NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587927 | 2mnq | 19901 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 H1 ACE 0 8.284 -0.748 -13.187 2 H2 ACE 0 H2 ACE 0 7.569 0.507 -12.175 3 H3 ACE 0 H3 ACE 0 7.069 -1.173 -11.981 4 H SER 1 H SER 1 9.690 1.125 -11.484 5 HA SER 1 HA SER 1 11.561 -0.597 -10.277 6 HB2 SER 1 HB2 SER 1 12.750 1.303 -10.220 7 HB3 SER 1 HB3 SER 1 11.330 2.170 -10.796 8 HG SER 1 HG SER 1 12.378 2.711 -8.632 9 H ASP 2 H ASP 2 8.669 0.937 -9.059 10 HA ASP 2 HA ASP 2 9.135 0.761 -6.301 11 HB2 ASP 2 HB2 ASP 2 7.240 1.991 -7.236 12 HB3 ASP 2 HB3 ASP 2 6.531 0.485 -7.817 13 H ALA 3 H ALA 3 8.009 -1.640 -8.624 14 HA ALA 3 HA ALA 3 7.118 -3.625 -6.876 15 HB1 ALA 3 HB1 ALA 3 7.011 -4.946 -8.725 16 HB2 ALA 3 HB2 ALA 3 8.655 -4.552 -9.226 17 HB3 ALA 3 HB3 ALA 3 7.337 -3.432 -9.571 18 H ALA 4 H ALA 4 10.302 -2.465 -7.474 19 HA ALA 4 HA ALA 4 11.954 -4.602 -6.968 20 HB1 ALA 4 HB1 ALA 4 13.547 -2.983 -6.022 21 HB2 ALA 4 HB2 ALA 4 12.255 -1.791 -5.883 22 HB3 ALA 4 HB3 ALA 4 12.779 -2.342 -7.475 23 H VAL 5 H VAL 5 9.591 -3.317 -4.897 24 HA VAL 5 HA VAL 5 10.656 -3.722 -2.358 25 HB VAL 5 HB VAL 5 8.568 -2.614 -2.491 26 HG11 VAL 5 HG11 VAL 5 7.592 -5.087 -3.949 27 HG12 VAL 5 HG12 VAL 5 7.798 -3.473 -4.630 28 HG13 VAL 5 HG13 VAL 5 6.546 -3.768 -3.423 29 HG21 VAL 5 HG21 VAL 5 7.943 -5.409 -1.490 30 HG22 VAL 5 HG22 VAL 5 7.164 -3.908 -0.990 31 HG23 VAL 5 HG23 VAL 5 8.850 -4.210 -0.567 32 H ASP 6 H ASP 6 9.159 -6.017 -4.602 33 HA ASP 6 HA ASP 6 9.032 -8.213 -2.834 34 HB2 ASP 6 HB2 ASP 6 9.347 -8.057 -5.836 35 HB3 ASP 6 HB3 ASP 6 9.177 -9.584 -4.971 36 H THR 7 H THR 7 11.569 -6.958 -4.922 37 HA THR 7 HA THR 7 13.468 -9.013 -4.514 38 HB THR 7 HB THR 7 13.898 -6.077 -5.129 39 HG1 THR 7 HG1 THR 7 14.328 -7.865 -7.103 40 HG21 THR 7 HG21 THR 7 16.048 -6.640 -4.647 41 HG22 THR 7 HG22 THR 7 15.994 -7.445 -6.215 42 HG23 THR 7 HG23 THR 7 15.716 -8.370 -4.739 43 H SER 8 H SER 8 12.611 -6.107 -2.735 44 HA SER 8 HA SER 8 14.673 -5.706 -1.010 45 HB2 SER 8 HB2 SER 8 13.187 -4.551 0.272 46 HB3 SER 8 HB3 SER 8 12.111 -4.842 -1.092 47 HG SER 8 HG SER 8 11.388 -5.461 1.125 48 H SER 9 H SER 9 12.943 -8.594 -1.387 49 HA SER 9 HA SER 9 12.972 -9.758 1.141 50 HB2 SER 9 HB2 SER 9 12.174 -10.637 -1.243 51 HB3 SER 9 HB3 SER 9 13.738 -11.445 -1.197 52 HG SER 9 HG SER 9 11.466 -11.817 0.363 53 H GLU 10 H GLU 10 15.569 -9.546 -1.265 54 HA GLU 10 HA GLU 10 17.429 -11.145 0.185 55 HB2 GLU 10 HB2 GLU 10 17.333 -9.920 -2.332 56 HB3 GLU 10 HB3 GLU 10 18.685 -9.149 -1.503 57 HG2 GLU 10 HG2 GLU 10 18.314 -12.151 -1.552 58 HG3 GLU 10 HG3 GLU 10 19.233 -11.291 -2.786 59 H ILE 11 H ILE 11 16.187 -8.083 0.784 60 HA ILE 11 HA ILE 11 16.717 -6.465 2.328 61 HB ILE 11 HB ILE 11 18.836 -8.406 3.272 62 HG12 ILE 11 HG12 ILE 11 16.601 -9.475 3.154 63 HG13 ILE 11 HG13 ILE 11 17.121 -9.244 4.822 64 HG21 ILE 11 HG21 ILE 11 18.181 -5.777 4.049 65 HG22 ILE 11 HG22 ILE 11 19.208 -6.918 4.917 66 HG23 ILE 11 HG23 ILE 11 17.485 -6.826 5.284 67 HD11 ILE 11 HD11 ILE 11 14.847 -8.056 3.391 68 HD12 ILE 11 HD12 ILE 11 15.808 -6.874 4.278 69 HD13 ILE 11 HD13 ILE 11 15.105 -8.252 5.124 70 H THR 12 H THR 12 17.475 -5.178 0.527 71 HA THR 12 HA THR 12 20.270 -4.446 0.855 72 HB THR 12 HB THR 12 19.694 -4.590 -1.983 73 HG1 THR 12 HG1 THR 12 20.096 -7.060 -1.650 74 HG21 THR 12 HG21 THR 12 21.797 -5.990 -0.314 75 HG22 THR 12 HG22 THR 12 21.920 -4.313 -0.845 76 HG23 THR 12 HG23 THR 12 21.883 -5.614 -2.035 77 H THR 13 H THR 13 17.144 -3.877 -0.677 78 HA THR 13 HA THR 13 17.506 -1.398 -1.804 79 HB THR 13 HB THR 13 15.096 -1.595 -0.103 80 HG1 THR 13 HG1 THR 13 15.623 -3.469 -2.166 81 HG21 THR 13 HG21 THR 13 15.241 -1.487 -3.105 82 HG22 THR 13 HG22 THR 13 15.652 -0.066 -2.146 83 HG23 THR 13 HG23 THR 13 14.041 -0.774 -2.027 84 H LYS 14 H LYS 14 17.136 -2.237 1.600 85 HA LYS 14 HA LYS 14 17.221 0.485 2.525 86 HB2 LYS 14 HB2 LYS 14 17.558 -0.623 4.770 87 HB3 LYS 14 HB3 LYS 14 16.099 -1.118 3.912 88 HG2 LYS 14 HG2 LYS 14 16.998 -3.207 3.327 89 HG3 LYS 14 HG3 LYS 14 18.657 -2.672 3.589 90 HD2 LYS 14 HD2 LYS 14 16.748 -2.655 5.902 91 HD3 LYS 14 HD3 LYS 14 17.452 -4.188 5.389 92 HE2 LYS 14 HE2 LYS 14 19.445 -2.057 5.535 93 HE3 LYS 14 HE3 LYS 14 18.648 -2.331 7.083 94 HZ1 LYS 14 HZ1 LYS 14 19.447 -4.696 5.582 95 HZ2 LYS 14 HZ2 LYS 14 19.480 -4.406 7.256 96 HZ3 LYS 14 HZ3 LYS 14 20.700 -3.772 6.256 97 H ASP 15 H ASP 15 19.531 -2.124 2.056 98 HA ASP 15 HA ASP 15 21.725 -1.137 3.459 99 HB2 ASP 15 HB2 ASP 15 21.597 -2.666 0.860 100 HB3 ASP 15 HB3 ASP 15 23.094 -2.346 1.731 101 H LEU 16 H LEU 16 20.390 -0.219 0.357 102 HA LEU 16 HA LEU 16 22.487 1.267 -0.714 103 HB2 LEU 16 HB2 LEU 16 20.460 0.910 -1.991 104 HB3 LEU 16 HB3 LEU 16 19.502 1.781 -0.793 105 HG LEU 16 HG LEU 16 21.811 3.275 -1.886 106 HD11 LEU 16 HD11 LEU 16 20.983 2.091 -3.904 107 HD12 LEU 16 HD12 LEU 16 20.663 3.823 -3.984 108 HD13 LEU 16 HD13 LEU 16 19.361 2.704 -3.582 109 HD21 LEU 16 HD21 LEU 16 20.430 5.097 -1.483 110 HD22 LEU 16 HD22 LEU 16 19.770 3.948 -0.319 111 HD23 LEU 16 HD23 LEU 16 18.961 4.199 -1.866 112 H LYS 17 H LYS 17 20.312 1.912 1.915 113 HA LYS 17 HA LYS 17 20.886 4.705 2.186 114 HB2 LYS 17 HB2 LYS 17 19.874 2.745 4.262 115 HB3 LYS 17 HB3 LYS 17 19.798 4.504 4.370 116 HG2 LYS 17 HG2 LYS 17 18.665 3.815 1.867 117 HG3 LYS 17 HG3 LYS 17 17.977 2.697 3.046 118 HD2 LYS 17 HD2 LYS 17 17.115 4.459 4.379 119 HD3 LYS 17 HD3 LYS 17 18.121 5.667 3.578 120 HE2 LYS 17 HE2 LYS 17 15.909 5.926 2.685 121 HE3 LYS 17 HE3 LYS 17 16.865 5.129 1.436 122 HZ1 LYS 17 HZ1 LYS 17 15.792 3.168 3.122 123 HZ2 LYS 17 HZ2 LYS 17 15.461 3.440 1.478 124 HZ3 LYS 17 HZ3 LYS 17 14.533 4.212 2.673 125 H GLU 18 H GLU 18 22.063 1.772 3.763 126 HA GLU 18 HA GLU 18 23.916 3.092 5.466 127 HB2 GLU 18 HB2 GLU 18 23.098 0.768 5.838 128 HB3 GLU 18 HB3 GLU 18 24.025 0.249 4.430 129 HG2 GLU 18 HG2 GLU 18 26.103 0.853 5.469 130 HG3 GLU 18 HG3 GLU 18 25.272 1.685 6.784 131 H LYS 19 H LYS 19 24.167 1.568 2.283 132 HA LYS 19 HA LYS 19 26.926 1.824 1.894 133 HB2 LYS 19 HB2 LYS 19 24.801 0.921 0.379 134 HB3 LYS 19 HB3 LYS 19 25.338 2.347 -0.511 135 HG2 LYS 19 HG2 LYS 19 27.581 1.502 -0.676 136 HG3 LYS 19 HG3 LYS 19 27.231 0.189 0.448 137 HD2 LYS 19 HD2 LYS 19 25.884 -0.953 -1.114 138 HD3 LYS 19 HD3 LYS 19 25.680 0.482 -2.120 139 HE2 LYS 19 HE2 LYS 19 27.312 -1.290 -2.995 140 HE3 LYS 19 HE3 LYS 19 27.921 0.363 -2.922 141 HZ1 LYS 19 HZ1 LYS 19 28.283 -1.262 -0.535 142 HZ2 LYS 19 HZ2 LYS 19 29.327 -0.126 -1.248 143 HZ3 LYS 19 HZ3 LYS 19 29.215 -1.697 -1.884 144 H LYS 20 H LYS 20 24.305 4.146 1.531 145 HA LYS 20 HA LYS 20 25.963 6.168 0.326 146 HB2 LYS 20 HB2 LYS 20 23.278 5.826 0.450 147 HB3 LYS 20 HB3 LYS 20 23.503 6.975 1.770 148 HG2 LYS 20 HG2 LYS 20 23.237 8.393 -0.075 149 HG3 LYS 20 HG3 LYS 20 24.993 8.267 0.049 150 HD2 LYS 20 HD2 LYS 20 25.037 6.546 -1.674 151 HD3 LYS 20 HD3 LYS 20 23.274 6.527 -1.743 152 HE2 LYS 20 HE2 LYS 20 24.355 7.885 -3.572 153 HE3 LYS 20 HE3 LYS 20 23.216 8.794 -2.580 154 HZ1 LYS 20 HZ1 LYS 20 25.716 8.935 -1.355 155 HZ2 LYS 20 HZ2 LYS 20 24.837 10.192 -2.084 156 HZ3 LYS 20 HZ3 LYS 20 25.947 9.286 -2.998 157 H GLU 21 H GLU 21 24.876 5.317 3.547 158 HA GLU 21 HA GLU 21 25.806 7.647 4.870 159 HB2 GLU 21 HB2 GLU 21 24.195 6.150 5.919 160 HB3 GLU 21 HB3 GLU 21 25.374 4.838 5.912 161 HG2 GLU 21 HG2 GLU 21 26.604 7.110 7.128 162 HG3 GLU 21 HG3 GLU 21 25.023 6.889 7.874 163 H VAL 22 H VAL 22 27.307 4.471 4.250 164 HA VAL 22 HA VAL 22 29.656 4.924 5.744 165 HB VAL 22 HB VAL 22 30.668 3.182 4.210 166 HG11 VAL 22 HG11 VAL 22 29.766 2.214 6.111 167 HG12 VAL 22 HG12 VAL 22 28.725 1.488 4.886 168 HG13 VAL 22 HG13 VAL 22 28.159 2.878 5.812 169 HG21 VAL 22 HG21 VAL 22 27.903 3.402 3.021 170 HG22 VAL 22 HG22 VAL 22 28.973 2.034 2.736 171 HG23 VAL 22 HG23 VAL 22 29.432 3.646 2.183 172 H VAL 23 H VAL 23 28.652 6.097 2.628 173 HA VAL 23 HA VAL 23 30.970 6.635 1.286 174 HB VAL 23 HB VAL 23 28.524 7.347 0.757 175 HG11 VAL 23 HG11 VAL 23 27.874 9.536 1.381 176 HG12 VAL 23 HG12 VAL 23 29.504 9.963 1.902 177 HG13 VAL 23 HG13 VAL 23 28.536 8.845 2.863 178 HG21 VAL 23 HG21 VAL 23 30.691 7.751 -0.587 179 HG22 VAL 23 HG22 VAL 23 30.662 9.379 0.090 180 HG23 VAL 23 HG23 VAL 23 29.331 8.821 -0.923 181 H GLU 24 H GLU 24 29.840 8.079 4.251 182 HA GLU 24 HA GLU 24 31.513 10.336 4.364 183 HB2 GLU 24 HB2 GLU 24 29.936 8.734 6.258 184 HB3 GLU 24 HB3 GLU 24 31.341 9.520 6.976 185 HG2 GLU 24 HG2 GLU 24 29.624 11.137 5.139 186 HG3 GLU 24 HG3 GLU 24 29.010 10.795 6.755 187 H GLU 25 H GLU 25 32.047 6.952 5.165 188 HA GLU 25 HA GLU 25 34.521 7.167 6.467 189 HB2 GLU 25 HB2 GLU 25 32.993 5.097 6.119 190 HB3 GLU 25 HB3 GLU 25 33.867 4.899 4.600 191 HG2 GLU 25 HG2 GLU 25 35.000 3.586 6.286 192 HG3 GLU 25 HG3 GLU 25 36.016 4.976 5.904 193 H ALA 26 H ALA 26 33.645 7.845 3.261 194 HA ALA 26 HA ALA 26 35.737 7.151 1.653 195 HB1 ALA 26 HB1 ALA 26 35.426 9.516 0.624 196 HB2 ALA 26 HB2 ALA 26 34.141 9.695 1.819 197 HB3 ALA 26 HB3 ALA 26 34.054 8.408 0.616 198 H GLU 27 H GLU 27 35.802 9.342 4.347 199 HA GLU 27 HA GLU 27 38.257 10.661 3.701 200 HB2 GLU 27 HB2 GLU 27 36.701 10.303 6.264 201 HB3 GLU 27 HB3 GLU 27 38.232 11.176 6.205 202 HG2 GLU 27 HG2 GLU 27 37.351 12.794 4.672 203 HG3 GLU 27 HG3 GLU 27 35.898 11.835 4.397 204 H ASN 28 H ASN 28 37.740 7.511 4.147 205 HA ASN 28 HA ASN 28 39.067 5.715 4.674 206 HB2 ASN 28 HB2 ASN 28 40.755 6.825 3.316 207 HB3 ASN 28 HB3 ASN 28 41.226 7.837 4.681 208 HD21 ASN 28 HD21 ASN 28 40.395 4.404 5.053 209 HD22 ASN 28 HD22 ASN 28 41.964 3.895 5.453 Start of MODEL 2 1 H1 ACE 0 H1 ACE 0 19.379 -25.865 -5.268 2 H2 ACE 0 H2 ACE 0 17.793 -26.489 -4.815 3 H3 ACE 0 H3 ACE 0 19.006 -26.181 -3.573 4 H SER 1 H SER 1 16.769 -25.005 -2.980 5 HA SER 1 HA SER 1 16.161 -22.531 -4.192 6 HB2 SER 1 HB2 SER 1 15.564 -23.809 -1.559 7 HB3 SER 1 HB3 SER 1 15.269 -22.082 -1.736 8 HG SER 1 HG SER 1 13.672 -23.945 -2.463 9 H ASP 2 H ASP 2 18.736 -23.497 -2.137 10 HA ASP 2 HA ASP 2 19.360 -21.156 -0.761 11 HB2 ASP 2 HB2 ASP 2 21.415 -22.981 -2.012 12 HB3 ASP 2 HB3 ASP 2 21.568 -22.025 -0.539 13 H ALA 3 H ALA 3 20.027 -22.082 -4.099 14 HA ALA 3 HA ALA 3 21.793 -20.010 -4.782 15 HB1 ALA 3 HB1 ALA 3 21.266 -20.517 -7.070 16 HB2 ALA 3 HB2 ALA 3 19.730 -21.253 -6.609 17 HB3 ALA 3 HB3 ALA 3 21.249 -22.038 -6.175 18 H ALA 4 H ALA 4 18.337 -20.050 -4.355 19 HA ALA 4 HA ALA 4 17.456 -17.890 -5.804 20 HB1 ALA 4 HB1 ALA 4 15.701 -17.639 -4.190 21 HB2 ALA 4 HB2 ALA 4 16.678 -18.386 -2.925 22 HB3 ALA 4 HB3 ALA 4 16.083 -19.359 -4.271 23 H VAL 5 H VAL 5 19.367 -17.901 -2.869 24 HA VAL 5 HA VAL 5 19.218 -15.382 -1.903 25 HB VAL 5 HB VAL 5 21.585 -15.563 -1.275 26 HG11 VAL 5 HG11 VAL 5 21.270 -18.224 -0.642 27 HG12 VAL 5 HG12 VAL 5 19.608 -17.719 -0.945 28 HG13 VAL 5 HG13 VAL 5 20.575 -16.885 0.271 29 HG21 VAL 5 HG21 VAL 5 22.579 -16.383 -3.305 30 HG22 VAL 5 HG22 VAL 5 21.541 -17.809 -3.309 31 HG23 VAL 5 HG23 VAL 5 22.808 -17.643 -2.093 32 H ASP 6 H ASP 6 20.643 -16.400 -4.944 33 HA ASP 6 HA ASP 6 22.090 -14.095 -5.590 34 HB2 ASP 6 HB2 ASP 6 22.190 -16.070 -7.012 35 HB3 ASP 6 HB3 ASP 6 20.477 -15.916 -7.397 36 H THR 7 H THR 7 18.665 -14.854 -5.878 37 HA THR 7 HA THR 7 17.862 -12.445 -7.139 38 HB THR 7 HB THR 7 15.598 -13.011 -6.231 39 HG1 THR 7 HG1 THR 7 16.273 -15.464 -5.368 40 HG21 THR 7 HG21 THR 7 16.649 -14.012 -8.341 41 HG22 THR 7 HG22 THR 7 15.297 -14.902 -7.638 42 HG23 THR 7 HG23 THR 7 16.951 -15.456 -7.375 43 H SER 8 H SER 8 18.355 -13.431 -3.794 44 HA SER 8 HA SER 8 17.177 -11.264 -2.476 45 HB2 SER 8 HB2 SER 8 19.706 -12.655 -1.591 46 HB3 SER 8 HB3 SER 8 18.498 -11.871 -0.577 47 HG SER 8 HG SER 8 17.201 -13.604 -2.043 48 H SER 9 H SER 9 20.300 -11.522 -4.062 49 HA SER 9 HA SER 9 21.574 -9.272 -3.011 50 HB2 SER 9 HB2 SER 9 23.150 -9.672 -4.591 51 HB3 SER 9 HB3 SER 9 22.222 -11.140 -4.879 52 HG SER 9 HG SER 9 22.333 -10.193 -6.834 53 H GLU 10 H GLU 10 19.267 -9.537 -5.688 54 HA GLU 10 HA GLU 10 19.421 -6.899 -6.627 55 HB2 GLU 10 HB2 GLU 10 17.251 -8.981 -6.660 56 HB3 GLU 10 HB3 GLU 10 16.965 -7.367 -7.311 57 HG2 GLU 10 HG2 GLU 10 18.383 -7.680 -9.085 58 HG3 GLU 10 HG3 GLU 10 19.479 -8.705 -8.160 59 H ILE 11 H ILE 11 18.046 -8.192 -3.739 60 HA ILE 11 HA ILE 11 16.434 -5.793 -3.254 61 HB ILE 11 HB ILE 11 16.656 -8.494 -1.974 62 HG12 ILE 11 HG12 ILE 11 14.307 -6.748 -2.783 63 HG13 ILE 11 HG13 ILE 11 15.016 -8.007 -3.795 64 HG21 ILE 11 HG21 ILE 11 16.738 -7.241 0.003 65 HG22 ILE 11 HG22 ILE 11 15.002 -7.428 -0.241 66 HG23 ILE 11 HG23 ILE 11 15.798 -5.916 -0.680 67 HD11 ILE 11 HD11 ILE 11 13.192 -8.260 -1.515 68 HD12 ILE 11 HD12 ILE 11 14.600 -9.316 -1.393 69 HD13 ILE 11 HD13 ILE 11 13.545 -9.411 -2.802 70 H THR 12 H THR 12 17.585 -4.092 -2.564 71 HA THR 12 HA THR 12 18.784 -4.023 -0.032 72 HB THR 12 HB THR 12 20.593 -5.344 -0.858 73 HG1 THR 12 HG1 THR 12 21.231 -2.584 -0.949 74 HG21 THR 12 HG21 THR 12 21.792 -4.804 -2.922 75 HG22 THR 12 HG22 THR 12 20.748 -3.407 -3.185 76 HG23 THR 12 HG23 THR 12 20.078 -5.036 -3.267 77 H THR 13 H THR 13 17.088 -2.498 -1.935 78 HA THR 13 HA THR 13 18.480 -0.139 -2.722 79 HB THR 13 HB THR 13 15.531 -0.599 -2.199 80 HG1 THR 13 HG1 THR 13 15.816 -0.385 -4.670 81 HG21 THR 13 HG21 THR 13 16.032 1.772 -2.076 82 HG22 THR 13 HG22 THR 13 15.268 1.442 -3.631 83 HG23 THR 13 HG23 THR 13 17.013 1.678 -3.539 84 H LYS 14 H LYS 14 16.338 -0.884 0.025 85 HA LYS 14 HA LYS 14 16.728 1.627 1.322 86 HB2 LYS 14 HB2 LYS 14 16.090 -0.524 3.154 87 HB3 LYS 14 HB3 LYS 14 15.097 0.848 2.662 88 HG2 LYS 14 HG2 LYS 14 13.896 -1.076 1.938 89 HG3 LYS 14 HG3 LYS 14 14.668 -0.441 0.486 90 HD2 LYS 14 HD2 LYS 14 15.375 -2.603 0.251 91 HD3 LYS 14 HD3 LYS 14 16.632 -2.085 1.375 92 HE2 LYS 14 HE2 LYS 14 15.886 -3.897 2.566 93 HE3 LYS 14 HE3 LYS 14 14.699 -2.728 3.147 94 HZ1 LYS 14 HZ1 LYS 14 14.200 -4.272 0.685 95 HZ2 LYS 14 HZ2 LYS 14 13.082 -3.535 1.731 96 HZ3 LYS 14 HZ3 LYS 14 13.883 -4.958 2.203 97 H ASP 15 H ASP 15 18.395 -1.439 1.329 98 HA ASP 15 HA ASP 15 19.978 -0.998 3.659 99 HB2 ASP 15 HB2 ASP 15 20.097 -2.817 1.296 100 HB3 ASP 15 HB3 ASP 15 21.533 -2.642 2.301 101 H LEU 16 H LEU 16 20.160 -0.056 0.321 102 HA LEU 16 HA LEU 16 22.841 0.636 0.057 103 HB2 LEU 16 HB2 LEU 16 20.557 0.921 -1.480 104 HB3 LEU 16 HB3 LEU 16 21.012 2.589 -1.131 105 HG LEU 16 HG LEU 16 23.396 1.907 -1.805 106 HD11 LEU 16 HD11 LEU 16 23.794 -0.142 -2.736 107 HD12 LEU 16 HD12 LEU 16 22.201 -0.222 -3.489 108 HD13 LEU 16 HD13 LEU 16 22.388 -0.615 -1.780 109 HD21 LEU 16 HD21 LEU 16 22.765 2.016 -4.281 110 HD22 LEU 16 HD22 LEU 16 22.139 3.320 -3.273 111 HD23 LEU 16 HD23 LEU 16 21.082 1.994 -3.756 112 H LYS 17 H LYS 17 20.233 2.159 1.792 113 HA LYS 17 HA LYS 17 21.354 4.733 2.130 114 HB2 LYS 17 HB2 LYS 17 19.385 3.108 3.705 115 HB3 LYS 17 HB3 LYS 17 19.980 4.639 4.345 116 HG2 LYS 17 HG2 LYS 17 19.103 5.875 2.531 117 HG3 LYS 17 HG3 LYS 17 18.907 4.434 1.533 118 HD2 LYS 17 HD2 LYS 17 17.160 3.607 3.072 119 HD3 LYS 17 HD3 LYS 17 17.342 5.061 4.053 120 HE2 LYS 17 HE2 LYS 17 16.366 4.878 1.194 121 HE3 LYS 17 HE3 LYS 17 15.472 5.452 2.601 122 HZ1 LYS 17 HZ1 LYS 17 16.847 7.348 2.759 123 HZ2 LYS 17 HZ2 LYS 17 16.405 7.221 1.123 124 HZ3 LYS 17 HZ3 LYS 17 17.956 6.743 1.627 125 H GLU 18 H GLU 18 21.563 1.834 4.153 126 HA GLU 18 HA GLU 18 23.299 2.948 6.095 127 HB2 GLU 18 HB2 GLU 18 22.025 0.898 6.522 128 HB3 GLU 18 HB3 GLU 18 22.931 0.061 5.262 129 HG2 GLU 18 HG2 GLU 18 24.583 1.416 7.307 130 HG3 GLU 18 HG3 GLU 18 23.637 0.048 7.893 131 H LYS 19 H LYS 19 23.871 1.017 3.182 132 HA LYS 19 HA LYS 19 26.675 0.842 3.388 133 HB2 LYS 19 HB2 LYS 19 24.894 -0.247 1.712 134 HB3 LYS 19 HB3 LYS 19 25.434 1.086 0.691 135 HG2 LYS 19 HG2 LYS 19 26.919 -0.687 0.175 136 HG3 LYS 19 HG3 LYS 19 27.828 0.335 1.289 137 HD2 LYS 19 HD2 LYS 19 28.150 -1.551 2.500 138 HD3 LYS 19 HD3 LYS 19 26.467 -1.366 2.995 139 HE2 LYS 19 HE2 LYS 19 27.621 -3.140 0.858 140 HE3 LYS 19 HE3 LYS 19 26.499 -3.553 2.155 141 HZ1 LYS 19 HZ1 LYS 19 25.908 -2.759 -0.466 142 HZ2 LYS 19 HZ2 LYS 19 25.319 -1.564 0.590 143 HZ3 LYS 19 HZ3 LYS 19 24.830 -3.181 0.773 144 H LYS 20 H LYS 20 24.529 3.299 2.063 145 HA LYS 20 HA LYS 20 26.518 4.890 0.814 146 HB2 LYS 20 HB2 LYS 20 23.999 5.029 0.472 147 HB3 LYS 20 HB3 LYS 20 23.933 5.906 2.002 148 HG2 LYS 20 HG2 LYS 20 25.932 7.264 0.773 149 HG3 LYS 20 HG3 LYS 20 24.980 6.780 -0.632 150 HD2 LYS 20 HD2 LYS 20 23.818 8.144 1.814 151 HD3 LYS 20 HD3 LYS 20 24.279 8.990 0.336 152 HE2 LYS 20 HE2 LYS 20 22.670 7.740 -0.962 153 HE3 LYS 20 HE3 LYS 20 22.307 6.693 0.409 154 HZ1 LYS 20 HZ1 LYS 20 20.606 8.244 0.438 155 HZ2 LYS 20 HZ2 LYS 20 21.627 9.538 0.028 156 HZ3 LYS 20 HZ3 LYS 20 21.691 8.862 1.585 157 H GLU 21 H GLU 21 25.095 4.868 4.053 158 HA GLU 21 HA GLU 21 26.257 7.199 5.074 159 HB2 GLU 21 HB2 GLU 21 24.563 5.434 6.112 160 HB3 GLU 21 HB3 GLU 21 26.042 4.791 6.827 161 HG2 GLU 21 HG2 GLU 21 25.136 6.407 8.372 162 HG3 GLU 21 HG3 GLU 21 26.567 7.122 7.633 163 H VAL 22 H VAL 22 27.499 3.885 4.910 164 HA VAL 22 HA VAL 22 29.888 4.276 6.330 165 HB VAL 22 HB VAL 22 29.225 2.387 4.062 166 HG11 VAL 22 HG11 VAL 22 31.202 1.096 5.013 167 HG12 VAL 22 HG12 VAL 22 31.632 2.565 5.887 168 HG13 VAL 22 HG13 VAL 22 31.615 2.563 4.124 169 HG21 VAL 22 HG21 VAL 22 28.224 2.470 6.609 170 HG22 VAL 22 HG22 VAL 22 29.632 1.431 6.828 171 HG23 VAL 22 HG23 VAL 22 28.386 0.993 5.658 172 H VAL 23 H VAL 23 28.915 5.289 3.177 173 HA VAL 23 HA VAL 23 31.314 5.489 1.798 174 HB VAL 23 HB VAL 23 28.908 6.086 1.051 175 HG11 VAL 23 HG11 VAL 23 29.689 8.911 1.591 176 HG12 VAL 23 HG12 VAL 23 29.044 7.985 2.945 177 HG13 VAL 23 HG13 VAL 23 28.083 8.192 1.480 178 HG21 VAL 23 HG21 VAL 23 31.375 7.667 0.279 179 HG22 VAL 23 HG22 VAL 23 29.864 7.742 -0.628 180 HG23 VAL 23 HG23 VAL 23 30.740 6.217 -0.500 181 H GLU 24 H GLU 24 30.228 7.269 4.563 182 HA GLU 24 HA GLU 24 31.644 9.641 4.396 183 HB2 GLU 24 HB2 GLU 24 30.318 8.189 6.418 184 HB3 GLU 24 HB3 GLU 24 31.930 8.537 7.043 185 HG2 GLU 24 HG2 GLU 24 31.628 10.926 6.436 186 HG3 GLU 24 HG3 GLU 24 29.994 10.563 5.884 187 H GLU 25 H GLU 25 32.770 6.408 5.194 188 HA GLU 25 HA GLU 25 35.347 6.984 6.101 189 HB2 GLU 25 HB2 GLU 25 34.101 4.715 5.938 190 HB3 GLU 25 HB3 GLU 25 34.754 4.643 4.302 191 HG2 GLU 25 HG2 GLU 25 37.010 4.726 5.100 192 HG3 GLU 25 HG3 GLU 25 36.486 5.145 6.731 193 H ALA 26 H ALA 26 33.923 7.489 3.063 194 HA ALA 26 HA ALA 26 36.127 7.172 1.327 195 HB1 ALA 26 HB1 ALA 26 33.864 7.460 0.464 196 HB2 ALA 26 HB2 ALA 26 34.902 8.741 -0.161 197 HB3 ALA 26 HB3 ALA 26 33.781 9.080 1.158 198 H GLU 27 H GLU 27 35.294 9.607 3.647 199 HA GLU 27 HA GLU 27 36.946 11.703 2.637 200 HB2 GLU 27 HB2 GLU 27 35.027 11.604 4.529 201 HB3 GLU 27 HB3 GLU 27 36.457 11.529 5.558 202 HG2 GLU 27 HG2 GLU 27 37.242 13.492 3.897 203 HG3 GLU 27 HG3 GLU 27 35.498 13.732 3.802 204 H ASN 28 H ASN 28 37.636 8.733 4.065 205 HA ASN 28 HA ASN 28 40.435 9.138 4.037 206 HB2 ASN 28 HB2 ASN 28 39.360 10.277 6.272 207 HB3 ASN 28 HB3 ASN 28 39.706 8.647 6.850 208 HD21 ASN 28 HD21 ASN 28 41.110 11.694 6.350 209 HD22 ASN 28 HD22 ASN 28 42.740 11.222 6.400 Start of MODEL 3 1 H1 ACE 0 H1 ACE 0 28.636 -20.682 -0.539 2 H2 ACE 0 H2 ACE 0 30.001 -19.622 -0.899 3 H3 ACE 0 H3 ACE 0 28.742 -19.881 -2.108 4 H SER 1 H SER 1 27.237 -19.769 0.832 5 HA SER 1 HA SER 1 25.915 -18.218 1.892 6 HB2 SER 1 HB2 SER 1 27.357 -15.813 1.174 7 HB3 SER 1 HB3 SER 1 27.161 -16.565 2.754 8 HG SER 1 HG SER 1 28.926 -17.818 2.376 9 H ASP 2 H ASP 2 26.251 -18.430 -1.320 10 HA ASP 2 HA ASP 2 25.178 -16.135 -2.457 11 HB2 ASP 2 HB2 ASP 2 24.213 -18.733 -3.513 12 HB3 ASP 2 HB3 ASP 2 24.973 -17.383 -4.355 13 H ALA 3 H ALA 3 23.545 -18.807 -0.822 14 HA ALA 3 HA ALA 3 20.900 -18.185 -1.519 15 HB1 ALA 3 HB1 ALA 3 20.391 -19.896 -0.143 16 HB2 ALA 3 HB2 ALA 3 21.218 -19.150 1.224 17 HB3 ALA 3 HB3 ALA 3 22.133 -20.091 0.047 18 H ALA 4 H ALA 4 23.085 -16.685 0.724 19 HA ALA 4 HA ALA 4 21.320 -15.407 2.466 20 HB1 ALA 4 HB1 ALA 4 23.858 -15.440 2.579 21 HB2 ALA 4 HB2 ALA 4 23.101 -13.892 2.948 22 HB3 ALA 4 HB3 ALA 4 23.843 -14.156 1.370 23 H VAL 5 H VAL 5 22.039 -14.773 -0.871 24 HA VAL 5 HA VAL 5 21.237 -12.102 -1.079 25 HB VAL 5 HB VAL 5 20.988 -14.343 -3.100 26 HG11 VAL 5 HG11 VAL 5 20.280 -11.477 -3.146 27 HG12 VAL 5 HG12 VAL 5 19.734 -12.787 -4.191 28 HG13 VAL 5 HG13 VAL 5 21.284 -12.004 -4.496 29 HG21 VAL 5 HG21 VAL 5 23.111 -12.231 -2.599 30 HG22 VAL 5 HG22 VAL 5 23.081 -13.304 -3.998 31 HG23 VAL 5 HG23 VAL 5 23.294 -13.971 -2.379 32 H ASP 6 H ASP 6 19.363 -15.108 -1.133 33 HA ASP 6 HA ASP 6 16.886 -13.982 -1.868 34 HB2 ASP 6 HB2 ASP 6 17.764 -16.467 -0.477 35 HB3 ASP 6 HB3 ASP 6 16.073 -15.999 -0.311 36 H THR 7 H THR 7 18.491 -14.393 1.237 37 HA THR 7 HA THR 7 16.389 -13.441 2.874 38 HB THR 7 HB THR 7 17.976 -13.378 4.613 39 HG1 THR 7 HG1 THR 7 19.673 -12.649 2.538 40 HG21 THR 7 HG21 THR 7 19.124 -15.319 2.587 41 HG22 THR 7 HG22 THR 7 17.694 -15.632 3.572 42 HG23 THR 7 HG23 THR 7 19.267 -15.425 4.341 43 H SER 8 H SER 8 18.994 -11.884 1.104 44 HA SER 8 HA SER 8 19.017 -9.339 2.138 45 HB2 SER 8 HB2 SER 8 20.362 -10.327 0.179 46 HB3 SER 8 HB3 SER 8 19.021 -9.805 -0.835 47 HG SER 8 HG SER 8 19.375 -7.709 -0.188 48 H SER 9 H SER 9 16.443 -10.857 0.371 49 HA SER 9 HA SER 9 15.104 -8.649 -0.685 50 HB2 SER 9 HB2 SER 9 14.497 -11.394 -0.194 51 HB3 SER 9 HB3 SER 9 13.143 -10.423 0.365 52 HG SER 9 HG SER 9 13.996 -9.397 -1.922 53 H GLU 10 H GLU 10 15.012 -9.984 2.595 54 HA GLU 10 HA GLU 10 12.975 -8.265 3.574 55 HB2 GLU 10 HB2 GLU 10 14.658 -10.343 4.601 56 HB3 GLU 10 HB3 GLU 10 14.736 -8.963 5.695 57 HG2 GLU 10 HG2 GLU 10 12.396 -8.966 6.049 58 HG3 GLU 10 HG3 GLU 10 12.099 -9.980 4.638 59 H ILE 11 H ILE 11 16.224 -7.695 2.739 60 HA ILE 11 HA ILE 11 16.066 -5.006 3.894 61 HB ILE 11 HB ILE 11 18.629 -5.479 4.484 62 HG12 ILE 11 HG12 ILE 11 17.314 -8.139 5.079 63 HG13 ILE 11 HG13 ILE 11 18.297 -7.878 3.639 64 HG21 ILE 11 HG21 ILE 11 17.558 -4.756 6.353 65 HG22 ILE 11 HG22 ILE 11 17.442 -6.470 6.758 66 HG23 ILE 11 HG23 ILE 11 16.089 -5.657 5.972 67 HD11 ILE 11 HD11 ILE 11 19.644 -8.828 5.479 68 HD12 ILE 11 HD12 ILE 11 19.221 -7.449 6.494 69 HD13 ILE 11 HD13 ILE 11 20.203 -7.212 5.048 70 H THR 12 H THR 12 16.031 -4.001 1.942 71 HA THR 12 HA THR 12 18.491 -4.165 0.351 72 HB THR 12 HB THR 12 16.360 -3.792 -1.487 73 HG1 THR 12 HG1 THR 12 15.119 -5.565 -1.138 74 HG21 THR 12 HG21 THR 12 17.348 -5.670 -2.582 75 HG22 THR 12 HG22 THR 12 17.998 -6.300 -1.068 76 HG23 THR 12 HG23 THR 12 18.673 -4.832 -1.775 77 H THR 13 H THR 13 15.319 -2.568 0.138 78 HA THR 13 HA THR 13 16.146 -0.138 -0.868 79 HB THR 13 HB THR 13 14.145 0.770 0.569 80 HG1 THR 13 HG1 THR 13 14.420 -1.398 1.775 81 HG21 THR 13 HG21 THR 13 12.600 -0.697 -1.006 82 HG22 THR 13 HG22 THR 13 14.147 -1.171 -1.711 83 HG23 THR 13 HG23 THR 13 13.672 0.527 -1.685 84 H LYS 14 H LYS 14 16.060 -1.206 2.505 85 HA LYS 14 HA LYS 14 17.027 1.290 3.557 86 HB2 LYS 14 HB2 LYS 14 16.705 -1.485 4.700 87 HB3 LYS 14 HB3 LYS 14 17.439 -0.175 5.622 88 HG2 LYS 14 HG2 LYS 14 14.903 0.552 4.305 89 HG3 LYS 14 HG3 LYS 14 14.742 -0.700 5.536 90 HD2 LYS 14 HD2 LYS 14 16.147 0.835 7.048 91 HD3 LYS 14 HD3 LYS 14 15.836 2.098 5.857 92 HE2 LYS 14 HE2 LYS 14 14.119 2.309 7.513 93 HE3 LYS 14 HE3 LYS 14 13.360 1.555 6.111 94 HZ1 LYS 14 HZ1 LYS 14 13.341 -0.509 7.127 95 HZ2 LYS 14 HZ2 LYS 14 12.969 0.535 8.415 96 HZ3 LYS 14 HZ3 LYS 14 14.538 -0.093 8.253 97 H ASP 15 H ASP 15 18.437 -1.757 2.535 98 HA ASP 15 HA ASP 15 21.019 -1.439 3.600 99 HB2 ASP 15 HB2 ASP 15 19.735 -3.306 2.045 100 HB3 ASP 15 HB3 ASP 15 20.934 -2.639 0.939 101 H LEU 16 H LEU 16 19.451 -0.084 0.793 102 HA LEU 16 HA LEU 16 21.634 0.789 -0.690 103 HB2 LEU 16 