NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
527933 | 2l9i | 17458 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 HH32 ACE 1 38.911 14.494 14.967 2 H2 ACE 1 HH33 ACE 1 38.089 13.608 16.275 3 H3 ACE 1 HH31 ACE 1 37.720 13.231 14.576 4 H SER 2 H SER 2 35.543 13.641 15.821 5 HA SER 2 HA SER 2 34.276 15.763 14.538 6 HB2 SER 2 HB2 SER 2 33.327 14.314 17.038 7 HB3 SER 2 HB3 SER 2 32.311 15.189 15.877 8 HG SER 2 HG SER 2 32.340 12.908 15.479 9 H ASP 3 H ASP 3 35.774 15.862 17.732 10 HA ASP 3 HA ASP 3 34.410 18.183 18.720 11 HB2 ASP 3 HB2 ASP 3 35.690 16.420 20.019 12 HB3 ASP 3 HB3 ASP 3 37.181 17.187 19.463 13 H ALA 4 H ALA 4 36.913 17.938 16.301 14 HA ALA 4 HA ALA 4 38.018 20.578 16.529 15 HB1 ALA 4 HB1 ALA 4 39.021 18.744 15.202 16 HB2 ALA 4 HB2 ALA 4 37.644 18.804 14.076 17 HB3 ALA 4 HB3 ALA 4 38.743 20.191 14.215 18 H ALA 5 H ALA 5 34.949 19.406 15.160 19 HA ALA 5 HA ALA 5 34.251 21.933 13.878 20 HB1 ALA 5 HB1 ALA 5 32.527 19.533 14.620 21 HB2 ALA 5 HB2 ALA 5 32.099 20.842 13.502 22 HB3 ALA 5 HB3 ALA 5 33.420 19.733 13.092 23 H VAL 6 H VAL 6 34.369 20.961 17.125 24 HA VAL 6 HA VAL 6 32.455 23.062 18.028 25 HB VAL 6 HB VAL 6 33.515 20.939 19.859 26 HG11 VAL 6 HG11 VAL 6 30.804 22.350 19.675 27 HG12 VAL 6 HG12 VAL 6 31.328 21.254 20.972 28 HG13 VAL 6 HG13 VAL 6 32.112 22.820 20.773 29 HG21 VAL 6 HG21 VAL 6 31.135 20.516 17.996 30 HG22 VAL 6 HG22 VAL 6 32.629 19.553 18.037 31 HG23 VAL 6 HG23 VAL 6 31.526 19.504 19.405 32 H ASP 7 H ASP 7 35.389 23.094 17.145 33 HA ASP 7 HA ASP 7 37.345 24.075 17.605 34 HB2 ASP 7 HB2 ASP 7 35.807 26.021 17.707 35 HB3 ASP 7 HB3 ASP 7 35.776 25.876 19.465 36 H THR 8 H THR 8 36.970 21.733 18.941 37 HA THR 8 HA THR 8 37.771 20.368 20.488 38 HB THR 8 HB THR 8 39.938 22.354 21.185 39 HG1 THR 8 HG1 THR 8 39.940 22.094 18.955 40 HG21 THR 8 HG21 THR 8 39.829 19.295 21.123 41 HG22 THR 8 HG22 THR 8 41.241 20.287 21.551 42 HG23 THR 8 HG23 THR 8 39.813 20.287 22.592 43 H SER 9 H SER 9 35.691 20.808 21.522 44 HA SER 9 HA SER 9 35.461 22.509 23.838 45 HB2 SER 9 HB2 SER 9 33.370 21.428 24.233 46 HB3 SER 9 HB3 SER 9 33.530 21.719 22.496 47 HG SER 9 HG SER 9 34.188 19.515 22.269 48 H SER 10 H SER 10 36.843 19.333 23.373 49 HA SER 10 HA SER 10 36.737 18.234 25.948 50 HB2 SER 10 HB2 SER 10 39.065 18.103 23.988 51 HB3 SER 10 HB3 SER 10 38.743 16.975 25.316 52 HG SER 10 HG SER 10 37.256 17.443 22.950 53 H GLU 11 H GLU 11 38.622 21.058 25.009 54 HA GLU 11 HA GLU 11 40.318 20.896 27.427 55 HB2 GLU 11 HB2 GLU 11 40.094 23.006 25.256 56 HB3 GLU 11 HB3 GLU 11 41.196 23.083 26.636 57 HG2 GLU 11 HG2 GLU 11 42.216 20.909 25.909 58 HG3 GLU 11 HG3 GLU 11 41.208 20.947 24.463 59 H ILE 12 H ILE 12 37.560 22.716 26.323 60 HA ILE 12 HA ILE 12 37.501 24.328 28.798 61 HB ILE 12 HB ILE 12 35.722 25.648 27.762 62 HG12 ILE 12 HG12 ILE 12 36.097 24.270 25.101 63 HG13 ILE 12 HG13 ILE 12 35.000 23.524 26.262 64 HG21 ILE 12 HG21 ILE 12 38.078 26.271 27.415 65 HG22 ILE 12 HG22 ILE 12 38.131 25.308 25.924 66 HG23 ILE 12 HG23 ILE 12 37.072 26.728 26.030 67 HD11 ILE 12 HD11 ILE 12 34.748 26.388 25.290 68 HD12 ILE 12 HD12 ILE 12 33.782 24.995 24.750 69 HD13 ILE 12 HD13 ILE 12 33.666 25.541 26.432 70 H THR 13 H THR 13 35.959 21.521 27.785 71 HA THR 13 HA THR 13 33.432 21.561 28.717 72 HB THR 13 HB THR 13 34.415 19.688 27.630 73 HG1 THR 13 HG1 THR 13 32.657 19.053 28.789 74 HG21 THR 13 HG21 THR 13 35.989 18.144 28.665 75 HG22 THR 13 HG22 THR 13 36.678 19.773 28.794 76 HG23 THR 13 HG23 THR 13 35.919 19.023 30.207 77 H THR 14 H THR 14 36.183 21.547 31.063 78 HA THR 14 HA THR 14 34.407 20.991 33.286 79 HB THR 14 HB THR 14 37.064 22.452 33.442 80 HG1 THR 14 HG1 THR 14 37.568 20.458 32.709 81 HG21 THR 14 HG21 THR 14 35.254 21.054 35.463 82 HG22 THR 14 HG22 THR 14 36.965 21.452 35.789 83 HG23 THR 14 HG23 THR 14 35.792 22.744 35.483 84 H LYS 15 H LYS 15 35.294 23.987 31.673 85 HA LYS 15 HA LYS 15 33.893 25.796 33.503 86 HB2 LYS 15 HB2 LYS 15 34.548 26.154 30.539 87 HB3 LYS 15 HB3 LYS 15 34.003 27.406 31.648 88 HG2 LYS 15 HG2 LYS 15 36.050 27.158 32.998 89 HG3 LYS 15 HG3 LYS 15 36.628 25.872 31.920 90 HD2 LYS 15 HD2 LYS 15 36.647 27.437 30.010 91 HD3 LYS 15 HD3 LYS 15 36.027 28.736 31.057 92 HE2 LYS 15 HE2 LYS 15 38.048 28.512 32.508 93 HE3 LYS 15 HE3 LYS 15 38.679 27.261 31.431 94 HZ1 LYS 15 HZ1 LYS 15 38.145 30.086 30.638 95 HZ2 LYS 15 HZ2 LYS 15 39.620 29.447 30.908 96 HZ3 LYS 15 HZ3 LYS 15 38.735 28.934 29.637 97 H ASP 16 H ASP 16 33.011 24.021 30.540 98 HA ASP 16 HA ASP 16 30.263 24.857 30.457 99 HB2 ASP 16 HB2 ASP 16 31.497 23.661 28.608 100 HB3 ASP 16 HB3 ASP 16 31.366 22.173 29.543 101 H LEU 17 H LEU 17 31.869 22.248 32.408 102 HA LEU 17 HA LEU 17 29.244 21.268 33.168 103 HB2 LEU 17 HB2 LEU 17 32.103 20.570 33.931 104 HB3 LEU 17 HB3 LEU 17 30.741 19.790 34.745 105 HG LEU 17 HG LEU 17 30.982 19.819 31.715 106 HD11 LEU 17 HD11 LEU 17 33.020 18.764 32.633 107 HD12 LEU 17 HD12 LEU 17 32.027 17.701 33.656 108 HD13 LEU 17 HD13 LEU 17 31.974 17.555 31.883 109 HD21 LEU 17 HD21 LEU 17 29.564 17.795 31.879 110 HD22 LEU 17 HD22 LEU 17 29.502 17.978 33.645 111 HD23 LEU 17 HD23 LEU 17 28.765 19.199 32.585 112 H LYS 18 H LYS 18 31.483 23.547 34.637 113 HA LYS 18 HA LYS 18 29.831 23.815 37.063 114 HB2 LYS 18 HB2 LYS 18 31.940 25.565 35.694 115 HB3 LYS 18 HB3 LYS 18 30.909 26.226 36.959 116 HG2 LYS 18 HG2 LYS 18 32.825 25.572 38.077 117 HG3 LYS 18 HG3 LYS 18 31.608 24.355 38.475 118 HD2 LYS 18 HD2 LYS 18 32.650 22.833 36.748 119 HD3 LYS 18 HD3 LYS 18 33.903 24.048 36.481 120 HE2 LYS 18 HE2 LYS 18 33.301 22.642 39.133 121 HE3 LYS 18 HE3 LYS 18 34.568 22.162 38.005 122 HZ1 LYS 18 HZ1 LYS 18 35.619 24.363 38.360 123 HZ2 LYS 18 HZ2 LYS 18 34.471 24.763 39.461 124 HZ3 LYS 18 HZ3 LYS 18 35.493 23.534 39.758 125 H GLU 19 H GLU 19 29.467 24.918 33.771 126 HA GLU 19 HA GLU 19 27.218 26.647 34.355 127 HB2 GLU 19 HB2 GLU 19 28.692 26.176 32.105 128 HB3 GLU 19 HB3 GLU 19 27.325 25.100 31.789 129 HG2 GLU 19 HG2 GLU 19 25.777 27.020 32.265 130 HG3 GLU 19 HG3 GLU 19 27.198 28.056 32.458 131 H LYS 20 H LYS 20 27.538 23.250 33.354 132 HA LYS 20 HA LYS 20 24.725 22.667 33.465 133 HB2 LYS 20 HB2 LYS 20 27.084 20.743 33.661 134 HB3 LYS 20 HB3 LYS 20 25.416 20.255 33.427 135 HG2 LYS 20 HG2 LYS 20 27.108 21.818 31.457 136 HG3 LYS 20 HG3 LYS 20 26.545 20.157 31.327 137 HD2 LYS 20 HD2 LYS 20 24.163 21.078 31.367 138 HD3 LYS 20 HD3 LYS 20 24.857 22.698 31.192 139 HE2 LYS 20 HE2 LYS 20 25.258 20.363 29.270 140 HE3 LYS 20 HE3 LYS 20 24.097 21.673 29.055 141 HZ1 LYS 20 HZ1 LYS 20 26.011 23.243 28.999 142 HZ2 LYS 20 HZ2 LYS 20 27.077 21.993 29.084 143 HZ3 LYS 20 HZ3 LYS 20 26.093 22.147 27.797 144 H LYS 21 H LYS 21 26.872 22.928 36.082 145 HA LYS 21 HA LYS 21 25.128 21.502 38.026 146 HB2 LYS 21 HB2 LYS 21 27.891 22.736 38.247 147 HB3 LYS 21 HB3 LYS 21 26.962 22.174 39.645 148 HG2 LYS 21 HG2 LYS 21 26.795 19.917 38.691 149 HG3 LYS 21 HG3 LYS 21 27.698 20.423 37.255 150 HD2 LYS 21 HD2 LYS 21 29.656 20.974 38.657 151 HD3 LYS 21 HD3 LYS 21 28.791 20.463 40.111 152 HE2 LYS 21 HE2 LYS 21 29.408 18.661 37.715 153 HE3 LYS 21 HE3 LYS 21 30.416 18.775 39.158 154 HZ1 LYS 21 HZ1 LYS 21 27.593 17.816 39.134 155 HZ2 LYS 21 HZ2 LYS 21 28.919 16.895 39.342 156 HZ3 LYS 21 HZ3 LYS 21 28.509 17.984 40.482 157 H GLU 22 H GLU 22 25.580 24.639 36.787 158 HA GLU 22 HA GLU 22 24.640 26.046 39.259 159 HB2 GLU 22 HB2 GLU 22 26.672 26.963 38.248 160 HB3 GLU 22 HB3 GLU 22 25.836 27.175 36.698 161 HG2 GLU 22 HG2 GLU 22 24.278 28.778 37.750 162 HG3 GLU 22 HG3 GLU 22 25.031 28.503 39.323 163 H VAL 23 H VAL 23 24.070 25.857 35.732 164 HA VAL 23 HA VAL 23 21.444 26.877 35.619 165 HB VAL 23 HB VAL 23 23.096 25.994 33.771 166 HG11 VAL 23 HG11 VAL 23 22.648 23.913 32.738 167 HG12 VAL 23 HG12 VAL 23 23.064 23.605 34.430 168 HG13 VAL 23 HG13 VAL 23 21.372 23.510 33.900 169 HG21 VAL 23 HG21 VAL 23 20.903 27.122 33.351 170 HG22 VAL 23 HG22 VAL 23 21.215 25.832 32.173 171 HG23 VAL 23 HG23 VAL 23 20.091 25.543 33.518 172 H VAL 24 H VAL 24 22.700 23.708 36.628 173 HA VAL 24 HA VAL 24 19.883 22.720 36.728 174 HB VAL 24 HB VAL 24 21.880 21.342 36.078 175 HG11 VAL 24 HG11 VAL 24 22.876 19.948 37.802 176 HG12 VAL 24 HG12 VAL 24 23.007 21.618 38.396 177 HG13 VAL 24 HG13 VAL 24 21.756 20.560 39.040 178 HG21 VAL 24 HG21 VAL 24 20.701 19.285 36.635 179 HG22 VAL 24 HG22 VAL 24 19.660 20.179 37.769 180 HG23 VAL 24 HG23 VAL 24 19.619 20.540 36.024 181 H GLU 25 H GLU 25 22.149 23.817 39.261 182 HA GLU 25 HA GLU 25 20.311 23.245 41.425 183 HB2 GLU 25 HB2 GLU 25 22.684 25.081 41.071 184 HB3 GLU 25 HB3 GLU 25 21.627 25.223 42.489 185 HG2 GLU 25 HG2 GLU 25 21.982 22.796 42.971 186 HG3 GLU 25 HG3 GLU 25 23.162 22.726 41.666 187 H GLU 26 H GLU 26 20.683 26.024 39.240 188 HA GLU 26 HA GLU 26 18.526 27.554 40.402 189 HB2 GLU 26 HB2 GLU 26 19.902 27.614 37.699 190 HB3 GLU 26 HB3 GLU 26 18.566 28.689 38.081 191 HG2 GLU 26 HG2 GLU 26 21.087 28.548 39.782 192 HG3 GLU 26 HG3 GLU 26 20.879 29.651 38.428 193 H ALA 27 H ALA 27 18.405 24.710 38.420 194 HA ALA 27 HA ALA 27 15.592 25.149 37.651 195 HB1 ALA 27 HB1 ALA 27 17.333 22.668 37.378 196 HB2 ALA 27 HB2 ALA 27 15.753 22.953 36.634 197 HB3 ALA 27 HB3 ALA 27 17.144 23.939 36.146 198 H GLU 28 H GLU 28 17.350 23.793 40.359 199 HA GLU 28 HA GLU 28 14.950 22.439 41.477 200 HB2 GLU 28 HB2 GLU 28 17.824 22.666 42.448 201 HB3 GLU 28 HB3 GLU 28 16.517 21.886 43.346 202 HG2 GLU 28 HG2 GLU 28 16.133 20.339 41.421 203 HG3 GLU 28 HG3 GLU 28 17.534 21.028 40.605 204 H ASN 29 H ASN 29 16.765 25.417 41.855 205 HA ASN 29 HA ASN 29 15.822 26.280 44.387 206 HB2 ASN 29 HB2 ASN 29 17.825 27.144 43.179 207 HB3 ASN 29 HB3 ASN 29 16.771 27.884 41.978 208 HD21 ASN 29 HD22 ASN 29 18.177 29.769 42.681 209 HD22 ASN 29 HD21 ASN 29 17.554 30.712 44.049 Start of MODEL 2 1 H1 ACE 1 HH32 ACE 1 39.461 14.228 15.330 2 H2 ACE 1 HH33 ACE 1 38.545 14.009 16.834 3 H3 ACE 1 HH31 ACE 1 38.091 13.026 15.513 4 H SER 2 H SER 2 36.054 14.394 16.310 5 HA SER 2 HA SER 2 35.390 16.377 14.374 6 HB2 SER 2 HB2 SER 2 33.326 16.445 15.435 7 HB3 SER 2 HB3 SER 2 33.858 14.786 14.913 8 HG SER 2 HG SER 2 33.119 15.702 17.289 9 H ASP 3 H ASP 3 36.806 16.523 17.566 10 HA ASP 3 HA ASP 3 35.612 18.879 18.502 11 HB2 ASP 3 HB2 ASP 3 36.875 16.864 19.627 12 HB3 ASP 3 HB3 ASP 3 38.328 17.724 19.316 13 H ALA 4 H ALA 4 38.135 18.490 16.465 14 HA ALA 4 HA ALA 4 39.601 20.937 16.404 15 HB1 ALA 4 HB1 ALA 4 40.271 19.174 15.103 16 HB2 ALA 4 HB2 ALA 4 38.845 19.056 14.111 17 HB3 ALA 4 HB3 ALA 4 39.744 20.520 13.955 18 H ALA 5 H ALA 5 36.435 19.991 14.824 19 HA ALA 5 HA ALA 5 35.892 22.507 13.760 20 HB1 ALA 5 HB1 ALA 5 33.621 21.801 13.324 21 HB2 ALA 5 HB2 ALA 5 34.542 20.249 13.010 22 HB3 ALA 5 HB3 ALA 5 33.725 20.538 14.540 23 H VAL 6 H VAL 6 36.060 22.036 17.172 24 HA VAL 6 HA VAL 6 33.971 23.973 17.724 25 HB VAL 6 HB VAL 6 34.525 21.866 19.671 26 HG11 VAL 6 HG11 VAL 6 32.245 24.011 19.413 27 HG12 VAL 6 HG12 VAL 6 32.146 22.562 20.413 28 HG13 VAL 6 HG13 VAL 6 33.424 23.865 20.588 29 HG21 VAL 6 HG21 VAL 6 32.612 21.913 17.378 30 HG22 VAL 6 HG22 VAL 6 33.552 20.537 17.949 31 HG23 VAL 6 HG23 VAL 6 32.104 21.072 18.824 32 H ASP 7 H ASP 7 37.340 23.714 17.527 33 HA ASP 7 HA ASP 7 39.123 24.607 18.325 34 HB2 ASP 7 HB2 ASP 7 37.772 26.596 18.370 35 HB3 ASP 7 HB3 ASP 7 37.454 26.531 20.121 36 H THR 8 H THR 8 38.507 22.411 19.111 37 HA THR 8 HA THR 8 38.724 20.590 20.449 38 HB THR 8 HB THR 8 41.078 21.770 21.712 39 HG1 THR 8 HG1 THR 8 41.098 22.247 19.433 40 HG21 THR 8 HG21 THR 8 41.954 