR 13 5.011 8.381 -2.827 82 3HG2 THR 13 3HG2 THR 13 6.551 9.026 -2.260 83 H PHE 14 H PHE 14 2.771 5.225 -2.012 84 HA PHE 14 HA PHE 14 1.159 7.457 -3.037 85 1HB PHE 14 1HB PHE 14 2.306 6.222 -4.830 86 2HB PHE 14 2HB PHE 14 1.553 4.733 -4.284 87 HD1 PHE 14 HD1 PHE 14 0.522 8.193 -5.237 88 HD2 PHE 14 HD2 PHE 14 -0.265 4.017 -5.471 89 HE1 PHE 14 HE1 PHE 14 -1.403 8.641 -6.701 90 HE2 PHE 14 HE2 PHE 14 -2.192 4.457 -6.936 91 HZ PHE 14 HZ PHE 14 -2.763 6.772 -7.553 92 H MET 15 H MET 15 -1.128 6.829 -3.419 93 HA MET 15 HA MET 15 -2.145 5.472 -1.061 94 1HB MET 15 1HB MET 15 -3.139 7.622 -1.787 95 2HB MET 15 2HB MET 15 -3.635 6.872 -3.297 96 1HG MET 15 1HG MET 15 -5.304 5.652 -2.307 97 2HG MET 15 2HG MET 15 -4.525 5.668 -0.726 98 1HE MET 15 1HE MET 15 -5.111 8.820 -3.064 99 2HE MET 15 2HE MET 15 -6.737 9.278 -2.559 100 3HE MET 15 3HE MET 15 -6.470 7.742 -3.385 101 H ASN 16 H ASN 16 -3.614 3.762 -1.110 102 HA ASN 16 HA ASN 16 -3.733 2.252 -3.617 103 1HB ASN 16 1HB ASN 16 -1.856 1.701 -1.795 104 2HB ASN 16 2HB ASN 16 -3.177 0.766 -1.126 105 1HD2 ASN 16 1HD2 ASN 16 -1.304 1.325 -4.039 106 2HD2 ASN 16 2HD2 ASN 16 -1.477 -0.268 -4.683 107 H GLN 17 H GLN 17 -5.422 0.697 -3.726 108 HA GLN 17 HA GLN 17 -7.817 1.473 -2.462 109 1HB GLN 17 1HB GLN 17 -6.996 -0.689 -4.287 110 2HB GLN 17 2HB GLN 17 -8.516 -0.893 -3.439 111 1HG GLN 17 1HG GLN 17 -7.864 1.578 -5.010 112 2HG GLN 17 2HG GLN 17 -8.596 0.155 -5.748 113 1HE2 GLN 17 1HE2 GLN 17 -9.176 3.046 -4.192 114 2HE2 GLN 17 2HE2 GLN 17 -10.843 2.809 -3.801 115 HA PRO 18 HA PRO 18 -7.959 -0.944 1.221 116 1HB PRO 18 1HB PRO 18 -10.539 -1.737 1.358 117 2HB PRO 18 2HB PRO 18 -10.049 -0.055 1.588 118 1HG PRO 18 1HG PRO 18 -11.171 -1.383 -0.849 119 2HG PRO 18 2HG PRO 18 -11.577 0.195 -0.149 120 1HD PRO 18 1HD PRO 18 -9.916 -0.088 -2.275 121 2HD PRO 18 2HD PRO 18 -9.748 1.225 -1.093 122 H GLY 19 H GLY 19 -8.476 -2.456 -1.782 123 1HA GLY 19 1HA GLY 19 -8.525 -5.121 -0.512 124 2HA GLY 19 2HA GLY 19 -9.099 -4.780 -2.138 125 H THR 20 H THR 20 -6.558 -2.951 -2.208 126 HA THR 20 HA THR 20 -4.841 -5.025 -3.334 127 HB THR 20 HB THR 20 -3.530 -2.847 -3.987 128 HG1 THR 20 HG1 THR 20 -4.696 -1.370 -2.807 129 1HG2 THR 20 1HG2 THR 20 -4.403 -3.023 -6.029 130 2HG2 THR 20 2HG2 THR 20 -6.059 -2.837 -5.450 131 3HG2 THR 20 3HG2 THR 20 -5.258 -4.406 -5.348 132 H GLY 21 H GLY 21 -4.675 -5.517 -0.795 133 1HA GLY 21 1HA GLY 21 -3.189 -4.064 0.968 134 2HA GLY 21 2HA GLY 21 -3.068 -5.807 0.841 135 H HIS 22 H HIS 22 -2.021 -5.685 -1.905 136 HA HIS 22 HA HIS 22 0.738 -5.450 -1.221 137 1HB HIS 22 1HB HIS 22 -0.719 -6.050 -3.791 138 2HB HIS 22 2HB HIS 22 1.032 -5.865 -3.748 139 HD1 HIS 22 HD1 HIS 22 -1.471 -7.843 -1.653 140 HD2 HIS 22 HD2 HIS 22 2.175 -8.296 -3.595 141 HE1 HIS 22 HE1 HIS 22 -0.781 -10.226 -1.240 142 HE2 HIS 22 HE2 HIS 22 1.385 -10.502 -2.498 143 H CYS 23 H CYS 23 0.242 -4.171 -4.352 144 HA CYS 23 HA CYS 23 -0.263 -1.511 -3.915 145 1HB CYS 23 1HB CYS 23 2.172 -2.139 -2.737 146 2HB CYS 23 2HB CYS 23 2.612 -1.404 -4.259 147 H GLU 24 H GLU 24 0.102 -0.181 -5.734 148 HA GLU 24 HA GLU 24 0.702 -1.707 -8.172 149 1HB GLU 24 1HB GLU 24 -1.361 0.215 -7.468 150 2HB GLU 24 2HB GLU 24 -0.503 0.698 -8.924 151 1HG GLU 24 1HG GLU 24 -1.673 -2.042 -8.542 152 2HG GLU 24 2HG GLU 24 -2.557 -0.702 -9.269 153 H MET 25 H MET 25 2.608 -0.350 -6.317 154 HA MET 25 HA MET 25 3.918 1.329 -8.334 155 1HB MET 25 1HB MET 25 2.900 2.218 -5.837 156 2HB MET 25 2HB MET 25 4.653 2.210 -5.711 157 1HG MET 25 1HG MET 25 4.438 4.272 -6.568 158 2HG MET 25 2HG MET 25 4.393 3.393 -8.095 159 1HE MET 25 1HE MET 25 2.271 6.589 -7.871 160 2HE MET 25 2HE MET 25 2.284 5.689 -9.387 161 3HE MET 25 3HE MET 25 3.759 5.826 -8.429 162 H CYS 26 H CYS 26 4.509 -0.120 -5.106 163 HA CYS 26 HA CYS 26 7.223 -0.726 -5.877 164 1HB CYS 26 1HB CYS 26 7.226 -1.787 -3.559 165 2HB CYS 26 2HB CYS 26 7.044 -0.048 -3.639 166 H SER 27 H SER 27 4.327 -2.564 -4.926 167 HA SER 27 HA SER 27 3.576 -4.558 -5.885 168 1HB SER 27 1HB SER 27 5.409 -4.292 -7.678 169 2HB SER 27 2HB SER 27 6.396 -5.300 -6.621 170 HG SER 27 HG SER 27 4.040 -5.948 -8.012 171 H LEU 28 H LEU 28 4.372 -3.824 -3.329 172 HA LEU 28 HA LEU 28 5.378 -6.340 -2.204 173 1HB LEU 28 1HB LEU 28 5.927 -3.501 -1.689 174 2HB LEU 28 2HB LEU 28 5.730 -4.477 -0.273 175 HG LEU 28 HG LEU 28 7.703 -5.004 -2.481 176 1HD1 LEU 28 1HD1 LEU 28 8.696 -3.224 -1.494 177 2HD1 LEU 28 2HD1 LEU 28 9.245 -4.475 -0.371 178 3HD1 LEU 28 3HD1 LEU 28 7.856 -3.460 0.039 179 1HD2 LEU 28 1HD2 LEU 28 8.588 -6.747 -1.165 180 2HD2 LEU 28 2HD2 LEU 28 6.840 -6.992 -1.163 181 3HD2 LEU 28 3HD2 LEU 28 7.637 -6.279 0.242 182 HA PRO 29 HA PRO 29 1.688 -6.599 0.216 183 1HB PRO 29 1HB PRO 29 2.522 -7.334 2.671 184 2HB PRO 29 2HB PRO 29 2.666 -8.403 1.270 185 1HG PRO 29 1HG PRO 29 4.748 -6.707 2.582 186 2HG PRO 29 2HG PRO 29 4.885 -8.351 1.934 187 1HD PRO 29 1HD PRO 29 5.720 -6.095 0.606 188 2HD PRO 29 2HD PRO 29 5.253 -7.602 -0.200 189 H ARG 30 H ARG 30 0.437 -5.760 2.049 190 HA ARG 30 HA ARG 30 0.878 -2.981 2.430 191 1HB ARG 30 1HB ARG 30 -1.296 -4.665 2.541 192 2HB ARG 30 2HB ARG 30 -1.056 -4.230 4.222 193 1HG ARG 30 1HG ARG 30 -0.837 -1.820 2.890 194 2HG ARG 30 2HG ARG 30 -2.129 -2.665 2.036 195 1HD ARG 30 1HD ARG 30 -2.638 -3.125 4.736 196 2HD ARG 30 2HD ARG 30 -2.139 -1.435 4.654 197 HE ARG 30 HE ARG 30 -4.082 -2.146 2.665 198 1HH1 ARG 30 1HH1 ARG 30 -3.633 -1.123 5.971 199 2HH1 ARG 30 2HH1 ARG 30 -5.211 -0.421 6.099 200 1HH2 ARG 30 1HH2 ARG 30 -6.158 -1.224 2.832 201 2HH2 ARG 30 2HH2 ARG 30 -6.645 -0.478 4.317 202 H THR 31 H THR 31 2.149 -5.625 3.937 203 HA THR 31 HA THR 31 3.100 -3.992 6.143 204 HB THR 31 HB THR 31 1.589 -6.582 6.467 205 HG1 THR 31 HG1 THR 31 0.131 -5.346 7.326 206 1HG2 THR 31 1HG2 THR 31 2.113 -6.514 8.849 207 2HG2 THR 31 2HG2 THR 31 3.230 -5.179 8.567 208 3HG2 THR 31 3HG2 THR 31 3.560 -6.767 7.873 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -17.340 6.504 -7.644 2 2H GLY 1 2H GLY 1 -16.325 6.722 -6.308 3 3H GLY 1 3H GLY 1 -17.988 6.989 -6.158 4 1HA GLY 1 1HA GLY 1 -18.355 4.600 -6.708 5 2HA GLY 1 2HA GLY 1 -16.615 4.396 -6.583 6 H SER 2 H SER 2 -16.157 6.138 -4.404 7 HA SER 2 HA SER 2 -16.072 6.114 -2.131 8 1HB SER 2 1HB SER 2 -18.685 6.456 -2.720 9 2HB SER 2 2HB SER 2 -18.778 4.948 -1.810 10 HG SER 2 HG SER 2 -17.440 6.126 -0.202 11 H THR 3 H THR 3 -14.539 4.511 -1.882 12 HA THR 3 HA THR 3 -15.413 1.736 -1.714 13 HB THR 3 HB THR 3 -13.330 2.310 -2.930 14 HG1 THR 3 HG1 THR 3 -13.521 0.251 -1.995 15 1HG2 THR 3 1HG2 THR 3 -12.372 3.175 -0.221 16 2HG2 THR 3 2HG2 THR 3 -12.401 4.111 -1.716 17 3HG2 THR 3 3HG2 THR 3 -11.291 2.751 -1.547 18 H SER 4 H SER 4 -13.693 0.696 0.149 19 HA SER 4 HA SER 4 -15.034 1.367 2.586 20 1HB SER 4 1HB SER 4 -13.090 -0.690 1.698 21 2HB SER 4 2HB SER 4 -13.080 -0.296 3.417 22 HG SER 4 HG SER 4 -15.290 -1.174 1.868 23 H ALA 5 H ALA 5 -11.526 0.961 2.265 24 HA ALA 5 HA ALA 5 -10.979 3.664 3.092 25 1HB ALA 5 1HB ALA 5 -11.297 3.135 5.280 26 2HB ALA 5 2HB ALA 5 -9.620 2.613 5.116 27 3HB ALA 5 3HB ALA 5 -10.924 1.428 5.038 28 H MET 6 H MET 6 -9.373 4.116 1.728 29 HA MET 6 HA MET 6 -7.570 2.151 0.729 30 1HB MET 6 1HB MET 6 -7.580 5.161 0.564 31 2HB MET 6 2HB MET 6 -6.431 4.147 -0.277 32 1HG MET 6 1HG MET 6 -7.890 4.285 -1.963 33 2HG MET 6 2HG MET 6 -8.748 3.024 -1.079 34 1HE MET 6 1HE MET 6 -9.736 7.501 -0.691 35 2HE MET 6 2HE MET 6 -8.849 6.924 -2.102 36 3HE MET 6 3HE MET 6 -8.148 6.761 -0.492 37 H TRP 7 H TRP 7 -5.120 2.749 0.785 38 HA TRP 7 HA TRP 7 -4.349 3.648 3.458 39 1HB TRP 7 1HB TRP 7 -2.738 1.772 3.673 40 2HB TRP 7 2HB TRP 7 -4.417 1.270 3.717 41 HD1 TRP 7 HD1 TRP 7 -5.344 0.031 1.400 42 HE1 TRP 7 HE1 TRP 7 -4.063 -1.498 -0.245 43 HE3 TRP 7 HE3 TRP 7 -0.554 1.356 2.616 44 HZ2 TRP 7 HZ2 TRP 7 -1.391 -2.069 -0.908 45 HZ3 TRP 7 HZ3 TRP 7 1.307 0.275 1.422 46 HH2 TRP 7 HH2 TRP 7 0.902 -1.396 -0.313 47 H ALA 8 H ALA 8 -2.072 4.089 3.696 48 HA ALA 8 HA ALA 8 -0.906 5.070 1.172 49 1HB ALA 8 1HB ALA 8 -1.539 6.818 2.808 50 2HB ALA 8 2HB ALA 8 0.188 6.800 2.452 51 3HB ALA 8 3HB ALA 8 -0.408 6.109 3.961 52 H CYS 9 H CYS 9 0.776 3.937 0.486 53 HA CYS 9 HA CYS 9 2.069 1.971 2.036 54 1HB CYS 9 1HB CYS 9 1.821 2.056 -0.496 55 2HB CYS 9 2HB CYS 9 3.165 3.195 -0.486 56 H GLN 10 H GLN 10 4.421 1.857 2.411 57 HA GLN 10 HA GLN 10 5.502 4.487 3.154 58 1HB GLN 10 1HB GLN 10 6.225 1.942 4.585 59 2HB GLN 10 2HB GLN 10 6.420 3.601 5.133 60 1HG GLN 10 1HG GLN 10 4.576 3.257 6.323 61 2HG GLN 10 2HG GLN 10 3.709 3.402 4.795 62 1HE2 GLN 10 1HE2 GLN 10 2.968 1.546 3.765 63 2HE2 GLN 10 2HE2 GLN 10 2.849 0.027 4.578 64 H HIS 11 H HIS 11 5.878 3.126 0.637 65 HA HIS 11 HA HIS 11 8.800 2.891 0.709 66 1HB HIS 11 1HB HIS 11 7.659 0.598 0.639 67 2HB HIS 11 2HB HIS 11 7.105 1.041 -0.972 68 HD1 HIS 11 HD1 HIS 11 8.918 1.227 -2.836 69 HD2 HIS 11 HD2 HIS 11 10.332 -0.115 0.829 70 HE1 HIS 11 HE1 HIS 11 11.194 0.289 -3.306 71 HE2 HIS 11 HE2 HIS 11 12.070 -0.440 -1.058 72 H CYS 12 H CYS 12 6.039 2.788 -1.530 73 HA CYS 12 HA CYS 12 7.452 4.404 -3.460 74 1HB CYS 12 1HB CYS 12 5.308 4.147 -4.725 75 2HB CYS 12 2HB CYS 12 6.116 2.637 -4.364 76 H THR 13 H THR 13 5.058 4.675 -0.991 77 HA THR 13 HA THR 13 4.151 6.439 0.067 78 HB THR 13 HB THR 13 5.169 8.480 0.009 79 HG1 THR 13 HG1 THR 13 5.514 9.574 -1.756 80 1HG2 THR 13 1HG2 THR 13 6.903 6.517 0.041 81 2HG2 THR 13 2HG2 THR 13 7.421 8.202 0.003 82 3HG2 THR 13 3HG2 THR 13 7.411 7.249 -1.481 83 H PHE 14 H PHE 14 2.736 5.187 -1.924 84 HA PHE 14 HA PHE 14 1.194 7.411 -3.070 85 1HB PHE 14 1HB PHE 14 2.335 6.056 -4.793 86 2HB PHE 14 2HB PHE 14 1.500 4.629 -4.205 87 HD1 PHE 14 HD1 PHE 14 -0.333 3.960 -5.400 88 HD2 PHE 14 HD2 PHE 14 0.658 8.097 -5.298 89 HE1 PHE 14 HE1 PHE 14 -2.213 4.443 -6.912 90 HE2 PHE 14 HE2 PHE 14 -1.222 8.588 -6.809 91 HZ PHE 14 HZ PHE 14 -2.660 6.760 -7.618 92 H MET 15 H MET 15 -1.100 6.822 -3.454 93 HA MET 15 HA MET 15 -2.181 5.582 -1.060 94 1HB MET 15 1HB MET 15 -3.065 7.756 -1.979 95 2HB MET 15 2HB MET 15 -3.683 6.857 -3.358 96 1HG MET 15 1HG MET 15 -4.808 5.420 -1.439 97 2HG MET 15 2HG MET 15 -4.638 6.936 -0.556 98 1HE MET 15 1HE MET 15 -6.297 4.851 -3.031 99 2HE MET 15 2HE MET 15 -5.970 5.922 -4.393 100 3HE MET 15 3HE MET 15 -7.603 5.806 -3.735 101 H ASN 16 H ASN 16 -3.617 3.861 -1.048 102 HA ASN 16 HA ASN 16 -3.808 2.312 -3.528 103 1HB ASN 16 1HB ASN 16 -1.871 1.760 -1.797 104 2HB ASN 16 2HB ASN 16 -3.169 0.882 -1.013 105 1HD2 ASN 16 1HD2 ASN 16 -1.281 1.205 -3.925 106 2HD2 ASN 16 2HD2 ASN 16 -1.595 -0.378 -4.541 107 H GLN 17 H GLN 17 -5.568 0.927 -3.674 108 HA GLN 17 HA GLN 17 -7.880 1.653 -2.242 109 1HB GLN 17 1HB GLN 17 -7.192 -0.358 -4.276 110 2HB GLN 17 2HB GLN 17 -8.672 -0.621 -3.376 111 1HG GLN 17 1HG GLN 17 -8.134 2.029 -4.639 112 2HG GLN 17 2HG GLN 17 -8.716 0.685 -5.619 113 1HE2 GLN 17 1HE2 GLN 17 -9.661 3.312 -3.931 114 2HE2 GLN 17 2HE2 GLN 17 -11.288 2.863 -3.563 115 HA PRO 18 HA PRO 18 -7.925 -1.077 1.219 116 1HB PRO 18 1HB PRO 18 -10.506 -1.837 1.419 117 2HB PRO 18 2HB PRO 18 -9.979 -0.182 1.741 118 1HG PRO 18 1HG PRO 18 -11.242 -1.322 -0.719 119 2HG PRO 18 2HG PRO 18 -11.578 0.213 0.102 120 1HD PRO 18 1HD PRO 18 -10.022 0.021 -2.123 121 2HD PRO 18 2HD PRO 18 -9.796 1.273 -0.888 122 H GLY 19 H GLY 19 -8.453 -2.345 -1.858 123 1HA GLY 19 1HA GLY 19 -8.674 -5.094 -0.813 124 2HA GLY 19 2HA GLY 19 -9.110 -4.600 -2.441 125 H THR 20 H THR 20 -6.534 -2.905 -2.338 126 HA THR 20 HA THR 20 -4.814 -5.033 -3.361 127 HB THR 20 HB THR 20 -3.449 -2.775 -3.893 128 HG1 THR 20 HG1 THR 20 -6.164 -1.984 -4.032 129 1HG2 THR 20 1HG2 THR 20 -4.433 -4.519 -5.473 130 2HG2 THR 20 2HG2 THR 20 -4.190 -2.879 -6.074 131 3HG2 THR 20 3HG2 THR 20 -5.803 -3.417 -5.604 132 H GLY 21 H GLY 21 -4.573 -5.660 -0.961 133 1HA GLY 21 1HA GLY 21 -3.196 -4.142 0.897 134 2HA GLY 21 2HA GLY 21 -3.066 -5.886 0.769 135 H HIS 22 H HIS 22 -1.994 -5.739 -1.967 136 HA HIS 22 HA HIS 22 0.759 -5.516 -1.259 137 1HB HIS 22 1HB HIS 22 -0.678 -6.082 -3.847 138 2HB HIS 22 2HB HIS 22 1.072 -5.903 -3.787 139 HD1 HIS 22 HD1 HIS 22 -1.528 -7.946 -1.885 140 HD2 HIS 22 HD2 HIS 22 2.283 -8.291 -3.505 141 HE1 HIS 22 HE1 HIS 22 -0.829 -10.324 -1.458 142 HE2 HIS 22 HE2 HIS 22 1.444 -10.533 -2.524 143 H CYS 23 H CYS 23 0.272 -4.199 -4.377 144 HA CYS 23 HA CYS 23 -0.231 -1.546 -3.921 145 1HB CYS 23 1HB CYS 23 2.203 -2.197 -2.729 146 2HB CYS 23 2HB CYS 23 2.638 -1.411 -4.226 147 H GLU 24 H GLU 24 -0.032 -0.276 -5.742 148 HA GLU 24 HA GLU 24 0.683 -1.747 -8.175 149 1HB GLU 24 1HB GLU 24 -1.403 0.153 -7.479 150 2HB GLU 24 2HB GLU 24 -0.531 0.655 -8.920 151 1HG GLU 24 1HG GLU 24 -1.270 -2.175 -8.884 152 2HG GLU 24 2HG GLU 24 -2.636 -1.060 -8.877 153 H MET 25 H MET 25 2.593 -0.436 -6.317 154 HA MET 25 HA MET 25 3.893 1.285 -8.305 155 1HB MET 25 1HB MET 25 3.135 1.959 -5.527 156 2HB MET 25 2HB MET 25 4.770 2.404 -5.996 157 1HG MET 25 1HG MET 25 3.367 4.272 -6.395 158 2HG MET 25 2HG MET 25 3.809 3.592 -7.960 159 1HE MET 25 1HE MET 25 0.308 4.932 -8.724 160 2HE MET 25 2HE MET 25 1.629 4.236 -9.663 161 3HE MET 25 3HE MET 25 1.971 5.426 -8.407 162 H CYS 26 H CYS 26 4.522 -0.101 -5.052 163 HA CYS 26 HA CYS 26 7.226 -0.709 -5.830 164 1HB CYS 26 1HB CYS 26 7.247 -1.764 -3.522 165 2HB CYS 26 2HB CYS 26 7.015 -0.031 -3.587 166 H SER 27 H SER 27 4.354 -2.582 -4.875 167 HA SER 27 HA SER 27 3.622 -4.575 -5.865 168 1HB SER 27 1HB SER 27 5.480 -4.309 -7.625 169 2HB SER 27 2HB SER 27 6.462 -5.300 -6.546 170 HG SER 27 HG SER 27 4.624 -6.825 -6.654 171 H LEU 28 H LEU 28 4.384 -3.832 -3.287 172 HA LEU 28 HA LEU 28 5.344 -6.359 -2.151 173 1HB LEU 28 1HB LEU 28 5.949 -3.531 -1.632 174 2HB LEU 28 2HB LEU 28 5.733 -4.511 -0.222 175 HG LEU 28 HG LEU 28 7.693 -5.082 -2.433 176 1HD1 LEU 28 1HD1 LEU 28 8.714 -3.302 -1.475 177 2HD1 LEU 28 2HD1 LEU 28 9.248 -4.549 -0.347 178 3HD1 LEU 28 3HD1 LEU 28 7.888 -3.511 0.067 179 1HD2 LEU 28 1HD2 LEU 28 7.579 -6.320 0.304 180 2HD2 LEU 28 2HD2 LEU 28 8.562 -6.808 -1.076 181 3HD2 LEU 28 3HD2 LEU 28 6.818 -7.045 -1.110 182 HA PRO 29 HA PRO 29 1.624 -6.501 0.238 183 1HB PRO 29 1HB PRO 29 2.415 -7.429 2.630 184 2HB PRO 29 2HB PRO 29 2.526 -8.414 1.166 185 1HG PRO 29 1HG PRO 29 4.667 -6.891 2.593 186 2HG PRO 29 2HG PRO 29 4.741 -8.497 1.847 187 1HD PRO 29 1HD PRO 29 5.666 -6.182 0.665 188 2HD PRO 29 2HD PRO 29 5.178 -7.633 -0.227 189 H ARG 30 H ARG 30 0.393 -5.634 2.027 190 HA ARG 30 HA ARG 30 1.065 -2.938 2.627 191 1HB ARG 30 1HB ARG 30 -1.261 -4.371 2.522 192 2HB ARG 30 2HB ARG 30 -1.045 -4.168 4.247 193 1HG ARG 30 1HG ARG 30 -1.000 -1.784 4.032 194 2HG ARG 30 2HG ARG 30 -1.006 -1.903 2.272 195 1HD ARG 30 1HD ARG 30 -3.220 -1.360 3.413 196 2HD ARG 30 2HD ARG 30 -3.225 -2.655 2.217 197 HE ARG 30 HE ARG 30 -2.822 -3.564 4.917 198 1HH1 ARG 30 1HH1 ARG 30 -5.198 -2.741 2.496 199 2HH1 ARG 30 2HH1 ARG 30 -6.440 -3.718 3.204 200 1HH2 ARG 30 1HH2 ARG 30 -4.456 -4.849 5.849 201 2HH2 ARG 30 2HH2 ARG 30 -6.020 -4.914 5.108 202 H THR 31 H THR 31 1.989 -5.803 3.990 203 HA THR 31 HA THR 31 3.036 -4.426 6.324 204 HB THR 31 HB THR 31 1.230 -6.837 6.430 205 HG1 THR 31 HG1 THR 31 -0.111 -5.452 7.218 206 1HG2 THR 31 1HG2 THR 31 2.948 -5.784 8.667 207 2HG2 THR 31 2HG2 THR 31 3.116 -7.349 7.871 208 3HG2 THR 31 3HG2 THR 31 1.675 -6.993 8.824 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -19.136 5.714 -2.103 2 2H GLY 1 2H GLY 1 -19.083 5.442 -0.434 3 3H GLY 1 3H GLY 1 -20.314 6.393 -1.096 4 1HA GLY 1 1HA GLY 1 -21.261 4.291 -0.604 5 2HA GLY 1 2HA GLY 1 -21.110 4.431 -2.349 6 H SER 2 H SER 2 -18.603 3.792 -2.929 7 HA SER 2 HA SER 2 -18.369 1.035 -1.940 8 1HB SER 2 1HB SER 2 -17.723 2.351 -4.550 9 2HB SER 2 2HB SER 2 -16.834 0.903 -4.077 10 HG SER 2 HG SER 2 -19.650 1.161 -4.325 11 H THR 3 H THR 3 -15.987 0.212 -2.193 12 HA THR 3 HA THR 3 -13.871 0.227 -1.359 13 HB THR 3 HB THR 3 -14.008 3.187 -1.968 14 HG1 THR 3 HG1 THR 3 -13.578 2.675 -3.968 15 1HG2 THR 3 1HG2 THR 3 -12.058 2.091 -0.532 16 2HG2 THR 3 2HG2 THR 3 -11.775 3.369 -1.713 17 3HG2 THR 3 3HG2 THR 3 -11.473 1.686 -2.145 18 H SER 4 H SER 4 -13.730 -0.214 0.738 19 HA SER 4 HA SER 4 -15.033 1.186 2.789 20 1HB SER 4 1HB SER 4 -13.490 -0.109 4.313 21 2HB SER 4 2HB SER 4 -14.390 -1.096 3.161 22 HG SER 4 HG SER 4 -12.346 -1.809 2.978 23 H ALA 5 H ALA 5 -11.496 0.883 2.598 24 HA ALA 5 HA ALA 5 -11.112 3.735 2.721 25 1HB ALA 5 1HB ALA 5 -9.944 3.740 4.877 26 2HB ALA 5 2HB ALA 5 -10.384 2.048 5.114 27 3HB ALA 5 3HB ALA 5 -11.640 3.285 5.052 28 H MET 6 H MET 6 -9.334 4.180 1.601 29 HA MET 6 HA MET 6 -7.574 2.116 0.722 30 1HB MET 6 1HB MET 6 -7.636 5.101 0.396 31 2HB MET 6 2HB MET 6 -6.289 4.154 -0.197 32 1HG MET 6 1HG MET 6 -7.435 3.379 -1.951 33 2HG MET 6 2HG MET 6 -8.906 3.140 -1.009 34 1HE MET 6 1HE MET 6 -8.578 5.091 -4.339 35 2HE MET 6 2HE MET 6 -7.083 4.706 -3.488 36 3HE MET 6 3HE MET 6 -7.572 6.387 -3.695 37 H TRP 7 H TRP 7 -5.086 2.808 0.777 38 HA TRP 7 HA TRP 7 -4.367 3.675 3.470 39 1HB TRP 7 1HB TRP 7 -2.741 1.800 3.692 40 2HB TRP 7 2HB TRP 7 -4.422 1.303 3.742 41 HD1 TRP 7 HD1 TRP 7 -5.361 0.035 1.466 42 HE1 TRP 7 HE1 TRP 7 -4.099 -1.484 -0.199 43 HE3 TRP 7 HE3 TRP 7 -0.562 1.414 2.582 44 HZ2 TRP 7 HZ2 TRP 7 -1.433 -2.028 -0.917 45 HZ3 TRP 7 HZ3 TRP 7 1.286 0.348 1.352 46 HH2 TRP 7 HH2 TRP 7 0.864 -1.331 -0.369 47 H ALA 8 H ALA 8 -2.077 4.112 3.735 48 HA ALA 8 HA ALA 8 -0.902 5.116 1.224 49 1HB ALA 8 1HB ALA 8 0.167 6.839 2.490 50 2HB ALA 8 2HB ALA 8 -0.310 6.092 4.015 51 3HB ALA 8 3HB ALA 8 -1.533 6.806 2.963 52 H CYS 9 H CYS 9 0.759 3.965 0.510 53 HA CYS 9 HA CYS 9 2.036 1.962 2.023 54 1HB CYS 9 1HB CYS 9 1.780 2.049 -0.496 55 2HB CYS 9 2HB CYS 9 3.103 3.213 -0.500 56 H GLN 10 H GLN 10 4.347 1.804 2.450 57 HA GLN 10 HA GLN 10 5.491 4.409 3.188 58 1HB GLN 10 1HB GLN 10 6.565 3.322 5.089 59 2HB GLN 10 2HB GLN 10 4.824 3.095 5.157 60 1HG GLN 10 1HG GLN 10 6.258 0.957 3.772 61 2HG GLN 10 2HG GLN 10 6.678 1.134 5.475 62 1HE2 GLN 10 1HE2 GLN 10 4.418 -0.034 3.246 63 2HE2 GLN 10 2HE2 GLN 10 3.204 -0.538 4.368 64 H HIS 11 H HIS 11 5.849 3.094 0.665 65 HA HIS 11 HA HIS 11 8.760 2.757 0.746 66 1HB HIS 11 1HB HIS 11 7.519 0.510 0.614 67 2HB HIS 11 2HB HIS 11 7.025 1.011 -1.001 68 HD1 HIS 11 HD1 HIS 11 8.775 0.910 -2.855 69 HD2 HIS 11 HD2 HIS 11 10.274 -0.062 0.894 70 HE1 HIS 11 HE1 HIS 11 11.061 -0.051 -3.276 71 HE2 HIS 11 HE2 HIS 11 11.986 -0.552 -0.988 72 H CYS 12 H CYS 12 6.005 2.817 -1.506 73 HA CYS 12 HA CYS 12 7.503 4.417 -3.387 74 1HB CYS 12 1HB CYS 12 5.337 4.280 -4.666 75 2HB CYS 12 2HB CYS 12 6.132 2.748 -4.383 76 H THR 13 H THR 13 4.926 4.679 -1.070 77 HA THR 13 HA THR 13 4.135 6.472 0.081 78 HB THR 13 HB THR 13 6.450 7.500 -0.652 79 HG1 THR 13 HG1 THR 13 4.249 9.001 0.302 80 1HG2 THR 13 1HG2 THR 13 4.994 8.395 -2.816 81 2HG2 THR 13 2HG2 THR 13 6.530 9.045 -2.245 82 3HG2 THR 13 3HG2 THR 13 5.014 9.778 -1.723 83 H PHE 14 H PHE 14 2.761 5.230 -2.011 84 HA PHE 14 HA PHE 14 1.147 7.462 -3.034 85 1HB PHE 14 1HB PHE 14 2.291 6.226 -4.828 86 2HB PHE 14 2HB PHE 14 1.542 4.737 -4.278 87 HD1 PHE 14 HD1 PHE 14 -0.277 4.016 -5.462 88 HD2 PHE 14 HD2 PHE 14 0.504 8.193 -5.234 89 HE1 PHE 14 HE1 PHE 14 -2.206 4.452 -6.927 90 HE2 PHE 14 HE2 PHE 14 -1.425 8.638 -6.697 91 HZ PHE 14 HZ PHE 14 -2.782 6.766 -7.544 92 H MET 15 H MET 15 -1.141 6.838 -3.413 93 HA MET 15 HA MET 15 -2.155 5.479 -1.054 94 1HB MET 15 1HB MET 15 -3.026 7.693 -2.327 95 2HB MET 15 2HB MET 15 -4.027 6.490 -3.130 96 1HG MET 15 1HG MET 15 -5.251 6.069 -1.280 97 2HG MET 15 2HG MET 15 -3.899 6.349 -0.185 98 1HE MET 15 1HE MET 15 -6.912 7.330 -1.762 99 2HE MET 15 2HE MET 15 -6.427 8.810 -2.587 100 3HE MET 15 3HE MET 15 -7.343 8.899 -1.083 101 H ASN 16 H ASN 16 -3.614 3.764 -1.099 102 HA ASN 16 HA ASN 16 -3.753 2.266 -3.612 103 1HB ASN 16 1HB ASN 16 -1.858 1.707 -1.815 104 2HB ASN 16 2HB ASN 16 -3.171 0.771 -1.130 105 1HD2 ASN 16 1HD2 ASN 16 -1.296 1.317 -4.040 106 2HD2 ASN 16 2HD2 ASN 16 -1.494 -0.269 -4.693 107 H GLN 17 H GLN 17 -5.450 0.734 -3.728 108 HA GLN 17 HA GLN 17 -7.831 1.486 -2.434 109 1HB GLN 17 1HB GLN 17 -7.017 -0.652 -4.287 110 2HB GLN 17 2HB GLN 17 -8.528 -0.878 -3.426 111 1HG GLN 17 1HG GLN 17 -7.909 1.614 -4.979 112 2HG GLN 17 2HG GLN 17 -8.644 0.195 -5.720 113 1HE2 GLN 17 1HE2 GLN 17 -9.207 3.061 -4.098 114 2HE2 GLN 17 2HE2 GLN 17 -10.870 2.818 -3.699 115 HA PRO 18 HA PRO 18 -7.941 -0.977 1.221 116 1HB PRO 18 1HB PRO 18 -10.517 -1.771 1.378 117 2HB PRO 18 2HB PRO 18 -10.028 -0.089 1.609 118 1HG PRO 18 1HG PRO 18 -11.173 -1.411 -0.820 119 2HG PRO 18 2HG PRO 18 -11.573 0.165 -0.111 120 1HD PRO 18 1HD PRO 18 -9.930 -0.119 -2.256 121 2HD PRO 18 2HD PRO 18 -9.762 1.200 -1.082 122 H GLY 19 H GLY 19 -8.482 -2.465 -1.790 123 1HA GLY 19 1HA GLY 19 -8.533 -5.140 -0.544 124 2HA GLY 19 2HA GLY 19 -9.099 -4.784 -2.169 125 H THR 20 H THR 20 -6.559 -2.962 -2.228 126 HA THR 20 HA THR 20 -4.839 -5.035 -3.349 127 HB THR 20 HB THR 20 -3.533 -2.837 -3.991 128 HG1 THR 20 HG1 THR 20 -5.034 -1.114 -4.260 129 1HG2 THR 20 1HG2 THR 20 -4.879 -2.563 -5.996 130 2HG2 THR 20 2HG2 THR 20 -6.149 -3.555 -5.276 131 3HG2 THR 20 3HG2 THR 20 -4.574 -4.263 -5.640 132 H GLY 21 H GLY 21 -4.641 -5.560 -0.841 133 1HA GLY 21 1HA GLY 21 -3.166 -4.092 0.934 134 2HA GLY 21 2HA GLY 21 -3.043 -5.835 0.804 135 H HIS 22 H HIS 22 -2.015 -5.687 -1.953 136 HA HIS 22 HA HIS 22 0.748 -5.465 -1.285 137 1HB HIS 22 1HB HIS 22 -0.718 -6.017 -3.862 138 2HB HIS 22 2HB HIS 22 1.034 -5.863 -3.809 139 HD1 HIS 22 HD1 HIS 22 -1.608 -7.884 -1.943 140 HD2 HIS 22 HD2 HIS 22 2.230 -8.258 -3.491 141 HE1 HIS 22 HE1 HIS 22 -0.938 -10.269 -1.512 142 HE2 HIS 22 HE2 HIS 22 1.352 -10.495 -2.535 143 H CYS 23 H CYS 23 0.237 -4.148 -4.396 144 HA CYS 23 HA CYS 23 -0.259 -1.491 -3.921 145 1HB CYS 23 1HB CYS 23 2.184 -2.143 -2.767 146 2HB CYS 23 2HB CYS 23 2.614 -1.386 -4.280 147 H GLU 24 H GLU 24 0.116 -0.132 -5.722 148 HA GLU 24 HA GLU 24 0.675 -1.629 -8.185 149 1HB GLU 24 1HB GLU 24 -1.342 0.324 -7.439 150 2HB GLU 24 2HB GLU 24 -0.483 0.811 -8.893 151 1HG GLU 24 1HG GLU 24 -1.336 -1.998 -8.826 152 2HG GLU 24 2HG GLU 24 -2.638 -0.810 -8.859 153 H MET 25 H MET 25 2.620 -0.337 -6.321 154 HA MET 25 HA MET 25 3.956 1.338 -8.326 155 1HB MET 25 1HB MET 25 2.962 2.225 -5.819 156 2HB MET 25 2HB MET 25 4.715 2.179 -5.697 157 1HG MET 25 1HG MET 25 3.880 4.363 -6.417 158 2HG MET 25 2HG MET 25 4.931 3.614 -7.620 159 1HE MET 25 1HE MET 25 4.444 5.066 -9.237 160 2HE MET 25 2HE MET 25 2.929 5.966 -9.153 161 3HE MET 25 3HE MET 25 3.184 4.787 -10.445 162 H CYS 26 H CYS 26 4.547 -0.122 -5.103 163 HA CYS 26 HA CYS 26 7.240 -0.785 -5.895 164 1HB CYS 26 1HB CYS 26 7.209 -1.886 -3.580 165 2HB CYS 26 2HB CYS 26 7.126 -0.138 -3.655 166 H SER 27 H SER 27 4.343 -2.588 -4.884 167 HA SER 27 HA SER 27 3.534 -4.550 -5.883 168 1HB SER 27 1HB SER 27 5.368 -4.330 -7.672 169 2HB SER 27 2HB SER 27 6.342 -5.349 -6.611 170 HG SER 27 HG SER 27 3.743 -6.081 -7.452 171 H LEU 28 H LEU 28 4.358 -3.844 -3.313 172 HA LEU 28 HA LEU 28 5.252 -6.410 -2.209 173 1HB LEU 28 1HB LEU 28 5.962 -3.607 -1.677 174 2HB LEU 28 2HB LEU 28 5.739 -4.596 -0.273 175 HG LEU 28 HG LEU 28 7.630 -5.210 -2.526 176 1HD1 LEU 28 1HD1 LEU 28 7.934 -3.667 -0.018 177 2HD1 LEU 28 2HD1 LEU 28 8.735 -3.473 -1.576 178 3HD1 LEU 28 3HD1 LEU 28 9.258 -4.748 -0.470 179 1HD2 LEU 28 1HD2 LEU 28 7.530 -6.466 0.207 180 2HD2 LEU 28 2HD2 LEU 28 8.479 -6.975 -1.190 181 3HD2 LEU 28 3HD2 LEU 28 6.724 -7.155 -1.202 182 HA PRO 29 HA PRO 29 1.566 -6.438 0.235 183 1HB PRO 29 1HB PRO 29 2.361 -7.446 2.594 184 2HB PRO 29 2HB PRO 29 2.407 -8.404 1.109 185 1HG PRO 29 1HG PRO 29 4.631 -7.001 2.529 186 2HG PRO 29 2HG PRO 29 4.628 -8.590 1.745 187 1HD PRO 29 1HD PRO 29 5.624 -6.284 0.600 188 2HD PRO 29 2HD PRO 29 5.072 -7.698 -0.314 189 H ARG 30 H ARG 30 0.394 -5.529 2.026 190 HA ARG 30 HA ARG 30 1.213 -2.890 2.687 191 1HB ARG 30 1HB ARG 30 -1.188 -4.192 2.546 192 2HB ARG 30 2HB ARG 30 -0.966 -4.035 4.277 193 1HG ARG 30 1HG ARG 30 -0.657 -1.614 4.008 194 2HG ARG 30 2HG ARG 30 -0.944 -1.790 2.276 195 1HD ARG 30 1HD ARG 30 -2.918 -1.064 3.714 196 2HD ARG 30 2HD ARG 30 -3.186 -2.402 2.598 197 HE ARG 30 HE ARG 30 -3.525 -3.788 4.391 198 1HH1 ARG 30 1HH1 ARG 30 -2.072 -0.820 5.509 199 2HH1 ARG 30 2HH1 ARG 30 -2.287 -1.199 7.184 200 1HH2 ARG 30 1HH2 ARG 30 -3.809 -4.289 6.594 201 2HH2 ARG 30 2HH2 ARG 30 -3.273 -3.168 7.801 202 H THR 31 H THR 31 1.977 -5.831 3.984 203 HA THR 31 HA THR 31 3.090 -4.566 6.350 204 HB THR 31 HB THR 31 1.157 -6.880 6.400 205 HG1 THR 31 HG1 THR 31 1.245 -4.467 7.883 206 1HG2 THR 31 1HG2 THR 31 3.026 -7.510 7.830 207 2HG2 THR 31 2HG2 THR 31 1.589 -7.128 8.780 208 3HG2 THR 31 3HG2 THR 31 2.908 -5.964 8.671 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -16.233 0.835 -7.575 2 2H GLY 1 2H GLY 1 -16.508 0.195 -6.034 3 3H GLY 1 3H GLY 1 -15.636 1.633 -6.208 4 1HA GLY 1 1HA GLY 1 -17.747 2.539 -7.319 5 2HA GLY 1 2HA GLY 1 -18.530 1.172 -6.542 6 H SER 2 H SER 2 -17.892 0.954 -4.129 7 HA SER 2 HA SER 2 -18.320 3.589 -2.924 8 1HB SER 2 1HB SER 2 -19.698 1.300 -2.529 9 2HB SER 2 2HB SER 2 -18.498 1.154 -1.246 10 HG SER 2 HG SER 2 -19.152 3.402 -0.719 11 H THR 3 H THR 3 -16.369 0.654 -2.446 12 HA THR 3 HA THR 3 -14.312 0.326 -1.534 13 HB THR 3 HB THR 3 -13.961 3.316 -1.811 14 HG1 THR 3 HG1 THR 3 -13.502 3.001 -3.868 15 1HG2 THR 3 1HG2 THR 3 -11.828 1.225 -2.032 16 2HG2 THR 3 2HG2 THR 3 -12.240 1.985 -0.495 17 3HG2 THR 3 3HG2 THR 3 -11.655 2.969 -1.837 18 H SER 4 H SER 4 -13.480 0.140 0.496 19 HA SER 4 HA SER 4 -15.041 1.283 2.640 20 1HB SER 4 1HB SER 4 -13.501 -1.064 2.284 21 2HB SER 4 2HB SER 4 -12.738 -0.157 3.589 22 HG SER 4 HG SER 4 -14.679 -0.155 4.692 23 H ALA 5 H ALA 5 -11.508 0.934 2.461 24 HA ALA 5 HA ALA 5 -11.078 3.770 2.732 25 1HB ALA 5 1HB ALA 5 -11.646 3.200 5.032 26 2HB ALA 5 2HB ALA 5 -9.947 3.658 4.898 27 3HB ALA 5 3HB ALA 5 -10.394 1.958 5.045 28 H MET 6 H MET 6 -9.324 4.201 1.579 29 HA MET 6 HA MET 6 -7.555 2.148 0.692 30 1HB MET 6 1HB MET 6 -7.584 5.141 0.399 31 2HB MET 6 2HB MET 6 -6.286 4.161 -0.248 32 1HG MET 6 1HG MET 6 -7.506 4.023 -2.096 33 2HG MET 6 2HG MET 6 -8.524 2.898 -1.201 34 1HE MET 6 1HE MET 6 -7.949 5.826 -2.986 35 2HE MET 6 2HE MET 6 -8.875 7.150 -2.280 36 3HE MET 6 3HE MET 6 -9.602 6.127 -3.519 37 H TRP 7 H TRP 7 -5.073 2.805 0.767 38 HA TRP 7 HA TRP 7 -4.361 3.684 3.460 39 1HB TRP 7 1HB TRP 7 -2.740 1.805 3.690 40 2HB TRP 7 2HB TRP 7 -4.423 1.314 3.738 41 HD1 TRP 7 HD1 TRP 7 -5.361 0.034 1.470 42 HE1 TRP 7 HE1 TRP 7 -4.098 -1.490 -0.190 43 HE3 TRP 7 HE3 TRP 7 -0.559 1.421 2.576 44 HZ2 TRP 7 HZ2 TRP 7 -1.433 -2.036 -0.908 45 HZ3 TRP 7 HZ3 TRP 7 1.287 0.351 1.349 46 HH2 TRP 7 HH2 TRP 7 0.864 -1.336 -0.365 47 H ALA 8 H ALA 8 -2.079 4.126 3.735 48 HA ALA 8 HA ALA 8 -0.892 5.125 1.228 49 1HB ALA 8 1HB ALA 8 0.318 6.743 2.655 50 2HB ALA 8 2HB ALA 8 -0.529 6.102 4.062 51 3HB ALA 8 3HB ALA 8 -1.434 6.904 2.779 52 H CYS 9 H CYS 9 0.761 3.963 0.515 53 HA CYS 9 HA CYS 9 2.034 1.960 2.029 54 1HB CYS 9 1HB CYS 9 1.778 2.036 -0.489 55 2HB CYS 9 2HB CYS 9 3.094 3.207 -0.502 56 H GLN 10 H GLN 10 4.345 1.796 2.456 57 HA GLN 10 HA GLN 10 5.493 4.402 3.190 58 1HB GLN 10 1HB GLN 10 6.624 3.241 5.059 59 2HB GLN 10 2HB GLN 10 4.872 3.165 5.184 60 1HG GLN 10 1HG GLN 10 6.073 0.905 3.770 61 2HG GLN 10 2HG GLN 10 6.561 1.053 5.458 62 1HE2 GLN 10 1HE2 GLN 10 4.192 -0.022 3.335 63 2HE2 GLN 10 2HE2 GLN 10 2.956 -0.378 4.489 64 H HIS 11 H HIS 11 5.846 3.093 0.666 65 HA HIS 11 HA HIS 11 8.757 2.753 0.741 66 1HB HIS 11 1HB HIS 11 7.426 0.519 0.582 67 2HB HIS 11 2HB HIS 11 7.085 1.027 -1.069 68 HD1 HIS 11 HD1 HIS 11 8.984 0.876 -2.766 69 HD2 HIS 11 HD2 HIS 11 10.133 -0.132 1.097 70 HE1 HIS 11 HE1 HIS 11 11.268 -0.146 -2.990 71 HE2 HIS 11 HE2 HIS 11 11.979 -0.669 -0.631 72 H CYS 12 H CYS 12 5.997 2.821 -1.506 73 HA CYS 12 HA CYS 12 7.496 4.422 -3.387 74 1HB CYS 12 1HB CYS 12 5.326 4.289 -4.662 75 2HB CYS 12 2HB CYS 12 6.124 2.756 -4.386 76 H THR 13 H THR 13 4.919 4.682 -1.067 77 HA THR 13 HA THR 13 4.130 6.476 0.086 78 HB THR 13 HB THR 13 6.444 7.505 -0.653 79 HG1 THR 13 HG1 THR 13 4.241 8.992 0.313 80 1HG2 THR 13 1HG2 THR 13 5.003 9.781 -1.719 81 2HG2 THR 13 2HG2 THR 13 4.985 8.398 -2.813 82 3HG2 THR 13 3HG2 THR 13 6.520 9.051 -2.243 83 H PHE 14 H PHE 14 2.754 5.233 -2.004 84 HA PHE 14 HA PHE 14 1.136 7.463 -3.024 85 1HB PHE 14 1HB PHE 14 2.280 6.229 -4.820 86 2HB PHE 14 2HB PHE 14 1.532 4.739 -4.270 87 HD1 PHE 14 HD1 PHE 14 0.490 8.195 -5.224 88 HD2 PHE 14 HD2 PHE 14 -0.288 4.018 -5.453 89 HE1 PHE 14 HE1 PHE 14 -1.440 8.639 -6.684 90 HE2 PHE 14 HE2 PHE 14 -2.219 4.453 -6.913 91 HZ PHE 14 HZ PHE 14 -2.797 6.766 -7.530 92 H MET 15 H MET 15 -1.151 6.837 -3.401 93 HA MET 15 HA MET 15 -2.162 5.478 -1.041 94 1HB MET 15 1HB MET 15 -3.036 7.692 -2.304 95 2HB MET 15 2HB MET 15 -4.031 6.493 -3.119 96 1HG MET 15 1HG MET 15 -5.277 6.079 -1.288 97 2HG MET 15 2HG MET 15 -3.925 6.306 -0.181 98 1HE MET 15 1HE MET 15 -7.384 8.741 -0.767 99 2HE MET 15 2HE MET 15 -6.909 7.310 -1.680 100 3HE MET 15 3HE MET 15 -6.611 8.917 -2.343 101 H ASN 16 H ASN 16 -3.619 3.760 -1.085 102 HA ASN 16 HA ASN 16 -3.760 2.263 -3.599 103 1HB ASN 16 1HB ASN 16 -1.861 1.704 -1.807 104 2HB ASN 16 2HB ASN 16 -3.171 0.768 -1.118 105 1HD2 ASN 16 1HD2 ASN 16 -1.304 1.316 -4.033 106 2HD2 ASN 16 2HD2 ASN 16 -1.501 -0.271 -4.686 107 H GLN 17 H GLN 17 -5.454 0.731 -3.717 108 HA GLN 17 HA GLN 17 -7.835 1.477 -2.415 109 1HB GLN 17 1HB GLN 17 -7.022 -0.655 -4.276 110 2HB GLN 17 2HB GLN 17 -8.530 -0.884 -3.413 111 1HG GLN 17 1HG GLN 17 -7.917 1.612 -4.959 112 2HG GLN 17 2HG GLN 17 -8.652 0.194 -5.704 113 1HE2 GLN 17 1HE2 GLN 17 -9.218 3.055 -4.074 114 2HE2 GLN 17 2HE2 GLN 17 -10.879 2.806 -3.673 115 HA PRO 18 HA PRO 18 -7.934 -0.996 1.233 116 1HB PRO 18 1HB PRO 18 -10.509 -1.793 1.393 117 2HB PRO 18 2HB PRO 18 -10.022 -0.110 1.628 118 1HG PRO 18 1HG PRO 18 -11.171 -1.427 -0.802 119 2HG PRO 18 2HG PRO 18 -11.570 0.147 -0.088 120 1HD PRO 18 1HD PRO 18 -9.932 -0.131 -2.237 121 2HD PRO 18 2HD PRO 18 -9.763 1.185 -1.060 122 H GLY 19 H GLY 19 -8.485 -2.476 -1.781 123 1HA GLY 19 1HA GLY 19 -8.530 -5.154 -0.541 124 2HA GLY 19 2HA GLY 19 -9.099 -4.795 -2.165 125 H THR 20 H THR 20 -6.559 -2.969 -2.220 126 HA THR 20 HA THR 20 -4.838 -5.039 -3.349 127 HB THR 20 HB THR 20 -3.535 -2.837 -3.984 128 HG1 THR 20 HG1 THR 20 -5.039 -1.116 -4.248 129 1HG2 THR 20 1HG2 THR 20 -4.859 -2.570 -5.993 130 2HG2 THR 20 2HG2 THR 20 -6.154 -3.529 -5.277 131 3HG2 THR 20 3HG2 THR 20 -4.594 -4.274 -5.626 132 H GLY 21 H GLY 21 -4.638 -5.571 -0.843 133 1HA GLY 21 1HA GLY 21 -3.164 -4.106 0.937 134 2HA GLY 21 2HA GLY 21 -3.039 -5.850 0.801 135 H HIS 22 H HIS 22 -2.013 -5.691 -1.956 136 HA HIS 22 HA HIS 22 0.750 -5.469 -1.289 137 1HB HIS 22 1HB HIS 22 -0.716 -6.016 -3.867 138 2HB HIS 22 2HB HIS 22 1.037 -5.862 -3.812 139 HD1 HIS 22 HD1 HIS 22 -1.609 -7.890 -1.960 140 HD2 HIS 22 HD2 HIS 22 2.237 -8.253 -3.490 141 HE1 HIS 22 HE1 HIS 22 -0.937 -10.275 -1.531 142 HE2 HIS 22 HE2 HIS 22 1.359 -10.495 -2.543 143 H CYS 23 H CYS 23 0.235 -4.146 -4.396 144 HA CYS 23 HA CYS 23 -0.262 -1.489 -3.914 145 1HB CYS 23 1HB CYS 23 2.184 -2.145 -2.767 146 2HB CYS 23 2HB CYS 23 2.610 -1.382 -4.280 147 H GLU 24 H GLU 24 0.110 -0.126 -5.712 148 HA GLU 24 HA GLU 24 0.663 -1.619 -8.181 149 1HB GLU 24 1HB GLU 24 -1.350 0.335 -7.427 150 2HB GLU 24 2HB GLU 24 -0.494 0.824 -8.882 151 1HG GLU 24 1HG GLU 24 -1.318 -1.984 -8.851 152 2HG GLU 24 2HG GLU 24 -2.647 -0.826 -8.813 153 H MET 25 H MET 25 2.613 -0.332 -6.318 154 HA MET 25 HA MET 25 3.947 1.345 -8.323 155 1HB MET 25 1HB MET 25 2.961 2.225 -5.807 156 2HB MET 25 2HB MET 25 4.714 2.184 -5.696 157 1HG MET 25 1HG MET 25 4.250 4.334 -6.427 158 2HG MET 25 2HG MET 25 4.701 3.477 -7.899 159 1HE MET 25 1HE MET 25 1.828 3.775 -10.167 160 2HE MET 25 2HE MET 25 3.242 2.818 -9.734 161 3HE MET 25 3HE MET 25 3.395 4.559 -9.957 162 H CYS 26 H CYS 26 4.543 -0.118 -5.101 163 HA CYS 26 HA CYS 26 7.235 -0.782 -5.899 164 1HB CYS 26 1HB CYS 26 7.205 -1.889 -3.586 165 2HB CYS 26 2HB CYS 26 7.127 -0.141 -3.657 166 H SER 27 H SER 27 4.340 -2.587 -4.882 167 HA SER 27 HA SER 27 3.527 -4.546 -5.887 168 1HB SER 27 1HB SER 27 5.358 -4.325 -7.678 169 2HB SER 27 2HB SER 27 6.333 -5.345 -6.619 170 HG SER 27 HG SER 27 5.154 -6.547 -8.194 171 H LEU 28 H LEU 28 4.357 -3.845 -3.315 172 HA LEU 28 HA LEU 28 5.245 -6.414 -2.219 173 1HB LEU 28 1HB LEU 28 5.965 -3.616 -1.682 174 2HB LEU 28 2HB LEU 28 5.745 -4.608 -0.280 175 HG LEU 28 HG LEU 28 7.628 -5.226 -2.540 176 1HD1 LEU 28 1HD1 LEU 28 8.740 -3.493 -1.595 177 2HD1 LEU 28 2HD1 LEU 28 9.259 -4.769 -0.488 178 3HD1 LEU 28 3HD1 LEU 28 7.948 -3.685 -0.033 179 1HD2 LEU 28 1HD2 LEU 28 8.479 -6.993 -1.207 180 2HD2 LEU 28 2HD2 LEU 28 6.723 -7.170 -1.217 181 3HD2 LEU 28 3HD2 LEU 28 7.526 -6.481 0.191 182 HA PRO 29 HA PRO 29 1.565 -6.432 0.235 183 1HB PRO 29 1HB PRO 29 2.361 -7.462 2.583 184 2HB PRO 29 2HB PRO 29 2.397 -8.411 1.092 185 1HG PRO 29 1HG PRO 29 4.632 -7.029 2.516 186 2HG PRO 29 2HG PRO 29 4.619 -8.614 1.721 187 1HD PRO 29 1HD PRO 29 5.624 -6.303 0.590 188 2HD PRO 29 2HD PRO 29 5.065 -7.708 -0.333 189 H ARG 30 H ARG 30 0.401 -5.519 2.024 190 HA ARG 30 HA ARG 30 1.248 -2.895 2.707 191 1HB ARG 30 1HB ARG 30 -1.168 -4.166 2.549 192 2HB ARG 30 2HB ARG 30 -0.949 -4.028 4.283 193 1HG ARG 30 1HG ARG 30 -0.572 -1.598 4.000 194 2HG ARG 30 2HG ARG 30 -0.940 -1.781 2.285 195 1HD ARG 30 1HD ARG 30 -2.849 -1.010 3.745 196 2HD ARG 30 2HD ARG 30 -3.173 -2.418 2.733 197 HE ARG 30 HE ARG 30 -2.278 -3.062 5.392 198 1HH1 ARG 30 1HH1 ARG 30 -5.045 -2.348 3.388 199 2HH1 ARG 30 2HH1 ARG 30 -6.165 -3.157 4.431 200 1HH2 ARG 30 1HH2 ARG 30 -3.751 -4.127 6.765 201 2HH2 ARG 30 2HH2 ARG 30 -5.431 -4.166 6.347 202 H THR 31 H THR 31 1.974 -5.854 3.982 203 HA THR 31 HA THR 31 3.097 -4.621 6.362 204 HB THR 31 HB THR 31 1.135 -6.912 6.389 205 HG1 THR 31 HG1 THR 31 -0.115 -5.439 7.158 206 1HG2 THR 31 1HG2 THR 31 2.829 -6.020 8.711 207 2HG2 THR 31 2HG2 THR 31 3.048 -7.524 7.817 208 3HG2 THR 31 3HG2 THR 31 1.565 -7.249 8.731 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -18.825 -3.442 -7.310 2 2H GLY 1 2H GLY 1 -19.249 -3.591 -5.679 3 3H GLY 1 3H GLY 1 -17.640 -3.806 -6.158 4 1HA GLY 1 1HA GLY 1 -17.351 -1.540 -6.655 5 2HA GLY 1 2HA GLY 1 -19.081 -1.252 -6.556 6 H SER 2 H SER 2 -17.450 -3.277 -4.239 7 