HB2 LEU 16 18.807 1.405 -0.506 104 HB3 LEU 16 HB3 LEU 16 19.747 2.867 -0.806 105 HG LEU 16 HG LEU 16 20.190 0.323 -2.376 106 HD11 LEU 16 HD11 LEU 16 17.870 0.936 -2.731 107 HD12 LEU 16 HD12 LEU 16 18.797 1.410 -4.155 108 HD13 LEU 16 HD13 LEU 16 18.313 2.626 -2.972 109 HD21 LEU 16 HD21 LEU 16 21.138 3.147 -2.466 110 HD22 LEU 16 HD22 LEU 16 20.826 2.365 -4.016 111 HD23 LEU 16 HD23 LEU 16 21.986 1.661 -2.892 112 H LYS 17 H LYS 17 20.311 1.897 2.317 113 HA LYS 17 HA LYS 17 21.599 4.451 2.398 114 HB2 LYS 17 HB2 LYS 17 20.533 2.654 4.585 115 HB3 LYS 17 HB3 LYS 17 21.182 4.266 4.880 116 HG2 LYS 17 HG2 LYS 17 19.496 5.290 3.511 117 HG3 LYS 17 HG3 LYS 17 18.953 3.726 2.904 118 HD2 LYS 17 HD2 LYS 17 17.391 3.891 4.549 119 HD3 LYS 17 HD3 LYS 17 18.704 3.356 5.600 120 HE2 LYS 17 HE2 LYS 17 17.774 6.186 5.088 121 HE3 LYS 17 HE3 LYS 17 17.821 5.324 6.626 122 HZ1 LYS 17 HZ1 LYS 17 20.087 6.352 5.028 123 HZ2 LYS 17 HZ2 LYS 17 20.306 5.170 6.228 124 HZ3 LYS 17 HZ3 LYS 17 19.692 6.699 6.640 125 H GLU 18 H GLU 18 22.590 1.195 3.223 126 HA GLU 18 HA GLU 18 24.889 1.856 4.737 127 HB2 GLU 18 HB2 GLU 18 24.165 -0.390 4.882 128 HB3 GLU 18 HB3 GLU 18 24.109 -0.574 3.129 129 HG2 GLU 18 HG2 GLU 18 26.416 -0.765 2.934 130 HG3 GLU 18 HG3 GLU 18 26.718 0.126 4.424 131 H LYS 19 H LYS 19 24.224 1.718 1.311 132 HA LYS 19 HA LYS 19 26.922 1.708 0.398 133 HB2 LYS 19 HB2 LYS 19 24.488 2.838 -1.007 134 HB3 LYS 19 HB3 LYS 19 26.006 2.337 -1.753 135 HG2 LYS 19 HG2 LYS 19 24.229 0.467 -0.167 136 HG3 LYS 19 HG3 LYS 19 24.156 0.625 -1.922 137 HD2 LYS 19 HD2 LYS 19 26.804 0.265 -1.655 138 HD3 LYS 19 HD3 LYS 19 26.266 -0.604 -0.217 139 HE2 LYS 19 HE2 LYS 19 24.557 -1.737 -1.811 140 HE3 LYS 19 HE3 LYS 19 25.607 -1.156 -3.104 141 HZ1 LYS 19 HZ1 LYS 19 26.181 -3.108 -0.983 142 HZ2 LYS 19 HZ2 LYS 19 27.456 -2.206 -1.653 143 HZ3 LYS 19 HZ3 LYS 19 26.504 -3.203 -2.645 144 H LYS 20 H LYS 20 24.590 4.273 1.140 145 HA LYS 20 HA LYS 20 26.322 6.406 0.315 146 HB2 LYS 20 HB2 LYS 20 24.078 6.699 2.303 147 HB3 LYS 20 HB3 LYS 20 24.670 7.875 1.133 148 HG2 LYS 20 HG2 LYS 20 23.439 5.253 0.273 149 HG3 LYS 20 HG3 LYS 20 22.464 6.694 0.559 150 HD2 LYS 20 HD2 LYS 20 23.678 7.933 -1.126 151 HD3 LYS 20 HD3 LYS 20 24.835 6.617 -1.323 152 HE2 LYS 20 HE2 LYS 20 21.912 6.069 -1.729 153 HE3 LYS 20 HE3 LYS 20 22.829 6.857 -3.013 154 HZ1 LYS 20 HZ1 LYS 20 24.440 5.025 -2.878 155 HZ2 LYS 20 HZ2 LYS 20 22.890 4.496 -3.324 156 HZ3 LYS 20 HZ3 LYS 20 23.453 4.249 -1.739 157 H GLU 21 H GLU 21 25.797 4.599 3.243 158 HA GLU 21 HA GLU 21 27.146 6.418 4.992 159 HB2 GLU 21 HB2 GLU 21 25.924 3.775 5.166 160 HB3 GLU 21 HB3 GLU 21 27.398 3.897 6.127 161 HG2 GLU 21 HG2 GLU 21 25.179 5.956 6.227 162 HG3 GLU 21 HG3 GLU 21 25.282 4.591 7.338 163 H VAL 22 H VAL 22 28.139 3.615 3.069 164 HA VAL 22 HA VAL 22 30.730 3.296 4.108 165 HB VAL 22 HB VAL 22 29.588 2.708 1.375 166 HG11 VAL 22 HG11 VAL 22 31.690 1.110 1.425 167 HG12 VAL 22 HG12 VAL 22 32.337 2.334 2.515 168 HG13 VAL 22 HG13 VAL 22 31.859 2.778 0.877 169 HG21 VAL 22 HG21 VAL 22 29.124 0.602 2.207 170 HG22 VAL 22 HG22 VAL 22 28.957 1.534 3.695 171 HG23 VAL 22 HG23 VAL 22 30.450 0.654 3.368 172 H VAL 23 H VAL 23 29.555 5.378 1.451 173 HA VAL 23 HA VAL 23 32.114 6.228 0.599 174 HB VAL 23 HB VAL 23 30.841 8.252 -0.294 175 HG11 VAL 23 HG11 VAL 23 30.994 5.603 -1.162 176 HG12 VAL 23 HG12 VAL 23 30.507 6.990 -2.135 177 HG13 VAL 23 HG13 VAL 23 29.286 6.010 -1.325 178 HG21 VAL 23 HG21 VAL 23 29.051 8.113 1.460 179 HG22 VAL 23 HG22 VAL 23 28.471 6.641 0.678 180 HG23 VAL 23 HG23 VAL 23 28.424 8.177 -0.187 181 H GLU 24 H GLU 24 29.953 7.406 3.111 182 HA GLU 24 HA GLU 24 31.081 9.841 3.744 183 HB2 GLU 24 HB2 GLU 24 29.479 7.838 5.120 184 HB3 GLU 24 HB3 GLU 24 30.547 8.704 6.222 185 HG2 GLU 24 HG2 GLU 24 29.652 10.822 5.579 186 HG3 GLU 24 HG3 GLU 24 28.823 10.128 4.188 187 H GLU 25 H GLU 25 32.230 6.612 4.604 188 HA GLU 25 HA GLU 25 34.248 7.366 6.415 189 HB2 GLU 25 HB2 GLU 25 33.396 5.001 5.844 190 HB3 GLU 25 HB3 GLU 25 34.524 5.063 4.490 191 HG2 GLU 25 HG2 GLU 25 36.280 5.776 6.264 192 HG3 GLU 25 HG3 GLU 25 35.127 5.152 7.441 193 H ALA 26 H ALA 26 33.899 7.920 3.107 194 HA ALA 26 HA ALA 26 36.315 7.808 1.893 195 HB1 ALA 26 HB1 ALA 26 34.643 8.794 0.603 196 HB2 ALA 26 HB2 ALA 26 35.686 10.172 0.960 197 HB3 ALA 26 HB3 ALA 26 34.197 9.932 1.875 198 H GLU 27 H GLU 27 35.402 9.951 4.510 199 HA GLU 27 HA GLU 27 37.793 11.558 4.346 200 HB2 GLU 27 HB2 GLU 27 35.550 11.334 6.347 201 HB3 GLU 27 HB3 GLU 27 36.961 12.355 6.635 202 HG2 GLU 27 HG2 GLU 27 35.481 12.569 4.030 203 HG3 GLU 27 HG3 GLU 27 34.845 13.378 5.460 204 H ASN 28 H ASN 28 36.768 8.669 6.006 205 HA ASN 28 HA ASN 28 37.835 7.263 7.487 206 HB2 ASN 28 HB2 ASN 28 39.642 7.960 5.361 207 HB3 ASN 28 HB3 ASN 28 40.552 7.722 6.850 208 HD21 ASN 28 HD21 ASN 28 37.862 6.118 5.041 209 HD22 ASN 28 HD22 ASN 28 38.392 4.541 5.380 Start of MODEL 4 1 H1 ACE 0 H1 ACE 0 16.954 8.276 -13.746 2 H2 ACE 0 H2 ACE 0 15.437 8.513 -12.878 3 H3 ACE 0 H3 ACE 0 15.540 7.303 -14.156 4 H SER 1 H SER 1 15.949 5.259 -13.558 5 HA SER 1 HA SER 1 16.632 3.444 -12.320 6 HB2 SER 1 HB2 SER 1 18.626 5.307 -11.903 7 HB3 SER 1 HB3 SER 1 18.121 4.899 -10.265 8 HG SER 1 HG SER 1 18.300 2.736 -11.931 9 H ASP 2 H ASP 2 15.623 6.316 -10.562 10 HA ASP 2 HA ASP 2 14.952 5.276 -8.097 11 HB2 ASP 2 HB2 ASP 2 14.452 7.651 -9.490 12 HB3 ASP 2 HB3 ASP 2 12.858 7.038 -9.054 13 H ALA 3 H ALA 3 13.217 5.013 -11.151 14 HA ALA 3 HA ALA 3 10.786 3.992 -10.220 15 HB1 ALA 3 HB1 ALA 3 10.513 4.277 -12.440 16 HB2 ALA 3 HB2 ALA 3 11.193 2.657 -12.596 17 HB3 ALA 3 HB3 ALA 3 12.234 4.071 -12.766 18 H ALA 4 H ALA 4 13.922 2.534 -10.435 19 HA ALA 4 HA ALA 4 13.456 -0.157 -10.604 20 HB1 ALA 4 HB1 ALA 4 15.398 -0.428 -9.017 21 HB2 ALA 4 HB2 ALA 4 15.363 1.318 -8.775 22 HB3 ALA 4 HB3 ALA 4 15.709 0.657 -10.372 23 H VAL 5 H VAL 5 12.216 1.964 -8.278 24 HA VAL 5 HA VAL 5 12.017 0.656 -5.917 25 HB VAL 5 HB VAL 5 10.078 2.343 -7.446 26 HG11 VAL 5 HG11 VAL 5 9.461 0.632 -5.046 27 HG12 VAL 5 HG12 VAL 5 8.480 0.912 -6.485 28 HG13 VAL 5 HG13 VAL 5 8.647 2.181 -5.271 29 HG21 VAL 5 HG21 VAL 5 10.717 3.953 -5.942 30 HG22 VAL 5 HG22 VAL 5 12.132 2.913 -5.772 31 HG23 VAL 5 HG23 VAL 5 10.814 2.807 -4.604 32 H ASP 6 H ASP 6 10.332 -0.097 -8.922 33 HA ASP 6 HA ASP 6 8.584 -2.068 -7.894 34 HB2 ASP 6 HB2 ASP 6 8.530 -1.093 -10.234 35 HB3 ASP 6 HB3 ASP 6 9.915 -2.114 -10.615 36 H THR 7 H THR 7 11.909 -2.125 -9.022 37 HA THR 7 HA THR 7 12.375 -4.909 -8.781 38 HB THR 7 HB THR 7 14.704 -4.373 -8.933 39 HG1 THR 7 HG1 THR 7 15.386 -2.204 -8.612 40 HG21 THR 7 HG21 THR 7 14.030 -3.929 -11.066 41 HG22 THR 7 HG22 THR 7 14.458 -2.275 -10.629 42 HG23 THR 7 HG23 THR 7 12.777 -2.803 -10.545 43 H SER 8 H SER 8 12.006 -2.361 -6.496 44 HA SER 8 HA SER 8 13.530 -2.907 -4.346 45 HB2 SER 8 HB2 SER 8 11.616 -2.360 -2.885 46 HB3 SER 8 HB3 SER 8 11.713 -1.268 -4.261 47 HG SER 8 HG SER 8 9.585 -2.168 -3.802 48 H SER 9 H SER 9 11.290 -5.069 -5.812 49 HA SER 9 HA SER 9 10.682 -6.859 -3.778 50 HB2 SER 9 HB2 SER 9 9.687 -7.609 -5.688 51 HB3 SER 9 HB3 SER 9 10.994 -7.025 -6.715 52 HG SER 9 HG SER 9 10.791 -9.421 -5.241 53 H GLU 10 H GLU 10 13.570 -6.700 -5.828 54 HA GLU 10 HA GLU 10 14.935 -8.870 -4.568 55 HB2 GLU 10 HB2 GLU 10 15.487 -6.862 -6.633 56 HB3 GLU 10 HB3 GLU 10 16.899 -7.286 -5.666 57 HG2 GLU 10 HG2 GLU 10 16.560 -9.657 -6.135 58 HG3 GLU 10 HG3 GLU 10 15.070 -9.298 -7.007 59 H ILE 11 H ILE 11 13.986 -6.061 -3.305 60 HA ILE 11 HA ILE 11 14.595 -4.727 -1.557 61 HB ILE 11 HB ILE 11 15.574 -5.793 0.324 62 HG12 ILE 11 HG12 ILE 11 16.485 -8.201 -1.202 63 HG13 ILE 11 HG13 ILE 11 17.516 -6.773 -1.245 64 HG21 ILE 11 HG21 ILE 11 14.342 -8.101 -1.175 65 HG22 ILE 11 HG22 ILE 11 13.377 -6.713 -0.673 66 HG23 ILE 11 HG23 ILE 11 14.198 -7.700 0.536 67 HD11 ILE 11 HD11 ILE 11 16.452 -7.611 1.410 68 HD12 ILE 11 HD12 ILE 11 18.003 -6.881 1.000 69 HD13 ILE 11 HD13 ILE 11 17.728 -8.596 0.696 70 H THR 12 H THR 12 17.113 -4.713 -0.138 71 HA THR 12 HA THR 12 19.349 -4.052 -0.387 72 HB THR 12 HB THR 12 18.948 -3.492 -3.303 73 HG1 THR 12 HG1 THR 12 19.680 -6.038 -2.368 74 HG21 THR 12 HG21 THR 12 21.323 -4.898 -2.254 75 HG22 THR 12 HG22 THR 12 21.081 -3.273 -1.612 76 HG23 THR 12 HG23 THR 12 21.221 -3.523 -3.353 77 H THR 13 H THR 13 16.503 -2.498 -1.359 78 HA THR 13 HA THR 13 17.396 0.083 -1.999 79 HB THR 13 HB THR 13 14.859 -0.786 -0.595 80 HG1 THR 13 HG1 THR 13 14.061 -0.969 -2.591 81 HG21 THR 13 HG21 THR 13 13.985 1.392 -1.482 82 HG22 THR 13 HG22 THR 13 15.636 1.819 -1.930 83 HG23 THR 13 HG23 THR 13 15.216 1.582 -0.234 84 H LYS 14 H LYS 14 16.500 -1.329 1.147 85 HA LYS 14 HA LYS 14 17.101 1.018 2.650 86 HB2 LYS 14 HB2 LYS 14 15.641 -0.858 3.452 87 HB3 LYS 14 HB3 LYS 14 17.091 -1.845 3.629 88 HG2 LYS 14 HG2 LYS 14 17.699 0.591 4.901 89 HG3 LYS 14 HG3 LYS 14 16.053 0.201 5.402 90 HD2 LYS 14 HD2 LYS 14 16.997 -2.200 5.798 91 HD3 LYS 14 HD3 LYS 14 18.571 -1.404 5.792 92 HE2 LYS 14 HE2 LYS 14 16.243 -0.621 7.570 93 HE3 LYS 14 HE3 LYS 14 17.623 -1.589 8.086 94 HZ1 LYS 14 HZ1 LYS 14 18.998 0.361 7.200 95 HZ2 LYS 14 HZ2 LYS 14 18.204 0.551 8.690 96 HZ3 LYS 14 HZ3 LYS 14 17.553 1.246 7.283 97 H ASP 15 H ASP 15 18.929 -1.832 1.687 98 HA ASP 15 HA ASP 15 21.212 -1.493 3.275 99 HB2 ASP 15 HB2 ASP 15 20.774 -2.661 0.540 100 HB3 ASP 15 HB3 ASP 15 22.383 -2.585 1.255 101 H LEU 16 H LEU 16 20.183 0.048 0.298 102 HA LEU 16 HA LEU 16 22.540 1.302 -0.499 103 HB2 LEU 16 HB2 LEU 16 19.946 1.351 -1.359 104 HB3 LEU 16 HB3 LEU 16 20.105 2.966 -0.667 105 HG LEU 16 HG LEU 16 20.746 2.999 -3.035 106 HD11 LEU 16 HD11 LEU 16 23.329 3.155 -1.498 107 HD12 LEU 16 HD12 LEU 16 22.024 4.290 -1.159 108 HD13 LEU 16 HD13 LEU 16 22.734 4.218 -2.772 109 HD21 LEU 16 HD21 LEU 16 23.210 1.450 -2.713 110 HD22 LEU 16 HD22 LEU 16 21.998 1.374 -3.993 111 HD23 LEU 16 HD23 LEU 16 21.762 0.467 -2.498 112 H LYS 17 H LYS 17 20.359 1.958 2.125 113 HA LYS 17 HA LYS 17 21.287 4.591 2.734 114 HB2 LYS 17 HB2 LYS 17 19.107 3.657 3.514 115 HB3 LYS 17 HB3 LYS 17 19.997 2.588 4.598 116 HG2 LYS 17 HG2 LYS 17 20.839 4.398 5.875 117 HG3 LYS 17 HG3 LYS 17 20.415 5.577 4.633 118 HD2 LYS 17 HD2 LYS 17 18.144 3.986 5.650 119 HD3 LYS 17 HD3 LYS 17 18.883 5.062 6.837 120 HE2 LYS 17 HE2 LYS 17 18.542 6.982 5.435 121 HE3 LYS 17 HE3 LYS 17 18.080 5.972 4.064 122 HZ1 LYS 17 HZ1 LYS 17 16.063 5.442 5.024 123 HZ2 LYS 17 HZ2 LYS 17 16.250 7.073 5.464 124 HZ3 LYS 17 HZ3 LYS 17 16.570 5.842 6.592 125 H GLU 18 H GLU 18 22.185 1.351 3.782 126 HA GLU 18 HA GLU 18 24.079 2.263 5.747 127 HB2 GLU 18 HB2 GLU 18 22.997 0.063 5.947 128 HB3 GLU 18 HB3 GLU 18 23.757 -0.449 4.440 129 HG2 GLU 18 HG2 GLU 18 25.681 0.660 6.342 130 HG3 GLU 18 HG3 GLU 18 24.837 -0.752 6.977 131 H LYS 19 H LYS 19 24.189 1.194 2.392 132 HA LYS 19 HA LYS 19 27.052 1.219 2.202 133 HB2 LYS 19 HB2 LYS 19 25.887 -0.165 0.647 134 HB3 LYS 19 HB3 LYS 19 24.846 1.166 0.138 135 HG2 LYS 19 HG2 LYS 19 26.397 1.980 -1.299 136 HG3 LYS 19 HG3 LYS 19 27.711 1.750 -0.146 137 HD2 LYS 19 HD2 LYS 19 27.910 -0.579 -0.716 138 HD3 LYS 19 HD3 LYS 19 26.431 -0.528 -1.675 139 HE2 LYS 19 HE2 LYS 19 27.504 1.066 -3.233 140 HE3 LYS 19 HE3 LYS 19 28.990 0.983 -2.286 141 HZ1 LYS 19 HZ1 LYS 19 29.238 -0.531 -4.053 142 HZ2 LYS 19 HZ2 LYS 19 27.689 -1.190 -3.820 143 HZ3 LYS 19 HZ3 LYS 19 28.918 -1.479 -2.683 144 H LYS 20 H LYS 20 24.481 3.553 1.703 145 HA LYS 20 HA LYS 20 26.116 5.487 0.346 146 HB2 LYS 20 HB2 LYS 20 23.822 5.729 -0.074 147 HB3 LYS 20 HB3 LYS 20 23.397 5.541 1.627 148 HG2 LYS 20 HG2 LYS 20 24.310 7.704 2.172 149 HG3 LYS 20 HG3 LYS 20 25.004 7.876 0.560 150 HD2 LYS 20 HD2 LYS 20 22.529 7.570 -0.249 151 HD3 LYS 20 HD3 LYS 20 22.122 8.038 1.402 152 HE2 LYS 20 HE2 LYS 20 23.935 9.644 -0.419 153 HE3 LYS 20 HE3 LYS 20 22.220 9.979 -0.184 154 HZ1 LYS 20 HZ1 LYS 20 22.843 11.196 1.547 155 HZ2 LYS 20 HZ2 LYS 20 24.435 10.603 1.505 156 HZ3 LYS 20 HZ3 LYS 20 23.229 9.751 2.345 157 H GLU 21 H GLU 21 25.285 4.772 3.669 158 HA GLU 21 HA GLU 21 26.238 7.218 4.778 159 HB2 GLU 21 HB2 GLU 21 25.161 6.350 6.540 160 HB3 GLU 21 HB3 GLU 21 25.022 4.798 5.720 161 HG2 GLU 21 HG2 GLU 21 26.196 4.504 7.839 162 HG3 GLU 21 HG3 GLU 21 27.308 4.207 6.505 163 H VAL 22 H VAL 22 27.709 4.052 4.171 164 HA VAL 22 HA VAL 22 30.136 4.497 5.521 165 HB VAL 22 HB VAL 22 29.207 2.323 4.430 166 HG11 VAL 22 HG11 VAL 22 31.057 2.871 2.184 167 HG12 VAL 22 HG12 VAL 22 29.520 3.729 2.115 168 HG13 VAL 22 HG13 VAL 22 29.541 1.970 2.201 169 HG21 VAL 22 HG21 VAL 22 31.409 2.684 5.657 170 HG22 VAL 22 HG22 VAL 22 32.152 2.939 4.078 171 HG23 VAL 22 HG23 VAL 22 31.418 1.383 4.465 172 H VAL 23 H VAL 23 28.954 5.652 2.455 173 HA VAL 23 HA VAL 23 31.306 6.267 1.122 174 HB VAL 23 HB VAL 23 28.872 8.056 1.213 175 HG11 VAL 23 HG11 VAL 23 29.546 8.620 -1.062 176 HG12 VAL 23 HG12 VAL 23 30.863 7.449 -0.994 177 HG13 VAL 23 HG13 VAL 23 30.911 8.888 0.024 178 HG21 VAL 23 HG21 VAL 23 29.380 5.592 -0.484 179 HG22 VAL 23 HG22 VAL 23 27.973 6.649 -0.588 180 HG23 VAL 23 HG23 VAL 23 28.242 5.676 0.859 181 H GLU 24 H GLU 24 29.716 7.996 3.758 182 HA GLU 24 HA GLU 24 31.250 10.349 3.692 183 HB2 GLU 24 HB2 GLU 24 29.352 9.116 5.451 184 HB3 GLU 24 HB3 GLU 24 30.712 9.712 6.404 185 HG2 GLU 24 HG2 GLU 24 29.149 11.334 4.372 186 HG3 GLU 24 HG3 GLU 24 28.982 11.457 6.123 187 H GLU 25 H GLU 25 31.843 7.221 5.222 188 HA GLU 25 HA GLU 25 34.154 7.933 6.672 189 HB2 GLU 25 HB2 GLU 25 32.805 5.771 6.851 190 HB3 GLU 25 HB3 GLU 25 33.673 5.227 5.415 191 HG2 GLU 25 HG2 GLU 25 35.406 6.362 7.515 192 HG3 GLU 25 HG3 GLU 25 34.565 4.888 7.988 193 H ALA 26 H ALA 26 33.557 7.722 3.360 194 HA ALA 26 HA ALA 26 35.789 6.762 2.133 195 HB1 ALA 26 HB1 ALA 26 35.468 8.603 0.433 196 HB2 ALA 26 HB2 ALA 26 34.240 9.280 1.503 197 HB3 ALA 26 HB3 ALA 26 34.015 7.675 0.806 198 H GLU 27 H GLU 27 35.509 9.747 3.954 199 HA GLU 27 HA GLU 27 37.838 11.062 3.216 200 HB2 GLU 27 HB2 GLU 27 37.733 12.182 5.353 201 HB3 GLU 27 HB3 GLU 27 36.085 11.938 4.776 202 HG2 GLU 27 HG2 GLU 27 35.911 9.899 6.174 203 HG3 GLU 27 HG3 GLU 27 37.542 10.190 6.779 204 H ASN 28 H ASN 28 37.565 8.004 4.573 205 HA ASN 28 HA ASN 28 39.068 6.522 5.480 206 HB2 ASN 28 HB2 ASN 28 40.235 7.346 3.327 207 HB3 ASN 28 HB3 ASN 28 41.253 8.293 4.409 208 HD21 ASN 28 HD21 ASN 28 40.344 5.570 6.130 209 HD22 ASN 28 HD22 ASN 28 41.677 4.579 5.782 Start of MODEL 5 1 H1 ACE 0 H1 ACE 0 10.582 -13.768 14.613 2 H2 ACE 0 H2 ACE 0 11.006 -14.839 13.278 3 H3 ACE 0 H3 ACE 0 9.356 -14.814 13.898 4 H SER 1 H SER 1 11.631 -12.215 13.016 5 HA SER 1 HA SER 1 9.826 -11.366 10.863 6 HB2 SER 1 HB2 SER 1 10.102 -10.030 13.418 7 HB3 SER 1 HB3 SER 1 10.613 -8.978 12.102 8 HG SER 1 HG SER 1 8.590 -9.673 11.060 9 H ASP 2 H ASP 2 12.938 -11.377 12.417 10 HA ASP 2 HA ASP 2 14.347 -9.590 10.774 11 HB2 ASP 2 HB2 ASP 2 15.179 -12.041 12.318 12 HB3 ASP 2 HB3 ASP 2 16.338 -11.095 11.385 13 H ALA 3 H ALA 3 13.412 -12.947 10.293 14 HA ALA 3 HA ALA 3 15.063 -13.597 8.129 15 HB1 ALA 3 HB1 ALA 3 12.284 -14.506 8.880 16 HB2 ALA 3 HB2 ALA 3 13.810 -15.349 9.142 17 HB3 ALA 3 HB3 ALA 3 13.166 -15.178 7.508 18 H ALA 4 H ALA 4 12.418 -11.412 8.326 19 HA ALA 4 HA ALA 4 11.417 -11.451 5.715 20 HB1 ALA 4 HB1 ALA 4 10.249 -10.141 7.307 21 HB2 ALA 4 HB2 ALA 4 10.935 -8.977 6.173 22 HB3 ALA 4 HB3 ALA 4 11.698 -9.236 7.744 23 H VAL 5 H VAL 5 14.473 -10.465 6.902 24 HA VAL 5 HA VAL 5 15.232 -8.527 5.030 25 HB VAL 5 HB VAL 5 16.665 -10.430 6.820 26 HG11 VAL 5 HG11 VAL 5 17.913 -8.986 4.469 27 HG12 VAL 5 HG12 VAL 5 18.015 -10.704 4.855 28 HG13 VAL 5 HG13 VAL 5 18.844 -9.522 5.868 29 HG21 VAL 5 HG21 VAL 5 15.805 -7.908 7.135 30 HG22 VAL 5 HG22 VAL 5 17.379 -7.560 6.418 31 HG23 VAL 5 HG23 VAL 5 17.278 -8.493 7.911 32 H ASP 6 H ASP 6 15.287 -12.065 4.873 33 HA ASP 6 HA ASP 6 16.767 -12.309 2.488 34 HB2 ASP 6 HB2 ASP 6 14.461 -14.101 3.259 35 HB3 ASP 6 HB3 ASP 6 15.901 -14.523 2.335 36 H THR 7 H THR 7 13.350 -11.786 3.130 37 HA THR 7 HA THR 7 12.428 -11.901 0.456 38 HB THR 7 HB THR 7 11.233 -10.098 2.552 39 HG1 THR 7 HG1 THR 7 10.955 -12.914 2.355 40 HG21 THR 7 HG21 THR 7 9.137 -10.970 1.485 41 HG22 THR 7 HG22 THR 7 10.144 -11.842 0.328 42 HG23 THR 7 HG23 THR 7 10.176 -10.079 0.374 43 H SER 8 H SER 8 13.829 -9.376 2.460 44 HA SER 8 HA SER 8 13.320 -7.088 1.023 45 HB2 SER 8 HB2 SER 8 14.731 -7.447 3.171 46 HB3 SER 8 HB3 SER 8 16.087 -7.639 2.063 47 HG SER 8 HG SER 8 15.904 -5.585 1.462 48 H SER 9 H SER 9 15.341 -9.770 0.122 49 HA SER 9 HA SER 9 17.130 -8.775 -1.674 50 HB2 SER 9 HB2 SER 9 15.535 -11.263 -1.538 51 HB3 SER 9 HB3 SER 9 16.222 -10.882 -3.114 52 HG SER 9 HG SER 9 18.123 -11.341 -2.351 53 H GLU 10 H GLU 10 13.706 -8.573 -1.838 54 HA GLU 10 HA GLU 10 13.428 -8.177 -4.648 55 HB2 GLU 10 HB2 GLU 10 11.721 -8.183 -2.324 56 HB3 GLU 10 HB3 GLU 10 11.364 -6.780 -3.331 57 HG2 GLU 10 HG2 GLU 10 10.001 -8.604 -4.123 58 HG3 GLU 10 HG3 GLU 10 11.268 -8.330 -5.316 59 H ILE 11 H ILE 11 13.786 -6.003 -1.888 60 HA ILE 11 HA ILE 11 14.524 -3.844 -3.766 61 HB ILE 11 HB ILE 11 13.469 -2.253 -2.114 62 HG12 ILE 11 HG12 ILE 11 12.471 -4.891 -1.013 63 HG13 ILE 11 HG13 ILE 11 13.308 -3.604 -0.144 64 HG21 ILE 11 HG21 ILE 11 11.336 -2.437 -3.110 65 HG22 ILE 11 HG22 ILE 11 11.434 -4.195 -3.201 66 HG23 ILE 11 HG23 ILE 11 12.411 -3.202 -4.280 67 HD11 ILE 11 HD11 ILE 11 10.959 -3.447 0.405 68 HD12 ILE 11 HD12 ILE 11 10.509 -3.504 -1.300 69 HD13 ILE 11 HD13 ILE 11 11.353 -2.095 -0.657 70 H THR 12 H THR 12 16.441 -2.931 -3.337 71 HA THR 12 HA THR 12 17.616 -3.359 -0.654 72 HB THR 12 HB THR 12 19.772 -3.648 -1.647 73 HG1 THR 12 HG1 THR 12 19.542 -3.666 -4.160 74 HG21 THR 12 HG21 THR 12 19.152 -5.784 -1.986 75 HG22 THR 12 HG22 THR 12 18.775 -5.347 -3.652 76 HG23 THR 12 HG23 THR 12 17.515 -5.291 -2.420 77 H THR 13 H THR 13 16.123 -1.070 -2.132 78 HA THR 13 HA THR 13 17.967 1.053 -2.467 79 HB THR 13 HB THR 13 16.068 1.862 -3.359 80 HG1 THR 13 HG1 THR 13 15.583 2.149 -0.599 81 HG21 THR 13 HG21 THR 13 13.816 0.893 -2.711 82 HG22 THR 13 HG22 THR 13 14.678 -0.161 -1.590 83 HG23 THR 13 HG23 THR 13 14.983 -0.278 -3.323 84 H LYS 14 H LYS 14 15.825 0.207 0.260 85 HA LYS 14 HA LYS 14 16.759 2.281 1.957 86 HB2 LYS 14 HB2 LYS 14 15.555 -0.364 2.801 87 HB3 LYS 14 HB3 LYS 14 15.577 1.141 3.723 88 HG2 LYS 14 HG2 LYS 14 14.365 2.116 1.595 89 HG3 LYS 14 HG3 LYS 14 13.949 0.428 1.304 90 HD2 LYS 14 HD2 LYS 14 12.965 0.275 3.559 91 HD3 LYS 14 HD3 LYS 14 13.385 1.962 3.858 92 HE2 LYS 14 HE2 LYS 14 11.680 2.752 2.564 93 HE3 LYS 14 HE3 LYS 14 11.859 1.466 1.371 94 HZ1 LYS 14 HZ1 LYS 14 10.227 0.342 2.324 95 HZ2 LYS 14 HZ2 LYS 14 9.954 1.653 3.369 96 HZ3 LYS 14 HZ3 LYS 14 10.995 0.392 3.835 97 H ASP 15 H ASP 15 17.765 -1.051 1.425 98 HA ASP 15 HA ASP 15 19.577 -1.250 3.597 99 HB2 ASP 15 HB2 ASP 15 19.075 -2.699 1.068 100 HB3 ASP 15 HB3 ASP 15 20.697 -2.854 1.737 101 H LEU 16 H LEU 16 19.737 0.124 0.406 102 HA LEU 16 HA LEU 16 22.480 0.416 0.025 103 HB2 LEU 16 HB2 LEU 16 20.501 1.031 -1.531 104 HB3 LEU 16 HB3 LEU 16 20.509 2.579 -0.686 105 HG LEU 16 HG LEU 16 23.092 2.514 -1.193 106 HD11 LEU 16 HD11 LEU 16 23.834 1.017 -2.730 107 HD12 LEU 16 HD12 LEU 16 22.391 1.197 -3.729 108 HD13 LEU 16 HD13 LEU 16 22.371 0.112 -2.339 109 HD21 LEU 16 HD21 LEU 16 22.097 4.298 -2.233 110 HD22 LEU 16 HD22 LEU 16 20.756 3.326 -2.838 111 HD23 LEU 16 HD23 LEU 16 22.309 3.302 -3.673 112 H LYS 17 H LYS 17 20.261 2.060 2.127 113 HA LYS 17 HA LYS 17 21.602 4.419 2.718 114 HB2 LYS 17 HB2 LYS 17 20.009 2.607 4.539 115 HB3 LYS 17 HB3 LYS 17 20.523 4.237 4.974 116 HG2 LYS 17 HG2 LYS 17 19.279 5.170 3.090 117 HG3 LYS 17 HG3 LYS 17 18.828 3.550 2.555 118 HD2 LYS 17 HD2 LYS 17 17.478 3.183 4.493 119 HD3 LYS 17 HD3 LYS 17 18.137 4.605 5.304 120 HE2 LYS 17 HE2 LYS 17 17.143 6.024 3.485 121 HE3 LYS 17 HE3 LYS 17 16.364 4.576 2.847 122 HZ1 LYS 17 HZ1 LYS 17 15.265 6.187 4.668 123 HZ2 LYS 17 HZ2 LYS 17 15.994 5.035 5.682 124 HZ3 LYS 17 HZ3 LYS 17 14.873 4.545 4.503 125 H GLU 18 H GLU 18 22.092 1.192 4.070 126 HA GLU 18 HA GLU 18 24.084 1.947 5.952 127 HB2 GLU 18 HB2 GLU 18 22.669 -0.267 5.705 128 HB3 GLU 18 HB3 GLU 18 24.049 -0.784 4.736 129 HG2 GLU 18 HG2 GLU 18 24.129 0.216 7.598 130 HG3 GLU 18 HG3 GLU 18 24.419 -1.437 7.054 131 H LYS 19 H LYS 19 24.214 0.765 2.626 132 HA LYS 19 HA LYS 19 27.057 0.570 2.497 133 HB2 LYS 19 HB2 LYS 19 24.803 0.509 0.546 134 HB3 LYS 19 HB3 LYS 19 26.414 0.852 -0.082 135 HG2 LYS 19 HG2 LYS 19 27.255 -1.198 1.071 136 HG3 LYS 19 HG3 LYS 19 25.599 -1.563 1.561 137 HD2 LYS 19 HD2 LYS 19 24.994 -1.421 -0.925 138 HD3 LYS 19 HD3 LYS 19 26.729 -1.454 -1.242 139 HE2 LYS 19 HE2 LYS 19 26.075 -3.726 -1.364 140 HE3 LYS 19 HE3 LYS 19 26.770 -3.563 0.250 141 HZ1 LYS 19 HZ1 LYS 19 24.815 -4.570 0.763 142 HZ2 LYS 19 HZ2 LYS 19 23.976 -3.896 -0.551 143 HZ3 LYS 19 HZ3 LYS 19 24.295 -2.957 0.826 144 H LYS 20 H LYS 20 24.739 3.139 1.908 145 HA LYS 20 HA LYS 20 26.619 4.910 0.659 146 HB2 LYS 20 HB2 LYS 20 23.862 5.253 1.826 147 HB3 LYS 20 HB3 LYS 20 24.805 6.641 1.281 148 HG2 LYS 20 HG2 LYS 20 24.368 4.235 -0.490 149 HG3 LYS 20 HG3 LYS 20 23.213 5.566 -0.435 150 HD2 LYS 20 HD2 LYS 20 24.534 6.867 -1.715 151 HD3 LYS 20 HD3 LYS 20 25.928 6.566 -0.676 152 HE2 LYS 20 HE2 LYS 20 26.209 5.768 -3.060 153 HE3 LYS 20 HE3 LYS 20 26.446 4.519 -1.839 154 HZ1 LYS 20 HZ1 LYS 20 24.339 3.625 -2.252 155 HZ2 LYS 20 HZ2 LYS 20 24.982 3.934 -3.794 156 HZ3 LYS 20 HZ3 LYS 20 23.825 4.984 -3.127 157 H GLU 21 H GLU 21 25.624 4.181 3.908 158 HA GLU 21 HA GLU 21 26.633 6.502 5.184 159 HB2 GLU 21 HB2 GLU 21 25.939 3.725 6.091 160 HB3 GLU 21 HB3 GLU 21 26.726 4.852 7.196 161 HG2 GLU 21 HG2 GLU 21 24.240 5.581 5.638 162 HG3 GLU 21 HG3 GLU 21 24.172 4.849 7.240 163 H VAL 22 H VAL 22 28.056 3.290 4.568 164 HA VAL 22 HA VAL 22 30.483 3.737 5.924 165 HB VAL 22 HB VAL 22 31.373 1.972 4.278 166 HG11 VAL 22 HG11 VAL 22 30.634 1.350 6.489 167 HG12 VAL 22 HG12 VAL 22 29.923 0.205 5.353 168 HG13 VAL 22 HG13 VAL 22 28.941 1.508 6.024 169 HG21 VAL 22 HG21 VAL 22 29.584 0.769 3.045 170 HG22 VAL 22 HG22 VAL 22 29.786 2.422 2.462 171 HG23 VAL 22 HG23 VAL 22 28.435 2.018 3.523 172 H VAL 23 H VAL 23 29.393 4.701 2.744 173 HA VAL 23 HA VAL 23 31.787 5.251 1.462 174 HB VAL 23 HB VAL 23 29.173 6.770 1.379 175 HG11 VAL 23 HG11 VAL 23 31.778 7.343 0.192 176 HG12 VAL 23 HG12 VAL 23 30.322 8.338 0.227 177 HG13 VAL 23 HG13 VAL 23 30.530 7.122 -1.033 178 HG21 VAL 23 HG21 VAL 23 28.921 5.502 -0.757 179 HG22 VAL 23 HG22 VAL 23 29.019 4.438 0.645 180 HG23 VAL 23 HG23 VAL 23 30.424 4.650 -0.399 181 H GLU 24 H GLU 24 30.154 7.071 3.989 182 HA GLU 24 HA GLU 24 31.427 9.517 3.862 183 HB2 GLU 24 HB2 GLU 24 29.709 8.434 5.597 184 HB3 GLU 24 HB3 GLU 24 31.185 8.259 6.546 185 HG2 GLU 24 HG2 GLU 24 30.435 10.879 5.239 186 HG3 GLU 24 HG3 GLU 24 29.872 10.448 6.852 187 H GLU 25 H GLU 25 32.627 6.463 5.138 188 HA GLU 25 HA GLU 25 34.981 7.383 6.355 189 HB2 GLU 25 HB2 GLU 25 34.464 4.757 4.931 190 HB3 GLU 25 HB3 GLU 25 35.818 5.078 6.016 191 HG2 GLU 25 HG2 GLU 25 33.573 5.899 7.460 192 HG3 GLU 25 HG3 GLU 25 33.056 4.414 6.663 193 H ALA 26 H ALA 26 34.014 7.389 3.124 194 HA ALA 26 HA ALA 26 36.432 6.976 1.747 195 HB1 ALA 26 HB1 ALA 26 35.375 8.271 -0.080 196 HB2 ALA 26 HB2 ALA 26 34.091 8.750 1.030 197 HB3 ALA 26 HB3 ALA 26 34.288 7.054 0.587 198 H GLU 27 H GLU 27 34.990 9.929 3.041 199 HA GLU 27 HA GLU 27 36.926 11.736 2.105 200 HB2 GLU 27 HB2 GLU 27 34.652 12.236 3.186 201 HB3 GLU 27 HB3 GLU 27 35.486 12.059 4.729 202 HG2 GLU 27 HG2 GLU 27 37.174 13.753 3.903 203 HG3 GLU 27 HG3 GLU 27 36.116 14.032 2.521 204 H ASN 28 H ASN 28 36.806 9.750 5.011 205 HA ASN 28 HA ASN 28 39.172 10.910 6.164 206 HB2 ASN 28 HB2 ASN 28 38.549 9.776 