19.362 21.568 41 HG22 THR 8 HG22 THR 8 40.586 19.636 22.622 42 HG23 THR 8 HG23 THR 8 40.366 18.932 20.998 43 H SER 9 H SER 9 36.607 21.547 21.437 44 HA SER 9 HA SER 9 36.259 22.685 24.024 45 HB2 SER 9 HB2 SER 9 34.083 21.995 23.786 46 HB3 SER 9 HB3 SER 9 34.660 22.316 22.127 47 HG SER 9 HG SER 9 35.135 20.162 22.039 48 H SER 10 H SER 10 37.481 19.363 23.493 49 HA SER 10 HA SER 10 36.505 18.370 26.134 50 HB2 SER 10 HB2 SER 10 38.571 17.102 24.428 51 HB3 SER 10 HB3 SER 10 37.451 16.359 25.637 52 HG SER 10 HG SER 10 36.924 17.432 23.060 53 H GLU 11 H GLU 11 38.654 20.705 25.525 54 HA GLU 11 HA GLU 11 40.520 20.039 27.753 55 HB2 GLU 11 HB2 GLU 11 40.596 22.117 25.517 56 HB3 GLU 11 HB3 GLU 11 41.567 22.271 26.945 57 HG2 GLU 11 HG2 GLU 11 42.536 19.895 26.411 58 HG3 GLU 11 HG3 GLU 11 41.512 19.892 24.955 59 H ILE 12 H ILE 12 37.998 22.256 26.652 60 HA ILE 12 HA ILE 12 38.351 23.824 28.925 61 HB ILE 12 HB ILE 12 36.919 25.366 28.142 62 HG12 ILE 12 HG12 ILE 12 36.519 23.605 25.647 63 HG13 ILE 12 HG13 ILE 12 35.430 23.708 26.932 64 HG21 ILE 12 HG21 ILE 12 39.331 25.422 27.535 65 HG22 ILE 12 HG22 ILE 12 39.091 24.610 26.070 66 HG23 ILE 12 HG23 ILE 12 38.314 26.273 26.314 67 HD11 ILE 12 HD11 ILE 12 36.211 26.198 25.420 68 HD12 ILE 12 HD12 ILE 12 34.806 25.064 25.036 69 HD13 ILE 12 HD13 ILE 12 34.856 25.901 26.566 70 H THR 13 H THR 13 36.224 21.344 28.017 71 HA THR 13 HA THR 13 33.658 21.571 28.771 72 HB THR 13 HB THR 13 34.569 19.779 27.798 73 HG1 THR 13 HG1 THR 13 33.578 18.282 28.904 74 HG21 THR 13 HG21 THR 13 36.756 19.427 28.622 75 HG22 THR 13 HG22 THR 13 36.144 18.951 30.185 76 HG23 THR 13 HG23 THR 13 35.951 17.990 28.802 77 H THR 14 H THR 14 36.299 21.423 31.351 78 HA THR 14 HA THR 14 34.331 20.905 33.402 79 HB THR 14 HB THR 14 36.857 22.533 34.159 80 HG1 THR 14 HG1 THR 14 37.650 20.799 33.123 81 HG21 THR 14 HG21 THR 14 36.522 20.856 36.109 82 HG22 THR 14 HG22 THR 14 35.315 22.244 35.931 83 HG23 THR 14 HG23 THR 14 34.904 20.648 35.348 84 H LYS 15 H LYS 15 35.309 23.992 31.840 85 HA LYS 15 HA LYS 15 33.849 25.747 33.657 86 HB2 LYS 15 HB2 LYS 15 34.407 26.130 30.691 87 HB3 LYS 15 HB3 LYS 15 33.761 27.299 31.853 88 HG2 LYS 15 HG2 LYS 15 35.502 27.563 33.094 89 HG3 LYS 15 HG3 LYS 15 36.300 26.116 32.829 90 HD2 LYS 15 HD2 LYS 15 36.812 26.705 30.467 91 HD3 LYS 15 HD3 LYS 15 36.046 28.317 30.696 92 HE2 LYS 15 HE2 LYS 15 37.543 28.646 32.633 93 HE3 LYS 15 HE3 LYS 15 38.644 27.408 31.856 94 HZ1 LYS 15 HZ1 LYS 15 37.836 29.847 30.488 95 HZ2 LYS 15 HZ2 LYS 15 39.094 29.693 31.381 96 HZ3 LYS 15 HZ3 LYS 15 38.981 28.826 30.060 97 H ASP 16 H ASP 16 33.023 24.100 30.639 98 HA ASP 16 HA ASP 16 30.197 24.828 30.416 99 HB2 ASP 16 HB2 ASP 16 31.409 23.982 28.564 100 HB3 ASP 16 HB3 ASP 16 31.554 22.374 29.246 101 H LEU 17 H LEU 17 31.831 22.357 32.343 102 HA LEU 17 HA LEU 17 29.246 21.225 33.117 103 HB2 LEU 17 HB2 LEU 17 32.117 20.385 33.731 104 HB3 LEU 17 HB3 LEU 17 30.676 19.483 34.410 105 HG LEU 17 HG LEU 17 31.041 19.960 31.452 106 HD11 LEU 17 HD11 LEU 17 32.320 17.832 33.264 107 HD12 LEU 17 HD12 LEU 17 32.464 17.680 31.483 108 HD13 LEU 17 HD13 LEU 17 33.196 18.993 32.342 109 HD21 LEU 17 HD21 LEU 17 29.853 17.645 32.952 110 HD22 LEU 17 HD22 LEU 17 28.907 19.061 32.467 111 HD23 LEU 17 HD23 LEU 17 29.696 17.939 31.307 112 H LYS 18 H LYS 18 31.466 23.245 34.691 113 HA LYS 18 HA LYS 18 29.698 23.627 37.010 114 HB2 LYS 18 HB2 LYS 18 32.029 25.179 35.704 115 HB3 LYS 18 HB3 LYS 18 31.080 25.955 36.991 116 HG2 LYS 18 HG2 LYS 18 32.704 25.075 38.405 117 HG3 LYS 18 HG3 LYS 18 31.491 23.866 38.491 118 HD2 LYS 18 HD2 LYS 18 32.548 22.479 36.802 119 HD3 LYS 18 HD3 LYS 18 33.854 23.737 36.785 120 HE2 LYS 18 HE2 LYS 18 32.846 22.058 39.053 121 HE3 LYS 18 HE3 LYS 18 34.263 21.594 38.213 122 HZ1 LYS 18 HZ1 LYS 18 35.236 23.743 39.001 123 HZ2 LYS 18 HZ2 LYS 18 33.941 23.922 40.027 124 HZ3 LYS 18 HZ3 LYS 18 34.996 22.627 40.125 125 H GLU 19 H GLU 19 29.671 24.979 33.787 126 HA GLU 19 HA GLU 19 27.554 26.661 34.260 127 HB2 GLU 19 HB2 GLU 19 28.985 26.546 32.187 128 HB3 GLU 19 HB3 GLU 19 27.952 25.088 31.692 129 HG2 GLU 19 HG2 GLU 19 26.077 26.455 31.554 130 HG3 GLU 19 HG3 GLU 19 26.955 27.864 32.345 131 H LYS 20 H LYS 20 27.659 23.303 33.386 132 HA LYS 20 HA LYS 20 24.847 22.705 33.399 133 HB2 LYS 20 HB2 LYS 20 27.148 20.749 34.006 134 HB3 LYS 20 HB3 LYS 20 25.444 20.387 33.801 135 HG2 LYS 20 HG2 LYS 20 27.260 21.479 31.768 136 HG3 LYS 20 HG3 LYS 20 26.526 19.904 31.810 137 HD2 LYS 20 HD2 LYS 20 24.228 21.336 31.633 138 HD3 LYS 20 HD3 LYS 20 25.346 22.584 30.985 139 HE2 LYS 20 HE2 LYS 20 25.025 19.801 29.881 140 HE3 LYS 20 HE3 LYS 20 24.429 21.232 29.222 141 HZ1 LYS 20 HZ1 LYS 20 26.224 21.249 28.011 142 HZ2 LYS 20 HZ2 LYS 20 26.770 22.104 29.196 143 HZ3 LYS 20 HZ3 LYS 20 27.153 20.492 29.147 144 H LYS 21 H LYS 21 26.901 23.570 36.003 145 HA LYS 21 HA LYS 21 25.383 21.979 37.982 146 HB2 LYS 21 HB2 LYS 21 28.014 23.335 38.214 147 HB3 LYS 21 HB3 LYS 21 27.102 23.075 39.667 148 HG2 LYS 21 HG2 LYS 21 28.070 20.873 37.707 149 HG3 LYS 21 HG3 LYS 21 28.748 21.187 39.270 150 HD2 LYS 21 HD2 LYS 21 26.629 20.781 40.336 151 HD3 LYS 21 HD3 LYS 21 25.944 20.091 38.914 152 HE2 LYS 21 HE2 LYS 21 27.732 18.560 38.594 153 HE3 LYS 21 HE3 LYS 21 28.398 19.149 40.123 154 HZ1 LYS 21 HZ1 LYS 21 25.842 17.675 39.884 155 HZ2 LYS 21 HZ2 LYS 21 27.225 17.230 40.501 156 HZ3 LYS 21 HZ3 LYS 21 26.484 18.424 41.319 157 H GLU 22 H GLU 22 25.425 25.032 36.550 158 HA GLU 22 HA GLU 22 24.632 26.739 38.892 159 HB2 GLU 22 HB2 GLU 22 26.689 27.367 37.532 160 HB3 GLU 22 HB3 GLU 22 25.508 27.760 36.234 161 HG2 GLU 22 HG2 GLU 22 24.462 29.193 38.113 162 HG3 GLU 22 HG3 GLU 22 25.754 28.807 39.108 163 H VAL 23 H VAL 23 24.041 25.761 35.702 164 HA VAL 23 HA VAL 23 21.330 26.628 35.468 165 HB VAL 23 HB VAL 23 23.123 25.720 33.606 166 HG11 VAL 23 HG11 VAL 23 21.564 23.136 33.770 167 HG12 VAL 23 HG12 VAL 23 22.679 23.808 32.504 168 HG13 VAL 23 HG13 VAL 23 23.174 23.542 34.259 169 HG21 VAL 23 HG21 VAL 23 20.886 25.377 32.178 170 HG22 VAL 23 HG22 VAL 23 19.977 25.341 33.742 171 HG23 VAL 23 HG23 VAL 23 20.720 26.832 33.271 172 H VAL 24 H VAL 24 22.658 23.575 36.490 173 HA VAL 24 HA VAL 24 20.050 22.570 36.648 174 HB VAL 24 HB VAL 24 22.215 21.272 36.068 175 HG11 VAL 24 HG11 VAL 24 23.372 21.793 38.179 176 HG12 VAL 24 HG12 VAL 24 22.130 20.723 39.030 177 HG13 VAL 24 HG13 VAL 24 23.245 19.996 37.813 178 HG21 VAL 24 HG21 VAL 24 21.170 19.165 36.626 179 HG22 VAL 24 HG22 VAL 24 20.231 19.885 37.850 180 HG23 VAL 24 HG23 VAL 24 19.904 20.322 36.120 181 H GLU 25 H GLU 25 22.151 24.004 39.146 182 HA GLU 25 HA GLU 25 20.417 23.157 41.394 183 HB2 GLU 25 HB2 GLU 25 22.710 25.140 41.123 184 HB3 GLU 25 HB3 GLU 25 21.776 24.740 42.604 185 HG2 GLU 25 HG2 GLU 25 23.672 22.832 41.152 186 HG3 GLU 25 HG3 GLU 25 23.984 23.749 42.621 187 H GLU 26 H GLU 26 20.681 26.076 39.311 188 HA GLU 26 HA GLU 26 18.596 27.481 40.798 189 HB2 GLU 26 HB2 GLU 26 19.934 27.794 38.021 190 HB3 GLU 26 HB3 GLU 26 18.684 28.882 38.520 191 HG2 GLU 26 HG2 GLU 26 21.249 28.378 40.050 192 HG3 GLU 26 HG3 GLU 26 21.108 29.759 39.026 193 H ALA 27 H ALA 27 18.447 24.975 38.267 194 HA ALA 27 HA ALA 27 15.633 25.427 37.788 195 HB1 ALA 27 HB1 ALA 27 15.893 23.233 36.719 196 HB2 ALA 27 HB2 ALA 27 17.010 24.510 36.086 197 HB3 ALA 27 HB3 ALA 27 17.622 23.279 37.086 198 H GLU 28 H GLU 28 17.617 23.662 40.153 199 HA GLU 28 HA GLU 28 15.410 22.166 41.214 200 HB2 GLU 28 HB2 GLU 28 17.836 21.610 41.145 201 HB3 GLU 28 HB3 GLU 28 17.984 22.808 42.476 202 HG2 GLU 28 HG2 GLU 28 16.444 21.165 43.797 203 HG3 GLU 28 HG3 GLU 28 16.550 20.058 42.454 204 H ASN 29 H ASN 29 16.392 25.498 41.737 205 HA ASN 29 HA ASN 29 15.914 25.431 44.640 206 HB2 ASN 29 HB2 ASN 29 17.925 26.364 43.768 207 HB3 ASN 29 HB3 ASN 29 17.053 27.595 42.756 208 HD21 ASN 29 HD22 ASN 29 18.641 29.059 43.819 209 HD22 ASN 29 HD21 ASN 29 18.061 29.798 45.231 Start of MODEL 3 1 H1 ACE 1 HH32 ACE 1 41.084 16.364 14.603 2 H2 ACE 1 HH33 ACE 1 41.412 17.783 13.561 3 H3 ACE 1 HH31 ACE 1 41.598 17.918 15.297 4 H SER 2 H SER 2 39.018 15.942 15.062 5 HA SER 2 HA SER 2 36.876 17.356 14.008 6 HB2 SER 2 HB2 SER 2 36.388 15.433 16.301 7 HB3 SER 2 HB3 SER 2 35.446 15.958 14.842 8 HG SER 2 HG SER 2 36.593 13.920 15.050 9 H ASP 3 H ASP 3 37.932 17.440 17.468 10 HA ASP 3 HA ASP 3 36.226 19.383 18.427 11 HB2 ASP 3 HB2 ASP 3 37.925 17.957 19.797 12 HB3 ASP 3 HB3 ASP 3 39.091 19.149 19.388 13 H ALA 4 H ALA 4 38.265 20.153 15.854 14 HA ALA 4 HA ALA 4 38.495 23.109 16.346 15 HB1 ALA 4 HB1 ALA 4 40.025 21.882 14.640 16 HB2 ALA 4 HB2 ALA 4 38.557 21.200 13.948 17 HB3 ALA 4 HB3 ALA 4 38.892 22.989 13.943 18 H ALA 5 H ALA 5 36.237 20.923 14.982 19 HA ALA 5 HA ALA 5 34.444 23.004 14.027 20 HB1 ALA 5 HB1 ALA 5 33.839 20.084 14.603 21 HB2 ALA 5 HB2 ALA 5 32.853 21.114 13.562 22 HB3 ALA 5 HB3 ALA 5 34.401 20.800 12.931 23 H VAL 6 H VAL 6 34.782 21.476 16.984 24 HA VAL 6 HA VAL 6 32.428 22.701 18.101 25 HB VAL 6 HB VAL 6 34.260 20.678 19.446 26 HG11 VAL 6 HG11 VAL 6 32.276 20.124 20.789 27 HG12 VAL 6 HG12 VAL 6 32.600 21.901 20.904 28 HG13 VAL 6 HG13 VAL 6 31.272 21.267 19.913 29 HG21 VAL 6 HG21 VAL 6 31.698 20.225 17.886 30 HG22 VAL 6 HG22 VAL 6 33.333 19.683 17.469 31 HG23 VAL 6 HG23 VAL 6 32.568 18.965 18.844 32 H ASP 7 H ASP 7 35.354 23.749 17.465 33 HA ASP 7 HA ASP 7 36.850 25.374 18.074 34 HB2 ASP 7 HB2 ASP 7 34.887 26.675 18.194 35 HB3 ASP 7 HB3 ASP 7 34.607 26.388 19.886 36 H THR 8 H THR 8 37.620 23.248 19.295 37 HA THR 8 HA THR 8 38.907 22.376 20.915 38 HB THR 8 HB THR 8 39.864 25.169 21.627 39 HG1 THR 8 HG1 THR 8 40.181 25.066 19.546 40 HG21 THR 8 HG21 THR 8 40.737 23.787 23.130 41 HG22 THR 8 HG22 THR 8 41.044 22.482 21.936 42 HG23 THR 8 HG23 THR 8 42.036 24.034 21.879 43 H SER 9 H SER 9 36.376 22.227 21.671 44 HA SER 9 HA SER 9 35.642 23.238 24.286 45 HB2 SER 9 HB2 SER 9 33.774 21.814 24.009 46 HB3 SER 9 HB3 SER 9 34.266 22.187 22.319 47 HG SER 9 HG SER 9 35.067 20.120 22.146 48 H SER 10 H SER 10 37.696 20.643 23.305 49 HA SER 10 HA SER 10 37.427 19.113 25.783 50 HB2 SER 10 HB2 SER 10 39.872 19.049 23.925 51 HB3 SER 10 HB3 SER 10 39.321 17.880 25.184 52 HG SER 10 HG SER 10 38.179 18.795 22.759 53 H GLU 11 H GLU 11 39.057 22.170 25.260 54 HA GLU 11 HA GLU 11 40.864 21.764 27.654 55 HB2 GLU 11 HB2 GLU 11 40.816 23.775 25.485 56 HB3 GLU 11 HB3 GLU 11 41.400 24.230 27.105 57 HG2 GLU 11 HG2 GLU 11 42.882 22.169 27.010 58 HG3 GLU 11 HG3 GLU 11 42.759 22.136 25.336 59 H ILE 12 H ILE 12 37.932 23.470 26.480 60 HA ILE 12 HA ILE 12 37.847 24.997 29.028 61 HB ILE 12 HB ILE 12 35.997 26.246 28.188 62 HG12 ILE 12 HG12 ILE 12 36.373 24.813 25.440 63 HG13 ILE 12 HG13 ILE 12 35.441 23.907 26.623 64 HG21 ILE 12 HG21 ILE 12 38.281 26.189 26.193 65 HG22 ILE 12 HG22 ILE 12 37.044 27.453 26.157 66 HG23 ILE 12 HG23 ILE 12 38.034 27.271 27.593 67 HD11 ILE 12 HD11 ILE 12 33.845 25.367 25.357 68 HD12 ILE 12 HD12 ILE 12 33.841 25.668 27.050 69 HD13 ILE 12 HD13 ILE 12 34.770 26.740 25.993 70 H THR 13 H THR 13 36.396 22.159 27.921 71 HA THR 13 HA THR 13 33.904 22.098 28.749 72 HB THR 13 HB THR 13 35.053 20.332 27.759 73 HG1 THR 13 HG1 THR 13 33.287 19.673 29.066 74 HG21 THR 13 HG21 THR 13 36.565 18.800 28.729 75 HG22 THR 13 HG22 THR 13 37.224 20.489 28.631 76 HG23 THR 13 HG23 THR 13 36.770 19.937 30.168 77 H THR 14 H THR 14 36.466 22.186 31.325 78 HA THR 14 HA THR 14 34.875 21.144 33.385 79 HB THR 14 HB THR 14 36.818 23.386 33.503 80 HG1 THR 14 HG1 THR 14 37.972 21.796 33.021 