HA SER 2 HA SER 2 -18.184 -1.406 -2.131 8 1HB SER 2 1HB SER 2 -17.787 -3.226 -0.596 9 2HB SER 2 2HB SER 2 -18.725 -3.849 -1.953 10 HG SER 2 HG SER 2 -15.924 -4.109 -1.567 11 H THR 3 H THR 3 -16.749 -0.505 -0.671 12 HA THR 3 HA THR 3 -13.945 -1.070 -0.732 13 HB THR 3 HB THR 3 -14.847 1.610 -1.804 14 HG1 THR 3 HG1 THR 3 -14.582 0.813 -3.723 15 1HG2 THR 3 1HG2 THR 3 -12.612 2.185 -2.114 16 2HG2 THR 3 2HG2 THR 3 -12.054 0.537 -1.829 17 3HG2 THR 3 3HG2 THR 3 -12.670 1.504 -0.489 18 H SER 4 H SER 4 -13.135 -0.651 1.221 19 HA SER 4 HA SER 4 -14.771 0.788 3.135 20 1HB SER 4 1HB SER 4 -13.117 -0.020 4.796 21 2HB SER 4 2HB SER 4 -13.780 -1.334 3.824 22 HG SER 4 HG SER 4 -11.383 -1.195 4.166 23 H ALA 5 H ALA 5 -11.236 0.827 2.799 24 HA ALA 5 HA ALA 5 -11.178 3.656 2.256 25 1HB ALA 5 1HB ALA 5 -10.206 2.651 4.929 26 2HB ALA 5 2HB ALA 5 -11.593 3.706 4.650 27 3HB ALA 5 3HB ALA 5 -9.963 4.279 4.295 28 H MET 6 H MET 6 -9.261 4.295 1.371 29 HA MET 6 HA MET 6 -7.459 2.266 0.508 30 1HB MET 6 1HB MET 6 -7.353 5.273 0.301 31 2HB MET 6 2HB MET 6 -6.223 4.197 -0.486 32 1HG MET 6 1HG MET 6 -7.589 4.210 -2.228 33 2HG MET 6 2HG MET 6 -8.684 3.225 -1.261 34 1HE MET 6 1HE MET 6 -9.089 7.114 -3.084 35 2HE MET 6 2HE MET 6 -10.128 5.794 -3.619 36 3HE MET 6 3HE MET 6 -8.384 5.559 -3.521 37 H TRP 7 H TRP 7 -4.998 2.789 0.684 38 HA TRP 7 HA TRP 7 -4.345 3.705 3.384 39 1HB TRP 7 1HB TRP 7 -2.745 1.810 3.653 40 2HB TRP 7 2HB TRP 7 -4.434 1.344 3.676 41 HD1 TRP 7 HD1 TRP 7 -5.348 0.040 1.409 42 HE1 TRP 7 HE1 TRP 7 -4.071 -1.518 -0.213 43 HE3 TRP 7 HE3 TRP 7 -0.553 1.403 2.573 44 HZ2 TRP 7 HZ2 TRP 7 -1.401 -2.096 -0.878 45 HZ3 TRP 7 HZ3 TRP 7 1.303 0.302 1.390 46 HH2 TRP 7 HH2 TRP 7 0.894 -1.403 -0.308 47 H ALA 8 H ALA 8 -2.103 4.181 3.723 48 HA ALA 8 HA ALA 8 -0.842 5.171 1.253 49 1HB ALA 8 1HB ALA 8 0.296 6.807 2.647 50 2HB ALA 8 2HB ALA 8 -0.413 6.093 4.096 51 3HB ALA 8 3HB ALA 8 -1.447 6.886 2.907 52 H CYS 9 H CYS 9 0.772 3.959 0.542 53 HA CYS 9 HA CYS 9 2.038 1.959 2.070 54 1HB CYS 9 1HB CYS 9 1.769 2.009 -0.443 55 2HB CYS 9 2HB CYS 9 3.084 3.180 -0.480 56 H GLN 10 H GLN 10 4.361 1.789 2.475 57 HA GLN 10 HA GLN 10 5.517 4.396 3.190 58 1HB GLN 10 1HB GLN 10 6.703 3.182 5.026 59 2HB GLN 10 2HB GLN 10 4.954 3.217 5.208 60 1HG GLN 10 1HG GLN 10 6.096 0.879 3.811 61 2HG GLN 10 2HG GLN 10 6.420 1.013 5.538 62 1HE2 GLN 10 1HE2 GLN 10 4.274 -0.063 3.235 63 2HE2 GLN 10 2HE2 GLN 10 2.892 -0.303 4.243 64 H HIS 11 H HIS 11 5.849 3.094 0.661 65 HA HIS 11 HA HIS 11 8.761 2.760 0.708 66 1HB HIS 11 1HB HIS 11 7.232 0.553 0.488 67 2HB HIS 11 2HB HIS 11 7.263 1.043 -1.203 68 HD1 HIS 11 HD1 HIS 11 9.542 -0.068 1.578 69 HD2 HIS 11 HD2 HIS 11 9.644 0.583 -2.524 70 HE1 HIS 11 HE1 HIS 11 11.736 -1.016 0.803 71 HE2 HIS 11 HE2 HIS 11 11.808 -0.532 -1.670 72 H CYS 12 H CYS 12 5.973 2.807 -1.505 73 HA CYS 12 HA CYS 12 7.445 4.392 -3.422 74 1HB CYS 12 1HB CYS 12 5.259 4.245 -4.666 75 2HB CYS 12 2HB CYS 12 6.057 2.714 -4.381 76 H THR 13 H THR 13 4.903 4.677 -1.068 77 HA THR 13 HA THR 13 4.124 6.483 0.073 78 HB THR 13 HB THR 13 6.432 7.501 -0.696 79 HG1 THR 13 HG1 THR 13 4.269 9.074 0.229 80 1HG2 THR 13 1HG2 THR 13 4.991 9.770 -1.772 81 2HG2 THR 13 2HG2 THR 13 4.952 8.376 -2.852 82 3HG2 THR 13 3HG2 THR 13 6.498 9.027 -2.306 83 H PHE 14 H PHE 14 2.720 5.219 -1.980 84 HA PHE 14 HA PHE 14 1.106 7.440 -3.027 85 1HB PHE 14 1HB PHE 14 2.221 6.157 -4.807 86 2HB PHE 14 2HB PHE 14 1.464 4.687 -4.219 87 HD1 PHE 14 HD1 PHE 14 0.443 8.132 -5.229 88 HD2 PHE 14 HD2 PHE 14 -0.371 3.959 -5.371 89 HE1 PHE 14 HE1 PHE 14 -1.499 8.564 -6.679 90 HE2 PHE 14 HE2 PHE 14 -2.313 4.381 -6.821 91 HZ PHE 14 HZ PHE 14 -2.879 6.688 -7.477 92 H MET 15 H MET 15 -1.186 6.833 -3.362 93 HA MET 15 HA MET 15 -2.187 5.522 -0.972 94 1HB MET 15 1HB MET 15 -3.048 7.727 -2.275 95 2HB MET 15 2HB MET 15 -4.079 6.522 -3.032 96 1HG MET 15 1HG MET 15 -5.078 5.936 -0.991 97 2HG MET 15 2HG MET 15 -3.836 6.766 -0.054 98 1HE MET 15 1HE MET 15 -7.113 6.823 -1.787 99 2HE MET 15 2HE MET 15 -6.404 7.823 -3.056 100 3HE MET 15 3HE MET 15 -7.585 8.516 -1.943 101 H ASN 16 H ASN 16 -3.611 3.791 -0.961 102 HA ASN 16 HA ASN 16 -3.846 2.286 -3.464 103 1HB ASN 16 1HB ASN 16 -1.868 1.731 -1.774 104 2HB ASN 16 2HB ASN 16 -3.141 0.816 -0.996 105 1HD2 ASN 16 1HD2 ASN 16 -1.308 1.238 -3.931 106 2HD2 ASN 16 2HD2 ASN 16 -1.599 -0.338 -4.573 107 H GLN 17 H GLN 17 -5.620 0.918 -3.604 108 HA GLN 17 HA GLN 17 -7.888 1.592 -2.083 109 1HB GLN 17 1HB GLN 17 -7.252 -0.363 -4.186 110 2HB GLN 17 2HB GLN 17 -8.699 -0.664 -3.243 111 1HG GLN 17 1HG GLN 17 -8.158 1.969 -4.576 112 2HG GLN 17 2HG GLN 17 -8.960 0.638 -5.405 113 1HE2 GLN 17 1HE2 GLN 17 -9.334 3.280 -3.345 114 2HE2 GLN 17 2HE2 GLN 17 -10.984 3.023 -2.904 115 HA PRO 18 HA PRO 18 -7.828 -1.213 1.318 116 1HB PRO 18 1HB PRO 18 -10.401 -1.984 1.572 117 2HB PRO 18 2HB PRO 18 -9.869 -0.337 1.919 118 1HG PRO 18 1HG PRO 18 -11.204 -1.419 -0.528 119 2HG PRO 18 2HG PRO 18 -11.510 0.099 0.335 120 1HD PRO 18 1HD PRO 18 -10.022 -0.056 -1.941 121 2HD PRO 18 2HD PRO 18 -9.763 1.177 -0.692 122 H GLY 19 H GLY 19 -8.447 -2.415 -1.770 123 1HA GLY 19 1HA GLY 19 -8.644 -5.187 -0.784 124 2HA GLY 19 2HA GLY 19 -9.100 -4.655 -2.395 125 H THR 20 H THR 20 -6.535 -2.958 -2.288 126 HA THR 20 HA THR 20 -4.812 -5.052 -3.374 127 HB THR 20 HB THR 20 -3.470 -2.793 -3.901 128 HG1 THR 20 HG1 THR 20 -6.177 -1.965 -3.940 129 1HG2 THR 20 1HG2 THR 20 -4.482 -4.471 -5.505 130 2HG2 THR 20 2HG2 THR 20 -4.324 -2.803 -6.059 131 3HG2 THR 20 3HG2 THR 20 -5.892 -3.413 -5.531 132 H GLY 21 H GLY 21 -4.590 -5.674 -0.942 133 1HA GLY 21 1HA GLY 21 -3.188 -4.189 0.908 134 2HA GLY 21 2HA GLY 21 -3.054 -5.931 0.759 135 H HIS 22 H HIS 22 -1.992 -5.745 -1.980 136 HA HIS 22 HA HIS 22 0.763 -5.518 -1.275 137 1HB HIS 22 1HB HIS 22 -0.676 -6.072 -3.867 138 2HB HIS 22 2HB HIS 22 1.075 -5.895 -3.802 139 HD1 HIS 22 HD1 HIS 22 -1.544 -7.953 -1.942 140 HD2 HIS 22 HD2 HIS 22 2.291 -8.281 -3.507 141 HE1 HIS 22 HE1 HIS 22 -0.848 -10.332 -1.522 142 HE2 HIS 22 HE2 HIS 22 1.509 -10.484 -2.400 143 H CYS 23 H CYS 23 0.265 -4.185 -4.386 144 HA CYS 23 HA CYS 23 -0.247 -1.535 -3.910 145 1HB CYS 23 1HB CYS 23 2.187 -2.184 -2.727 146 2HB CYS 23 2HB CYS 23 2.626 -1.404 -4.226 147 H GLU 24 H GLU 24 -0.021 -0.235 -5.721 148 HA GLU 24 HA GLU 24 0.666 -1.697 -8.169 149 1HB GLU 24 1HB GLU 24 -1.419 0.194 -7.450 150 2HB GLU 24 2HB GLU 24 -0.558 0.704 -8.896 151 1HG GLU 24 1HG GLU 24 -1.339 -2.130 -8.817 152 2HG GLU 24 2HG GLU 24 -2.664 -0.969 -8.897 153 H MET 25 H MET 25 2.576 -0.382 -6.312 154 HA MET 25 HA MET 25 3.860 1.356 -8.295 155 1HB MET 25 1HB MET 25 3.129 1.993 -5.502 156 2HB MET 25 2HB MET 25 4.758 2.449 -5.981 157 1HG MET 25 1HG MET 25 3.326 4.314 -6.335 158 2HG MET 25 2HG MET 25 3.787 3.669 -7.910 159 1HE MET 25 1HE MET 25 0.840 5.013 -9.009 160 2HE MET 25 2HE MET 25 1.064 3.450 -9.796 161 3HE MET 25 3HE MET 25 2.468 4.410 -9.327 162 H CYS 26 H CYS 26 4.490 -0.127 -5.088 163 HA CYS 26 HA CYS 26 7.200 -0.709 -5.897 164 1HB CYS 26 1HB CYS 26 7.225 -1.798 -3.586 165 2HB CYS 26 2HB CYS 26 7.070 -0.057 -3.654 166 H SER 27 H SER 27 4.348 -2.578 -4.880 167 HA SER 27 HA SER 27 3.585 -4.559 -5.881 168 1HB SER 27 1HB SER 27 5.424 -4.310 -7.659 169 2HB SER 27 2HB SER 27 6.415 -5.298 -6.587 170 HG SER 27 HG SER 27 4.731 -6.889 -6.699 171 H LEU 28 H LEU 28 4.381 -3.825 -3.306 172 HA LEU 28 HA LEU 28 5.321 -6.366 -2.187 173 1HB LEU 28 1HB LEU 28 5.959 -3.546 -1.658 174 2HB LEU 28 2HB LEU 28 5.747 -4.534 -0.251 175 HG LEU 28 HG LEU 28 7.681 -5.114 -2.483 176 1HD1 LEU 28 1HD1 LEU 28 7.917 -3.555 0.022 177 2HD1 LEU 28 2HD1 LEU 28 8.729 -3.347 -1.528 178 3HD1 LEU 28 3HD1 LEU 28 9.261 -4.604 -0.411 179 1HD2 LEU 28 1HD2 LEU 28 7.586 -6.362 0.252 180 2HD2 LEU 28 2HD2 LEU 28 8.545 -6.853 -1.139 181 3HD2 LEU 28 3HD2 LEU 28 6.804 -7.073 -1.158 182 HA PRO 29 HA PRO 29 1.619 -6.482 0.228 183 1HB PRO 29 1HB PRO 29 2.419 -7.428 2.612 184 2HB PRO 29 2HB PRO 29 2.507 -8.408 1.143 185 1HG PRO 29 1HG PRO 29 4.675 -6.917 2.559 186 2HG PRO 29 2HG PRO 29 4.726 -8.519 1.803 187 1HD PRO 29 1HD PRO 29 5.667 -6.209 0.627 188 2HD PRO 29 2HD PRO 29 5.157 -7.648 -0.270 189 H ARG 30 H ARG 30 0.411 -5.611 2.031 190 HA ARG 30 HA ARG 30 1.113 -2.925 2.636 191 1HB ARG 30 1HB ARG 30 -1.227 -4.339 2.543 192 2HB ARG 30 2HB ARG 30 -0.998 -4.136 4.268 193 1HG ARG 30 1HG ARG 30 -0.923 -1.749 4.039 194 2HG ARG 30 2HG ARG 30 -0.966 -1.880 2.280 195 1HD ARG 30 1HD ARG 30 -3.153 -1.306 3.438 196 2HD ARG 30 2HD ARG 30 -3.192 -2.640 2.286 197 HE ARG 30 HE ARG 30 -3.780 -4.024 3.998 198 1HH1 ARG 30 1HH1 ARG 30 -2.309 -1.168 5.358 199 2HH1 ARG 30 2HH1 ARG 30 -2.639 -1.624 6.995 200 1HH2 ARG 30 1HH2 ARG 30 -4.216 -4.627 6.151 201 2HH2 ARG 30 2HH2 ARG 30 -3.722 -3.588 7.446 202 H THR 31 H THR 31 2.023 -5.801 3.980 203 HA THR 31 HA THR 31 3.096 -4.441 6.312 204 HB THR 31 HB THR 31 1.269 -6.837 6.423 205 HG1 THR 31 HG1 THR 31 -0.051 -5.462 7.271 206 1HG2 THR 31 1HG2 THR 31 1.738 -7.059 8.784 207 2HG2 THR 31 2HG2 THR 31 2.965 -5.797 8.683 208 3HG2 THR 31 3HG2 THR 31 3.205 -7.330 7.844 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -18.602 4.344 -5.220 2 2H GLY 1 2H GLY 1 -17.797 2.864 -5.368 3 3H GLY 1 3H GLY 1 -17.433 3.899 -4.081 4 1HA GLY 1 1HA GLY 1 -19.753 3.645 -3.282 5 2HA GLY 1 2HA GLY 1 -19.966 2.422 -4.525 6 H SER 2 H SER 2 -19.552 0.381 -3.985 7 HA SER 2 HA SER 2 -18.862 -0.364 -1.376 8 1HB SER 2 1HB SER 2 -18.775 -1.980 -3.934 9 2HB SER 2 2HB SER 2 -18.643 -2.663 -2.313 10 HG SER 2 HG SER 2 -20.731 -2.626 -2.236 11 H THR 3 H THR 3 -16.939 0.660 -0.784 12 HA THR 3 HA THR 3 -14.561 -0.808 -1.389 13 HB THR 3 HB THR 3 -14.718 2.073 -2.299 14 HG1 THR 3 HG1 THR 3 -14.643 1.281 -4.319 15 1HG2 THR 3 1HG2 THR 3 -12.508 1.420 -1.355 16 2HG2 THR 3 2HG2 THR 3 -12.477 1.876 -3.059 17 3HG2 THR 3 3HG2 THR 3 -12.409 0.174 -2.600 18 H SER 4 H SER 4 -13.681 -1.005 0.552 19 HA SER 4 HA SER 4 -14.290 0.598 2.767 20 1HB SER 4 1HB SER 4 -11.674 -0.777 2.828 21 2HB SER 4 2HB SER 4 -13.033 -0.885 3.946 22 HG SER 4 HG SER 4 -14.061 -2.271 2.488 23 H ALA 5 H ALA 5 -11.905 1.204 4.019 24 HA ALA 5 HA ALA 5 -11.231 3.680 2.702 25 1HB ALA 5 1HB ALA 5 -10.264 2.505 5.307 26 2HB ALA 5 2HB ALA 5 -11.573 3.669 5.101 27 3HB ALA 5 3HB ALA 5 -9.912 4.134 4.730 28 H MET 6 H MET 6 -9.357 4.209 1.703 29 HA MET 6 HA MET 6 -7.660 2.105 0.791 30 1HB MET 6 1HB MET 6 -7.690 5.087 0.455 31 2HB MET 6 2HB MET 6 -6.337 4.139 -0.126 32 1HG MET 6 1HG MET 6 -7.444 3.519 -1.940 33 2HG MET 6 2HG MET 6 -8.830 2.991 -0.989 34 1HE MET 6 1HE MET 6 -11.410 5.181 -1.215 35 2HE MET 6 2HE MET 6 -10.465 6.086 -0.034 36 3HE MET 6 3HE MET 6 -10.432 4.322 -0.025 37 H TRP 7 H TRP 7 -5.152 2.774 0.796 38 HA TRP 7 HA TRP 7 -4.381 3.597 3.489 39 1HB TRP 7 1HB TRP 7 -2.784 1.712 3.688 40 2HB TRP 7 2HB TRP 7 -4.464 1.212 3.705 41 HD1 TRP 7 HD1 TRP 7 -5.366 -0.013 1.379 42 HE1 TRP 7 HE1 TRP 7 -4.067 -1.505 -0.287 43 HE3 TRP 7 HE3 TRP 7 -0.594 1.347 2.623 44 HZ2 TRP 7 HZ2 TRP 7 -1.385 -2.035 -0.953 45 HZ3 TRP 7 HZ3 TRP 7 1.281 0.304 1.418 46 HH2 TRP 7 HH2 TRP 7 0.898 -1.344 -0.340 47 H ALA 8 H ALA 8 -2.087 4.011 3.725 48 HA ALA 8 HA ALA 8 -0.934 5.029 1.207 49 1HB ALA 8 1HB ALA 8 -1.527 6.792 2.796 50 2HB ALA 8 2HB ALA 8 0.219 6.708 2.561 51 3HB ALA 8 3HB ALA 8 -0.507 6.037 4.022 52 H CYS 9 H CYS 9 0.774 3.944 0.503 53 HA CYS 9 HA CYS 9 2.063 1.946 2.021 54 1HB CYS 9 1HB CYS 9 1.818 2.070 -0.512 55 2HB CYS 9 2HB CYS 9 3.165 3.204 -0.481 56 H GLN 10 H GLN 10 4.405 1.826 2.405 57 HA GLN 10 HA GLN 10 5.499 4.445 3.171 58 1HB GLN 10 1HB GLN 10 6.195 1.894 4.603 59 2HB GLN 10 2HB GLN 10 6.388 3.551 5.157 60 1HG GLN 10 1HG GLN 10 4.533 3.209 6.328 61 2HG GLN 10 2HG GLN 10 3.680 3.358 4.793 62 1HE2 GLN 10 1HE2 GLN 10 2.949 1.504 3.750 63 2HE2 GLN 10 2HE2 GLN 10 2.819 -0.016 4.560 64 H HIS 11 H HIS 11 5.877 3.095 0.654 65 HA HIS 11 HA HIS 11 8.794 2.816 0.746 66 1HB HIS 11 1HB HIS 11 7.315 0.582 0.535 67 2HB HIS 11 2HB HIS 11 7.338 1.057 -1.160 68 HD1 HIS 11 HD1 HIS 11 9.097 -1.020 1.050 69 HD2 HIS 11 HD2 HIS 11 10.260 1.671 -1.894 70 HE1 HIS 11 HE1 HIS 11 11.448 -1.671 0.431 71 HE2 HIS 11 HE2 HIS 11 12.099 -0.083 -1.414 72 H CYS 12 H CYS 12 6.047 2.784 -1.516 73 HA CYS 12 HA CYS 12 7.516 4.375 -3.424 74 1HB CYS 12 1HB CYS 12 5.356 4.194 -4.696 75 2HB CYS 12 2HB CYS 12 6.145 2.667 -4.370 76 H THR 13 H THR 13 4.965 4.652 -1.083 77 HA THR 13 HA THR 13 4.152 6.448 0.039 78 HB THR 13 HB THR 13 6.468 7.474 -0.684 79 HG1 THR 13 HG1 THR 13 5.913 8.690 0.900 80 1HG2 THR 13 1HG2 THR 13 5.056 9.746 -1.783 81 2HG2 THR 13 2HG2 THR 13 5.015 8.354 -2.865 82 3HG2 THR 13 3HG2 THR 13 6.561 8.989 -2.301 83 H PHE 14 H PHE 14 2.772 5.189 -2.025 84 HA PHE 14 HA PHE 14 1.177 7.414 -3.093 85 1HB PHE 14 1HB PHE 14 2.304 6.110 -4.858 86 2HB PHE 14 2HB PHE 14 1.517 4.653 -4.275 87 HD1 PHE 14 HD1 PHE 14 0.549 8.116 -5.281 88 HD2 PHE 14 HD2 PHE 14 -0.301 3.951 -5.470 89 HE1 PHE 14 HE1 PHE 14 -1.368 8.579 -6.752 90 HE2 PHE 14 HE2 PHE 14 -2.220 4.405 -6.941 91 HZ PHE 14 HZ PHE 14 -2.755 6.721 -7.585 92 H MET 15 H MET 15 -1.109 6.829 -3.440 93 HA MET 15 HA MET 15 -2.144 5.521 -1.064 94 1HB MET 15 1HB MET 15 -3.112 7.672 -1.765 95 2HB MET 15 2HB MET 15 -3.582 6.966 -3.305 96 1HG MET 15 1HG MET 15 -4.560 5.692 -0.806 97 2HG MET 15 2HG MET 15 -5.287 7.212 -1.322 98 1HE MET 15 1HE MET 15 -7.088 7.425 -3.002 99 2HE MET 15 2HE MET 15 -7.257 6.405 -4.431 100 3HE MET 15 3HE MET 15 -5.801 7.374 -4.207 101 H ASN 16 H ASN 16 -3.612 3.813 -1.085 102 HA ASN 16 HA ASN 16 -3.803 2.316 -3.595 103 1HB ASN 16 1HB ASN 16 -1.874 1.726 -1.865 104 2HB ASN 16 2HB ASN 16 -3.177 0.831 -1.107 105 1HD2 ASN 16 1HD2 ASN 16 -1.217 1.186 -3.955 106 2HD2 ASN 16 2HD2 ASN 16 -1.548 -0.372 -4.625 107 H GLN 17 H GLN 17 -5.547 0.882 -3.742 108 HA GLN 17 HA GLN 17 -7.881 1.623 -2.358 109 1HB GLN 17 1HB GLN 17 -7.146 -0.432 -4.331 110 2HB GLN 17 2HB GLN 17 -8.637 -0.686 -3.446 111 1HG GLN 17 1HG GLN 17 -8.014 1.867 -4.897 112 2HG GLN 17 2HG GLN 17 -8.811 0.499 -5.671 113 1HE2 GLN 17 1HE2 GLN 17 -9.112 3.087 -3.403 114 2HE2 GLN 17 2HE2 GLN 17 -10.816 2.953 -3.151 115 HA PRO 18 HA PRO 18 -7.958 -1.032 1.161 116 1HB PRO 18 1HB PRO 18 -10.540 -1.774 1.361 117 2HB PRO 18 2HB PRO 18 -10.014 -0.109 1.634 118 1HG PRO 18 1HG PRO 18 -11.255 -1.329 -0.802 119 2HG PRO 18 2HG PRO 18 -11.601 0.232 -0.032 120 1HD PRO 18 1HD PRO 18 -10.019 -0.033 -2.234 121 2HD PRO 18 2HD PRO 18 -9.815 1.263 -1.041 122 H GLY 19 H GLY 19 -8.473 -2.359 -1.895 123 1HA GLY 19 1HA GLY 19 -8.716 -5.088 -0.805 124 2HA GLY 19 2HA GLY 19 -9.114 -4.620 -2.451 125 H THR 20 H THR 20 -6.564 -2.934 -2.393 126 HA THR 20 HA THR 20 -4.806 -5.090 -3.285 127 HB THR 20 HB THR 20 -3.456 -2.836 -3.885 128 HG1 THR 20 HG1 THR 20 -6.180 -2.105 -4.135 129 1HG2 THR 20 1HG2 THR 20 -5.719 -3.472 -5.683 130 2HG2 THR 20 2HG2 THR 20 -4.504 -4.711 -5.368 131 3HG2 THR 20 3HG2 THR 20 -4.024 -3.159 -6.054 132 H GLY 21 H GLY 21 -4.491 -5.692 -0.945 133 1HA GLY 21 1HA GLY 21 -3.195 -4.052 0.899 134 2HA GLY 21 2HA GLY 21 -3.042 -5.799 0.840 135 H HIS 22 H HIS 22 -1.956 -5.744 -1.893 136 HA HIS 22 HA HIS 22 0.787 -5.484 -1.185 137 1HB HIS 22 1HB HIS 22 -0.644 -6.110 -3.763 138 2HB HIS 22 2HB HIS 22 1.104 -5.906 -3.713 139 HD1 HIS 22 HD1 HIS 22 -1.386 -7.895 -1.615 140 HD2 HIS 22 HD2 HIS 22 2.272 -8.324 -3.539 141 HE1 HIS 22 HE1 HIS 22 -0.675 -10.268 -1.183 142 HE2 HIS 22 HE2 HIS 22 1.582 -10.478 -2.283 143 H CYS 23 H CYS 23 0.281 -4.216 -4.330 144 HA CYS 23 HA CYS 23 -0.218 -1.557 -3.906 145 1HB CYS 23 1HB CYS 23 2.214 -2.179 -2.716 146 2HB CYS 23 2HB CYS 23 2.656 -1.444 -4.238 147 H GLU 24 H GLU 24 0.060 -0.265 -5.730 148 HA GLU 24 HA GLU 24 0.729 -1.772 -8.159 149 1HB GLU 24 1HB GLU 24 -1.378 0.106 -7.470 150 2HB GLU 24 2HB GLU 24 -0.521 0.606 -8.921 151 1HG GLU 24 1HG GLU 24 -0.870 -1.910 -9.595 152 2HG GLU 24 2HG GLU 24 -2.194 -1.800 -8.436 153 H MET 25 H MET 25 2.615 -0.402 -6.312 154 HA MET 25 HA MET 25 3.887 1.324 -8.315 155 1HB MET 25 1HB MET 25 3.146 1.980 -5.527 156 2HB MET 25 2HB MET 25 4.770 2.448 -6.010 157 1HG MET 25 1HG MET 25 3.304 4.291 -6.375 158 2HG MET 25 2HG MET 25 3.800 3.652 -7.942 159 1HE MET 25 1HE MET 25 0.092 4.980 -8.402 160 2HE MET 25 2HE MET 25 1.682 4.976 -9.166 161 3HE MET 25 3HE MET 25 1.483 5.646 -7.547 162 H CYS 26 H CYS 26 4.505 -0.147 -5.102 163 HA CYS 26 HA CYS 26 7.226 -0.709 -5.893 164 1HB CYS 26 1HB CYS 26 7.282 -1.732 -3.571 165 2HB CYS 26 2HB CYS 26 7.038 -0.001 -3.658 166 H SER 27 H SER 27 4.353 -2.568 -4.914 167 HA SER 27 HA SER 27 3.624 -4.583 -5.848 168 1HB SER 27 1HB SER 27 5.455 -4.316 -7.644 169 2HB SER 27 2HB SER 27 6.451 -5.304 -6.576 170 HG SER 27 HG SER 27 3.996 -6.001 -7.803 171 H LEU 28 H LEU 28 4.407 -3.811 -3.302 172 HA LEU 28 HA LEU 28 5.453 -6.294 -2.144 173 1HB LEU 28 1HB LEU 28 5.943 -3.441 -1.659 174 2HB LEU 28 2HB LEU 28 5.756 -4.403 -0.231 175 HG LEU 28 HG LEU 28 7.751 -4.919 -2.422 176 1HD1 LEU 28 1HD1 LEU 28 8.695 -3.099 -1.452 177 2HD1 LEU 28 2HD1 LEU 28 9.275 -4.326 -0.328 178 3HD1 LEU 28 3HD1 LEU 28 7.867 -3.347 0.085 179 1HD2 LEU 28 1HD2 LEU 28 8.661 -6.624 -1.077 180 2HD2 LEU 28 