8.001 207 HB3 ASN 28 HB3 ASN 28 37.092 9.346 7.111 208 HD21 ASN 28 HD21 ASN 28 36.984 7.181 6.162 209 HD22 ASN 28 HD22 ASN 28 38.073 5.964 6.626 Start of MODEL 6 1 H1 ACE 0 H1 ACE 0 26.002 -15.308 -14.303 2 H2 ACE 0 H2 ACE 0 26.227 -17.023 -14.647 3 H3 ACE 0 H3 ACE 0 27.618 -16.012 -14.252 4 H SER 1 H SER 1 24.408 -16.241 -12.735 5 HA SER 1 HA SER 1 23.807 -17.081 -10.652 6 HB2 SER 1 HB2 SER 1 25.254 -18.383 -9.392 7 HB3 SER 1 HB3 SER 1 25.937 -18.572 -11.004 8 HG SER 1 HG SER 1 27.646 -17.971 -9.835 9 H ASP 2 H ASP 2 26.989 -15.713 -9.943 10 HA ASP 2 HA ASP 2 26.283 -14.189 -7.763 11 HB2 ASP 2 HB2 ASP 2 28.217 -12.626 -8.860 12 HB3 ASP 2 HB3 ASP 2 28.540 -14.109 -7.964 13 H ALA 3 H ALA 3 25.933 -13.424 -11.174 14 HA ALA 3 HA ALA 3 25.408 -10.689 -11.019 15 HB1 ALA 3 HB1 ALA 3 24.296 -10.923 -13.151 16 HB2 ALA 3 HB2 ALA 3 24.063 -12.652 -12.886 17 HB3 ALA 3 HB3 ALA 3 25.687 -12.007 -13.129 18 H ALA 4 H ALA 4 23.517 -13.378 -9.965 19 HA ALA 4 HA ALA 4 20.924 -12.321 -10.080 20 HB1 ALA 4 HB1 ALA 4 21.905 -14.002 -7.781 21 HB2 ALA 4 HB2 ALA 4 21.696 -14.685 -9.393 22 HB3 ALA 4 HB3 ALA 4 20.314 -13.998 -8.542 23 H VAL 5 H VAL 5 23.545 -11.779 -7.810 24 HA VAL 5 HA VAL 5 22.139 -10.502 -5.756 25 HB VAL 5 HB VAL 5 24.970 -10.300 -6.757 26 HG11 VAL 5 HG11 VAL 5 23.558 -8.612 -4.700 27 HG12 VAL 5 HG12 VAL 5 24.696 -8.109 -5.949 28 HG13 VAL 5 HG13 VAL 5 25.274 -8.978 -4.529 29 HG21 VAL 5 HG21 VAL 5 23.679 -12.118 -5.157 30 HG22 VAL 5 HG22 VAL 5 24.318 -10.992 -3.959 31 HG23 VAL 5 HG23 VAL 5 25.411 -11.790 -5.089 32 H ASP 6 H ASP 6 23.426 -9.312 -8.824 33 HA ASP 6 HA ASP 6 22.980 -6.561 -8.392 34 HB2 ASP 6 HB2 ASP 6 24.144 -7.820 -10.389 35 HB3 ASP 6 HB3 ASP 6 22.523 -7.815 -11.082 36 H THR 7 H THR 7 20.955 -9.211 -9.471 37 HA THR 7 HA THR 7 18.647 -7.749 -10.167 38 HB THR 7 HB THR 7 18.481 -10.456 -8.883 39 HG1 THR 7 HG1 THR 7 20.340 -10.268 -10.358 40 HG21 THR 7 HG21 THR 7 16.810 -10.788 -10.656 41 HG22 THR 7 HG22 THR 7 17.190 -9.198 -11.320 42 HG23 THR 7 HG23 THR 7 16.448 -9.335 -9.727 43 H SER 8 H SER 8 19.908 -8.988 -7.117 44 HA SER 8 HA SER 8 17.666 -8.566 -5.478 45 HB2 SER 8 HB2 SER 8 20.508 -8.068 -4.596 46 HB3 SER 8 HB3 SER 8 19.161 -8.678 -3.639 47 HG SER 8 HG SER 8 20.851 -10.190 -4.616 48 H SER 9 H SER 9 19.803 -6.356 -7.011 49 HA SER 9 HA SER 9 19.704 -4.109 -5.385 50 HB2 SER 9 HB2 SER 9 21.017 -4.358 -7.511 51 HB3 SER 9 HB3 SER 9 19.521 -4.103 -8.406 52 HG SER 9 HG SER 9 20.609 -2.329 -6.469 53 H GLU 10 H GLU 10 17.208 -5.581 -7.298 54 HA GLU 10 HA GLU 10 15.452 -3.445 -7.672 55 HB2 GLU 10 HB2 GLU 10 15.357 -6.048 -8.317 56 HB3 GLU 10 HB3 GLU 10 14.280 -6.069 -6.919 57 HG2 GLU 10 HG2 GLU 10 13.087 -4.075 -7.982 58 HG3 GLU 10 HG3 GLU 10 14.012 -4.424 -9.443 59 H ILE 11 H ILE 11 15.967 -5.532 -4.880 60 HA ILE 11 HA ILE 11 14.130 -3.821 -3.321 61 HB ILE 11 HB ILE 11 15.117 -6.492 -2.359 62 HG12 ILE 11 HG12 ILE 11 14.193 -6.706 -4.729 63 HG13 ILE 11 HG13 ILE 11 13.368 -7.660 -3.498 64 HG21 ILE 11 HG21 ILE 11 12.485 -6.245 -1.670 65 HG22 ILE 11 HG22 ILE 11 12.985 -4.556 -1.682 66 HG23 ILE 11 HG23 ILE 11 13.825 -5.717 -0.656 67 HD11 ILE 11 HD11 ILE 11 11.487 -6.291 -3.496 68 HD12 ILE 11 HD12 ILE 11 11.965 -6.201 -5.190 69 HD13 ILE 11 HD13 ILE 11 12.379 -4.890 -4.086 70 H THR 12 H THR 12 15.091 -4.621 -0.772 71 HA THR 12 HA THR 12 16.579 -3.772 0.783 72 HB THR 12 HB THR 12 18.860 -4.578 0.494 73 HG1 THR 12 HG1 THR 12 18.010 -4.816 -2.182 74 HG21 THR 12 HG21 THR 12 17.897 -6.943 -0.658 75 HG22 THR 12 HG22 THR 12 16.488 -6.205 0.101 76 HG23 THR 12 HG23 THR 12 17.928 -6.548 1.059 77 H THR 13 H THR 13 15.821 -2.049 -1.595 78 HA THR 13 HA THR 13 18.023 -0.431 -2.314 79 HB THR 13 HB THR 13 15.430 0.941 -2.126 80 HG1 THR 13 HG1 THR 13 14.275 -0.605 -2.908 81 HG21 THR 13 HG21 THR 13 17.448 1.595 -3.508 82 HG22 THR 13 HG22 THR 13 15.937 1.491 -4.410 83 HG23 THR 13 HG23 THR 13 17.121 0.189 -4.520 84 H LYS 14 H LYS 14 15.621 -0.164 0.287 85 HA LYS 14 HA LYS 14 16.643 2.295 1.315 86 HB2 LYS 14 HB2 LYS 14 15.378 1.048 3.438 87 HB3 LYS 14 HB3 LYS 14 14.602 2.106 2.259 88 HG2 LYS 14 HG2 LYS 14 13.940 0.248 0.897 89 HG3 LYS 14 HG3 LYS 14 14.943 -0.868 1.822 90 HD2 LYS 14 HD2 LYS 14 13.546 -0.468 3.820 91 HD3 LYS 14 HD3 LYS 14 12.534 0.634 2.887 92 HE2 LYS 14 HE2 LYS 14 11.286 -1.242 2.517 93 HE3 LYS 14 HE3 LYS 14 12.494 -1.552 1.269 94 HZ1 LYS 14 HZ1 LYS 14 13.520 -2.441 3.709 95 HZ2 LYS 14 HZ2 LYS 14 13.087 -3.369 2.354 96 HZ3 LYS 14 HZ3 LYS 14 11.944 -3.055 3.571 97 H ASP 15 H ASP 15 17.230 -1.109 1.992 98 HA ASP 15 HA ASP 15 18.822 -0.768 4.312 99 HB2 ASP 15 HB2 ASP 15 18.282 -2.905 2.359 100 HB3 ASP 15 HB3 ASP 15 19.865 -2.990 3.131 101 H LEU 16 H LEU 16 19.424 -0.595 0.890 102 HA LEU 16 HA LEU 16 22.203 -0.698 0.785 103 HB2 LEU 16 HB2 LEU 16 20.120 -0.102 -0.983 104 HB3 LEU 16 HB3 LEU 16 21.121 1.352 -0.968 105 HG LEU 16 HG LEU 16 23.123 -0.296 -1.193 106 HD11 LEU 16 HD11 LEU 16 21.333 -2.225 -0.823 107 HD12 LEU 16 HD12 LEU 16 22.717 -2.467 -1.890 108 HD13 LEU 16 HD13 LEU 16 21.138 -2.065 -2.568 109 HD21 LEU 16 HD21 LEU 16 22.088 -0.579 -3.778 110 HD22 LEU 16 HD22 LEU 16 23.048 0.775 -3.181 111 HD23 LEU 16 HD23 LEU 16 21.287 0.859 -3.140 112 H LYS 17 H LYS 17 20.057 1.786 1.916 113 HA LYS 17 HA LYS 17 21.566 4.089 1.793 114 HB2 LYS 17 HB2 LYS 17 19.724 3.063 3.950 115 HB3 LYS 17 HB3 LYS 17 20.475 4.654 4.047 116 HG2 LYS 17 HG2 LYS 17 18.958 3.783 1.587 117 HG3 LYS 17 HG3 LYS 17 18.132 4.514 2.964 118 HD2 LYS 17 HD2 LYS 17 20.010 6.348 2.747 119 HD3 LYS 17 HD3 LYS 17 20.144 5.735 1.099 120 HE2 LYS 17 HE2 LYS 17 18.543 7.621 1.238 121 HE3 LYS 17 HE3 LYS 17 17.745 6.129 0.740 122 HZ1 LYS 17 HZ1 LYS 17 16.442 6.234 2.509 123 HZ2 LYS 17 HZ2 LYS 17 17.125 7.737 2.912 124 HZ3 LYS 17 HZ3 LYS 17 17.777 6.305 3.554 125 H GLU 18 H GLU 18 21.979 1.328 3.910 126 HA GLU 18 HA GLU 18 23.805 2.504 5.732 127 HB2 GLU 18 HB2 GLU 18 23.268 -0.347 4.904 128 HB3 GLU 18 HB3 GLU 18 24.490 0.067 6.106 129 HG2 GLU 18 HG2 GLU 18 22.553 -0.347 7.394 130 HG3 GLU 18 HG3 GLU 18 22.607 1.411 7.267 131 H LYS 19 H LYS 19 24.206 0.803 2.665 132 HA LYS 19 HA LYS 19 27.035 0.644 2.705 133 HB2 LYS 19 HB2 LYS 19 24.894 0.341 0.677 134 HB3 LYS 19 HB3 LYS 19 26.499 0.733 0.061 135 HG2 LYS 19 HG2 LYS 19 27.458 -1.171 1.263 136 HG3 LYS 19 HG3 LYS 19 25.883 -1.549 1.961 137 HD2 LYS 19 HD2 LYS 19 24.985 -1.845 -0.359 138 HD3 LYS 19 HD3 LYS 19 26.619 -1.615 -0.980 139 HE2 LYS 19 HE2 LYS 19 26.704 -3.892 -0.793 140 HE3 LYS 19 HE3 LYS 19 27.100 -3.520 0.884 141 HZ1 LYS 19 HZ1 LYS 19 24.539 -3.492 1.154 142 HZ2 LYS 19 HZ2 LYS 19 25.361 -4.978 1.114 143 HZ3 LYS 19 HZ3 LYS 19 24.548 -4.418 -0.267 144 H LYS 20 H LYS 20 24.804 3.025 1.281 145 HA LYS 20 HA LYS 20 26.815 4.699 0.188 146 HB2 LYS 20 HB2 LYS 20 23.909 4.897 0.731 147 HB3 LYS 20 HB3 LYS 20 24.779 6.428 0.637 148 HG2 LYS 20 HG2 LYS 20 25.534 5.990 -1.570 149 HG3 LYS 20 HG3 LYS 20 25.123 4.278 -1.455 150 HD2 LYS 20 HD2 LYS 20 22.753 5.794 -0.923 151 HD3 LYS 20 HD3 LYS 20 23.486 6.420 -2.401 152 HE2 LYS 20 HE2 LYS 20 21.890 4.512 -2.786 153 HE3 LYS 20 HE3 LYS 20 23.517 4.217 -3.398 154 HZ1 LYS 20 HZ1 LYS 20 24.027 2.946 -1.443 155 HZ2 LYS 20 HZ2 LYS 20 22.606 2.329 -2.141 156 HZ3 LYS 20 HZ3 LYS 20 22.520 3.307 -0.754 157 H GLU 21 H GLU 21 25.179 4.605 3.312 158 HA GLU 21 HA GLU 21 26.129 7.003 4.394 159 HB2 GLU 21 HB2 GLU 21 24.450 5.243 5.351 160 HB3 GLU 21 HB3 GLU 21 25.892 4.519 6.066 161 HG2 GLU 21 HG2 GLU 21 25.477 5.995 7.756 162 HG3 GLU 21 HG3 GLU 21 26.301 7.132 6.689 163 H VAL 22 H VAL 22 27.661 3.874 3.973 164 HA VAL 22 HA VAL 22 29.868 4.201 5.672 165 HB VAL 22 HB VAL 22 29.030 2.187 4.119 166 HG11 VAL 22 HG11 VAL 22 30.213 1.919 2.127 167 HG12 VAL 22 HG12 VAL 22 31.490 3.032 2.618 168 HG13 VAL 22 HG13 VAL 22 29.918 3.658 2.122 169 HG21 VAL 22 HG21 VAL 22 30.723 2.158 5.979 170 HG22 VAL 22 HG22 VAL 22 31.953 2.623 4.804 171 HG23 VAL 22 HG23 VAL 22 31.123 1.076 4.646 172 H VAL 23 H VAL 23 29.046 5.745 2.709 173 HA VAL 23 HA VAL 23 31.383 6.413 1.477 174 HB VAL 23 HB VAL 23 29.169 7.250 0.772 175 HG11 VAL 23 HG11 VAL 23 27.861 8.526 2.102 176 HG12 VAL 23 HG12 VAL 23 29.197 9.600 2.515 177 HG13 VAL 23 HG13 VAL 23 28.966 8.098 3.409 178 HG21 VAL 23 HG21 VAL 23 30.615 9.796 1.169 179 HG22 VAL 23 HG22 VAL 23 30.120 9.007 -0.327 180 HG23 VAL 23 HG23 VAL 23 31.594 8.495 0.493 181 H GLU 24 H GLU 24 30.427 7.236 4.685 182 HA GLU 24 HA GLU 24 31.881 9.527 5.226 183 HB2 GLU 24 HB2 GLU 24 31.152 7.115 6.839 184 HB3 GLU 24 HB3 GLU 24 32.294 8.270 7.521 185 HG2 GLU 24 HG2 GLU 24 30.323 9.209 8.270 186 HG3 GLU 24 HG3 GLU 24 30.441 10.024 6.714 187 H GLU 25 H GLU 25 32.999 6.210 4.853 188 HA GLU 25 HA GLU 25 35.605 6.435 5.808 189 HB2 GLU 25 HB2 GLU 25 34.424 4.820 3.550 190 HB3 GLU 25 HB3 GLU 25 36.131 4.708 3.977 191 HG2 GLU 25 HG2 GLU 25 34.092 4.469 6.157 192 HG3 GLU 25 HG3 GLU 25 34.356 3.089 5.092 193 H ALA 26 H ALA 26 34.097 7.960 3.164 194 HA ALA 26 HA ALA 26 36.271 8.363 1.413 195 HB1 ALA 26 HB1 ALA 26 34.956 10.328 0.616 196 HB2 ALA 26 HB2 ALA 26 33.844 10.084 1.962 197 HB3 ALA 26 HB3 ALA 26 34.000 8.849 0.714 198 H GLU 27 H GLU 27 35.538 9.686 4.505 199 HA GLU 27 HA GLU 27 36.891 12.159 4.351 200 HB2 GLU 27 HB2 GLU 27 36.901 12.116 6.763 201 HB3 GLU 27 HB3 GLU 27 35.372 11.430 6.214 202 HG2 GLU 27 HG2 GLU 27 36.542 9.144 6.356 203 HG3 GLU 27 HG3 GLU 27 37.795 9.975 7.276 204 H ASN 28 H ASN 28 38.039 8.949 4.299 205 HA ASN 28 HA ASN 28 40.703 9.656 5.284 206 HB2 ASN 28 HB2 ASN 28 40.143 7.537 6.054 207 HB3 ASN 28 HB3 ASN 28 39.311 7.103 4.563 208 HD21 ASN 28 HD21 ASN 28 42.606 8.493 4.911 209 HD22 ASN 28 HD22 ASN 28 43.399 7.173 4.197 Start of MODEL 7 1 H1 ACE 0 H1 ACE 0 0.727 10.720 -4.883 2 H2 ACE 0 H2 ACE 0 1.405 9.158 -5.345 3 H3 ACE 0 H3 ACE 0 1.720 10.584 -6.335 4 H SER 1 H SER 1 4.001 10.098 -6.068 5 HA SER 1 HA SER 1 6.056 10.202 -5.016 6 HB2 SER 1 HB2 SER 1 5.984 12.501 -5.209 7 HB3 SER 1 HB3 SER 1 4.527 12.644 -4.228 8 HG SER 1 HG SER 1 7.033 12.939 -3.470 9 H ASP 2 H ASP 2 4.801 11.784 -2.234 10 HA ASP 2 HA ASP 2 5.940 10.149 -0.345 11 HB2 ASP 2 HB2 ASP 2 3.455 11.073 0.714 12 HB3 ASP 2 HB3 ASP 2 5.070 11.722 0.986 13 H ALA 3 H ALA 3 2.910 9.710 -2.055 14 HA ALA 3 HA ALA 3 1.731 7.746 -0.438 15 HB1 ALA 3 HB1 ALA 3 1.501 7.498 -3.402 16 HB2 ALA 3 HB2 ALA 3 0.922 8.986 -2.654 17 HB3 ALA 3 HB3 ALA 3 0.245 7.433 -2.166 18 H ALA 4 H ALA 4 4.445 7.620 -2.572 19 HA ALA 4 HA ALA 4 4.544 4.884 -3.183 20 HB1 ALA 4 HB1 ALA 4 6.044 6.339 -4.327 21 HB2 ALA 4 HB2 ALA 4 7.055 5.298 -3.324 22 HB3 ALA 4 HB3 ALA 4 6.714 6.951 -2.814 23 H VAL 5 H VAL 5 4.819 6.452 -0.190 24 HA VAL 5 HA VAL 5 6.666 5.169 1.319 25 HB VAL 5 HB VAL 5 4.762 6.800 2.028 26 HG11 VAL 5 HG11 VAL 5 3.482 4.194 2.871 27 HG12 VAL 5 HG12 VAL 5 3.010 5.028 1.390 28 HG13 VAL 5 HG13 VAL 5 2.802 5.819 2.953 29 HG21 VAL 5 HG21 VAL 5 5.645 4.520 3.826 30 HG22 VAL 5 HG22 VAL 5 5.017 6.073 4.377 31 HG23 VAL 5 HG23 VAL 5 6.556 5.999 3.520 32 H ASP 6 H ASP 6 3.603 3.871 0.158 33 HA ASP 6 HA ASP 6 3.693 1.412 1.549 34 HB2 ASP 6 HB2 ASP 6 1.816 2.500 0.021 35 HB3 ASP 6 HB3 ASP 6 2.592 1.529 -1.231 36 H THR 7 H THR 7 5.049 2.527 -1.491 37 HA THR 7 HA THR 7 6.103 0.067 -2.398 38 HB THR 7 HB THR 7 7.237 2.832 -2.875 39 HG1 THR 7 HG1 THR 7 5.605 1.724 -4.764 40 HG21 THR 7 HG21 THR 7 7.485 0.146 -4.210 41 HG22 THR 7 HG22 THR 7 8.762 1.269 -3.741 42 HG23 THR 7 HG23 THR 7 7.735 1.631 -5.128 43 H SER 8 H SER 8 7.328 2.582 -0.238 44 HA SER 8 HA SER 8 9.983 1.855 0.017 45 HB2 SER 8 HB2 SER 8 8.154 3.455 1.468 46 HB3 SER 8 HB3 SER 8 8.926 2.389 2.639 47 HG SER 8 HG SER 8 10.945 3.038 1.508 48 H SER 9 H SER 9 7.237 -0.011 0.800 49 HA SER 9 HA SER 9 8.059 -1.576 2.940 50 HB2 SER 9 HB2 SER 9 6.430 -2.243 0.492 51 HB3 SER 9 HB3 SER 9 6.719 -3.421 1.767 52 HG SER 9 HG SER 9 5.996 -1.432 3.117 53 H GLU 10 H GLU 10 9.409 -1.333 -0.195 54 HA GLU 10 HA GLU 10 10.556 -3.919 -0.445 55 HB2 GLU 10 HB2 GLU 10 11.162 -1.222 -1.636 56 HB3 GLU 10 HB3 GLU 10 12.218 -2.601 -1.945 57 HG2 GLU 10 HG2 GLU 10 9.460 -3.392 -2.272 58 HG3 GLU 10 HG3 GLU 10 9.793 -1.970 -3.257 59 H ILE 11 H ILE 11 11.365 -1.110 1.398 60 HA ILE 11 HA ILE 11 13.123 -0.568 2.765 61 HB ILE 11 HB ILE 11 12.057 -2.473 3.973 62 HG12 ILE 11 HG12 ILE 11 15.071 -2.432 4.287 63 HG13 ILE 11 HG13 ILE 11 14.024 -1.127 4.846 64 HG21 ILE 11 HG21 ILE 11 12.408 -4.365 2.608 65 HG22 ILE 11 HG22 ILE 11 13.522 -4.608 3.950 66 HG23 ILE 11 HG23 ILE 11 14.124 -4.018 2.405 67 HD11 ILE 11 HD11 ILE 11 12.735 -2.869 6.165 68 HD12 ILE 11 HD12 ILE 11 14.385 -2.584 6.723 69 HD13 ILE 11 HD13 ILE 11 14.015 -4.014 5.759 70 H THR 12 H THR 12 13.706 -2.250 -0.040 71 HA THR 12 HA THR 12 16.427 -2.988 0.263 72 HB THR 12 HB THR 12 15.569 -2.082 -2.412 73 HG1 THR 12 HG1 THR 12 13.767 -3.125 -2.428 74 HG21 THR 12 HG21 THR 12 17.558 -3.613 -1.542 75 HG22 THR 12 HG22 THR 12 16.778 -3.929 -3.092 76 HG23 THR 12 HG23 THR 12 16.332 -4.875 -1.672 77 H THR 13 H THR 13 14.805 0.016 -0.531 78 HA THR 13 HA THR 13 17.100 1.417 -1.450 79 HB THR 13 HB THR 13 15.664 3.144 -1.725 80 HG1 THR 13 HG1 THR 13 14.444 2.644 0.774 81 HG21 THR 13 HG21 THR 13 13.401 2.478 -1.966 82 HG22 THR 13 HG22 THR 13 13.522 1.309 -0.650 83 HG23 THR 13 HG23 THR 13 14.329 0.996 -2.186 84 H LYS 14 H LYS 14 15.762 0.728 1.710 85 HA LYS 14 HA LYS 14 17.392 2.620 3.119 86 HB2 LYS 14 HB2 LYS 14 15.187 1.179 3.807 87 HB3 LYS 14 HB3 LYS 14 16.455 0.224 4.578 88 HG2 LYS 14 HG2 LYS 14 17.333 2.552 5.405 89 HG3 LYS 14 HG3 LYS 14 15.689 3.089 5.063 90 HD2 LYS 14 HD2 LYS 14 15.531 2.413 7.300 91 HD3 LYS 14 HD3 LYS 14 14.982 0.977 6.435 92 HE2 LYS 14 HE2 LYS 14 17.028 -0.150 6.761 93 HE3 LYS 14 HE3 LYS 14 17.892 1.339 7.140 94 HZ1 LYS 14 HZ1 LYS 14 16.050 -0.217 8.823 95 HZ2 LYS 14 HZ2 LYS 14 16.219 1.452 9.092 96 HZ3 LYS 14 HZ3 LYS 14 17.570 0.428 9.207 97 H ASP 15 H ASP 15 17.594 -0.822 2.354 98 HA ASP 15 HA ASP 15 19.912 -1.459 3.816 99 HB2 ASP 15 HB2 ASP 15 18.430 -2.584 1.537 100 HB3 ASP 15 HB3 ASP 15 20.153 -2.949 1.521 101 H LEU 16 H LEU 16 19.368 0.031 0.698 102 HA LEU 16 HA LEU 16 21.965 0.109 -0.326 103 HB2 LEU 16 HB2 LEU 16 19.771 0.847 -1.434 104 HB3 LEU 16 HB3 LEU 16 19.976 2.371 -0.570 105 HG LEU 16 HG LEU 16 22.421 1.506 -1.942 106 HD11 LEU 16 HD11 LEU 16 21.362 2.341 -4.183 107 HD12 LEU 16 HD12 LEU 16 19.839 1.836 -3.451 108 HD13 LEU 16 HD13 LEU 16 21.127 0.661 -3.705 109 HD21 LEU 16 HD21 LEU 16 20.699 4.001 -1.919 110 HD22 LEU 16 HD22 LEU 16 22.239 3.881 -2.770 111 HD23 LEU 16 HD23 LEU 16 22.188 3.731 -1.014 112 H LYS 17 H LYS 17 20.396 1.946 2.182 113 HA LYS 17 HA LYS 17 22.099 4.152 2.388 114 HB2 LYS 17 HB2 LYS 17 19.937 3.736 3.657 115 HB3 LYS 17 HB3 LYS 17 20.879 2.717 4.747 116 HG2 LYS 17 HG2 LYS 17 22.318 5.154 4.393 117 HG3 LYS 17 HG3 LYS 17 20.642 5.571 4.753 118 HD2 LYS 17 HD2 LYS 17 22.244 3.567 6.362 119 HD3 LYS 17 HD3 LYS 17 22.105 5.272 6.794 120 HE2 LYS 17 HE2 LYS 17 19.518 4.016 6.210 121 HE3 LYS 17 HE3 LYS 17 20.353 3.282 7.580 122 HZ1 LYS 17 HZ1 LYS 17 20.364 6.188 7.466 123 HZ2 LYS 17 HZ2 LYS 17 20.194 5.152 8.801 124 HZ3 LYS 17 HZ3 LYS 17 18.865 5.463 7.790 125 H GLU 18 H GLU 18 22.401 0.891 3.693 126 HA GLU 18 HA GLU 18 24.645 1.257 5.326 127 HB2 GLU 18 HB2 GLU 18 23.078 -0.867 4.713 128 HB3 GLU 18 HB3 GLU 18 24.523 -1.266 3.784 129 HG2 GLU 18 HG2 GLU 18 24.701 -2.211 6.034 130 HG3 GLU 18 HG3 GLU 18 25.901 -0.938 5.824 131 H LYS 19 H LYS 19 24.377 0.620 1.866 132 HA LYS 19 HA LYS 19 27.201 0.394 1.417 133 HB2 LYS 19 HB2 LYS 19 26.016 -0.655 -0.269 134 HB3 LYS 19 HB3 LYS 19 24.750 0.570 -0.287 135 HG2 LYS 19 HG2 LYS 19 26.032 2.064 -1.565 136 HG3 LYS 19 HG3 LYS 19 27.551 1.275 -1.136 137 HD2 LYS 19 HD2 LYS 19 27.135 -0.564 -2.570 138 HD3 LYS 19 HD3 LYS 19 25.423 -0.167 -2.718 139 HE2 LYS 19 HE2 LYS 19 25.793 1.414 -4.324 140 HE3 LYS 19 HE3 LYS 19 27.298 1.957 -3.582 141 HZ1 LYS 19 HZ1 LYS 19 28.272 0.857 -5.241 142 HZ2 LYS 19 HZ2 LYS 19 26.869 -0.018 -5.628 143 HZ3 LYS 19 HZ3 LYS 19 27.892 -0.554 -4.381 144 H LYS 20 H LYS 20 24.812 2.980 1.200 145 HA LYS 20 HA LYS 20 26.592 4.913 0.069 146 HB2 LYS 20 HB2 LYS 20 23.980 4.908 0.180 147 HB3 LYS 20 HB3 LYS 20 24.222 5.636 1.768 148 HG2 LYS 20 HG2 LYS 20 25.931 7.150 0.338 149 HG3 LYS 20 HG3 LYS 20 24.772 6.756 -0.932 150 HD2 LYS 20 HD2 LYS 20 22.932 7.503 0.606 151 HD3 LYS 20 HD3 LYS 20 24.168 8.051 1.739 152 HE2 LYS 20 HE2 LYS 20 23.203 9.786 0.071 153 HE3 LYS 20 HE3 LYS 20 24.954 9.714 0.267 154 HZ1 LYS 20 HZ1 LYS 20 24.099 9.746 -2.085 155 HZ2 LYS 20 HZ2 LYS 20 23.523 8.171 -1.815 156 HZ3 LYS 20 HZ3 LYS 20 25.186 8.499 -1.711 157 H GLU 21 H GLU 21 25.827 3.781 3.262 158 HA GLU 21 HA GLU 21 26.828 5.904 4.805 159 HB2 GLU 21 HB2 GLU 21 25.453 4.021 5.676 160 HB3 GLU 21 HB3 GLU 21 26.844 2.955 5.482 161 HG2 GLU 21 HG2 GLU 21 27.972 5.009 6.875 162 HG3 GLU 21 HG3 GLU 21 26.332 5.033 7.521 163 H VAL 22 H VAL 22 28.448 3.041 3.446 164 HA VAL 22 HA VAL 22 30.925 3.373 4.724 165 HB VAL 22 HB VAL 22 31.835 1.920 3.041 166 HG11 VAL 22 HG11 VAL 22 28.921 1.155 3.335 167 HG12 VAL 22 HG12 VAL 22 30.073 1.051 4.668 168 HG13 VAL 22 HG13 VAL 22 30.314 0.078 3.216 169 HG21 VAL 22 HG21 VAL 22 29.937 3.294 1.356 170 HG22 VAL 22 HG22 VAL 22 29.686 1.555 1.226 171 HG23 VAL 22 HG23 VAL 22 31.271 2.245 0.882 172 H VAL 23 H VAL 23 29.532 5.057 1.994 173 HA VAL 23 HA VAL 23 31.862 6.091 0.821 174 HB VAL 23 HB VAL 23 29.116 7.345 1.043 175 HG11 VAL 23 HG11 VAL 23 30.489 8.082 -1.334 176 HG12 VAL 23 HG12 VAL 23 31.599 8.363 0.006 177 HG13 VAL 23 HG13 VAL 23 30.012 9.129 0.001 178 HG21 VAL 23 HG21 VAL 23 28.712 5.419 -0.166 179 HG22 VAL 23 HG22 VAL 23 30.381 5.293 -0.718 180 HG23 VAL 23 HG23 VAL 23 29.287 6.449 -1.478 181 H GLU 24 H GLU 24 30.006 7.200 3.604 182 HA GLU 24 HA GLU 24 31.189 9.711 3.948 183 HB2 GLU 24 HB2 GLU 24 29.492 7.974 5.446 184 HB3 GLU 24 HB3 GLU 24 30.775 8.544 6.513 185 HG2 GLU 24 HG2 GLU 24 30.273 10.851 5.998 186 HG3 GLU 24 HG3 GLU 24 29.136 10.372 4.738 187 H GLU 25 H GLU 25 32.276 6.498 4.885 188 HA GLU 25 HA GLU 25 34.440 7.214 6.521 189 HB2 GLU 25 HB2 GLU 25 34.417 4.876 4.603 190 HB3 GLU 25 HB3 GLU 25 35.267 5.002 6.144 191 HG2 GLU 25 HG2 GLU 25 33.170 5.023 7.362 192 HG3 GLU 25 HG3 GLU 25 32.251 5.084 5.859 193 H ALA 26 H ALA 26 33.891 7.736 3.220 194 HA ALA 26 HA ALA 26 36.455 7.562 2.106 195 HB1 ALA 26 HB1 ALA 26 34.351 7.925 0.820 196 HB2 ALA 26 HB2 ALA 26 35.639 9.045 0.374 197 HB3 ALA 26 HB3 ALA 26 34.321 9.586 1.414 198 H GLU 27 H GLU 27 34.876 10.252 3.764 199 HA GLU 27 HA GLU 27 37.016 12.095 3.411 200 HB2 GLU 27 HB2 GLU 27 34.859 12.077 5.533 201 HB3 GLU 27 HB3 GLU 27 35.862 13.453 5.078 202 HG2 GLU 27 HG2 GLU 27 34.428 13.964 3.426 203 HG3 GLU 27 HG3 GLU 27 34.702 12.384 2.695 204 H ASN 28 H ASN 28 37.157 9.268 4.956 205 HA ASN 28 HA ASN 28 38.952 10.312 7.066 206 HB2 ASN 28 HB2 ASN 28 37.545 7.646 7.171 207 HB3 ASN 28 HB3 ASN 28 38.353 8.504 8.482 208 HD21 ASN 28 HD21 ASN 28 37.258 10.438 9.367 209 HD22 ASN 28 HD22 ASN 28 35.593 10.664 9.127 Start of MODEL 8 1 H1 ACE 0 H1 ACE 0 0.093 -10.633 -5.363 2 H2 ACE 0 H2 ACE 0 1.625 -10.740 -6.231 3 H3 ACE 0 H3 ACE 0 0.211 -10.044 -7.021 4 H SER 1 H SER 1 2.103 -8.369 -7.267 5 HA SER 1 HA SER 1 3.170 -6.424 -6.570 6 HB2 SER 1 HB2 SER 1 0.533 -6.062 -7.080 7 HB3 SER 1 HB3 SER 1 0.627 -5.434 -5.439 8 HG SER 1 HG SER 1 2.360 -4.111 -6.149 9 H ASP 2 H ASP 2 0.699 -6.372 -4.053 10 HA ASP 2 HA ASP 2 2.362 -5.504 -2.007 11 HB2 ASP 2 HB2 ASP 2 0.022 -7.355 -1.552 12 HB3 ASP 2 HB3 ASP 2 0.619 -6.073 -0.499 13 H ALA 3 H ALA 3 1.668 -8.765 -3.137 14 HA ALA 3 HA ALA 3 2.753 -10.310 -1.115 15 HB1 ALA 3 HB1 ALA 3 3.325 -10.947 -3.997 16 HB2 ALA 3 HB2 ALA 3 1.671 -10.999 -3.385 17 HB3 ALA 3 HB3 ALA 3 2.907 -12.042 -2.680 18 H ALA 4 H ALA 4 4.343 -8.262 -3.442 19 HA ALA 4 HA ALA 4 6.917 -9.201 -3.541 20 HB1 ALA 4 HB1 ALA 4 6.359 -7.224 -4.764 21 HB2 ALA 4 HB2 ALA 4 7.606 -6.759 -3.606 22 HB3 ALA 4 HB3 ALA 4 5.917 -6.359 -3.292 23 H VAL 5 H VAL 5 5.212 -8.008 -0.801 24 HA VAL 5 HA VAL 5 7.176 -7.095 0.889 25 HB VAL 5 HB VAL 5 4.635 -8.623 1.355 26 HG11 VAL 5 HG11 VAL 5 5.757 -9.486 3.189 27 HG12 VAL 5 HG12 VAL 5 5.221 -7.945 3.860 28 HG13 VAL 5 HG13 VAL 5 6.876 -8.126 3.277 29 HG21 VAL 5 HG21 VAL 5 5.486 -5.945 2.460 30 HG22 VAL 5 HG22 VAL 5 3.853 -6.548 2.175 31 HG23 VAL 5 HG23 VAL 5 4.874 -6.089 0.812 32 H ASP 6 H ASP 6 6.312 -10.398 0.020 33 HA ASP 6 HA ASP 6 7.928 -11.748 1.886 34 HB2 ASP 6 HB2 ASP 6 6.354 -12.434 -0.397 35 HB3 ASP 6 HB3 ASP 6 7.941 -13.179 -0.585 36 H THR 7 H THR 7 8.596 -10.362 -1.284 37 HA THR 7 HA THR 7 11.233 -11.330 -1.577 38 HB THR 7 HB THR 7 10.004 -8.758 -2.610 39 HG1 THR 7 HG1 THR 7 8.978 -10.374 -3.594 40 HG21 THR 7 HG21 THR 7 12.344 -8.444 -2.719 41 HG22 THR 7 HG22 THR 7 11.910 -9.053 -4.316 42 HG23 THR 7 HG23 THR 7 12.635 -10.134 -3.126 43 H SER 8 H SER 8 9.817 -8.611 0.153 44 HA SER 8 HA SER 8 11.973 -7.026 0.741 45 HB2 SER 8 HB2 SER 8 10.169 -7.927 2.970 46 HB3 SER 8 HB3 SER 8 10.849 -6.330 2.675 47 HG SER 8 HG SER 8 9.205 -5.906 1.446 48 H SER 9 H SER 9 11.356 -10.284 1.829 49 HA SER 9 HA SER 9 13.103 -10.509 3.982 50 HB2 SER 9 HB2 SER 9 12.886 -12.794 3.738 51 HB3 SER 9 HB3 SER 9 11.500 -12.255 2.797 52 HG SER 9 HG SER 9 14.087 -12.749 1.733 53 H GLU 10 H GLU 10 13.767 -10.873 0.506 54 HA GLU 10 HA GLU 10 16.519 -11.470 0.744 55 HB2 GLU 10 HB2 GLU 10 15.165 -9.995 -1.526 56 HB3 GLU 10 HB3 GLU 10 16.667 -10.918 -1.603 57 HG2 GLU 10 HG2 GLU 10 14.495 -12.509 -0.495 58 HG3 GLU 10 HG3 GLU 10 14.095 -11.898 -2.100 59 H ILE 11 H ILE 11 14.794 -8.682 1.457 60 HA ILE 11 HA ILE 11 15.336 -6.446 1.685 61 HB ILE 11 HB ILE 11 17.387 -6.163 3.121 62 HG12 ILE 11 HG12 ILE 11 17.501 -9.187 2.902 63 HG13 ILE 11 HG13 ILE 11 18.633 -8.094 2.103 64 HG21 ILE 11 HG21 ILE 11 16.358 -7.172 5.024 65 HG22 ILE 11 HG22 ILE 11 15.614 -8.434 4.042 66 HG23 ILE 11 HG23 ILE 11 15.036 -6.772 3.927 67 HD11 ILE 11 HD11 ILE 11 18.138 -8.083 5.092 68 HD12 ILE 11 HD12 ILE 11 19.418 -7.243 4.215 69 HD13 ILE 11 HD13 ILE 11 19.435 -9.003 4.328 70 H THR 12 H THR 12 17.529 -4.981 1.708 71 HA THR 12 HA THR 12 19.616 -4.653 0.414 72 HB THR 12 HB THR 12 17.842 -5.545 -1.875 73 HG1 THR 12 HG1 THR 12 18.798 -7.388 -1.606 74 HG21 THR 12 HG21 THR 12 19.199 -3.868 -2.786 75 HG22 THR 12 HG22 THR 12 20.153 -5.326 -3.061 76 HG23 THR 12 HG23 THR 12 20.552 -4.251 -1.722 77 H THR 13 H THR 13 16.488 -3.617 0.699 78 HA THR 13 HA THR 13 16.642 -1.297 -1.021 79 HB THR 13 HB THR 13 14.651 -1.022 1.029 80 HG1 THR 13 HG1 THR 13 14.289 -3.399 -0.387 81 HG21 THR 13 HG21 THR 13 14.511 -0.109 -1.248 82 HG22 THR 13 HG22 THR 13 13.140 -1.170 -0.922 83 HG23 THR 13 HG23 THR 13 14.483 -1.744 -1.910 84 H LYS 14 H LYS 14 16.723 -1.910 2.478 85 HA LYS 14 HA LYS 14 17.320 0.817 3.146 86 HB2 LYS 14 HB2 LYS 14 16.548 -1.511 4.534 87 HB3 LYS 14 HB3 LYS 14 18.134 -1.078 5.173 88 HG2 LYS 14 HG2 LYS 14 17.403 1.108 5.784 89 HG3 LYS 14 HG3 LYS 14 15.918 0.952 4.844 90 HD2 LYS 14 HD2 LYS 14 16.473 -1.008 7.050 91 HD3 LYS 14 HD3 LYS 14 15.850 0.593 7.451 92 HE2 LYS 14 HE2 LYS 14 14.577 -1.442 5.602 93 HE3 LYS 14 HE3 LYS 14 13.961 -0.896 7.162 94 HZ1 LYS 14 HZ1 LYS 14 12.805 0.278 5.475 95 HZ2 LYS 14 HZ2 LYS 14 14.245 0.703 4.680 96 HZ3 LYS 14 HZ3 LYS 14 13.877 1.377 6.195 97 H ASP 15 H ASP 15 19.160 -2.098 2.530 98 HA ASP 15 HA ASP 15 21.651 -1.348 3.559 99 HB2 ASP 15 HB2 ASP 15 20.944 -3.016 1.147 100 HB3 ASP 15 HB3 ASP 15 22.568 -2.892 1.821 101 H LEU 16 H LEU 16 20.066 -0.589 0.516 102 HA LEU 16 HA LEU 16 22.176 0.517 -0.915 103 HB2 LEU 16 HB2 LEU 16 19.495 0.239 -1.330 104 HB3 LEU 16 HB3 LEU 16 19.608 1.977 -1.060 105 HG LEU 16 HG LEU 16 