81 HG21 THR 14 HG21 THR 14 35.506 23.506 35.407 82 HG22 THR 14 HG22 THR 14 35.650 21.697 35.584 83 HG23 THR 14 HG23 THR 14 37.047 22.736 35.949 84 H LYS 15 H LYS 15 35.248 24.463 32.051 85 HA LYS 15 HA LYS 15 33.535 26.071 33.740 86 HB2 LYS 15 HB2 LYS 15 34.374 26.466 30.802 87 HB3 LYS 15 HB3 LYS 15 33.715 27.705 31.869 88 HG2 LYS 15 HG2 LYS 15 35.644 27.601 33.389 89 HG3 LYS 15 HG3 LYS 15 36.338 26.261 32.501 90 HD2 LYS 15 HD2 LYS 15 36.622 27.881 30.566 91 HD3 LYS 15 HD3 LYS 15 35.938 29.192 31.415 92 HE2 LYS 15 HE2 LYS 15 37.403 29.562 32.883 93 HE3 LYS 15 HE3 LYS 15 37.939 27.879 33.032 94 HZ1 LYS 15 HZ1 LYS 15 38.767 29.880 31.025 95 HZ2 LYS 15 HZ2 LYS 15 39.740 28.951 31.970 96 HZ3 LYS 15 HZ3 LYS 15 39.052 28.219 30.780 97 H ASP 16 H ASP 16 32.931 24.481 30.621 98 HA ASP 16 HA ASP 16 30.110 24.883 30.466 99 HB2 ASP 16 HB2 ASP 16 31.585 23.992 28.697 100 HB3 ASP 16 HB3 ASP 16 31.655 22.534 29.546 101 H LEU 17 H LEU 17 31.775 22.565 32.639 102 HA LEU 17 HA LEU 17 29.359 21.006 33.006 103 HB2 LEU 17 HB2 LEU 17 32.238 20.485 33.979 104 HB3 LEU 17 HB3 LEU 17 30.881 19.473 34.456 105 HG LEU 17 HG LEU 17 31.309 20.030 31.506 106 HD11 LEU 17 HD11 LEU 17 33.351 19.061 32.252 107 HD12 LEU 17 HD12 LEU 17 32.481 17.809 33.070 108 HD13 LEU 17 HD13 LEU 17 32.397 18.112 31.219 109 HD21 LEU 17 HD21 LEU 17 29.835 17.584 32.761 110 HD22 LEU 17 HD22 LEU 17 29.074 19.092 32.395 111 HD23 LEU 17 HD23 LEU 17 29.992 18.111 31.158 112 H LYS 18 H LYS 18 31.462 23.256 34.707 113 HA LYS 18 HA LYS 18 29.676 23.347 37.004 114 HB2 LYS 18 HB2 LYS 18 32.203 25.107 36.138 115 HB3 LYS 18 HB3 LYS 18 31.110 25.753 37.184 116 HG2 LYS 18 HG2 LYS 18 32.263 24.612 38.798 117 HG3 LYS 18 HG3 LYS 18 31.298 23.282 38.356 118 HD2 LYS 18 HD2 LYS 18 33.019 22.481 36.794 119 HD3 LYS 18 HD3 LYS 18 33.998 23.955 37.196 120 HE2 LYS 18 HE2 LYS 18 33.313 21.894 39.172 121 HE3 LYS 18 HE3 LYS 18 34.702 21.836 38.080 122 HZ1 LYS 18 HZ1 LYS 18 35.535 23.845 39.225 123 HZ2 LYS 18 HZ2 LYS 18 34.203 24.074 40.093 124 HZ3 LYS 18 HZ3 LYS 18 35.081 22.882 40.416 125 H GLU 19 H GLU 19 29.460 24.836 33.822 126 HA GLU 19 HA GLU 19 27.237 26.538 34.651 127 HB2 GLU 19 HB2 GLU 19 28.558 26.169 32.203 128 HB3 GLU 19 HB3 GLU 19 27.357 25.013 32.016 129 HG2 GLU 19 HG2 GLU 19 25.645 26.749 32.333 130 HG3 GLU 19 HG3 GLU 19 26.853 27.937 32.676 131 H LYS 20 H LYS 20 27.476 23.280 33.229 132 HA LYS 20 HA LYS 20 24.755 22.468 33.382 133 HB2 LYS 20 HB2 LYS 20 27.058 20.562 33.861 134 HB3 LYS 20 HB3 LYS 20 25.495 20.166 33.546 135 HG2 LYS 20 HG2 LYS 20 27.447 21.116 31.541 136 HG3 LYS 20 HG3 LYS 20 26.230 19.774 31.551 137 HD2 LYS 20 HD2 LYS 20 24.550 21.745 31.192 138 HD3 LYS 20 HD3 LYS 20 25.880 22.705 30.862 139 HE2 LYS 20 HE2 LYS 20 25.762 20.115 29.299 140 HE3 LYS 20 HE3 LYS 20 24.608 21.360 28.969 141 HZ1 LYS 20 HZ1 LYS 20 26.504 21.765 27.565 142 HZ2 LYS 20 HZ2 LYS 20 26.637 22.841 28.788 143 HZ3 LYS 20 HZ3 LYS 20 27.499 21.518 28.884 144 H LYS 21 H LYS 21 26.926 22.495 35.992 145 HA LYS 21 HA LYS 21 25.208 21.416 38.051 146 HB2 LYS 21 HB2 LYS 21 27.882 22.846 38.131 147 HB3 LYS 21 HB3 LYS 21 27.001 22.454 39.505 148 HG2 LYS 21 HG2 LYS 21 26.877 20.031 38.966 149 HG3 LYS 21 HG3 LYS 21 27.768 20.237 37.385 150 HD2 LYS 21 HD2 LYS 21 29.575 21.239 38.406 151 HD3 LYS 21 HD3 LYS 21 28.867 20.894 40.061 152 HE2 LYS 21 HE2 LYS 21 29.973 18.975 37.946 153 HE3 LYS 21 HE3 LYS 21 30.699 19.484 39.259 154 HZ1 LYS 21 HZ1 LYS 21 28.296 17.665 39.350 155 HZ2 LYS 21 HZ2 LYS 21 29.733 17.296 39.835 156 HZ3 LYS 21 HZ3 LYS 21 28.919 18.385 40.704 157 H GLU 22 H GLU 22 25.473 24.558 36.523 158 HA GLU 22 HA GLU 22 24.602 25.941 39.056 159 HB2 GLU 22 HB2 GLU 22 26.471 27.003 38.125 160 HB3 GLU 22 HB3 GLU 22 25.621 27.187 36.488 161 HG2 GLU 22 HG2 GLU 22 24.030 28.641 37.635 162 HG3 GLU 22 HG3 GLU 22 24.814 28.593 39.107 163 H VAL 23 H VAL 23 23.966 25.716 35.589 164 HA VAL 23 HA VAL 23 21.188 26.413 35.487 165 HB VAL 23 HB VAL 23 23.178 25.796 33.693 166 HG11 VAL 23 HG11 VAL 23 22.924 23.812 32.463 167 HG12 VAL 23 HG12 VAL 23 23.171 23.401 34.266 168 HG13 VAL 23 HG13 VAL 23 21.609 23.311 33.573 169 HG21 VAL 23 HG21 VAL 23 21.107 26.912 33.077 170 HG22 VAL 23 HG22 VAL 23 21.329 25.591 31.964 171 HG23 VAL 23 HG23 VAL 23 20.220 25.299 33.339 172 H VAL 24 H VAL 24 22.672 23.203 36.339 173 HA VAL 24 HA VAL 24 19.838 22.302 36.645 174 HB VAL 24 HB VAL 24 21.664 20.909 35.732 175 HG11 VAL 24 HG11 VAL 24 23.132 19.641 37.388 176 HG12 VAL 24 HG12 VAL 24 23.008 21.190 38.314 177 HG13 VAL 24 HG13 VAL 24 21.941 19.890 38.696 178 HG21 VAL 24 HG21 VAL 24 20.755 18.839 36.387 179 HG22 VAL 24 HG22 VAL 24 19.868 19.616 37.710 180 HG23 VAL 24 HG23 VAL 24 19.520 20.036 36.138 181 H GLU 25 H GLU 25 21.972 23.533 38.866 182 HA GLU 25 HA GLU 25 20.286 22.800 41.225 183 HB2 GLU 25 HB2 GLU 25 22.681 24.632 40.972 184 HB3 GLU 25 HB3 GLU 25 21.872 24.312 42.544 185 HG2 GLU 25 HG2 GLU 25 23.069 21.949 40.952 186 HG3 GLU 25 HG3 GLU 25 23.863 22.834 42.248 187 H GLU 26 H GLU 26 20.701 25.586 39.123 188 HA GLU 26 HA GLU 26 18.806 27.474 40.389 189 HB2 GLU 26 HB2 GLU 26 19.874 27.469 37.612 190 HB3 GLU 26 HB3 GLU 26 18.765 28.644 38.431 191 HG2 GLU 26 HG2 GLU 26 21.468 27.994 39.495 192 HG3 GLU 26 HG3 GLU 26 21.171 29.358 38.419 193 H ALA 27 H ALA 27 18.475 24.757 38.212 194 HA ALA 27 HA ALA 27 15.633 25.288 37.633 195 HB1 ALA 27 HB1 ALA 27 16.818 22.579 37.825 196 HB2 ALA 27 HB2 ALA 27 15.407 22.971 36.820 197 HB3 ALA 27 HB3 ALA 27 17.063 23.585 36.457 198 H GLU 28 H GLU 28 17.427 23.951 40.323 199 HA GLU 28 HA GLU 28 14.985 23.287 41.932 200 HB2 GLU 28 HB2 GLU 28 17.976 22.942 42.496 201 HB3 GLU 28 HB3 GLU 28 16.761 22.391 43.545 202 HG2 GLU 28 HG2 GLU 28 16.938 21.446 40.680 203 HG3 GLU 28 HG3 GLU 28 17.787 20.610 42.057 204 H ASN 29 H ASN 29 17.196 25.955 41.785 205 HA ASN 29 HA ASN 29 16.958 26.869 44.453 206 HB2 ASN 29 HB2 ASN 29 18.574 27.689 42.711 207 HB3 ASN 29 HB3 ASN 29 17.148 28.471 41.988 208 HD21 ASN 29 HD22 ASN 29 19.500 29.760 42.727 209 HD22 ASN 29 HD21 ASN 29 19.271 30.691 44.173 Start of MODEL 4 1 H1 ACE 1 HH32 ACE 1 35.786 8.176 20.777 2 H2 ACE 1 HH33 ACE 1 37.209 8.485 19.727 3 H3 ACE 1 HH31 ACE 1 36.611 9.778 20.757 4 H SER 2 H SER 2 34.425 10.713 20.497 5 HA SER 2 HA SER 2 33.908 11.214 17.634 6 HB2 SER 2 HB2 SER 2 32.110 11.010 19.980 7 HB3 SER 2 HB3 SER 2 31.492 11.272 18.334 8 HG SER 2 HG SER 2 31.226 9.225 18.641 9 H ASP 3 H ASP 3 35.626 12.658 19.884 10 HA ASP 3 HA ASP 3 34.085 15.055 20.404 11 HB2 ASP 3 HB2 ASP 3 35.195 13.678 22.191 12 HB3 ASP 3 HB3 ASP 3 36.693 14.012 21.392 13 H ALA 4 H ALA 4 36.644 14.053 18.186 14 HA ALA 4 HA ALA 4 37.638 16.747 17.788 15 HB1 ALA 4 HB1 ALA 4 38.639 15.837 15.667 16 HB2 ALA 4 HB2 ALA 4 39.158 15.015 17.119 17 HB3 ALA 4 HB3 ALA 4 37.990 14.360 15.990 18 H ALA 5 H ALA 5 34.942 14.906 16.627 19 HA ALA 5 HA ALA 5 33.924 16.775 14.622 20 HB1 ALA 5 HB1 ALA 5 32.460 14.493 16.121 21 HB2 ALA 5 HB2 ALA 5 31.763 15.480 14.764 22 HB3 ALA 5 HB3 ALA 5 33.087 14.535 14.448 23 H VAL 6 H VAL 6 33.974 16.742 18.037 24 HA VAL 6 HA VAL 6 32.014 18.966 18.007 25 HB VAL 6 HB VAL 6 32.929 17.547 20.430 26 HG11 VAL 6 HG11 VAL 6 31.024 18.558 21.721 27 HG12 VAL 6 HG12 VAL 6 31.787 19.961 20.998 28 HG13 VAL 6 HG13 VAL 6 30.299 19.219 20.314 29 HG21 VAL 6 HG21 VAL 6 30.433 16.614 20.311 30 HG22 VAL 6 HG22 VAL 6 30.401 17.172 18.647 31 HG23 VAL 6 HG23 VAL 6 31.604 16.011 19.173 32 H ASP 7 H ASP 7 34.897 18.871 17.405 33 HA ASP 7 HA ASP 7 36.698 19.839 17.349 34 HB2 ASP 7 HB2 ASP 7 35.402 21.883 16.782 35 HB3 ASP 7 HB3 ASP 7 35.675 22.433 18.309 36 H THR 8 H THR 8 36.542 18.350 19.615 37 HA THR 8 HA THR 8 37.752 17.686 21.322 38 HB THR 8 HB THR 8 39.734 20.032 21.238 39 HG1 THR 8 HG1 THR 8 38.999 18.829 19.179 40 HG21 THR 8 HG21 THR 8 40.883 17.339 21.394 41 HG22 THR 8 HG22 THR 8 40.952 18.799 22.513 42 HG23 THR 8 HG23 THR 8 39.696 17.633 22.638 43 H SER 9 H SER 9 35.626 18.776 21.938 44 HA SER 9 HA SER 9 35.533 20.935 23.716 45 HB2 SER 9 HB2 SER 9 33.363 20.209 24.541 46 HB3 SER 9 HB3 SER 9 33.356 20.222 22.782 47 HG SER 9 HG SER 9 33.892 17.801 23.001 48 H SER 10 H SER 10 36.444 17.566 24.213 49 HA SER 10 HA SER 10 36.680 17.578 27.103 50 HB2 SER 10 HB2 SER 10 38.559 16.124 25.259 51 HB3 SER 10 HB3 SER 10 38.384 15.909 27.048 52 HG SER 10 HG SER 10 36.869 14.956 24.888 53 H GLU 11 H GLU 11 38.819 19.541 25.139 54 HA GLU 11 HA GLU 11 40.378 19.987 27.508 55 HB2 GLU 11 HB2 GLU 11 39.948 21.977 25.281 56 HB3 GLU 11 HB3 GLU 11 41.182 22.031 26.572 57 HG2 GLU 11 HG2 GLU 11 42.148 19.964 25.700 58 HG3 GLU 11 HG3 GLU 11 40.963 19.951 24.398 59 H ILE 12 H ILE 12 37.514 21.629 26.279 60 HA ILE 12 HA ILE 12 37.456 23.765 28.345 61 HB ILE 12 HB ILE 12 35.606 24.841 27.141 62 HG12 ILE 12 HG12 ILE 12 35.657 22.788 24.796 63 HG13 ILE 12 HG13 ILE 12 34.632 22.484 26.195 64 HG21 ILE 12 HG21 ILE 12 37.898 25.323 26.521 65 HG22 ILE 12 HG22 ILE 12 37.831 23.933 25.373 66 HG23 ILE 12 HG23 ILE 12 37.000 25.514 25.119 67 HD11 ILE 12 HD11 ILE 12 34.577 24.989 24.668 68 HD12 ILE 12 HD12 ILE 12 33.491 23.615 24.385 69 HD13 ILE 12 HD13 ILE 12 33.493 24.485 26.015 70 H THR 13 H THR 13 35.865 20.623 28.059 71 HA THR 13 HA THR 13 33.375 21.122 29.151 72 HB THR 13 HB THR 13 34.410 19.048 28.266 73 HG1 THR 13 HG1 THR 13 33.511 17.590 29.536 74 HG21 THR 13 HG21 THR 13 35.952 17.704 29.572 75 HG22 THR 13 HG22 THR 13 36.596 19.421 29.641 76 HG23 THR 13 HG23 THR 13 35.638 18.882 30.940 77 H THR 14 H THR 14 36.265 21.181 31.098 78 HA THR 14 HA THR 14 34.717 21.198 33.553 79 HB THR 14 HB THR 14 37.373 22.754 33.146 80 HG1 THR 14 HG1 THR 14 37.606 20.652 32.679 81 HG21 THR 14 HG21 THR 14 36.280 21.454 35.678 82 HG22 THR 14 HG22 THR 14 37.396 22.819 35.567 83 HG23 THR 14 HG23 THR 14 35.779 23.125 35.215 84 H LYS 15 H LYS 15 35.164 23.799 31.186 85 HA LYS 15 HA LYS 15 34.124 25.908 32.945 86 HB2 LYS 15 HB2 LYS 15 34.270 25.904 29.868 87 HB3 LYS 15 HB3 LYS 15 34.184 27.286 31.033 88 HG2 LYS 15 HG2 LYS 15 36.485 26.890 31.635 89 HG3 LYS 15 HG3 LYS 15 36.587 25.417 30.654 90 HD2 LYS 15 HD2 LYS 15 36.095 26.670 28.600 91 HD3 LYS 15 HD3 LYS 15 36.019 28.150 29.619 92 HE2 LYS 15 HE2 LYS 15 38.269 27.885 30.432 93 HE3 LYS 15 HE3 LYS 15 38.586 26.572 29.342 94 HZ1 LYS 15 HZ1 LYS 15 38.055 28.248 27.496 95 HZ2 LYS 15 HZ2 LYS 15 37.815 29.285 28.594 96 HZ3 LYS 15 HZ3 LYS 15 39.332 28.737 28.446 97 H ASP 16 H ASP 16 32.971 23.969 30.408 98 HA ASP 16 HA ASP 16 30.142 24.551 30.485 99 HB2 ASP 16 HB2 ASP 16 31.583 23.392 28.570 100 HB3 ASP 16 HB3 ASP 16 31.474 21.910 29.575 101 H LEU 17 H LEU 17 31.990 22.194 32.576 102 HA LEU 17 HA LEU 17 29.359 21.207 33.304 103 HB2 LEU 17 HB2 LEU 17 31.972 20.505 34.372 104 HB3 LEU 17 HB3 LEU 17 30.565 19.772 34.794 105 HG LEU 17 HG LEU 17 31.444 19.857 31.975 106 HD11 LEU 17 HD11 LEU 17 31.862 17.353 33.950 107 HD12 LEU 17 HD12 LEU 17 32.632 17.617 32.463 108 HD13 LEU 17 HD13 LEU 17 33.102 18.573 33.736 109 HD21 LEU 17 HD21 LEU 17 29.270 19.360 31.943 110 HD22 LEU 17 HD22 LEU 17 30.023 17.762 31.639 111 HD23 LEU 17 HD23 LEU 17 29.279 18.280 33.233 112 H LYS 18 H LYS 18 31.545 23.766 34.643 113 HA LYS 18 HA LYS 18 29.920 23.986 37.053 114 HB2 LYS 18 HB2 LYS 18 31.744 25.778 35.531 115 HB3 LYS 18 HB3 LYS 18 30.876 26.306 36.972 116 HG2 LYS 18 HG2 LYS 18 33.188 25.669 37.557 117 HG3 LYS 18 HG3 LYS 18 31.873 25.074 38.555 118 HD2 LYS 18 HD2 LYS 18 32.266 22.809 37.553 119 HD3 LYS 18 HD3 LYS 18 33.303 23.472 36.306 120 HE2 LYS 18 HE2 