2HD2 LEU 28 6.922 -6.905 -1.078 181 3HD2 LEU 28 3HD2 LEU 28 7.694 -6.154 0.318 182 HA PRO 29 HA PRO 29 1.756 -6.605 0.259 183 1HB PRO 29 1HB PRO 29 2.589 -7.274 2.734 184 2HB PRO 29 2HB PRO 29 2.763 -8.364 1.354 185 1HG PRO 29 1HG PRO 29 4.801 -6.600 2.648 186 2HG PRO 29 2HG PRO 29 4.977 -8.252 2.030 187 1HD PRO 29 1HD PRO 29 5.774 -6.006 0.666 188 2HD PRO 29 2HD PRO 29 5.341 -7.534 -0.115 189 H ARG 30 H ARG 30 0.465 -5.762 2.061 190 HA ARG 30 HA ARG 30 0.837 -2.967 2.400 191 1HB ARG 30 1HB ARG 30 -1.297 -4.703 2.519 192 2HB ARG 30 2HB ARG 30 -1.089 -4.226 4.192 193 1HG ARG 30 1HG ARG 30 -0.916 -1.834 2.856 194 2HG ARG 30 2HG ARG 30 -2.134 -2.720 1.936 195 1HD ARG 30 1HD ARG 30 -3.312 -1.548 3.612 196 2HD ARG 30 2HD ARG 30 -3.249 -3.227 4.147 197 HE ARG 30 HE ARG 30 -1.088 -1.694 5.197 198 1HH1 ARG 30 1HH1 ARG 30 -4.481 -2.392 5.618 199 2HH1 ARG 30 2HH1 ARG 30 -4.477 -2.015 7.308 200 1HH2 ARG 30 1HH2 ARG 30 -1.080 -1.199 7.420 201 2HH2 ARG 30 2HH2 ARG 30 -2.547 -1.337 8.331 202 H THR 31 H THR 31 2.154 -5.554 3.965 203 HA THR 31 HA THR 31 3.039 -3.862 6.153 204 HB THR 31 HB THR 31 1.587 -6.481 6.504 205 HG1 THR 31 HG1 THR 31 1.218 -3.970 7.761 206 1HG2 THR 31 1HG2 THR 31 3.548 -6.595 7.934 207 2HG2 THR 31 2HG2 THR 31 2.082 -6.366 8.889 208 3HG2 THR 31 3HG2 THR 31 3.167 -5.005 8.599 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -18.641 3.367 -0.552 2 2H GLY 1 2H GLY 1 -19.771 4.500 -1.099 3 3H GLY 1 3H GLY 1 -18.916 3.555 -2.210 4 1HA GLY 1 1HA GLY 1 -21.051 2.708 -0.348 5 2HA GLY 1 2HA GLY 1 -21.044 2.598 -2.101 6 H SER 2 H SER 2 -18.707 1.441 -2.714 7 HA SER 2 HA SER 2 -18.978 -1.204 -1.478 8 1HB SER 2 1HB SER 2 -18.016 -0.251 -4.156 9 2HB SER 2 2HB SER 2 -17.508 -1.827 -3.549 10 HG SER 2 HG SER 2 -19.630 -1.463 -4.844 11 H THR 3 H THR 3 -16.677 1.356 -2.108 12 HA THR 3 HA THR 3 -14.433 -0.175 -1.113 13 HB THR 3 HB THR 3 -14.643 2.757 -1.827 14 HG1 THR 3 HG1 THR 3 -14.349 2.143 -3.800 15 1HG2 THR 3 1HG2 THR 3 -12.059 1.353 -1.962 16 2HG2 THR 3 2HG2 THR 3 -12.661 1.738 -0.350 17 3HG2 THR 3 3HG2 THR 3 -12.431 3.023 -1.535 18 H SER 4 H SER 4 -13.420 0.063 0.844 19 HA SER 4 HA SER 4 -15.013 1.318 2.938 20 1HB SER 4 1HB SER 4 -12.847 -0.742 2.873 21 2HB SER 4 2HB SER 4 -13.097 0.173 4.359 22 HG SER 4 HG SER 4 -15.188 -0.586 4.455 23 H ALA 5 H ALA 5 -11.483 1.027 2.664 24 HA ALA 5 HA ALA 5 -11.115 3.881 2.545 25 1HB ALA 5 1HB ALA 5 -11.618 3.535 4.935 26 2HB ALA 5 2HB ALA 5 -9.983 4.136 4.665 27 3HB ALA 5 3HB ALA 5 -10.245 2.433 5.043 28 H MET 6 H MET 6 -9.280 4.314 1.491 29 HA MET 6 HA MET 6 -7.571 2.200 0.636 30 1HB MET 6 1HB MET 6 -7.515 5.189 0.309 31 2HB MET 6 2HB MET 6 -6.238 4.170 -0.319 32 1HG MET 6 1HG MET 6 -7.449 3.537 -2.073 33 2HG MET 6 2HG MET 6 -8.879 3.243 -1.086 34 1HE MET 6 1HE MET 6 -11.169 5.888 -1.632 35 2HE MET 6 2HE MET 6 -10.232 6.171 -0.165 36 3HE MET 6 3HE MET 6 -10.612 4.523 -0.664 37 H TRP 7 H TRP 7 -5.064 2.794 0.712 38 HA TRP 7 HA TRP 7 -4.358 3.662 3.412 39 1HB TRP 7 1HB TRP 7 -2.763 1.771 3.655 40 2HB TRP 7 2HB TRP 7 -4.448 1.292 3.675 41 HD1 TRP 7 HD1 TRP 7 -5.354 0.016 1.384 42 HE1 TRP 7 HE1 TRP 7 -4.066 -1.522 -0.247 43 HE3 TRP 7 HE3 TRP 7 -0.567 1.371 2.588 44 HZ2 TRP 7 HZ2 TRP 7 -1.392 -2.090 -0.905 45 HZ3 TRP 7 HZ3 TRP 7 1.297 0.286 1.404 46 HH2 TRP 7 HH2 TRP 7 0.898 -1.402 -0.316 47 H ALA 8 H ALA 8 -2.107 4.124 3.714 48 HA ALA 8 HA ALA 8 -0.880 5.122 1.228 49 1HB ALA 8 1HB ALA 8 0.182 6.826 2.529 50 2HB ALA 8 2HB ALA 8 -0.337 6.073 4.038 51 3HB ALA 8 3HB ALA 8 -1.527 6.803 2.961 52 H CYS 9 H CYS 9 0.767 3.952 0.522 53 HA CYS 9 HA CYS 9 2.040 1.955 2.050 54 1HB CYS 9 1HB CYS 9 1.783 2.033 -0.472 55 2HB CYS 9 2HB CYS 9 3.114 3.188 -0.480 56 H GLN 10 H GLN 10 4.375 1.805 2.446 57 HA GLN 10 HA GLN 10 5.500 4.418 3.188 58 1HB GLN 10 1HB GLN 10 6.200 1.859 4.603 59 2HB GLN 10 2HB GLN 10 6.404 3.514 5.161 60 1HG GLN 10 1HG GLN 10 4.562 3.163 6.354 61 2HG GLN 10 2HG GLN 10 3.695 3.340 4.829 62 1HE2 GLN 10 1HE2 GLN 10 2.917 1.516 3.782 63 2HE2 GLN 10 2HE2 GLN 10 2.789 -0.017 4.568 64 H HIS 11 H HIS 11 5.854 3.095 0.661 65 HA HIS 11 HA HIS 11 8.771 2.798 0.728 66 1HB HIS 11 1HB HIS 11 7.255 0.576 0.503 67 2HB HIS 11 2HB HIS 11 7.316 1.057 -1.189 68 HD1 HIS 11 HD1 HIS 11 9.498 0.709 -2.432 69 HD2 HIS 11 HD2 HIS 11 9.772 -0.125 1.629 70 HE1 HIS 11 HE1 HIS 11 11.730 -0.413 -2.125 71 HE2 HIS 11 HE2 HIS 11 11.829 -0.985 0.325 72 H CYS 12 H CYS 12 5.995 2.808 -1.501 73 HA CYS 12 HA CYS 12 7.464 4.393 -3.418 74 1HB CYS 12 1HB CYS 12 5.290 4.227 -4.674 75 2HB CYS 12 2HB CYS 12 6.085 2.699 -4.367 76 H THR 13 H THR 13 4.914 4.674 -1.072 77 HA THR 13 HA THR 13 4.121 6.478 0.059 78 HB THR 13 HB THR 13 6.431 7.501 -0.694 79 HG1 THR 13 HG1 THR 13 4.217 8.966 0.276 80 1HG2 THR 13 1HG2 THR 13 4.962 8.372 -2.862 81 2HG2 THR 13 2HG2 THR 13 6.504 9.021 -2.309 82 3HG2 THR 13 3HG2 THR 13 4.996 9.767 -1.784 83 H PHE 14 H PHE 14 2.729 5.210 -1.997 84 HA PHE 14 HA PHE 14 1.121 7.429 -3.058 85 1HB PHE 14 1HB PHE 14 2.240 6.133 -4.829 86 2HB PHE 14 2HB PHE 14 1.475 4.669 -4.238 87 HD1 PHE 14 HD1 PHE 14 0.474 8.117 -5.265 88 HD2 PHE 14 HD2 PHE 14 -0.361 3.946 -5.395 89 HE1 PHE 14 HE1 PHE 14 -1.460 8.553 -6.723 90 HE2 PHE 14 HE2 PHE 14 -2.295 4.374 -6.853 91 HZ PHE 14 HZ PHE 14 -2.848 6.680 -7.518 92 H MET 15 H MET 15 -1.170 6.825 -3.398 93 HA MET 15 HA MET 15 -2.183 5.527 -1.007 94 1HB MET 15 1HB MET 15 -3.034 7.728 -2.317 95 2HB MET 15 2HB MET 15 -4.059 6.524 -3.084 96 1HG MET 15 1HG MET 15 -5.267 6.150 -1.211 97 2HG MET 15 2HG MET 15 -3.901 6.446 -0.137 98 1HE MET 15 1HE MET 15 -6.127 7.152 0.985 99 2HE MET 15 2HE MET 15 -6.822 8.769 0.870 100 3HE MET 15 3HE MET 15 -5.275 8.529 1.684 101 H ASN 16 H ASN 16 -3.599 3.794 -0.990 102 HA ASN 16 HA ASN 16 -3.838 2.281 -3.487 103 1HB ASN 16 1HB ASN 16 -1.857 1.728 -1.801 104 2HB ASN 16 2HB ASN 16 -3.129 0.817 -1.014 105 1HD2 ASN 16 1HD2 ASN 16 -1.285 1.216 -3.942 106 2HD2 ASN 16 2HD2 ASN 16 -1.589 -0.358 -4.584 107 H GLN 17 H GLN 17 -5.608 0.912 -3.620 108 HA GLN 17 HA GLN 17 -7.878 1.591 -2.104 109 1HB GLN 17 1HB GLN 17 -7.237 -0.369 -4.200 110 2HB GLN 17 2HB GLN 17 -8.679 -0.680 -3.253 111 1HG GLN 17 1HG GLN 17 -8.171 1.962 -4.579 112 2HG GLN 17 2HG GLN 17 -8.940 0.621 -5.425 113 1HE2 GLN 17 1HE2 GLN 17 -9.404 3.270 -3.420 114 2HE2 GLN 17 2HE2 GLN 17 -11.045 2.969 -2.971 115 HA PRO 18 HA PRO 18 -7.806 -1.212 1.302 116 1HB PRO 18 1HB PRO 18 -10.376 -1.974 1.577 117 2HB PRO 18 2HB PRO 18 -9.840 -0.322 1.906 118 1HG PRO 18 1HG PRO 18 -11.193 -1.427 -0.522 119 2HG PRO 18 2HG PRO 18 -11.491 0.099 0.327 120 1HD PRO 18 1HD PRO 18 -10.014 -0.085 -1.957 121 2HD PRO 18 2HD PRO 18 -9.756 1.167 -0.728 122 H GLY 19 H GLY 19 -8.427 -2.414 -1.780 123 1HA GLY 19 1HA GLY 19 -8.634 -5.186 -0.794 124 2HA GLY 19 2HA GLY 19 -9.087 -4.653 -2.407 125 H THR 20 H THR 20 -6.526 -2.961 -2.319 126 HA THR 20 HA THR 20 -4.800 -5.063 -3.387 127 HB THR 20 HB THR 20 -3.460 -2.802 -3.925 128 HG1 THR 20 HG1 THR 20 -6.170 -1.987 -3.984 129 1HG2 THR 20 1HG2 THR 20 -4.453 -2.740 -6.085 130 2HG2 THR 20 2HG2 THR 20 -5.872 -3.614 -5.509 131 3HG2 THR 20 3HG2 THR 20 -4.305 -4.422 -5.576 132 H GLY 21 H GLY 21 -4.585 -5.667 -0.951 133 1HA GLY 21 1HA GLY 21 -3.183 -4.172 0.891 134 2HA GLY 21 2HA GLY 21 -3.050 -5.915 0.753 135 H HIS 22 H HIS 22 -1.985 -5.747 -1.986 136 HA HIS 22 HA HIS 22 0.769 -5.520 -1.281 137 1HB HIS 22 1HB HIS 22 -0.668 -6.075 -3.872 138 2HB HIS 22 2HB HIS 22 1.082 -5.900 -3.808 139 HD1 HIS 22 HD1 HIS 22 -1.532 -7.949 -1.932 140 HD2 HIS 22 HD2 HIS 22 2.292 -8.290 -3.521 141 HE1 HIS 22 HE1 HIS 22 -0.838 -10.329 -1.511 142 HE2 HIS 22 HE2 HIS 22 1.443 -10.535 -2.559 143 H CYS 23 H CYS 23 0.279 -4.191 -4.393 144 HA CYS 23 HA CYS 23 -0.233 -1.541 -3.926 145 1HB CYS 23 1HB CYS 23 2.192 -2.183 -2.727 146 2HB CYS 23 2HB CYS 23 2.643 -1.415 -4.229 147 H GLU 24 H GLU 24 -0.013 -0.250 -5.741 148 HA GLU 24 HA GLU 24 0.697 -1.713 -8.182 149 1HB GLU 24 1HB GLU 24 -1.401 0.170 -7.477 150 2HB GLU 24 2HB GLU 24 -0.534 0.683 -8.918 151 1HG GLU 24 1HG GLU 24 -0.897 -1.830 -9.616 152 2HG GLU 24 2HG GLU 24 -2.234 -1.710 -8.471 153 H MET 25 H MET 25 2.594 -0.395 -6.321 154 HA MET 25 HA MET 25 3.880 1.352 -8.296 155 1HB MET 25 1HB MET 25 3.141 1.979 -5.500 156 2HB MET 25 2HB MET 25 4.766 2.449 -5.984 157 1HG MET 25 1HG MET 25 2.612 3.169 -7.856 158 2HG MET 25 2HG MET 25 2.594 3.996 -6.299 159 1HE MET 25 1HE MET 25 5.407 2.615 -8.573 160 2HE MET 25 2HE MET 25 6.144 4.071 -9.231 161 3HE MET 25 3HE MET 25 4.527 3.588 -9.746 162 H CYS 26 H CYS 26 4.501 -0.133 -5.089 163 HA CYS 26 HA CYS 26 7.216 -0.706 -5.889 164 1HB CYS 26 1HB CYS 26 7.241 -1.789 -3.577 165 2HB CYS 26 2HB CYS 26 7.070 -0.049 -3.646 166 H SER 27 H SER 27 4.362 -2.581 -4.883 167 HA SER 27 HA SER 27 3.610 -4.566 -5.881 168 1HB SER 27 1HB SER 27 5.457 -4.312 -7.653 169 2HB SER 27 2HB SER 27 6.444 -5.300 -6.576 170 HG SER 27 HG SER 27 4.603 -6.822 -6.665 171 H LEU 28 H LEU 28 4.391 -3.826 -3.305 172 HA LEU 28 HA LEU 28 5.342 -6.360 -2.177 173 1HB LEU 28 1HB LEU 28 5.959 -3.537 -1.650 174 2HB LEU 28 2HB LEU 28 5.745 -4.521 -0.243 175 HG LEU 28 HG LEU 28 7.691 -5.091 -2.463 176 1HD1 LEU 28 1HD1 LEU 28 8.499 -3.167 -1.390 177 2HD1 LEU 28 2HD1 LEU 28 9.375 -4.506 -0.648 178 3HD1 LEU 28 3HD1 LEU 28 8.021 -3.753 0.204 179 1HD2 LEU 28 1HD2 LEU 28 8.563 -6.828 -1.114 180 2HD2 LEU 28 2HD2 LEU 28 6.813 -7.055 -1.142 181 3HD2 LEU 28 3HD2 LEU 28 7.593 -6.342 0.272 182 HA PRO 29 HA PRO 29 1.628 -6.497 0.219 183 1HB PRO 29 1HB PRO 29 2.423 -7.428 2.611 184 2HB PRO 29 2HB PRO 29 2.525 -8.414 1.146 185 1HG PRO 29 1HG PRO 29 4.675 -6.900 2.568 186 2HG PRO 29 2HG PRO 29 4.742 -8.504 1.819 187 1HD PRO 29 1HD PRO 29 5.673 -6.193 0.637 188 2HD PRO 29 2HD PRO 29 5.177 -7.640 -0.256 189 H ARG 30 H ARG 30 0.406 -5.633 2.018 190 HA ARG 30 HA ARG 30 1.079 -2.938 2.615 191 1HB ARG 30 1HB ARG 30 -1.247 -4.374 2.519 192 2HB ARG 30 2HB ARG 30 -1.026 -4.164 4.244 193 1HG ARG 30 1HG ARG 30 -0.993 -1.785 4.025 194 2HG ARG 30 2HG ARG 30 -0.985 -1.903 2.264 195 1HD ARG 30 1HD ARG 30 -3.210 -1.365 3.386 196 2HD ARG 30 2HD ARG 30 -3.202 -2.664 2.195 197 HE ARG 30 HE ARG 30 -2.816 -3.567 4.896 198 1HH1 ARG 30 1HH1 ARG 30 -5.180 -2.745 2.465 199 2HH1 ARG 30 2HH1 ARG 30 -6.427 -3.718 3.169 200 1HH2 ARG 30 1HH2 ARG 30 -4.455 -4.849 5.824 201 2HH2 ARG 30 2HH2 ARG 30 -6.016 -4.912 5.077 202 H THR 31 H THR 31 2.013 -5.800 3.973 203 HA THR 31 HA THR 31 3.065 -4.422 6.304 204 HB THR 31 HB THR 31 1.264 -6.838 6.416 205 HG1 THR 31 HG1 THR 31 1.217 -4.414 7.881 206 1HG2 THR 31 1HG2 THR 31 3.208 -7.293 7.846 207 2HG2 THR 31 2HG2 THR 31 1.728 -7.055 8.774 208 3HG2 THR 31 3HG2 THR 31 2.928 -5.767 8.685 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -10.736 7.965 -7.871 2 2H GLY 1 2H GLY 1 -9.837 6.839 -6.984 3 3H GLY 1 3H GLY 1 -10.547 8.159 -6.200 4 1HA GLY 1 1HA GLY 1 -12.740 7.335 -6.615 5 2HA GLY 1 2HA GLY 1 -12.078 6.031 -7.588 6 H SER 2 H SER 2 -13.066 6.986 -4.504 7 HA SER 2 HA SER 2 -11.563 4.905 -3.125 8 1HB SER 2 1HB SER 2 -12.656 5.795 -1.085 9 2HB SER 2 2HB SER 2 -11.803 7.048 -1.984 10 HG SER 2 HG SER 2 -13.767 7.763 -2.792 11 H THR 3 H THR 3 -12.475 3.104 -2.172 12 HA THR 3 HA THR 3 -15.231 2.489 -3.013 13 HB THR 3 HB THR 3 -13.537 1.102 -4.138 14 HG1 THR 3 HG1 THR 3 -15.282 -0.097 -3.949 15 1HG2 THR 3 1HG2 THR 3 -11.869 1.130 -2.267 16 2HG2 THR 3 2HG2 THR 3 -12.153 -0.444 -3.011 17 3HG2 THR 3 3HG2 THR 3 -12.881 -0.062 -1.451 18 H SER 4 H SER 4 -12.825 2.096 -0.453 19 HA SER 4 HA SER 4 -14.973 2.008 1.509 20 1HB SER 4 1HB SER 4 -13.874 -0.373 0.676 21 2HB SER 4 2HB SER 4 -12.907 0.009 2.100 22 HG SER 4 HG SER 4 -14.650 -1.055 2.874 23 H ALA 5 H ALA 5 -11.484 1.289 1.574 24 HA ALA 5 HA ALA 5 -10.872 3.810 2.826 25 1HB ALA 5 1HB ALA 5 -9.942 2.794 4.886 26 2HB ALA 5 2HB ALA 5 -10.678 1.261 4.420 27 3HB ALA 5 3HB ALA 5 -11.696 2.657 4.768 28 H MET 6 H MET 6 -9.252 4.232 1.418 29 HA MET 6 HA MET 6 -7.393 2.266 0.535 30 1HB MET 6 1HB MET 6 -7.350 5.276 0.366 31 2HB MET 6 2HB MET 6 -6.210 4.226 -0.442 32 1HG MET 6 1HG MET 6 -7.596 4.327 -2.174 33 2HG MET 6 2HG MET 6 -8.599 3.199 -1.264 34 1HE MET 6 1HE MET 6 -9.645 7.266 -2.700 35 2HE MET 6 2HE MET 6 -9.625 5.735 -3.576 36 3HE MET 6 3HE MET 6 -8.129 6.390 -2.908 37 H TRP 7 H TRP 7 -4.972 2.795 0.747 38 HA TRP 7 HA TRP 7 -4.330 3.739 3.441 39 1HB TRP 7 1HB TRP 7 -2.712 1.848 3.709 40 2HB TRP 7 2HB TRP 7 -4.401 1.381 3.755 41 HD1 TRP 7 HD1 TRP 7 -5.342 0.043 1.538 42 HE1 TRP 7 HE1 TRP 7 -4.093 -1.502 -0.113 43 HE3 TRP 7 HE3 TRP 7 -0.535 1.473 2.560 44 HZ2 TRP 7 HZ2 TRP 7 -1.434 -2.045 -0.856 45 HZ3 TRP 7 HZ3 TRP 7 1.301 0.392 1.328 46 HH2 TRP 7 HH2 TRP 7 0.866 -1.324 -0.352 47 H ALA 8 H ALA 8 -2.073 4.212 3.773 48 HA ALA 8 HA ALA 8 -0.829 5.200 1.295 49 1HB ALA 8 1HB ALA 8 -1.425 6.905 2.977 50 2HB ALA 8 2HB ALA 8 0.309 6.841 2.666 51 3HB ALA 8 3HB ALA 8 -0.350 6.115 4.132 52 H CYS 9 H CYS 9 0.780 3.987 0.571 53 HA CYS 9 HA CYS 9 2.048 1.976 2.077 54 1HB CYS 9 1HB CYS 9 1.760 2.076 -0.445 55 2HB CYS 9 2HB CYS 9 3.114 3.203 -0.458 56 H GLN 10 H GLN 10 4.384 1.798 2.450 57 HA GLN 10 HA GLN 10 5.543 4.395 3.193 58 1HB GLN 10 1HB GLN 10 6.234 1.819 4.581 59 2HB GLN 10 2HB GLN 10 6.464 3.466 5.148 60 1HG GLN 10 1HG GLN 10 4.633 3.127 6.361 61 2HG GLN 10 2HG GLN 10 3.749 3.325 4.849 62 1HE2 GLN 10 1HE2 GLN 10 2.938 1.517 3.798 63 2HE2 GLN 10 2HE2 GLN 10 2.804 -0.020 4.575 64 H HIS 11 H HIS 11 5.860 3.092 0.653 65 HA HIS 11 HA HIS 11 8.773 2.769 0.687 66 1HB HIS 11 1HB HIS 11 7.445 0.527 0.551 67 2HB HIS 11 2HB HIS 11 7.097 1.027 -1.101 68 HD1 HIS 11 HD1 HIS 11 8.940 0.764 -2.814 69 HD2 HIS 11 HD2 HIS 11 10.208 0.003 1.069 70 HE1 HIS 11 HE1 HIS 11 11.237 -0.219 -3.041 71 HE2 HIS 11 HE2 HIS 11 12.023 -0.592 -0.674 72 H CYS 12 H CYS 12 5.970 2.833 -1.504 73 HA CYS 12 HA CYS 12 7.433 4.417 -3.428 74 1HB CYS 12 1HB CYS 12 5.234 4.282 -4.656 75 2HB CYS 12 2HB CYS 12 6.031 2.747 -4.382 76 H THR 13 H THR 13 4.893 4.698 -1.066 77 HA THR 13 HA THR 13 4.136 6.504 0.094 78 HB THR 13 HB THR 13 6.438 7.521 -0.695 79 HG1 THR 13 HG1 THR 13 5.853 8.578 0.996 80 1HG2 THR 13 1HG2 THR 13 6.488 9.065 -2.291 81 2HG2 THR 13 2HG2 THR 13 4.976 9.792 -1.748 82 3HG2 THR 13 3HG2 THR 13 4.947 8.403 -2.833 83 H PHE 14 H PHE 14 2.723 5.252 -1.972 84 HA PHE 14 HA PHE 14 1.083 7.479 -2.963 85 1HB PHE 14 1HB PHE 14 2.210 6.269 -4.780 86 2HB PHE 14 2HB PHE 14 1.492 4.766 -4.229 87 HD1 PHE 14 HD1 PHE 14 0.386 8.210 -5.154 88 HD2 PHE 14 HD2 PHE 14 -0.332 4.023 -5.387 89 HE1 PHE 14 HE1 PHE 14 -1.569 8.630 -6.588 90 HE2 PHE 14 HE2 PHE 14 -2.288 4.433 -6.822 91 HZ PHE 14 HZ PHE 14 -2.909 6.740 -7.425 92 H MET 15 H MET 15 -1.207 6.844 -3.313 93 HA MET 15 HA MET 15 -2.179 5.460 -0.948 94 1HB MET 15 1HB MET 15 -3.083 7.682 -2.129 95 2HB MET 15 2HB MET 15 -4.047 6.514 -3.023 96 1HG MET 15 1HG MET 15 -5.320 5.983 -1.236 97 2HG MET 15 2HG MET 15 -4.000 6.208 -0.089 98 1HE MET 15 1HE MET 15 -4.554 8.520 1.773 99 2HE MET 15 2HE MET 15 -5.410 7.001 1.501 100 3HE MET 15 3HE MET 15 -6.304 8.520 1.556 101 H ASN 16 H ASN 16 -3.636 3.737 -0.992 102 HA ASN 16 HA ASN 16 -3.791 2.257 -3.515 103 1HB ASN 16 1HB ASN 16 -1.876 1.697 -1.741 104 2HB ASN 16 2HB ASN 16 -3.174 0.748 -1.052 105 1HD2 ASN 16 1HD2 ASN 16 -1.330 1.331 -3.974 106 2HD2 ASN 16 2HD2 ASN 16 -1.520 -0.252 -4.637 107 H GLN 17 H GLN 17 -5.482 0.729 -3.641 108 HA GLN 17 HA GLN 17 -7.859 1.441 -2.317 109 1HB GLN 17 1HB GLN 17 -7.042 -0.685 -4.188 110 2HB GLN 17 2HB GLN 17 -8.557 -0.902 -3.333 111 1HG GLN 17 1HG GLN 17 -7.921 1.598 -4.863 112 2HG GLN 17 2HG GLN 17 -8.643 0.184 -5.628 113 1HE2 GLN 17 1HE2 GLN 17 -9.096 2.698 -3.243 114 2HE2 GLN 17 2HE2 GLN 17 -10.817 2.575 -3.155 115 HA PRO 18 HA PRO 18 -7.928 -1.051 1.318 116 1HB PRO 18 1HB PRO 18 -10.499 -1.864 1.476 117 2HB PRO 18 2HB PRO 18 -10.019 -0.183 1.728 118 1HG PRO 18 1HG PRO 18 -11.161 -1.478 -0.718 119 2HG PRO 18 2HG PRO 18 -11.574 0.082 0.018 120 1HD PRO 18 1HD PRO 18 -9.939 -0.140 -2.136 121 2HD PRO 18 2HD PRO 18 -9.766 1.149 -0.928 122 H GLY 19 H GLY 19 -8.494 -2.513 -1.706 123 1HA GLY 19 1HA GLY 19 -8.522 -5.199 -0.485 124 2HA GLY 19 2HA GLY 19 -9.095 -4.830 -2.104 125 H THR 20 H THR 20 -6.565 -2.995 -2.150 126 HA THR 20 HA THR 20 -4.838 -5.047 -3.297 127 HB THR 20 HB THR 20 -3.545 -2.847 -3.930 128 HG1 THR 20 HG1 THR 20 -5.041 -1.116 -4.160 129 1HG2 THR 20 1HG2 THR 20 -6.193 -3.399 -5.225 130 2HG2 THR 20 2HG2 THR 20 -4.721 -4.323 -5.524 131 3HG2 THR 20 3HG2 THR 20 -4.788 -2.613 -5.944 132 H GLY 21 H GLY 21 -4.635 -5.583 -0.784 133 1HA GLY 21 1HA GLY 21 -3.159 -4.117 0.991 134 2HA GLY 21 2HA GLY 21 -3.028 -5.860 0.852 135 H HIS 22 H HIS 22 -2.010 -5.703 -1.904 136 HA HIS 22 HA HIS 22 0.754 -5.461 -1.247 137 1HB HIS 22 1HB HIS 22 -0.719 -6.039 -3.815 138 2HB HIS 22 2HB HIS 22 1.033 -5.867 -3.771 139 HD1 HIS 22 HD1 HIS 22 -1.481 -7.844 -1.687 140 HD2 HIS 22 HD2 HIS 22 2.157 -8.308 -3.641 141 HE1 HIS 22 HE1 HIS 22 -0.809 -10.235 -1.295 142 HE2 HIS 22 HE2 HIS 22 1.438 -10.469 -2.414 143 H CYS 23 H CYS 23 0.226 -4.165 -4.364 144 HA CYS 23 HA CYS 23 -0.290 -1.509 -3.906 145 1HB CYS 23 1HB CYS 23 