21.668 1.772 -2.717 106 HD11 LEU 16 HD11 LEU 16 21.026 -0.840 -2.687 107 HD12 LEU 16 HD12 LEU 16 21.710 -0.058 -4.112 108 HD13 LEU 16 HD13 LEU 16 19.969 -0.317 -3.998 109 HD21 LEU 16 HD21 LEU 16 18.720 1.928 -3.266 110 HD22 LEU 16 HD22 LEU 16 19.841 1.917 -4.627 111 HD23 LEU 16 HD23 LEU 16 19.949 3.186 -3.408 112 H LYS 17 H LYS 17 20.325 1.745 1.766 113 HA LYS 17 HA LYS 17 21.195 4.469 1.563 114 HB2 LYS 17 HB2 LYS 17 20.102 2.924 3.926 115 HB3 LYS 17 HB3 LYS 17 20.358 4.668 3.892 116 HG2 LYS 17 HG2 LYS 17 18.578 3.151 1.960 117 HG3 LYS 17 HG3 LYS 17 18.002 4.046 3.367 118 HD2 LYS 17 HD2 LYS 17 19.622 5.894 2.110 119 HD3 LYS 17 HD3 LYS 17 18.880 5.048 0.751 120 HE2 LYS 17 HE2 LYS 17 17.437 6.373 3.065 121 HE3 LYS 17 HE3 LYS 17 17.448 6.910 1.385 122 HZ1 LYS 17 HZ1 LYS 17 16.639 4.352 1.169 123 HZ2 LYS 17 HZ2 LYS 17 15.598 5.695 1.222 124 HZ3 LYS 17 HZ3 LYS 17 15.920 4.809 2.635 125 H GLU 18 H GLU 18 22.431 1.581 3.110 126 HA GLU 18 HA GLU 18 24.314 2.771 4.828 127 HB2 GLU 18 HB2 GLU 18 23.536 0.218 4.380 128 HB3 GLU 18 HB3 GLU 18 25.085 0.220 3.535 129 HG2 GLU 18 HG2 GLU 18 25.579 -0.393 5.791 130 HG3 GLU 18 HG3 GLU 18 26.076 1.290 5.629 131 H LYS 19 H LYS 19 24.385 2.021 1.399 132 HA LYS 19 HA LYS 19 27.155 2.374 0.971 133 HB2 LYS 19 HB2 LYS 19 24.720 2.609 -0.785 134 HB3 LYS 19 HB3 LYS 19 26.311 3.047 -1.402 135 HG2 LYS 19 HG2 LYS 19 26.897 0.646 -0.274 136 HG3 LYS 19 HG3 LYS 19 25.215 0.372 -0.728 137 HD2 LYS 19 HD2 LYS 19 27.367 1.406 -2.598 138 HD3 LYS 19 HD3 LYS 19 26.788 -0.259 -2.548 139 HE2 LYS 19 HE2 LYS 19 24.666 0.317 -3.365 140 HE3 LYS 19 HE3 LYS 19 24.844 2.010 -2.903 141 HZ1 LYS 19 HZ1 LYS 19 26.590 2.214 -4.594 142 HZ2 LYS 19 HZ2 LYS 19 25.090 1.783 -5.267 143 HZ3 LYS 19 HZ3 LYS 19 26.306 0.613 -5.077 144 H LYS 20 H LYS 20 24.434 4.652 0.956 145 HA LYS 20 HA LYS 20 25.996 6.905 0.156 146 HB2 LYS 20 HB2 LYS 20 23.310 6.625 1.508 147 HB3 LYS 20 HB3 LYS 20 24.033 8.201 1.185 148 HG2 LYS 20 HG2 LYS 20 22.809 7.909 -0.764 149 HG3 LYS 20 HG3 LYS 20 24.343 7.188 -1.250 150 HD2 LYS 20 HD2 LYS 20 23.234 5.011 -0.173 151 HD3 LYS 20 HD3 LYS 20 21.749 5.862 -0.596 152 HE2 LYS 20 HE2 LYS 20 24.027 5.255 -2.502 153 HE3 LYS 20 HE3 LYS 20 22.488 4.396 -2.442 154 HZ1 LYS 20 HZ1 LYS 20 22.751 7.312 -2.924 155 HZ2 LYS 20 HZ2 LYS 20 21.334 6.382 -3.030 156 HZ3 LYS 20 HZ3 LYS 20 22.587 6.157 -4.154 157 H GLU 21 H GLU 21 24.782 5.812 3.323 158 HA GLU 21 HA GLU 21 26.079 7.827 4.834 159 HB2 GLU 21 HB2 GLU 21 24.674 5.289 5.370 160 HB3 GLU 21 HB3 GLU 21 25.899 5.718 6.566 161 HG2 GLU 21 HG2 GLU 21 24.038 7.867 5.645 162 HG3 GLU 21 HG3 GLU 21 23.404 6.645 6.747 163 H VAL 22 H VAL 22 27.057 4.649 3.685 164 HA VAL 22 HA VAL 22 29.414 4.337 5.178 165 HB VAL 22 HB VAL 22 28.463 3.294 2.529 166 HG11 VAL 22 HG11 VAL 22 31.230 3.223 3.675 167 HG12 VAL 22 HG12 VAL 22 30.720 3.320 1.990 168 HG13 VAL 22 HG13 VAL 22 30.620 1.786 2.854 169 HG21 VAL 22 HG21 VAL 22 27.981 1.403 3.730 170 HG22 VAL 22 HG22 VAL 22 27.959 2.533 5.085 171 HG23 VAL 22 HG23 VAL 22 29.403 1.573 4.759 172 H VAL 23 H VAL 23 28.755 6.149 2.224 173 HA VAL 23 HA VAL 23 31.263 6.605 1.211 174 HB VAL 23 HB VAL 23 28.910 8.474 1.481 175 HG11 VAL 23 HG11 VAL 23 30.470 10.122 1.173 176 HG12 VAL 23 HG12 VAL 23 30.393 9.576 -0.502 177 HG13 VAL 23 HG13 VAL 23 31.682 9.000 0.555 178 HG21 VAL 23 HG21 VAL 23 30.121 7.227 -0.994 179 HG22 VAL 23 HG22 VAL 23 28.510 7.917 -0.799 180 HG23 VAL 23 HG23 VAL 23 28.913 6.386 -0.024 181 H GLU 24 H GLU 24 29.912 7.814 4.189 182 HA GLU 24 HA GLU 24 31.671 9.946 4.683 183 HB2 GLU 24 HB2 GLU 24 29.909 8.211 6.304 184 HB3 GLU 24 HB3 GLU 24 31.223 9.004 7.176 185 HG2 GLU 24 HG2 GLU 24 29.452 10.541 5.277 186 HG3 GLU 24 HG3 GLU 24 28.988 10.293 6.959 187 H GLU 25 H GLU 25 31.995 6.478 5.225 188 HA GLU 25 HA GLU 25 34.350 6.505 6.756 189 HB2 GLU 25 HB2 GLU 25 32.705 4.543 5.903 190 HB3 GLU 25 HB3 GLU 25 34.039 4.325 4.769 191 HG2 GLU 25 HG2 GLU 25 35.623 4.279 6.698 192 HG3 GLU 25 HG3 GLU 25 34.245 4.379 7.794 193 H ALA 26 H ALA 26 33.795 7.420 3.546 194 HA ALA 26 HA ALA 26 36.223 6.720 2.293 195 HB1 ALA 26 HB1 ALA 26 35.681 8.409 0.659 196 HB2 ALA 26 HB2 ALA 26 34.577 9.206 1.779 197 HB3 ALA 26 HB3 ALA 26 34.182 7.611 1.138 198 H GLU 27 H GLU 27 35.412 9.211 4.585 199 HA GLU 27 HA GLU 27 37.350 11.124 4.224 200 HB2 GLU 27 HB2 GLU 27 37.234 11.539 6.624 201 HB3 GLU 27 HB3 GLU 27 35.620 11.173 6.012 202 HG2 GLU 27 HG2 GLU 27 35.771 8.890 6.805 203 HG3 GLU 27 HG3 GLU 27 37.457 9.116 7.265 204 H ASN 28 H ASN 28 37.878 7.852 4.588 205 HA ASN 28 HA ASN 28 40.698 8.328 5.348 206 HB2 ASN 28 HB2 ASN 28 39.400 7.208 7.178 207 HB3 ASN 28 HB3 ASN 28 39.093 5.869 6.072 208 HD21 ASN 28 HD21 ASN 28 41.317 5.106 4.939 209 HD22 ASN 28 HD22 ASN 28 42.615 4.909 6.015 Start of MODEL 9 1 H1 ACE 0 H1 ACE 0 15.632 -22.427 -6.823 2 H2 ACE 0 H2 ACE 0 14.366 -21.221 -7.052 3 H3 ACE 0 H3 ACE 0 13.972 -22.791 -6.351 4 H SER 1 H SER 1 15.203 -23.314 -4.286 5 HA SER 1 HA SER 1 14.605 -21.527 -2.270 6 HB2 SER 1 HB2 SER 1 15.063 -23.612 -1.418 7 HB3 SER 1 HB3 SER 1 16.431 -23.867 -2.497 8 HG SER 1 HG SER 1 16.946 -23.455 -0.230 9 H ASP 2 H ASP 2 17.876 -22.178 -3.486 10 HA ASP 2 HA ASP 2 19.128 -20.022 -2.191 11 HB2 ASP 2 HB2 ASP 2 20.316 -20.690 -4.773 12 HB3 ASP 2 HB3 ASP 2 20.988 -20.847 -3.150 13 H ALA 3 H ALA 3 17.536 -20.257 -5.335 14 HA ALA 3 HA ALA 3 18.352 -17.862 -6.490 15 HB1 ALA 3 HB1 ALA 3 15.870 -19.524 -6.715 16 HB2 ALA 3 HB2 ALA 3 17.110 -19.196 -7.924 17 HB3 ALA 3 HB3 ALA 3 15.933 -17.951 -7.508 18 H ALA 4 H ALA 4 16.176 -18.413 -3.840 19 HA ALA 4 HA ALA 4 14.550 -16.209 -3.802 20 HB1 ALA 4 HB1 ALA 4 14.462 -17.902 -2.056 21 HB2 ALA 4 HB2 ALA 4 14.688 -16.315 -1.321 22 HB3 ALA 4 HB3 ALA 4 16.054 -17.420 -1.470 23 H VAL 5 H VAL 5 17.978 -16.279 -3.604 24 HA VAL 5 HA VAL 5 18.641 -14.005 -2.200 25 HB VAL 5 HB VAL 5 20.315 -15.520 -3.166 26 HG11 VAL 5 HG11 VAL 5 19.516 -14.260 -5.807 27 HG12 VAL 5 HG12 VAL 5 19.144 -15.914 -5.318 28 HG13 VAL 5 HG13 VAL 5 20.820 -15.423 -5.567 29 HG21 VAL 5 HG21 VAL 5 21.089 -13.073 -4.587 30 HG22 VAL 5 HG22 VAL 5 21.838 -13.839 -3.186 31 HG23 VAL 5 HG23 VAL 5 20.464 -12.756 -2.969 32 H ASP 6 H ASP 6 17.368 -14.304 -5.481 33 HA ASP 6 HA ASP 6 17.705 -11.644 -6.311 34 HB2 ASP 6 HB2 ASP 6 15.602 -12.127 -7.703 35 HB3 ASP 6 HB3 ASP 6 16.984 -13.191 -7.961 36 H THR 7 H THR 7 15.225 -13.230 -4.386 37 HA THR 7 HA THR 7 13.467 -11.028 -4.120 38 HB THR 7 HB THR 7 13.980 -13.250 -2.122 39 HG1 THR 7 HG1 THR 7 13.047 -13.346 -4.590 40 HG21 THR 7 HG21 THR 7 11.607 -11.426 -2.592 41 HG22 THR 7 HG22 THR 7 12.699 -11.374 -1.208 42 HG23 THR 7 HG23 THR 7 11.646 -12.768 -1.447 43 H SER 8 H SER 8 16.372 -12.071 -2.428 44 HA SER 8 HA SER 8 16.339 -10.444 -0.189 45 HB2 SER 8 HB2 SER 8 18.107 -12.169 -0.977 46 HB3 SER 8 HB3 SER 8 18.850 -10.802 -1.806 47 HG SER 8 HG SER 8 19.740 -10.688 0.150 48 H SER 9 H SER 9 17.156 -9.602 -3.517 49 HA SER 9 HA SER 9 18.301 -7.108 -3.182 50 HB2 SER 9 HB2 SER 9 17.209 -8.571 -5.328 51 HB3 SER 9 HB3 SER 9 16.405 -7.005 -5.353 52 HG SER 9 HG SER 9 19.207 -7.300 -5.046 53 H GLU 10 H GLU 10 15.070 -8.101 -2.512 54 HA GLU 10 HA GLU 10 13.795 -5.559 -2.690 55 HB2 GLU 10 HB2 GLU 10 12.524 -7.665 -2.692 56 HB3 GLU 10 HB3 GLU 10 13.051 -7.985 -1.039 57 HG2 GLU 10 HG2 GLU 10 11.863 -6.084 -0.197 58 HG3 GLU 10 HG3 GLU 10 11.563 -5.470 -1.821 59 H ILE 11 H ILE 11 15.489 -7.280 -0.129 60 HA ILE 11 HA ILE 11 14.863 -5.253 1.854 61 HB ILE 11 HB ILE 11 15.225 -7.786 2.270 62 HG12 ILE 11 HG12 ILE 11 16.565 -5.625 3.923 63 HG13 ILE 11 HG13 ILE 11 14.909 -6.211 4.088 64 HG21 ILE 11 HG21 ILE 11 17.669 -7.276 1.113 65 HG22 ILE 11 HG22 ILE 11 17.325 -8.650 2.159 66 HG23 ILE 11 HG23 ILE 11 18.059 -7.195 2.830 67 HD11 ILE 11 HD11 ILE 11 16.127 -7.329 5.798 68 HD12 ILE 11 HD12 ILE 11 17.475 -7.679 4.715 69 HD13 ILE 11 HD13 ILE 11 15.940 -8.523 4.514 70 H THR 12 H THR 12 16.430 -4.672 -0.669 71 HA THR 12 HA THR 12 19.023 -3.870 0.435 72 HB THR 12 HB THR 12 17.954 -3.616 -2.385 73 HG1 THR 12 HG1 THR 12 18.173 -5.746 -1.978 74 HG21 THR 12 HG21 THR 12 20.745 -3.737 -2.371 75 HG22 THR 12 HG22 THR 12 20.345 -2.662 -1.032 76 HG23 THR 12 HG23 THR 12 19.763 -2.299 -2.656 77 H THR 13 H THR 13 15.922 -2.586 -0.015 78 HA THR 13 HA THR 13 16.389 0.053 -0.774 79 HB THR 13 HB THR 13 14.331 -1.003 1.178 80 HG1 THR 13 HG1 THR 13 13.366 -1.662 -0.552 81 HG21 THR 13 HG21 THR 13 14.594 1.625 -0.300 82 HG22 THR 13 HG22 THR 13 14.484 1.381 1.443 83 HG23 THR 13 HG23 THR 13 13.083 1.069 0.420 84 H LYS 14 H LYS 14 16.363 -1.328 2.520 85 HA LYS 14 HA LYS 14 17.128 1.157 3.743 86 HB2 LYS 14 HB2 LYS 14 17.192 -1.680 4.805 87 HB3 LYS 14 HB3 LYS 14 17.458 -0.232 5.774 88 HG2 LYS 14 HG2 LYS 14 15.105 0.379 4.495 89 HG3 LYS 14 HG3 LYS 14 14.942 -1.360 4.744 90 HD2 LYS 14 HD2 LYS 14 15.837 -0.753 7.171 91 HD3 LYS 14 HD3 LYS 14 15.173 0.832 6.770 92 HE2 LYS 14 HE2 LYS 14 13.200 -0.016 7.489 93 HE3 LYS 14 HE3 LYS 14 13.165 -0.866 5.946 94 HZ1 LYS 14 HZ1 LYS 14 12.896 -2.542 7.503 95 HZ2 LYS 14 HZ2 LYS 14 14.016 -1.868 8.588 96 HZ3 LYS 14 HZ3 LYS 14 14.555 -2.616 7.161 97 H ASP 15 H ASP 15 18.810 -1.653 2.503 98 HA ASP 15 HA ASP 15 21.343 -1.104 3.671 99 HB2 ASP 15 HB2 ASP 15 20.617 -2.558 1.132 100 HB3 ASP 15 HB3 ASP 15 22.222 -2.545 1.854 101 H LEU 16 H LEU 16 19.609 0.140 0.927 102 HA LEU 16 HA LEU 16 21.660 1.207 -0.622 103 HB2 LEU 16 HB2 LEU 16 18.835 1.499 -0.430 104 HB3 LEU 16 HB3 LEU 16 19.524 3.121 -0.423 105 HG LEU 16 HG LEU 16 20.255 0.982 -2.441 106 HD11 LEU 16 HD11 LEU 16 17.960 2.780 -2.267 107 HD12 LEU 16 HD12 LEU 16 18.253 1.449 -3.385 108 HD13 LEU 16 HD13 LEU 16 18.902 3.051 -3.733 109 HD21 LEU 16 HD21 LEU 16 20.947 3.247 -3.623 110 HD22 LEU 16 HD22 LEU 16 22.026 2.500 -2.444 111 HD23 LEU 16 HD23 LEU 16 21.000 3.852 -1.967 112 H LYS 17 H LYS 17 20.323 2.149 2.444 113 HA LYS 17 HA LYS 17 21.550 4.740 2.564 114 HB2 LYS 17 HB2 LYS 17 19.705 4.428 4.021 115 HB3 LYS 17 HB3 LYS 17 20.355 2.911 4.643 116 HG2 LYS 17 HG2 LYS 17 22.039 3.997 5.888 117 HG3 LYS 17 HG3 LYS 17 21.866 5.497 4.974 118 HD2 LYS 17 HD2 LYS 17 19.341 4.785 6.188 119 HD3 LYS 17 HD3 LYS 17 20.608 4.833 7.415 120 HE2 LYS 17 HE2 LYS 17 20.347 7.043 5.382 121 HE3 LYS 17 HE3 LYS 17 19.376 7.049 6.856 122 HZ1 LYS 17 HZ1 LYS 17 22.337 7.009 6.662 123 HZ2 LYS 17 HZ2 LYS 17 21.481 6.795 8.114 124 HZ3 LYS 17 HZ3 LYS 17 21.367 8.264 7.265 125 H GLU 18 H GLU 18 22.418 1.504 3.637 126 HA GLU 18 HA GLU 18 24.792 2.255 5.017 127 HB2 GLU 18 HB2 GLU 18 23.569 -0.288 4.064 128 HB3 GLU 18 HB3 GLU 18 25.296 -0.299 4.423 129 HG2 GLU 18 HG2 GLU 18 23.141 0.683 6.315 130 HG3 GLU 18 HG3 GLU 18 23.919 -0.896 6.407 131 H LYS 19 H LYS 19 24.129 1.105 1.731 132 HA LYS 19 HA LYS 19 26.802 0.925 0.862 133 HB2 LYS 19 HB2 LYS 19 24.888 -0.016 -0.397 134 HB3 LYS 19 HB3 LYS 19 24.345 1.621 -0.770 135 HG2 LYS 19 HG2 LYS 19 25.612 1.342 -2.647 136 HG3 LYS 19 HG3 LYS 19 26.946 1.763 -1.573 137 HD2 LYS 19 HD2 LYS 19 27.300 -0.641 -1.084 138 HD3 LYS 19 HD3 LYS 19 25.994 -1.048 -2.198 139 HE2 LYS 19 HE2 LYS 19 27.731 -1.223 -3.685 140 HE3 LYS 19 HE3 LYS 19 27.474 0.516 -3.821 141 HZ1 LYS 19 HZ1 LYS 19 29.807 -0.651 -3.146 142 HZ2 LYS 19 HZ2 LYS 19 29.168 -0.258 -1.622 143 HZ3 LYS 19 HZ3 LYS 19 29.391 0.954 -2.790 144 H LYS 20 H LYS 20 24.528 3.627 0.979 145 HA LYS 20 HA LYS 20 26.297 5.452 -0.373 146 HB2 LYS 20 HB2 LYS 20 23.654 5.529 0.103 147 HB3 LYS 20 HB3 LYS 20 24.209 6.472 1.486 148 HG2 LYS 20 HG2 LYS 20 25.702 7.665 -0.363 149 HG3 LYS 20 HG3 LYS 20 24.426 7.086 -1.434 150 HD2 LYS 20 HD2 LYS 20 23.545 9.138 -0.794 151 HD3 LYS 20 HD3 LYS 20 22.843 8.086 0.435 152 HE2 LYS 20 HE2 LYS 20 24.596 8.674 2.013 153 HE3 LYS 20 HE3 LYS 20 25.436 9.615 0.782 154 HZ1 LYS 20 HZ1 LYS 20 23.793 10.726 2.490 155 HZ2 LYS 20 HZ2 LYS 20 22.643 10.276 1.324 156 HZ3 LYS 20 HZ3 LYS 20 23.936 11.292 0.897 157 H GLU 21 H GLU 21 25.727 4.395 2.896 158 HA GLU 21 HA GLU 21 26.985 6.467 4.310 159 HB2 GLU 21 HB2 GLU 21 25.670 4.616 5.356 160 HB3 GLU 21 HB3 GLU 21 27.009 3.520 5.010 161 HG2 GLU 21 HG2 GLU 21 28.467 4.640 6.489 162 HG3 GLU 21 HG3 GLU 21 27.461 6.086 6.524 163 H VAL 22 H VAL 22 28.267 3.757 2.479 164 HA VAL 22 HA VAL 22 30.870 3.640 3.446 165 HB VAL 22 HB VAL 22 31.485 2.637 1.383 166 HG11 VAL 22 HG11 VAL 22 28.511 2.197 1.792 167 HG12 VAL 22 HG12 VAL 22 29.798 1.381 2.677 168 HG13 VAL 22 HG13 VAL 22 29.605 1.103 0.946 169 HG21 VAL 22 HG21 VAL 22 29.349 4.432 0.298 170 HG22 VAL 22 HG22 VAL 22 29.658 2.913 -0.541 171 HG23 VAL 22 HG23 VAL 22 30.956 4.091 -0.343 172 H VAL 23 H VAL 23 29.343 6.033 1.376 173 HA VAL 23 HA VAL 23 31.654 7.310 0.406 174 HB VAL 23 HB VAL 23 30.252 9.172 -0.103 175 HG11 VAL 23 HG11 VAL 23 28.084 7.951 -0.847 176 HG12 VAL 23 HG12 VAL 23 28.843 6.506 -0.181 177 HG13 VAL 23 HG13 VAL 23 29.619 7.378 -1.502 178 HG21 VAL 23 HG21 VAL 23 29.106 9.869 1.763 179 HG22 VAL 23 HG22 VAL 23 28.782 8.224 2.308 180 HG23 VAL 23 HG23 VAL 23 27.808 8.935 1.021 181 H GLU 24 H GLU 24 29.915 7.603 3.455 182 HA GLU 24 HA GLU 24 31.240 9.868 4.472 183 HB2 GLU 24 HB2 GLU 24 30.005 7.478 5.842 184 HB3 GLU 24 HB3 GLU 24 30.666 8.853 6.724 185 HG2 GLU 24 HG2 GLU 24 28.819 9.532 4.509 186 HG3 GLU 24 HG3 GLU 24 28.082 8.715 5.886 187 H GLU 25 H GLU 25 32.080 6.453 4.406 188 HA GLU 25 HA GLU 25 34.264 6.451 6.148 189 HB2 GLU 25 HB2 GLU 25 33.113 4.503 4.814 190 HB3 GLU 25 HB3 GLU 25 34.331 4.873 3.594 191 HG2 GLU 25 HG2 GLU 25 35.749 3.576 4.774 192 HG3 GLU 25 HG3 GLU 25 35.760 4.851 5.992 193 H ALA 26 H ALA 26 33.815 8.000 3.151 194 HA ALA 26 HA ALA 26 36.328 8.058 1.989 195 HB1 ALA 26 HB1 ALA 26 34.326 9.100 0.993 196 HB2 ALA 26 HB2 ALA 26 35.685 10.224 1.038 197 HB3 ALA 26 HB3 ALA 26 34.384 10.364 2.221 198 H GLU 27 H GLU 27 35.114 9.910 4.727 199 HA GLU 27 HA GLU 27 37.284 11.688 5.006 200 HB2 GLU 27 HB2 GLU 27 35.018 11.783 6.176 201 HB3 GLU 27 HB3 GLU 27 35.658 10.578 7.294 202 HG2 GLU 27 HG2 GLU 27 37.674 12.226 7.522 203 HG3 GLU 27 HG3 GLU 27 36.551 13.417 6.868 204 H ASN 28 H ASN 28 36.805 8.369 6.027 205 HA ASN 28 HA ASN 28 39.191 8.329 7.676 206 HB2 ASN 28 HB2 ASN 28 36.993 6.459 7.016 207 HB3 ASN 28 HB3 ASN 28 38.553 5.717 7.364 208 HD21 ASN 28 HD21 ASN 28 36.664 5.151 9.233 209 HD22 ASN 28 HD22 ASN 28 36.877 6.079 10.639 Start of MODEL 10 1 H1 ACE 0 H1 ACE 0 27.312 -3.117 -14.607 2 H2 ACE 0 H2 ACE 0 26.669 -4.634 -13.981 3 H3 ACE 0 H3 ACE 0 28.362 -4.219 -13.715 4 H SER 1 H SER 1 27.450 -1.345 -13.267 5 HA SER 1 HA SER 1 26.625 -1.709 -10.455 6 HB2 SER 1 HB2 SER 1 28.748 -0.667 -10.475 7 HB3 SER 1 HB3 SER 1 28.309 0.384 -11.817 8 HG SER 1 HG SER 1 28.213 1.492 -9.831 9 H ASP 2 H ASP 2 26.566 1.148 -12.530 10 HA ASP 2 HA ASP 2 24.235 2.259 -11.576 11 HB2 ASP 2 HB2 ASP 2 25.747 3.426 -13.120 12 HB3 ASP 2 HB3 ASP 2 25.257 2.348 -14.426 13 H ALA 3 H ALA 3 24.639 -0.231 -14.037 14 HA ALA 3 HA ALA 3 21.998 -0.333 -14.989 15 HB1 ALA 3 HB1 ALA 3 22.957 -1.877 -16.296 16 HB2 ALA 3 HB2 ALA 3 23.058 -2.975 -14.920 17 HB3 ALA 3 HB3 ALA 3 24.389 -1.872 -15.268 18 H ALA 4 H ALA 4 23.409 -1.386 -12.010 19 HA ALA 4 HA ALA 4 21.689 -3.400 -11.179 20 HB1 ALA 4 HB1 ALA 4 23.751 -2.398 -9.991 21 HB2 ALA 4 HB2 ALA 4 22.411 -2.949 -8.986 22 HB3 ALA 4 HB3 ALA 4 22.618 -1.229 -9.311 23 H VAL 5 H VAL 5 21.043 -0.061 -11.696 24 HA VAL 5 HA VAL 5 19.015 0.610 -10.007 25 HB VAL 5 HB VAL 5 19.870 2.047 -11.852 26 HG11 VAL 5 HG11 VAL 5 19.835 0.304 -13.615 27 HG12 VAL 5 HG12 VAL 5 18.935 1.739 -14.108 28 HG13 VAL 5 HG13 VAL 5 18.072 0.300 -13.564 29 HG21 VAL 5 HG21 VAL 5 16.950 1.940 -12.377 30 HG22 VAL 5 HG22 VAL 5 17.947 3.288 -11.832 31 HG23 VAL 5 HG23 VAL 5 17.418 2.063 -10.680 32 H ASP 6 H ASP 6 18.893 -1.567 -12.777 33 HA ASP 6 HA ASP 6 16.104 -2.010 -12.800 34 HB2 ASP 6 HB2 ASP 6 18.451 -3.719 -13.635 35 HB3 ASP 6 HB3 ASP 6 16.788 -4.278 -13.793 36 H THR 7 H THR 7 18.771 -3.390 -10.985 37 HA THR 7 HA THR 7 17.384 -5.457 -9.660 38 HB THR 7 HB THR 7 19.489 -4.003 -8.157 39 HG1 THR 7 HG1 THR 7 20.087 -3.780 -10.380 40 HG21 THR 7 HG21 THR 7 19.311 -6.885 -9.058 41 HG22 THR 7 HG22 THR 7 18.510 -6.280 -7.609 42 HG23 THR 7 HG23 THR 7 20.267 -6.229 -7.729 43 H SER 8 H SER 8 17.804 -2.022 -9.025 44 HA SER 8 HA SER 8 16.891 -1.723 -6.463 45 HB2 SER 8 HB2 SER 8 17.528 0.059 -8.252 46 HB3 SER 8 HB3 SER 8 15.808 0.056 -8.633 47 HG SER 8 HG SER 8 16.717 1.536 -6.901 48 H SER 9 H SER 9 15.179 -3.032 -9.112 49 HA SER 9 HA SER 9 12.523 -2.431 -8.600 50 HB2 SER 9 HB2 SER 9 13.700 -5.081 -9.469 51 HB3 SER 9 HB3 SER 9 12.001 -4.638 -9.598 52 HG SER 9 HG SER 9 13.901 -4.150 -11.323 53 H GLU 10 H GLU 10 14.608 -4.836 -7.046 54 HA GLU 10 HA GLU 10 12.589 -5.983 -5.400 55 HB2 GLU 10 HB2 GLU 10 15.098 -6.715 -5.990 56 HB3 GLU 10 HB3 GLU 10 15.411 -5.908 -4.454 57 HG2 GLU 10 HG2 GLU 10 14.856 -7.928 -3.558 58 HG3 GLU 10 HG3 GLU 10 13.203 -7.372 -3.812 59 H ILE 11 H ILE 11 13.779 -2.925 -5.465 60 HA ILE 11 HA ILE 11 13.663 -1.134 -4.044 61 HB ILE 11 HB ILE 11 11.980 -3.012 -2.369 62 HG12 ILE 11 HG12 ILE 11 10.364 -1.110 -3.607 63 HG13 ILE 11 HG13 ILE 11 11.519 -1.550 -4.865 64 HG21 ILE 11 HG21 ILE 11 11.816 -1.325 -0.886 65 HG22 ILE 11 HG22 ILE 11 11.326 -0.213 -2.163 66 HG23 ILE 11 HG23 ILE 11 13.037 -0.439 -1.799 67 HD11 ILE 11 HD11 ILE 11 11.003 -3.931 -4.524 68 HD12 ILE 11 HD12 ILE 11 9.535 -3.030 -4.906 69 HD13 ILE 11 HD13 ILE 11 9.868 -3.510 -3.242 70 H THR 12 H THR 12 16.022 -1.874 -3.845 71 HA THR 12 HA THR 12 16.613 -2.440 -0.999 72 HB THR 12 HB THR 12 17.431 -4.288 -2.277 73 HG1 THR 12 HG1 THR 12 19.283 -4.147 -1.333 74 HG21 THR 12 HG21 THR 12 18.437 -2.147 -4.153 75 HG22 THR 12 HG22 THR 12 17.343 -3.482 -4.511 76 HG23 THR 12 HG23 THR 12 19.049 -3.799 -4.205 77 H THR 13 H THR 13 16.190 0.092 -2.682 78 HA THR 13 HA THR 13 18.723 1.414 -2.782 79 HB THR 13 HB THR 13 16.235 3.013 -2.521 80 HG1 THR 13 HG1 THR 13 16.133 0.840 -3.874 81 HG21 THR 13 HG21 THR 13 17.343 4.434 -3.941 82 HG22 THR 13 HG22 THR 13 18.074 3.115 -4.857 83 HG23 THR 13 HG23 THR 13 18.747 3.583 -3.296 84 H LYS 14 H LYS 14 15.975 1.518 -0.522 85 HA LYS 14 HA LYS 14 17.153 3.396 1.248 86 HB2 LYS 14 HB2 LYS 14 14.727 2.902 1.221 87 HB3 LYS 14 HB3 LYS 14 15.061 1.281 1.830 88 HG2 LYS 14 HG2 LYS 14 14.737 2.270 3.865 89 HG3 LYS 14 HG3 LYS 14 16.416 2.767 3.657 90 HD2 LYS 14 HD2 LYS 14 15.276 4.773 2.321 91 HD3 LYS 14 HD3 LYS 14 13.913 4.374 3.368 92 HE2 LYS 14 HE2 LYS 14 16.611 5.441 4.087 93 HE3 LYS 14 HE3 LYS 14 15.030 5.853 4.750 94 HZ1 LYS 14 HZ1 LYS 14 16.277 4.602 6.355 95 HZ2 LYS 14 HZ2 LYS 14 16.555 3.352 5.240 96 HZ3 LYS 14 HZ3 LYS 14 14.982 3.653 5.810 97 H ASP 15 H ASP 15 17.173 -0.123 1.074 98 HA ASP 15 HA ASP 15 18.439 -0.641 3.547 99 HB2 ASP 15 HB2 ASP 15 18.373 -2.108 0.915 100 HB3 ASP 15 HB3 ASP 15 19.250 -2.729 2.312 101 H LEU 16 H LEU 16 19.594 0.247 0.382 102 HA LEU 16 HA LEU 16 22.323 -0.228 0.606 103 HB2 LEU 16 HB2 LEU 16 20.790 0.746 -1.334 104 HB3 LEU 16 HB3 LEU 16 21.371 2.284 -0.703 105 HG LEU 16 HG LEU 16 23.326 0.060 -1.276 106 HD11 LEU 16 HD11 LEU 16 22.356 0.127 -3.388 107 HD12 LEU 16 HD12 LEU 16 23.577 1.392 -3.531 108 HD13 LEU 16 HD13 LEU 16 21.891 1.820 -3.234 109 HD21 LEU 16 HD21 LEU 16 24.431 1.828 -0.225 110 HD22 LEU 16 HD22 LEU 16 23.379 3.049 -0.939 111 HD23 LEU 16 HD23 LEU 16 24.621 2.274 -1.919 112 H LYS 17 H LYS 17 20.350 2.218 2.067 113 HA LYS 17 HA LYS 17 22.101 4.268 2.586 114 HB2 LYS 17 HB2 LYS 17 19.591 3.886 3.294 115 HB3 LYS 17 HB3 LYS 17 20.329 3.391 4.819 116 HG2 LYS 17 HG2 LYS 17 20.028 5.712 5.096 117 HG3 LYS 17 HG3 LYS 17 21.716 5.579 4.600 118 HD2 LYS 17 HD2 LYS 17 20.467 5.721 2.172 119 HD3 LYS 17 HD3 LYS 17 19.419 6.743 3.156 120 HE2 LYS 17 HE2 LYS 17 22.430 7.039 3.125 121 HE3 LYS 17 HE3 LYS 17 21.369 7.939 2.041 122 HZ1 LYS 17 HZ1 LYS 17 21.878 8.330 4.836 123 HZ2 LYS 17 HZ2 LYS 17 20.218 8.268 4.476 124 HZ3 LYS 17 HZ3 LYS 17 21.218 9.399 3.696 125 H GLU 18 H GLU 18 21.948 1.146 4.202 126 HA GLU 18 HA GLU 18 23.741 1.905 6.313 127 HB2 GLU 18 HB2 GLU 18 24.019 -0.636 6.558 128 HB3 GLU 18 HB3 GLU 18 22.408 0.028 6.819 129 HG2 GLU 18 HG2 GLU 18 21.553 -1.076 5.052 130 HG3 GLU 18 HG3 GLU 18 22.919 -0.651 4.017 131 H LYS 19 H LYS 19 24.118 0.458 3.138 132 HA LYS 19 HA LYS 19 26.927 -0.074 3.433 133 HB2 LYS 19 HB2 LYS 19 24.934 -0.167 1.214 134 HB3 LYS 19 HB3 LYS 19 26.641 -0.065 0.780 135 HG2 LYS 19 HG2 LYS 19 27.063 -2.014 2.332 136 HG3 LYS 19 HG3 LYS 19 25.314 -2.176 2.503 137 HD2 LYS 19 HD2 LYS 19 25.769 -1.982 -0.266 138 HD3 LYS 19 HD3 LYS 19 27.023 -3.066 0.336 139 HE2 LYS 19 HE2 LYS 19 24.876 -4.228 -0.300 140 HE3 LYS 19 HE3 LYS 19 25.382 -4.507 1.366 141 HZ1 LYS 19 HZ1 LYS 19 23.849 -2.205 1.387 142 HZ2 LYS 19 HZ2 LYS 19 23.423 -3.730 2.000 143 HZ3 LYS 19 HZ3 LYS 19 23.007 -3.305 0.409 144 H LYS 20 H LYS 20 24.968 2.563 2.157 145 HA LYS 20 HA LYS 20 27.062 4.033 0.941 146 HB2 LYS 20 HB2 LYS 20 24.254 4.408 1.537 147 HB3 LYS 20 HB3 LYS 20 25.159 5.877 1.894 148 HG2 LYS 20 HG2 LYS 20 25.689 4.431 -0.686 149 HG3 LYS 20 HG3 LYS 20 24.253 5.444 -0.544 150 HD2 LYS 20 HD2 LYS 20 25.783 7.293 0.307 151 HD3 LYS 20 HD3 LYS 20 27.139 6.284 -0.199 152 HE2 LYS 20 HE2 LYS 20 26.900 7.078 -2.291 153 HE3 LYS 20 HE3 LYS 20 25.312 6.316 -2.366 154 HZ1 LYS 20 HZ1 LYS 20 25.072 8.633 -0.836 155 HZ2 LYS 20 HZ2 LYS 20 24.404 8.315 -2.366 156 HZ3 LYS 20 HZ3 LYS 20 25.930 9.050 -2.238 157 H GLU 21 H GLU 21 25.933 3.735 4.230 158 HA GLU 21 HA GLU 21 27.078 6.038 5.348 159 HB2 GLU 21 HB2 GLU 21 25.489 4.360 6.438 160 HB3 GLU 21 HB3 GLU 21 26.918 3.377 6.757 161 HG2 GLU 21 HG2 GLU 21 27.938 5.467 7.825 162 HG3 GLU 21 HG3 GLU 21 26.320 6.165 7.758 163 H VAL 22 H VAL 22 28.464 2.770 4.918 164 HA VAL 22 HA VAL 22 30.916 3.300 6.181 165 HB VAL 22 HB VAL 22 31.667 1.271 5.330 166 HG11 VAL 22 HG11 VAL 22 28.733 0.829 4.855 167 HG12 VAL 22 HG12 VAL 22 29.305 1.270 6.464 168 HG13 VAL 22 HG13 VAL 22 29.893 -0.203 5.692 169 HG21 VAL 22 HG21 VAL 22 31.771 1.411 3.027 170 HG22 VAL 22 HG22 VAL 22 30.160 2.110 2.890 171 HG23 VAL 22 HG23 VAL 22 30.348 0.382 3.176 172 H VAL 23 H VAL 23 29.827 3.963 2.899 173 HA VAL 23 HA VAL 23 32.318 4.547 1.728 174 HB VAL 23 HB VAL 23 29.596 5.746 1.149 175 HG11 VAL 23 HG11 VAL 23 31.475 7.103 0.258 176 HG12 VAL 23 HG12 VAL 23 30.568 6.322 -1.037 177 HG13 VAL 23 HG13 VAL 23 32.124 5.665 -0.531 178 HG21 VAL 23 HG21 VAL 23 29.932 3.211 0.979 179 HG22 VAL 23 HG22 VAL 23 31.070 3.552 -0.324 180 HG23 VAL 23 HG23 VAL 23 29.377 4.018 -0.487 181 H GLU 24 H GLU 24 30.369 6.306 3.991 182 HA GLU 24 HA GLU 24 31.174 8.926 3.592 183 HB2 GLU 24 HB2 GLU 24 29.545 8.039 5.330 184 HB3 GLU 24 HB3 GLU 24 30.954 7.651 6.316 185 HG2 GLU 24 HG2 GLU 24 31.430 9.852 6.753 186 HG3 GLU 24 HG3 GLU 24 30.852 10.398 5.180 187 H GLU 25 H GLU 25 32.876 6.268 5.166 188 HA GLU 25 HA GLU 25 35.013 7.664 6.290 189 HB2 GLU 25 HB2 GLU 25 34.788 4.899 5.108 190 HB3 GLU 25 HB3 GLU 25 36.314 5.495 5.764 191 HG2 GLU 25 HG2 GLU 25 35.607 5.244 7.892 192 HG3 GLU 25 HG3 GLU 25 34.068 6.032 7.549 193 H ALA 26 H ALA 26 34.067 7.328 3.067 194 HA ALA 26 HA ALA 26 36.592 7.453 1.756 195 HB1 ALA 26 HB1 ALA 26 33.881 8.416 0.811 196 HB2 ALA 26 HB2 ALA 26 34.527 6.791 0.588 197 HB3 ALA 26 HB3 ALA 26 35.296 8.162 -0.210 198 H GLU 27 H GLU 27 34.433 9.860 3.113 199 HA GLU 27 HA GLU 27 35.597 12.162 1.947 200 HB2 GLU 27 HB2 GLU 27 33.411 11.756 3.463 201 HB3 GLU 27 HB3 GLU 27 34.512 12.354 4.705 202 HG2 GLU 27 HG2 GLU 27 35.073 14.221 2.973 203 HG3 GLU 27 HG3 GLU 27 33.557 13.740 2.209 204 H ASN 28 H ASN 28 36.760 9.967 4.257 205 HA ASN 28 HA ASN 28 38.378 11.727 5.821 206 HB2 ASN 28 HB2 ASN 28 37.643 9.355 6.413 207 HB3 ASN 28 