LYS 18 34.499 22.219 37.761 121 HE3 LYS 18 HE3 LYS 18 35.011 23.997 37.880 122 HZ1 LYS 18 HZ1 LYS 18 33.809 24.314 39.806 123 HZ2 LYS 18 HZ2 LYS 18 33.494 22.724 40.111 124 HZ3 LYS 18 HZ3 LYS 18 34.997 23.249 40.110 125 H GLU 19 H GLU 19 29.589 25.191 33.708 126 HA GLU 19 HA GLU 19 27.245 26.755 34.294 127 HB2 GLU 19 HB2 GLU 19 28.713 26.666 32.038 128 HB3 GLU 19 HB3 GLU 19 27.776 25.097 31.782 129 HG2 GLU 19 HG2 GLU 19 25.781 26.672 32.050 130 HG3 GLU 19 HG3 GLU 19 26.913 27.928 31.855 131 H LYS 20 H LYS 20 27.667 23.286 33.365 132 HA LYS 20 HA LYS 20 24.719 22.759 33.550 133 HB2 LYS 20 HB2 LYS 20 26.960 20.792 33.804 134 HB3 LYS 20 HB3 LYS 20 25.315 20.397 33.609 135 HG2 LYS 20 HG2 LYS 20 27.080 21.696 31.517 136 HG3 LYS 20 HG3 LYS 20 26.119 20.220 31.371 137 HD2 LYS 20 HD2 LYS 20 23.992 21.667 31.290 138 HD3 LYS 20 HD3 LYS 20 25.083 23.073 31.318 139 HE2 LYS 20 HE2 LYS 20 25.463 20.915 29.181 140 HE3 LYS 20 HE3 LYS 20 24.349 22.234 29.003 141 HZ1 LYS 20 HZ1 LYS 20 26.270 23.654 29.589 142 HZ2 LYS 20 HZ2 LYS 20 27.231 22.346 29.162 143 HZ3 LYS 20 HZ3 LYS 20 26.119 23.092 28.127 144 H LYS 21 H LYS 21 26.966 23.260 35.999 145 HA LYS 21 HA LYS 21 25.347 21.675 37.940 146 HB2 LYS 21 HB2 LYS 21 28.161 22.989 38.239 147 HB3 LYS 21 HB3 LYS 21 27.225 22.389 39.584 148 HG2 LYS 21 HG2 LYS 21 27.455 20.060 38.721 149 HG3 LYS 21 HG3 LYS 21 27.872 20.671 37.138 150 HD2 LYS 21 HD2 LYS 21 29.911 21.778 38.031 151 HD3 LYS 21 HD3 LYS 21 29.753 21.217 39.593 152 HE2 LYS 21 HE2 LYS 21 29.759 19.498 37.134 153 HE3 LYS 21 HE3 LYS 21 31.272 19.971 37.974 154 HZ1 LYS 21 HZ1 LYS 21 30.783 17.874 38.819 155 HZ2 LYS 21 HZ2 LYS 21 30.107 18.855 39.983 156 HZ3 LYS 21 HZ3 LYS 21 29.218 18.118 38.904 157 H GLU 22 H GLU 22 25.615 24.885 36.776 158 HA GLU 22 HA GLU 22 24.660 26.183 39.404 159 HB2 GLU 22 HB2 GLU 22 26.757 26.972 38.412 160 HB3 GLU 22 HB3 GLU 22 25.968 27.073 36.863 161 HG2 GLU 22 HG2 GLU 22 26.016 29.354 37.883 162 HG3 GLU 22 HG3 GLU 22 24.389 28.821 38.066 163 H VAL 23 H VAL 23 24.297 26.056 35.953 164 HA VAL 23 HA VAL 23 21.482 26.976 35.783 165 HB VAL 23 HB VAL 23 23.464 26.112 34.014 166 HG11 VAL 23 HG11 VAL 23 23.456 23.990 34.410 167 HG12 VAL 23 HG12 VAL 23 21.675 23.778 33.970 168 HG13 VAL 23 HG13 VAL 23 22.933 24.218 32.763 169 HG21 VAL 23 HG21 VAL 23 20.597 26.074 33.461 170 HG22 VAL 23 HG22 VAL 23 21.481 27.539 33.334 171 HG23 VAL 23 HG23 VAL 23 21.740 26.178 32.071 172 H VAL 24 H VAL 24 22.754 23.862 36.686 173 HA VAL 24 HA VAL 24 19.927 22.953 36.710 174 HB VAL 24 HB VAL 24 21.877 21.547 35.820 175 HG11 VAL 24 HG11 VAL 24 22.589 19.945 37.313 176 HG12 VAL 24 HG12 VAL 24 23.227 21.444 37.933 177 HG13 VAL 24 HG13 VAL 24 21.982 20.695 38.823 178 HG21 VAL 24 HG21 VAL 24 19.607 20.280 37.384 179 HG22 VAL 24 HG22 VAL 24 19.652 20.834 35.702 180 HG23 VAL 24 HG23 VAL 24 20.790 19.558 36.191 181 H GLU 25 H GLU 25 22.020 23.884 39.137 182 HA GLU 25 HA GLU 25 20.289 23.147 41.248 183 HB2 GLU 25 HB2 GLU 25 22.559 23.483 41.946 184 HB3 GLU 25 HB3 GLU 25 22.771 25.015 41.212 185 HG2 GLU 25 HG2 GLU 25 21.176 26.046 42.668 186 HG3 GLU 25 HG3 GLU 25 20.831 24.393 43.363 187 H GLU 26 H GLU 26 20.772 26.005 39.258 188 HA GLU 26 HA GLU 26 18.751 27.741 40.540 189 HB2 GLU 26 HB2 GLU 26 20.664 28.221 38.756 190 HB3 GLU 26 HB3 GLU 26 19.375 28.057 37.645 191 HG2 GLU 26 HG2 GLU 26 18.132 29.890 38.697 192 HG3 GLU 26 HG3 GLU 26 19.481 29.990 39.870 193 H ALA 27 H ALA 27 18.380 25.089 38.349 194 HA ALA 27 HA ALA 27 15.497 25.725 38.048 195 HB1 ALA 27 HB1 ALA 27 17.061 23.305 37.074 196 HB2 ALA 27 HB2 ALA 27 15.390 23.848 36.438 197 HB3 ALA 27 HB3 ALA 27 16.840 24.624 35.994 198 H GLU 28 H GLU 28 17.461 23.888 40.180 199 HA GLU 28 HA GLU 28 15.485 21.959 40.910 200 HB2 GLU 28 HB2 GLU 28 18.177 22.827 41.979 201 HB3 GLU 28 HB3 GLU 28 17.198 21.580 42.824 202 HG2 GLU 28 HG2 GLU 28 17.818 21.026 39.883 203 HG3 GLU 28 HG3 GLU 28 18.817 20.470 41.305 204 H ASN 29 H ASN 29 16.768 24.814 42.307 205 HA ASN 29 HA ASN 29 15.596 25.118 44.756 206 HB2 ASN 29 HB2 ASN 29 17.618 26.313 43.781 207 HB3 ASN 29 HB3 ASN 29 16.567 27.302 42.742 208 HD21 ASN 29 HD22 ASN 29 17.253 26.838 46.177 209 HD22 ASN 29 HD21 ASN 29 17.182 28.521 46.516 Start of MODEL 5 1 H1 ACE 1 HH32 ACE 1 39.753 17.864 13.253 2 H2 ACE 1 HH33 ACE 1 39.769 17.290 14.869 3 H3 ACE 1 HH31 ACE 1 39.143 16.202 13.697 4 H SER 2 H SER 2 37.357 16.067 14.992 5 HA SER 2 HA SER 2 35.133 17.527 13.826 6 HB2 SER 2 HB2 SER 2 35.196 15.261 15.748 7 HB3 SER 2 HB3 SER 2 33.732 16.151 15.094 8 HG SER 2 HG SER 2 34.617 14.119 14.152 9 H ASP 3 H ASP 3 36.975 17.864 16.729 10 HA ASP 3 HA ASP 3 35.173 19.393 18.088 11 HB2 ASP 3 HB2 ASP 3 37.227 18.050 18.939 12 HB3 ASP 3 HB3 ASP 3 38.234 19.376 18.469 13 H ALA 4 H ALA 4 37.007 20.308 15.237 14 HA ALA 4 HA ALA 4 37.469 23.094 15.879 15 HB1 ALA 4 HB1 ALA 4 38.884 21.901 14.384 16 HB2 ALA 4 HB2 ALA 4 37.384 21.605 13.421 17 HB3 ALA 4 HB3 ALA 4 38.042 23.256 13.542 18 H ALA 5 H ALA 5 34.757 21.405 14.269 19 HA ALA 5 HA ALA 5 33.305 23.914 13.794 20 HB1 ALA 5 HB1 ALA 5 32.326 21.102 13.877 21 HB2 ALA 5 HB2 ALA 5 31.481 22.435 13.138 22 HB3 ALA 5 HB3 ALA 5 32.931 21.894 12.358 23 H VAL 6 H VAL 6 34.209 22.630 16.540 24 HA VAL 6 HA VAL 6 32.100 23.956 18.164 25 HB VAL 6 HB VAL 6 33.742 21.934 19.401 26 HG11 VAL 6 HG11 VAL 6 31.809 22.006 21.080 27 HG12 VAL 6 HG12 VAL 6 31.865 23.668 20.583 28 HG13 VAL 6 HG13 VAL 6 30.769 22.580 19.798 29 HG21 VAL 6 HG21 VAL 6 31.246 21.311 18.065 30 HG22 VAL 6 HG22 VAL 6 32.900 20.606 17.519 31 HG23 VAL 6 HG23 VAL 6 32.126 20.052 18.936 32 H ASP 7 H ASP 7 34.999 24.525 17.106 33 HA ASP 7 HA ASP 7 36.908 25.348 17.743 34 HB2 ASP 7 HB2 ASP 7 35.125 27.350 17.979 35 HB3 ASP 7 HB3 ASP 7 35.292 27.247 19.657 36 H THR 8 H THR 8 37.201 23.201 18.809 37 HA THR 8 HA THR 8 38.329 21.983 20.414 38 HB THR 8 HB THR 8 39.683 24.642 20.956 39 HG1 THR 8 HG1 THR 8 39.685 24.014 18.755 40 HG21 THR 8 HG21 THR 8 40.760 23.267 22.470 41 HG22 THR 8 HG22 THR 8 40.233 21.747 21.680 42 HG23 THR 8 HG23 THR 8 41.652 22.742 21.074 43 H SER 9 H SER 9 35.948 22.251 21.124 44 HA SER 9 HA SER 9 35.498 23.299 23.683 45 HB2 SER 9 HB2 SER 9 33.367 21.940 23.700 46 HB3 SER 9 HB3 SER 9 33.780 22.723 22.198 47 HG SER 9 HG SER 9 34.699 20.591 21.491 48 H SER 10 H SER 10 36.952 20.313 22.836 49 HA SER 10 HA SER 10 36.874 18.866 25.270 50 HB2 SER 10 HB2 SER 10 39.360 19.273 23.470 51 HB3 SER 10 HB3 SER 10 39.154 18.096 24.791 52 HG SER 10 HG SER 10 37.859 18.492 22.360 53 H GLU 11 H GLU 11 38.459 21.941 24.589 54 HA GLU 11 HA GLU 11 39.983 21.909 27.272 55 HB2 GLU 11 HB2 GLU 11 40.237 23.778 24.759 56 HB3 GLU 11 HB3 GLU 11 40.983 23.966 26.309 57 HG2 GLU 11 HG2 GLU 11 42.264 22.033 26.200 58 HG3 GLU 11 HG3 GLU 11 41.546 21.804 24.489 59 H ILE 12 H ILE 12 37.071 23.106 26.185 60 HA ILE 12 HA ILE 12 36.999 24.915 28.515 61 HB ILE 12 HB ILE 12 34.991 25.868 27.746 62 HG12 ILE 12 HG12 ILE 12 34.971 24.732 24.980 63 HG13 ILE 12 HG13 ILE 12 34.158 23.770 26.313 64 HG21 ILE 12 HG21 ILE 12 37.107 25.867 25.509 65 HG22 ILE 12 HG22 ILE 12 35.847 27.106 25.726 66 HG23 ILE 12 HG23 ILE 12 37.135 26.848 26.937 67 HD11 ILE 12 HD11 ILE 12 32.395 25.050 25.449 68 HD12 ILE 12 HD12 ILE 12 32.845 25.816 26.872 69 HD13 ILE 12 HD13 ILE 12 33.339 26.504 25.300 70 H THR 13 H THR 13 35.914 21.985 27.613 71 HA THR 13 HA THR 13 33.569 21.550 28.725 72 HB THR 13 HB THR 13 34.452 20.188 27.461 73 HG1 THR 13 HG1 THR 13 32.938 19.303 28.985 74 HG21 THR 13 HG21 THR 13 36.383 19.141 29.709 75 HG22 THR 13 HG22 THR 13 36.480 18.658 27.941 76 HG23 THR 13 HG23 THR 13 36.915 20.233 28.551 77 H THR 14 H THR 14 36.290 22.052 30.949 78 HA THR 14 HA THR 14 34.581 20.958 33.209 79 HB THR 14 HB THR 14 37.256 22.356 33.381 80 HG1 THR 14 HG1 THR 14 36.388 19.902 32.734 81 HG21 THR 14 HG21 THR 14 35.885 20.618 35.527 82 HG22 THR 14 HG22 THR 14 37.502 21.133 35.480 83 HG23 THR 14 HG23 THR 14 36.172 22.392 35.564 84 H LYS 15 H LYS 15 35.412 23.924 31.729 85 HA LYS 15 HA LYS 15 34.149 25.786 33.507 86 HB2 LYS 15 HB2 LYS 15 34.628 26.449 30.710 87 HB3 LYS 15 HB3 LYS 15 34.721 27.495 32.091 88 HG2 LYS 15 HG2 LYS 15 36.739 26.813 32.751 89 HG3 LYS 15 HG3 LYS 15 36.788 25.322 31.577 90 HD2 LYS 15 HD2 LYS 15 36.411 27.209 29.733 91 HD3 LYS 15 HD3 LYS 15 36.980 28.284 31.046 92 HE2 LYS 15 HE2 LYS 15 39.062 26.778 31.288 93 HE3 LYS 15 HE3 LYS 15 38.567 26.049 29.724 94 HZ1 LYS 15 HZ1 LYS 15 39.301 28.890 30.156 95 HZ2 LYS 15 HZ2 LYS 15 40.030 27.811 29.215 96 HZ3 LYS 15 HZ3 LYS 15 38.510 28.483 28.908 97 H ASP 16 H ASP 16 33.185 24.382 30.443 98 HA ASP 16 HA ASP 16 30.439 25.127 30.502 99 HB2 ASP 16 HB2 ASP 16 31.622 24.008 28.666 100 HB3 ASP 16 HB3 ASP 16 31.637 22.512 29.692 101 H LEU 17 H LEU 17 32.133 22.510 32.574 102 HA LEU 17 HA LEU 17 29.478 21.445 33.005 103 HB2 LEU 17 HB2 LEU 17 32.246 20.508 33.588 104 HB3 LEU 17 HB3 LEU 17 30.777 19.781 34.482 105 HG LEU 17 HG LEU 17 31.023 20.058 31.460 106 HD11 LEU 17 HD11 LEU 17 32.912 18.686 32.012 107 HD12 LEU 17 HD12 LEU 17 32.043 17.780 33.233 108 HD13 LEU 17 HD13 LEU 17 31.680 17.515 31.541 109 HD21 LEU 17 HD21 LEU 17 29.490 17.860 32.902 110 HD22 LEU 17 HD22 LEU 17 28.951 19.472 33.139 111 HD23 LEU 17 HD23 LEU 17 29.060 18.947 31.454 112 H LYS 18 H LYS 18 31.356 23.762 34.485 113 HA LYS 18 HA LYS 18 29.925 23.792 37.123 114 HB2 LYS 18 HB2 LYS 18 32.036 25.462 35.733 115 HB3 LYS 18 HB3 LYS 18 30.987 26.288 36.748 116 HG2 LYS 18 HG2 LYS 18 32.722 25.798 37.862 117 HG3 LYS 18 HG3 LYS 18 31.469 24.630 38.559 118 HD2 LYS 18 HD2 LYS 18 32.449 22.791 36.930 119 HD3 LYS 18 HD3 LYS 18 33.693 23.913 36.652 120 HE2 LYS 18 HE2 LYS 18 32.695 22.754 39.371 121 HE3 LYS 18 HE3 LYS 18 33.990 22.012 38.384 122 HZ1 LYS 18 HZ1 LYS 18 35.341 23.945 38.683 123 HZ2 LYS 18 HZ2 LYS 18 34.215 24.675 39.631 124 HZ3 LYS 18 HZ3 LYS 18 35.040 23.385 40.158 125 H GLU 19 H GLU 19 29.487 25.173 33.925 126 HA GLU 19 HA GLU 19 27.283 26.616 34.663 127 HB2 GLU 19 HB2 GLU 19 28.879 26.403 32.423 128 HB3 GLU 19 HB3 GLU 19 27.628 25.223 32.048 129 HG2 GLU 19 HG2 GLU 19 25.849 27.093 32.356 130 HG3 GLU 19 HG3 GLU 19 27.232 28.143 32.898 131 H LYS 20 H LYS 20 27.635 23.326 33.412 132 HA LYS 20 HA LYS 20 24.902 22.543 33.183 133 HB2 LYS 20 HB2 LYS 20 27.371 20.849 33.617 134 HB3 LYS 20 HB3 LYS 20 25.756 20.291 33.221 135 HG2 LYS 20 HG2 LYS 20 27.547 21.967 31.285 136 HG3 LYS 20 HG3 LYS 20 27.070 20.338 31.281 137 HD2 LYS 20 HD2 LYS 20 24.656 21.180 31.067 138 HD3 LYS 20 HD3 LYS 20 25.232 22.793 30.722 139 HE2 LYS 20 HE2 LYS 20 25.825 20.129 29.294 140 HE3 LYS 20 HE3 LYS 20 24.614 21.232 28.818 141 HZ1 LYS 20 HZ1 LYS 20 26.520 21.467 27.452 142 HZ2 LYS 20 HZ2 LYS 20 26.357 22.833 28.275 143 HZ3 LYS 20 HZ3 LYS 20 27.506 21.903 28.770 144 H LYS 21 H LYS 21 26.812 23.039 35.878 145 HA LYS 21 HA LYS 21 25.233 21.459 37.892 146 HB2 LYS 21 HB2 LYS 21 27.804 22.956 38.169 147 HB3 LYS 21 HB3 LYS 21 26.947 22.262 39.515 148 HG2 LYS 21 HG2 LYS 21 27.069 19.981 38.724 149 HG3 LYS 21 HG3 LYS 21 27.831 20.472 37.192 150 HD2 LYS 21 HD2 LYS 21 29.771 21.109 38.300 151 HD3 LYS 21 HD3 LYS 21 29.234 20.859 39.966 152 HE2 LYS 21 HE2 LYS 21 28.592 18.463 39.199 153 HE3 LYS 21 HE3 LYS 21 29.746 18.673 37.980 154 HZ1 LYS 21 HZ1 LYS 21 30.221 18.869 41.029 155 HZ2 LYS 21 HZ2 LYS 21 30.742 17.838 40.000 156 HZ3 LYS 21 HZ3 LYS 21 31.419 19.274 39.945 157 H GLU 22 H GLU 22 25.514 24.577 36.628 158 HA GLU 22 HA GLU 22 24.491 26.143 39.071 159 HB2 GLU 22 HB2 GLU 22 26.383 