2.167 -2.141 -2.760 146 2HB CYS 23 2HB CYS 23 2.576 -1.372 -4.275 147 H GLU 24 H GLU 24 0.058 -0.165 -5.719 148 HA GLU 24 HA GLU 24 0.637 -1.675 -8.171 149 1HB GLU 24 1HB GLU 24 -1.413 0.248 -7.438 150 2HB GLU 24 2HB GLU 24 -0.566 0.737 -8.899 151 1HG GLU 24 1HG GLU 24 -1.017 -1.898 -9.390 152 2HG GLU 24 2HG GLU 24 -2.444 -1.459 -8.451 153 H MET 25 H MET 25 2.562 -0.326 -6.321 154 HA MET 25 HA MET 25 3.861 1.352 -8.349 155 1HB MET 25 1HB MET 25 2.808 2.312 -5.940 156 2HB MET 25 2HB MET 25 4.536 2.173 -5.652 157 1HG MET 25 1HG MET 25 3.907 4.392 -6.455 158 2HG MET 25 2HG MET 25 5.006 3.571 -7.563 159 1HE MET 25 1HE MET 25 4.775 4.733 -9.520 160 2HE MET 25 2HE MET 25 3.417 4.663 -10.642 161 3HE MET 25 3HE MET 25 4.312 3.195 -10.248 162 H CYS 26 H CYS 26 4.478 -0.084 -5.117 163 HA CYS 26 HA CYS 26 7.185 -0.691 -5.907 164 1HB CYS 26 1HB CYS 26 7.203 -1.750 -3.589 165 2HB CYS 26 2HB CYS 26 7.022 -0.011 -3.668 166 H SER 27 H SER 27 4.306 -2.540 -4.918 167 HA SER 27 HA SER 27 3.553 -4.536 -5.876 168 1HB SER 27 1HB SER 27 5.373 -4.266 -7.681 169 2HB SER 27 2HB SER 27 6.368 -5.272 -6.629 170 HG SER 27 HG SER 27 3.862 -5.950 -7.775 171 H LEU 28 H LEU 28 4.352 -3.801 -3.325 172 HA LEU 28 HA LEU 28 5.394 -6.306 -2.208 173 1HB LEU 28 1HB LEU 28 5.886 -3.460 -1.671 174 2HB LEU 28 2HB LEU 28 5.704 -4.451 -0.264 175 HG LEU 28 HG LEU 28 7.692 -4.924 -2.471 176 1HD1 LEU 28 1HD1 LEU 28 8.657 -3.134 -1.481 177 2HD1 LEU 28 2HD1 LEU 28 9.211 -4.371 -0.347 178 3HD1 LEU 28 3HD1 LEU 28 7.805 -3.375 0.044 179 1HD2 LEU 28 1HD2 LEU 28 7.628 -6.210 0.248 180 2HD2 LEU 28 2HD2 LEU 28 8.622 -6.646 -1.144 181 3HD2 LEU 28 3HD2 LEU 28 6.885 -6.940 -1.173 182 HA PRO 29 HA PRO 29 1.690 -6.635 0.184 183 1HB PRO 29 1HB PRO 29 2.523 -7.493 2.591 184 2HB PRO 29 2HB PRO 29 2.683 -8.488 1.139 185 1HG PRO 29 1HG PRO 29 4.744 -6.843 2.547 186 2HG PRO 29 2HG PRO 29 4.900 -8.451 1.820 187 1HD PRO 29 1HD PRO 29 5.714 -6.115 0.609 188 2HD PRO 29 2HD PRO 29 5.286 -7.594 -0.267 189 H ARG 30 H ARG 30 0.424 -5.850 2.005 190 HA ARG 30 HA ARG 30 0.910 -3.105 2.554 191 1HB ARG 30 1HB ARG 30 -1.305 -4.721 2.508 192 2HB ARG 30 2HB ARG 30 -1.089 -4.437 4.222 193 1HG ARG 30 1HG ARG 30 -1.195 -2.055 3.899 194 2HG ARG 30 2HG ARG 30 -1.267 -2.268 2.149 195 1HD ARG 30 1HD ARG 30 -3.488 -2.142 2.447 196 2HD ARG 30 2HD ARG 30 -3.341 -3.823 2.957 197 HE ARG 30 HE ARG 30 -2.950 -1.986 5.111 198 1HH1 ARG 30 1HH1 ARG 30 -5.375 -3.611 3.199 199 2HH1 ARG 30 2HH1 ARG 30 -6.583 -3.534 4.437 200 1HH2 ARG 30 1HH2 ARG 30 -4.538 -1.882 6.741 201 2HH2 ARG 30 2HH2 ARG 30 -6.109 -2.551 6.448 202 H THR 31 H THR 31 2.070 -5.869 3.939 203 HA THR 31 HA THR 31 3.027 -4.384 6.246 204 HB THR 31 HB THR 31 1.425 -6.935 6.402 205 HG1 THR 31 HG1 THR 31 1.190 -4.504 7.837 206 1HG2 THR 31 1HG2 THR 31 3.133 -5.720 8.562 207 2HG2 THR 31 2HG2 THR 31 3.308 -7.320 7.841 208 3HG2 THR 31 3HG2 THR 31 1.893 -6.947 8.825 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -19.362 4.949 -5.927 2 2H GLY 1 2H GLY 1 -19.729 3.455 -6.632 3 3H GLY 1 3H GLY 1 -19.000 4.670 -7.556 4 1HA GLY 1 1HA GLY 1 -17.397 2.965 -6.935 5 2HA GLY 1 2HA GLY 1 -16.991 4.537 -6.263 6 H SER 2 H SER 2 -17.959 1.289 -5.582 7 HA SER 2 HA SER 2 -18.395 1.719 -2.770 8 1HB SER 2 1HB SER 2 -18.377 -0.638 -4.600 9 2HB SER 2 2HB SER 2 -18.143 -0.928 -2.877 10 HG SER 2 HG SER 2 -20.271 0.645 -3.876 11 H THR 3 H THR 3 -16.872 1.900 -1.275 12 HA THR 3 HA THR 3 -14.506 0.293 -1.286 13 HB THR 3 HB THR 3 -14.190 3.272 -1.700 14 HG1 THR 3 HG1 THR 3 -13.613 2.809 -3.702 15 1HG2 THR 3 1HG2 THR 3 -12.486 1.886 -0.247 16 2HG2 THR 3 2HG2 THR 3 -11.946 3.100 -1.406 17 3HG2 THR 3 3HG2 THR 3 -11.905 1.391 -1.836 18 H SER 4 H SER 4 -13.540 0.200 0.716 19 HA SER 4 HA SER 4 -15.066 1.358 2.888 20 1HB SER 4 1HB SER 4 -12.767 -0.604 2.816 21 2HB SER 4 2HB SER 4 -13.496 -0.023 4.313 22 HG SER 4 HG SER 4 -15.538 -0.806 3.361 23 H ALA 5 H ALA 5 -11.542 0.984 2.631 24 HA ALA 5 HA ALA 5 -11.087 3.822 2.825 25 1HB ALA 5 1HB ALA 5 -9.808 3.632 4.972 26 2HB ALA 5 2HB ALA 5 -10.522 2.033 5.181 27 3HB ALA 5 3HB ALA 5 -11.556 3.460 5.132 28 H MET 6 H MET 6 -9.337 4.226 1.652 29 HA MET 6 HA MET 6 -7.615 2.142 0.751 30 1HB MET 6 1HB MET 6 -7.627 5.129 0.432 31 2HB MET 6 2HB MET 6 -6.323 4.151 -0.202 32 1HG MET 6 1HG MET 6 -7.499 3.734 -2.021 33 2HG MET 6 2HG MET 6 -8.755 2.977 -1.043 34 1HE MET 6 1HE MET 6 -9.435 5.294 -3.979 35 2HE MET 6 2HE MET 6 -7.766 5.213 -3.416 36 3HE MET 6 3HE MET 6 -8.655 6.734 -3.323 37 H TRP 7 H TRP 7 -5.119 2.783 0.776 38 HA TRP 7 HA TRP 7 -4.363 3.641 3.464 39 1HB TRP 7 1HB TRP 7 -2.757 1.761 3.677 40 2HB TRP 7 2HB TRP 7 -4.437 1.262 3.707 41 HD1 TRP 7 HD1 TRP 7 -5.348 0.008 1.401 42 HE1 TRP 7 HE1 TRP 7 -4.056 -1.504 -0.252 43 HE3 TRP 7 HE3 TRP 7 -0.568 1.385 2.602 44 HZ2 TRP 7 HZ2 TRP 7 -1.380 -2.040 -0.928 45 HZ3 TRP 7 HZ3 TRP 7 1.300 0.327 1.399 46 HH2 TRP 7 HH2 TRP 7 0.906 -1.344 -0.338 47 H ALA 8 H ALA 8 -2.089 4.086 3.715 48 HA ALA 8 HA ALA 8 -0.917 5.090 1.202 49 1HB ALA 8 1HB ALA 8 -1.538 6.823 2.846 50 2HB ALA 8 2HB ALA 8 0.195 6.791 2.519 51 3HB ALA 8 3HB ALA 8 -0.434 6.089 4.009 52 H CYS 9 H CYS 9 0.770 3.974 0.498 53 HA CYS 9 HA CYS 9 2.060 1.986 2.026 54 1HB CYS 9 1HB CYS 9 1.808 2.085 -0.504 55 2HB CYS 9 2HB CYS 9 3.149 3.226 -0.491 56 H GLN 10 H GLN 10 4.399 1.862 2.414 57 HA GLN 10 HA GLN 10 5.501 4.483 3.159 58 1HB GLN 10 1HB GLN 10 6.203 1.937 4.594 59 2HB GLN 10 2HB GLN 10 6.398 3.596 5.142 60 1HG GLN 10 1HG GLN 10 4.550 3.252 6.325 61 2HG GLN 10 2HG GLN 10 3.689 3.403 4.793 62 1HE2 GLN 10 1HE2 GLN 10 2.945 1.553 3.758 63 2HE2 GLN 10 2HE2 GLN 10 2.820 0.032 4.567 64 H HIS 11 H HIS 11 5.870 3.131 0.644 65 HA HIS 11 HA HIS 11 8.788 2.854 0.726 66 1HB HIS 11 1HB HIS 11 7.598 0.580 0.637 67 2HB HIS 11 2HB HIS 11 7.083 1.042 -0.982 68 HD1 HIS 11 HD1 HIS 11 8.773 0.829 -2.852 69 HD2 HIS 11 HD2 HIS 11 10.414 0.188 0.908 70 HE1 HIS 11 HE1 HIS 11 11.087 -0.059 -3.273 71 HE2 HIS 11 HE2 HIS 11 12.087 -0.357 -0.985 72 H CYS 12 H CYS 12 6.030 2.822 -1.522 73 HA CYS 12 HA CYS 12 7.492 4.406 -3.441 74 1HB CYS 12 1HB CYS 12 5.326 4.221 -4.704 75 2HB CYS 12 2HB CYS 12 6.121 2.696 -4.381 76 H THR 13 H THR 13 4.943 4.688 -1.098 77 HA THR 13 HA THR 13 4.134 6.489 0.022 78 HB THR 13 HB THR 13 6.445 7.516 -0.718 79 HG1 THR 13 HG1 THR 13 5.957 8.961 0.723 80 1HG2 THR 13 1HG2 THR 13 6.528 9.027 -2.340 81 2HG2 THR 13 2HG2 THR 13 5.020 9.780 -1.821 82 3HG2 THR 13 3HG2 THR 13 4.984 8.382 -2.895 83 H PHE 14 H PHE 14 2.753 5.218 -2.035 84 HA PHE 14 HA PHE 14 1.146 7.434 -3.106 85 1HB PHE 14 1HB PHE 14 2.271 6.134 -4.870 86 2HB PHE 14 2HB PHE 14 1.503 4.671 -4.278 87 HD1 PHE 14 HD1 PHE 14 -0.326 3.946 -5.443 88 HD2 PHE 14 HD2 PHE 14 0.504 8.118 -5.310 89 HE1 PHE 14 HE1 PHE 14 -2.256 4.372 -6.908 90 HE2 PHE 14 HE2 PHE 14 -1.426 8.552 -6.775 91 HZ PHE 14 HZ PHE 14 -2.808 6.678 -7.575 92 H MET 15 H MET 15 -1.142 6.835 -3.447 93 HA MET 15 HA MET 15 -2.162 5.540 -1.058 94 1HB MET 15 1HB MET 15 -3.005 7.738 -2.395 95 2HB MET 15 2HB MET 15 -4.047 6.525 -3.125 96 1HG MET 15 1HG MET 15 -5.036 5.980 -1.067 97 2HG MET 15 2HG MET 15 -3.787 6.823 -0.153 98 1HE MET 15 1HE MET 15 -6.948 6.716 -1.849 99 2HE MET 15 2HE MET 15 -6.668 7.994 -3.031 100 3HE MET 15 3HE MET 15 -7.702 8.295 -1.634 101 H ASN 16 H ASN 16 -3.605 3.822 -1.050 102 HA ASN 16 HA ASN 16 -3.820 2.301 -3.545 103 1HB ASN 16 1HB ASN 16 -1.867 1.743 -1.826 104 2HB ASN 16 2HB ASN 16 -3.157 0.839 -1.057 105 1HD2 ASN 16 1HD2 ASN 16 -1.258 1.223 -3.952 106 2HD2 ASN 16 2HD2 ASN 16 -1.563 -0.349 -4.600 107 H GLN 17 H GLN 17 -5.581 0.902 -3.676 108 HA GLN 17 HA GLN 17 -7.878 1.623 -2.222 109 1HB GLN 17 1HB GLN 17 -7.200 -0.381 -4.262 110 2HB GLN 17 2HB GLN 17 -8.658 -0.675 -3.335 111 1HG GLN 17 1HG GLN 17 -8.130 1.941 -4.705 112 2HG GLN 17 2HG GLN 17 -8.884 0.582 -5.536 113 1HE2 GLN 17 1HE2 GLN 17 -9.392 3.276 -3.615 114 2HE2 GLN 17 2HE2 GLN 17 -11.037 2.980 -3.181 115 HA PRO 18 HA PRO 18 -7.880 -1.104 1.244 116 1HB PRO 18 1HB PRO 18 -10.454 -1.864 1.485 117 2HB PRO 18 2HB PRO 18 -9.932 -0.202 1.777 118 1HG PRO 18 1HG PRO 18 -11.224 -1.382 -0.649 119 2HG PRO 18 2HG PRO 18 -11.550 0.167 0.153 120 1HD PRO 18 1HD PRO 18 -10.018 -0.072 -2.091 121 2HD PRO 18 2HD PRO 18 -9.796 1.215 -0.891 122 H GLY 19 H GLY 19 -8.439 -2.384 -1.821 123 1HA GLY 19 1HA GLY 19 -8.644 -5.131 -0.766 124 2HA GLY 19 2HA GLY 19 -9.090 -4.642 -2.394 125 H THR 20 H THR 20 -6.533 -2.936 -2.328 126 HA THR 20 HA THR 20 -4.796 -5.058 -3.335 127 HB THR 20 HB THR 20 -3.458 -2.806 -3.916 128 HG1 THR 20 HG1 THR 20 -6.171 -2.008 -4.017 129 1HG2 THR 20 1HG2 THR 20 -4.314 -4.492 -5.519 130 2HG2 THR 20 2HG2 THR 20 -4.394 -2.824 -6.088 131 3HG2 THR 20 3HG2 THR 20 -5.853 -3.632 -5.514 132 H GLY 21 H GLY 21 -4.563 -5.627 -0.906 133 1HA GLY 21 1HA GLY 21 -3.180 -4.072 0.911 134 2HA GLY 21 2HA GLY 21 -3.042 -5.819 0.816 135 H HIS 22 H HIS 22 -1.979 -5.717 -1.926 136 HA HIS 22 HA HIS 22 0.773 -5.482 -1.233 137 1HB HIS 22 1HB HIS 22 -0.670 -6.061 -3.818 138 2HB HIS 22 2HB HIS 22 1.082 -5.895 -3.756 139 HD1 HIS 22 HD1 HIS 22 -1.449 -7.850 -1.674 140 HD2 HIS 22 HD2 HIS 22 2.187 -8.344 -3.623 141 HE1 HIS 22 HE1 HIS 22 -0.790 -10.244 -1.272 142 HE2 HIS 22 HE2 HIS 22 1.455 -10.495 -2.389 143 H CYS 23 H CYS 23 0.285 -4.190 -4.362 144 HA CYS 23 HA CYS 23 -0.214 -1.532 -3.926 145 1HB CYS 23 1HB CYS 23 2.209 -2.168 -2.722 146 2HB CYS 23 2HB CYS 23 2.661 -1.418 -4.234 147 H GLU 24 H GLU 24 0.024 -0.258 -5.752 148 HA GLU 24 HA GLU 24 0.731 -1.750 -8.178 149 1HB GLU 24 1HB GLU 24 -1.375 0.133 -7.497 150 2HB GLU 24 2HB GLU 24 -0.507 0.635 -8.941 151 1HG GLU 24 1HG GLU 24 -1.266 -2.204 -8.836 152 2HG GLU 24 2HG GLU 24 -2.599 -1.055 -8.940 153 H MET 25 H MET 25 2.618 -0.401 -6.323 154 HA MET 25 HA MET 25 3.902 1.330 -8.313 155 1HB MET 25 1HB MET 25 3.158 1.978 -5.523 156 2HB MET 25 2HB MET 25 4.780 2.452 -6.011 157 1HG MET 25 1HG MET 25 3.320 4.295 -6.374 158 2HG MET 25 2HG MET 25 3.790 3.647 -7.945 159 1HE MET 25 1HE MET 25 0.563 4.221 -9.467 160 2HE MET 25 2HE MET 25 1.703 2.926 -9.833 161 3HE MET 25 3HE MET 25 2.298 4.514 -9.347 162 H CYS 26 H CYS 26 4.515 -0.133 -5.095 163 HA CYS 26 HA CYS 26 7.233 -0.704 -5.883 164 1HB CYS 26 1HB CYS 26 7.271 -1.744 -3.560 165 2HB CYS 26 2HB CYS 26 7.063 -0.008 -3.647 166 H SER 27 H SER 27 4.371 -2.570 -4.880 167 HA SER 27 HA SER 27 3.637 -4.578 -5.836 168 1HB SER 27 1HB SER 27 5.476 -4.317 -7.621 169 2HB SER 27 2HB SER 27 6.466 -5.304 -6.547 170 HG SER 27 HG SER 27 4.946 -6.265 -8.306 171 H LEU 28 H LEU 28 4.398 -3.817 -3.280 172 HA LEU 28 HA LEU 28 5.447 -6.303 -2.129 173 1HB LEU 28 1HB LEU 28 5.891 -3.448 -1.599 174 2HB LEU 28 2HB LEU 28 5.699 -4.435 -0.190 175 HG LEU 28 HG LEU 28 7.731 -4.893 -2.358 176 1HD1 LEU 28 1HD1 LEU 28 7.786 -3.338 0.159 177 2HD1 LEU 28 2HD1 LEU 28 8.644 -3.074 -1.361 178 3HD1 LEU 28 3HD1 LEU 28 9.214 -4.300 -0.231 179 1HD2 LEU 28 1HD2 LEU 28 7.638 -6.161 0.369 180 2HD2 LEU 28 2HD2 LEU 28 8.659 -6.589 -1.000 181 3HD2 LEU 28 3HD2 LEU 28 6.927 -6.910 -1.062 182 HA PRO 29 HA PRO 29 1.705 -6.668 0.198 183 1HB PRO 29 1HB PRO 29 2.506 -7.521 2.616 184 2HB PRO 29 2HB PRO 29 2.706 -8.510 1.165 185 1HG PRO 29 1HG PRO 29 4.719 -6.840 2.613 186 2HG PRO 29 2HG PRO 29 4.909 -8.446 1.890 187 1HD PRO 29 1HD PRO 29 5.713 -6.098 0.693 188 2HD PRO 29 2HD PRO 29 5.323 -7.582 -0.190 189 H ARG 30 H ARG 30 0.391 -5.884 1.974 190 HA ARG 30 HA ARG 30 0.857 -3.141 2.549 191 1HB ARG 30 1HB ARG 30 -1.355 -4.756 2.435 192 2HB ARG 30 2HB ARG 30 -1.186 -4.483 4.156 193 1HG ARG 30 1HG ARG 30 -1.278 -2.096 3.840 194 2HG ARG 30 2HG ARG 30 -1.314 -2.305 2.089 195 1HD ARG 30 1HD ARG 30 -3.540 -2.206 2.315 196 2HD ARG 30 2HD ARG 30 -3.404 -3.868 2.885 197 HE ARG 30 HE ARG 30 -3.084 -1.907 4.961 198 1HH1 ARG 30 1HH1 ARG 30 -5.389 -3.792 3.139 199 2HH1 ARG 30 2HH1 ARG 30 -6.609 -3.717 4.366 200 1HH2 ARG 30 1HH2 ARG 30 -4.687 -1.809 6.576 201 2HH2 ARG 30 2HH2 ARG 30 -6.211 -2.592 6.318 202 H THR 31 H THR 31 1.979 -5.910 3.955 203 HA THR 31 HA THR 31 2.874 -4.435 6.291 204 HB THR 31 HB THR 31 1.263 -6.982 6.396 205 HG1 THR 31 HG1 THR 31 -0.165 -5.773 7.383 206 1HG2 THR 31 1HG2 THR 31 1.684 -7.100 8.785 207 2HG2 THR 31 2HG2 THR 31 2.827 -5.762 8.662 208 3HG2 THR 31 3HG2 THR 31 3.180 -7.299 7.872 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -11.376 5.463 -7.212 2 2H GLY 1 2H GLY 1 -11.586 5.075 -5.579 3 3H GLY 1 3H GLY 1 -12.858 5.767 -6.454 4 1HA GLY 1 1HA GLY 1 -12.723 3.736 -7.953 5 2HA GLY 1 2HA GLY 1 -11.752 3.034 -6.668 6 H SER 2 H SER 2 -13.307 4.519 -4.609 7 HA SER 2 HA SER 2 -15.073 4.141 -3.227 8 1HB SER 2 1HB SER 2 -16.365 3.716 -5.916 9 2HB SER 2 2HB SER 2 -17.280 3.553 -4.418 10 HG SER 2 HG SER 2 -16.410 5.739 -3.941 11 H THR 3 H THR 3 -14.775 2.462 -1.915 12 HA THR 3 HA THR 3 -15.986 -0.029 -2.364 13 HB THR 3 HB THR 3 -14.293 -0.626 -3.885 14 HG1 THR 3 HG1 THR 3 -14.597 -2.134 -2.120 15 1HG2 THR 3 1HG2 THR 3 -12.683 1.101 -3.613 16 2HG2 THR 3 2HG2 THR 3 -11.871 -0.441 -3.347 17 3HG2 THR 3 3HG2 THR 3 -12.311 0.572 -1.973 18 H SER 4 H SER 4 -13.375 1.681 -0.712 19 HA SER 4 HA SER 4 -14.439 1.346 1.844 20 1HB SER 4 1HB SER 4 -13.108 -0.990 0.908 21 2HB SER 4 2HB SER 4 -12.102 -0.271 2.164 22 HG SER 4 HG SER 4 -14.063 -0.201 3.459 23 H ALA 5 H ALA 5 -12.148 1.275 3.419 24 HA ALA 5 HA ALA 5 -11.066 3.891 2.863 25 1HB ALA 5 1HB ALA 5 -10.503 1.973 5.121 26 2HB ALA 5 2HB ALA 5 -11.660 3.304 5.142 27 3HB ALA 5 3HB ALA 5 -9.932 3.638 5.026 28 H MET 6 H MET 6 -9.334 4.236 1.655 29 HA MET 6 HA MET 6 -7.626 2.119 0.794 30 1HB MET 6 1HB MET 6 -7.640 5.097 0.411 31 2HB MET 6 2HB MET 6 -6.301 4.122 -0.157 32 1HG MET 6 1HG MET 6 -7.459 3.930 -2.044 33 2HG MET 6 2HG MET 6 -8.450 2.771 -1.160 34 1HE MET 6 1HE MET 6 -8.063 5.517 -3.156 35 2HE MET 6 2HE MET 6 -9.068 6.862 -2.616 36 3HE MET 6 3HE MET 6 -9.746 5.624 -3.673 37 H TRP 7 H TRP 7 -5.128 2.772 0.823 38 HA TRP 7 HA TRP 7 -4.380 3.639 3.512 39 1HB TRP 7 1HB TRP 7 -2.766 1.758 3.716 40 2HB TRP 7 2HB TRP 7 -4.447 1.259 3.755 41 HD1 TRP 7 HD1 TRP 7 -5.376 0.017 1.457 42 HE1 TRP 7 HE1 TRP 7 -4.103 -1.478 -0.223 43 HE3 TRP 7 HE3 TRP 7 -0.585 1.388 2.616 44 HZ2 TRP 7 HZ2 TRP 7 -1.431 -2.006 -0.934 45 HZ3 TRP 7 HZ3 TRP 7 1.271 0.343 1.383 46 HH2 TRP 7 HH2 TRP 7 0.861 -1.312 -0.363 47 H ALA 8 H ALA 8 -2.080 4.057 3.754 48 HA ALA 8 HA ALA 8 -0.928 5.069 1.233 49 1HB ALA 8 1HB ALA 8 -1.504 6.825 2.837 50 2HB ALA 8 2HB ALA 8 0.240 6.736 2.585 51 3HB ALA 8 3HB ALA 8 -0.475 6.062 4.049 52 H CYS 9 H CYS 9 0.757 3.953 0.517 53 HA CYS 9 HA CYS 9 2.040 1.948 2.026 54 1HB CYS 9 1HB CYS 9 1.783 2.050 -0.499 55 2HB CYS 9 2HB CYS 9 3.113 3.205 -0.492 56 H GLN 10 H GLN 10 4.361 1.800 2.433 57 HA GLN 10 HA GLN 10 5.493 4.409 3.179 58 1HB GLN 10 1HB GLN 10 6.710 3.090 4.988 59 2HB GLN 10 2HB GLN 10 4.984 3.331 5.218 60 1HG GLN 10 1HG GLN 10 5.485 1.089 5.805 61 2HG GLN 10 2HG GLN 10 4.612 1.056 4.273 62 1HE2 GLN 10 1HE2 GLN 10 5.568 0.204 2.508 63 2HE2 GLN 10 2HE2 GLN 10 7.156 -0.479 2.494 64 H HIS 11 H HIS 11 5.849 3.085 0.658 65 HA HIS 11 HA HIS 11 8.763 2.759 0.737 66 1HB HIS 11 1HB HIS 11 7.357 0.531 0.558 67 2HB HIS 11 2HB HIS 11 7.167 1.031 -1.119 68 HD1 HIS 11 HD1 HIS 11 9.664 -0.289 1.298 69 HD2 HIS 11 HD2 HIS 11 9.527 0.950 -2.664 70 HE1 HIS 11 HE1 HIS 11 11.823 -1.079 0.271 71 HE2 HIS 11 HE2 HIS 11 11.672 -0.393 -2.151 72 H CYS 12 H CYS 12 6.009 2.795 -1.518 73 HA CYS 12 HA CYS 12 7.497 4.397 -3.405 74 1HB CYS 12 1HB CYS 12 5.329 4.251 -4.679 75 2HB CYS 12 2HB CYS 12 6.122 2.720 -4.389 76 H THR 13 H THR 13 4.937 4.661 -1.070 77 HA THR 13 HA THR 13 4.140 6.452 0.076 78 HB THR 13 HB THR 13 6.456 7.478 -0.652 79 HG1 THR 13 HG1 THR 13 5.865 9.314 0.496 80 1HG2 THR 13 1HG2 THR 13 6.544 9.012 -2.252 81 2HG2 THR 13 2HG2 THR 13 5.039 9.762 -1.723 82 3HG2 THR 13 3HG2 THR 13 4.998 8.379 -2.816 83 H PHE 14 H PHE 14 2.760 5.215 -2.009 84 HA PHE 14 HA PHE 14 1.149 7.451 -3.029 85 1HB PHE 14 1HB PHE 14 2.294 6.216 -4.824 86 2HB PHE 14 2HB PHE 14 1.537 4.728 -4.281 87 HD1 PHE 14 HD1 PHE 14 0.509 8.193 -5.217 88 HD2 PHE 14 HD2 PHE 14 -0.277 4.019 -5.480 89 HE1 PHE 14 HE1 PHE 14 -1.416 8.651 -6.681 90 HE2 PHE 14 HE2 PHE 14 -2.203 4.470 -6.943 91 HZ PHE 14 HZ PHE 14 -2.774 6.789 -7.546 92 H MET 15 H MET 15 -1.138 6.833 -3.406 93 HA MET 15 HA MET 15 -2.155 5.465 -1.055 94 1HB MET 15 1HB MET 15 -3.029 7.692 -2.221 95 2HB MET 15 2HB MET 15 -3.962 6.548 -3.176 96 1HG MET 15 1HG MET 15 -5.301 5.980 -1.448 97 2HG MET 15 2HG MET 15 -4.026 6.186 -0.248 98 1HE MET 15 1HE MET 15 -7.518 8.592 -0.771 99 2HE MET 15 2HE MET 15 -7.058 7.092 -1.577 100 3HE MET 15 3HE MET 15 -6.787 8.642 -2.375 101 H ASN 16 H ASN 16 -3.626 3.752 -1.118 102 HA ASN 16 HA ASN 16 -3.748 2.270 -3.642 103 1HB ASN 16 1HB ASN 16 -1.861 1.694 -1.848 104 2HB ASN 16 2HB ASN 16 -3.177 0.763 -1.161 105 1HD2 ASN 16 1HD2 ASN 16 -1.263 1.287 -4.043 106 2HD2 ASN 16 2HD2 ASN 16 -1.480 -0.293 -4.708 107 H GLN 17 H GLN 17 -5.411 0.683 -3.748 108 HA GLN 17 HA GLN 17 -7.825 1.433 -2.493 109 1HB GLN 17 1HB GLN 17 -7.670 -1.266 -3.637 110 2HB GLN 17 2HB GLN 17 -8.860 -0.013 -3.892 111 1HG GLN 17 1HG GLN 17 -6.189 -0.325 -5.219 112 2HG GLN 17 2HG GLN 17 -7.789 -0.344 -5.958 113 1HE2 GLN 17 1HE2 GLN 17 -8.949 1.851 -4.820 114 2HE2 GLN 17 2HE2 GLN 17 -8.121 3.279 -5.326 115 HA PRO 18 HA PRO 18 -7.911 -0.949 1.205 116 1HB PRO 18 1HB PRO 18 -10.495 -1.732 1.375 117 2HB PRO 18 2HB PRO 18 -9.992 -0.053 1.601 118 1HG PRO 18 1HG PRO 18 -11.152 -1.371 -0.823 119 2HG PRO 18 2HG PRO 18 -11.540 0.208 -0.115 120 1HD PRO 18 1HD PRO 18 -9.911 -0.074 -2.264 121 2HD PRO 18 2HD PRO 18 -9.714 1.229 -1.076 122 H GLY 19 H GLY 19 -8.475 -2.468 -1.785 123 1HA GLY 19 1HA GLY 19 -8.542 -5.130 -0.511 124 2HA GLY 19 2HA GLY 19 -9.092 -4.787 -2.145 125 H THR 20 H THR 20 -6.561 -2.980 -2.242 126 HA THR 20 HA THR 20 -4.829 -5.079 -3.299 127 HB THR 20 HB THR 20 -3.527 -2.885 -3.980 128 HG1 THR 20 HG1 THR 20 -4.762 -1.111 -4.062 129 1HG2 THR 20 1HG2 THR 20 -6.084 -3.199 -5.439 130 2HG2 THR 20 2HG2 THR 20 -4.948 -4.547 -5.406 131 3HG2 THR 20 3HG2 THR 20 -4.446 -2.985 -6.054 132 H GLY 21 H GLY 21 -4.622 -5.555 -0.792 133 1HA GLY 21 1HA GLY 21 -3.168 -4.028 0.956 134 2HA GLY 21 2HA GLY 21 -3.034 -5.774 0.868 135 H HIS 22 H HIS 22 -2.001 -5.700 -1.885 136 HA HIS 22 HA HIS 22 0.758 -5.456 -1.225 137 1HB HIS 22 1HB HIS 22 -0.717 -6.057 -3.784 138 2HB HIS 22 2HB HIS 22 1.034 -5.872 -3.756 139 HD1 HIS 22 HD1 HIS 22 -1.457 -7.852 -1.649 140 HD2 HIS 22 HD2 HIS 22 2.185 -8.297 -3.599 141 HE1 HIS 22 HE1 HIS 22 -0.761 -10.234 -1.238 142 HE2 HIS 22 HE2 HIS 22 1.403 -10.504 -2.501 143 H CYS 23 H CYS 23 0.249 -4.178 -4.355 144 HA CYS 23 HA CYS 23 -0.253 -1.517 -3.914 145 1HB CYS 23 1HB CYS 23 2.190 -2.153 -2.749 146 2HB CYS 23 2HB CYS 23 2.618 -1.403 -4.268 147 H GLU 24 H GLU 24 0.140 -0.173 -5.725 148 HA GLU 24 HA GLU 24 0.718 -1.694 -8.172 149 1HB GLU 24 1HB GLU 24 -1.538 -0.313 -7.584 150 2HB GLU 24 2HB GLU 24 -0.603 0.947 -8.377 151 1HG GLU 24 1HG GLU 24 -0.254 -0.715 -10.265 152 2HG GLU 24 2HG GLU 24 -1.513 -1.681 -9.498 153 H MET 25 H MET 25 2.621 -0.323 -6.306 154 HA MET 25 HA MET 25 3.931 1.350 -8.330 155 1HB MET 25 1HB MET 25 3.166 2.063 -5.574 156 2HB MET 25 2HB MET 25 4.827 2.453 -6.000 157 1HG MET 25 1HG MET 25 3.429 4.352 -6.421 158 2HG MET 25 2HG MET 25 4.007 3.703 -7.954 159 1HE MET 25 1HE MET 25 2.855 4.225 -9.570 160 2HE MET 25 2HE MET 25 1.308 5.044 -9.358 161 3HE MET 25 3HE MET 25 1.359 3.423 -10.049 162 H CYS 26 H CYS 26 4.513 -0.124 -5.112 163 HA CYS 26 HA CYS 26 7.232 -0.721 -5.884 164 1HB CYS 26 1HB CYS 26 7.244 -1.771 -3.566 165 2HB CYS 26 2HB CYS 26 7.048 -0.034 -3.645 166 H SER 27 H SER 27 4.332 -2.555 -4.928 167 HA SER 27 HA SER 27 3.582 -4.553 -5.880 168 1HB SER 27 1HB SER 27 5.411 -4.287 -7.677 169 2HB SER 27 2HB SER 27 6.399 -5.297 -6.621 170 HG SER 27 HG SER 27 4.099 -5.943 -8.075 171 H LEU 28 H LEU 28 4.379 -3.815 -3.327 172 HA LEU 28 HA LEU 28 5.396 -6.324 -2.200 173 1HB LEU 28 1HB LEU 28 5.928 -3.482 -1.687 174 2HB LEU 28 2HB LEU 28 5.732 -4.458 -0.270 175 HG LEU 28 HG LEU 28 7.712 -4.971 -2.474 176 1HD1 LEU 28 1HD1 LEU 28 7.881 -3.498 0.107 177 2HD1 LEU 28 2HD1 LEU 28 8.626 -3.139 -1.453 178 3HD1 LEU 28 3HD1 LEU 28 9.281 -4.422 -0.440 179 1HD2 LEU 28 1HD2 LEU 28 7.650 -6.253 0.247 180 2HD2 LEU 28 2HD2 LEU 28 8.610 -6.714 -1.158 181 3HD2 LEU 28 3HD2 LEU 28 6.864 -6.969 -1.160 182 HA PRO 29 HA PRO 29 1.704 -6.606 0.216 183 1HB PRO 29 1HB PRO 29 2.539 -7.336 2.670 184 2HB PRO 29 2HB PRO 29 2.691 -8.403 1.270 185 1HG PRO 29 1HG PRO 29 4.760 -6.695 2.585 186 2HG PRO 29 2HG PRO 29 4.909 -8.338 1.937 187 1HD PRO 29 1HD PRO 29 5.732 -6.077 0.611 188 2HD PRO 29 2HD PRO 29 5.276 -7.586 -0.196 189 H ARG 30 H ARG 30 0.437 -5.767 2.031 190 HA ARG 30 HA ARG 30 0.869 -2.988 2.422 191 1HB ARG 30 1HB ARG 30 -1.301 -4.679 2.510 192 2HB ARG 30 2HB ARG 30 -1.079 -4.243 4.193 193 1HG ARG 30 1HG ARG 30 -0.855 -1.829 2.883 194 2HG ARG 30 2HG ARG 30 -2.119 -2.675 1.987 195 1HD ARG 30 1HD ARG 30 -3.137 -1.409 3.757 196 2HD ARG 30 2HD ARG 30 -3.272 -3.127 4.133 197 HE ARG 30 HE ARG 30 -0.969 -1.867 5.302 198 1HH1 ARG 30 1HH1 ARG 30 -4.365 -2.556 5.708 199 2HH1 ARG 30 2HH1 ARG 30 -4.314 -2.423 7.433 200 1HH2 ARG 30 1HH2 ARG 30 -0.898 -1.694 7.571 201 2HH2 ARG 30 2HH2 ARG 30 -2.346 -1.934 8.492 202 H THR 31 H THR 31 2.133 -5.632 3.935 203 HA THR 31 HA THR 31 3.058 -4.002 6.153 204 HB THR 31 HB THR 31 1.553 -6.598 6.456 205 HG1 THR 31 HG1 THR 31 1.238 -4.094 7.744 206 1HG2 THR 31 1HG2 THR 31 3.451 -5.309 8.368 207 2HG2 THR 31 2HG2 THR 31 3.242 -7.015 7.973 208 3HG2 THR 31 3HG2 THR 31 2.039 -6.185 8.960 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -21.466 0.402 2.267 2 2H GLY 1 2H GLY 1 -19.873 0.692 1.778 3 3H GLY 1 3H GLY 1 -20.298 -0.811 2.426 4 1HA GLY 1 1HA GLY 1 -21.613 -1.371 0.551 5 2HA GLY 1 2HA GLY 1 -21.463 0.262 -0.078 6 H SER 2 H SER 2 -19.731 0.795 -1.318 7 HA SER 2 HA SER 2 -17.858 -1.389 -1.919 8 1HB SER 2 1HB SER 2 -17.503 -0.280 -4.081 9 2HB SER 2 2HB SER 2 -19.215 -0.612 -3.821 10 HG SER 2 HG SER 2 -19.417 1.588 -3.129 11 H THR 3 H THR 3 -15.700 -1.127 -1.704 12 HA THR 3 HA THR 3 -13.715 -0.247 -1.024 13 HB THR 3 HB THR 3 -14.716 2.505 -1.677 14 HG1 THR 3 HG1 THR 3 -14.172 0.409 -3.491 15 1HG2 THR 3 1HG2 THR 3 -12.121 1.273 -2.504 16 2HG2 THR 3 2HG2 THR 3 -12.333 1.987 -0.905 17 3HG2 THR 3 3HG2 THR 3 -12.548 2.977 -2.348 18 H SER 4 H SER 4 -13.378 -0.351 1.095 19 HA SER 4 HA SER 4 -15.034 1.099 2.963 20 1HB SER 4 1HB SER 4 -12.952 -1.013 3.132 21 2HB SER 4 2HB SER 4 -13.138 0.030 4.542 22 HG SER 4 HG SER 4 -14.707 -1.989 3.707 23 H ALA 5 H ALA 5 -11.484 0.842 2.791 24 HA ALA 5 HA ALA 5 -11.167 3.704 2.717 25 1HB ALA 5 1HB ALA 5 -10.009 3.921 4.840 26 2HB ALA 5 2HB ALA 5 -10.293 2.217 5.191 27 3HB ALA 5 3HB ALA 5 -11.653 3.335 5.096 28 H MET 6 H MET 6 -9.361 4.174 1.639 29 HA MET 6 HA MET 6 -7.610 2.101 0.764 30 1HB MET 6 1HB MET 6 -7.669 5.084 0.420 31 2HB MET 6 2HB MET 6 -6.322 4.134 -0.168 32 1HG MET 6 1HG MET 6 -7.464 3.865 -2.045 33 2HG MET 6 2HG MET 6 -8.537 2.800 -1.138 34 1HE MET 6 1HE MET 6 -11.738 4.243 -1.028 35 2HE MET 6 2HE MET 6 -10.878 4.694 0.444 36 3HE MET 6 3HE MET 6 -10.549 3.143 -0.329 37 H TRP 7 H TRP 7 -5.118 2.796 0.802 38 HA TRP 7 HA TRP 7 -4.385 3.665 3.492 39 1HB TRP 7 1HB TRP 7 -2.761 1.790 3.708 40 2HB TRP 7 2HB TRP 7 -4.441 1.288 3.754 41 HD1 TRP 7 HD1 TRP 7 -5.377 0.043 1.457 42 HE1 TRP 7 HE1 TRP 7 -4.108 -1.466 -0.212 43 HE3 TRP 7 HE3 TRP 7 -0.580 1.397 2.618 44 HZ2 TRP 7 HZ2 TRP 7 -1.438 -2.013 -0.915 45 HZ3 TRP 7 HZ3 TRP 7 1.272 0.336 1.393 46 HH2 TRP 7 HH2 TRP 7 0.857 -1.326 -0.346 47 H ALA 8 H ALA 8 -2.081 4.084 3.740 48 HA ALA 8 HA ALA 8 -0.924 5.088 1.218 49 1HB ALA 8 1HB ALA 8 0.225 6.771 2.549 50 2HB ALA 8 2HB ALA 8 -0.454 6.090 4.028 51 3HB ALA 8 3HB ALA 8 -1.514 6.841 2.835 52 H CYS 9 H CYS 9 0.764 3.971 0.510 53 HA CYS 9 HA CYS 9 2.040 1.968 2.029 54 1HB CYS 9 1HB CYS 9 1.791 2.092 -0.505 55 2HB CYS 9 2HB CYS 9 3.151 3.211 -0.475 56 H GLN 10 H GLN 10 4.376 1.824 2.421 57 HA GLN 10 HA GLN 10 5.494 4.434 3.183 58 1HB GLN 10 1HB GLN 10 6.171 1.875 4.610 59 2HB GLN 10 2HB GLN 10 6.378 3.531 5.165 60 1HG GLN 10 1HG GLN 10 4.522 3.200 6.338 61 2HG GLN 10 2HG GLN 10 3.668 3.359 4.804 62 1HE2 GLN 10 1HE2 GLN 10 2.920 1.514 3.760 63 2HE2 GLN 10 2HE2 GLN 10 2.779 -0.006 4.567 64 H HIS 11 H HIS 11 5.861 3.086 0.664 65 HA HIS 11 HA HIS 11 8.778 2.784 0.755 66 1HB HIS 11 1HB HIS 11 7.517 0.528 0.635 67 2HB HIS 11 2HB HIS 11 7.096 1.007 -1.006 68 HD1 HIS 11 HD1 HIS 11 8.868 0.761 -2.786 69 HD2 HIS 11 HD2 HIS 11 10.303 0.075 1.052 70 HE1 HIS 11 HE1 HIS 11 11.182 -0.179 -3.091 71 HE2 HIS 11 HE2 HIS 11 12.071 -0.505 -0.752 72 H CYS 12 H CYS 12 6.025 2.791 -1.501 73 HA CYS 12 HA CYS 12 7.507 4.374 -3.407 74 1HB CYS 12 1HB CYS 12 5.340 4.215 -4.676 75 2HB CYS 12 2HB CYS 12 6.125 2.682 -4.362 76 H THR 13 H THR 13 4.950 4.661 -1.071 77 HA THR 13 HA THR 13 4.155 6.461 0.061 78 HB THR 13 HB THR 13 6.475 7.475 -0.669 79 HG1 THR 13 HG1 THR 13 5.995 8.913 0.782 80 1HG2 THR 13 1HG2 THR 13 6.571 8.997 -2.279 81 2HG2 THR 13 2HG2 THR 13 5.068 9.757 -1.757 82 3HG2 THR 13 3HG2 THR 13 5.022 8.368 -2.841 83 H PHE 14 H PHE 14 2.773 5.216 -2.018 84 HA PHE 14 HA PHE 14 1.170 7.450 -3.052 85 1HB PHE 14 1HB PHE 14 2.315 6.202 -4.840 86 2HB PHE 14 2HB PHE 14 1.550 4.720 -4.290 87 HD1 PHE 14 HD1 PHE 14 -0.269 4.013 -5.481 88 HD2 PHE 14 HD2 PHE 14 0.541 8.185 -5.250 89 HE1 PHE 14 HE1 PHE 14 -2.191 4.464 -6.950 90 HE2 PHE 14 HE2 PHE 14 -1.379 8.643 -6.718 91 HZ PHE 14 HZ PHE 14 -2.748 6.782 -7.570 92 H MET 15 H MET 15 -1.118 6.833 -3.433 93 HA MET 15 HA MET 15 -2.143 5.486 -1.072 94 1HB MET 15 1HB MET 15 -3.004 7.699 -2.340 95 2HB MET 15 2HB MET 15 -3.994 6.505 -3.167 96 1HG MET 15 1HG MET 15 -4.749 5.703 -0.923 97 2HG MET 15 2HG MET 15 -3.907 7.083 -0.220 98 1HE MET 15 1HE MET 15 -7.670 7.219 -2.854 99 2HE MET 15 2HE MET 15 -6.761 5.781 -2.390 100 3HE MET 15 3HE MET 15 -6.110 6.883 -3.605 101 H ASN 16 H ASN 16 -3.608 3.775 -1.117 102 HA ASN 16 HA ASN 16 -3.741 2.269 -3.626 103 1HB ASN 16 1HB ASN 16 -1.852 1.709 -1.824 104 2HB ASN 16 2HB ASN 16 -3.169 0.783 -1.135 105 1HD2 ASN 16 1HD2 ASN 16 -1.274 1.299 -4.034 106 2HD2 ASN 16 2HD2 ASN 16 -1.482 -0.287 -4.683 107 H GLN 17 H GLN 17 -5.435 0.727 -3.737 108 HA GLN 17 HA GLN 17 -7.822 1.495 -2.458 109 1HB GLN 17 1HB GLN 17 -7.007 -0.654 -4.299 110 2HB GLN 17 2HB GLN 17 -8.520 -0.871 -3.444 111 1HG GLN 17 1HG GLN 17 -7.891 1.616 -5.000 112 2HG GLN 17 2HG GLN 17 -8.620 0.193 -5.744 113 1HE2 GLN 17 1HE2 GLN 17 -9.156 3.016 -3.957 114 2HE2 GLN 17 2HE2 GLN 17 -10.838 2.787 -3.638 115 HA PRO 18 HA PRO 18 -7.947 -0.950 1.208 116 1HB PRO 18 1HB PRO 18 -10.527 -1.732 1.363 117 2HB PRO 18 2HB PRO 18 -10.032 -0.051 1.587 118 1HG PRO 18 1HG PRO 18 -11.175 -1.381 -0.839 119 2HG PRO 18 2HG PRO 18 -11.573 0.199 -0.138 120 1HD PRO 18 1HD PRO 18 -9.925 -0.097 -2.277 121 2HD PRO 18 2HD PRO 18 -9.755 1.225 -1.106 122 H GLY 19 H GLY 19 -8.475 -2.444 -1.799 123 1HA GLY 19 1HA GLY 19 -8.549 -5.116 -0.547 124 2HA GLY 19 2HA GLY 19 -9.103 -4.762 -2.176 125 H THR 20 H THR 20 -6.561 -2.952 -2.243 126 HA THR 20 HA THR 20 -4.839 -5.042 -3.331 127 HB THR 20 HB THR 20 -3.522 -2.851 -3.983 128 HG1 THR 20 HG1 THR 20 -5.016 -1.130 -4.283 129 1HG2 THR 20 1HG2 THR 20 -6.077 -3.067 -5.452 130 2HG2 THR 20 2HG2 THR 20 -5.015 -4.475 -5.414 131 3HG2 THR 20 3HG2 THR 20 -4.424 -2.941 -6.053 132 H GLY 21 H GLY 21 -4.658 -5.535 -0.812 133 1HA GLY 21 1HA GLY 21 -3.190 -4.050 0.952 134 2HA GLY 21 2HA GLY 21 -3.069 -5.796 0.842 135 H HIS 22 H HIS 22 -2.021 -5.693 -1.906 136 HA HIS 22 HA HIS 22 0.738 -5.462 -1.227 137 1HB HIS 22 1HB HIS 22 -0.726 -6.062 -3.793 138 2HB HIS 22 2HB HIS 22 1.024 -5.874 -3.758 139 HD1 HIS 22 HD1 HIS 22 -1.478 -7.865 -1.673 140 HD2 HIS 22 HD2 HIS 22 2.187 -8.294 -3.585 141 HE1 HIS 22 HE1 HIS 22 -0.777 -10.244 -1.257 142 HE2 HIS 22 HE2 HIS 22 1.401 -10.506 -2.497 143 H CYS 23 H CYS 23 0.245 -4.181 -4.358 144 HA CYS 23 HA CYS 23 -0.259 -1.521 -3.921 145 1HB CYS 23 1HB CYS 23 2.172 -2.153 -2.734 146 2HB CYS 23 2HB CYS 23 2.617 -1.414 -4.253 147 H GLU 24 H GLU 24 0.114 -0.188 -5.734 148 HA GLU 24 HA GLU 24 0.729 -1.707 -8.173 149 1HB GLU 24 1HB GLU 24 -1.347 0.204 -7.475 150 2HB GLU 24 2HB GLU 24 -0.483 0.694 -8.925 151 1HG GLU 24 1HG GLU 24 -1.121 -1.199 -10.101 152 2HG GLU 24 2HG GLU 24 -1.504 -2.100 -8.635 153 H MET 25 H MET 25 2.620 -0.344 -6.307 154 HA MET 25 HA MET 25 3.931 1.347 -8.316 155 1HB MET 25 1HB MET 25 3.185 2.028 -5.535 156 2HB MET 25 2HB MET 25 4.819 2.470 -6.012 157 1HG MET 25 1HG MET 25 2.703 3.187 -7.922 158 2HG MET 25 2HG MET 25 2.657 4.030 -6.375 159 1HE MET 25 1HE MET 25 4.866 3.518 -9.730 160 2HE MET 25 2HE MET 25 5.524 2.551 -8.417 161 3HE MET 25 3HE MET 25 6.420 3.947 -9.018 162 H CYS 26 H CYS 26 4.505 -0.134 -5.098 163 HA CYS 26 HA CYS 26 7.228 -0.722 -5.861 164 1HB CYS 26 1HB CYS 26 7.233 -1.781 -3.546 165 2HB CYS 26 2HB CYS 26 7.038 -0.043 -3.623 166 H SER 27 H SER 27 4.330 -2.564 -4.920 167 HA SER 27 HA SER 27 3.585 -4.559 -5.883 168 1HB SER 27 1HB SER 27 5.424 -4.290 -7.669 169 2HB SER 27 2HB SER 27 6.408 -5.299 -6.610 170 HG SER 27 HG SER 27 5.307 -6.566 -8.137 171 H LEU 28 H LEU 28 4.371 -3.827 -3.323 172 HA LEU 28 HA LEU 28 5.372 -6.343 -2.198 173 1HB LEU 28 1HB LEU 28 5.928 -3.505 -1.683 174 2HB LEU 28 2HB LEU 28 5.729 -4.481 -0.267 175 HG LEU 28 HG LEU 28 7.697 -5.014 -2.475 176 1HD1 LEU 28 1HD1 LEU 28 9.239 -4.485 -0.361 177 2HD1 LEU 28 2HD1 LEU 28 7.859 -3.460 0.035 178 3HD1 LEU 28 3HD1 LEU 28 8.707 -3.240 -1.494 179 1HD2 LEU 28 1HD2 LEU 28 6.842 -7.000 -1.153 180 2HD2 LEU 28 2HD2 LEU 28 7.630 -6.282 0.251 181 3HD2 LEU 28 3HD2 LEU 28 8.586 -6.756 -1.153 182 HA PRO 29 HA PRO 29 1.679 -6.587 0.220 183 1HB PRO 29 1HB PRO 29 2.509 -7.336 2.671 184 2HB PRO 29 2HB PRO 29 2.649 -8.399 1.267 185 1HG PRO 29 1HG PRO 29 4.737 -6.718 2.586 186 2HG PRO 29 2HG PRO 29 4.868 -8.361 1.932 187 1HD PRO 29 1HD PRO 29 5.713 -6.102 0.613 188 2HD PRO 29 2HD PRO 29 5.242 -7.604 -0.198 189 H ARG 30 H ARG 30 0.428 -5.741 2.047 190 HA ARG 30 HA ARG 30 0.898 -2.969 2.446 191 1HB ARG 30 1HB ARG 30 -1.290 -4.649 2.535 192 2HB ARG 30 2HB ARG 30 -1.070 -4.189 4.212 193 1HG ARG 30 1HG ARG 30 -0.815 -1.811 2.788 194 2HG ARG 30 2HG ARG 30 -2.151 -2.669 2.018 195 1HD ARG 30 1HD ARG 30 -2.158 -2.689 4.961 196 2HD ARG 30 2HD ARG 30 -2.405 -1.111 4.215 197 HE ARG 30 HE ARG 30 -4.074 -2.975 2.953 198 1HH1 ARG 30 1HH1 ARG 30 -3.711 -1.386 6.039 199 2HH1 ARG 30 2HH1 ARG 30 -5.400 -1.457 6.415 200 1HH2 ARG 30 1HH2 ARG 30 -6.296 -3.070 3.446 201 2HH2 ARG 30 2HH2 ARG 30 -6.868 -2.413 4.943 202 H THR 31 H THR 31 2.160 -5.622 3.929 203 HA THR 31 HA THR 31 3.039 -4.017 6.187 204 HB THR 31 HB THR 31 0.939 -5.531 6.663 205 HG1 THR 31 HG1 THR 31 1.662 -5.695 8.801 206 1HG2 THR 31 1HG2 THR 31 2.989 -7.532 7.464 207 2HG2 THR 31 2HG2 THR 31 2.308 -7.589 5.839 208 3HG2 THR 31 3HG2 THR 31 1.250 -7.719 7.244 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -18.510 4.006 -7.585 2 2H GLY 1 2H GLY 1 -17.341 3.314 -6.577 3 3H GLY 1 3H GLY 1 -17.844 4.908 -6.318 4 1HA GLY 1 1HA GLY 1 -19.894 4.293 -5.472 5 2HA GLY 1 2HA GLY 1 -19.786 2.697 -6.199 6 H SER 2 H SER 2 -19.752 1.247 -4.614 7 HA SER 2 HA SER 2 -18.916 1.719 -1.985 8 1HB SER 2 1HB SER 2 -18.820 -0.860 -1.895 9 2HB SER 2 2HB SER 2 -20.368 -0.108 -2.281 10 HG SER 2 HG SER 2 -20.154 -0.698 -4.365 11 H THR 3 H THR 3 -16.978 1.785 -1.055 12 HA THR 3 HA THR 3 -14.765 0.214 -1.958 13 HB THR 3 HB THR 3 -14.547 3.213 -2.269 14 HG1 THR 3 HG1 THR 3 -14.561 1.232 -4.293 15 1HG2 THR 3 1HG2 THR 3 -12.472 2.409 -3.608 16 2HG2 THR 3 2HG2 THR 3 -12.596 0.987 -2.573 17 3HG2 THR 3 3HG2 THR 3 -12.384 2.584 -1.856 18 H SER 4 H SER 4 -13.816 -0.391 -0.138 19 HA SER 4 HA SER 4 -14.299 0.761 2.365 20 1HB SER 4 1HB SER 4 -12.666 -1.404 1.295 21 2HB SER 4 2HB SER 4 -11.883 -0.591 2.649 22 HG SER 4 HG SER 4 -13.468 -1.209 3.965 23 H ALA 5 H ALA 5 -11.975 1.087 3.710 24 HA ALA 5 HA ALA 5 -11.136 3.695 2.806 25 1HB ALA 5 1HB ALA 5 -10.310 2.101 5.230 26 2HB ALA 5 2HB ALA 5 -11.581 3.322 5.167 27 3HB ALA 5 3HB ALA 5 -9.898 3.787 4.921 28 H MET 6 H MET 6 -9.344 4.173 1.709 29 HA MET 6 HA MET 6 -7.617 2.109 0.763 30 1HB MET 6 1HB MET 6 -7.654 5.100 0.487 31 2HB MET 6 2HB MET 6 -6.338 4.143 -0.158 32 1HG MET 6 1HG MET 6 -7.519 3.853 -2.001 33 2HG MET 6 2HG MET 6 -8.669 2.903 -1.064 34 1HE MET 6 1HE MET 6 -8.269 6.767 -2.682 35 2HE MET 6 2HE MET 6 -9.667 6.165 -3.573 36 3HE MET 6 3HE MET 6 -8.201 5.190 -3.468 37 H TRP 7 H TRP 7 -5.122 2.775 0.784 38 HA TRP 7 HA TRP 7 -4.360 3.606 3.477 39 1HB TRP 7 1HB TRP 7 -2.755 1.725 3.679 40 2HB TRP 7 2HB TRP 7 -4.434 1.226 3.707 41 HD1 TRP 7 HD1 TRP 7 -5.348 -0.022 1.400 42 HE1 TRP 7 HE1 TRP 7 -4.056 -1.526 -0.260 43 HE3 TRP 7 HE3 TRP 7 -0.569 1.361 2.596 44 HZ2 TRP 7 HZ2 TRP 7 -1.380 -2.057 -0.942 45 HZ3 TRP 7 HZ3 TRP 7 1.300 0.310 1.387 46 HH2 TRP 7 HH2 TRP 7 0.906 -1.357 -0.353 47 H ALA 8 H ALA 8 -2.079 4.040 3.724 48 HA ALA 8 HA ALA 8 -0.913 5.054 1.211 49 1HB ALA 8 1HB ALA 8 -1.514 6.808 2.811 50 2HB ALA 8 2HB ALA 8 0.231 6.733 2.565 51 3HB ALA 8 3HB ALA 8 -0.483 6.054 4.028 52 H CYS 9 H CYS 9 0.779 3.947 0.506 53 HA CYS 9 HA CYS 9 2.070 1.955 2.028 54 1HB CYS 9 1HB CYS 9 1.819 2.065 -0.502 55 2HB CYS 9 2HB CYS 9 3.161 3.205 -0.483 56 H GLN 10 H GLN 10 4.405 1.830 2.420 57 HA GLN 10 HA GLN 10 5.509 4.451 3.166 58 1HB GLN 10 1HB GLN 10 6.686 3.251 5.022 59 2HB GLN 10 2HB GLN 10 4.935 3.283 5.184 60 1HG GLN 10 1HG GLN 10 6.086 0.939 3.809 61 2HG GLN 10 2HG GLN 10 6.410 1.084 5.537 62 1HE2 GLN 10 1HE2 GLN 10 4.275 -0.026 3.246 63 2HE2 GLN 10 2HE2 GLN 10 2.889 -0.256 4.252 64 H HIS 11 H HIS 11 5.879 3.110 0.652 65 HA HIS 11 HA HIS 11 8.796 2.822 0.733 66 1HB HIS 11 1HB HIS 11 7.422 0.572 0.579 67 2HB HIS 11 2HB HIS 11 7.224 1.052 -1.103 68 HD1 HIS 11 HD1 HIS 11 9.811 -0.061 1.362 69 HD2 HIS 11 HD2 HIS 11 9.511 0.839 -2.684 70 HE1 HIS 11 HE1 HIS 11 11.961 -0.868 0.332 71 HE2 HIS 11 HE2 HIS 11 11.788 -0.235 -2.101 72 H CYS 12 H CYS 12 6.043 2.794 -1.523 73 HA CYS 12 HA CYS 12 7.505 4.386 -3.434 74 1HB CYS 12 1HB CYS 12 5.338 4.207 -4.697 75 2HB CYS 12 2HB CYS 12 6.128 2.679 -4.375 76 H THR 13 H THR 13 4.959 4.662 -1.087 77 HA THR 13 HA THR 13 4.150 6.456 0.041 78 HB THR 13 HB THR 13 6.464 7.484 -0.690 79 HG1 THR 13 HG1 THR 13 5.852 8.583 0.962 80 1HG2 THR 13 1HG2 THR 13 6.552 9.002 -2.304 81 2HG2 THR 13 2HG2 THR 13 5.046 9.756 -1.784 82 3HG2 THR 13 3HG2 THR 13 5.007 8.364 -2.865 83 H PHE 14 H PHE 14 2.766 5.199 -2.020 84 HA PHE 14 HA PHE 14 1.165 7.422 -3.082 85 1HB PHE 14 1HB PHE 14 2.292 6.124 -4.850 86 2HB PHE 14 2HB PHE 14 1.509 4.665 -4.269 87 HD1 PHE 14 HD1 PHE 14 0.531 8.128 -5.266 88 HD2 PHE 14 HD2 PHE 14 -0.308 3.961 -5.462 89 HE1 PHE 14 HE1 PHE 14 -1.391 8.588 -6.733 90 HE2 PHE 14 HE2 PHE 14 -2.230 4.413 -6.930 91 HZ PHE 14 HZ PHE 14 -2.774 6.729 -7.569 92 H MET 15 H MET 15 -1.122 6.831 -3.427 93 HA MET 15 HA MET 15 -2.148 5.517 -1.050 94 1HB MET 15 1HB MET 15 -2.987 7.736 -2.315 95 2HB MET 15 2HB MET 15 -3.996 6.555 -3.141 96 1HG MET 15 1HG MET 15 -5.249 6.133 -1.310 97 2HG MET 15 2HG MET 15 -3.908 6.388 -0.196 98 1HE MET 15 1HE MET 15 -5.171 8.664 1.660 99 2HE MET 15 2HE MET 15 -5.789 7.102 1.125 100 3HE MET 15 3HE MET 15 -6.767 8.555 0.919 101 H ASN 16 H ASN 16 -3.627 3.813 -1.075 102 HA ASN 16 HA ASN 16 -3.804 2.313 -3.585 103 1HB ASN 16 1HB ASN 16 -1.888 1.725 -1.839 104 2HB ASN 16 2HB ASN 16 -3.196 0.827 -1.095 105 1HD2 ASN 16 1HD2 ASN 16 -1.234 1.202 -3.945 106 2HD2 ASN 16 2HD2 ASN 16 -1.551 -0.359 -4.613 107 H GLN 17 H GLN 17 -5.552 0.892 -3.748 108 HA GLN 17 HA GLN 17 -7.893 1.629 -2.380 109 1HB GLN 17 1HB GLN 17 -7.143 -0.441 -4.335 110 2HB GLN 17 2HB GLN 17 -8.651 -0.669 -3.472 111 1HG GLN 17 1HG GLN 17 -7.949 1.839 -4.970 112 2HG GLN 17 2HG GLN 17 -8.821 0.488 -5.687 113 1HE2 GLN 17 1HE2 GLN 17 -8.973 3.182 -3.549 114 2HE2 GLN 17 2HE2 GLN 17 -10.670 3.121 -3.242 115 HA PRO 18 HA PRO 18 -8.006 -1.006 1.151 116 1HB PRO 18 1HB PRO 18 -10.590 -1.753 1.318 117 2HB PRO 18 2HB PRO 18 -10.069 -0.087 1.599 118 1HG PRO 18 1HG PRO 18 -11.271 -1.306 -0.858 119 2HG PRO 18 2HG PRO 18 -11.636 0.250 -0.087 120 1HD PRO 18 1HD PRO 18 -10.026 0.016 -2.266 121 2HD PRO 18 2HD PRO 18 -9.828 1.292 -1.050 122 H GLY 19 H GLY 19 -8.491 -2.348 -1.907 123 1HA GLY 19 1HA GLY 19 -8.732 -5.071 -0.802 124 2HA GLY 19 2HA GLY 19 -9.130 -4.615 -2.451 125 H THR 20 H THR 20 -6.572 -2.924 -2.378 126 HA THR 20 HA THR 20 -4.816 -5.083 -3.274 127 HB THR 20 HB THR 20 -3.461 -2.827 -3.860 128 HG1 THR 20 HG1 THR 20 -6.184 -2.101 -4.121 129 1HG2 THR 20 1HG2 THR 20 -3.879 -3.318 -5.984 130 2HG2 THR 20 2HG2 THR 20 -5.627 -3.275 -5.758 131 3HG2 THR 20 3HG2 THR 20 -4.715 -4.719 -5.314 132 H GLY 21 H GLY 21 -4.453 -5.734 -0.981 133 1HA GLY 21 1HA GLY 21 -3.175 -4.098 0.895 134 2HA GLY 21 2HA GLY 21 -3.019 -5.844 0.817 135 H HIS 22 H HIS 22 -1.948 -5.755 -1.920 136 HA HIS 22 HA HIS 22 0.800 -5.497 -1.224 137 1HB HIS 22 1HB HIS 22 -0.640 -6.090 -3.807 138 2HB HIS 22 2HB HIS 22 1.109 -5.902 -3.752 139 HD1 HIS 22 HD1 HIS 22 -1.510 -7.967 -1.905 140 HD2 HIS 22 HD2 HIS 22 2.365 -8.259 -3.378 141 HE1 HIS 22 HE1 HIS 22 -0.791 -10.332 -1.442 142 HE2 HIS 22 HE2 HIS 22 1.524 -10.509 -2.419 143 H CYS 23 H CYS 23 0.269 -4.202 -4.352 144 HA CYS 23 HA CYS 23 -0.229 -1.546 -3.898 145 1HB CYS 23 1HB CYS 23 2.215 -2.179 -2.738 146 2HB CYS 23 2HB CYS 23 2.642 -1.429 -4.258 147 H GLU 24 H GLU 24 0.067 -0.223 -5.709 148 HA GLU 24 HA GLU 24 0.688 -1.714 -8.162 149 1HB GLU 24 1HB GLU 24 -1.384 0.187 -7.431 150 2HB GLU 24 2HB GLU 24 -0.534 0.691 -8.886 151 1HG GLU 24 1HG GLU 24 -1.420 -0.948 -10.126 152 2HG GLU 24 2HG GLU 24 -1.284 -2.140 -8.833 153 H MET 25 H MET 25 2.609 -0.387 -6.315 154 HA MET 25 HA MET 25 3.893 1.331 -8.316 155 1HB MET 25 1HB MET 25 3.169 1.991 -5.527 156 2HB MET 25 2HB MET 25 4.801 2.434 -6.009 157 1HG MET 25 1HG MET 25 2.673 3.171 -7.901 158 2HG MET 25 2HG MET 25 2.642 4.003 -6.346 159 1HE MET 25 1HE MET 25 5.362 4.699 -9.856 160 2HE MET 25 2HE MET 25 3.899 3.719 -9.723 161 3HE MET 25 3HE MET 25 5.454 3.055 -9.224 162 H CYS 26 H CYS 26 4.518 -0.140 -5.105 163 HA CYS 26 HA CYS 26 7.224 -0.740 -5.914 164 1HB CYS 26 1HB CYS 26 7.264 -1.790 -3.592 165 2HB CYS 26 2HB CYS 26 7.084 -0.051 -3.677 166 H SER 27 H SER 27 4.352 -2.578 -4.887 167 HA SER 27 HA SER 27 3.584 -4.572 -5.843 168 1HB SER 27 1HB SER 27 5.410 -4.334 -7.643 169 2HB SER 27 2HB SER 27 6.399 -5.331 -6.577 170 HG SER 27 HG SER 27 3.990 -5.994 -7.887 171 H LEU 28 H LEU 28 4.391 -3.820 -3.291 172 HA LEU 28 HA LEU 28 5.375 -6.336 -2.152 173 1HB LEU 28 1HB LEU 28 5.962 -3.502 -1.651 174 2HB LEU 28 2HB LEU 28 5.769 -4.477 -0.234 175 HG LEU 28 HG LEU 28 7.708 -5.044 -2.461 176 1HD1 LEU 28 1HD1 LEU 28 8.734 -3.253 -1.525 177 2HD1 LEU 28 2HD1 LEU 28 9.290 -4.489 -0.394 178 3HD1 LEU 28 3HD1 LEU 28 7.919 -3.456 0.027 179 1HD2 LEU 28 1HD2 LEU 28 7.641 -6.268 0.287 180 2HD2 LEU 28 2HD2 LEU 28 8.612 -6.757 -1.100 181 3HD2 LEU 28 3HD2 LEU 28 6.869 -7.008 -1.116 182 HA PRO 29 HA PRO 29 1.679 -6.502 0.268 183 1HB PRO 29 1HB PRO 29 2.499 -7.405 2.662 184 2HB PRO 29 2HB PRO 29 2.604 -8.400 1.204 185 1HG PRO 29 1HG PRO 29 4.745 -6.851 2.601 186 2HG PRO 29 2HG PRO 29 4.826 -8.460 1.862 187 1HD PRO 29 1HD PRO 29 5.722 -6.146 0.660 188 2HD PRO 29 2HD PRO 29 5.237 -7.605 -0.221 189 H ARG 30 H ARG 30 0.443 -5.624 2.037 190 HA ARG 30 HA ARG 30 1.101 -2.925 2.630 191 1HB ARG 30 1HB ARG 30 -1.219 -4.365 2.519 192 2HB ARG 30 2HB ARG 30 -1.011 -4.158 4.245 193 1HG ARG 30 1HG ARG 30 -0.938 -1.762 4.001 194 2HG ARG 30 2HG ARG 30 -1.010 -1.913 2.245 195 1HD ARG 30 1HD ARG 30 -3.182 -1.350 3.447 196 2HD ARG 30 2HD ARG 30 -3.228 -2.681 2.292 197 HE ARG 30 HE ARG 30 -2.724 -3.499 5.005 198 1HH1 ARG 30 1HH1 ARG 30 -5.183 -2.779 2.635 199 2HH1 ARG 30 2HH1 ARG 30 -6.393 -3.741 3.416 200 1HH2 ARG 30 1HH2 ARG 30 -4.314 -4.765 6.032 201 2HH2 ARG 30 2HH2 ARG 30 -5.900 -4.869 5.344 202 H THR 31 H THR 31 2.028 -5.780 4.009 203 HA THR 31 HA THR 31 3.065 -4.388 6.338 204 HB THR 31 HB THR 31 1.254 -6.797 6.453 205 HG1 THR 31 HG1 THR 31 1.229 -4.309 7.812 206 1HG2 THR 31 1HG2 THR 31 3.010 -5.749 8.664 207 2HG2 THR 31 2HG2 THR 31 3.106 -7.337 7.903 208 3HG2 THR 31 3HG2 THR 31 1.694 -6.905 8.867 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -12.289 7.625 -6.991 2 2H GLY 1 2H GLY 1 -12.285 6.554 -8.300 3 3H GLY 1 3H GLY 1 -11.226 6.307 -7.004 4 1HA GLY 1 1HA GLY 1 -14.186 6.179 -6.826 5 2HA GLY 1 2HA GLY 1 -13.133 4.780 -6.956 6 H SER 2 H SER 2 -14.586 4.528 -4.883 7 HA SER 2 HA SER 2 -12.808 4.786 -2.663 8 1HB SER 2 1HB SER 2 -14.033 7.070 -2.904 9 2HB SER 2 2HB SER 2 -15.428 6.204 -2.261 10 HG SER 2 HG SER 2 -13.740 7.319 -0.798 11 H THR 3 H THR 3 -13.219 2.478 -3.002 12 HA THR 3 HA THR 3 -15.736 1.285 -2.663 13 HB THR 3 HB THR 3 -13.760 0.118 -3.583 14 HG1 THR 3 HG1 THR 3 -15.369 -1.213 -2.864 15 1HG2 THR 3 1HG2 THR 3 -12.141 0.999 -1.855 16 2HG2 THR 3 2HG2 THR 3 -12.002 -0.710 -2.269 17 3HG2 THR 3 3HG2 THR 3 -12.791 -0.227 -0.767 18 H SER 4 H SER 4 -13.161 1.969 -0.319 19 HA SER 4 HA SER 4 -15.111 2.154 1.804 20 1HB SER 4 1HB SER 4 -13.188 -0.127 1.592 21 2HB SER 4 2HB SER 4 -13.550 0.529 3.188 22 HG SER 4 HG SER 4 -15.561 -0.182 3.047 23 H ALA 5 H ALA 5 -11.621 1.474 1.835 24 HA ALA 5 HA ALA 5 -10.955 4.225 2.367 25 1HB ALA 5 1HB ALA 5 -11.081 2.216 4.558 26 2HB ALA 5 2HB ALA 5 -11.468 3.937 4.578 27 3HB ALA 5 3HB ALA 5 -9.784 3.411 4.579 28 H MET 6 H MET 6 -9.167 4.512 1.223 29 HA MET 6 HA MET 6 -7.483 2.353 0.427 30 1HB MET 6 1HB MET 6 -7.235 5.344 0.142 31 2HB MET 6 2HB MET 6 -6.101 4.210 -0.557 32 1HG MET 6 1HG MET 6 -7.396 4.330 -2.365 33 2HG MET 6 2HG MET 6 -8.459 3.237 -1.482 34 1HE MET 6 1HE MET 6 -8.709 5.194 -3.816 35 2HE MET 6 2HE MET 6 -9.591 6.698 -3.543 36 3HE MET 6 3HE MET 6 -10.460 5.163 -3.598 37 H TRP 7 H TRP 7 -4.986 2.789 0.634 38 HA TRP 7 HA TRP 7 -4.370 3.661 3.362 39 1HB TRP 7 1HB TRP 7 -2.800 1.741 3.620 40 2HB TRP 7 2HB TRP 7 -4.495 1.294 3.592 41 HD1 TRP 7 HD1 TRP 7 -5.367 0.000 1.328 42 HE1 TRP 7 HE1 TRP 7 -4.070 -1.510 -0.321 43 HE3 TRP 7 HE3 TRP 7 -0.591 1.415 2.504 44 HZ2 TRP 7 HZ2 TRP 7 -1.394 -2.033 -1.004 45 HZ3 TRP 7 HZ3 TRP 7 1.278 0.361 1.297 46 HH2 TRP 7 HH2 TRP 7 0.888 -1.321 -0.427 47 H ALA 8 H ALA 8 -2.121 4.092 3.754 48 HA ALA 8 HA ALA 8 -0.815 5.139 1.333 49 1HB ALA 8 1HB ALA 8 -1.460 6.771 3.100 50 2HB ALA 8 2HB ALA 8 0.265 6.763 2.731 51 3HB ALA 8 3HB ALA 8 -0.328 5.970 4.191 52 H CYS 9 H CYS 9 0.766 3.900 0.601 53 HA CYS 9 HA CYS 9 2.032 1.874 2.090 54 1HB CYS 9 1HB CYS 9 1.748 1.955 -0.419 55 2HB CYS 9 2HB CYS 9 3.054 3.135 -0.451 56 H GLN 10 H GLN 10 4.367 1.693 2.467 57 HA GLN 10 HA GLN 10 5.523 4.287 3.230 58 1HB GLN 10 1HB GLN 10 6.242 1.699 4.580 59 2HB GLN 10 2HB GLN 10 6.451 3.342 5.170 60 1HG GLN 10 1HG GLN 10 4.631 2.950 6.385 61 2HG GLN 10 2HG GLN 10 3.741 3.178 4.881 62 1HE2 GLN 10 1HE2 GLN 10 2.918 1.400 3.804 63 2HE2 GLN 10 2HE2 GLN 10 2.806 -0.160 4.536 64 H HIS 11 H HIS 11 5.839 3.039 0.669 65 HA HIS 11 HA HIS 11 8.751 2.716 0.688 66 1HB HIS 11 1HB HIS 11 7.219 0.511 0.429 67 2HB HIS 11 2HB HIS 11 7.257 1.033 -1.251 68 HD1 HIS 11 HD1 HIS 11 9.151 -0.836 1.199 69 HD2 HIS 11 HD2 HIS 11 10.011 1.311 -2.254 70 HE1 HIS 11 HE1 HIS 11 11.446 -1.590 0.495 71 HE2 HIS 11 HE2 HIS 11 11.983 -0.215 -1.547 72 H CYS 12 H CYS 12 5.940 2.815 -1.492 73 HA CYS 12 HA CYS 12 7.402 4.435 -3.390 74 1HB CYS 12 1HB CYS 12 5.208 4.304 -4.627 75 2HB CYS 12 2HB CYS 12 6.018 2.772 -4.379 76 H THR 13 H THR 13 4.852 4.665 -1.033 77 HA THR 13 HA THR 13 4.089 6.453 0.153 78 HB THR 13 HB THR 13 6.373 7.504 -0.646 79 HG1 THR 13 HG1 THR 13 5.628 8.362 1.141 80 1HG2 THR 13 1HG2 THR 13 6.388 9.074 -2.220 81 2HG2 THR 13 2HG2 THR 13 4.861 9.761 -1.669 82 3HG2 THR 13 3HG2 THR 13 4.862 8.383 -2.767 83 H PHE 14 H PHE 14 2.681 5.202 -1.939 84 HA PHE 14 HA PHE 14 1.016 7.427 -2.891 85 1HB PHE 14 1HB PHE 14 2.125 6.249 -4.730 86 2HB PHE 14 2HB PHE 14 1.437 4.730 -4.184 87 HD1 PHE 14 HD1 PHE 14 -0.396 3.973 -5.323 88 HD2 PHE 14 HD2 PHE 14 0.271 8.167 -5.061 89 HE1 PHE 14 HE1 PHE 14 -2.378 4.371 -6.726 90 HE2 PHE 14 HE2 PHE 14 -1.710 8.574 -6.462 91 HZ PHE 14 HZ PHE 14 -3.039 6.674 -7.295 92 H MET 15 H MET 15 -1.259 6.853 -3.183 93 HA MET 15 HA MET 15 -2.212 5.353 -0.876 94 1HB MET 15 1HB MET 15 -3.065 7.689 -1.968 95 2HB MET 15 2HB MET 15 -4.169 6.561 -2.742 96 1HG MET 15 1HG MET 15 -4.768 5.699 -0.491 97 2HG MET 15 2HG MET 15 -3.774 6.973 0.210 98 1HE MET 15 1HE MET 15 -7.030 8.643 1.125 99 2HE MET 15 2HE MET 15 -5.295 8.837 1.372 100 3HE MET 15 3HE MET 15 -6.040 7.250 1.558 101 H ASN 16 H ASN 16 -3.584 3.617 -0.957 102 HA ASN 16 HA ASN 16 -4.025 2.395 -3.580 103 1HB ASN 16 1HB ASN 16 -1.927 1.661 -2.104 104 2HB ASN 16 2HB ASN 16 -3.149 0.646 -1.364 105 1HD2 ASN 16 1HD2 ASN 16 -0.999 1.014 -3.898 106 2HD2 ASN 16 2HD2 ASN 16 -1.528 -0.301 -4.884 107 H GLN 17 H GLN 17 -5.687 0.800 -3.632 108 HA GLN 17 HA GLN 17 -7.931 1.399 -2.049 109 1HB GLN 17 1HB GLN 17 -7.276 -0.630 -4.087 110 2HB GLN 17 2HB GLN 17 -8.708 -0.891 -3.110 111 1HG GLN 17 1HG GLN 17 -8.264 1.724 -4.486 112 2HG GLN 17 2HG GLN 17 -8.900 0.342 -5.377 113 1HE2 GLN 17 1HE2 GLN 17 -9.556 2.807 -3.091 114 2HE2 GLN 17 2HE2 GLN 17 -11.230 2.452 -2.854 115 HA PRO 18 HA PRO 18 -7.589 -1.277 1.437 116 1HB PRO 18 1HB PRO 18 -10.130 -2.096 1.841 117 2HB PRO 18 2HB PRO 18 -9.616 -0.430 2.124 118 1HG PRO 18 1HG PRO 18 -11.037 -1.597 -0.237 119 2HG PRO 18 2HG PRO 18 -11.351 -0.074 0.615 120 1HD PRO 18 1HD PRO 18 -9.971 -0.201 -1.721 121 2HD PRO 18 2HD PRO 18 -9.663 1.035 -0.486 122 H GLY 19 H GLY 19 -8.511 -2.560 -1.580 123 1HA GLY 19 1HA GLY 19 -8.567 -5.312 -0.555 124 2HA GLY 19 2HA GLY 19 -9.057 -4.805 -2.166 125 H THR 20 H THR 20 -6.561 -3.088 -2.251 126 HA THR 20 HA THR 20 -4.804 -5.194 -3.250 127 HB THR 20 HB THR 20 -3.579 -2.812 -3.842 128 HG1 THR 20 HG1 THR 20 -6.372 -2.398 -4.110 129 1HG2 THR 20 1HG2 THR 20 -5.742 -3.874 -5.601 130 2HG2 THR 20 2HG2 THR 20 -4.237 -4.758 -5.344 131 3HG2 THR 20 3HG2 THR 20 -4.201 -3.139 -6.043 132 H GLY 21 H GLY 21 -4.491 -5.692 -0.817 133 1HA GLY 21 1HA GLY 21 -3.086 -4.063 0.917 134 2HA GLY 21 2HA GLY 21 -2.922 -5.808 0.868 135 H HIS 22 H HIS 22 -1.960 -5.706 -1.939 136 HA HIS 22 HA HIS 22 0.809 -5.464 -1.335 137 1HB HIS 22 1HB HIS 22 -0.720 -6.035 -3.866 138 2HB HIS 22 2HB HIS 22 1.029 -5.837 -3.880 139 HD1 HIS 22 HD1 HIS 22 -1.628 -8.049 -2.329 140 HD2 HIS 22 HD2 HIS 22 2.436 -8.075 -3.195 141 HE1 HIS 22 HE1 HIS 22 -0.848 -10.385 -1.821 142 HE2 HIS 22 HE2 HIS 22 1.595 -10.400 -2.435 143 H CYS 23 H CYS 23 0.197 -4.131 -4.429 144 HA CYS 23 HA CYS 23 -0.289 -1.486 -3.928 145 1HB CYS 23 1HB CYS 23 2.207 -2.157 -2.866 146 2HB CYS 23 2HB CYS 23 2.556 -1.322 -4.362 147 H GLU 24 H GLU 24 0.189 -0.067 -5.712 148 HA GLU 24 HA GLU 24 0.624 -1.560 -8.208 149 1HB GLU 24 1HB GLU 24 -1.565 -0.112 -7.534 150 2HB GLU 24 2HB GLU 24 -0.602 1.130 -8.323 151 1HG GLU 24 1HG GLU 24 -0.350 -0.760 -10.160 152 2HG GLU 24 2HG GLU 24 -1.875 -1.293 -9.453 153 H MET 25 H MET 25 2.611 -0.277 -6.349 154 HA MET 25 HA MET 25 3.950 1.359 -8.385 155 1HB MET 25 1HB MET 25 2.903 2.428 -6.073 156 2HB MET 25 2HB MET 25 4.571 2.110 -5.621 157 1HG MET 25 1HG MET 25 4.366 4.358 -6.440 158 2HG MET 25 2HG MET 25 5.326 3.402 -7.569 159 1HE MET 25 1HE MET 25 4.718 4.074 -10.344 160 2HE MET 25 2HE MET 25 5.199 5.201 -9.073 161 3HE MET 25 3HE MET 25 3.857 5.601 -10.147 162 H CYS 26 H CYS 26 4.543 -0.069 -5.148 163 HA CYS 26 HA CYS 26 7.226 -0.764 -5.935 164 1HB CYS 26 1HB CYS 26 7.202 -1.835 -3.618 165 2HB CYS 26 2HB CYS 26 7.084 -0.091 -3.696 166 H SER 27 H SER 27 4.304 -2.544 -4.934 167 HA SER 27 HA SER 27 3.490 -4.512 -5.905 168 1HB SER 27 1HB SER 27 5.305 -4.277 -7.720 169 2HB SER 27 2HB SER 27 6.281 -5.316 -6.681 170 HG SER 27 HG SER 27 4.284 -5.986 -8.355 171 H LEU 28 H LEU 28 4.329 -3.816 -3.352 172 HA LEU 28 HA LEU 28 5.264 -6.372 -2.263 173 1HB LEU 28 1HB LEU 28 5.958 -3.565 -1.738 174 2HB LEU 28 2HB LEU 28 5.763 -4.555 -0.334 175 HG LEU 28 HG LEU 28 7.630 -5.159 -2.611 176 1HD1 LEU 28 1HD1 LEU 28 8.729 -3.406 -1.686 177 2HD1 LEU 28 2HD1 LEU 28 9.277 -4.671 -0.585 178 3HD1 LEU 28 3HD1 LEU 28 7.958 -3.603 -0.114 179 1HD2 LEU 28 1HD2 LEU 28 7.577 -6.404 0.128 180 2HD2 LEU 28 2HD2 LEU 28 8.511 -6.905 -1.276 181 3HD2 LEU 28 3HD2 LEU 28 6.762 -7.106 -1.271 182 HA PRO 29 HA PRO 29 1.604 -6.425 0.216 183 1HB PRO 29 1HB PRO 29 2.428 -7.464 2.552 184 2HB PRO 29 2HB PRO 29 2.454 -8.403 1.055 185 1HG PRO 29 1HG PRO 29 4.697 -7.024 2.467 186 2HG PRO 29 2HG PRO 29 4.683 -8.599 1.655 187 1HD PRO 29 1HD PRO 29 5.663 -6.266 0.541 188 2HD PRO 29 2HD PRO 29 5.111 -7.669 -0.390 189 H ARG 30 H ARG 30 0.431 -5.496 1.969 190 HA ARG 30 HA ARG 30 1.299 -2.890 2.696 191 1HB ARG 30 1HB ARG 30 -1.131 -4.135 2.477 192 2HB ARG 30 2HB ARG 30 -0.949 -3.996 4.212 193 1HG ARG 30 1HG ARG 30 -0.472 -1.556 3.870 194 2HG ARG 30 2HG ARG 30 -0.949 -1.782 2.187 195 1HD ARG 30 1HD ARG 30 -2.759 -0.934 3.706 196 2HD ARG 30 2HD ARG 30 -3.158 -2.398 2.808 197 HE ARG 30 HE ARG 30 -2.091 -2.901 5.429 198 1HH1 ARG 30 1HH1 ARG 30 -4.985 -2.227 3.600 199 2HH1 ARG 30 2HH1 ARG 30 -6.042 -2.942 4.770 200 1HH2 ARG 30 1HH2 ARG 30 -3.479 -3.842 6.970 201 2HH2 ARG 30 2HH2 ARG 30 -5.187 -3.859 6.684 202 H THR 31 H THR 31 1.962 -5.870 3.954 203 HA THR 31 HA THR 31 3.042 -4.678 6.372 204 HB THR 31 HB THR 31 1.056 -6.947 6.330 205 HG1 THR 31 HG1 THR 31 1.172 -4.506 7.768 206 1HG2 THR 31 1HG2 THR 31 2.811 -6.119 8.633 207 2HG2 THR 31 2HG2 THR 31 2.828 -7.675 7.801 208 3HG2 THR 31 3HG2 THR 31 1.417 -7.195 8.744 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -17.756 10.073 -1.933 2 2H GLY 1 2H GLY 1 -17.974 9.252 -3.395 3 3H GLY 1 3H GLY 1 -16.780 8.744 -2.311 4 1HA GLY 1 1HA GLY 1 -18.544 8.236 -0.668 5 2HA GLY 1 2HA GLY 1 -19.718 8.601 -1.923 6 H SER 2 H SER 2 -16.749 6.655 -1.557 7 HA SER 2 HA SER 2 -18.107 4.225 -2.166 8 1HB SER 2 1HB SER 2 -16.487 5.570 -4.318 9 2HB SER 2 2HB SER 2 -16.659 3.816 -4.269 10 HG SER 2 HG SER 2 -18.714 5.752 -4.505 11 H THR 3 H THR 3 -16.421 2.416 -2.559 12 HA THR 3 HA THR 3 -14.666 1.212 -1.760 13 HB THR 3 HB THR 3 -13.311 3.914 -1.634 14 HG1 THR 3 HG1 THR 3 -13.428 3.715 -3.713 15 1HG2 THR 3 1HG2 THR 3 -11.984 1.232 -1.861 16 2HG2 THR 3 2HG2 THR 3 -12.172 2.097 -0.336 17 3HG2 THR 3 3HG2 THR 3 -11.225 2.809 -1.644 18 H SER 4 H SER 4 -13.674 0.556 0.190 19 HA SER 4 HA SER 4 -15.052 1.431 2.535 20 1HB SER 4 1HB SER 4 -12.893 -0.600 2.008 21 2HB SER 4 2HB SER 4 -13.389 -0.206 3.653 22 HG SER 4 HG SER 4 -14.498 -1.982 2.270 23 H ALA 5 H ALA 5 -11.538 0.997 2.271 24 HA ALA 5 HA ALA 5 -10.999 3.744 2.945 25 1HB ALA 5 1HB ALA 5 -10.572 1.574 4.987 26 2HB ALA 5 2HB ALA 5 -11.541 3.039 5.149 27 3HB ALA 5 3HB ALA 5 -9.783 3.150 5.059 28 H MET 6 H MET 6 -9.335 4.178 1.659 29 HA MET 6 HA MET 6 -7.562 2.173 0.682 30 1HB MET 6 1HB MET 6 -7.538 5.181 0.503 31 2HB MET 6 2HB MET 6 -6.365 4.161 -0.298 32 1HG MET 6 1HG MET 6 -7.763 4.253 -2.030 33 2HG MET 6 2HG MET 6 -8.690 3.047 -1.139 34 1HE MET 6 1HE MET 6 -10.845 5.400 -3.133 35 2HE MET 6 2HE MET 6 -9.113 5.145 -3.350 36 3HE MET 6 3HE MET 6 -9.718 6.730 -2.866 37 H TRP 7 H TRP 7 -5.094 2.759 0.759 38 HA TRP 7 HA TRP 7 -4.350 