HB3 ASN 28 38.913 8.802 5.323 208 HD21 ASN 28 HD21 ASN 28 38.717 11.398 7.834 209 HD22 ASN 28 HD22 ASN 28 40.149 10.935 8.619 Start of MODEL 11 1 H1 ACE 0 H1 ACE 0 14.862 -8.593 17.823 2 H2 ACE 0 H2 ACE 0 16.123 -9.452 16.939 3 H3 ACE 0 H3 ACE 0 14.686 -8.880 16.092 4 H SER 1 H SER 1 17.857 -8.265 16.457 5 HA SER 1 HA SER 1 17.508 -5.354 16.047 6 HB2 SER 1 HB2 SER 1 19.654 -6.862 17.529 7 HB3 SER 1 HB3 SER 1 19.922 -5.232 16.916 8 HG SER 1 HG SER 1 18.957 -5.680 19.167 9 H ASP 2 H ASP 2 20.475 -7.203 15.737 10 HA ASP 2 HA ASP 2 21.313 -6.141 13.341 11 HB2 ASP 2 HB2 ASP 2 21.997 -8.964 13.519 12 HB3 ASP 2 HB3 ASP 2 23.043 -7.549 13.626 13 H ALA 3 H ALA 3 19.142 -8.859 13.896 14 HA ALA 3 HA ALA 3 18.977 -9.840 11.270 15 HB1 ALA 3 HB1 ALA 3 17.250 -9.963 13.694 16 HB2 ALA 3 HB2 ALA 3 17.942 -11.271 12.734 17 HB3 ALA 3 HB3 ALA 3 16.522 -10.405 12.149 18 H ALA 4 H ALA 4 17.939 -6.864 12.555 19 HA ALA 4 HA ALA 4 15.611 -6.222 11.253 20 HB1 ALA 4 HB1 ALA 4 16.529 -4.566 12.665 21 HB2 ALA 4 HB2 ALA 4 16.631 -3.874 11.046 22 HB3 ALA 4 HB3 ALA 4 18.067 -4.563 11.802 23 H VAL 5 H VAL 5 18.640 -6.998 9.836 24 HA VAL 5 HA VAL 5 18.488 -5.596 7.410 25 HB VAL 5 HB VAL 5 20.061 -7.192 6.551 26 HG11 VAL 5 HG11 VAL 5 20.330 -5.993 9.129 27 HG12 VAL 5 HG12 VAL 5 21.603 -6.385 7.973 28 HG13 VAL 5 HG13 VAL 5 21.117 -7.570 9.185 29 HG21 VAL 5 HG21 VAL 5 18.775 -8.969 8.594 30 HG22 VAL 5 HG22 VAL 5 20.459 -9.265 8.163 31 HG23 VAL 5 HG23 VAL 5 19.207 -9.320 6.922 32 H ASP 6 H ASP 6 17.077 -8.670 8.448 33 HA ASP 6 HA ASP 6 16.003 -9.438 5.947 34 HB2 ASP 6 HB2 ASP 6 16.162 -10.810 8.133 35 HB3 ASP 6 HB3 ASP 6 14.664 -10.000 8.591 36 H THR 7 H THR 7 14.848 -7.408 8.571 37 HA THR 7 HA THR 7 12.248 -6.895 7.588 38 HB THR 7 HB THR 7 14.003 -5.086 9.266 39 HG1 THR 7 HG1 THR 7 13.425 -7.413 9.887 40 HG21 THR 7 HG21 THR 7 12.014 -3.989 9.908 41 HG22 THR 7 HG22 THR 7 10.996 -5.287 9.286 42 HG23 THR 7 HG23 THR 7 11.831 -4.209 8.168 43 H SER 8 H SER 8 15.392 -5.407 7.016 44 HA SER 8 HA SER 8 14.579 -3.111 5.634 45 HB2 SER 8 HB2 SER 8 16.793 -2.849 5.096 46 HB3 SER 8 HB3 SER 8 16.966 -4.042 6.379 47 HG SER 8 HG SER 8 17.141 -4.334 3.593 48 H SER 9 H SER 9 14.385 -6.413 4.721 49 HA SER 9 HA SER 9 14.611 -6.262 1.935 50 HB2 SER 9 HB2 SER 9 13.702 -8.386 1.889 51 HB3 SER 9 HB3 SER 9 14.226 -8.303 3.568 52 HG SER 9 HG SER 9 12.173 -7.955 4.201 53 H GLU 10 H GLU 10 11.914 -5.497 4.078 54 HA GLU 10 HA GLU 10 9.898 -5.227 2.130 55 HB2 GLU 10 HB2 GLU 10 10.318 -3.991 4.846 56 HB3 GLU 10 HB3 GLU 10 8.917 -3.580 3.855 57 HG2 GLU 10 HG2 GLU 10 9.445 -6.470 4.034 58 HG3 GLU 10 HG3 GLU 10 9.042 -5.720 5.579 59 H ILE 11 H ILE 11 12.557 -3.185 3.035 60 HA ILE 11 HA ILE 11 11.873 -1.354 0.851 61 HB ILE 11 HB ILE 11 10.939 -0.334 2.899 62 HG12 ILE 11 HG12 ILE 11 13.326 1.355 2.440 63 HG13 ILE 11 HG13 ILE 11 12.470 0.855 0.981 64 HG21 ILE 11 HG21 ILE 11 12.052 -0.347 4.860 65 HG22 ILE 11 HG22 ILE 11 13.499 0.329 4.112 66 HG23 ILE 11 HG23 ILE 11 13.229 -1.413 4.093 67 HD11 ILE 11 HD11 ILE 11 10.841 1.851 3.277 68 HD12 ILE 11 HD12 ILE 11 10.545 1.998 1.545 69 HD13 ILE 11 HD13 ILE 11 11.738 3.035 2.325 70 H THR 12 H THR 12 13.631 -2.343 -0.235 71 HA THR 12 HA THR 12 16.248 -2.526 0.863 72 HB THR 12 HB THR 12 16.949 -2.916 -1.483 73 HG1 THR 12 HG1 THR 12 15.749 -2.013 -2.928 74 HG21 THR 12 HG21 THR 12 15.692 -4.968 -1.782 75 HG22 THR 12 HG22 THR 12 14.382 -4.358 -0.771 76 HG23 THR 12 HG23 THR 12 15.953 -4.721 -0.056 77 H THR 13 H THR 13 14.476 0.119 -0.459 78 HA THR 13 HA THR 13 16.531 1.670 -1.545 79 HB THR 13 HB THR 13 14.853 3.474 -0.201 80 HG1 THR 13 HG1 THR 13 13.741 1.115 -0.163 81 HG21 THR 13 HG21 THR 13 13.747 3.526 -2.536 82 HG22 THR 13 HG22 THR 13 14.928 2.290 -2.972 83 HG23 THR 13 HG23 THR 13 15.472 3.882 -2.441 84 H LYS 14 H LYS 14 15.574 1.137 1.799 85 HA LYS 14 HA LYS 14 17.344 3.126 2.880 86 HB2 LYS 14 HB2 LYS 14 15.335 2.401 4.107 87 HB3 LYS 14 HB3 LYS 14 15.988 0.768 4.217 88 HG2 LYS 14 HG2 LYS 14 18.067 2.290 5.203 89 HG3 LYS 14 HG3 LYS 14 16.657 3.163 5.793 90 HD2 LYS 14 HD2 LYS 14 16.914 0.165 6.090 91 HD3 LYS 14 HD3 LYS 14 17.564 1.279 7.291 92 HE2 LYS 14 HE2 LYS 14 15.441 0.930 8.157 93 HE3 LYS 14 HE3 LYS 14 15.142 2.343 7.146 94 HZ1 LYS 14 HZ1 LYS 14 13.563 0.403 6.894 95 HZ2 LYS 14 HZ2 LYS 14 14.837 -0.414 6.122 96 HZ3 LYS 14 HZ3 LYS 14 14.227 1.029 5.464 97 H ASP 15 H ASP 15 17.489 -0.346 2.295 98 HA ASP 15 HA ASP 15 19.822 -0.987 3.688 99 HB2 ASP 15 HB2 ASP 15 18.134 -2.279 1.912 100 HB3 ASP 15 HB3 ASP 15 19.666 -2.232 1.049 101 H LEU 16 H LEU 16 19.338 0.408 0.504 102 HA LEU 16 HA LEU 16 21.944 0.405 -0.474 103 HB2 LEU 16 HB2 LEU 16 19.574 1.359 -1.377 104 HB3 LEU 16 HB3 LEU 16 20.363 2.869 -0.923 105 HG LEU 16 HG LEU 16 22.406 2.027 -2.215 106 HD11 LEU 16 HD11 LEU 16 22.208 -0.185 -2.739 107 HD12 LEU 16 HD12 LEU 16 21.317 0.427 -4.132 108 HD13 LEU 16 HD13 LEU 16 20.446 -0.140 -2.707 109 HD21 LEU 16 HD21 LEU 16 20.388 2.245 -4.309 110 HD22 LEU 16 HD22 LEU 16 21.666 3.377 -3.869 111 HD23 LEU 16 HD23 LEU 16 20.120 3.422 -3.025 112 H LYS 17 H LYS 17 20.419 2.376 1.954 113 HA LYS 17 HA LYS 17 22.383 4.440 2.042 114 HB2 LYS 17 HB2 LYS 17 20.970 5.362 3.530 115 HB3 LYS 17 HB3 LYS 17 19.909 3.991 3.221 116 HG2 LYS 17 HG2 LYS 17 21.044 2.735 5.044 117 HG3 LYS 17 HG3 LYS 17 22.029 4.157 5.385 118 HD2 LYS 17 HD2 LYS 17 20.136 5.437 6.059 119 HD3 LYS 17 HD3 LYS 17 19.008 4.256 5.392 120 HE2 LYS 17 HE2 LYS 17 20.740 4.008 7.853 121 HE3 LYS 17 HE3 LYS 17 18.991 3.830 7.724 122 HZ1 LYS 17 HZ1 LYS 17 19.577 1.657 7.728 123 HZ2 LYS 17 HZ2 LYS 17 21.111 1.939 7.053 124 HZ3 LYS 17 HZ3 LYS 17 19.730 1.936 6.063 125 H GLU 18 H GLU 18 22.035 1.333 3.654 126 HA GLU 18 HA GLU 18 24.080 1.679 5.578 127 HB2 GLU 18 HB2 GLU 18 22.444 -0.111 5.790 128 HB3 GLU 18 HB3 GLU 18 23.019 -0.847 4.293 129 HG2 GLU 18 HG2 GLU 18 25.272 -0.424 6.013 130 HG3 GLU 18 HG3 GLU 18 24.013 -1.244 6.935 131 H LYS 19 H LYS 19 24.114 0.314 2.303 132 HA LYS 19 HA LYS 19 26.891 -0.365 2.349 133 HB2 LYS 19 HB2 LYS 19 25.041 0.125 0.000 134 HB3 LYS 19 HB3 LYS 19 26.627 -0.642 -0.087 135 HG2 LYS 19 HG2 LYS 19 25.883 -2.601 0.848 136 HG3 LYS 19 HG3 LYS 19 24.712 -1.783 1.883 137 HD2 LYS 19 HD2 LYS 19 23.281 -1.358 -0.102 138 HD3 LYS 19 HD3 LYS 19 24.435 -2.238 -1.103 139 HE2 LYS 19 HE2 LYS 19 23.247 -4.094 -0.607 140 HE3 LYS 19 HE3 LYS 19 23.946 -3.982 1.007 141 HZ1 LYS 19 HZ1 LYS 19 21.890 -3.690 1.746 142 HZ2 LYS 19 HZ2 LYS 19 21.264 -3.539 0.174 143 HZ3 LYS 19 HZ3 LYS 19 21.877 -2.175 0.983 144 H LYS 20 H LYS 20 25.034 2.413 1.202 145 HA LYS 20 HA LYS 20 27.174 3.814 0.002 146 HB2 LYS 20 HB2 LYS 20 24.482 4.558 1.080 147 HB3 LYS 20 HB3 LYS 20 25.623 5.839 0.680 148 HG2 LYS 20 HG2 LYS 20 25.222 3.643 -1.313 149 HG3 LYS 20 HG3 LYS 20 23.951 4.854 -1.152 150 HD2 LYS 20 HD2 LYS 20 25.951 6.563 -1.313 151 HD3 LYS 20 HD3 LYS 20 26.795 5.204 -2.055 152 HE2 LYS 20 HE2 LYS 20 24.540 5.024 -3.455 153 HE3 LYS 20 HE3 LYS 20 24.423 6.735 -3.041 154 HZ1 LYS 20 HZ1 LYS 20 26.132 5.451 -4.917 155 HZ2 LYS 20 HZ2 LYS 20 27.033 6.352 -3.792 156 HZ3 LYS 20 HZ3 LYS 20 25.815 7.103 -4.709 157 H GLU 21 H GLU 21 26.104 3.446 3.303 158 HA GLU 21 HA GLU 21 27.348 5.613 4.529 159 HB2 GLU 21 HB2 GLU 21 25.817 4.036 5.675 160 HB3 GLU 21 HB3 GLU 21 27.079 2.804 5.629 161 HG2 GLU 21 HG2 GLU 21 28.573 4.503 6.825 162 HG3 GLU 21 HG3 GLU 21 27.106 5.436 7.113 163 H VAL 22 H VAL 22 28.695 2.454 3.597 164 HA VAL 22 HA VAL 22 31.167 2.566 4.826 165 HB VAL 22 HB VAL 22 31.981 1.093 3.123 166 HG11 VAL 22 HG11 VAL 22 30.267 0.090 4.513 167 HG12 VAL 22 HG12 VAL 22 30.028 -0.471 2.858 168 HG13 VAL 22 HG13 VAL 22 28.992 0.792 3.520 169 HG21 VAL 22 HG21 VAL 22 31.620 1.919 1.020 170 HG22 VAL 22 HG22 VAL 22 30.063 2.622 1.456 171 HG23 VAL 22 HG23 VAL 22 30.181 0.901 1.092 172 H VAL 23 H VAL 23 30.048 4.288 1.969 173 HA VAL 23 HA VAL 23 32.508 5.268 1.037 174 HB VAL 23 HB VAL 23 30.026 5.427 0.098 175 HG11 VAL 23 HG11 VAL 23 29.475 7.043 2.025 176 HG12 VAL 23 HG12 VAL 23 29.001 7.547 0.403 177 HG13 VAL 23 HG13 VAL 23 30.445 8.228 1.151 178 HG21 VAL 23 HG21 VAL 23 30.842 7.087 -1.500 179 HG22 VAL 23 HG22 VAL 23 32.149 5.977 -1.094 180 HG23 VAL 23 HG23 VAL 23 32.105 7.587 -0.375 181 H GLU 24 H GLU 24 30.619 6.160 3.807 182 HA GLU 24 HA GLU 24 31.358 8.781 4.268 183 HB2 GLU 24 HB2 GLU 24 29.957 7.080 5.707 184 HB3 GLU 24 HB3 GLU 24 31.495 6.841 6.535 185 HG2 GLU 24 HG2 GLU 24 30.677 8.614 7.768 186 HG3 GLU 24 HG3 GLU 24 31.512 9.504 6.496 187 H GLU 25 H GLU 25 33.225 5.829 4.736 188 HA GLU 25 HA GLU 25 35.405 6.770 6.156 189 HB2 GLU 25 HB2 GLU 25 34.915 4.400 5.147 190 HB3 GLU 25 HB3 GLU 25 35.836 5.000 3.767 191 HG2 GLU 25 HG2 GLU 25 37.672 5.637 5.377 192 HG3 GLU 25 HG3 GLU 25 36.773 4.799 6.640 193 H ALA 26 H ALA 26 34.285 7.607 3.039 194 HA ALA 26 HA ALA 26 36.745 8.538 1.915 195 HB1 ALA 26 HB1 ALA 26 33.889 9.309 1.276 196 HB2 ALA 26 HB2 ALA 26 34.816 8.026 0.499 197 HB3 ALA 26 HB3 ALA 26 35.297 9.709 0.292 198 H GLU 27 H GLU 27 34.226 9.996 3.881 199 HA GLU 27 HA GLU 27 34.961 12.690 3.643 200 HB2 GLU 27 HB2 GLU 27 33.063 11.263 5.068 201 HB3 GLU 27 HB3 GLU 27 34.089 11.946 6.330 202 HG2 GLU 27 HG2 GLU 27 32.329 13.541 5.804 203 HG3 GLU 27 HG3 GLU 27 33.870 14.182 5.236 204 H ASN 28 H ASN 28 36.391 10.068 5.433 205 HA ASN 28 HA ASN 28 38.688 11.720 6.069 206 HB2 ASN 28 HB2 ASN 28 38.570 11.013 8.516 207 HB3 ASN 28 HB3 ASN 28 37.444 12.272 8.013 208 HD21 ASN 28 HD21 ASN 28 37.228 10.128 10.202 209 HD22 ASN 28 HD22 ASN 28 35.753 9.355 9.875 Start of MODEL 12 1 H1 ACE 0 H1 ACE 0 3.642 -22.346 -4.341 2 H2 ACE 0 H2 ACE 0 4.723 -22.717 -2.998 3 H3 ACE 0 H3 ACE 0 5.388 -22.360 -4.592 4 H SER 1 H SER 1 6.633 -20.770 -3.202 5 HA SER 1 HA SER 1 5.753 -18.150 -3.678 6 HB2 SER 1 HB2 SER 1 4.306 -19.104 -1.617 7 HB3 SER 1 HB3 SER 1 5.710 -18.514 -0.734 8 HG SER 1 HG SER 1 4.517 -16.735 -0.914 9 H ASP 2 H ASP 2 7.892 -20.436 -2.336 10 HA ASP 2 HA ASP 2 9.741 -18.902 -0.939 11 HB2 ASP 2 HB2 ASP 2 10.811 -20.958 -2.799 12 HB3 ASP 2 HB3 ASP 2 11.121 -20.722 -1.080 13 H ALA 3 H ALA 3 9.330 -19.313 -4.422 14 HA ALA 3 HA ALA 3 11.698 -18.068 -5.282 15 HB1 ALA 3 HB1 ALA 3 9.163 -18.881 -6.462 16 HB2 ALA 3 HB2 ALA 3 10.772 -18.836 -7.182 17 HB3 ALA 3 HB3 ALA 3 9.770 -17.385 -7.171 18 H ALA 4 H ALA 4 8.816 -16.769 -3.887 19 HA ALA 4 HA ALA 4 8.677 -14.198 -4.863 20 HB1 ALA 4 HB1 ALA 4 7.807 -13.565 -2.612 21 HB2 ALA 4 HB2 ALA 4 8.312 -15.146 -2.014 22 HB3 ALA 4 HB3 ALA 4 7.065 -15.029 -3.256 23 H VAL 5 H VAL 5 11.110 -15.586 -2.804 24 HA VAL 5 HA VAL 5 12.264 -13.488 -1.513 25 HB VAL 5 HB VAL 5 13.111 -15.837 -1.478 26 HG11 VAL 5 HG11 VAL 5 14.672 -16.525 -3.265 27 HG12 VAL 5 HG12 VAL 5 14.335 -15.028 -4.135 28 HG13 VAL 5 HG13 VAL 5 13.060 -16.226 -3.914 29 HG21 VAL 5 HG21 VAL 5 14.630 -13.378 -1.481 30 HG22 VAL 5 HG22 VAL 5 15.635 -14.696 -2.083 31 HG23 VAL 5 HG23 VAL 5 14.873 -14.822 -0.498 32 H ASP 6 H ASP 6 12.441 -14.250 -4.952 33 HA ASP 6 HA ASP 6 14.398 -12.351 -5.666 34 HB2 ASP 6 HB2 ASP 6 12.486 -14.044 -7.030 35 HB3 ASP 6 HB3 ASP 6 12.554 -12.451 -7.783 36 H THR 7 H THR 7 10.905 -12.145 -5.269 37 HA THR 7 HA THR 7 10.587 -9.469 -6.138 38 HB THR 7 HB THR 7 8.429 -9.544 -5.049 39 HG1 THR 7 HG1 THR 7 9.650 -10.901 -3.251 40 HG21 THR 7 HG21 THR 7 7.664 -11.867 -5.874 41 HG22 THR 7 HG22 THR 7 9.343 -12.102 -6.359 42 HG23 THR 7 HG23 THR 7 8.399 -10.786 -7.058 43 H SER 8 H SER 8 11.389 -10.934 -3.021 44 HA SER 8 HA SER 8 11.115 -8.666 -1.390 45 HB2 SER 8 HB2 SER 8 12.967 -11.042 -1.214 46 HB3 SER 8 HB3 SER 8 12.912 -9.789 0.021 47 HG SER 8 HG SER 8 10.966 -11.659 -0.750 48 H SER 9 H SER 9 13.316 -9.246 -3.923 49 HA SER 9 HA SER 9 15.599 -7.861 -3.066 50 HB2 SER 9 HB2 SER 9 16.213 -7.732 -5.347 51 HB3 SER 9 HB3 SER 9 15.248 -9.201 -5.230 52 HG SER 9 HG SER 9 13.879 -8.320 -6.544 53 H GLU 10 H GLU 10 12.468 -6.752 -3.414 54 HA GLU 10 HA GLU 10 12.911 -4.116 -4.387 55 HB2 GLU 10 HB2 GLU 10 10.662 -3.654 -3.599 56 HB3 GLU 10 HB3 GLU 10 10.692 -5.243 -4.363 57 HG2 GLU 10 HG2 GLU 10 11.267 -5.995 -1.853 58 HG3 GLU 10 HG3 GLU 10 10.363 -4.527 -1.488 59 H ILE 11 H ILE 11 12.745 -5.525 -1.149 60 HA ILE 11 HA ILE 11 13.096 -2.994 0.181 61 HB ILE 11 HB ILE 11 13.578 -4.579 2.175 62 HG12 ILE 11 HG12 ILE 11 12.315 -6.595 0.315 63 HG13 ILE 11 HG13 ILE 11 14.066 -6.487 0.499 64 HG21 ILE 11 HG21 ILE 11 11.159 -5.062 2.387 65 HG22 ILE 11 HG22 ILE 11 10.940 -4.680 0.680 66 HG23 ILE 11 HG23 ILE 11 11.438 -3.421 1.808 67 HD11 ILE 11 HD11 ILE 11 13.060 -8.168 2.036 68 HD12 ILE 11 HD12 ILE 11 12.113 -6.882 2.785 69 HD13 ILE 11 HD13 ILE 11 13.873 -6.867 2.905 70 H THR 12 H THR 12 15.070 -3.068 -1.653 71 HA THR 12 HA THR 12 17.504 -3.669 -0.078 72 HB THR 12 HB THR 12 18.670 -3.817 -2.282 73 HG1 THR 12 HG1 THR 12 17.053 -2.583 -3.404 74 HG21 THR 12 HG21 THR 12 18.060 -5.894 -1.291 75 HG22 THR 12 HG22 THR 12 17.517 -5.996 -2.966 76 HG23 THR 12 HG23 THR 12 16.356 -5.662 -1.680 77 H THR 13 H THR 13 15.717 -1.318 -1.919 78 HA THR 13 HA THR 13 17.687 0.605 -2.393 79 HB THR 13 HB THR 13 15.887 1.570 -3.317 80 HG1 THR 13 HG1 THR 13 14.379 2.005 -1.107 81 HG21 THR 13 HG21 THR 13 14.727 -0.549 -3.256 82 HG22 THR 13 HG22 THR 13 13.579 0.707 -2.791 83 HG23 THR 13 HG23 THR 13 14.307 -0.323 -1.558 84 H LYS 14 H LYS 14 15.848 -0.135 0.523 85 HA LYS 14 HA LYS 14 16.761 2.165 1.979 86 HB2 LYS 14 HB2 LYS 14 14.675 0.646 2.412 87 HB3 LYS 14 HB3 LYS 14 15.817 -0.363 3.299 88 HG2 LYS 14 HG2 LYS 14 16.380 1.428 4.790 89 HG3 LYS 14 HG3 LYS 14 15.535 2.609 3.788 90 HD2 LYS 14 HD2 LYS 14 13.391 1.441 4.257 91 HD3 LYS 14 HD3 LYS 14 14.253 0.326 5.317 92 HE2 LYS 14 HE2 LYS 14 14.015 1.794 7.003 93 HE3 LYS 14 HE3 LYS 14 15.012 2.941 6.109 94 HZ1 LYS 14 HZ1 LYS 14 12.233 3.021 6.609 95 HZ2 LYS 14 HZ2 LYS 14 12.506 2.988 4.934 96 HZ3 LYS 14 HZ3 LYS 14 13.219 4.198 5.889 97 H ASP 15 H ASP 15 17.781 -1.188 1.642 98 HA ASP 15 HA ASP 15 19.726 -1.224 3.698 99 HB2 ASP 15 HB2 ASP 15 19.084 -2.838 1.308 100 HB3 ASP 15 HB3 ASP 15 20.758 -2.919 1.855 101 H LEU 16 H LEU 16 19.701 -0.086 0.407 102 HA LEU 16 HA LEU 16 22.419 0.226 -0.117 103 HB2 LEU 16 HB2 LEU 16 19.933 1.133 -1.215 104 HB3 LEU 16 HB3 LEU 16 21.035 2.507 -1.122 105 HG LEU 16 HG LEU 16 21.882 -0.165 -2.260 106 HD11 LEU 16 HD11 LEU 16 20.206 0.388 -3.784 107 HD12 LEU 16 HD12 LEU 16 21.590 1.230 -4.481 108 HD13 LEU 16 HD13 LEU 16 20.404 2.122 -3.527 109 HD21 LEU 16 HD21 LEU 16 23.869 0.866 -2.582 110 HD22 LEU 16 HD22 LEU 16 23.268 2.167 -1.556 111 HD23 LEU 16 HD23 LEU 16 23.091 2.272 -3.307 112 H LYS 17 H LYS 17 20.250 1.996 1.930 113 HA LYS 17 HA LYS 17 21.745 4.368 2.282 114 HB2 LYS 17 HB2 LYS 17 19.942 3.020 4.304 115 HB3 LYS 17 HB3 LYS 17 20.381 4.727 4.251 116 HG2 LYS 17 HG2 LYS 17 19.120 3.509 1.822 117 HG3 LYS 17 HG3 LYS 17 18.090 3.881 3.204 118 HD2 LYS 17 HD2 LYS 17 19.949 6.054 2.573 119 HD3 LYS 17 HD3 LYS 17 18.857 5.681 1.241 120 HE2 LYS 17 HE2 LYS 17 16.924 6.045 2.584 121 HE3 LYS 17 HE3 LYS 17 17.866 6.035 4.074 122 HZ1 LYS 17 HZ1 LYS 17 18.751 7.996 2.172 123 HZ2 LYS 17 HZ2 LYS 17 18.407 8.166 3.828 124 HZ3 LYS 17 HZ3 LYS 17 17.154 8.243 2.683 125 H GLU 18 H GLU 18 21.939 1.199 3.776 126 HA GLU 18 HA GLU 18 23.654 1.925 5.922 127 HB2 GLU 18 HB2 GLU 18 22.277 -0.306 5.365 128 HB3 GLU 18 HB3 GLU 18 23.852 -0.798 4.740 129 HG2 GLU 18 HG2 GLU 18 23.960 -1.455 6.991 130 HG3 GLU 18 HG3 GLU 18 24.772 0.110 7.001 131 H LYS 19 H LYS 19 24.318 0.404 2.779 132 HA LYS 19 HA LYS 19 27.134 0.420 3.053 133 HB2 LYS 19 HB2 LYS 19 25.196 0.017 0.836 134 HB3 LYS 19 HB3 LYS 19 26.848 0.442 0.387 135 HG2 LYS 19 HG2 LYS 19 27.726 -1.519 1.203 136 HG3 LYS 19 HG3 LYS 19 26.517 -1.651 2.481 137 HD2 LYS 19 HD2 LYS 19 24.810 -2.219 0.746 138 HD3 LYS 19 HD3 LYS 19 26.091 -2.210 -0.467 139 HE2 LYS 19 HE2 LYS 19 26.607 -3.854 1.950 140 HE3 LYS 19 HE3 LYS 19 25.343 -4.444 0.873 141 HZ1 LYS 19 HZ1 LYS 19 26.926 -4.226 -0.977 142 HZ2 LYS 19 HZ2 LYS 19 27.450 -5.335 0.198 143 HZ3 LYS 19 HZ3 LYS 19 28.137 -3.782 0.122 144 H LYS 20 H LYS 20 24.825 2.760 1.784 145 HA LYS 20 HA LYS 20 26.693 4.516 0.586 146 HB2 LYS 20 HB2 LYS 20 24.106 4.474 0.394 147 HB3 LYS 20 HB3 LYS 20 24.135 5.455 1.861 148 HG2 LYS 20 HG2 LYS 20 24.131 7.028 0.079 149 HG3 LYS 20 HG3 LYS 20 25.808 6.964 0.623 150 HD2 LYS 20 HD2 LYS 20 26.385 6.474 -1.499 151 HD3 LYS 20 HD3 LYS 20 25.590 4.915 -1.281 152 HE2 LYS 20 HE2 LYS 20 24.105 7.418 -2.114 153 HE3 LYS 20 HE3 LYS 20 24.772 6.264 -3.271 154 HZ1 LYS 20 HZ1 LYS 20 22.594 5.891 -1.324 155 HZ2 LYS 20 HZ2 LYS 20 23.485 4.550 -1.867 156 HZ3 LYS 20 HZ3 LYS 20 22.629 5.511 -2.976 157 H GLU 21 H GLU 21 25.495 4.163 3.882 158 HA GLU 21 HA GLU 21 26.413 6.562 4.988 159 HB2 GLU 21 HB2 GLU 21 25.232 4.248 5.954 160 HB3 GLU 21 HB3 GLU 21 26.817 4.249 6.729 161 HG2 GLU 21 HG2 GLU 21 25.426 5.507 8.186 162 HG3 GLU 21 HG3 GLU 21 26.363 6.709 7.299 163 H VAL 22 H VAL 22 28.089 3.526 4.351 164 HA VAL 22 HA VAL 22 30.505 4.061 5.666 165 HB VAL 22 HB VAL 22 30.328 2.548 3.068 166 HG11 VAL 22 HG11 VAL 22 32.541 2.631 3.932 167 HG12 VAL 22 HG12 VAL 22 31.914 1.062 4.440 168 HG13 VAL 22 HG13 VAL 22 31.986 2.398 5.589 169 HG21 VAL 22 HG21 VAL 22 29.353 1.727 5.818 170 HG22 VAL 22 HG22 VAL 22 29.669 0.581 4.516 171 HG23 VAL 22 HG23 VAL 22 28.409 1.800 4.330 172 H VAL 23 H VAL 23 29.237 5.208 2.624 173 HA VAL 23 HA VAL 23 31.516 5.972 1.260 174 HB VAL 23 HB VAL 23 29.028 6.233 0.605 175 HG11 VAL 23 HG11 VAL 23 27.912 8.195 1.195 176 HG12 VAL 23 HG12 VAL 23 29.407 9.052 1.563 177 HG13 VAL 23 HG13 VAL 23 28.789 7.840 2.684 178 HG21 VAL 23 HG21 VAL 23 31.380 7.915 -0.071 179 HG22 VAL 23 HG22 VAL 23 29.818 8.518 -0.626 180 HG23 VAL 23 HG23 VAL 23 30.372 6.918 -1.120 181 H GLU 24 H GLU 24 29.954 7.540 4.001 182 HA GLU 24 HA GLU 24 31.257 9.990 4.014 183 HB2 GLU 24 HB2 GLU 24 30.531 8.233 6.368 184 HB3 GLU 24 HB3 GLU 24 30.962 9.940 6.478 185 HG2 GLU 24 HG2 GLU 24 29.061 10.203 4.653 186 HG3 GLU 24 HG3 GLU 24 28.499 8.677 5.333 187 H GLU 25 H GLU 25 32.374 6.833 5.092 188 HA GLU 25 HA GLU 25 34.736 7.589 6.387 189 HB2 GLU 25 HB2 GLU 25 34.218 5.100 4.739 190 HB3 GLU 25 HB3 GLU 25 35.502 5.301 5.933 191 HG2 GLU 25 HG2 GLU 25 33.676 5.823 7.630 192 HG3 GLU 25 HG3 GLU 25 32.516 5.276 6.419 193 H ALA 26 H ALA 26 33.842 7.869 3.130 194 HA ALA 26 HA ALA 26 36.191 7.468 1.705 195 HB1 ALA 26 HB1 ALA 26 34.094 8.021 0.595 196 HB2 ALA 26 HB2 ALA 26 35.334 9.187 0.131 197 HB3 ALA 26 HB3 ALA 26 34.108 9.630 1.318 198 H GLU 27 H GLU 27 35.302 10.091 3.848 199 HA GLU 27 HA GLU 27 37.275 11.962 3.098 200 HB2 GLU 27 HB2 GLU 27 35.231 11.839 4.986 201 HB3 GLU 27 HB3 GLU 27 36.702 11.972 5.951 202 HG2 GLU 27 HG2 GLU 27 36.128 14.216 5.505 203 HG3 GLU 27 HG3 GLU 27 37.369 13.857 4.306 204 H ASN 28 H ASN 28 37.682 8.900 4.335 205 HA ASN 28 HA ASN 28 39.353 7.843 5.546 206 HB2 ASN 28 HB2 ASN 28 41.223 7.793 4.258 207 HB3 ASN 28 HB3 ASN 28 40.258 8.786 3.170 208 HD21 ASN 28 HD21 ASN 28 43.283 8.749 3.854 209 HD22 ASN 28 HD22 ASN 28 43.631 10.375 4.195 Start of MODEL 13 1 H1 ACE 0 H1 ACE 0 -0.616 -18.259 1.103 2 H2 ACE 0 H2 ACE 0 -0.152 -19.236 2.497 3 H3 ACE 0 H3 ACE 0 0.522 -19.592 0.906 4 H SER 1 H SER 1 1.885 -17.884 -0.083 5 HA SER 1 HA SER 1 2.946 -15.785 1.566 6 HB2 SER 1 HB2 SER 1 4.106 -18.376 1.831 7 HB3 SER 1 HB3 SER 1 5.261 -17.345 0.991 8 HG SER 1 HG SER 1 3.867 -16.407 3.251 9 H ASP 2 H ASP 2 2.339 -17.229 -1.350 10 HA ASP 2 HA ASP 2 4.434 -16.483 -3.028 11 HB2 ASP 2 HB2 ASP 2 1.529 -16.268 -3.809 12 HB3 ASP 2 HB3 ASP 2 2.904 -16.684 -4.829 13 H ALA 3 H ALA 3 1.742 -14.566 -1.774 14 HA ALA 3 HA ALA 3 2.090 -12.270 -3.354 15 HB1 ALA 3 HB1 ALA 3 0.312 -12.988 -1.447 16 HB2 ALA 3 HB2 ALA 3 0.507 -11.332 -2.020 17 HB3 ALA 3 HB3 ALA 3 1.301 -11.849 -0.533 18 H ALA 4 H ALA 4 4.087 -13.594 -0.930 19 HA ALA 4 HA ALA 4 5.237 -11.315 0.228 20 HB1 ALA 4 HB1 ALA 4 6.728 -13.856 -0.440 21 HB2 ALA 4 HB2 ALA 4 5.597 -13.731 0.907 22 HB3 ALA 4 HB3 ALA 4 7.049 -12.730 0.880 23 H VAL 5 H VAL 5 5.502 -12.579 -2.960 24 HA VAL 5 HA VAL 5 8.025 -11.624 -3.718 25 HB VAL 5 HB VAL 5 7.011 -11.574 -6.040 26 HG11 VAL 5 HG11 VAL 5 7.954 -13.623 -4.657 27 HG12 VAL 5 HG12 VAL 5 7.152 -13.889 -6.205 28 HG13 VAL 5 HG13 VAL 5 6.273 -14.152 -4.701 29 HG21 VAL 5 HG21 VAL 5 4.664 -13.007 -5.616 30 HG22 VAL 5 HG22 VAL 5 4.763 -11.311 -6.086 31 HG23 VAL 5 HG23 VAL 5 4.602 -11.747 -4.384 32 H ASP 6 H ASP 6 4.858 -10.043 -3.595 33 HA ASP 6 HA ASP 6 5.605 -7.642 -4.879 34 HB2 ASP 6 HB2 ASP 6 3.359 -8.602 -3.283 35 HB3 ASP 6 HB3 ASP 6 3.723 -6.905 -2.976 36 H THR 7 H THR 7 5.738 -8.691 -1.515 37 HA THR 7 HA THR 7 6.651 -6.248 -0.412 38 HB THR 7 HB THR 7 7.369 -7.603 1.508 39 HG1 THR 7 HG1 THR 7 6.535 -9.989 0.716 40 HG21 THR 7 HG21 THR 7 5.217 -8.447 2.107 41 HG22 THR 7 HG22 THR 7 4.784 -8.731 0.421 42 HG23 THR 7 HG23 THR 7 4.922 -7.081 1.030 43 H SER 8 H SER 8 8.247 -8.996 -1.914 44 HA SER 8 HA SER 8 10.888 -8.628 -1.281 45 HB2 SER 8 HB2 SER 8 9.513 -10.088 -3.178 46 HB3 SER 8 HB3 SER 8 10.513 -9.021 -4.158 47 HG SER 8 HG SER 8 12.119 -10.254 -3.639 48 H SER 9 H SER 9 8.843 -6.417 -2.879 49 HA SER 9 HA SER 9 10.460 -5.007 -4.604 50 HB2 SER 9 HB2 SER 9 8.149 -4.347 -2.896 51 HB3 SER 9 HB3 SER 9 9.143 -2.970 -3.364 52 HG SER 9 HG SER 9 8.381 -4.918 -5.252 53 H GLU 10 H GLU 10 10.867 -5.430 -1.238 54 HA GLU 10 HA GLU 10 12.302 -3.040 -0.646 55 HB2 GLU 10 HB2 GLU 10 11.417 -5.337 0.767 56 HB3 GLU 10 HB3 GLU 10 13.158 -5.217 1.013 57 HG2 GLU 10 HG2 GLU 10 12.918 -2.880 1.723 58 HG3 GLU 10 HG3 GLU 10 11.182 -2.956 1.431 59 H ILE 11 H ILE 11 13.201 -6.198 -1.891 60 HA ILE 11 HA ILE 11 15.323 -7.094 -2.314 61 HB ILE 11 HB ILE 11 16.431 -5.310 -4.006 62 HG12 ILE 11 HG12 ILE 11 13.485 -4.587 -3.858 63 HG13 ILE 11 HG13 ILE 11 14.814 -3.542 -3.353 64 HG21 ILE 11 HG21 ILE 11 13.900 -6.874 -4.595 65 HG22 ILE 11 HG22 ILE 11 15.514 -7.581 -4.512 66 HG23 ILE 11 HG23 ILE 11 15.133 -6.395 -5.761 67 HD11 ILE 11 HD11 ILE 11 14.699 -2.762 -5.491 68 HD12 ILE 11 HD12 ILE 11 13.865 -4.202 -6.073 69 HD13 ILE 11 HD13 ILE 11 15.618 -4.217 -5.874 70 H THR 12 H THR 12 16.767 -4.047 -2.912 71 HA THR 12 HA THR 12 17.988 -3.845 -0.268 72 HB THR 12 HB THR 12 20.066 -4.573 -0.798 73 HG1 THR 12 HG1 THR 12 19.581 -3.496 -3.373 74 HG21 THR 12 HG21 THR 12 20.092 -6.330 -2.530 75 HG22 THR 12 HG22 THR 12 18.557 -5.731 -3.157 76 HG23 THR 12 HG23 THR 12 18.635 -6.432 -1.541 77 H THR 13 H THR 13 16.265 -2.069 -1.499 78 HA THR 13 HA THR 13 17.849 0.026 -2.757 79 HB THR 13 HB THR 13 14.924 -0.222 -2.055 80 HG1 THR 13 HG1 THR 13 15.964 -1.268 -3.936 81 HG21 THR 13 HG21 THR 13 15.493 2.099 -1.730 82 HG22 THR 13 HG22 THR 13 14.703 1.957 -3.301 83 HG23 THR 13 HG23 THR 13 16.457 2.119 -3.207 84 H LYS 14 H LYS 14 15.892 -0.350 0.197 85 HA LYS 14 HA LYS 14 16.739 2.167 1.283 86 HB2 LYS 14 HB2 LYS 14 14.585 1.221 1.920 87 HB3 LYS 14 HB3 LYS 14 15.380 -0.212 2.575 88 HG2 LYS 14 HG2 LYS 14 16.240 0.936 4.409 89 HG3 LYS 14 HG3 LYS 14 16.190 2.495 3.583 90 HD2 LYS 14 HD2 LYS 14 13.766 2.563 3.743 91 HD3 LYS 14 HD3 LYS 14 13.728 0.935 4.419 92 HE2 LYS 14 HE2 LYS 14 14.174 3.465 5.769 93 HE3 LYS 14 HE3 LYS 14 13.870 1.873 6.463 94 HZ1 LYS 14 HZ1 LYS 14 16.141 3.094 6.824 95 HZ2 LYS 14 HZ2 LYS 14 16.509 2.408 5.314 96 HZ3 LYS 14 HZ3 LYS 14 16.079 1.411 6.622 97 H ASP 15 H ASP 15 17.802 -1.158 1.503 98 HA ASP 15 HA ASP 15 19.484 -0.941 3.761 99 HB2 ASP 15 HB2 ASP 15 19.226 -2.766 1.436 100 HB3 ASP 15 HB3 ASP 15 20.763 -2.785 2.297 101 H LEU 16 H LEU 16 19.889 -0.138 0.378 102 HA LEU 16 HA LEU 16 22.649 0.179 0.212 103 HB2 LEU 16 HB2 LEU 16 20.701 0.495 -1.556 104 HB3 LEU 16 HB3 LEU 16 20.858 2.189 -1.091 