27.062 37.752 160 HB3 GLU 22 HB3 GLU 22 25.199 27.121 36.305 161 HG2 GLU 22 HG2 GLU 22 23.975 28.857 37.520 162 HG3 GLU 22 HG3 GLU 22 24.906 28.629 38.984 163 H VAL 23 H VAL 23 23.901 25.605 35.593 164 HA VAL 23 HA VAL 23 21.277 26.477 35.309 165 HB VAL 23 HB VAL 23 22.976 25.673 33.638 166 HG11 VAL 23 HG11 VAL 23 23.036 23.665 32.712 167 HG12 VAL 23 HG12 VAL 23 23.519 23.390 34.297 168 HG13 VAL 23 HG13 VAL 23 21.867 22.944 33.990 169 HG21 VAL 23 HG21 VAL 23 20.798 26.500 32.983 170 HG22 VAL 23 HG22 VAL 23 21.203 25.083 32.036 171 HG23 VAL 23 HG23 VAL 23 20.000 24.883 33.290 172 H VAL 24 H VAL 24 22.669 23.712 36.481 173 HA VAL 24 HA VAL 24 19.979 22.413 36.789 174 HB VAL 24 HB VAL 24 22.194 21.332 36.019 175 HG11 VAL 24 HG11 VAL 24 23.276 19.888 37.717 176 HG12 VAL 24 HG12 VAL 24 23.107 21.492 38.637 177 HG13 VAL 24 HG13 VAL 24 21.944 20.292 38.860 178 HG21 VAL 24 HG21 VAL 24 21.088 19.100 36.329 179 HG22 VAL 24 HG22 VAL 24 19.991 19.922 37.465 180 HG23 VAL 24 HG23 VAL 24 20.041 20.443 35.752 181 H GLU 25 H GLU 25 22.064 23.870 38.997 182 HA GLU 25 HA GLU 25 20.555 22.945 41.379 183 HB2 GLU 25 HB2 GLU 25 22.616 25.046 40.698 184 HB3 GLU 25 HB3 GLU 25 21.860 25.113 42.290 185 HG2 GLU 25 HG2 GLU 25 23.207 22.674 41.263 186 HG3 GLU 25 HG3 GLU 25 23.995 23.856 42.385 187 H GLU 26 H GLU 26 20.721 25.771 39.304 188 HA GLU 26 HA GLU 26 18.747 27.322 40.584 189 HB2 GLU 26 HB2 GLU 26 19.783 27.493 37.720 190 HB3 GLU 26 HB3 GLU 26 18.531 28.581 38.422 191 HG2 GLU 26 HG2 GLU 26 21.295 28.136 39.576 192 HG3 GLU 26 HG3 GLU 26 20.864 29.426 38.516 193 H ALA 27 H ALA 27 18.386 24.593 38.480 194 HA ALA 27 HA ALA 27 15.562 25.146 37.876 195 HB1 ALA 27 HB1 ALA 27 17.150 22.635 37.661 196 HB2 ALA 27 HB2 ALA 27 15.443 22.806 37.363 197 HB3 ALA 27 HB3 ALA 27 16.751 23.832 36.456 198 H GLU 28 H GLU 28 17.244 23.697 40.445 199 HA GLU 28 HA GLU 28 14.824 22.843 41.793 200 HB2 GLU 28 HB2 GLU 28 17.663 22.737 43.046 201 HB3 GLU 28 HB3 GLU 28 16.155 22.109 43.729 202 HG2 GLU 28 HG2 GLU 28 17.008 21.127 41.020 203 HG3 GLU 28 HG3 GLU 28 17.727 20.486 42.415 204 H ASN 29 H ASN 29 16.586 25.849 41.660 205 HA ASN 29 HA ASN 29 16.265 26.427 44.299 206 HB2 ASN 29 HB2 ASN 29 18.041 27.319 42.951 207 HB3 ASN 29 HB3 ASN 29 16.958 28.204 41.869 208 HD21 ASN 29 HD22 ASN 29 18.161 30.069 42.308 209 HD22 ASN 29 HD21 ASN 29 17.959 30.953 43.802 Start of MODEL 6 1 H1 ACE 1 HH32 ACE 1 37.811 10.807 16.602 2 H2 ACE 1 HH33 ACE 1 38.724 11.769 17.787 3 H3 ACE 1 HH31 ACE 1 37.479 10.795 18.364 4 H SER 2 H SER 2 35.226 11.694 17.989 5 HA SER 2 HA SER 2 34.525 13.633 16.024 6 HB2 SER 2 HB2 SER 2 33.018 12.632 18.449 7 HB3 SER 2 HB3 SER 2 32.293 13.315 16.880 8 HG SER 2 HG SER 2 32.078 11.294 16.748 9 H ASP 3 H ASP 3 35.724 14.010 19.408 10 HA ASP 3 HA ASP 3 34.668 16.631 19.854 11 HB2 ASP 3 HB2 ASP 3 35.591 14.853 21.471 12 HB3 ASP 3 HB3 ASP 3 37.127 15.033 20.751 13 H ALA 4 H ALA 4 37.169 15.504 17.733 14 HA ALA 4 HA ALA 4 39.003 17.643 17.725 15 HB1 ALA 4 HB1 ALA 4 39.681 16.996 15.486 16 HB2 ALA 4 HB2 ALA 4 39.625 15.691 16.742 17 HB3 ALA 4 HB3 ALA 4 38.380 15.725 15.544 18 H ALA 5 H ALA 5 35.853 17.367 16.251 19 HA ALA 5 HA ALA 5 35.901 19.587 14.387 20 HB1 ALA 5 HB1 ALA 5 33.775 17.729 15.633 21 HB2 ALA 5 HB2 ALA 5 33.437 18.829 14.319 22 HB3 ALA 5 HB3 ALA 5 34.391 17.526 14.001 23 H VAL 6 H VAL 6 35.081 18.949 17.768 24 HA VAL 6 HA VAL 6 34.128 21.742 18.081 25 HB VAL 6 HB VAL 6 34.628 19.920 20.276 26 HG11 VAL 6 HG11 VAL 6 33.911 22.353 20.640 27 HG12 VAL 6 HG12 VAL 6 32.354 21.957 19.838 28 HG13 VAL 6 HG13 VAL 6 32.754 21.189 21.302 29 HG21 VAL 6 HG21 VAL 6 32.013 19.775 18.706 30 HG22 VAL 6 HG22 VAL 6 33.242 18.504 18.799 31 HG23 VAL 6 HG23 VAL 6 32.364 18.932 20.245 32 H ASP 7 H ASP 7 37.020 20.656 17.233 33 HA ASP 7 HA ASP 7 39.158 20.940 17.666 34 HB2 ASP 7 HB2 ASP 7 38.175 23.352 17.199 35 HB3 ASP 7 HB3 ASP 7 38.412 23.594 18.946 36 H THR 8 H THR 8 38.387 19.252 19.420 37 HA THR 8 HA THR 8 38.739 18.235 21.221 38 HB THR 8 HB THR 8 41.021 20.201 21.757 39 HG1 THR 8 HG1 THR 8 41.154 19.531 19.677 40 HG21 THR 8 HG21 THR 8 41.149 18.834 23.589 41 HG22 THR 8 HG22 THR 8 40.670 17.315 22.664 42 HG23 THR 8 HG23 THR 8 42.200 18.130 22.454 43 H SER 9 H SER 9 36.682 19.355 21.994 44 HA SER 9 HA SER 9 36.706 21.607 23.965 45 HB2 SER 9 HB2 SER 9 34.388 20.910 24.409 46 HB3 SER 9 HB3 SER 9 34.621 20.943 22.666 47 HG SER 9 HG SER 9 34.851 18.646 23.010 48 H SER 10 H SER 10 37.876 18.317 24.266 49 HA SER 10 HA SER 10 37.145 17.638 26.905 50 HB2 SER 10 HB2 SER 10 39.534 17.097 25.416 51 HB3 SER 10 HB3 SER 10 39.014 16.224 26.948 52 HG SER 10 HG SER 10 37.711 16.432 24.430 53 H GLU 11 H GLU 11 39.785 19.992 25.817 54 HA GLU 11 HA GLU 11 40.671 20.174 28.553 55 HB2 GLU 11 HB2 GLU 11 41.174 21.850 26.047 56 HB3 GLU 11 HB3 GLU 11 41.791 22.467 27.602 57 HG2 GLU 11 HG2 GLU 11 43.233 20.450 27.781 58 HG3 GLU 11 HG3 GLU 11 42.502 19.876 26.254 59 H ILE 12 H ILE 12 38.123 21.654 26.994 60 HA ILE 12 HA ILE 12 38.077 23.642 29.202 61 HB ILE 12 HB ILE 12 36.612 25.233 27.835 62 HG12 ILE 12 HG12 ILE 12 36.958 23.582 25.371 63 HG13 ILE 12 HG13 ILE 12 35.570 23.364 26.579 64 HG21 ILE 12 HG21 ILE 12 39.056 25.674 27.719 65 HG22 ILE 12 HG22 ILE 12 39.202 24.390 26.565 66 HG23 ILE 12 HG23 ILE 12 38.423 25.959 26.121 67 HD11 ILE 12 HD11 ILE 12 36.381 25.950 25.187 68 HD12 ILE 12 HD12 ILE 12 35.003 24.943 24.816 69 HD13 ILE 12 HD13 ILE 12 35.041 25.768 26.404 70 H THR 13 H THR 13 36.305 21.146 28.171 71 HA THR 13 HA THR 13 33.776 21.894 28.755 72 HB THR 13 HB THR 13 34.057 19.797 27.698 73 HG1 THR 13 HG1 THR 13 32.370 19.421 29.058 74 HG21 THR 13 HG21 THR 13 36.372 19.405 28.517 75 HG22 THR 13 HG22 THR 13 35.608 18.666 30.042 76 HG23 THR 13 HG23 THR 13 35.371 17.965 28.439 77 H THR 14 H THR 14 36.215 21.542 31.353 78 HA THR 14 HA THR 14 34.189 20.973 33.445 79 HB THR 14 HB THR 14 36.977 22.246 33.680 80 HG1 THR 14 HG1 THR 14 36.336 19.996 32.814 81 HG21 THR 14 HG21 THR 14 35.381 22.442 35.765 82 HG22 THR 14 HG22 THR 14 35.455 20.678 35.725 83 HG23 THR 14 HG23 THR 14 36.984 21.608 35.860 84 H LYS 15 H LYS 15 35.376 23.804 31.786 85 HA LYS 15 HA LYS 15 34.063 25.953 33.306 86 HB2 LYS 15 HB2 LYS 15 34.722 25.931 30.322 87 HB3 LYS 15 HB3 LYS 15 34.201 27.190 31.407 88 HG2 LYS 15 HG2 LYS 15 36.076 26.766 32.904 89 HG3 LYS 15 HG3 LYS 15 36.786 25.479 31.929 90 HD2 LYS 15 HD2 LYS 15 37.914 27.583 31.567 91 HD3 LYS 15 HD3 LYS 15 37.216 26.975 30.078 92 HE2 LYS 15 HE2 LYS 15 35.317 28.688 30.400 93 HE3 LYS 15 HE3 LYS 15 36.160 29.300 31.742 94 HZ1 LYS 15 HZ1 LYS 15 37.208 29.422 29.013 95 HZ2 LYS 15 HZ2 LYS 15 36.734 30.628 30.051 96 HZ3 LYS 15 HZ3 LYS 15 38.156 29.780 30.224 97 H ASP 16 H ASP 16 32.927 24.140 30.397 98 HA ASP 16 HA ASP 16 30.350 25.161 30.665 99 HB2 ASP 16 HB2 ASP 16 31.102 24.405 28.543 100 HB3 ASP 16 HB3 ASP 16 31.282 22.756 29.052 101 H LEU 17 H LEU 17 31.837 22.738 32.554 102 HA LEU 17 HA LEU 17 29.257 21.315 33.008 103 HB2 LEU 17 HB2 LEU 17 31.995 20.825 33.822 104 HB3 LEU 17 HB3 LEU 17 30.578 20.040 34.579 105 HG LEU 17 HG LEU 17 31.282 20.011 31.578 106 HD11 LEU 17 HD11 LEU 17 32.974 19.029 32.963 107 HD12 LEU 17 HD12 LEU 17 31.782 17.891 33.620 108 HD13 LEU 17 HD13 LEU 17 32.167 17.831 31.878 109 HD21 LEU 17 HD21 LEU 17 28.896 19.471 31.983 110 HD22 LEU 17 HD22 LEU 17 29.775 18.027 31.515 111 HD23 LEU 17 HD23 LEU 17 29.322 18.279 33.230 112 H LYS 18 H LYS 18 31.312 23.749 34.794 113 HA LYS 18 HA LYS 18 29.702 23.691 37.251 114 HB2 LYS 18 HB2 LYS 18 31.621 25.690 35.863 115 HB3 LYS 18 HB3 LYS 18 30.636 26.188 37.191 116 HG2 LYS 18 HG2 LYS 18 32.856 25.746 37.906 117 HG3 LYS 18 HG3 LYS 18 31.625 24.707 38.689 118 HD2 LYS 18 HD2 LYS 18 32.204 22.738 37.151 119 HD3 LYS 18 HD3 LYS 18 33.453 23.638 36.460 120 HE2 LYS 18 HE2 LYS 18 32.941 23.016 39.441 121 HE3 LYS 18 HE3 LYS 18 33.945 22.038 38.491 122 HZ1 LYS 18 HZ1 LYS 18 34.586 24.792 39.331 123 HZ2 LYS 18 HZ2 LYS 18 35.429 23.460 39.594 124 HZ3 LYS 18 HZ3 LYS 18 35.476 24.061 38.149 125 H GLU 19 H GLU 19 29.668 25.262 33.823 126 HA GLU 19 HA GLU 19 27.378 26.764 34.278 127 HB2 GLU 19 HB2 GLU 19 28.805 25.815 32.023 128 HB3 GLU 19 HB3 GLU 19 27.179 25.458 31.808 129 HG2 GLU 19 HG2 GLU 19 26.470 27.563 32.253 130 HG3 GLU 19 HG3 GLU 19 28.202 28.215 32.477 131 H LYS 20 H LYS 20 27.652 23.463 33.492 132 HA LYS 20 HA LYS 20 24.839 22.904 33.287 133 HB2 LYS 20 HB2 LYS 20 27.202 20.967 33.602 134 HB3 LYS 20 HB3 LYS 20 25.472 20.441 33.348 135 HG2 LYS 20 HG2 LYS 20 26.997 22.182 31.376 136 HG3 LYS 20 HG3 LYS 20 27.081 20.451 31.420 137 HD2 LYS 20 HD2 LYS 20 24.731 20.140 31.050 138 HD3 LYS 20 HD3 LYS 20 24.516 22.008 30.980 139 HE2 LYS 20 HE2 LYS 20 25.770 20.161 28.934 140 HE3 LYS 20 HE3 LYS 20 24.319 21.113 28.838 141 HZ1 LYS 20 HZ1 LYS 20 27.094 22.277 29.136 142 HZ2 LYS 20 HZ2 LYS 20 26.216 22.312 27.820 143 HZ3 LYS 20 HZ3 LYS 20 25.776 23.229 29.069 144 H LYS 21 H LYS 21 26.800 23.083 36.032 145 HA LYS 21 HA LYS 21 24.874 21.550 37.709 146 HB2 LYS 21 HB2 LYS 21 27.716 22.601 38.298 147 HB3 LYS 21 HB3 LYS 21 26.581 22.024 39.567 148 HG2 LYS 21 HG2 LYS 21 27.596 20.351 37.247 149 HG3 LYS 21 HG3 LYS 21 28.252 20.310 38.867 150 HD2 LYS 21 HD2 LYS 21 26.296 19.818 40.030 151 HD3 LYS 21 HD3 LYS 21 25.346 19.594 38.653 152 HE2 LYS 21 HE2 LYS 21 26.887 17.912 37.662 153 HE3 LYS 21 HE3 LYS 21 27.782 17.853 39.186 154 HZ1 LYS 21 HZ1 LYS 21 26.082 16.103 39.220 155 HZ2 LYS 21 HZ2 LYS 21 25.390 17.194 40.089 156 HZ3 LYS 21 HZ3 LYS 21 24.920 17.129 38.576 157 H GLU 22 H GLU 22 25.526 24.474 36.721 158 HA GLU 22 HA GLU 22 24.620 25.982 39.101 159 HB2 GLU 22 HB2 GLU 22 26.759 26.724 38.109 160 HB3 GLU 22 HB3 GLU 22 26.047 27.146 36.554 161 HG2 GLU 22 HG2 GLU 22 24.443 28.600 37.725 162 HG3 GLU 22 HG3 GLU 22 25.402 28.177 39.200 163 H VAL 23 H VAL 23 23.941 25.943 35.552 164 HA VAL 23 HA VAL 23 21.371 26.747 35.351 165 HB VAL 23 HB VAL 23 22.879 26.035 33.755 166 HG11 VAL 23 HG11 VAL 23 22.706 23.749 32.614 167 HG12 VAL 23 HG12 VAL 23 23.024 23.621 34.376 168 HG13 VAL 23 HG13 VAL 23 21.485 23.234 33.579 169 HG21 VAL 23 HG21 VAL 23 20.602 26.865 33.319 170 HG22 VAL 23 HG22 VAL 23 20.999 25.637 32.078 171 HG23 VAL 23 HG23 VAL 23 20.021 25.221 33.474 172 H VAL 24 H VAL 24 22.525 23.708 36.556 173 HA VAL 24 HA VAL 24 19.789 22.454 36.973 174 HB VAL 24 HB VAL 24 22.154 21.413 36.387 175 HG11 VAL 24 HG11 VAL 24 23.065 20.111 37.982 176 HG12 VAL 24 HG12 VAL 24 23.057 21.729 38.698 177 HG13 VAL 24 HG13 VAL 24 21.957 20.481 39.275 178 HG21 VAL 24 HG21 VAL 24 21.151 19.464 36.381 179 HG22 VAL 24 HG22 VAL 24 19.885 19.833 37.707 180 HG23 VAL 24 HG23 VAL 24 19.761 20.530 36.175 181 H GLU 25 H GLU 25 22.117 23.999 39.182 182 HA GLU 25 HA GLU 25 20.329 23.330 41.427 183 HB2 GLU 25 HB2 GLU 25 23.108 24.514 41.287 184 HB3 GLU 25 HB3 GLU 25 22.154 24.532 42.866 185 HG2 GLU 25 HG2 GLU 25 22.003 22.332 42.942 186 HG3 GLU 25 HG3 GLU 25 22.970 22.049 41.410 187 H GLU 26 H GLU 26 20.793 25.854 39.230 188 HA GLU 26 HA GLU 26 18.708 27.704 40.484 189 HB2 GLU 26 HB2 GLU 26 19.702 27.522 37.635 190 HB3 GLU 26 HB3 GLU 26 18.574 28.626 38.170 191 HG2 GLU 26 HG2 GLU 26 21.429 28.374 38.886 192 HG3 GLU 26 HG3 GLU 26 20.543 29.736 38.064 193 H ALA 27 H ALA 27 18.575 25.078 38.160 194 HA ALA 27 HA ALA 27 15.704 25.099 37.519 195 HB1 ALA 27 HB1 ALA 27 17.783 22.817 37.366 196 HB2 ALA 27 HB2 ALA 27 16.255 22.795 36.616 197 HB3 ALA 27 HB3 ALA 27 17.535 23.979 36.138 198 H GLU 28 H GLU 28 17.747 