3.632 3.446 39 1HB TRP 7 1HB TRP 7 -2.749 1.747 3.668 40 2HB TRP 7 2HB TRP 7 -4.431 1.258 3.697 41 HD1 TRP 7 HD1 TRP 7 -5.345 -0.022 1.415 42 HE1 TRP 7 HE1 TRP 7 -4.057 -1.541 -0.234 43 HE3 TRP 7 HE3 TRP 7 -0.563 1.386 2.570 44 HZ2 TRP 7 HZ2 TRP 7 -1.384 -2.076 -0.925 45 HZ3 TRP 7 HZ3 TRP 7 1.302 0.326 1.363 46 HH2 TRP 7 HH2 TRP 7 0.904 -1.362 -0.356 47 H ALA 8 H ALA 8 -2.087 4.083 3.718 48 HA ALA 8 HA ALA 8 -0.891 5.086 1.217 49 1HB ALA 8 1HB ALA 8 0.191 6.795 2.520 50 2HB ALA 8 2HB ALA 8 -0.377 6.067 4.023 51 3HB ALA 8 3HB ALA 8 -1.531 6.794 2.905 52 H CYS 9 H CYS 9 0.785 3.955 0.514 53 HA CYS 9 HA CYS 9 2.068 1.963 2.040 54 1HB CYS 9 1HB CYS 9 1.815 2.073 -0.491 55 2HB CYS 9 2HB CYS 9 3.165 3.203 -0.472 56 H GLN 10 H GLN 10 4.413 1.833 2.420 57 HA GLN 10 HA GLN 10 5.513 4.451 3.179 58 1HB GLN 10 1HB GLN 10 6.219 1.894 4.596 59 2HB GLN 10 2HB GLN 10 6.420 3.549 5.154 60 1HG GLN 10 1HG GLN 10 4.574 3.204 6.339 61 2HG GLN 10 2HG GLN 10 3.709 3.363 4.811 62 1HE2 GLN 10 1HE2 GLN 10 2.961 1.518 3.767 63 2HE2 GLN 10 2HE2 GLN 10 2.836 -0.006 4.570 64 H HIS 11 H HIS 11 5.881 3.114 0.654 65 HA HIS 11 HA HIS 11 8.799 2.845 0.727 66 1HB HIS 11 1HB HIS 11 7.298 0.610 0.505 67 2HB HIS 11 2HB HIS 11 7.370 1.084 -1.189 68 HD1 HIS 11 HD1 HIS 11 9.382 -0.375 1.539 69 HD2 HIS 11 HD2 HIS 11 9.993 1.057 -2.313 70 HE1 HIS 11 HE1 HIS 11 11.662 -1.194 0.866 71 HE2 HIS 11 HE2 HIS 11 11.969 -0.388 -1.500 72 H CYS 12 H CYS 12 6.032 2.813 -1.511 73 HA CYS 12 HA CYS 12 7.484 4.402 -3.435 74 1HB CYS 12 1HB CYS 12 5.310 4.219 -4.686 75 2HB CYS 12 2HB CYS 12 6.103 2.692 -4.365 76 H THR 13 H THR 13 4.942 4.680 -1.081 77 HA THR 13 HA THR 13 4.142 6.479 0.047 78 HB THR 13 HB THR 13 6.450 7.506 -0.699 79 HG1 THR 13 HG1 THR 13 4.248 9.014 0.237 80 1HG2 THR 13 1HG2 THR 13 4.983 8.379 -2.868 81 2HG2 THR 13 2HG2 THR 13 6.529 9.021 -2.316 82 3HG2 THR 13 3HG2 THR 13 5.023 9.773 -1.790 83 H PHE 14 H PHE 14 2.750 5.214 -2.007 84 HA PHE 14 HA PHE 14 1.140 7.435 -3.064 85 1HB PHE 14 1HB PHE 14 2.265 6.141 -4.836 86 2HB PHE 14 2HB PHE 14 1.488 4.679 -4.254 87 HD1 PHE 14 HD1 PHE 14 -0.340 3.972 -5.434 88 HD2 PHE 14 HD2 PHE 14 0.504 8.139 -5.254 89 HE1 PHE 14 HE1 PHE 14 -2.267 4.421 -6.896 90 HE2 PHE 14 HE2 PHE 14 -1.422 8.597 -6.715 91 HZ PHE 14 HZ PHE 14 -2.811 6.735 -7.537 92 H MET 15 H MET 15 -1.147 6.834 -3.406 93 HA MET 15 HA MET 15 -2.165 5.522 -1.024 94 1HB MET 15 1HB MET 15 -3.015 7.741 -2.232 95 2HB MET 15 2HB MET 15 -3.982 6.589 -3.141 96 1HG MET 15 1HG MET 15 -5.063 5.817 -1.173 97 2HG MET 15 2HG MET 15 -3.944 6.704 -0.139 98 1HE MET 15 1HE MET 15 -7.060 6.519 -2.031 99 2HE MET 15 2HE MET 15 -6.512 7.679 -3.240 100 3HE MET 15 3HE MET 15 -7.755 8.138 -2.076 101 H ASN 16 H ASN 16 -3.636 3.815 -1.039 102 HA ASN 16 HA ASN 16 -3.822 2.309 -3.544 103 1HB ASN 16 1HB ASN 16 -1.898 1.730 -1.802 104 2HB ASN 16 2HB ASN 16 -3.204 0.828 -1.057 105 1HD2 ASN 16 1HD2 ASN 16 -1.261 1.219 -3.922 106 2HD2 ASN 16 2HD2 ASN 16 -1.568 -0.345 -4.587 107 H GLN 17 H GLN 17 -5.572 0.896 -3.701 108 HA GLN 17 HA GLN 17 -7.899 1.626 -2.297 109 1HB GLN 17 1HB GLN 17 -7.189 -0.410 -4.302 110 2HB GLN 17 2HB GLN 17 -8.682 -0.654 -3.417 111 1HG GLN 17 1HG GLN 17 -8.092 1.962 -4.738 112 2HG GLN 17 2HG GLN 17 -8.724 0.607 -5.668 113 1HE2 GLN 17 1HE2 GLN 17 -9.561 3.303 -4.011 114 2HE2 GLN 17 2HE2 GLN 17 -11.200 2.916 -3.627 115 HA PRO 18 HA PRO 18 -7.972 -1.066 1.194 116 1HB PRO 18 1HB PRO 18 -10.555 -1.819 1.377 117 2HB PRO 18 2HB PRO 18 -10.029 -0.162 1.690 118 1HG PRO 18 1HG PRO 18 -11.267 -1.321 -0.775 119 2HG PRO 18 2HG PRO 18 -11.614 0.219 0.032 120 1HD PRO 18 1HD PRO 18 -10.036 0.021 -2.173 121 2HD PRO 18 2HD PRO 18 -9.816 1.274 -0.937 122 H GLY 19 H GLY 19 -8.500 -2.358 -1.879 123 1HA GLY 19 1HA GLY 19 -8.735 -5.098 -0.817 124 2HA GLY 19 2HA GLY 19 -9.135 -4.614 -2.458 125 H THR 20 H THR 20 -6.576 -2.927 -2.359 126 HA THR 20 HA THR 20 -4.824 -5.070 -3.296 127 HB THR 20 HB THR 20 -3.471 -2.809 -3.853 128 HG1 THR 20 HG1 THR 20 -6.191 -2.063 -4.085 129 1HG2 THR 20 1HG2 THR 20 -4.340 -2.871 -6.065 130 2HG2 THR 20 2HG2 THR 20 -5.773 -3.744 -5.527 131 3HG2 THR 20 3HG2 THR 20 -4.191 -4.523 -5.468 132 H GLY 21 H GLY 21 -4.455 -5.757 -1.013 133 1HA GLY 21 1HA GLY 21 -3.178 -4.149 0.886 134 2HA GLY 21 2HA GLY 21 -3.021 -5.893 0.781 135 H HIS 22 H HIS 22 -1.947 -5.759 -1.956 136 HA HIS 22 HA HIS 22 0.800 -5.500 -1.246 137 1HB HIS 22 1HB HIS 22 -0.635 -6.100 -3.826 138 2HB HIS 22 2HB HIS 22 1.111 -5.878 -3.784 139 HD1 HIS 22 HD1 HIS 22 -1.531 -8.069 -2.148 140 HD2 HIS 22 HD2 HIS 22 2.487 -8.144 -3.205 141 HE1 HIS 22 HE1 HIS 22 -0.746 -10.403 -1.643 142 HE2 HIS 22 HE2 HIS 22 1.709 -10.400 -2.210 143 H CYS 23 H CYS 23 0.255 -4.186 -4.368 144 HA CYS 23 HA CYS 23 -0.245 -1.534 -3.888 145 1HB CYS 23 1HB CYS 23 2.207 -2.174 -2.749 146 2HB CYS 23 2HB CYS 23 2.625 -1.413 -4.266 147 H GLU 24 H GLU 24 0.057 -0.189 -5.687 148 HA GLU 24 HA GLU 24 0.642 -1.661 -8.160 149 1HB GLU 24 1HB GLU 24 -1.396 0.262 -7.394 150 2HB GLU 24 2HB GLU 24 -0.549 0.768 -8.849 151 1HG GLU 24 1HG GLU 24 -1.378 -2.051 -8.782 152 2HG GLU 24 2HG GLU 24 -2.685 -0.868 -8.826 153 H MET 25 H MET 25 2.591 -0.371 -6.308 154 HA MET 25 HA MET 25 3.891 1.340 -8.306 155 1HB MET 25 1HB MET 25 3.183 1.997 -5.513 156 2HB MET 25 2HB MET 25 4.821 2.417 -5.995 157 1HG MET 25 1HG MET 25 2.685 3.195 -7.867 158 2HG MET 25 2HG MET 25 2.703 4.031 -6.315 159 1HE MET 25 1HE MET 25 4.130 3.970 -9.866 160 2HE MET 25 2HE MET 25 4.701 5.637 -9.736 161 3HE MET 25 3HE MET 25 3.049 5.227 -9.266 162 H CYS 26 H CYS 26 4.525 -0.129 -5.095 163 HA CYS 26 HA CYS 26 7.215 -0.768 -5.922 164 1HB CYS 26 1HB CYS 26 7.227 -1.860 -3.604 165 2HB CYS 26 2HB CYS 26 7.121 -0.114 -3.680 166 H SER 27 H SER 27 4.348 -2.593 -4.858 167 HA SER 27 HA SER 27 3.540 -4.562 -5.848 168 1HB SER 27 1HB SER 27 5.352 -4.337 -7.656 169 2HB SER 27 2HB SER 27 6.344 -5.344 -6.603 170 HG SER 27 HG SER 27 4.876 -6.991 -6.808 171 H LEU 28 H LEU 28 4.376 -3.847 -3.287 172 HA LEU 28 HA LEU 28 5.304 -6.402 -2.188 173 1HB LEU 28 1HB LEU 28 5.992 -3.594 -1.661 174 2HB LEU 28 2HB LEU 28 5.793 -4.587 -0.256 175 HG LEU 28 HG LEU 28 7.666 -5.182 -2.529 176 1HD1 LEU 28 1HD1 LEU 28 7.985 -3.629 -0.031 177 2HD1 LEU 28 2HD1 LEU 28 8.773 -3.438 -1.597 178 3HD1 LEU 28 3HD1 LEU 28 9.309 -4.700 -0.487 179 1HD2 LEU 28 1HD2 LEU 28 7.605 -6.435 0.208 180 2HD2 LEU 28 2HD2 LEU 28 8.556 -6.932 -1.190 181 3HD2 LEU 28 3HD2 LEU 28 6.801 -7.136 -1.198 182 HA PRO 29 HA PRO 29 1.637 -6.455 0.284 183 1HB PRO 29 1HB PRO 29 2.452 -7.513 2.611 184 2HB PRO 29 2HB PRO 29 2.490 -8.440 1.105 185 1HG PRO 29 1HG PRO 29 4.721 -7.061 2.539 186 2HG PRO 29 2HG PRO 29 4.717 -8.634 1.722 187 1HD PRO 29 1HD PRO 29 5.695 -6.296 0.619 188 2HD PRO 29 2HD PRO 29 5.151 -7.697 -0.318 189 H ARG 30 H ARG 30 0.463 -5.524 2.033 190 HA ARG 30 HA ARG 30 1.350 -2.930 2.783 191 1HB ARG 30 1HB ARG 30 -1.088 -4.151 2.543 192 2HB ARG 30 2HB ARG 30 -0.913 -4.030 4.281 193 1HG ARG 30 1HG ARG 30 -0.381 -1.582 3.927 194 2HG ARG 30 2HG ARG 30 -0.932 -1.811 2.267 195 1HD ARG 30 1HD ARG 30 -2.688 -0.935 3.786 196 2HD ARG 30 2HD ARG 30 -3.116 -2.463 3.019 197 HE ARG 30 HE ARG 30 -1.913 -2.875 5.563 198 1HH1 ARG 30 1HH1 ARG 30 -4.903 -1.951 4.020 199 2HH1 ARG 30 2HH1 ARG 30 -5.894 -2.492 5.334 200 1HH2 ARG 30 1HH2 ARG 30 -3.214 -3.586 7.292 201 2HH2 ARG 30 2HH2 ARG 30 -4.935 -3.420 7.193 202 H THR 31 H THR 31 1.984 -5.925 4.020 203 HA THR 31 HA THR 31 3.060 -4.760 6.455 204 HB THR 31 HB THR 31 1.065 -7.021 6.383 205 HG1 THR 31 HG1 THR 31 -0.192 -5.621 7.302 206 1HG2 THR 31 1HG2 THR 31 2.912 -7.691 7.858 207 2HG2 THR 31 2HG2 THR 31 1.416 -7.383 8.740 208 3HG2 THR 31 3HG2 THR 31 2.714 -6.189 8.760 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -17.898 4.578 -8.298 2 2H GLY 1 2H GLY 1 -17.895 5.742 -7.071 3 3H GLY 1 3H GLY 1 -19.069 4.526 -7.078 4 1HA GLY 1 1HA GLY 1 -17.437 2.840 -6.647 5 2HA GLY 1 2HA GLY 1 -16.158 4.039 -6.772 6 H SER 2 H SER 2 -17.502 2.207 -4.591 7 HA SER 2 HA SER 2 -18.034 4.206 -2.545 8 1HB SER 2 1HB SER 2 -18.213 1.193 -2.589 9 2HB SER 2 2HB SER 2 -18.427 2.130 -1.111 10 HG SER 2 HG SER 2 -20.069 3.317 -2.399 11 H THR 3 H THR 3 -16.071 1.231 -2.522 12 HA THR 3 HA THR 3 -14.026 0.761 -1.644 13 HB THR 3 HB THR 3 -13.394 3.702 -1.716 14 HG1 THR 3 HG1 THR 3 -13.362 1.903 -3.907 15 1HG2 THR 3 1HG2 THR 3 -11.176 3.024 -2.246 16 2HG2 THR 3 2HG2 THR 3 -11.669 1.338 -2.397 17 3HG2 THR 3 3HG2 THR 3 -11.696 2.127 -0.820 18 H SER 4 H SER 4 -13.801 0.162 0.398 19 HA SER 4 HA SER 4 -15.066 1.407 2.564 20 1HB SER 4 1HB SER 4 -12.900 -0.669 2.353 21 2HB SER 4 2HB SER 4 -13.403 -0.052 3.925 22 HG SER 4 HG SER 4 -15.609 -0.620 3.162 23 H ALA 5 H ALA 5 -11.540 0.992 2.406 24 HA ALA 5 HA ALA 5 -11.055 3.806 2.785 25 1HB ALA 5 1HB ALA 5 -10.004 3.644 4.956 26 2HB ALA 5 2HB ALA 5 -10.358 1.918 5.030 27 3HB ALA 5 3HB ALA 5 -11.675 3.091 5.060 28 H MET 6 H MET 6 -9.318 4.208 1.597 29 HA MET 6 HA MET 6 -7.555 2.143 0.724 30 1HB MET 6 1HB MET 6 -7.588 5.131 0.401 31 2HB MET 6 2HB MET 6 -6.278 4.153 -0.222 32 1HG MET 6 1HG MET 6 -7.500 3.352 -1.929 33 2HG MET 6 2HG MET 6 -8.974 3.261 -0.967 34 1HE MET 6 1HE MET 6 -10.468 5.083 -0.411 35 2HE MET 6 2HE MET 6 -10.634 6.612 -1.272 36 3HE MET 6 3HE MET 6 -9.430 6.446 0.006 37 H TRP 7 H TRP 7 -5.075 2.802 0.794 38 HA TRP 7 HA TRP 7 -4.362 3.691 3.484 39 1HB TRP 7 1HB TRP 7 -2.737 1.813 3.712 40 2HB TRP 7 2HB TRP 7 -4.419 1.321 3.764 41 HD1 TRP 7 HD1 TRP 7 -5.360 0.028 1.509 42 HE1 TRP 7 HE1 TRP 7 -4.101 -1.489 -0.160 43 HE3 TRP 7 HE3 TRP 7 -0.562 1.448 2.576 44 HZ2 TRP 7 HZ2 TRP 7 -1.438 -2.013 -0.901 45 HZ3 TRP 7 HZ3 TRP 7 1.283 0.392 1.336 46 HH2 TRP 7 HH2 TRP 7 0.857 -1.298 -0.375 47 H ALA 8 H ALA 8 -2.072 4.129 3.752 48 HA ALA 8 HA ALA 8 -0.895 5.127 1.240 49 1HB ALA 8 1HB ALA 8 -0.412 6.111 4.052 50 2HB ALA 8 2HB ALA 8 -1.493 6.864 2.881 51 3HB ALA 8 3HB ALA 8 0.241 6.808 2.570 52 H CYS 9 H CYS 9 0.773 3.986 0.528 53 HA CYS 9 HA CYS 9 2.053 1.986 2.046 54 1HB CYS 9 1HB CYS 9 1.787 2.115 -0.491 55 2HB CYS 9 2HB CYS 9 3.160 3.219 -0.466 56 H GLN 10 H GLN 10 4.397 1.840 2.417 57 HA GLN 10 HA GLN 10 5.518 4.450 3.174 58 1HB GLN 10 1HB GLN 10 6.206 1.888 4.591 59 2HB GLN 10 2HB GLN 10 6.422 3.542 5.147 60 1HG GLN 10 1HG GLN 10 4.574 3.215 6.335 61 2HG GLN 10 2HG GLN 10 3.708 3.374 4.807 62 1HE2 GLN 10 1HE2 GLN 10 2.951 1.529 3.768 63 2HE2 GLN 10 2HE2 GLN 10 2.814 0.009 4.577 64 H HIS 11 H HIS 11 5.869 3.109 0.651 65 HA HIS 11 HA HIS 11 8.786 2.815 0.718 66 1HB HIS 11 1HB HIS 11 7.523 0.555 0.604 67 2HB HIS 11 2HB HIS 11 7.105 1.034 -1.038 68 HD1 HIS 11 HD1 HIS 11 10.153 0.338 1.096 69 HD2 HIS 11 HD2 HIS 11 9.044 0.554 -2.903 70 HE1 HIS 11 HE1 HIS 11 12.139 -0.483 -0.201 71 HE2 HIS 11 HE2 HIS 11 11.418 -0.431 -2.612 72 H CYS 12 H CYS 12 6.013 2.818 -1.512 73 HA CYS 12 HA CYS 12 7.474 4.402 -3.435 74 1HB CYS 12 1HB CYS 12 5.290 4.240 -4.679 75 2HB CYS 12 2HB CYS 12 6.083 2.709 -4.375 76 H THR 13 H THR 13 4.936 4.688 -1.077 77 HA THR 13 HA THR 13 4.150 6.488 0.063 78 HB THR 13 HB THR 13 6.462 7.505 -0.690 79 HG1 THR 13 HG1 THR 13 5.973 9.166 0.602 80 1HG2 THR 13 1HG2 THR 13 6.539 9.026 -2.303 81 2HG2 THR 13 2HG2 THR 13 5.041 9.783 -1.767 82 3HG2 THR 13 3HG2 THR 13 4.987 8.393 -2.850 83 H PHE 14 H PHE 14 2.753 5.239 -2.008 84 HA PHE 14 HA PHE 14 1.130 7.471 -3.015 85 1HB PHE 14 1HB PHE 14 2.277 6.257 -4.821 86 2HB PHE 14 2HB PHE 14 1.535 4.758 -4.284 87 HD1 PHE 14 HD1 PHE 14 -0.280 4.039 -5.473 88 HD2 PHE 14 HD2 PHE 14 0.475 8.218 -5.205 89 HE1 PHE 14 HE1 PHE 14 -2.214 4.477 -6.929 90 HE2 PHE 14 HE2 PHE 14 -1.459 8.664 -6.659 91 HZ PHE 14 HZ PHE 14 -2.806 6.793 -7.524 92 H MET 15 H MET 15 -1.156 6.836 -3.392 93 HA MET 15 HA MET 15 -2.158 5.454 -1.042 94 1HB MET 15 1HB MET 15 -3.045 7.670 -2.302 95 2HB MET 15 2HB MET 15 -4.040 6.464 -3.108 96 1HG MET 15 1HG MET 15 -4.664 5.657 -0.780 97 2HG MET 15 2HG MET 15 -3.940 7.154 -0.193 98 1HE MET 15 1HE MET 15 -6.562 9.714 -0.564 99 2HE MET 15 2HE MET 15 -4.811 9.514 -0.661 100 3HE MET 15 3HE MET 15 -5.713 8.766 0.657 101 H ASN 16 H ASN 16 -3.634 3.741 -1.108 102 HA ASN 16 HA ASN 16 -3.738 2.253 -3.628 103 1HB ASN 16 1HB ASN 16 -1.869 1.691 -1.801 104 2HB ASN 16 2HB ASN 16 -3.190 0.747 -1.146 105 1HD2 ASN 16 1HD2 ASN 16 -1.279 1.324 -4.027 106 2HD2 ASN 16 2HD2 ASN 16 -1.454 -0.259 -4.693 107 H GLN 17 H GLN 17 -5.405 0.671 -3.741 108 HA GLN 17 HA GLN 17 -7.824 1.427 -2.501 109 1HB GLN 17 1HB GLN 17 -7.675 -1.279 -3.626 110 2HB GLN 17 2HB GLN 17 -8.853 -0.019 -3.902 111 1HG GLN 17 1HG GLN 17 -6.170 -0.360 -5.201 112 2HG GLN 17 2HG GLN 17 -7.762 -0.381 -5.955 113 1HE2 GLN 17 1HE2 GLN 17 -8.911 1.838 -4.810 114 2HE2 GLN 17 2HE2 GLN 17 -8.078 3.255 -5.340 115 HA PRO 18 HA PRO 18 -7.951 -0.921 1.216 116 1HB PRO 18 1HB PRO 18 -10.533 -1.722 1.350 117 2HB PRO 18 2HB PRO 18 -10.042 -0.042 1.584 118 1HG PRO 18 1HG PRO 18 -11.160 -1.364 -0.857 119 2HG PRO 18 2HG PRO 18 -11.565 0.213 -0.154 120 1HD PRO 18 1HD PRO 18 -9.909 -0.055 -2.280 121 2HD PRO 18 2HD PRO 18 -9.722 1.240 -1.082 122 H GLY 19 H GLY 19 -8.496 -2.476 -1.768 123 1HA GLY 19 1HA GLY 19 -8.526 -5.123 -0.460 124 2HA GLY 19 2HA GLY 19 -9.103 -4.807 -2.090 125 H THR 20 H THR 20 -6.567 -2.972 -2.186 126 HA THR 20 HA THR 20 -4.845 -5.054 -3.290 127 HB THR 20 HB THR 20 -3.548 -2.873 -3.971 128 HG1 THR 20 HG1 THR 20 -4.585 -1.078 -3.673 129 1HG2 THR 20 1HG2 THR 20 -4.717 -4.358 -5.543 130 2HG2 THR 20 2HG2 THR 20 -4.823 -2.651 -5.977 131 3HG2 THR 20 3HG2 THR 20 -6.203 -3.460 -5.235 132 H GLY 21 H GLY 21 -4.638 -5.548 -0.773 133 1HA GLY 21 1HA GLY 21 -3.163 -4.054 0.978 134 2HA GLY 21 2HA GLY 21 -3.034 -5.799 0.868 135 H HIS 22 H HIS 22 -2.016 -5.689 -1.890 136 HA HIS 22 HA HIS 22 0.747 -5.447 -1.239 137 1HB HIS 22 1HB HIS 22 -0.731 -6.040 -3.800 138 2HB HIS 22 2HB HIS 22 1.021 -5.867 -3.765 139 HD1 HIS 22 HD1 HIS 22 -1.471 -7.823 -1.635 140 HD2 HIS 22 HD2 HIS 22 2.132 -8.314 -3.648 141 HE1 HIS 22 HE1 HIS 22 -0.800 -10.213 -1.238 142 HE2 HIS 22 HE2 HIS 22 1.426 -10.463 -2.392 143 H CYS 23 H CYS 23 0.229 -4.168 -4.364 144 HA CYS 23 HA CYS 23 -0.277 -1.508 -3.916 145 1HB CYS 23 1HB CYS 23 2.171 -2.142 -2.762 146 2HB CYS 23 2HB CYS 23 2.592 -1.391 -4.283 147 H GLU 24 H GLU 24 0.154 -0.143 -5.721 148 HA GLU 24 HA GLU 24 0.704 -1.664 -8.176 149 1HB GLU 24 1HB GLU 24 -1.344 0.265 -7.449 150 2HB GLU 24 2HB GLU 24 -0.489 0.751 -8.907 151 1HG GLU 24 1HG GLU 24 -1.296 -2.070 -8.819 152 2HG GLU 24 2HG GLU 24 -2.620 -0.906 -8.854 153 H MET 25 H MET 25 2.614 -0.304 -6.306 154 HA MET 25 HA MET 25 3.932 1.365 -8.329 155 1HB MET 25 1HB MET 25 3.208 2.063 -5.546 156 2HB MET 25 2HB MET 25 4.835 2.503 -6.045 157 1HG MET 25 1HG MET 25 2.694 3.207 -7.933 158 2HG MET 25 2HG MET 25 2.669 4.060 -6.390 159 1HE MET 25 1HE MET 25 6.288 4.059 -9.240 160 2HE MET 25 2HE MET 25 4.864 3.040 -9.438 161 3HE MET 25 3HE MET 25 5.993 2.744 -8.115 162 H CYS 26 H CYS 26 4.502 -0.107 -5.106 163 HA CYS 26 HA CYS 26 7.221 -0.712 -5.870 164 1HB CYS 26 1HB CYS 26 7.226 -1.758 -3.552 165 2HB CYS 26 2HB CYS 26 7.031 -0.020 -3.634 166 H SER 27 H SER 27 4.319 -2.545 -4.907 167 HA SER 27 HA SER 27 3.566 -4.542 -5.858 168 1HB SER 27 1HB SER 27 5.393 -4.272 -7.660 169 2HB SER 27 2HB SER 27 6.380 -5.287 -6.609 170 HG SER 27 HG SER 27 3.788 -6.036 -7.460 171 H LEU 28 H LEU 28 4.353 -3.813 -3.308 172 HA LEU 28 HA LEU 28 5.399 -6.314 -2.188 173 1HB LEU 28 1HB LEU 28 5.876 -3.468 -1.650 174 2HB LEU 28 2HB LEU 28 5.691 -4.459 -0.243 175 HG LEU 28 HG LEU 28 7.694 -4.921 -2.438 176 1HD1 LEU 28 1HD1 LEU 28 7.789 -3.386 0.090 177 2HD1 LEU 28 2HD1 LEU 28 8.639 -3.124 -1.434 178 3HD1 LEU 28 3HD1 LEU 28 9.201 -4.366 -0.315 179 1HD2 LEU 28 1HD2 LEU 28 7.625 -6.215 0.277 180 2HD2 LEU 28 2HD2 LEU 28 8.616 -6.641 -1.112 181 3HD2 LEU 28 3HD2 LEU 28 6.886 -6.943 -1.149 182 HA PRO 29 HA PRO 29 1.686 -6.662 0.188 183 1HB PRO 29 1HB PRO 29 2.512 -7.512 2.600 184 2HB PRO 29 2HB PRO 29 2.685 -8.507 1.150 185 1HG PRO 29 1HG PRO 29 4.729 -6.848 2.566 186 2HG PRO 29 2HG PRO 29 4.897 -8.457 1.844 187 1HD PRO 29 1HD PRO 29 5.704 -6.121 0.630 188 2HD PRO 29 2HD PRO 29 5.288 -7.603 -0.245 189 H ARG 30 H ARG 30 0.400 -5.870 1.985 190 HA ARG 30 HA ARG 30 0.883 -3.127 2.542 191 1HB ARG 30 1HB ARG 30 -1.334 -4.740 2.469 192 2HB ARG 30 2HB ARG 30 -1.140 -4.453 4.185 193 1HG ARG 30 1HG ARG 30 -1.220 -2.064 3.840 194 2HG ARG 30 2HG ARG 30 -1.306 -2.300 2.095 195 1HD ARG 30 1HD ARG 30 -3.525 -2.174 2.395 196 2HD ARG 30 2HD ARG 30 -3.379 -3.839 2.954 197 HE ARG 30 HE ARG 30 -2.976 -1.920 5.041 198 1HH1 ARG 30 1HH1 ARG 30 -5.390 -3.668 3.227 199 2HH1 ARG 30 2HH1 ARG 30 -6.584 -3.568 4.478 200 1HH2 ARG 30 1HH2 ARG 30 -4.545 -1.786 6.688 201 2HH2 ARG 30 2HH2 ARG 30 -6.104 -2.499 6.442 202 H THR 31 H THR 31 2.022 -5.890 3.940 203 HA THR 31 HA THR 31 2.951 -4.409 6.260 204 HB THR 31 HB THR 31 1.347 -6.960 6.393 205 HG1 THR 31 HG1 THR 31 1.092 -4.520 7.810 206 1HG2 THR 31 1HG2 THR 31 2.883 -5.722 8.667 207 2HG2 THR 31 2HG2 THR 31 3.320 -7.219 7.844 208 3HG2 THR 31 3HG2 THR 31 1.811 -7.119 8.749
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