105 HG LEU 16 HG LEU 16 23.381 1.896 -1.471 106 HD11 LEU 16 HD11 LEU 16 24.186 -0.077 -2.224 107 HD12 LEU 16 HD12 LEU 16 22.909 -0.218 -3.433 108 HD13 LEU 16 HD13 LEU 16 22.625 -0.768 -1.780 109 HD21 LEU 16 HD21 LEU 16 21.995 3.154 -3.033 110 HD22 LEU 16 HD22 LEU 16 21.423 1.661 -3.778 111 HD23 LEU 16 HD23 LEU 16 23.111 2.144 -3.952 112 H LYS 17 H LYS 17 20.212 2.132 1.741 113 HA LYS 17 HA LYS 17 21.621 4.556 1.994 114 HB2 LYS 17 HB2 LYS 17 19.153 3.999 2.578 115 HB3 LYS 17 HB3 LYS 17 19.800 3.542 4.155 116 HG2 LYS 17 HG2 LYS 17 20.887 5.785 4.316 117 HG3 LYS 17 HG3 LYS 17 20.111 6.235 2.796 118 HD2 LYS 17 HD2 LYS 17 18.562 7.057 4.318 119 HD3 LYS 17 HD3 LYS 17 17.921 5.434 4.053 120 HE2 LYS 17 HE2 LYS 17 19.762 5.004 6.053 121 HE3 LYS 17 HE3 LYS 17 19.133 6.599 6.468 122 HZ1 LYS 17 HZ1 LYS 17 17.140 5.764 6.981 123 HZ2 LYS 17 HZ2 LYS 17 17.941 4.269 7.086 124 HZ3 LYS 17 HZ3 LYS 17 17.120 4.697 5.662 125 H GLU 18 H GLU 18 21.465 1.742 4.136 126 HA GLU 18 HA GLU 18 23.195 2.763 6.132 127 HB2 GLU 18 HB2 GLU 18 21.937 0.905 6.811 128 HB3 GLU 18 HB3 GLU 18 22.306 0.001 5.342 129 HG2 GLU 18 HG2 GLU 18 24.609 0.791 7.059 130 HG3 GLU 18 HG3 GLU 18 23.558 -0.490 7.665 131 H LYS 19 H LYS 19 23.738 0.931 3.172 132 HA LYS 19 HA LYS 19 26.540 0.531 3.606 133 HB2 LYS 19 HB2 LYS 19 25.028 -0.815 2.050 134 HB3 LYS 19 HB3 LYS 19 25.133 0.545 0.933 135 HG2 LYS 19 HG2 LYS 19 27.762 -0.193 1.939 136 HG3 LYS 19 HG3 LYS 19 26.966 -1.562 1.162 137 HD2 LYS 19 HD2 LYS 19 26.591 -0.270 -0.859 138 HD3 LYS 19 HD3 LYS 19 27.206 1.190 -0.085 139 HE2 LYS 19 HE2 LYS 19 29.262 0.638 -0.815 140 HE3 LYS 19 HE3 LYS 19 29.216 -0.757 0.261 141 HZ1 LYS 19 HZ1 LYS 19 29.001 -0.658 -2.579 142 HZ2 LYS 19 HZ2 LYS 19 27.686 -1.482 -1.887 143 HZ3 LYS 19 HZ3 LYS 19 29.276 -1.990 -1.567 144 H LYS 20 H LYS 20 24.571 2.940 1.941 145 HA LYS 20 HA LYS 20 26.669 4.332 0.658 146 HB2 LYS 20 HB2 LYS 20 24.206 4.597 0.191 147 HB3 LYS 20 HB3 LYS 20 24.085 5.519 1.690 148 HG2 LYS 20 HG2 LYS 20 25.590 7.204 0.874 149 HG3 LYS 20 HG3 LYS 20 26.019 6.224 -0.529 150 HD2 LYS 20 HD2 LYS 20 24.367 7.251 -1.662 151 HD3 LYS 20 HD3 LYS 20 23.215 6.434 -0.604 152 HE2 LYS 20 HE2 LYS 20 24.568 9.024 0.173 153 HE3 LYS 20 HE3 LYS 20 23.031 8.982 -0.691 154 HZ1 LYS 20 HZ1 LYS 20 22.802 9.114 1.753 155 HZ2 LYS 20 HZ2 LYS 20 23.537 7.588 1.880 156 HZ3 LYS 20 HZ3 LYS 20 22.045 7.753 1.081 157 H GLU 21 H GLU 21 25.361 4.437 3.913 158 HA GLU 21 HA GLU 21 26.525 6.850 4.786 159 HB2 GLU 21 HB2 GLU 21 25.681 4.325 6.195 160 HB3 GLU 21 HB3 GLU 21 26.446 5.648 7.076 161 HG2 GLU 21 HG2 GLU 21 24.650 7.133 5.863 162 HG3 GLU 21 HG3 GLU 21 23.797 5.604 5.661 163 H VAL 22 H VAL 22 27.795 3.586 4.472 164 HA VAL 22 HA VAL 22 30.158 3.852 5.952 165 HB VAL 22 HB VAL 22 29.679 2.258 3.419 166 HG11 VAL 22 HG11 VAL 22 31.496 0.834 4.760 167 HG12 VAL 22 HG12 VAL 22 31.923 2.427 5.386 168 HG13 VAL 22 HG13 VAL 22 31.973 2.120 3.650 169 HG21 VAL 22 HG21 VAL 22 29.399 0.402 5.171 170 HG22 VAL 22 HG22 VAL 22 28.082 1.570 5.056 171 HG23 VAL 22 HG23 VAL 22 29.260 1.695 6.363 172 H VAL 23 H VAL 23 29.220 5.144 2.879 173 HA VAL 23 HA VAL 23 31.624 5.601 1.592 174 HB VAL 23 HB VAL 23 29.188 6.230 0.914 175 HG11 VAL 23 HG11 VAL 23 30.098 8.860 2.113 176 HG12 VAL 23 HG12 VAL 23 28.941 7.782 2.895 177 HG13 VAL 23 HG13 VAL 23 28.550 8.517 1.340 178 HG21 VAL 23 HG21 VAL 23 30.421 6.845 -0.872 179 HG22 VAL 23 HG22 VAL 23 31.799 7.251 0.151 180 HG23 VAL 23 HG23 VAL 23 30.543 8.451 -0.156 181 H GLU 24 H GLU 24 30.579 6.805 4.610 182 HA GLU 24 HA GLU 24 31.764 9.290 4.847 183 HB2 GLU 24 HB2 GLU 24 31.181 7.060 6.711 184 HB3 GLU 24 HB3 GLU 24 32.360 8.249 7.265 185 HG2 GLU 24 HG2 GLU 24 30.694 10.048 6.619 186 HG3 GLU 24 HG3 GLU 24 29.513 8.762 6.374 187 H GLU 25 H GLU 25 33.251 6.100 4.922 188 HA GLU 25 HA GLU 25 35.819 6.788 5.778 189 HB2 GLU 25 HB2 GLU 25 34.569 4.491 4.762 190 HB3 GLU 25 HB3 GLU 25 35.903 4.814 3.655 191 HG2 GLU 25 HG2 GLU 25 37.390 5.075 5.695 192 HG3 GLU 25 HG3 GLU 25 36.050 4.454 6.658 193 H ALA 26 H ALA 26 34.132 7.682 2.979 194 HA ALA 26 HA ALA 26 36.223 7.935 1.098 195 HB1 ALA 26 HB1 ALA 26 34.742 9.438 -0.088 196 HB2 ALA 26 HB2 ALA 26 33.777 9.696 1.363 197 HB3 ALA 26 HB3 ALA 26 33.784 8.117 0.578 198 H GLU 27 H GLU 27 35.238 9.908 3.815 199 HA GLU 27 HA GLU 27 36.669 12.269 3.095 200 HB2 GLU 27 HB2 GLU 27 35.527 11.188 5.662 201 HB3 GLU 27 HB3 GLU 27 36.550 12.622 5.681 202 HG2 GLU 27 HG2 GLU 27 34.844 13.249 3.640 203 HG3 GLU 27 HG3 GLU 27 33.789 12.287 4.672 204 H ASN 28 H ASN 28 37.517 9.291 4.732 205 HA ASN 28 HA ASN 28 39.542 8.427 5.386 206 HB2 ASN 28 HB2 ASN 28 40.726 10.681 3.753 207 HB3 ASN 28 HB3 ASN 28 41.542 9.203 4.257 208 HD21 ASN 28 HD21 ASN 28 39.762 10.603 1.717 209 HD22 ASN 28 HD22 ASN 28 39.381 9.176 0.880 Start of MODEL 14 1 H1 ACE 0 H1 ACE 0 0.930 -17.192 -6.702 2 H2 ACE 0 H2 ACE 0 2.234 -17.053 -7.883 3 H3 ACE 0 H3 ACE 0 1.265 -15.638 -7.467 4 H SER 1 H SER 1 4.067 -17.414 -6.760 5 HA SER 1 HA SER 1 4.574 -15.728 -4.392 6 HB2 SER 1 HB2 SER 1 5.191 -17.488 -3.100 7 HB3 SER 1 HB3 SER 1 4.168 -18.407 -4.201 8 HG SER 1 HG SER 1 6.508 -19.044 -3.812 9 H ASP 2 H ASP 2 6.190 -17.910 -6.676 10 HA ASP 2 HA ASP 2 8.770 -16.944 -6.472 11 HB2 ASP 2 HB2 ASP 2 7.495 -17.780 -9.081 12 HB3 ASP 2 HB3 ASP 2 9.193 -17.911 -8.618 13 H ALA 3 H ALA 3 6.047 -15.644 -8.287 14 HA ALA 3 HA ALA 3 7.358 -13.753 -9.862 15 HB1 ALA 3 HB1 ALA 3 5.273 -12.773 -10.187 16 HB2 ALA 3 HB2 ALA 3 4.761 -13.074 -8.526 17 HB3 ALA 3 HB3 ALA 3 4.820 -14.401 -9.686 18 H ALA 4 H ALA 4 6.490 -13.704 -6.460 19 HA ALA 4 HA ALA 4 6.937 -10.980 -5.917 20 HB1 ALA 4 HB1 ALA 4 5.891 -12.645 -4.353 21 HB2 ALA 4 HB2 ALA 4 7.127 -11.636 -3.603 22 HB3 ALA 4 HB3 ALA 4 7.502 -13.298 -4.058 23 H VAL 5 H VAL 5 9.097 -13.434 -6.822 24 HA VAL 5 HA VAL 5 11.448 -12.770 -5.484 25 HB VAL 5 HB VAL 5 11.031 -13.833 -8.284 26 HG11 VAL 5 HG11 VAL 5 13.472 -14.701 -7.668 27 HG12 VAL 5 HG12 VAL 5 13.489 -13.234 -6.689 28 HG13 VAL 5 HG13 VAL 5 13.229 -13.130 -8.431 29 HG21 VAL 5 HG21 VAL 5 10.345 -15.050 -6.006 30 HG22 VAL 5 HG22 VAL 5 12.068 -15.427 -5.977 31 HG23 VAL 5 HG23 VAL 5 11.075 -15.944 -7.340 32 H ASP 6 H ASP 6 9.981 -11.354 -8.383 33 HA ASP 6 HA ASP 6 12.147 -9.702 -9.109 34 HB2 ASP 6 HB2 ASP 6 9.778 -10.195 -10.251 35 HB3 ASP 6 HB3 ASP 6 9.375 -8.672 -9.459 36 H THR 7 H THR 7 9.446 -9.246 -6.889 37 HA THR 7 HA THR 7 10.012 -6.559 -6.181 38 HB THR 7 HB THR 7 8.548 -6.916 -4.292 39 HG1 THR 7 HG1 THR 7 8.203 -9.605 -4.769 40 HG21 THR 7 HG21 THR 7 6.963 -6.818 -5.893 41 HG22 THR 7 HG22 THR 7 6.858 -8.573 -5.744 42 HG23 THR 7 HG23 THR 7 7.892 -7.853 -6.978 43 H SER 8 H SER 8 11.123 -9.686 -4.992 44 HA SER 8 HA SER 8 12.367 -9.018 -2.628 45 HB2 SER 8 HB2 SER 8 13.415 -11.039 -2.790 46 HB3 SER 8 HB3 SER 8 12.277 -11.257 -4.117 47 HG SER 8 HG SER 8 15.017 -10.757 -4.146 48 H SER 9 H SER 9 13.141 -7.882 -5.759 49 HA SER 9 HA SER 9 15.915 -7.357 -5.390 50 HB2 SER 9 HB2 SER 9 14.925 -7.390 -7.620 51 HB3 SER 9 HB3 SER 9 13.889 -6.027 -7.206 52 HG SER 9 HG SER 9 15.617 -5.121 -8.177 53 H GLU 10 H GLU 10 12.976 -5.595 -4.606 54 HA GLU 10 HA GLU 10 14.234 -3.108 -4.019 55 HB2 GLU 10 HB2 GLU 10 11.562 -4.257 -3.835 56 HB3 GLU 10 HB3 GLU 10 11.934 -3.214 -2.461 57 HG2 GLU 10 HG2 GLU 10 12.302 -1.337 -3.820 58 HG3 GLU 10 HG3 GLU 10 12.572 -2.315 -5.261 59 H ILE 11 H ILE 11 14.257 -6.090 -2.413 60 HA ILE 11 HA ILE 11 14.285 -5.231 0.291 61 HB ILE 11 HB ILE 11 14.034 -7.623 -0.683 62 HG12 ILE 11 HG12 ILE 11 15.617 -6.847 1.769 63 HG13 ILE 11 HG13 ILE 11 13.928 -7.342 1.668 64 HG21 ILE 11 HG21 ILE 11 16.973 -7.831 -0.159 65 HG22 ILE 11 HG22 ILE 11 16.449 -7.245 -1.738 66 HG23 ILE 11 HG23 ILE 11 15.941 -8.837 -1.176 67 HD11 ILE 11 HD11 ILE 11 15.223 -9.197 2.551 68 HD12 ILE 11 HD12 ILE 11 16.356 -9.096 1.205 69 HD13 ILE 11 HD13 ILE 11 14.692 -9.608 0.920 70 H THR 12 H THR 12 16.061 -3.756 -1.658 71 HA THR 12 HA THR 12 18.483 -3.864 0.020 72 HB THR 12 HB THR 12 19.799 -3.371 -2.119 73 HG1 THR 12 HG1 THR 12 17.537 -3.180 -3.178 74 HG21 THR 12 HG21 THR 12 19.911 -5.529 -0.952 75 HG22 THR 12 HG22 THR 12 19.938 -5.771 -2.698 76 HG23 THR 12 HG23 THR 12 18.456 -6.070 -1.789 77 H THR 13 H THR 13 15.999 -2.041 -1.294 78 HA THR 13 HA THR 13 17.119 0.391 -1.982 79 HB THR 13 HB THR 13 14.745 0.080 -2.198 80 HG1 THR 13 HG1 THR 13 14.765 1.877 -0.078 81 HG21 THR 13 HG21 THR 13 13.374 -0.708 -0.550 82 HG22 THR 13 HG22 THR 13 14.211 0.188 0.717 83 HG23 THR 13 HG23 THR 13 14.887 -1.323 0.113 84 H LYS 14 H LYS 14 16.361 -0.860 1.240 85 HA LYS 14 HA LYS 14 17.300 1.484 2.600 86 HB2 LYS 14 HB2 LYS 14 17.205 -0.062 4.617 87 HB3 LYS 14 HB3 LYS 14 15.686 0.154 3.749 88 HG2 LYS 14 HG2 LYS 14 16.931 -1.981 2.440 89 HG3 LYS 14 HG3 LYS 14 17.249 -2.271 4.151 90 HD2 LYS 14 HD2 LYS 14 14.927 -2.261 4.689 91 HD3 LYS 14 HD3 LYS 14 14.490 -1.571 3.126 92 HE2 LYS 14 HE2 LYS 14 14.208 -3.656 2.334 93 HE3 LYS 14 HE3 LYS 14 15.933 -3.938 2.566 94 HZ1 LYS 14 HZ1 LYS 14 14.433 -4.091 5.004 95 HZ2 LYS 14 HZ2 LYS 14 15.553 -5.188 4.350 96 HZ3 LYS 14 HZ3 LYS 14 13.928 -5.235 3.857 97 H ASP 15 H ASP 15 18.657 -1.634 1.696 98 HA ASP 15 HA ASP 15 21.024 -1.596 3.187 99 HB2 ASP 15 HB2 ASP 15 20.047 -3.357 1.493 100 HB3 ASP 15 HB3 ASP 15 21.045 -2.486 0.330 101 H LEU 16 H LEU 16 20.147 -0.109 0.139 102 HA LEU 16 HA LEU 16 22.600 0.940 -0.663 103 HB2 LEU 16 HB2 LEU 16 19.767 1.399 -1.214 104 HB3 LEU 16 HB3 LEU 16 20.721 2.879 -1.326 105 HG LEU 16 HG LEU 16 21.545 0.295 -2.665 106 HD11 LEU 16 HD11 LEU 16 19.269 1.534 -3.354 107 HD12 LEU 16 HD12 LEU 16 20.350 0.832 -4.558 108 HD13 LEU 16 HD13 LEU 16 20.403 2.563 -4.229 109 HD21 LEU 16 HD21 LEU 16 22.678 2.221 -4.112 110 HD22 LEU 16 HD22 LEU 16 23.433 1.641 -2.627 111 HD23 LEU 16 HD23 LEU 16 22.494 3.134 -2.614 112 H LYS 17 H LYS 17 20.340 1.909 1.798 113 HA LYS 17 HA LYS 17 21.401 4.524 2.252 114 HB2 LYS 17 HB2 LYS 17 19.155 3.276 3.080 115 HB3 LYS 17 HB3 LYS 17 20.156 3.093 4.523 116 HG2 LYS 17 HG2 LYS 17 20.607 5.523 4.511 117 HG3 LYS 17 HG3 LYS 17 19.579 5.701 3.088 118 HD2 LYS 17 HD2 LYS 17 18.036 6.175 4.744 119 HD3 LYS 17 HD3 LYS 17 17.826 4.426 4.632 120 HE2 LYS 17 HE2 LYS 17 19.651 4.256 6.434 121 HE3 LYS 17 HE3 LYS 17 19.407 5.985 6.682 122 HZ1 LYS 17 HZ1 LYS 17 17.341 5.671 7.531 123 HZ2 LYS 17 HZ2 LYS 17 18.033 4.193 8.003 124 HZ3 LYS 17 HZ3 LYS 17 17.042 4.269 6.625 125 H GLU 18 H GLU 18 21.741 1.477 4.027 126 HA GLU 18 HA GLU 18 23.665 2.340 5.871 127 HB2 GLU 18 HB2 GLU 18 23.157 -0.397 4.683 128 HB3 GLU 18 HB3 GLU 18 24.257 -0.100 6.031 129 HG2 GLU 18 HG2 GLU 18 22.503 0.630 7.449 130 HG3 GLU 18 HG3 GLU 18 21.388 0.834 6.099 131 H LYS 19 H LYS 19 23.968 1.079 2.594 132 HA LYS 19 HA LYS 19 26.831 0.946 2.634 133 HB2 LYS 19 HB2 LYS 19 25.190 -0.303 1.073 134 HB3 LYS 19 HB3 LYS 19 25.169 1.192 0.137 135 HG2 LYS 19 HG2 LYS 19 27.039 0.419 -0.871 136 HG3 LYS 19 HG3 LYS 19 27.869 0.789 0.640 137 HD2 LYS 19 HD2 LYS 19 27.093 -1.538 1.429 138 HD3 LYS 19 HD3 LYS 19 26.737 -1.857 -0.269 139 HE2 LYS 19 HE2 LYS 19 28.941 -2.627 -0.067 140 HE3 LYS 19 HE3 LYS 19 29.167 -0.991 -0.685 141 HZ1 LYS 19 HZ1 LYS 19 29.975 -0.258 1.279 142 HZ2 LYS 19 HZ2 LYS 19 30.417 -1.889 1.454 143 HZ3 LYS 19 HZ3 LYS 19 29.015 -1.299 2.210 144 H LYS 20 H LYS 20 24.458 3.402 1.908 145 HA LYS 20 HA LYS 20 26.275 5.150 0.523 146 HB2 LYS 20 HB2 LYS 20 23.815 5.248 0.195 147 HB3 LYS 20 HB3 LYS 20 23.635 5.795 1.863 148 HG2 LYS 20 HG2 LYS 20 24.341 7.900 1.376 149 HG3 LYS 20 HG3 LYS 20 25.607 7.323 0.291 150 HD2 LYS 20 HD2 LYS 20 23.999 8.520 -1.053 151 HD3 LYS 20 HD3 LYS 20 23.799 6.801 -1.398 152 HE2 LYS 20 HE2 LYS 20 21.668 6.852 -0.678 153 HE3 LYS 20 HE3 LYS 20 22.164 7.549 0.865 154 HZ1 LYS 20 HZ1 LYS 20 21.490 8.962 -1.646 155 HZ2 LYS 20 HZ2 LYS 20 22.331 9.721 -0.379 156 HZ3 LYS 20 HZ3 LYS 20 20.761 9.124 -0.123 157 H GLU 21 H GLU 21 25.301 4.634 3.837 158 HA GLU 21 HA GLU 21 26.289 7.043 4.941 159 HB2 GLU 21 HB2 GLU 21 25.434 4.404 5.941 160 HB3 GLU 21 HB3 GLU 21 26.615 5.231 6.958 161 HG2 GLU 21 HG2 GLU 21 25.189 7.245 6.976 162 HG3 GLU 21 HG3 GLU 21 24.006 6.419 5.963 163 H VAL 22 H VAL 22 27.811 3.969 4.126 164 HA VAL 22 HA VAL 22 30.244 4.314 5.486 165 HB VAL 22 HB VAL 22 31.106 2.578 4.147 166 HG11 VAL 22 HG11 VAL 22 29.240 1.786 5.477 167 HG12 VAL 22 HG12 VAL 22 29.177 0.985 3.907 168 HG13 VAL 22 HG13 VAL 22 28.086 2.324 4.257 169 HG21 VAL 22 HG21 VAL 22 30.994 2.973 1.916 170 HG22 VAL 22 HG22 VAL 22 29.504 3.904 2.066 171 HG23 VAL 22 HG23 VAL 22 29.440 2.142 1.988 172 H VAL 23 H VAL 23 28.979 5.924 2.718 173 HA VAL 23 HA VAL 23 31.110 6.621 1.171 174 HB VAL 23 HB VAL 23 28.737 8.176 2.131 175 HG11 VAL 23 HG11 VAL 23 29.510 9.977 0.473 176 HG12 VAL 23 HG12 VAL 23 31.114 9.257 0.607 177 HG13 VAL 23 HG13 VAL 23 30.332 9.941 2.032 178 HG21 VAL 23 HG21 VAL 23 29.775 7.145 -0.522 179 HG22 VAL 23 HG22 VAL 23 28.358 8.187 -0.380 180 HG23 VAL 23 HG23 VAL 23 28.354 6.589 0.365 181 H GLU 24 H GLU 24 30.455 7.655 4.449 182 HA GLU 24 HA GLU 24 32.282 9.781 4.642 183 HB2 GLU 24 HB2 GLU 24 30.682 8.216 6.427 184 HB3 GLU 24 HB3 GLU 24 32.309 8.343 7.093 185 HG2 GLU 24 HG2 GLU 24 32.254 10.743 6.990 186 HG3 GLU 24 HG3 GLU 24 30.758 10.726 6.056 187 H GLU 25 H GLU 25 32.694 6.295 4.904 188 HA GLU 25 HA GLU 25 35.310 6.190 5.883 189 HB2 GLU 25 HB2 GLU 25 33.470 4.330 5.079 190 HB3 GLU 25 HB3 GLU 25 34.667 4.219 3.788 191 HG2 GLU 25 HG2 GLU 25 36.434 4.098 5.634 192 HG3 GLU 25 HG3 GLU 25 35.098 3.845 6.756 193 H ALA 26 H ALA 26 34.098 7.377 2.938 194 HA ALA 26 HA ALA 26 36.359 6.882 1.266 195 HB1 ALA 26 HB1 ALA 26 34.343 9.118 1.026 196 HB2 ALA 26 HB2 ALA 26 34.071 7.478 0.437 197 HB3 ALA 26 HB3 ALA 26 35.361 8.462 -0.257 198 H GLU 27 H GLU 27 35.312 9.682 3.149 199 HA GLU 27 HA GLU 27 37.687 11.190 2.521 200 HB2 GLU 27 HB2 GLU 27 35.393 12.175 2.992 201 HB3 GLU 27 HB3 GLU 27 35.684 11.801 4.691 202 HG2 GLU 27 HG2 GLU 27 36.351 14.113 4.199 203 HG3 GLU 27 HG3 GLU 27 37.761 13.142 4.620 204 H ASN 28 H ASN 28 36.508 9.287 5.236 205 HA ASN 28 HA ASN 28 39.229 9.282 6.340 206 HB2 ASN 28 HB2 ASN 28 38.096 11.057 7.565 207 HB3 ASN 28 HB3 ASN 28 36.747 9.980 7.925 208 HD21 ASN 28 HD21 ASN 28 40.295 9.368 8.066 209 HD22 ASN 28 HD22 ASN 28 40.296 8.920 9.704 Start of MODEL 15 1 H1 ACE 0 H1 ACE 0 35.292 -2.816 -9.474 2 H2 ACE 0 H2 ACE 0 35.991 -3.168 -7.894 3 H3 ACE 0 H3 ACE 0 35.909 -1.502 -8.472 4 H SER 1 H SER 1 34.099 -4.190 -7.153 5 HA SER 1 HA SER 1 32.184 -4.195 -5.866 6 HB2 SER 1 HB2 SER 1 31.732 -1.276 -6.343 7 HB3 SER 1 HB3 SER 1 31.407 -2.239 -4.904 8 HG SER 1 HG SER 1 33.816 -2.490 -4.895 9 H ASP 2 H ASP 2 32.469 -3.397 -9.061 10 HA ASP 2 HA ASP 2 29.995 -2.590 -9.969 11 HB2 ASP 2 HB2 ASP 2 31.926 -4.598 -11.140 12 HB3 ASP 2 HB3 ASP 2 30.498 -4.019 -11.999 13 H ALA 3 H ALA 3 31.008 -5.784 -8.882 14 HA ALA 3 HA ALA 3 28.749 -7.248 -9.680 15 HB1 ALA 3 HB1 ALA 3 31.066 -7.665 -8.027 16 HB2 ALA 3 HB2 ALA 3 30.061 -8.858 -8.848 17 HB3 ALA 3 HB3 ALA 3 29.639 -8.319 -7.223 18 H ALA 4 H ALA 4 29.224 -5.009 -7.052 19 HA ALA 4 HA ALA 4 27.203 -5.827 -5.299 20 HB1 ALA 4 HB1 ALA 4 28.060 -2.993 -5.933 21 HB2 ALA 4 HB2 ALA 4 28.853 -4.063 -4.776 22 HB3 ALA 4 HB3 ALA 4 27.201 -3.519 -4.487 23 H VAL 5 H VAL 5 27.027 -3.817 -8.212 24 HA VAL 5 HA VAL 5 24.335 -3.030 -7.951 25 HB VAL 5 HB VAL 5 25.776 -3.538 -10.558 26 HG11 VAL 5 HG11 VAL 5 23.776 -2.800 -11.322 27 HG12 VAL 5 HG12 VAL 5 24.266 -1.219 -10.711 28 HG13 VAL 5 HG13 VAL 5 23.266 -2.278 -9.716 29 HG21 VAL 5 HG21 VAL 5 26.535 -1.173 -10.358 30 HG22 VAL 5 HG22 VAL 5 27.228 -2.199 -9.102 31 HG23 VAL 5 HG23 VAL 5 25.884 -1.124 -8.719 32 H ASP 6 H ASP 6 25.879 -5.862 -9.387 33 HA ASP 6 HA ASP 6 23.570 -7.025 -10.522 34 HB2 ASP 6 HB2 ASP 6 25.589 -8.013 -11.198 35 HB3 ASP 6 HB3 ASP 6 26.199 -8.121 -9.548 36 H THR 7 H THR 7 25.011 -7.120 -7.322 37 HA THR 7 HA THR 7 23.325 -9.059 -6.155 38 HB THR 7 HB THR 7 24.545 -6.666 -4.758 39 HG1 THR 7 HG1 THR 7 26.414 -7.676 -4.831 40 HG21 THR 7 HG21 THR 7 23.337 -9.263 -3.941 41 HG22 THR 7 HG22 THR 7 23.317 -7.704 -3.116 42 HG23 THR 7 HG23 THR 7 24.756 -8.722 -3.043 43 H SER 8 H SER 8 23.011 -5.610 -6.748 44 HA SER 8 HA SER 8 20.867 -4.901 -5.170 45 HB2 SER 8 HB2 SER 8 21.028 -4.128 -8.081 46 HB3 SER 8 HB3 SER 8 20.394 -3.183 -6.737 47 HG SER 8 HG SER 8 22.341 -2.500 -6.387 48 H SER 9 H SER 9 20.955 -7.307 -7.574 49 HA SER 9 HA SER 9 18.438 -7.343 -8.696 50 HB2 SER 9 HB2 SER 9 18.712 -9.726 -8.964 51 HB3 SER 9 HB3 SER 9 20.292 -8.972 -9.158 52 HG SER 9 HG SER 9 20.581 -10.641 -7.756 53 H GLU 10 H GLU 10 19.436 -8.502 -5.508 54 HA GLU 10 HA GLU 10 16.873 -9.503 -4.743 55 HB2 GLU 10 HB2 GLU 10 19.313 -8.683 -3.165 56 HB3 GLU 10 HB3 GLU 10 17.869 -9.376 -2.425 57 HG2 GLU 10 HG2 GLU 10 18.776 -11.400 -2.858 58 HG3 GLU 10 HG3 GLU 10 18.401 -11.088 -4.552 59 H ILE 11 H ILE 11 17.814 -6.461 -5.419 60 HA ILE 11 HA ILE 11 17.035 -4.363 -4.963 61 HB ILE 11 HB ILE 11 14.798 -4.243 -5.092 62 HG12 ILE 11 HG12 ILE 11 14.582 -6.075 -2.679 63 HG13 ILE 11 HG13 ILE 11 14.575 -4.311 -2.626 64 HG21 ILE 11 HG21 ILE 11 13.760 -6.180 -5.877 65 HG22 ILE 11 HG22 ILE 11 14.608 -7.220 -4.733 66 HG23 ILE 11 HG23 ILE 11 15.468 -6.545 -6.117 67 HD11 ILE 11 HD11 ILE 11 12.326 -4.501 -2.807 68 HD12 ILE 11 HD12 ILE 11 12.425 -6.172 -3.363 69 HD13 ILE 11 HD13 ILE 11 12.637 -4.848 -4.508 70 H THR 12 H THR 12 17.993 -3.175 -3.495 71 HA THR 12 HA THR 12 17.337 -3.510 -0.667 72 HB THR 12 HB THR 12 19.965 -3.225 -0.322 73 HG1 THR 12 HG1 THR 12 20.229 -5.057 -2.306 74 HG21 THR 12 HG21 THR 12 18.490 -5.042 0.556 75 HG22 THR 12 HG22 THR 12 20.081 -5.626 0.069 76 HG23 THR 12 HG23 THR 12 18.686 -5.895 -0.975 77 H THR 13 H THR 13 16.590 -1.515 -2.470 78 HA THR 13 HA THR 13 18.170 0.729 -2.713 79 HB THR 13 HB THR 13 15.857 0.422 -3.644 80 HG1 THR 13 HG1 THR 13 15.945 2.490 -3.894 81 HG21 THR 13 HG21 THR 13 14.952 -0.305 -1.355 82 HG22 THR 13 HG22 THR 13 13.945 0.804 -2.287 83 HG23 THR 13 HG23 THR 13 14.921 1.411 -0.950 84 H LYS 14 H LYS 14 15.977 -0.035 -0.003 85 HA LYS 14 HA LYS 14 16.845 2.221 1.533 86 HB2 LYS 14 HB2 LYS 14 14.598 1.197 1.793 87 HB3 LYS 14 HB3 LYS 14 15.357 -0.258 2.438 88 HG2 LYS 14 HG2 LYS 14 16.502 1.430 4.105 89 HG3 LYS 14 HG3 LYS 14 15.152 2.475 3.667 90 HD2 LYS 14 HD2 LYS 14 14.704 -0.385 4.525 91 HD3 LYS 14 HD3 LYS 14 14.835 0.918 5.705 92 HE2 LYS 14 HE2 LYS 14 12.836 1.865 5.091 93 HE3 LYS 14 HE3 LYS 14 13.005 1.383 3.403 94 HZ1 LYS 14 HZ1 LYS 14 12.684 -0.971 4.283 95 HZ2 LYS 14 HZ2 LYS 14 11.317 0.036 4.223 96 HZ3 LYS 14 HZ3 LYS 14 12.108 -0.241 5.702 97 H ASP 15 H ASP 15 17.774 -1.145 1.297 98 HA ASP 15 HA ASP 15 19.356 -1.224 3.679 99 HB2 ASP 15 HB2 ASP 15 18.727 -2.968 1.461 100 HB3 ASP 15 HB3 ASP 15 20.451 -3.019 1.820 101 H LEU 16 H LEU 16 19.840 -0.306 0.359 102 HA LEU 16 HA LEU 16 22.617 -0.133 0.194 103 HB2 LEU 16 HB2 LEU 16 20.457 0.534 -1.408 104 HB3 LEU 16 HB3 LEU 16 21.204 2.095 -1.072 105 HG LEU 16 HG LEU 16 23.443 0.912 -1.647 106 HD11 LEU 16 HD11 LEU 16 22.887 -1.364 -1.759 107 HD12 LEU 16 HD12 LEU 16 22.914 -0.895 -3.459 108 HD13 LEU 16 HD13 LEU 16 21.375 -1.053 -2.612 109 HD21 LEU 16 HD21 LEU 16 23.001 1.266 -4.115 110 HD22 LEU 16 HD22 LEU 16 22.535 2.623 -3.090 111 HD23 LEU 16 HD23 LEU 16 21.304 1.521 -3.708 112 H LYS 17 H LYS 17 20.261 1.856 1.772 113 HA LYS 17 HA LYS 17 21.611 4.258 2.123 114 HB2 LYS 17 HB2 LYS 17 19.252 3.819 2.783 115 HB3 LYS 17 HB3 LYS 17 19.848 2.870 4.146 116 HG2 LYS 17 HG2 LYS 17 21.212 4.989 4.758 117 HG3 LYS 17 HG3 LYS 17 20.125 5.833 3.656 118 HD2 LYS 17 HD2 LYS 17 18.679 4.076 5.493 119 HD3 LYS 17 HD3 LYS 17 19.624 5.298 6.341 120 HE2 LYS 17 HE2 LYS 17 17.609 5.806 4.134 121 HE3 LYS 17 HE3 LYS 17 17.401 6.183 5.846 122 HZ1 LYS 17 HZ1 LYS 17 18.936 7.567 3.818 123 HZ2 LYS 17 HZ2 LYS 17 19.715 7.401 5.319 124 HZ3 LYS 17 HZ3 LYS 17 18.201 8.167 5.223 125 H GLU 18 H GLU 18 21.714 1.348 4.130 126 HA GLU 18 HA GLU 18 23.431 2.314 6.125 127 HB2 GLU 18 HB2 GLU 18 22.736 -0.409 5.099 128 HB3 GLU 18 HB3 GLU 18 24.063 -0.234 6.249 129 HG2 GLU 18 HG2 GLU 18 22.662 0.223 7.968 130 HG3 GLU 18 HG3 GLU 18 21.676 1.307 6.986 131 H LYS 19 H LYS 19 24.171 0.607 3.106 132 HA LYS 19 HA LYS 19 27.002 0.648 3.517 133 HB2 LYS 19 HB2 LYS 19 25.146 -0.130 1.340 134 HB3 LYS 19 HB3 LYS 19 26.777 0.326 0.848 135 HG2 LYS 19 HG2 LYS 19 27.741 -1.297 2.398 136 HG3 LYS 19 HG3 LYS 19 26.134 -1.710 2.999 137 HD2 LYS 19 HD2 LYS 19 26.481 -1.897 0.064 138 HD3 LYS 19 HD3 LYS 19 27.381 -3.080 1.013 139 HE2 LYS 19 HE2 LYS 19 25.457 -4.043 1.892 140 HE3 LYS 19 HE3 LYS 19 24.504 -2.574 1.685 141 HZ1 LYS 19 HZ1 LYS 19 25.430 -4.408 -0.457 142 HZ2 LYS 19 HZ2 LYS 19 24.650 -2.924 -0.736 143 HZ3 LYS 19 HZ3 LYS 19 23.832 -4.179 0.063 144 H LYS 20 H LYS 20 24.665 2.825 2.138 145 HA LYS 20 HA LYS 20 26.520 4.451 0.692 146 HB2 LYS 20 HB2 LYS 20 24.173 4.479 0.090 147 HB3 LYS 20 HB3 LYS 20 23.726 5.013 1.712 148 HG2 LYS 20 HG2 LYS 20 24.979 7.101 1.391 149 HG3 LYS 20 HG3 LYS 20 25.480 6.567 -0.214 150 HD2 LYS 20 HD2 LYS 20 23.630 7.878 -0.740 151 HD3 LYS 20 HD3 LYS 20 22.888 6.284 -0.603 152 HE2 LYS 20 HE2 LYS 20 21.481 7.284 0.872 153 HE3 LYS 20 HE3 LYS 20 22.829 7.159 2.003 154 HZ1 LYS 20 HZ1 LYS 20 23.412 9.389 0.583 155 HZ2 LYS 20 HZ2 LYS 20 22.684 9.364 2.118 156 HZ3 LYS 20 HZ3 LYS 20 21.725 9.479 0.720 157 H GLU 21 H GLU 21 25.244 4.431 3.972 158 HA GLU 21 HA GLU 21 26.156 7.006 4.744 159 HB2 GLU 21 HB2 GLU 21 24.712 4.948 5.938 160 HB3 GLU 21 HB3 GLU 21 26.194 5.033 6.890 161 HG2 GLU 21 HG2 GLU 21 25.849 7.530 7.047 162 HG3 GLU 21 HG3 GLU 21 24.271 7.297 6.295 163 H VAL 22 H VAL 22 27.644 3.819 4.698 164 HA VAL 22 HA VAL 22 29.942 4.361 6.211 165 HB VAL 22 HB VAL 22 29.691 2.518 3.823 166 HG11 VAL 22 HG11 VAL 22 31.405 1.298 5.485 167 HG12 VAL 22 HG12 VAL 22 31.732 2.967 5.953 168 HG13 VAL 22 HG13 VAL 22 31.949 2.461 4.277 169 HG21 VAL 22 HG21 VAL 22 28.693 0.953 5.192 170 HG22 VAL 22 HG22 VAL 22 28.076 2.415 5.964 171 HG23 VAL 22 HG23 VAL 22 29.471 1.578 6.646 172 H VAL 23 H VAL 23 29.054 5.268 2.977 173 HA VAL 23 HA VAL 23 31.432 5.683 1.688 174 HB VAL 23 HB VAL 23 29.037 6.243 0.919 175 HG11 VAL 23 HG11 VAL 23 28.655 7.852 2.821 176 HG12 VAL 23 HG12 VAL 23 28.318 8.531 1.229 177 HG13 VAL 23 HG13 VAL 23 29.817 8.940 2.061 178 HG21 VAL 23 HG21 VAL 23 31.063 8.369 0.230 179 HG22 VAL 23 HG22 VAL 23 29.897 7.576 -0.828 180 HG23 VAL 23 HG23 VAL 23 31.312 6.692 -0.259 181 H GLU 24 H GLU 24 30.369 7.162 4.586 182 HA GLU 24 HA GLU 24 31.626 9.629 4.589 183 HB2 GLU 24 HB2 GLU 24 31.177 7.595 6.762 184 HB3 GLU 24 HB3 GLU 24 31.986 9.127 7.094 185 HG2 GLU 24 HG2 GLU 24 29.387 9.143 5.595 186 HG3 GLU 24 HG3 GLU 24 29.367 8.944 7.347 187 H GLU 25 H GLU 25 32.998 6.416 5.057 188 HA GLU 25 HA GLU 25 35.560 7.124 5.929 189 HB2 GLU 25 HB2 GLU 25 34.557 4.779 5.714 190 HB3 GLU 25 HB3 GLU 25 35.009 4.858 4.010 191 HG2 GLU 25 HG2 GLU 25 37.361 5.483 4.829 192 HG3 GLU 25 HG3 GLU 25 36.822 4.961 6.424 193 H ALA 26 H ALA 26 33.996 7.736 2.984 194 HA ALA 26 HA ALA 26 36.080 7.678 1.115 195 HB1 ALA 26 HB1 ALA 26 33.753 9.608 1.303 196 HB2 ALA 26 HB2 ALA 26 33.745 8.050 0.477 197 HB3 ALA 26 HB3 ALA 26 34.760 9.361 -0.125 198 H GLU 27 H GLU 27 35.435 9.856 3.736 199 HA GLU 27 HA GLU 27 37.108 11.998 2.783 200 HB2 GLU 27 HB2 GLU 27 36.248 11.498 5.635 201 HB3 GLU 27 HB3 GLU 27 36.694 13.034 4.892 202 HG2 GLU 27 HG2 GLU 27 34.691 13.198 3.708 203 HG3 GLU 27 HG3 GLU 27 34.404 11.460 3.749 204 H ASN 28 H ASN 28 37.567 9.050 4.541 205 HA ASN 28 HA ASN 28 39.394 8.134 5.619 206 HB2 ASN 28 HB2 ASN 28 41.555 8.545 4.320 207 HB3 ASN 28 HB3 ASN 28 40.214 7.847 3.414 