23.680 40.013 199 HA GLU 28 HA GLU 28 15.551 22.313 41.356 200 HB2 GLU 28 HB2 GLU 28 17.800 21.443 41.277 201 HB3 GLU 28 HB3 GLU 28 18.409 22.654 42.348 202 HG2 GLU 28 HG2 GLU 28 17.011 21.768 44.195 203 HG3 GLU 28 HG3 GLU 28 16.260 20.660 43.118 204 H ASN 29 H ASN 29 17.016 25.467 41.524 205 HA ASN 29 HA ASN 29 16.372 26.188 44.207 206 HB2 ASN 29 HB2 ASN 29 17.939 27.497 42.911 207 HB3 ASN 29 HB3 ASN 29 16.690 27.902 41.706 208 HD21 ASN 29 HD22 ASN 29 17.483 30.090 42.180 209 HD22 ASN 29 HD21 ASN 29 16.654 30.840 43.571 Start of MODEL 7 1 H1 ACE 1 HH32 ACE 1 35.424 10.297 20.223 2 H2 ACE 1 HH33 ACE 1 34.133 9.093 20.219 3 H3 ACE 1 HH31 ACE 1 35.163 9.168 18.857 4 H SER 2 H SER 2 32.207 10.150 19.782 5 HA SER 2 HA SER 2 31.552 11.823 17.559 6 HB2 SER 2 HB2 SER 2 30.002 11.385 20.097 7 HB3 SER 2 HB3 SER 2 29.362 12.053 18.655 8 HG SER 2 HG SER 2 28.815 9.869 18.592 9 H ASP 3 H ASP 3 33.185 12.918 20.442 10 HA ASP 3 HA ASP 3 31.972 15.265 20.818 11 HB2 ASP 3 HB2 ASP 3 33.381 14.170 22.224 12 HB3 ASP 3 HB3 ASP 3 34.798 14.541 21.114 13 H ALA 4 H ALA 4 33.466 14.451 17.900 14 HA ALA 4 HA ALA 4 34.850 16.773 17.275 15 HB1 ALA 4 HB1 ALA 4 35.408 14.502 16.282 16 HB2 ALA 4 HB2 ALA 4 33.836 14.381 15.534 17 HB3 ALA 4 HB3 ALA 4 34.851 15.728 15.050 18 H ALA 5 H ALA 5 31.432 15.440 16.812 19 HA ALA 5 HA ALA 5 30.591 17.455 15.045 20 HB1 ALA 5 HB1 ALA 5 29.507 15.305 15.405 21 HB2 ALA 5 HB2 ALA 5 29.198 15.577 17.108 22 HB3 ALA 5 HB3 ALA 5 28.299 16.498 15.868 23 H VAL 6 H VAL 6 31.261 17.525 18.538 24 HA VAL 6 HA VAL 6 30.052 20.178 18.977 25 HB VAL 6 HB VAL 6 31.183 18.519 21.074 26 HG11 VAL 6 HG11 VAL 6 30.244 20.968 21.166 27 HG12 VAL 6 HG12 VAL 6 28.604 20.130 21.294 28 HG13 VAL 6 HG13 VAL 6 29.790 19.703 22.430 29 HG21 VAL 6 HG21 VAL 6 28.384 18.160 19.935 30 HG22 VAL 6 HG22 VAL 6 29.518 16.860 20.156 31 HG23 VAL 6 HG23 VAL 6 28.839 17.516 21.576 32 H ASP 7 H ASP 7 32.638 19.314 17.596 33 HA ASP 7 HA ASP 7 34.607 20.513 17.083 34 HB2 ASP 7 HB2 ASP 7 33.050 22.152 16.469 35 HB3 ASP 7 HB3 ASP 7 32.993 22.860 18.112 36 H THR 8 H THR 8 34.779 19.041 19.104 37 HA THR 8 HA THR 8 36.251 18.268 20.660 38 HB THR 8 HB THR 8 38.181 20.679 20.430 39 HG1 THR 8 HG1 THR 8 38.062 19.846 18.477 40 HG21 THR 8 HG21 THR 8 38.602 17.897 21.212 41 HG22 THR 8 HG22 THR 8 39.748 19.305 21.394 42 HG23 THR 8 HG23 THR 8 38.371 19.208 22.365 43 H SER 9 H SER 9 34.019 18.827 21.893 44 HA SER 9 HA SER 9 34.245 21.323 23.532 45 HB2 SER 9 HB2 SER 9 31.987 20.712 24.274 46 HB3 SER 9 HB3 SER 9 32.169 20.164 22.652 47 HG SER 9 HG SER 9 32.499 18.034 23.600 48 H SER 10 H SER 10 35.501 18.032 24.000 49 HA SER 10 HA SER 10 35.800 18.150 26.680 50 HB2 SER 10 HB2 SER 10 37.718 17.100 24.583 51 HB3 SER 10 HB3 SER 10 37.612 16.607 26.441 52 HG SER 10 HG SER 10 36.011 16.097 24.287 53 H GLU 11 H GLU 11 36.855 20.512 24.560 54 HA GLU 11 HA GLU 11 39.430 21.253 25.734 55 HB2 GLU 11 HB2 GLU 11 38.645 21.786 23.425 56 HB3 GLU 11 HB3 GLU 11 37.591 23.007 24.076 57 HG2 GLU 11 HG2 GLU 11 39.731 23.997 25.245 58 HG3 GLU 11 HG3 GLU 11 40.550 22.621 24.403 59 H ILE 12 H ILE 12 36.322 22.580 25.829 60 HA ILE 12 HA ILE 12 36.759 24.198 28.224 61 HB ILE 12 HB ILE 12 34.809 25.317 27.675 62 HG12 ILE 12 HG12 ILE 12 34.505 23.683 25.173 63 HG13 ILE 12 HG13 ILE 12 33.746 23.120 26.585 64 HG21 ILE 12 HG21 ILE 12 36.439 25.133 25.278 65 HG22 ILE 12 HG22 ILE 12 35.251 26.387 25.503 66 HG23 ILE 12 HG23 ILE 12 36.733 26.312 26.540 67 HD11 ILE 12 HD11 ILE 12 32.324 24.356 24.958 68 HD12 ILE 12 HD12 ILE 12 32.173 24.640 26.749 69 HD13 ILE 12 HD13 ILE 12 32.994 25.844 25.850 70 H THR 13 H THR 13 35.316 21.256 27.651 71 HA THR 13 HA THR 13 33.099 20.815 28.911 72 HB THR 13 HB THR 13 34.361 19.268 27.944 73 HG1 THR 13 HG1 THR 13 33.525 17.750 28.739 74 HG21 THR 13 HG21 THR 13 35.991 18.992 30.521 75 HG22 THR 13 HG22 THR 13 36.019 17.993 28.993 76 HG23 THR 13 HG23 THR 13 36.535 19.737 28.978 77 H THR 14 H THR 14 36.069 21.333 30.965 78 HA THR 14 HA THR 14 34.548 21.144 33.435 79 HB THR 14 HB THR 14 37.074 22.828 33.218 80 HG1 THR 14 HG1 THR 14 38.124 20.680 33.583 81 HG21 THR 14 HG21 THR 14 36.309 20.903 35.334 82 HG22 THR 14 HG22 THR 14 37.539 22.150 35.531 83 HG23 THR 14 HG23 THR 14 35.784 22.608 35.300 84 H LYS 15 H LYS 15 35.341 24.042 31.565 85 HA LYS 15 HA LYS 15 33.871 26.049 32.985 86 HB2 LYS 15 HB2 LYS 15 34.101 25.886 29.871 87 HB3 LYS 15 HB3 LYS 15 33.418 27.168 30.908 88 HG2 LYS 15 HG2 LYS 15 35.837 27.346 32.098 89 HG3 LYS 15 HG3 LYS 15 36.288 26.033 31.041 90 HD2 LYS 15 HD2 LYS 15 36.042 27.603 29.061 91 HD3 LYS 15 HD3 LYS 15 35.187 28.777 29.943 92 HE2 LYS 15 HE2 LYS 15 36.910 29.326 31.300 93 HE3 LYS 15 HE3 LYS 15 37.881 27.900 30.651 94 HZ1 LYS 15 HZ1 LYS 15 36.966 30.210 28.938 95 HZ2 LYS 15 HZ2 LYS 15 38.368 30.190 29.517 96 HZ3 LYS 15 HZ3 LYS 15 37.951 28.923 28.558 97 H ASP 16 H ASP 16 32.941 23.872 30.535 98 HA ASP 16 HA ASP 16 30.064 24.312 30.448 99 HB2 ASP 16 HB2 ASP 16 31.721 23.130 28.828 100 HB3 ASP 16 HB3 ASP 16 31.171 21.695 29.721 101 H LEU 17 H LEU 17 31.924 22.214 32.700 102 HA LEU 17 HA LEU 17 29.219 21.052 33.480 103 HB2 LEU 17 HB2 LEU 17 31.989 20.280 34.205 104 HB3 LEU 17 HB3 LEU 17 30.550 19.605 35.044 105 HG LEU 17 HG LEU 17 30.710 19.641 32.069 106 HD11 LEU 17 HD11 LEU 17 32.078 17.685 34.054 107 HD12 LEU 17 HD12 LEU 17 31.918 17.410 32.315 108 HD13 LEU 17 HD13 LEU 17 32.924 18.742 32.866 109 HD21 LEU 17 HD21 LEU 17 29.565 17.725 34.198 110 HD22 LEU 17 HD22 LEU 17 28.570 18.461 32.849 111 HD23 LEU 17 HD23 LEU 17 29.706 17.253 32.525 112 H LYS 18 H LYS 18 31.379 23.654 34.531 113 HA LYS 18 HA LYS 18 30.154 23.981 37.164 114 HB2 LYS 18 HB2 LYS 18 32.117 25.444 35.358 115 HB3 LYS 18 HB3 LYS 18 31.046 26.405 36.398 116 HG2 LYS 18 HG2 LYS 18 32.584 26.148 38.027 117 HG3 LYS 18 HG3 LYS 18 31.782 24.762 38.339 118 HD2 LYS 18 HD2 LYS 18 33.129 23.430 36.770 119 HD3 LYS 18 HD3 LYS 18 34.244 24.892 36.809 120 HE2 LYS 18 HE2 LYS 18 33.613 23.259 39.206 121 HE3 LYS 18 HE3 LYS 18 35.001 22.992 38.287 122 HZ1 LYS 18 HZ1 LYS 18 35.430 24.691 40.159 123 HZ2 LYS 18 HZ2 LYS 18 35.857 25.281 38.768 124 HZ3 LYS 18 HZ3 LYS 18 34.379 25.618 39.475 125 H GLU 19 H GLU 19 29.619 24.981 33.773 126 HA GLU 19 HA GLU 19 27.438 26.778 34.240 127 HB2 GLU 19 HB2 GLU 19 28.637 26.758 32.280 128 HB3 GLU 19 HB3 GLU 19 28.418 24.986 31.906 129 HG2 GLU 19 HG2 GLU 19 26.188 25.208 31.446 130 HG3 GLU 19 HG3 GLU 19 26.153 26.882 31.812 131 H LYS 20 H LYS 20 27.678 23.251 33.417 132 HA LYS 20 HA LYS 20 24.902 22.901 33.271 133 HB2 LYS 20 HB2 LYS 20 27.182 21.115 33.680 134 HB3 LYS 20 HB3 LYS 20 25.625 20.332 33.532 135 HG2 LYS 20 HG2 LYS 20 26.908 21.799 31.238 136 HG3 LYS 20 HG3 LYS 20 26.649 20.111 31.505 137 HD2 LYS 20 HD2 LYS 20 24.053 20.702 31.558 138 HD3 LYS 20 HD3 LYS 20 24.590 22.332 31.248 139 HE2 LYS 20 HE2 LYS 20 24.922 19.747 29.588 140 HE3 LYS 20 HE3 LYS 20 23.954 21.116 29.151 141 HZ1 LYS 20 HZ1 LYS 20 25.907 22.490 28.827 142 HZ2 LYS 20 HZ2 LYS 20 26.946 21.312 28.961 143 HZ3 LYS 20 HZ3 LYS 20 26.048 21.244 27.769 144 H LYS 21 H LYS 21 26.837 23.017 36.061 145 HA LYS 21 HA LYS 21 25.108 21.826 38.192 146 HB2 LYS 21 HB2 LYS 21 27.909 22.746 37.714 147 HB3 LYS 21 HB3 LYS 21 27.264 22.591 39.342 148 HG2 LYS 21 HG2 LYS 21 26.856 20.284 39.180 149 HG3 LYS 21 HG3 LYS 21 27.233 20.126 37.496 150 HD2 LYS 21 HD2 LYS 21 29.546 20.971 38.047 151 HD3 LYS 21 HD3 LYS 21 29.061 21.131 39.753 152 HE2 LYS 21 HE2 LYS 21 28.948 18.397 38.547 153 HE3 LYS 21 HE3 LYS 21 30.509 19.035 38.987 154 HZ1 LYS 21 HZ1 LYS 21 29.624 19.224 41.234 155 HZ2 LYS 21 HZ2 LYS 21 28.104 18.821 40.593 156 HZ3 LYS 21 HZ3 LYS 21 29.268 17.718 40.780 157 H GLU 22 H GLU 22 25.690 24.904 36.691 158 HA GLU 22 HA GLU 22 25.117 26.596 39.008 159 HB2 GLU 22 HB2 GLU 22 26.973 27.474 37.874 160 HB3 GLU 22 HB3 GLU 22 26.193 27.402 36.285 161 HG2 GLU 22 HG2 GLU 22 24.439 28.981 37.017 162 HG3 GLU 22 HG3 GLU 22 25.280 29.170 38.514 163 H VAL 23 H VAL 23 24.197 26.136 35.708 164 HA VAL 23 HA VAL 23 21.627 27.223 35.604 165 HB VAL 23 HB VAL 23 23.147 26.265 33.734 166 HG11 VAL 23 HG11 VAL 23 22.668 24.061 32.772 167 HG12 VAL 23 HG12 VAL 23 23.178 23.845 34.322 168 HG13 VAL 23 HG13 VAL 23 21.379 23.760 33.972 169 HG21 VAL 23 HG21 VAL 23 21.269 26.360 32.314 170 HG22 VAL 23 HG22 VAL 23 20.141 25.802 33.613 171 HG23 VAL 23 HG23 VAL 23 20.890 27.451 33.632 172 H VAL 24 H VAL 24 22.724 24.082 36.722 173 HA VAL 24 HA VAL 24 19.872 23.224 37.185 174 HB VAL 24 HB VAL 24 21.701 21.721 36.177 175 HG11 VAL 24 HG11 VAL 24 21.680 20.494 38.947 176 HG12 VAL 24 HG12 VAL 24 22.696 20.154 37.552 177 HG13 VAL 24 HG13 VAL 24 23.027 21.617 38.419 178 HG21 VAL 24 HG21 VAL 24 19.288 21.220 36.344 179 HG22 VAL 24 HG22 VAL 24 20.142 19.798 36.690 180 HG23 VAL 24 HG23 VAL 24 19.507 20.702 38.026 181 H GLU 25 H GLU 25 22.225 24.635 39.186 182 HA GLU 25 HA GLU 25 20.737 23.698 41.608 183 HB2 GLU 25 HB2 GLU 25 23.115 24.081 41.615 184 HB3 GLU 25 HB3 GLU 25 23.045 25.640 41.054 185 HG2 GLU 25 HG2 GLU 25 21.721 26.441 42.938 186 HG3 GLU 25 HG3 GLU 25 21.668 24.819 43.673 187 H GLU 26 H GLU 26 20.704 26.588 39.335 188 HA GLU 26 HA GLU 26 18.643 28.051 40.734 189 HB2 GLU 26 HB2 GLU 26 19.586 28.068 37.888 190 HB3 GLU 26 HB3 GLU 26 18.177 29.036 38.387 191 HG2 GLU 26 HG2 GLU 26 20.947 29.325 39.386 192 HG3 GLU 26 HG3 GLU 26 19.962 30.374 38.443 193 H ALA 27 H ALA 27 18.665 25.413 38.190 194 HA ALA 27 HA ALA 27 15.752 25.545 37.960 195 HB1 ALA 27 HB1 ALA 27 17.837 23.670 36.870 196 HB2 ALA 27 HB2 ALA 27 16.132 23.942 36.192 197 HB3 ALA 27 HB3 ALA 27 17.365 25.195 36.125 198 H GLU 28 H GLU 28 17.785 23.730 40.236 199 HA GLU 28 HA GLU 28 15.678 21.734 40.676 200 HB2 GLU 28 HB2 GLU 28 18.379 22.078 41.874 201 HB3 GLU 28 HB3 GLU 28 17.168 21.115 42.586 202 HG2 GLU 28 HG2 GLU 28 17.135 19.659 40.525 203 HG3 GLU 28 HG3 GLU 28 18.239 20.708 39.769 204 H ASN 29 H ASN 29 16.249 24.783 41.373 205 HA ASN 29 HA ASN 29 15.424 24.641 44.152 206 HB2 ASN 29 HB2 ASN 29 17.015 26.460 42.947 207 HB3 ASN 29 HB3 ASN 29 15.429 27.241 42.520 208 HD21 ASN 29 HD22 ASN 29 17.602 26.540 45.270 209 HD22 ASN 29 HD21 ASN 29 16.671 27.553 46.385 Start of MODEL 8 1 H1 ACE 1 HH32 ACE 1 35.970 12.713 15.056 2 H2 ACE 1 HH33 ACE 1 37.474 12.981 14.596 3 H3 ACE 1 HH31 ACE 1 37.163 13.479 16.277 4 H SER 2 H SER 2 34.591 14.501 15.758 5 HA SER 2 HA SER 2 34.486 16.747 13.972 6 HB2 SER 2 HB2 SER 2 32.690 15.745 16.358 7 HB3 SER 2 HB3 SER 2 32.289 17.128 15.385 8 HG SER 2 HG SER 2 31.610 14.763 14.678 9 H ASP 3 H ASP 3 35.750 16.294 17.072 10 HA ASP 3 HA ASP 3 35.112 18.788 18.271 11 HB2 ASP 3 HB2 ASP 3 36.162 16.559 19.126 12 HB3 ASP 3 HB3 ASP 3 37.643 17.412 18.788 13 H ALA 4 H ALA 4 37.577 18.005 15.769 14 HA ALA 4 HA ALA 4 39.295 20.322 16.139 15 HB1 ALA 4 HB1 ALA 4 38.412 19.427 13.494 16 HB2 ALA 4 HB2 ALA 4 39.936 20.164 13.795 17 HB3 ALA 4 HB3 ALA 4 39.670 18.489 14.308 18 H ALA 5 H ALA 5 36.101 20.253 14.742 19 HA ALA 5 HA ALA 5 36.471 22.997 13.974 20 HB1 ALA 5 HB1 ALA 5 33.874 21.354 13.990 21 HB2 ALA 5 HB2 ALA 5 34.067 23.025 13.199 22 HB3 ALA 5 HB3 ALA 5 34.973 21.715 12.624 23 H VAL 6 H VAL 6 35.844 21.728 16.979 24 HA VAL 6 HA VAL 6 34.926 24.353 17.958 25 HB VAL 6 HB VAL 6 35.022 22.026 19.745 26 HG11 VAL 6 HG11 VAL 6 34.157 24.661 20.117 27 HG12 VAL 6 HG12 VAL 6 32.814 23.955 19.271 28 HG13 VAL 6 HG13 VAL 6 33.279 23.298 20.881 29 HG21 VAL 6 HG21 VAL 6 32.867 22.346 17.621 30 HG22 VAL 6 HG22 VAL 6 33.995 20.967 17.931 