208 HD21 ASN 28 HD21 ASN 28 38.851 9.473 2.137 209 HD22 ASN 28 HD22 ASN 28 39.635 10.839 1.505 Start of MODEL 16 1 H1 ACE 0 H1 ACE 0 12.424 19.933 -2.364 2 H2 ACE 0 H2 ACE 0 13.892 20.088 -1.400 3 H3 ACE 0 H3 ACE 0 12.334 19.874 -0.604 4 H SER 1 H SER 1 12.330 18.013 -3.350 5 HA SER 1 HA SER 1 12.415 15.744 -3.720 6 HB2 SER 1 HB2 SER 1 14.468 14.778 -3.388 7 HB3 SER 1 HB3 SER 1 14.917 16.462 -3.134 8 HG SER 1 HG SER 1 14.767 14.366 -1.358 9 H ASP 2 H ASP 2 11.283 17.025 -1.028 10 HA ASP 2 HA ASP 2 11.290 15.105 0.976 11 HB2 ASP 2 HB2 ASP 2 9.405 17.249 0.137 12 HB3 ASP 2 HB3 ASP 2 8.791 16.028 1.250 13 H ALA 3 H ALA 3 9.368 15.277 -1.974 14 HA ALA 3 HA ALA 3 7.542 13.216 -1.427 15 HB1 ALA 3 HB1 ALA 3 6.800 13.924 -3.418 16 HB2 ALA 3 HB2 ALA 3 8.173 13.131 -4.192 17 HB3 ALA 3 HB3 ALA 3 8.299 14.816 -3.685 18 H ALA 4 H ALA 4 10.888 13.141 -2.432 19 HA ALA 4 HA ALA 4 11.216 10.667 -3.540 20 HB1 ALA 4 HB1 ALA 4 13.463 10.681 -2.714 21 HB2 ALA 4 HB2 ALA 4 13.027 11.731 -1.366 22 HB3 ALA 4 HB3 ALA 4 13.019 12.361 -3.013 23 H VAL 5 H VAL 5 10.297 11.414 -0.283 24 HA VAL 5 HA VAL 5 10.945 8.999 0.991 25 HB VAL 5 HB VAL 5 8.583 10.817 1.527 26 HG11 VAL 5 HG11 VAL 5 8.181 9.584 3.393 27 HG12 VAL 5 HG12 VAL 5 9.898 9.370 3.730 28 HG13 VAL 5 HG13 VAL 5 9.090 8.319 2.567 29 HG21 VAL 5 HG21 VAL 5 10.029 12.001 3.037 30 HG22 VAL 5 HG22 VAL 5 10.905 11.874 1.512 31 HG23 VAL 5 HG23 VAL 5 11.308 10.800 2.851 32 H ASP 6 H ASP 6 8.167 9.975 -0.961 33 HA ASP 6 HA ASP 6 6.563 7.701 -0.511 34 HB2 ASP 6 HB2 ASP 6 5.408 8.304 -2.556 35 HB3 ASP 6 HB3 ASP 6 5.794 9.780 -1.673 36 H THR 7 H THR 7 9.171 8.393 -2.764 37 HA THR 7 HA THR 7 9.033 6.010 -4.276 38 HB THR 7 HB THR 7 11.088 8.114 -3.785 39 HG1 THR 7 HG1 THR 7 9.732 8.377 -5.497 40 HG21 THR 7 HG21 THR 7 12.643 6.699 -5.277 41 HG22 THR 7 HG22 THR 7 11.665 5.323 -4.769 42 HG23 THR 7 HG23 THR 7 12.549 6.267 -3.570 43 H SER 8 H SER 8 10.496 6.869 -1.205 44 HA SER 8 HA SER 8 12.223 4.797 -0.696 45 HB2 SER 8 HB2 SER 8 11.946 5.261 1.575 46 HB3 SER 8 HB3 SER 8 11.401 6.758 0.823 47 HG SER 8 HG SER 8 9.949 5.904 2.427 48 H SER 9 H SER 9 8.879 4.567 -1.335 49 HA SER 9 HA SER 9 8.015 2.365 0.080 50 HB2 SER 9 HB2 SER 9 7.480 3.271 -2.739 51 HB3 SER 9 HB3 SER 9 6.746 1.799 -2.109 52 HG SER 9 HG SER 9 5.882 3.054 -0.412 53 H GLU 10 H GLU 10 10.379 2.553 -2.459 54 HA GLU 10 HA GLU 10 10.449 -0.089 -3.356 55 HB2 GLU 10 HB2 GLU 10 12.220 2.227 -3.404 56 HB3 GLU 10 HB3 GLU 10 13.110 0.709 -3.291 57 HG2 GLU 10 HG2 GLU 10 12.176 -0.128 -5.288 58 HG3 GLU 10 HG3 GLU 10 10.857 1.042 -5.265 59 H ILE 11 H ILE 11 11.451 1.318 -0.353 60 HA ILE 11 HA ILE 11 12.202 0.391 1.602 61 HB ILE 11 HB ILE 11 11.228 -2.049 0.158 62 HG12 ILE 11 HG12 ILE 11 10.517 -0.827 2.839 63 HG13 ILE 11 HG13 ILE 11 9.701 -0.417 1.330 64 HG21 ILE 11 HG21 ILE 11 13.013 -1.912 2.559 65 HG22 ILE 11 HG22 ILE 11 12.964 -3.117 1.271 66 HG23 ILE 11 HG23 ILE 11 11.727 -3.117 2.529 67 HD11 ILE 11 HD11 ILE 11 8.463 -2.302 1.397 68 HD12 ILE 11 HD12 ILE 11 9.063 -2.543 3.038 69 HD13 ILE 11 HD13 ILE 11 9.891 -3.299 1.676 70 H THR 12 H THR 12 13.438 -1.207 -1.307 71 HA THR 12 HA THR 12 15.917 -1.989 -0.085 72 HB THR 12 HB THR 12 15.123 -3.226 -2.008 73 HG1 THR 12 HG1 THR 12 17.397 -1.613 -2.469 74 HG21 THR 12 HG21 THR 12 15.356 -0.614 -3.526 75 HG22 THR 12 HG22 THR 12 13.840 -1.372 -3.041 76 HG23 THR 12 HG23 THR 12 14.894 -2.172 -4.209 77 H THR 13 H THR 13 14.752 0.951 -0.516 78 HA THR 13 HA THR 13 16.971 2.276 -1.799 79 HB THR 13 HB THR 13 14.700 3.385 -0.128 80 HG1 THR 13 HG1 THR 13 15.083 2.841 -2.856 81 HG21 THR 13 HG21 THR 13 15.305 5.539 -1.106 82 HG22 THR 13 HG22 THR 13 16.610 4.783 -2.021 83 HG23 THR 13 HG23 THR 13 16.699 4.865 -0.261 84 H LYS 14 H LYS 14 15.841 1.731 1.505 85 HA LYS 14 HA LYS 14 17.956 3.253 2.706 86 HB2 LYS 14 HB2 LYS 14 16.167 1.164 3.970 87 HB3 LYS 14 HB3 LYS 14 17.114 2.388 4.816 88 HG2 LYS 14 HG2 LYS 14 15.009 3.098 2.764 89 HG3 LYS 14 HG3 LYS 14 14.644 2.937 4.483 90 HD2 LYS 14 HD2 LYS 14 16.735 4.552 4.734 91 HD3 LYS 14 HD3 LYS 14 16.300 4.999 3.083 92 HE2 LYS 14 HE2 LYS 14 14.700 5.307 5.609 93 HE3 LYS 14 HE3 LYS 14 15.012 6.491 4.340 94 HZ1 LYS 14 HZ1 LYS 14 12.816 4.807 4.591 95 HZ2 LYS 14 HZ2 LYS 14 13.692 4.261 3.240 96 HZ3 LYS 14 HZ3 LYS 14 13.165 5.874 3.320 97 H ASP 15 H ASP 15 17.427 -0.136 1.905 98 HA ASP 15 HA ASP 15 19.497 -1.311 3.370 99 HB2 ASP 15 HB2 ASP 15 17.859 -2.007 1.094 100 HB3 ASP 15 HB3 ASP 15 19.519 -2.535 0.832 101 H LEU 16 H LEU 16 19.466 0.373 0.304 102 HA LEU 16 HA LEU 16 22.167 0.028 -0.433 103 HB2 LEU 16 HB2 LEU 16 19.880 1.442 -1.373 104 HB3 LEU 16 HB3 LEU 16 21.204 2.600 -1.255 105 HG LEU 16 HG LEU 16 21.404 -0.094 -2.639 106 HD11 LEU 16 HD11 LEU 16 20.758 0.881 -4.587 107 HD12 LEU 16 HD12 LEU 16 21.604 2.385 -4.222 108 HD13 LEU 16 HD13 LEU 16 20.003 2.087 -3.545 109 HD21 LEU 16 HD21 LEU 16 23.615 0.342 -2.356 110 HD22 LEU 16 HD22 LEU 16 23.310 2.013 -1.882 111 HD23 LEU 16 HD23 LEU 16 23.386 1.582 -3.589 112 H LYS 17 H LYS 17 20.546 2.180 1.778 113 HA LYS 17 HA LYS 17 22.492 4.179 2.073 114 HB2 LYS 17 HB2 LYS 17 20.147 4.178 3.031 115 HB3 LYS 17 HB3 LYS 17 20.758 3.123 4.306 116 HG2 LYS 17 HG2 LYS 17 22.645 5.115 4.287 117 HG3 LYS 17 HG3 LYS 17 21.175 6.010 3.902 118 HD2 LYS 17 HD2 LYS 17 20.064 4.886 5.865 119 HD3 LYS 17 HD3 LYS 17 21.635 4.210 6.296 120 HE2 LYS 17 HE2 LYS 17 20.823 7.120 6.213 121 HE3 LYS 17 HE3 LYS 17 21.427 6.200 7.591 122 HZ1 LYS 17 HZ1 LYS 17 22.881 7.571 5.567 123 HZ2 LYS 17 HZ2 LYS 17 23.346 5.939 5.645 124 HZ3 LYS 17 HZ3 LYS 17 23.434 6.918 7.032 125 H GLU 18 H GLU 18 22.238 0.989 3.542 126 HA GLU 18 HA GLU 18 24.183 1.262 5.534 127 HB2 GLU 18 HB2 GLU 18 23.176 -1.088 3.955 128 HB3 GLU 18 HB3 GLU 18 24.493 -1.278 5.112 129 HG2 GLU 18 HG2 GLU 18 23.140 -0.907 6.925 130 HG3 GLU 18 HG3 GLU 18 22.120 0.239 6.058 131 H LYS 19 H LYS 19 24.536 0.219 2.157 132 HA LYS 19 HA LYS 19 27.378 -0.100 2.358 133 HB2 LYS 19 HB2 LYS 19 25.335 -0.266 0.217 134 HB3 LYS 19 HB3 LYS 19 26.961 0.172 -0.306 135 HG2 LYS 19 HG2 LYS 19 26.891 -2.209 -0.387 136 HG3 LYS 19 HG3 LYS 19 27.785 -1.820 1.082 137 HD2 LYS 19 HD2 LYS 19 25.533 -1.963 2.304 138 HD3 LYS 19 HD3 LYS 19 24.908 -2.714 0.835 139 HE2 LYS 19 HE2 LYS 19 25.689 -4.675 1.631 140 HE3 LYS 19 HE3 LYS 19 27.312 -4.055 1.329 141 HZ1 LYS 19 HZ1 LYS 19 27.364 -4.583 3.559 142 HZ2 LYS 19 HZ2 LYS 19 25.769 -4.065 3.839 143 HZ3 LYS 19 HZ3 LYS 19 27.007 -2.926 3.601 144 H LYS 20 H LYS 20 25.209 2.488 1.357 145 HA LYS 20 HA LYS 20 27.276 4.175 0.322 146 HB2 LYS 20 HB2 LYS 20 24.375 4.404 0.874 147 HB3 LYS 20 HB3 LYS 20 25.280 5.911 0.969 148 HG2 LYS 20 HG2 LYS 20 26.296 4.960 -1.350 149 HG3 LYS 20 HG3 LYS 20 24.715 4.184 -1.393 150 HD2 LYS 20 HD2 LYS 20 24.488 6.312 -2.486 151 HD3 LYS 20 HD3 LYS 20 23.700 6.455 -0.915 152 HE2 LYS 20 HE2 LYS 20 25.082 8.133 -0.342 153 HE3 LYS 20 HE3 LYS 20 26.483 7.100 -0.617 154 HZ1 LYS 20 HZ1 LYS 20 25.033 8.500 -2.792 155 HZ2 LYS 20 HZ2 LYS 20 26.524 7.694 -2.895 156 HZ3 LYS 20 HZ3 LYS 20 26.398 9.141 -2.016 157 H GLU 21 H GLU 21 25.870 3.599 3.471 158 HA GLU 21 HA GLU 21 26.790 5.950 4.753 159 HB2 GLU 21 HB2 GLU 21 25.182 4.778 5.978 160 HB3 GLU 21 HB3 GLU 21 25.976 3.224 5.721 161 HG2 GLU 21 HG2 GLU 21 27.573 3.610 7.357 162 HG3 GLU 21 HG3 GLU 21 27.469 5.362 7.193 163 H VAL 22 H VAL 22 28.257 2.752 4.275 164 HA VAL 22 HA VAL 22 30.517 3.120 5.900 165 HB VAL 22 HB VAL 22 30.531 1.569 3.313 166 HG11 VAL 22 HG11 VAL 22 32.017 0.093 4.641 167 HG12 VAL 22 HG12 VAL 22 31.854 1.184 6.017 168 HG13 VAL 22 HG13 VAL 22 32.653 1.736 4.546 169 HG21 VAL 22 HG21 VAL 22 28.629 0.606 4.171 170 HG22 VAL 22 HG22 VAL 22 28.970 1.153 5.812 171 HG23 VAL 22 HG23 VAL 22 29.797 -0.263 5.165 172 H VAL 23 H VAL 23 29.876 4.107 2.573 173 HA VAL 23 HA VAL 23 32.460 4.777 1.769 174 HB VAL 23 HB VAL 23 29.880 6.185 1.055 175 HG11 VAL 23 HG11 VAL 23 31.618 7.573 0.279 176 HG12 VAL 23 HG12 VAL 23 31.282 6.539 -1.109 177 HG13 VAL 23 HG13 VAL 23 32.673 6.206 -0.078 178 HG21 VAL 23 HG21 VAL 23 30.403 4.605 -1.043 179 HG22 VAL 23 HG22 VAL 23 29.464 4.031 0.334 180 HG23 VAL 23 HG23 VAL 23 31.177 3.631 0.207 181 H GLU 24 H GLU 24 30.271 6.484 3.917 182 HA GLU 24 HA GLU 24 31.265 9.057 3.839 183 HB2 GLU 24 HB2 GLU 24 30.096 7.380 6.005 184 HB3 GLU 24 HB3 GLU 24 30.849 8.908 6.450 185 HG2 GLU 24 HG2 GLU 24 28.559 9.426 6.036 186 HG3 GLU 24 HG3 GLU 24 29.434 9.983 4.611 187 H GLU 25 H GLU 25 32.640 6.235 5.460 188 HA GLU 25 HA GLU 25 34.656 7.509 6.925 189 HB2 GLU 25 HB2 GLU 25 33.964 4.966 6.752 190 HB3 GLU 25 HB3 GLU 25 35.226 4.922 5.521 191 HG2 GLU 25 HG2 GLU 25 36.535 4.506 7.366 192 HG3 GLU 25 HG3 GLU 25 36.568 6.268 7.408 193 H ALA 26 H ALA 26 34.191 7.052 3.572 194 HA ALA 26 HA ALA 26 36.889 7.345 2.683 195 HB1 ALA 26 HB1 ALA 26 34.520 8.172 1.041 196 HB2 ALA 26 HB2 ALA 26 34.774 6.468 1.417 197 HB3 ALA 26 HB3 ALA 26 36.003 7.368 0.528 198 H GLU 27 H GLU 27 34.235 9.554 3.337 199 HA GLU 27 HA GLU 27 35.215 11.891 2.184 200 HB2 GLU 27 HB2 GLU 27 32.954 11.584 3.243 201 HB3 GLU 27 HB3 GLU 27 33.737 11.731 4.817 202 HG2 GLU 27 HG2 GLU 27 34.211 13.972 4.533 203 HG3 GLU 27 HG3 GLU 27 34.307 13.837 2.779 204 H ASN 28 H ASN 28 36.823 10.028 4.328 205 HA ASN 28 HA ASN 28 38.874 11.884 4.812 206 HB2 ASN 28 HB2 ASN 28 37.928 13.106 6.461 207 HB3 ASN 28 HB3 ASN 28 36.657 11.919 6.736 208 HD21 ASN 28 HD21 ASN 28 39.631 13.159 7.970 209 HD22 ASN 28 HD22 ASN 28 39.862 11.997 9.185 Start of MODEL 17 1 H1 ACE 0 H1 ACE 0 3.068 -18.854 -9.882 2 H2 ACE 0 H2 ACE 0 4.594 -18.595 -10.728 3 H3 ACE 0 H3 ACE 0 3.156 -17.693 -11.205 4 H SER 1 H SER 1 3.140 -18.009 -7.899 5 HA SER 1 HA SER 1 4.072 -15.251 -7.557 6 HB2 SER 1 HB2 SER 1 2.477 -17.117 -5.801 7 HB3 SER 1 HB3 SER 1 3.057 -15.548 -5.251 8 HG SER 1 HG SER 1 0.927 -15.470 -6.134 9 H ASP 2 H ASP 2 4.802 -18.535 -6.565 10 HA ASP 2 HA ASP 2 6.588 -18.013 -4.465 11 HB2 ASP 2 HB2 ASP 2 5.635 -20.262 -5.233 12 HB3 ASP 2 HB3 ASP 2 6.918 -20.265 -6.443 13 H ALA 3 H ALA 3 7.065 -18.067 -7.962 14 HA ALA 3 HA ALA 3 9.868 -17.981 -8.024 15 HB1 ALA 3 HB1 ALA 3 9.010 -16.438 -10.186 16 HB2 ALA 3 HB2 ALA 3 7.679 -17.555 -9.882 17 HB3 ALA 3 HB3 ALA 3 9.301 -18.178 -10.185 18 H ALA 4 H ALA 4 7.534 -15.528 -7.250 19 HA ALA 4 HA ALA 4 8.873 -13.175 -7.810 20 HB1 ALA 4 HB1 ALA 4 7.523 -13.386 -5.162 21 HB2 ALA 4 HB2 ALA 4 6.557 -13.697 -6.605 22 HB3 ALA 4 HB3 ALA 4 7.374 -12.147 -6.409 23 H VAL 5 H VAL 5 9.854 -15.655 -5.702 24 HA VAL 5 HA VAL 5 11.235 -14.247 -3.714 25 HB VAL 5 HB VAL 5 12.643 -16.322 -3.554 26 HG11 VAL 5 HG11 VAL 5 10.634 -17.828 -3.077 27 HG12 VAL 5 HG12 VAL 5 9.626 -16.510 -3.676 28 HG13 VAL 5 HG13 VAL 5 10.641 -16.270 -2.253 29 HG21 VAL 5 HG21 VAL 5 12.807 -17.125 -5.760 30 HG22 VAL 5 HG22 VAL 5 11.081 -16.920 -6.062 31 HG23 VAL 5 HG23 VAL 5 11.646 -18.231 -5.024 32 H ASP 6 H ASP 6 12.195 -15.214 -6.985 33 HA ASP 6 HA ASP 6 14.910 -14.462 -6.794 34 HB2 ASP 6 HB2 ASP 6 13.141 -14.302 -9.248 35 HB3 ASP 6 HB3 ASP 6 14.900 -14.417 -9.220 36 H THR 7 H THR 7 11.985 -12.691 -7.630 37 HA THR 7 HA THR 7 13.212 -10.224 -8.286 38 HB THR 7 HB THR 7 11.026 -9.274 -8.132 39 HG1 THR 7 HG1 THR 7 9.361 -10.468 -7.062 40 HG21 THR 7 HG21 THR 7 9.636 -10.968 -9.324 41 HG22 THR 7 HG22 THR 7 10.837 -12.195 -8.920 42 HG23 THR 7 HG23 THR 7 11.272 -10.851 -9.975 43 H SER 8 H SER 8 12.358 -11.778 -5.285 44 HA SER 8 HA SER 8 12.218 -9.707 -3.486 45 HB2 SER 8 HB2 SER 8 12.083 -12.249 -3.086 46 HB3 SER 8 HB3 SER 8 13.831 -12.173 -2.878 47 HG SER 8 HG SER 8 13.176 -11.728 -0.892 48 H SER 9 H SER 9 15.113 -11.068 -4.968 49 HA SER 9 HA SER 9 17.101 -9.951 -3.406 50 HB2 SER 9 HB2 SER 9 17.750 -9.663 -6.217 51 HB3 SER 9 HB3 SER 9 18.443 -10.746 -5.013 52 HG SER 9 HG SER 9 16.207 -11.110 -6.689 53 H GLU 10 H GLU 10 14.998 -8.387 -5.724 54 HA GLU 10 HA GLU 10 16.420 -5.983 -6.081 55 HB2 GLU 10 HB2 GLU 10 13.482 -6.657 -6.221 56 HB3 GLU 10 HB3 GLU 10 14.093 -5.039 -6.563 57 HG2 GLU 10 HG2 GLU 10 15.729 -6.915 -7.971 58 HG3 GLU 10 HG3 GLU 10 14.043 -7.306 -8.301 59 H ILE 11 H ILE 11 14.539 -7.180 -3.424 60 HA ILE 11 HA ILE 11 13.882 -4.726 -2.183 61 HB ILE 11 HB ILE 11 14.409 -7.406 -0.882 62 HG12 ILE 11 HG12 ILE 11 11.826 -6.204 -1.930 63 HG13 ILE 11 HG13 ILE 11 12.739 -7.478 -2.739 64 HG21 ILE 11 HG21 ILE 11 14.008 -6.253 1.016 65 HG22 ILE 11 HG22 ILE 11 12.365 -5.999 0.427 66 HG23 ILE 11 HG23 ILE 11 13.612 -4.792 0.112 67 HD11 ILE 11 HD11 ILE 11 12.535 -8.817 -0.576 68 HD12 ILE 11 HD12 ILE 11 11.038 -8.593 -1.482 69 HD13 ILE 11 HD13 ILE 11 11.359 -7.613 -0.051 70 H THR 12 H THR 12 15.759 -3.418 -2.379 71 HA THR 12 HA THR 12 17.484 -3.513 -0.103 72 HB THR 12 HB THR 12 19.401 -3.513 -2.189 73 HG1 THR 12 HG1 THR 12 17.776 -4.658 -3.370 74 HG21 THR 12 HG21 THR 12 20.121 -5.634 -0.990 75 HG22 THR 12 HG22 THR 12 18.677 -5.461 0.009 76 HG23 THR 12 HG23 THR 12 19.925 -4.216 0.042 77 H THR 13 H THR 13 15.676 -1.661 -1.353 78 HA THR 13 HA THR 13 17.241 0.366 -2.686 79 HB THR 13 HB THR 13 15.184 1.708 -2.564 80 HG1 THR 13 HG1 THR 13 13.777 -0.381 -1.417 81 HG21 THR 13 HG21 THR 13 15.436 -0.012 -4.335 82 HG22 THR 13 HG22 THR 13 13.749 0.218 -3.875 83 HG23 THR 13 HG23 THR 13 14.640 -1.186 -3.287 84 H LYS 14 H LYS 14 15.594 0.156 0.472 85 HA LYS 14 HA LYS 14 16.766 2.582 1.449 86 HB2 LYS 14 HB2 LYS 14 15.400 0.306 2.908 87 HB3 LYS 14 HB3 LYS 14 15.840 1.850 3.636 88 HG2 LYS 14 HG2 LYS 14 14.413 3.033 2.013 89 HG3 LYS 14 HG3 LYS 14 13.977 1.494 1.270 90 HD2 LYS 14 HD2 LYS 14 12.190 1.773 2.725 91 HD3 LYS 14 HD3 LYS 14 13.297 0.860 3.751 92 HE2 LYS 14 HE2 LYS 14 12.884 2.591 5.200 93 HE3 LYS 14 HE3 LYS 14 14.179 3.353 4.277 94 HZ1 LYS 14 HZ1 LYS 14 12.173 4.013 2.744 95 HZ2 LYS 14 HZ2 LYS 14 12.580 4.940 4.108 96 HZ3 LYS 14 HZ3 LYS 14 11.293 3.834 4.183 97 H ASP 15 H ASP 15 17.598 -0.815 1.557 98 HA ASP 15 HA ASP 15 19.521 -0.763 3.612 99 HB2 ASP 15 HB2 ASP 15 19.180 -2.463 1.154 100 HB3 ASP 15 HB3 ASP 15 20.519 -2.707 2.272 101 H LEU 16 H LEU 16 19.634 0.127 0.234 102 HA LEU 16 HA LEU 16 22.375 0.266 -0.214 103 HB2 LEU 16 HB2 LEU 16 20.419 0.705 -1.841 104 HB3 LEU 16 HB3 LEU 16 20.444 2.355 -1.222 105 HG LEU 16 HG LEU 16 23.074 1.229 -2.028 106 HD11 LEU 16 HD11 LEU 16 20.974 2.056 -4.056 107 HD12 LEU 16 HD12 LEU 16 21.561 0.410 -3.817 108 HD13 LEU 16 HD13 LEU 16 22.657 1.659 -4.409 109 HD21 LEU 16 HD21 LEU 16 22.762 3.548 -1.199 110 HD22 LEU 16 HD22 LEU 16 21.656 3.866 -2.535 111 HD23 LEU 16 HD23 LEU 16 23.356 3.529 -2.858 112 H LYS 17 H LYS 17 20.264 2.305 1.644 113 HA LYS 17 HA LYS 17 21.990 4.567 1.868 114 HB2 LYS 17 HB2 LYS 17 19.834 3.645 3.781 115 HB3 LYS 17 HB3 LYS 17 20.527 5.265 3.680 116 HG2 LYS 17 HG2 LYS 17 19.754 4.773 1.072 117 HG3 LYS 17 HG3 LYS 17 18.467 4.014 2.010 118 HD2 LYS 17 HD2 LYS 17 19.461 6.844 2.449 119 HD3 LYS 17 HD3 LYS 17 18.021 6.426 1.521 120 HE2 LYS 17 HE2 LYS 17 16.851 6.430 3.444 121 HE3 LYS 17 HE3 LYS 17 17.792 5.033 3.967 122 HZ1 LYS 17 HZ1 LYS 17 18.406 7.898 4.427 123 HZ2 LYS 17 HZ2 LYS 17 19.516 6.647 4.725 124 HZ3 LYS 17 HZ3 LYS 17 18.057 6.716 5.592 125 H GLU 18 H GLU 18 21.611 1.595 3.710 126 HA GLU 18 HA GLU 18 23.264 2.362 5.895 127 HB2 GLU 18 HB2 GLU 18 21.789 0.512 6.224 128 HB3 GLU 18 HB3 GLU 18 22.427 -0.334 4.814 129 HG2 GLU 18 HG2 GLU 18 24.331 0.418 6.996 130 HG3 GLU 18 HG3 GLU 18 23.251 -0.948 7.266 131 H LYS 19 H LYS 19 23.877 0.907 2.758 132 HA LYS 19 HA LYS 19 26.620 0.253 3.293 133 HB2 LYS 19 HB2 LYS 19 25.494 -0.951 1.540 134 HB3 LYS 19 HB3 LYS 19 25.051 0.548 0.723 135 HG2 LYS 19 HG2 LYS 19 27.945 0.206 1.238 136 HG3 LYS 19 HG3 LYS 19 27.250 -0.928 0.079 137 HD2 LYS 19 HD2 LYS 19 26.596 1.997 -0.137 138 HD3 LYS 19 HD3 LYS 19 28.133 1.400 -0.764 139 HE2 LYS 19 HE2 LYS 19 25.500 0.102 -1.489 140 HE3 LYS 19 HE3 LYS 19 26.165 1.449 -2.414 141 HZ1 LYS 19 HZ1 LYS 19 26.780 -1.192 -2.738 142 HZ2 LYS 19 HZ2 LYS 19 28.117 -0.569 -1.894 143 HZ3 LYS 19 HZ3 LYS 19 27.645 0.121 -3.373 144 H LYS 20 H LYS 20 24.930 2.943 1.723 145 HA LYS 20 HA LYS 20 27.186 4.357 0.826 146 HB2 LYS 20 HB2 LYS 20 24.347 4.860 1.153 147 HB3 LYS 20 HB3 LYS 20 25.296 6.282 1.582 148 HG2 LYS 20 HG2 LYS 20 26.558 5.996 -0.584 149 HG3 LYS 20 HG3 LYS 20 25.404 4.734 -1.021 150 HD2 LYS 20 HD2 LYS 20 23.771 6.231 -1.501 151 HD3 LYS 20 HD3 LYS 20 24.134 7.215 -0.083 152 HE2 LYS 20 HE2 LYS 20 25.948 7.190 -2.496 153 HE3 LYS 20 HE3 LYS 20 24.569 8.283 -2.387 154 HZ1 LYS 20 HZ1 LYS 20 26.912 8.131 -0.579 155 HZ2 LYS 20 HZ2 LYS 20 25.499 8.986 -0.182 156 HZ3 LYS 20 HZ3 LYS 20 26.419 9.442 -1.535 157 H GLU 21 H GLU 21 25.644 4.138 3.972 158 HA GLU 21 HA GLU 21 26.763 6.345 5.257 159 HB2 GLU 21 HB2 GLU 21 26.076 3.592 6.299 160 HB3 GLU 21 HB3 GLU 21 26.576 4.923 7.342 161 HG2 GLU 21 HG2 GLU 21 24.415 5.503 5.382 162 HG3 GLU 21 HG3 GLU 21 23.994 4.459 6.739 163 H VAL 22 H VAL 22 28.097 3.068 4.853 164 HA VAL 22 HA VAL 22 30.451 3.434 6.339 165 HB VAL 22 HB VAL 22 31.093 1.380 5.537 166 HG11 VAL 22 HG11 VAL 22 29.160 0.028 5.292 167 HG12 VAL 22 HG12 VAL 22 28.261 1.316 4.491 168 HG13 VAL 22 HG13 VAL 22 28.608 1.424 6.216 169 HG21 VAL 22 HG21 VAL 22 30.362 0.670 3.134 170 HG22 VAL 22 HG22 VAL 22 31.672 1.839 3.299 171 HG23 VAL 22 HG23 VAL 22 30.046 2.388 2.895 172 H VAL 23 H VAL 23 29.667 4.287 3.022 173 HA VAL 23 HA VAL 23 32.245 4.742 2.036 174 HB VAL 23 HB VAL 23 29.793 4.859 0.958 175 HG11 VAL 23 HG11 VAL 23 28.990 7.007 0.583 176 HG12 VAL 23 HG12 VAL 23 30.563 7.755 0.850 177 HG13 VAL 23 HG13 VAL 23 29.619 7.176 2.221 178 HG21 VAL 23 HG21 VAL 23 32.480 5.833 0.145 179 HG22 VAL 23 HG22 VAL 23 31.129 6.340 -0.868 180 HG23 VAL 23 HG23 VAL 23 31.444 4.624 -0.612 181 H GLU 24 H GLU 24 30.403 6.557 4.326 182 HA GLU 24 HA GLU 24 31.337 9.136 4.036 183 HB2 GLU 24 HB2 GLU 24 30.840 7.529 6.542 184 HB3 GLU 24 HB3 GLU 24 31.191 9.256 6.558 185 HG2 GLU 24 HG2 GLU 24 29.035 8.251 4.741 186 HG3 GLU 24 HG3 GLU 24 28.687 8.393 6.463 187 H GLU 25 H GLU 25 32.987 6.338 5.402 188 HA GLU 25 HA GLU 25 35.215 7.603 6.521 189 HB2 GLU 25 HB2 GLU 25 34.445 5.043 6.377 190 HB3 GLU 25 HB3 GLU 25 35.642 5.033 5.081 191 HG2 GLU 25 HG2 GLU 25 37.110 6.324 6.865 192 HG3 GLU 25 HG3 GLU 25 36.023 5.537 8.008 193 H ALA 26 H ALA 26 34.221 7.400 3.285 194 HA ALA 26 HA ALA 26 36.742 7.426 1.968 195 HB1 ALA 26 HB1 ALA 26 34.254 8.750 0.903 196 HB2 ALA 26 HB2 ALA 26 34.412 6.995 0.959 197 HB3 ALA 26 HB3 ALA 26 35.545 7.952 0.005 198 H GLU 27 H GLU 27 35.014 9.780 3.764 199 HA GLU 27 HA GLU 27 35.967 12.153 2.549 200 HB2 GLU 27 HB2 GLU 27 34.709 11.407 5.126 201 HB3 GLU 27 HB3 GLU 27 35.656 12.896 5.130 202 HG2 GLU 27 HG2 GLU 27 33.154 13.067 4.487 203 HG3 GLU 27 HG3 GLU 27 34.322 13.890 3.458 204 H ASN 28 H ASN 28 37.683 9.710 3.956 205 HA ASN 28 HA ASN 28 40.022 11.431 4.299 206 HB2 ASN 28 HB2 ASN 28 38.776 11.086 6.546 207 HB3 ASN 28 HB3 ASN 28 39.392 9.437 6.459 208 HD21 ASN 28 HD21 ASN 28 40.412 10.732 8.573 209 HD22 ASN 28 HD22 ASN 28 41.987 11.298 8.288 Start of MODEL 18 1 H1 ACE 0 H1 ACE 0 32.343 -14.362 -3.052 2 H2 ACE 0 H2 ACE 0 30.917 -13.808 -3.929 3 H3 ACE 0 H3 ACE 0 30.736 -14.863 -2.529 4 H SER 1 H SER 1 31.079 -11.625 -3.633 5 HA SER 1 HA SER 1 30.401 -10.581 -1.022 6 HB2 SER 1 HB2 SER 1 32.372 -8.955 -1.097 7 HB3 SER 1 HB3 SER 1 32.743 -10.611 -0.633 8 HG SER 1 HG SER 1 33.863 -10.839 -2.403 9 H ASP 2 H ASP 2 32.184 -8.771 -3.431 10 HA ASP 2 HA ASP 2 30.398 -6.696 -3.710 11 HB2 ASP 2 HB2 ASP 2 32.092 -7.795 -5.962 12 HB3 ASP 2 HB3 ASP 2 31.518 -6.138 -5.770 13 H ALA 3 H ALA 3 30.365 -9.848 -5.237 14 HA ALA 3 HA ALA 3 28.539 -9.437 -7.299 15 HB1 ALA 3 HB1 ALA 3 28.653 -11.882 -5.522 16 HB2 ALA 3 HB2 ALA 3 29.808 -11.557 -6.815 17 HB3 ALA 3 HB3 ALA 3 28.104 -11.803 -7.197 18 H ALA 4 H ALA 4 28.074 -9.559 -3.859 19 HA ALA 4 HA ALA 4 25.407 -10.198 -3.574 20 HB1 ALA 4 HB1 ALA 4 25.469 -9.069 -1.507 21 HB2 ALA 4 HB2 ALA 4 26.633 -7.881 -2.091 22 HB3 ALA 4 HB3 ALA 4 27.146 -9.541 -1.785 23 H VAL 5 H VAL 5 26.817 -7.363 -4.991 24 HA VAL 5 HA VAL 5 24.670 -5.574 -4.844 25 HB VAL 5 HB VAL 5 26.981 -5.915 -6.728 26 HG11 VAL 5 HG11 VAL 5 24.600 -4.078 -7.029 27 HG12 VAL 5 HG12 VAL 5 25.313 -5.142 -8.240 28 HG13 VAL 5 HG13 VAL 5 26.172 -3.691 -7.727 29 HG21 VAL 5 HG21 VAL 5 26.319 -3.380 -5.323 30 HG22 VAL 5 HG22 VAL 5 27.881 -4.168 -5.547 31 HG23 VAL 5 HG23 VAL 5 26.775 -4.742 -4.300 32 H ASP 6 H ASP 6 25.409 -8.193 -7.093 33 HA ASP 6 HA ASP 6 23.387 -7.662 -8.985 34 HB2 ASP 6 HB2 ASP 6 25.310 -9.666 -8.568 35 HB3 ASP 6 HB3 ASP 6 23.759 -10.504 -8.536 36 H THR 7 H THR 7 23.442 -9.390 -5.931 37 HA THR 7 HA THR 7 20.822 -10.443 -5.989 38 HB THR 7 HB THR 7 21.789 -9.625 -3.345 39 HG1 THR 7 HG1 THR 7 23.795 -9.847 -4.213 40 HG21 THR 7 HG21 THR 7 21.515 -12.423 -4.406 41 HG22 THR 7 HG22 THR 7 20.078 -11.445 -4.110 42 HG23 THR 7 HG23 THR 7 21.181 -11.816 -2.786 43 H SER 8 H SER 8 22.153 -7.328 -4.979 44 HA SER 8 HA SER 8 19.932 -6.268 -3.660 45 HB2 SER 8 HB2 SER 8 22.089 -5.129 -3.689 46 HB3 SER 8 HB3 SER 8 21.934 -4.834 -5.418 47 HG SER 8 HG SER 8 20.514 -3.302 -5.037 48 H SER 9 H SER 9 20.386 -6.900 -7.030 49 HA SER 9 HA SER 9 18.713 -5.089 -8.271 50 HB2 SER 9 HB2 SER 9 18.690 -8.020 -8.967 51 HB3 SER 9 HB3 SER 9 18.503 -6.640 -10.044 52 HG SER 9 HG SER 9 20.741 -6.133 -9.061 53 H GLU 10 H GLU 10 17.877 -7.656 -6.092 54 HA GLU 10 HA GLU 10 15.138 -7.919 -6.829 55 HB2 GLU 10 HB2 GLU 10 16.449 -8.491 -4.163 56 HB3 GLU 10 HB3 GLU 10 14.882 -9.091 -4.704 57 HG2 GLU 10 HG2 GLU 10 15.905 -10.367 -6.481 58 HG3 GLU 10 HG3 GLU 10 17.479 -9.640 -6.161 59 H ILE 11 H ILE 11 16.838 -5.972 -4.417 60 HA ILE 11 HA ILE 11 14.976 -3.855 -4.500 61 HB ILE 11 HB ILE 11 13.452 -5.387 -3.391 62 HG12 ILE 11 HG12 ILE 11 13.953 -3.982 -0.954 63 HG13 ILE 11 HG13 ILE 11 14.388 -2.910 -2.287 64 HG21 ILE 11 HG21 ILE 11 14.669 -5.764 -0.859 65 HG22 ILE 11 HG22 ILE 11 15.871 -6.220 -2.066 66 HG23 ILE 11 HG23 ILE 11 14.287 -6.996 -2.061 67 HD11 ILE 11 HD11 ILE 11 12.189 -3.352 -3.342 68 HD12 ILE 11 HD12 ILE 11 12.011 -2.646 -1.737 69 HD13 ILE 11 HD13 ILE 11 11.750 -4.374 -1.973 70 H THR 12 H THR 12 15.735 -4.483 -1.272 71 HA THR 12 HA THR 12 17.203 -3.493 0.192 72 HB THR 12 HB THR 12 19.618 -3.419 -0.643 73 HG1 THR 12 HG1 THR 12 19.312 -5.066 -2.651 74 HG21 THR 12 HG21 THR 12 17.863 -5.657 -0.081 75 HG22 THR 12 HG22 THR 12 19.538 -5.404 0.410 76 HG23 THR 12 HG23 THR 12 19.178 -6.144 -1.151 77 H THR 13 H THR 13 15.591 -1.704 -1.193 78 HA THR 13 HA THR 13 17.053 0.413 -2.412 79 HB THR 13 HB THR 13 14.817 1.644 -1.488 80 HG1 THR 13 HG1 THR 13 14.349 -0.462 -0.447 81 HG21 THR 13 HG21 THR 13 13.871 1.179 -3.653 82 HG22 THR 13 HG22 THR 13 14.828 -0.293 -3.813 83 HG23 THR 13 HG23 THR 13 15.620 1.281 -3.854 84 H LYS 14 H LYS 14 15.543 0.157 0.816 85 HA LYS 14 HA LYS 14 16.810 2.532 1.789 86 HB2 LYS 14 HB2 LYS 14 15.327 0.267 3.131 87 HB3 LYS 14 HB3 LYS 14 16.032 1.601 4.044 88 HG2 LYS 14 HG2 LYS 14 14.539 3.151 3.203 89 HG3 LYS 14 HG3 LYS 14 14.321 2.277 1.687 90 HD2 LYS 14 HD2 LYS 14 12.670 0.940 2.538 91 HD3 LYS 14 HD3 LYS 14 13.412 0.869 4.137 92 HE2 LYS 14 HE2 LYS 14 12.352 3.512 3.259 93 HE3 LYS 14 HE3 LYS 14 11.167 2.270 3.664 94 HZ1 LYS 14 HZ1 LYS 14 13.425 2.697 5.482 95 HZ2 LYS 14 HZ2 LYS 14 11.840 2.193 5.826 96 HZ3 LYS 14 HZ3 LYS 14 12.162 3.828 5.495 97 H ASP 15 H ASP 15 17.586 -0.876 1.764 98 HA ASP 15 HA ASP 15 19.609 -0.903 3.732 99 HB2 ASP 15 HB2 ASP 15 18.610 -2.656 1.664 100 HB3 ASP 15 HB3 ASP 15 20.370 -2.704 1.717 101 H LEU 16 H LEU 16 19.568 -0.004 0.349 102 HA LEU 16 HA LEU 16 22.290 0.106 -0.219 103 HB2 LEU 16 HB2 LEU 16 19.897 0.964 -1.442 104 HB3 LEU 16 HB3 LEU 16 20.921 2.396 -1.334 105 HG LEU 