31 HG23 VAL 6 HG23 VAL 6 32.831 21.328 19.098 32 H ASP 7 H ASP 7 37.905 23.200 17.243 33 HA ASP 7 HA ASP 7 39.833 23.338 17.842 34 HB2 ASP 7 HB2 ASP 7 39.359 25.744 17.853 35 HB3 ASP 7 HB3 ASP 7 39.168 25.691 19.576 36 H THR 8 H THR 8 38.419 21.352 19.079 37 HA THR 8 HA THR 8 38.825 19.611 20.398 38 HB THR 8 HB THR 8 41.420 20.719 21.506 39 HG1 THR 8 HG1 THR 8 41.578 20.524 19.495 40 HG21 THR 8 HG21 THR 8 40.422 17.920 21.118 41 HG22 THR 8 HG22 THR 8 41.917 18.370 21.927 42 HG23 THR 8 HG23 THR 8 40.242 18.659 22.643 43 H SER 9 H SER 9 36.870 20.806 21.226 44 HA SER 9 HA SER 9 36.946 22.447 23.677 45 HB2 SER 9 HB2 SER 9 34.705 22.503 23.488 46 HB3 SER 9 HB3 SER 9 35.245 22.704 21.890 47 HG SER 9 HG SER 9 35.006 20.249 21.725 48 H SER 10 H SER 10 37.040 18.946 23.103 49 HA SER 10 HA SER 10 36.328 17.968 25.680 50 HB2 SER 10 HB2 SER 10 38.665 17.307 23.889 51 HB3 SER 10 HB3 SER 10 37.954 16.391 25.294 52 HG SER 10 HG SER 10 36.704 16.804 22.737 53 H GLU 11 H GLU 11 39.259 20.160 24.983 54 HA GLU 11 HA GLU 11 40.288 19.240 27.553 55 HB2 GLU 11 HB2 GLU 11 40.927 21.506 25.723 56 HB3 GLU 11 HB3 GLU 11 42.051 21.252 27.063 57 HG2 GLU 11 HG2 GLU 11 41.936 18.792 25.762 58 HG3 GLU 11 HG3 GLU 11 41.481 19.864 24.463 59 H ILE 12 H ILE 12 38.279 21.848 26.588 60 HA ILE 12 HA ILE 12 38.527 23.324 29.131 61 HB ILE 12 HB ILE 12 37.224 25.055 28.081 62 HG12 ILE 12 HG12 ILE 12 37.055 23.869 25.367 63 HG13 ILE 12 HG13 ILE 12 35.851 23.216 26.446 64 HG21 ILE 12 HG21 ILE 12 39.353 24.116 26.044 65 HG22 ILE 12 HG22 ILE 12 38.797 25.767 26.266 66 HG23 ILE 12 HG23 ILE 12 39.636 25.035 27.641 67 HD11 ILE 12 HD11 ILE 12 36.419 26.182 25.667 68 HD12 ILE 12 HD12 ILE 12 35.064 25.275 25.376 69 HD13 ILE 12 HD13 ILE 12 35.445 25.774 27.141 70 H THR 13 H THR 13 36.308 21.099 27.986 71 HA THR 13 HA THR 13 33.790 21.651 28.876 72 HB THR 13 HB THR 13 34.486 19.612 27.701 73 HG1 THR 13 HG1 THR 13 33.485 18.008 28.760 74 HG21 THR 13 HG21 THR 13 36.699 19.244 29.147 75 HG22 THR 13 HG22 THR 13 35.586 18.300 30.212 76 HG23 THR 13 HG23 THR 13 35.784 17.968 28.502 77 H THR 14 H THR 14 36.270 21.337 31.232 78 HA THR 14 HA THR 14 34.501 20.892 33.409 79 HB THR 14 HB THR 14 36.929 22.654 33.841 80 HG1 THR 14 HG1 THR 14 37.691 20.916 32.598 81 HG21 THR 14 HG21 THR 14 35.377 22.169 35.663 82 HG22 THR 14 HG22 THR 14 35.514 20.473 35.323 83 HG23 THR 14 HG23 THR 14 36.980 21.347 35.866 84 H LYS 15 H LYS 15 35.306 23.745 31.628 85 HA LYS 15 HA LYS 15 34.049 25.786 33.321 86 HB2 LYS 15 HB2 LYS 15 34.589 25.816 30.369 87 HB3 LYS 15 HB3 LYS 15 34.114 27.182 31.268 88 HG2 LYS 15 HG2 LYS 15 35.916 27.294 32.797 89 HG3 LYS 15 HG3 LYS 15 36.481 25.767 32.293 90 HD2 LYS 15 HD2 LYS 15 37.184 26.223 30.247 91 HD3 LYS 15 HD3 LYS 15 36.244 27.710 30.107 92 HE2 LYS 15 HE2 LYS 15 37.746 28.954 31.531 93 HE3 LYS 15 HE3 LYS 15 38.364 27.393 32.303 94 HZ1 LYS 15 HZ1 LYS 15 39.660 27.099 30.373 95 HZ2 LYS 15 HZ2 LYS 15 39.186 28.503 29.752 96 HZ3 LYS 15 HZ3 LYS 15 40.150 28.473 31.108 97 H ASP 16 H ASP 16 33.115 23.858 30.532 98 HA ASP 16 HA ASP 16 30.401 24.632 30.270 99 HB2 ASP 16 HB2 ASP 16 31.778 23.447 28.591 100 HB3 ASP 16 HB3 ASP 16 31.426 21.945 29.567 101 H LEU 17 H LEU 17 31.754 22.161 32.369 102 HA LEU 17 HA LEU 17 29.071 21.158 33.028 103 HB2 LEU 17 HB2 LEU 17 31.832 20.363 33.858 104 HB3 LEU 17 HB3 LEU 17 30.370 19.507 34.527 105 HG LEU 17 HG LEU 17 30.953 19.584 31.610 106 HD11 LEU 17 HD11 LEU 17 32.880 18.581 32.478 107 HD12 LEU 17 HD12 LEU 17 31.845 17.547 33.567 108 HD13 LEU 17 HD13 LEU 17 31.904 17.383 31.796 109 HD21 LEU 17 HD21 LEU 17 29.386 17.687 33.374 110 HD22 LEU 17 HD22 LEU 17 28.665 19.153 32.393 111 HD23 LEU 17 HD23 LEU 17 29.276 17.757 31.592 112 H LYS 18 H LYS 18 31.262 23.660 34.168 113 HA LYS 18 HA LYS 18 29.913 23.818 36.836 114 HB2 LYS 18 HB2 LYS 18 32.157 25.186 35.219 115 HB3 LYS 18 HB3 LYS 18 31.392 26.313 36.190 116 HG2 LYS 18 HG2 LYS 18 33.119 25.564 37.551 117 HG3 LYS 18 HG3 LYS 18 31.601 24.974 38.300 118 HD2 LYS 18 HD2 LYS 18 31.913 22.820 37.449 119 HD3 LYS 18 HD3 LYS 18 33.290 23.277 36.463 120 HE2 LYS 18 HE2 LYS 18 33.981 22.001 38.297 121 HE3 LYS 18 HE3 LYS 18 34.659 23.543 38.527 122 HZ1 LYS 18 HZ1 LYS 18 32.081 23.113 39.743 123 HZ2 LYS 18 HZ2 LYS 18 33.459 22.781 40.633 124 HZ3 LYS 18 HZ3 LYS 18 33.181 24.248 40.000 125 H GLU 19 H GLU 19 29.538 24.917 33.583 126 HA GLU 19 HA GLU 19 27.358 26.749 34.284 127 HB2 GLU 19 HB2 GLU 19 28.676 26.641 32.160 128 HB3 GLU 19 HB3 GLU 19 27.858 25.123 31.750 129 HG2 GLU 19 HG2 GLU 19 25.750 26.553 32.091 130 HG3 GLU 19 HG3 GLU 19 26.965 27.907 31.741 131 H LYS 20 H LYS 20 27.455 23.293 33.172 132 HA LYS 20 HA LYS 20 24.771 22.788 33.516 133 HB2 LYS 20 HB2 LYS 20 27.125 20.871 33.649 134 HB3 LYS 20 HB3 LYS 20 25.354 20.400 33.434 135 HG2 LYS 20 HG2 LYS 20 27.078 21.819 31.436 136 HG3 LYS 20 HG3 LYS 20 26.212 20.355 31.408 137 HD2 LYS 20 HD2 LYS 20 24.070 21.335 31.068 138 HD3 LYS 20 HD3 LYS 20 24.663 22.963 31.460 139 HE2 LYS 20 HE2 LYS 20 24.822 21.386 29.096 140 HE3 LYS 20 HE3 LYS 20 24.316 23.098 29.276 141 HZ1 LYS 20 HZ1 LYS 20 26.510 22.973 28.198 142 HZ2 LYS 20 HZ2 LYS 20 26.625 23.793 29.557 143 HZ3 LYS 20 HZ3 LYS 20 27.269 22.316 29.357 144 H LYS 21 H LYS 21 27.063 22.998 36.206 145 HA LYS 21 HA LYS 21 24.978 21.884 38.094 146 HB2 LYS 21 HB2 LYS 21 27.788 22.977 38.632 147 HB3 LYS 21 HB3 LYS 21 26.648 22.360 39.833 148 HG2 LYS 21 HG2 LYS 21 26.439 20.179 38.916 149 HG3 LYS 21 HG3 LYS 21 27.538 20.574 37.562 150 HD2 LYS 21 HD2 LYS 21 29.423 20.775 39.024 151 HD3 LYS 21 HD3 LYS 21 28.454 20.734 40.458 152 HE2 LYS 21 HE2 LYS 21 27.963 18.335 40.139 153 HE3 LYS 21 HE3 LYS 21 28.527 18.439 38.384 154 HZ1 LYS 21 HZ1 LYS 21 30.060 17.304 39.757 155 HZ2 LYS 21 HZ2 LYS 21 30.726 18.777 39.388 156 HZ3 LYS 21 HZ3 LYS 21 30.138 18.403 40.851 157 H GLU 22 H GLU 22 25.753 24.877 36.689 158 HA GLU 22 HA GLU 22 25.304 26.497 39.086 159 HB2 GLU 22 HB2 GLU 22 27.198 27.196 37.561 160 HB3 GLU 22 HB3 GLU 22 25.878 27.520 36.387 161 HG2 GLU 22 HG2 GLU 22 26.280 29.642 37.546 162 HG3 GLU 22 HG3 GLU 22 24.692 28.898 37.913 163 H VAL 23 H VAL 23 24.240 26.269 35.561 164 HA VAL 23 HA VAL 23 21.902 27.472 35.586 165 HB VAL 23 HB VAL 23 23.387 26.225 33.682 166 HG11 VAL 23 HG11 VAL 23 22.951 23.913 34.344 167 HG12 VAL 23 HG12 VAL 23 21.306 24.149 34.136 168 HG13 VAL 23 HG13 VAL 23 22.295 24.159 32.763 169 HG21 VAL 23 HG21 VAL 23 21.360 26.487 32.142 170 HG22 VAL 23 HG22 VAL 23 20.386 26.415 33.628 171 HG23 VAL 23 HG23 VAL 23 21.467 27.821 33.320 172 H VAL 24 H VAL 24 22.796 24.128 36.678 173 HA VAL 24 HA VAL 24 19.943 23.731 36.766 174 HB VAL 24 HB VAL 24 21.716 21.886 35.985 175 HG11 VAL 24 HG11 VAL 24 22.953 21.984 38.353 176 HG12 VAL 24 HG12 VAL 24 21.415 21.159 38.770 177 HG13 VAL 24 HG13 VAL 24 22.606 20.530 37.444 178 HG21 VAL 24 HG21 VAL 24 20.255 20.089 36.397 179 HG22 VAL 24 HG22 VAL 24 19.497 20.755 37.728 180 HG23 VAL 24 HG23 VAL 24 19.428 21.624 36.060 181 H GLU 25 H GLU 25 22.275 24.495 39.352 182 HA GLU 25 HA GLU 25 20.594 23.652 41.344 183 HB2 GLU 25 HB2 GLU 25 22.771 24.179 41.796 184 HB3 GLU 25 HB3 GLU 25 22.462 25.867 41.248 185 HG2 GLU 25 HG2 GLU 25 21.090 26.159 43.197 186 HG3 GLU 25 HG3 GLU 25 21.671 24.547 43.858 187 H GLU 26 H GLU 26 20.185 26.530 39.216 188 HA GLU 26 HA GLU 26 18.032 27.636 40.805 189 HB2 GLU 26 HB2 GLU 26 17.605 29.173 39.341 190 HB3 GLU 26 HB3 GLU 26 19.384 28.994 39.562 191 HG2 GLU 26 HG2 GLU 26 19.714 28.315 37.496 192 HG3 GLU 26 HG3 GLU 26 18.107 27.593 37.224 193 H ALA 27 H ALA 27 18.315 24.847 38.692 194 HA ALA 27 HA ALA 27 15.458 24.896 37.877 195 HB1 ALA 27 HB1 ALA 27 17.683 22.921 37.292 196 HB2 ALA 27 HB2 ALA 27 15.979 22.990 36.714 197 HB3 ALA 27 HB3 ALA 27 17.109 24.203 36.140 198 H GLU 28 H GLU 28 17.575 23.574 40.308 199 HA GLU 28 HA GLU 28 15.634 21.572 41.137 200 HB2 GLU 28 HB2 GLU 28 18.335 22.428 42.167 201 HB3 GLU 28 HB3 GLU 28 17.428 21.228 42.903 202 HG2 GLU 28 HG2 GLU 28 18.404 21.062 39.949 203 HG3 GLU 28 HG3 GLU 28 19.211 20.278 41.265 204 H ASN 29 H ASN 29 16.808 24.595 42.130 205 HA ASN 29 HA ASN 29 15.011 25.006 44.462 206 HB2 ASN 29 HB2 ASN 29 17.299 26.897 43.513 207 HB3 ASN 29 HB3 ASN 29 16.206 27.118 44.802 208 HD21 ASN 29 HD22 ASN 29 18.928 25.122 43.744 209 HD22 ASN 29 HD21 ASN 29 19.116 24.297 45.296 Start of MODEL 9 1 H1 ACE 1 HH32 ACE 1 32.849 15.037 13.454 2 H2 ACE 1 HH33 ACE 1 33.627 16.626 13.263 3 H3 ACE 1 HH31 ACE 1 33.976 15.568 14.678 4 H SER 2 H SER 2 31.909 14.698 15.545 5 HA SER 2 HA SER 2 29.627 16.215 16.248 6 HB2 SER 2 HB2 SER 2 31.250 14.660 18.213 7 HB3 SER 2 HB3 SER 2 29.538 14.859 18.244 8 HG SER 2 HG SER 2 30.161 12.838 17.410 9 H ASP 3 H ASP 3 32.974 16.583 17.716 10 HA ASP 3 HA ASP 3 32.023 19.001 19.121 11 HB2 ASP 3 HB2 ASP 3 32.958 17.066 20.313 12 HB3 ASP 3 HB3 ASP 3 34.551 17.223 19.378 13 H ALA 4 H ALA 4 33.701 18.272 16.159 14 HA ALA 4 HA ALA 4 35.406 20.638 16.293 15 HB1 ALA 4 HB1 ALA 4 36.113 18.772 15.092 16 HB2 ALA 4 HB2 ALA 4 34.499 18.576 14.269 17 HB3 ALA 4 HB3 ALA 4 35.614 19.852 13.936 18 H ALA 5 H ALA 5 31.898 19.876 15.480 19 HA ALA 5 HA ALA 5 31.513 22.235 13.728 20 HB1 ALA 5 HB1 ALA 5 30.022 20.140 13.685 21 HB2 ALA 5 HB2 ALA 5 29.581 20.687 15.296 22 HB3 ALA 5 HB3 ALA 5 29.181 21.686 13.939 23 H VAL 6 H VAL 6 30.995 21.499 17.129 24 HA VAL 6 HA VAL 6 30.521 24.153 18.216 25 HB VAL 6 HB VAL 6 31.665 21.748 19.696 26 HG11 VAL 6 HG11 VAL 6 29.243 23.412 20.596 27 HG12 VAL 6 HG12 VAL 6 29.982 22.209 21.538 28 HG13 VAL 6 HG13 VAL 6 30.875 23.714 21.086 29 HG21 VAL 6 HG21 VAL 6 30.060 20.570 18.402 30 HG22 VAL 6 HG22 VAL 6 29.437 20.671 20.083 31 HG23 VAL 6 HG23 VAL 6 28.763 21.736 18.848 32 H ASP 7 H ASP 7 33.117 23.321 16.704 33 HA ASP 7 HA ASP 7 35.299 24.101 16.511 34 HB2 ASP 7 HB2 ASP 7 34.029 26.000 16.548 35 HB3 ASP 7 HB3 ASP 7 34.232 26.225 18.365 36 H THR 8 H THR 8 35.011 21.955 18.246 37 HA THR 8 HA THR 8 36.144 20.665 19.392 38 HB THR 8 HB THR 8 38.433 22.526 19.176 39 HG1 THR 8 HG1 THR 8 37.735 21.945 17.272 40 HG21 THR 8 HG21 THR 8 38.756 20.528 20.907 41 HG22 THR 8 HG22 THR 8 38.548 19.467 19.421 42 HG23 THR 8 HG23 THR 8 39.797 20.640 19.518 43 H SER 9 H SER 9 34.447 21.468 21.033 44 HA SER 9 HA SER 9 35.314 23.238 23.149 45 HB2 SER 9 HB2 SER 9 33.157 23.015 23.975 46 HB3 SER 9 HB3 SER 9 33.038 23.418 22.286 47 HG SER 9 HG SER 9 32.907 20.953 22.088 48 H SER 10 H SER 10 35.851 19.933 22.751 49 HA SER 10 HA SER 10 35.619 19.000 25.520 50 HB2 SER 10 HB2 SER 10 37.495 18.061 23.360 51 HB3 SER 10 HB3 SER 10 37.267 17.105 24.750 52 HG SER 10 HG SER 10 35.563 17.757 22.633 53 H GLU 11 H GLU 11 37.543 21.236 24.361 54 HA GLU 11 HA GLU 11 39.603 20.958 26.471 55 HB2 GLU 11 HB2 GLU 11 39.325 23.248 24.564 56 HB3 GLU 11 HB3 GLU 11 40.537 23.254 25.778 57 HG2 GLU 11 HG2 GLU 11 41.233 20.868 24.708 58 HG3 GLU 11 HG3 GLU 11 40.245 21.373 23.402 59 H ILE 12 H ILE 12 36.701 22.899 26.006 60 HA ILE 12 HA ILE 12 37.199 24.191 28.598 61 HB ILE 12 HB ILE 12 35.473 25.730 28.176 62 HG12 ILE 12 HG12 ILE 12 34.959 24.848 25.275 63 HG13 ILE 12 HG13 ILE 12 34.209 23.910 26.323 64 HG21 ILE 12 HG21 ILE 12 37.658 26.556 27.313 65 HG22 ILE 12 HG22 ILE 12 37.079 25.926 25.711 66 HG23 ILE 12 HG23 ILE 12 36.316 27.316 26.485 67 HD11 ILE 12 HD11 ILE 12 32.854 25.813 27.150 68 HD12 ILE 12 HD12 ILE 12 34.049 26.888 26.311 69 HD13 ILE 12 HD13 ILE 12 32.840 25.838 25.394 70 H THR 13 H THR 13 35.501 21.645 27.489 71 HA THR 13 HA THR 13 33.112 21.548 