16 HG LEU 16 21.447 1.288 -3.413 106 HD11 LEU 16 HD11 LEU 16 23.314 1.892 -1.498 107 HD12 LEU 16 HD12 LEU 16 23.703 1.438 -3.157 108 HD13 LEU 16 HD13 LEU 16 23.732 0.222 -1.879 109 HD21 LEU 16 HD21 LEU 16 20.574 -0.982 -2.337 110 HD22 LEU 16 HD22 LEU 16 22.291 -1.219 -2.005 111 HD23 LEU 16 HD23 LEU 16 21.736 -1.002 -3.664 112 H LYS 17 H LYS 17 20.268 2.162 1.716 113 HA LYS 17 HA LYS 17 21.979 4.424 1.866 114 HB2 LYS 17 HB2 LYS 17 19.475 4.031 2.669 115 HB3 LYS 17 HB3 LYS 17 20.280 3.681 4.199 116 HG2 LYS 17 HG2 LYS 17 21.471 5.849 4.056 117 HG3 LYS 17 HG3 LYS 17 20.621 6.204 2.553 118 HD2 LYS 17 HD2 LYS 17 19.382 7.312 4.267 119 HD3 LYS 17 HD3 LYS 17 18.451 5.869 3.862 120 HE2 LYS 17 HE2 LYS 17 20.505 5.636 6.019 121 HE3 LYS 17 HE3 LYS 17 19.009 6.490 6.396 122 HZ1 LYS 17 HZ1 LYS 17 18.457 4.118 4.957 123 HZ2 LYS 17 HZ2 LYS 17 17.927 4.580 6.504 124 HZ3 LYS 17 HZ3 LYS 17 19.401 3.757 6.319 125 H GLU 18 H GLU 18 21.621 1.556 3.907 126 HA GLU 18 HA GLU 18 23.449 2.223 5.909 127 HB2 GLU 18 HB2 GLU 18 22.779 -0.489 4.744 128 HB3 GLU 18 HB3 GLU 18 23.685 -0.238 6.238 129 HG2 GLU 18 HG2 GLU 18 21.002 1.069 5.865 130 HG3 GLU 18 HG3 GLU 18 21.100 -0.616 6.375 131 H LYS 19 H LYS 19 23.967 0.604 2.804 132 HA LYS 19 HA LYS 19 26.788 0.276 3.167 133 HB2 LYS 19 HB2 LYS 19 25.405 0.380 0.492 134 HB3 LYS 19 HB3 LYS 19 26.816 -0.565 0.968 135 HG2 LYS 19 HG2 LYS 19 25.389 -1.894 2.503 136 HG3 LYS 19 HG3 LYS 19 23.982 -0.976 1.964 137 HD2 LYS 19 HD2 LYS 19 24.212 -1.804 -0.288 138 HD3 LYS 19 HD3 LYS 19 25.769 -2.543 0.086 139 HE2 LYS 19 HE2 LYS 19 24.770 -4.406 0.863 140 HE3 LYS 19 HE3 LYS 19 23.741 -3.461 1.941 141 HZ1 LYS 19 HZ1 LYS 19 23.250 -4.189 -0.884 142 HZ2 LYS 19 HZ2 LYS 19 22.392 -2.940 -0.116 143 HZ3 LYS 19 HZ3 LYS 19 22.290 -4.531 0.471 144 H LYS 20 H LYS 20 24.711 2.797 1.965 145 HA LYS 20 HA LYS 20 26.722 4.278 0.576 146 HB2 LYS 20 HB2 LYS 20 24.192 4.475 0.296 147 HB3 LYS 20 HB3 LYS 20 24.203 5.417 1.787 148 HG2 LYS 20 HG2 LYS 20 26.291 6.427 0.128 149 HG3 LYS 20 HG3 LYS 20 24.842 6.289 -0.869 150 HD2 LYS 20 HD2 LYS 20 24.941 7.646 1.841 151 HD3 LYS 20 HD3 LYS 20 24.993 8.491 0.293 152 HE2 LYS 20 HE2 LYS 20 22.784 6.562 0.513 153 HE3 LYS 20 HE3 LYS 20 22.689 7.885 1.674 154 HZ1 LYS 20 HZ1 LYS 20 22.880 8.079 -1.277 155 HZ2 LYS 20 HZ2 LYS 20 23.098 9.411 -0.245 156 HZ3 LYS 20 HZ3 LYS 20 21.607 8.597 -0.285 157 H GLU 21 H GLU 21 25.638 4.097 3.897 158 HA GLU 21 HA GLU 21 26.753 6.526 4.824 159 HB2 GLU 21 HB2 GLU 21 25.644 4.080 6.005 160 HB3 GLU 21 HB3 GLU 21 26.907 4.828 6.981 161 HG2 GLU 21 HG2 GLU 21 24.491 6.281 5.864 162 HG3 GLU 21 HG3 GLU 21 24.653 5.723 7.528 163 H VAL 22 H VAL 22 28.110 3.323 4.287 164 HA VAL 22 HA VAL 22 30.508 3.616 5.718 165 HB VAL 22 HB VAL 22 31.315 1.756 4.506 166 HG11 VAL 22 HG11 VAL 22 28.283 1.649 4.508 167 HG12 VAL 22 HG12 VAL 22 29.342 1.216 5.850 168 HG13 VAL 22 HG13 VAL 22 29.342 0.246 4.378 169 HG21 VAL 22 HG21 VAL 22 29.675 1.259 2.349 170 HG22 VAL 22 HG22 VAL 22 31.263 2.017 2.250 171 HG23 VAL 22 HG23 VAL 22 29.813 3.017 2.311 172 H VAL 23 H VAL 23 29.484 4.934 2.656 173 HA VAL 23 HA VAL 23 31.923 5.495 1.438 174 HB VAL 23 HB VAL 23 29.427 7.212 1.495 175 HG11 VAL 23 HG11 VAL 23 30.714 8.690 0.371 176 HG12 VAL 23 HG12 VAL 23 30.758 7.511 -0.939 177 HG13 VAL 23 HG13 VAL 23 32.051 7.545 0.260 178 HG21 VAL 23 HG21 VAL 23 28.523 5.629 0.168 179 HG22 VAL 23 HG22 VAL 23 29.965 4.637 0.377 180 HG23 VAL 23 HG23 VAL 23 29.872 5.788 -0.955 181 H GLU 24 H GLU 24 30.646 6.694 4.377 182 HA GLU 24 HA GLU 24 31.721 9.240 4.603 183 HB2 GLU 24 HB2 GLU 24 31.277 7.014 6.565 184 HB3 GLU 24 HB3 GLU 24 32.132 8.468 7.080 185 HG2 GLU 24 HG2 GLU 24 29.740 9.106 5.538 186 HG3 GLU 24 HG3 GLU 24 29.364 8.143 6.965 187 H GLU 25 H GLU 25 33.273 6.094 4.858 188 HA GLU 25 HA GLU 25 35.764 6.783 5.857 189 HB2 GLU 25 HB2 GLU 25 34.640 4.596 4.290 190 HB3 GLU 25 HB3 GLU 25 36.318 4.926 3.857 191 HG2 GLU 25 HG2 GLU 25 35.284 4.475 6.671 192 HG3 GLU 25 HG3 GLU 25 36.185 3.303 5.712 193 H ALA 26 H ALA 26 34.265 7.692 2.927 194 HA ALA 26 HA ALA 26 36.563 8.148 1.313 195 HB1 ALA 26 HB1 ALA 26 33.862 9.518 1.251 196 HB2 ALA 26 HB2 ALA 26 34.282 8.041 0.385 197 HB3 ALA 26 HB3 ALA 26 35.069 9.562 -0.033 198 H GLU 27 H GLU 27 35.035 9.918 3.894 199 HA GLU 27 HA GLU 27 36.359 12.422 3.330 200 HB2 GLU 27 HB2 GLU 27 34.771 11.395 5.686 201 HB3 GLU 27 HB3 GLU 27 35.510 12.997 5.656 202 HG2 GLU 27 HG2 GLU 27 34.161 12.693 3.184 203 HG3 GLU 27 HG3 GLU 27 33.051 12.126 4.430 204 H ASN 28 H ASN 28 37.488 9.524 4.405 205 HA ASN 28 HA ASN 28 38.956 9.647 6.613 206 HB2 ASN 28 HB2 ASN 28 40.855 8.561 5.395 207 HB3 ASN 28 HB3 ASN 28 39.285 7.839 5.045 208 HD21 ASN 28 HD21 ASN 28 38.820 7.597 2.856 209 HD22 ASN 28 HD22 ASN 28 39.562 8.473 1.605 Start of MODEL 19 1 H1 ACE 0 H1 ACE 0 19.933 -20.772 8.817 2 H2 ACE 0 H2 ACE 0 20.067 -19.705 10.216 3 H3 ACE 0 H3 ACE 0 21.508 -20.482 9.557 4 H SER 1 H SER 1 19.903 -17.622 9.704 5 HA SER 1 HA SER 1 20.229 -15.610 8.645 6 HB2 SER 1 HB2 SER 1 22.601 -16.521 8.387 7 HB3 SER 1 HB3 SER 1 22.126 -17.009 6.763 8 HG SER 1 HG SER 1 21.385 -14.713 6.602 9 H ASP 2 H ASP 2 19.865 -18.448 6.597 10 HA ASP 2 HA ASP 2 19.001 -17.322 4.228 11 HB2 ASP 2 HB2 ASP 2 19.237 -19.649 4.200 12 HB3 ASP 2 HB3 ASP 2 18.260 -19.863 5.651 13 H ALA 3 H ALA 3 17.215 -17.792 7.228 14 HA ALA 3 HA ALA 3 14.630 -17.204 6.307 15 HB1 ALA 3 HB1 ALA 3 16.001 -16.980 8.967 16 HB2 ALA 3 HB2 ALA 3 14.709 -18.073 8.469 17 HB3 ALA 3 HB3 ALA 3 14.359 -16.370 8.764 18 H ALA 4 H ALA 4 17.370 -15.170 6.706 19 HA ALA 4 HA ALA 4 16.316 -12.698 7.329 20 HB1 ALA 4 HB1 ALA 4 18.752 -13.317 6.879 21 HB2 ALA 4 HB2 ALA 4 18.225 -11.735 6.309 22 HB3 ALA 4 HB3 ALA 4 18.388 -13.071 5.171 23 H VAL 5 H VAL 5 15.776 -14.575 4.498 24 HA VAL 5 HA VAL 5 15.157 -12.609 2.611 25 HB VAL 5 HB VAL 5 15.375 -15.090 2.193 26 HG11 VAL 5 HG11 VAL 5 13.835 -15.675 4.130 27 HG12 VAL 5 HG12 VAL 5 13.495 -16.520 2.620 28 HG13 VAL 5 HG13 VAL 5 12.490 -15.157 3.113 29 HG21 VAL 5 HG21 VAL 5 14.108 -13.216 0.758 30 HG22 VAL 5 HG22 VAL 5 12.719 -14.242 1.114 31 HG23 VAL 5 HG23 VAL 5 14.114 -14.909 0.265 32 H ASP 6 H ASP 6 13.223 -14.075 5.180 33 HA ASP 6 HA ASP 6 10.731 -12.959 4.475 34 HB2 ASP 6 HB2 ASP 6 11.457 -14.678 6.380 35 HB3 ASP 6 HB3 ASP 6 11.480 -13.211 7.356 36 H THR 7 H THR 7 13.463 -11.767 6.331 37 HA THR 7 HA THR 7 12.328 -9.355 7.257 38 HB THR 7 HB THR 7 15.105 -8.978 6.697 39 HG1 THR 7 HG1 THR 7 14.741 -11.339 8.136 40 HG21 THR 7 HG21 THR 7 13.524 -9.642 9.191 41 HG22 THR 7 HG22 THR 7 14.010 -8.042 8.631 42 HG23 THR 7 HG23 THR 7 15.226 -9.182 9.208 43 H SER 8 H SER 8 13.898 -10.287 4.238 44 HA SER 8 HA SER 8 14.442 -7.909 3.016 45 HB2 SER 8 HB2 SER 8 12.921 -10.145 1.660 46 HB3 SER 8 HB3 SER 8 13.967 -8.955 0.892 47 HG SER 8 HG SER 8 15.641 -10.088 1.473 48 H SER 9 H SER 9 11.342 -9.081 3.985 49 HA SER 9 HA SER 9 9.614 -7.647 2.334 50 HB2 SER 9 HB2 SER 9 8.061 -7.685 4.328 51 HB3 SER 9 HB3 SER 9 8.710 -9.254 3.861 52 HG SER 9 HG SER 9 8.825 -8.240 6.207 53 H GLU 10 H GLU 10 11.511 -6.605 5.103 54 HA GLU 10 HA GLU 10 10.304 -4.113 5.576 55 HB2 GLU 10 HB2 GLU 10 12.030 -5.257 7.020 56 HB3 GLU 10 HB3 GLU 10 13.250 -4.740 5.855 57 HG2 GLU 10 HG2 GLU 10 13.069 -2.519 6.438 58 HG3 GLU 10 HG3 GLU 10 11.369 -2.663 6.882 59 H ILE 11 H ILE 11 12.133 -5.237 2.936 60 HA ILE 11 HA ILE 11 12.357 -4.128 0.881 61 HB ILE 11 HB ILE 11 10.960 -2.191 2.084 62 HG12 ILE 11 HG12 ILE 11 11.607 -0.765 0.024 63 HG13 ILE 11 HG13 ILE 11 12.690 -2.095 -0.388 64 HG21 ILE 11 HG21 ILE 11 13.335 -1.511 3.126 65 HG22 ILE 11 HG22 ILE 11 12.161 -0.288 2.644 66 HG23 ILE 11 HG23 ILE 11 13.502 -0.693 1.573 67 HD11 ILE 11 HD11 ILE 11 9.814 -2.669 0.276 68 HD12 ILE 11 HD12 ILE 11 10.931 -3.600 -0.722 69 HD13 ILE 11 HD13 ILE 11 10.245 -2.095 -1.336 70 H THR 12 H THR 12 14.223 -3.459 -0.194 71 HA THR 12 HA THR 12 16.611 -3.358 1.534 72 HB THR 12 HB THR 12 16.960 -5.169 0.137 73 HG1 THR 12 HG1 THR 12 17.827 -2.916 -1.350 74 HG21 THR 12 HG21 THR 12 16.281 -5.097 -2.310 75 HG22 THR 12 HG22 THR 12 15.452 -3.583 -1.951 76 HG23 THR 12 HG23 THR 12 14.946 -5.075 -1.159 77 H THR 13 H THR 13 14.641 -1.221 0.223 78 HA THR 13 HA THR 13 16.324 0.400 -1.402 79 HB THR 13 HB THR 13 13.964 1.327 0.243 80 HG1 THR 13 HG1 THR 13 14.012 0.249 -2.378 81 HG21 THR 13 HG21 THR 13 14.859 3.248 -0.673 82 HG22 THR 13 HG22 THR 13 13.841 2.730 -2.016 83 HG23 THR 13 HG23 THR 13 15.571 2.389 -2.039 84 H LYS 14 H LYS 14 15.234 0.817 1.977 85 HA LYS 14 HA LYS 14 17.027 2.956 2.511 86 HB2 LYS 14 HB2 LYS 14 15.152 1.280 4.062 87 HB3 LYS 14 HB3 LYS 14 16.514 1.923 4.979 88 HG2 LYS 14 HG2 LYS 14 14.926 3.713 3.149 89 HG3 LYS 14 HG3 LYS 14 14.362 3.378 4.786 90 HD2 LYS 14 HD2 LYS 14 16.433 4.231 5.729 91 HD3 LYS 14 HD3 LYS 14 17.120 4.444 4.120 92 HE2 LYS 14 HE2 LYS 14 16.114 6.443 3.876 93 HE3 LYS 14 HE3 LYS 14 14.547 5.769 4.322 94 HZ1 LYS 14 HZ1 LYS 14 14.719 6.702 6.307 95 HZ2 LYS 14 HZ2 LYS 14 16.184 7.426 5.840 96 HZ3 LYS 14 HZ3 LYS 14 16.189 5.908 6.603 97 H ASP 15 H ASP 15 17.231 -0.536 2.810 98 HA ASP 15 HA ASP 15 19.562 -0.699 4.389 99 HB2 ASP 15 HB2 ASP 15 17.859 -2.493 3.117 100 HB3 ASP 15 HB3 ASP 15 19.416 -2.746 2.333 101 H LEU 16 H LEU 16 19.021 -0.163 0.967 102 HA LEU 16 HA LEU 16 21.588 -0.569 -0.046 103 HB2 LEU 16 HB2 LEU 16 19.159 0.600 -0.948 104 HB3 LEU 16 HB3 LEU 16 20.432 1.786 -1.229 105 HG LEU 16 HG LEU 16 20.676 -1.122 -2.040 106 HD11 LEU 16 HD11 LEU 16 18.776 0.063 -3.196 107 HD12 LEU 16 HD12 LEU 16 20.065 -0.449 -4.285 108 HD13 LEU 16 HD13 LEU 16 19.944 1.240 -3.795 109 HD21 LEU 16 HD21 LEU 16 22.353 1.314 -2.201 110 HD22 LEU 16 HD22 LEU 16 22.268 0.367 -3.687 111 HD23 LEU 16 HD23 LEU 16 22.833 -0.384 -2.195 112 H LYS 17 H LYS 17 20.219 1.936 1.906 113 HA LYS 17 HA LYS 17 22.058 4.011 1.576 114 HB2 LYS 17 HB2 LYS 17 19.913 4.062 2.925 115 HB3 LYS 17 HB3 LYS 17 20.799 3.240 4.211 116 HG2 LYS 17 HG2 LYS 17 22.526 5.269 3.568 117 HG3 LYS 17 HG3 LYS 17 20.961 6.043 3.314 118 HD2 LYS 17 HD2 LYS 17 20.248 5.371 5.574 119 HD3 LYS 17 HD3 LYS 17 21.803 4.577 5.832 120 HE2 LYS 17 HE2 LYS 17 22.676 6.532 6.517 121 HE3 LYS 17 HE3 LYS 17 22.339 7.227 4.932 122 HZ1 LYS 17 HZ1 LYS 17 21.114 7.834 7.350 123 HZ2 LYS 17 HZ2 LYS 17 19.947 7.043 6.403 124 HZ3 LYS 17 HZ3 LYS 17 20.727 8.433 5.812 125 H GLU 18 H GLU 18 22.292 1.010 3.375 126 HA GLU 18 HA GLU 18 24.464 1.565 5.032 127 HB2 GLU 18 HB2 GLU 18 23.502 -0.943 3.680 128 HB3 GLU 18 HB3 GLU 18 24.994 -0.951 4.622 129 HG2 GLU 18 HG2 GLU 18 23.866 -0.911 6.573 130 HG3 GLU 18 HG3 GLU 18 22.847 0.422 6.030 131 H LYS 19 H LYS 19 24.346 0.691 1.621 132 HA LYS 19 HA LYS 19 27.153 0.404 1.257 133 HB2 LYS 19 HB2 LYS 19 25.454 -0.476 -0.335 134 HB3 LYS 19 HB3 LYS 19 25.054 1.183 -0.785 135 HG2 LYS 19 HG2 LYS 19 27.677 1.351 -1.171 136 HG3 LYS 19 HG3 LYS 19 27.528 -0.396 -1.373 137 HD2 LYS 19 HD2 LYS 19 25.600 0.113 -2.988 138 HD3 LYS 19 HD3 LYS 19 26.167 1.783 -2.962 139 HE2 LYS 19 HE2 LYS 19 28.479 0.232 -3.345 140 HE3 LYS 19 HE3 LYS 19 27.259 -0.491 -4.392 141 HZ1 LYS 19 HZ1 LYS 19 27.944 2.397 -4.300 142 HZ2 LYS 19 HZ2 LYS 19 26.811 1.670 -5.336 143 HZ3 LYS 19 HZ3 LYS 19 28.462 1.306 -5.491 144 H LYS 20 H LYS 20 24.926 3.115 1.193 145 HA LYS 20 HA LYS 20 26.760 5.010 0.077 146 HB2 LYS 20 HB2 LYS 20 24.054 5.036 1.232 147 HB3 LYS 20 HB3 LYS 20 24.985 6.496 1.564 148 HG2 LYS 20 HG2 LYS 20 23.871 6.883 -0.517 149 HG3 LYS 20 HG3 LYS 20 25.553 6.546 -0.924 150 HD2 LYS 20 HD2 LYS 20 24.893 4.824 -2.210 151 HD3 LYS 20 HD3 LYS 20 24.176 4.049 -0.799 152 HE2 LYS 20 HE2 LYS 20 22.407 4.322 -2.398 153 HE3 LYS 20 HE3 LYS 20 22.149 5.538 -1.147 154 HZ1 LYS 20 HZ1 LYS 20 22.549 7.197 -2.567 155 HZ2 LYS 20 HZ2 LYS 20 22.265 6.049 -3.786 156 HZ3 LYS 20 HZ3 LYS 20 23.855 6.404 -3.303 157 H GLU 21 H GLU 21 25.893 3.932 3.306 158 HA GLU 21 HA GLU 21 27.160 5.867 4.860 159 HB2 GLU 21 HB2 GLU 21 26.702 2.915 5.286 160 HB3 GLU 21 HB3 GLU 21 27.457 3.933 6.513 161 HG2 GLU 21 HG2 GLU 21 25.476 5.441 6.434 162 HG3 GLU 21 HG3 GLU 21 24.713 4.337 5.290 163 H VAL 22 H VAL 22 28.465 3.105 3.117 164 HA VAL 22 HA VAL 22 31.015 2.992 4.259 165 HB VAL 22 HB VAL 22 29.669 1.832 2.034 166 HG11 VAL 22 HG11 VAL 22 31.462 1.763 0.359 167 HG12 VAL 22 HG12 VAL 22 32.441 2.855 1.340 168 HG13 VAL 22 HG13 VAL 22 30.937 3.427 0.617 169 HG21 VAL 22 HG21 VAL 22 32.442 1.202 3.067 170 HG22 VAL 22 HG22 VAL 22 31.279 0.086 2.354 171 HG23 VAL 22 HG23 VAL 22 30.974 0.778 3.948 172 H VAL 23 H VAL 23 29.676 5.136 1.813 173 HA VAL 23 HA VAL 23 32.059 6.283 0.871 174 HB VAL 23 HB VAL 23 29.391 7.666 1.220 175 HG11 VAL 23 HG11 VAL 23 30.697 9.378 0.456 176 HG12 VAL 23 HG12 VAL 23 30.481 8.576 -1.098 177 HG13 VAL 23 HG13 VAL 23 31.943 8.290 -0.155 178 HG21 VAL 23 HG21 VAL 23 30.345 6.217 -1.251 179 HG22 VAL 23 HG22 VAL 23 28.709 6.729 -0.840 180 HG23 VAL 23 HG23 VAL 23 29.447 5.372 0.009 181 H GLU 24 H GLU 24 30.464 6.582 3.910 182 HA GLU 24 HA GLU 24 31.226 9.128 4.753 183 HB2 GLU 24 HB2 GLU 24 30.933 6.540 6.279 184 HB3 GLU 24 HB3 GLU 24 31.250 8.087 7.064 185 HG2 GLU 24 HG2 GLU 24 29.190 9.004 6.363 186 HG3 GLU 24 HG3 GLU 24 28.962 7.767 5.126 187 H GLU 25 H GLU 25 33.047 6.117 4.651 188 HA GLU 25 HA GLU 25 35.301 6.907 6.121 189 HB2 GLU 25 HB2 GLU 25 35.194 5.051 3.727 190 HB3 GLU 25 HB3 GLU 25 36.484 5.124 4.930 191 HG2 GLU 25 HG2 GLU 25 33.588 4.497 5.569 192 HG3 GLU 25 HG3 GLU 25 34.846 3.280 5.360 193 H ALA 26 H ALA 26 34.097 8.010 3.157 194 HA ALA 26 HA ALA 26 36.405 8.657 1.711 195 HB1 ALA 26 HB1 ALA 26 35.019 10.390 0.635 196 HB2 ALA 26 HB2 ALA 26 33.798 10.187 1.891 197 HB3 ALA 26 HB3 ALA 26 34.146 8.864 0.778 198 H GLU 27 H GLU 27 34.951 10.163 4.509 199 HA GLU 27 HA GLU 27 36.402 12.625 4.350 200 HB2 GLU 27 HB2 GLU 27 34.380 11.493 6.009 201 HB3 GLU 27 HB3 GLU 27 35.707 12.003 7.054 202 HG2 GLU 27 HG2 GLU 27 34.109 13.846 6.702 203 HG3 GLU 27 HG3 GLU 27 35.681 14.234 6.005 204 H ASN 28 H ASN 28 37.010 9.463 5.714 205 HA ASN 28 HA ASN 28 38.813 8.570 6.828 206 HB2 ASN 28 HB2 ASN 28 39.767 9.251 4.561 207 HB3 ASN 28 HB3 ASN 28 40.434 10.663 5.379 208 HD21 ASN 28 HD21 ASN 28 42.660 9.928 5.129 209 HD22 ASN 28 HD22 ASN 28 43.258 8.601 6.002 Start of MODEL 20 1 H1 ACE 0 H1 ACE 0 -3.473 1.460 11.191 2 H2 ACE 0 H2 ACE 0 -2.427 0.879 9.897 3 H3 ACE 0 H3 ACE 0 -2.571 2.609 10.203 4 H SER 1 H SER 1 -1.231 -0.423 11.360 5 HA SER 1 HA SER 1 0.958 0.970 12.632 6 HB2 SER 1 HB2 SER 1 -0.443 1.143 14.518 7 HB3 SER 1 HB3 SER 1 -1.148 -0.449 14.250 8 HG SER 1 HG SER 1 1.603 -0.358 14.581 9 H ASP 2 H ASP 2 -0.177 -2.140 13.747 10 HA ASP 2 HA ASP 2 2.183 -3.510 13.307 11 HB2 ASP 2 HB2 ASP 2 0.121 -5.398 12.948 12 HB3 ASP 2 HB3 ASP 2 0.981 -5.018 14.438 13 H ALA 3 H ALA 3 -0.478 -2.918 11.090 14 HA ALA 3 HA ALA 3 0.208 -4.744 9.069 15 HB1 ALA 3 HB1 ALA 3 -1.321 -2.178 9.173 16 HB2 ALA 3 HB2 ALA 3 -1.864 -3.791 8.711 17 HB3 ALA 3 HB3 ALA 3 -0.885 -2.836 7.596 18 H ALA 4 H ALA 4 1.775 -1.881 10.123 19 HA ALA 4 HA ALA 4 2.982 -0.801 7.918 20 HB1 ALA 4 HB1 ALA 4 5.029 -0.515 9.457 21 HB2 ALA 4 HB2 ALA 4 4.064 -1.342 10.679 22 HB3 ALA 4 HB3 ALA 4 3.503 0.184 9.999 23 H VAL 5 H VAL 5 3.549 -3.919 9.353 24 HA VAL 5 HA VAL 5 5.992 -4.700 8.463 25 HB VAL 5 HB VAL 5 4.565 -6.220 9.709 26 HG11 VAL 5 HG11 VAL 5 2.730 -7.401 8.270 27 HG12 VAL 5 HG12 VAL 5 2.815 -5.948 7.277 28 HG13 VAL 5 HG13 VAL 5 2.373 -5.826 8.980 29 HG21 VAL 5 HG21 VAL 5 6.166 -6.912 7.551 30 HG22 VAL 5 HG22 VAL 5 4.682 -7.815 7.253 31 HG23 VAL 5 HG23 VAL 5 5.555 -8.030 8.770 32 H ASP 6 H ASP 6 3.097 -4.133 6.561 33 HA ASP 6 HA ASP 6 3.917 -5.342 4.154 34 HB2 ASP 6 HB2 ASP 6 1.953 -3.287 4.954 35 HB3 ASP 6 HB3 ASP 6 2.532 -3.147 3.294 36 H THR 7 H THR 7 4.549 -2.199 5.594 37 HA THR 7 HA THR 7 5.987 -1.054 3.442 38 HB THR 7 HB THR 7 6.144 -0.567 6.428 39 HG1 THR 7 HG1 THR 7 4.568 0.760 6.052 40 HG21 THR 7 HG21 THR 7 7.332 1.511 5.825 41 HG22 THR 7 HG22 THR 7 7.340 1.011 4.133 42 HG23 THR 7 HG23 THR 7 8.248 0.088 5.331 43 H SER 8 H SER 8 6.851 -3.168 6.123 44 HA SER 8 HA SER 8 9.649 -3.063 5.919 45 HB2 SER 8 HB2 SER 8 9.677 -4.989 7.255 46 HB3 SER 8 HB3 SER 8 8.141 -4.235 7.670 47 HG SER 8 HG SER 8 7.801 -6.408 7.230 48 H SER 9 H SER 9 7.328 -4.413 3.780 49 HA SER 9 HA SER 9 8.864 -6.472 2.599 50 HB2 SER 9 HB2 SER 9 7.167 -6.625 1.041 51 HB3 SER 9 HB3 SER 9 6.322 -5.801 2.348 52 HG SER 9 HG SER 9 7.710 -4.402 0.318 53 H GLU 10 H GLU 10 8.811 -3.001 2.134 54 HA GLU 10 HA GLU 10 10.188 -2.958 -0.360 55 HB2 GLU 10 HB2 GLU 10 8.857 -1.081 0.942 56 HB3 GLU 10 HB3 GLU 10 10.454 -0.720 1.601 57 HG2 GLU 10 HG2 GLU 10 11.323 -0.673 -0.772 58 HG3 GLU 10 HG3 GLU 10 9.650 -0.783 -1.318 59 H ILE 11 H ILE 11 11.211 -3.027 2.992 60 HA ILE 11 HA ILE 11 13.657 -2.257 3.335 61 HB ILE 11 HB ILE 11 12.481 -4.002 4.721 62 HG12 ILE 11 HG12 ILE 11 15.081 -5.191 4.745 63 HG13 ILE 11 HG13 ILE 11 15.275 -3.480 4.358 64 HG21 ILE 11 HG21 ILE 11 14.005 -6.145 3.371 65 HG22 ILE 11 HG22 ILE 11 12.624 -5.530 2.463 66 HG23 ILE 11 HG23 ILE 11 12.392 -6.186 4.084 67 HD11 ILE 11 HD11 ILE 11 15.291 -3.553 6.729 68 HD12 ILE 11 HD12 ILE 11 13.960 -4.710 6.782 69 HD13 ILE 11 HD13 ILE 11 13.657 -3.037 6.314 70 H THR 12 H THR 12 14.466 -1.747 1.189 71 HA THR 12 HA THR 12 16.463 -3.644 0.353 72 HB THR 12 HB THR 12 14.226 -4.230 -0.874 73 HG1 THR 12 HG1 THR 12 16.408 -4.926 -1.376 74 HG21 THR 12 HG21 THR 12 13.826 -2.934 -2.890 75 HG22 THR 12 HG22 THR 12 15.203 -1.892 -2.537 76 HG23 THR 12 HG23 THR 12 13.775 -1.847 -1.503 77 H THR 13 H THR 13 14.686 -0.731 -0.612 78 HA THR 13 HA THR 13 17.008 0.481 -1.804 79 HB THR 13 HB THR 13 14.182 1.276 -1.272 80 HG1 THR 13 HG1 THR 13 15.589 2.068 -3.509 81 HG21 THR 13 HG21 THR 13 14.801 3.638 -1.981 82 HG22 THR 13 HG22 THR 13 16.475 3.220 -1.614 83 HG23 THR 13 HG23 THR 13 15.259 3.198 -0.336 84 H LYS 14 H LYS 14 15.508 0.323 1.307 85 HA LYS 14 HA LYS 14 16.894 2.551 2.476 86 HB2 LYS 14 HB2 LYS 14 14.774 0.873 3.214 87 HB3 LYS 14 HB3 LYS 14 16.058 0.516 4.369 88 HG2 LYS 14 HG2 LYS 14 16.230 2.821 5.017 89 HG3 LYS 14 HG3 LYS 14 15.189 3.334 3.689 90 HD2 LYS 14 HD2 LYS 14 13.264 2.639 4.745 91 HD3 LYS 14 HD3 LYS 14 14.079 1.321 5.588 92 HE2 LYS 14 HE2 LYS 14 14.511 4.246 6.248 93 HE3 LYS 14 HE3 LYS 14 13.352 3.216 7.089 94 HZ1 LYS 14 HZ1 LYS 14 16.006 3.481 7.682 95 HZ2 LYS 14 HZ2 LYS 14 15.920 1.991 6.871 96 HZ3 LYS 14 HZ3 LYS 14 14.968 2.266 8.251 97 H ASP 15 H ASP 15 17.307 -0.956 2.386 98 HA ASP 15 HA ASP 15 19.507 -1.185 4.119 99 HB2 ASP 15 HB2 ASP 15 18.282 -2.793 1.975 100 HB3 ASP 15 HB3 ASP 15 20.005 -3.080 2.210 101 H LEU 16 H LEU 16 19.210 -0.363 0.733 102 HA LEU 16 HA LEU 16 21.868 -0.414 -0.085 103 HB2 LEU 16 HB2 LEU 16 19.564 0.227 -1.291 104 HB3 LEU 16 HB3 LEU 16 20.152 1.857 -0.974 105 HG LEU 16 HG LEU 16 22.407 0.552 -1.941 106 HD11 LEU 16 HD11 LEU 16 21.814 -0.780 -3.780 107 HD12 LEU 16 HD12 LEU 16 20.166 -0.155 -3.825 108 HD13 LEU 16 HD13 LEU 16 20.648 -1.282 -2.557 109 HD21 LEU 16 HD21 LEU 16 20.314 2.301 -3.248 110 HD22 LEU 16 HD22 LEU 16 21.801 1.843 -4.076 111 HD23 LEU 16 HD23 LEU 16 21.876 2.785 -2.587 112 H LYS 17 H LYS 17 20.132 1.837 1.916 113 HA LYS 17 HA LYS 17 21.837 4.061 1.806 114 HB2 LYS 17 HB2 LYS 17 19.532 3.829 2.926 115 HB3 LYS 17 HB3 LYS 17 20.412 3.180 4.310 116 HG2 LYS 17 HG2 LYS 17 21.131 5.228 4.931 117 HG3 LYS 17 HG3 LYS 17 21.639 5.627 3.291 118 HD2 LYS 17 HD2 LYS 17 18.716 5.599 4.019 119 HD3 LYS 17 HD3 LYS 17 19.713 7.016 4.354 120 HE2 LYS 17 HE2 LYS 17 20.083 7.459 2.105 121 HE3 LYS 17 HE3 LYS 17 19.829 5.781 1.627 122 HZ1 LYS 17 HZ1 LYS 17 17.917 6.879 0.927 123 HZ2 LYS 17 HZ2 LYS 17 17.811 7.819 2.338 124 HZ3 LYS 17 HZ3 LYS 17 17.444 6.162 2.390 125 H GLU 18 H GLU 18 22.021 1.094 3.688 126 HA GLU 18 HA GLU 18 24.023 1.826 5.504 127 HB2 GLU 18 HB2 GLU 18 22.811 -0.648 4.557 128 HB3 GLU 18 HB3 GLU 18 24.523 -0.847 4.922 129 HG2 GLU 18 HG2 GLU 18 23.189 -1.266 6.932 130 HG3 GLU 18 HG3 GLU 18 24.151 0.196 7.143 131 H LYS 19 H LYS 19 24.254 0.552 2.212 132 HA LYS 19 HA LYS 19 27.089 0.310 2.176 133 HB2 LYS 19 HB2 LYS 19 24.894 0.251 0.173 134 HB3 LYS 19 HB3 LYS 19 26.512 0.612 -0.430 135 HG2 LYS 19 HG2 LYS 19 27.380 -1.421 0.666 136 HG3 LYS 19 HG3 LYS 19 25.762 -1.786 1.268 137 HD2 LYS 19 HD2 LYS 19 25.811 -3.074 -0.669 138 HD3 LYS 19 HD3 LYS 19 25.099 -1.579 -1.278 139 HE2 LYS 19 HE2 LYS 19 26.950 -2.414 -2.729 140 HE3 LYS 19 HE3 LYS 19 27.280 -0.813 -2.064 141 HZ1 LYS 19 HZ1 LYS 19 28.237 -3.345 -0.847 142 HZ2 LYS 19 HZ2 LYS 19 28.665 -1.764 -0.394 143 HZ3 LYS 19 HZ3 LYS 19 29.166 -2.388 -1.893 144 H LYS 20 H LYS 20 24.855 2.861 1.129 145 HA LYS 20 HA LYS 20 26.801 4.596 0.045 146 HB2 LYS 20 HB2 LYS 20 24.068 4.617 0.220 147 HB3 LYS 20 HB3 LYS 20 24.510 5.893 1.354 148 HG2 LYS 20 HG2 LYS 20 24.393 7.042 -0.692 149 HG3 LYS 20 HG3 LYS 20 26.116 6.694 -0.537 150 HD2 LYS 20 HD2 LYS 20 25.014 4.414 -1.762 151 HD3 LYS 20 HD3 LYS 20 24.244 5.785 -2.561 152 HE2 LYS 20 HE2 LYS 20 27.236 5.544 -2.142 153 HE3 LYS 20 HE3 LYS 20 26.410 5.073 -3.627 154 HZ1 LYS 20 HZ1 LYS 20 25.457 7.567 -3.114 155 HZ2 LYS 20 HZ2 LYS 20 26.670 7.180 -4.239 156 HZ3 LYS 20 HZ3 LYS 20 27.091 7.685 -2.672 157 H GLU 21 H GLU 21 25.725 3.967 3.306 158 HA GLU 21 HA GLU 21 26.694 6.261 4.599 159 HB2 GLU 21 HB2 GLU 21 25.817 3.582 5.359 160 HB3 GLU 21 HB3 GLU 21 27.108 4.187 6.397 161 HG2 GLU 21 HG2 GLU 21 25.862 6.090 7.037 162 HG3 GLU 21 HG3 GLU 21 24.736 5.909 5.693 163 H VAL 22 H VAL 22 28.316 3.315 3.542 164 HA VAL 22 HA VAL 22 30.730 3.589 4.926 165 HB VAL 22 HB VAL 22 30.122 2.422 2.206 166 HG11 VAL 22 HG11 VAL 22 32.685 2.927 3.571 167 HG12 VAL 22 HG12 VAL 22 32.367 2.553 1.877 168 HG13 VAL 22 HG13 VAL 22 32.456 1.253 3.064 169 HG21 VAL 22 HG21 VAL 22 29.735 1.558 4.906 170 HG22 VAL 22 HG22 VAL 22 30.999 0.556 4.195 171 HG23 VAL 22 HG23 VAL 22 29.417 0.660 3.422 172 H VAL 23 H VAL 23 29.484 5.322 2.173 173 HA VAL 23 HA VAL 23 31.826 6.320 1.039 174 HB VAL 23 HB VAL 23 29.130 7.653 1.371 175 HG11 VAL 23 HG11 VAL 23 31.675 8.557 0.168 176 HG12 VAL 23 HG12 VAL 23 30.286 9.502 0.708 177 HG13 VAL 23 HG13 VAL 23 30.263 8.724 -0.875 178 HG21 VAL 23 HG21 VAL 23 28.621 6.767 -0.769 179 HG22 VAL 23 HG22 VAL 23 29.403 5.431 0.075 180 HG23 VAL 23 HG23 VAL 23 30.310 6.381 -1.103 181 H GLU 24 H GLU 24 30.145 7.279 3.972 182 HA GLU 24 HA GLU 24 31.314 9.751 4.477 183 HB2 GLU 24 HB2 GLU 24 29.968 7.697 6.016 184 HB3 GLU 24 HB3 GLU 24 31.263 8.440 6.952 185 HG2 GLU 24 HG2 GLU 24 30.359 10.655 6.547 186 HG3 GLU 24 HG3 GLU 24 29.144 10.000 5.449 187 H GLU 25 H GLU 25 32.578 6.500 4.932 188 HA GLU 25 HA GLU 25 34.872 7.044 6.408 189 HB2 GLU 25 HB2 GLU 25 34.417 5.019 4.206 190 HB3 GLU 25 HB3 GLU 25 35.834 5.030 5.255 191 HG2 GLU 25 HG2 GLU 25 34.422 4.760 7.228 192 HG3 GLU 25 HG3 GLU 25 32.969 4.853 6.233 193 H ALA 26 H ALA 26 34.011 7.999 3.255 194 HA ALA 26 HA ALA 26 36.430 8.163 1.901 195 HB1 ALA 26 HB1 ALA 26 34.370 8.716 0.779 196 HB2 ALA 26 HB2 ALA 26 35.411 10.138 0.732 197 HB3 ALA 26 HB3 ALA 26 34.075 10.060 1.882 198 H GLU 27 H GLU 27 35.139 10.213 4.441 199 HA GLU 27 HA GLU 27 36.739 12.446 4.304 200 HB2 GLU 27 HB2 GLU 27 34.956 12.103 5.987 201 HB3 GLU 27 HB3 GLU 27 35.992 10.949 6.829 202 HG2 GLU 27 HG2 GLU 27 37.450 12.586 7.573 203 HG3 GLU 27 HG3 GLU 27 37.095 13.662 6.223 204 H ASN 28 H ASN 28 37.682 9.199 4.939 205 HA ASN 28 HA ASN 28 40.436 10.122 5.483 206 HB2 ASN 28 HB2 ASN 28 40.518 7.815 6.780 207 HB3 ASN 28 HB3 ASN 28 39.955 9.285 7.574 208 HD21 ASN 28 HD21 ASN 28 37.831 9.268 8.384 209 HD22 ASN 28 HD22 ASN 28 36.700 8.042 8.068
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