28.500 72 HB THR 13 HB THR 13 34.241 19.947 27.344 73 HG1 THR 13 HG1 THR 13 32.418 19.244 28.155 74 HG21 THR 13 HG21 THR 13 36.448 19.522 28.284 75 HG22 THR 13 HG22 THR 13 35.708 19.125 29.905 76 HG23 THR 13 HG23 THR 13 35.616 18.045 28.616 77 H THR 14 H THR 14 36.007 21.383 30.736 78 HA THR 14 HA THR 14 34.340 20.875 32.991 79 HB THR 14 HB THR 14 36.972 22.382 33.192 80 HG1 THR 14 HG1 THR 14 37.812 20.407 33.198 81 HG21 THR 14 HG21 THR 14 35.318 20.545 35.172 82 HG22 THR 14 HG22 THR 14 36.972 21.060 35.471 83 HG23 THR 14 HG23 THR 14 35.608 22.178 35.435 84 H LYS 15 H LYS 15 35.244 23.974 31.533 85 HA LYS 15 HA LYS 15 33.954 25.588 33.571 86 HB2 LYS 15 HB2 LYS 15 34.351 26.256 30.690 87 HB3 LYS 15 HB3 LYS 15 34.135 27.391 31.945 88 HG2 LYS 15 HG2 LYS 15 36.538 26.860 32.813 89 HG3 LYS 15 HG3 LYS 15 36.712 25.652 31.514 90 HD2 LYS 15 HD2 LYS 15 37.788 27.628 30.935 91 HD3 LYS 15 HD3 LYS 15 36.532 27.364 29.821 92 HE2 LYS 15 HE2 LYS 15 35.081 29.059 31.401 93 HE3 LYS 15 HE3 LYS 15 36.560 29.342 32.207 94 HZ1 LYS 15 HZ1 LYS 15 35.872 30.109 29.476 95 HZ2 LYS 15 HZ2 LYS 15 36.721 30.963 30.615 96 HZ3 LYS 15 HZ3 LYS 15 37.427 29.758 29.829 97 H ASP 16 H ASP 16 32.916 24.204 30.388 98 HA ASP 16 HA ASP 16 30.314 25.054 30.550 99 HB2 ASP 16 HB2 ASP 16 31.368 24.099 28.610 100 HB3 ASP 16 HB3 ASP 16 31.299 22.417 29.493 101 H LEU 17 H LEU 17 31.971 22.419 32.349 102 HA LEU 17 HA LEU 17 29.363 21.403 33.299 103 HB2 LEU 17 HB2 LEU 17 32.191 20.645 33.674 104 HB3 LEU 17 HB3 LEU 17 30.927 19.866 34.718 105 HG LEU 17 HG LEU 17 30.778 19.909 31.719 106 HD11 LEU 17 HD11 LEU 17 31.801 17.297 32.844 107 HD12 LEU 17 HD12 LEU 17 32.040 18.018 31.372 108 HD13 LEU 17 HD13 LEU 17 32.904 18.675 32.799 109 HD21 LEU 17 HD21 LEU 17 29.368 17.878 32.165 110 HD22 LEU 17 HD22 LEU 17 29.565 18.242 33.893 111 HD23 LEU 17 HD23 LEU 17 28.677 19.384 32.977 112 H LYS 18 H LYS 18 31.588 23.874 34.557 113 HA LYS 18 HA LYS 18 29.898 24.111 36.954 114 HB2 LYS 18 HB2 LYS 18 31.751 26.017 35.362 115 HB3 LYS 18 HB3 LYS 18 30.935 26.471 36.839 116 HG2 LYS 18 HG2 LYS 18 32.916 26.233 37.706 117 HG3 LYS 18 HG3 LYS 18 32.061 24.854 38.232 118 HD2 LYS 18 HD2 LYS 18 33.187 23.488 36.401 119 HD3 LYS 18 HD3 LYS 18 34.179 24.928 35.999 120 HE2 LYS 18 HE2 LYS 18 34.102 23.351 38.737 121 HE3 LYS 18 HE3 LYS 18 35.431 23.295 37.534 122 HZ1 LYS 18 HZ1 LYS 18 34.610 25.395 39.454 123 HZ2 LYS 18 HZ2 LYS 18 36.071 24.661 39.173 124 HZ3 LYS 18 HZ3 LYS 18 35.646 25.745 38.266 125 H GLU 19 H GLU 19 29.447 24.882 33.584 126 HA GLU 19 HA GLU 19 27.246 26.691 34.238 127 HB2 GLU 19 HB2 GLU 19 28.589 26.576 31.919 128 HB3 GLU 19 HB3 GLU 19 27.790 25.041 31.733 129 HG2 GLU 19 HG2 GLU 19 25.664 26.093 32.195 130 HG3 GLU 19 HG3 GLU 19 26.410 27.680 32.353 131 H LYS 20 H LYS 20 27.637 23.356 33.457 132 HA LYS 20 HA LYS 20 24.862 22.721 33.574 133 HB2 LYS 20 HB2 LYS 20 27.160 20.787 33.816 134 HB3 LYS 20 HB3 LYS 20 25.596 20.188 33.642 135 HG2 LYS 20 HG2 LYS 20 27.083 21.805 31.523 136 HG3 LYS 20 HG3 LYS 20 26.727 20.108 31.572 137 HD2 LYS 20 HD2 LYS 20 24.239 20.561 31.437 138 HD3 LYS 20 HD3 LYS 20 24.585 22.255 31.342 139 HE2 LYS 20 HE2 LYS 20 25.422 20.173 29.202 140 HE3 LYS 20 HE3 LYS 20 24.213 21.521 29.190 141 HZ1 LYS 20 HZ1 LYS 20 25.914 23.107 29.197 142 HZ2 LYS 20 HZ2 LYS 20 27.105 22.007 29.367 143 HZ3 LYS 20 HZ3 LYS 20 26.356 22.074 27.976 144 H LYS 21 H LYS 21 26.993 22.802 36.144 145 HA LYS 21 HA LYS 21 25.252 21.423 38.072 146 HB2 LYS 21 HB2 LYS 21 28.024 22.774 38.356 147 HB3 LYS 21 HB3 LYS 21 27.200 22.214 39.697 148 HG2 LYS 21 HG2 LYS 21 27.104 19.924 38.734 149 HG3 LYS 21 HG3 LYS 21 28.004 20.451 37.324 150 HD2 LYS 21 HD2 LYS 21 29.952 21.043 38.673 151 HD3 LYS 21 HD3 LYS 21 28.933 20.651 40.143 152 HE2 LYS 21 HE2 LYS 21 29.746 18.753 37.960 153 HE3 LYS 21 HE3 LYS 21 30.600 18.958 39.467 154 HZ1 LYS 21 HZ1 LYS 21 29.100 17.059 39.715 155 HZ2 LYS 21 HZ2 LYS 21 28.443 18.188 40.588 156 HZ3 LYS 21 HZ3 LYS 21 27.775 17.876 39.156 157 H GLU 22 H GLU 22 25.679 24.618 36.961 158 HA GLU 22 HA GLU 22 25.008 25.800 39.612 159 HB2 GLU 22 HB2 GLU 22 27.009 26.706 38.433 160 HB3 GLU 22 HB3 GLU 22 25.967 27.241 37.127 161 HG2 GLU 22 HG2 GLU 22 24.698 28.608 38.693 162 HG3 GLU 22 HG3 GLU 22 25.542 28.133 40.141 163 H VAL 23 H VAL 23 24.276 25.844 36.136 164 HA VAL 23 HA VAL 23 21.537 26.906 35.987 165 HB VAL 23 HB VAL 23 23.160 26.147 34.068 166 HG11 VAL 23 HG11 VAL 23 23.359 23.847 34.769 167 HG12 VAL 23 HG12 VAL 23 21.719 23.493 34.423 168 HG13 VAL 23 HG13 VAL 23 22.881 24.173 33.082 169 HG21 VAL 23 HG21 VAL 23 21.359 26.130 32.619 170 HG22 VAL 23 HG22 VAL 23 20.336 25.395 33.868 171 HG23 VAL 23 HG23 VAL 23 20.852 27.167 33.884 172 H VAL 24 H VAL 24 22.913 23.835 36.837 173 HA VAL 24 HA VAL 24 20.231 22.709 37.047 174 HB VAL 24 HB VAL 24 22.355 21.306 36.725 175 HG11 VAL 24 HG11 VAL 24 22.755 19.601 38.339 176 HG12 VAL 24 HG12 VAL 24 23.125 21.202 38.948 177 HG13 VAL 24 HG13 VAL 24 21.656 20.330 39.500 178 HG21 VAL 24 HG21 VAL 24 19.968 19.852 37.953 179 HG22 VAL 24 HG22 VAL 24 19.982 20.552 36.318 180 HG23 VAL 24 HG23 VAL 24 21.175 19.340 36.683 181 H GLU 25 H GLU 25 22.394 23.790 39.565 182 HA GLU 25 HA GLU 25 20.755 23.336 41.929 183 HB2 GLU 25 HB2 GLU 25 23.151 24.106 42.098 184 HB3 GLU 25 HB3 GLU 25 22.738 25.451 41.015 185 HG2 GLU 25 HG2 GLU 25 21.479 26.605 42.557 186 HG3 GLU 25 HG3 GLU 25 21.466 25.197 43.662 187 H GLU 26 H GLU 26 21.053 25.920 39.638 188 HA GLU 26 HA GLU 26 18.649 27.567 40.412 189 HB2 GLU 26 HB2 GLU 26 20.687 27.892 38.287 190 HB3 GLU 26 HB3 GLU 26 19.032 27.717 37.503 191 HG2 GLU 26 HG2 GLU 26 18.277 29.425 39.096 192 HG3 GLU 26 HG3 GLU 26 19.931 29.748 39.508 193 H ALA 27 H ALA 27 18.824 24.950 38.122 194 HA ALA 27 HA ALA 27 16.055 25.048 37.581 195 HB1 ALA 27 HB1 ALA 27 17.621 24.000 36.170 196 HB2 ALA 27 HB2 ALA 27 17.768 22.621 37.273 197 HB3 ALA 27 HB3 ALA 27 16.224 22.872 36.461 198 H GLU 28 H GLU 28 17.559 23.983 40.523 199 HA GLU 28 HA GLU 28 15.414 22.218 41.374 200 HB2 GLU 28 HB2 GLU 28 17.809 21.856 41.980 201 HB3 GLU 28 HB3 GLU 28 17.562 23.345 42.921 202 HG2 GLU 28 HG2 GLU 28 16.257 22.196 44.584 203 HG3 GLU 28 HG3 GLU 28 15.603 21.174 43.366 204 H ASN 29 H ASN 29 16.054 25.599 41.204 205 HA ASN 29 HA ASN 29 14.758 26.747 43.600 206 HB2 ASN 29 HB2 ASN 29 16.498 27.891 41.993 207 HB3 ASN 29 HB3 ASN 29 15.139 28.052 40.881 208 HD21 ASN 29 HD22 ASN 29 12.968 29.182 41.998 209 HD22 ASN 29 HD21 ASN 29 13.459 30.417 43.139 Start of MODEL 10 1 H1 ACE 1 HH32 ACE 1 35.600 12.317 16.364 2 H2 ACE 1 HH33 ACE 1 34.772 11.660 15.061 3 H3 ACE 1 HH31 ACE 1 36.046 12.850 14.714 4 H SER 2 H SER 2 33.206 12.703 16.912 5 HA SER 2 HA SER 2 31.721 14.746 15.835 6 HB2 SER 2 HB2 SER 2 31.732 13.940 18.716 7 HB3 SER 2 HB3 SER 2 30.391 14.694 17.960 8 HG SER 2 HG SER 2 29.994 12.459 17.926 9 H ASP 3 H ASP 3 34.216 14.988 18.411 10 HA ASP 3 HA ASP 3 33.512 17.609 19.109 11 HB2 ASP 3 HB2 ASP 3 34.695 15.633 20.485 12 HB3 ASP 3 HB3 ASP 3 36.174 16.275 19.846 13 H ALA 4 H ALA 4 35.373 16.521 16.515 14 HA ALA 4 HA ALA 4 37.257 18.741 16.185 15 HB1 ALA 4 HB1 ALA 4 37.804 16.416 15.498 16 HB2 ALA 4 HB2 ALA 4 36.528 16.625 14.227 17 HB3 ALA 4 HB3 ALA 4 37.992 17.628 14.242 18 H ALA 5 H ALA 5 33.929 17.947 15.427 19 HA ALA 5 HA ALA 5 33.692 20.519 13.962 20 HB1 ALA 5 HB1 ALA 5 32.304 18.695 13.047 21 HB2 ALA 5 HB2 ALA 5 31.786 18.250 14.708 22 HB3 ALA 5 HB3 ALA 5 31.221 19.759 13.941 23 H VAL 6 H VAL 6 34.258 20.125 17.236 24 HA VAL 6 HA VAL 6 32.400 22.375 17.898 25 HB VAL 6 HB VAL 6 33.121 20.145 19.855 26 HG11 VAL 6 HG11 VAL 6 32.431 22.113 21.043 27 HG12 VAL 6 HG12 VAL 6 31.033 22.327 19.793 28 HG13 VAL 6 HG13 VAL 6 31.183 21.101 21.077 29 HG21 VAL 6 HG21 VAL 6 30.564 20.555 18.163 30 HG22 VAL 6 HG22 VAL 6 31.578 19.164 17.927 31 HG23 VAL 6 HG23 VAL 6 30.738 19.499 19.487 32 H ASP 7 H ASP 7 35.502 21.766 17.179 33 HA ASP 7 HA ASP 7 37.531 22.455 17.614 34 HB2 ASP 7 HB2 ASP 7 36.341 24.474 17.376 35 HB3 ASP 7 HB3 ASP 7 36.282 24.821 19.071 36 H THR 8 H THR 8 37.229 20.449 18.874 37 HA THR 8 HA THR 8 37.163 19.080 20.859 38 HB THR 8 HB THR 8 39.856 20.523 21.276 39 HG1 THR 8 HG1 THR 8 39.712 19.882 19.165 40 HG21 THR 8 HG21 THR 8 39.262 18.873 23.042 41 HG22 THR 8 HG22 THR 8 39.190 17.552 21.799 42 HG23 THR 8 HG23 THR 8 40.651 18.446 22.065 43 H SER 9 H SER 9 35.339 20.124 21.725 44 HA SER 9 HA SER 9 35.622 21.890 23.947 45 HB2 SER 9 HB2 SER 9 33.333 21.284 24.515 46 HB3 SER 9 HB3 SER 9 33.467 21.271 22.728 47 HG SER 9 HG SER 9 33.759 18.955 22.847 48 H SER 10 H SER 10 36.607 18.584 23.643 49 HA SER 10 HA SER 10 36.336 17.694 26.345 50 HB2 SER 10 HB2 SER 10 38.388 16.817 24.107 51 HB3 SER 10 HB3 SER 10 37.900 15.923 25.556 52 HG SER 10 HG SER 10 36.482 16.717 23.411 53 H GLU 11 H GLU 11 38.405 20.195 25.104 54 HA GLU 11 HA GLU 11 40.260 20.060 27.491 55 HB2 GLU 11 HB2 GLU 11 40.143 22.251 25.436 56 HB3 GLU 11 HB3 GLU 11 41.231 22.030 26.769 57 HG2 GLU 11 HG2 GLU 11 41.949 19.753 25.916 58 HG3 GLU 11 HG3 GLU 11 41.326 20.241 24.431 59 H ILE 12 H ILE 12 37.750 22.189 26.478 60 HA ILE 12 HA ILE 12 38.065 23.609 28.997 61 HB ILE 12 HB ILE 12 36.451 25.188 28.112 62 HG12 ILE 12 HG12 ILE 12 36.491 23.539 25.497 63 HG13 ILE 12 HG13 ILE 12 35.232 23.347 26.613 64 HG21 ILE 12 HG21 ILE 12 38.951 25.322 27.544 65 HG22 ILE 12 HG22 ILE 12 38.604 24.782 26.006 66 HG23 ILE 12 HG23 ILE 12 37.837 26.311 26.510 67 HD11 ILE 12 HD11 ILE 12 34.690 24.961 24.774 68 HD12 ILE 12 HD12 ILE 12 34.450 25.646 26.444 69 HD13 ILE 12 HD13 ILE 12 35.738 26.152 25.471 70 H THR 13 H THR 13 36.136 21.089 27.987 71 HA THR 13 HA THR 13 33.620 21.598 28.912 72 HB THR 13 HB THR 13 34.121 19.613 27.790 73 HG1 THR 13 HG1 THR 13 32.626 19.601 29.837 74 HG21 THR 13 HG21 THR 13 35.843 19.238 30.122 75 HG22 THR 13 HG22 THR 13 35.376 17.769 29.382 76 HG23 THR 13 HG23 THR 13 36.413 19.041 28.499 77 H THR 14 H THR 14 36.077 21.294 31.297 78 HA THR 14 HA THR 14 34.044 20.854 33.288 79 HB THR 14 HB THR 14 36.815 22.221 33.746 80 HG1 THR 14 HG1 THR 14 37.535 20.593 32.954 81 HG21 THR 14 HG21 THR 14 35.080 22.051 35.607 82 HG22 THR 14 HG22 THR 14 35.153 20.357 35.493 83 HG23 THR 14 HG23 THR 14 36.636 21.127 35.993 84 H LYS 15 H LYS 15 35.325 23.604 31.768 85 HA LYS 15 HA LYS 15 34.072 25.513 33.464 86 HB2 LYS 15 HB2 LYS 15 34.807 25.991 30.580 87 HB3 LYS 15 HB3 LYS 15 34.459 27.164 31.961 88 HG2 LYS 15 HG2 LYS 15 36.442 26.456 33.107 89 HG3 LYS 15 HG3 LYS 15 36.901 25.363 31.823 90 HD2 LYS 15 HD2 LYS 15 38.118 27.641 31.613 91 HD3 LYS 15 HD3 LYS 15 37.183 27.176 30.219 92 HE2 LYS 15 HE2 LYS 15 35.516 28.746 30.668 93 HE3 LYS 15 HE3 LYS 15 35.899 28.847 32.372 94 HZ1 LYS 15 HZ1 LYS 15 38.000 29.835 32.046 95 HZ2 LYS 15 HZ2 LYS 15 37.861 29.857 30.476 96 HZ3 LYS 15 HZ3 LYS 15 36.849 30.750 31.442 97 H ASP 16 H ASP 16 32.989 24.111 30.404 98 HA ASP 16 HA ASP 16 30.379 25.213 30.665 99 HB2 ASP 16 HB2 ASP 16 31.624 24.150 28.616 100 HB3 ASP 16 HB3 ASP 16 31.331 22.592 29.370 101 H LEU 17 H LEU 17 31.818 22.452 32.353 102 HA LEU 17 HA LEU 17 29.010 21.360 32.844 103 HB2 LEU 17 HB2 LEU 17 31.851 20.383 33.573 104 HB3 LEU 17 HB3 LEU 17 30.478 19.846 34.395 105 HG LEU 17 HG LEU 17 30.897 19.874 31.327 106 HD11 LEU 17 HD11 LEU 17 32.522 18.662 32.273 107 HD12 LEU 17 HD12 LEU 17 31.285 17.678 33.301 108 HD13 LEU 17 HD13 LEU 17 31.585 17.561 31.497 109 HD21 LEU 17 HD21 LEU 17 29.167 18.067 31.318 110 HD22 LEU 17 HD22 LEU 17 28.941 18.241 33.104 111 HD23 LEU 17 HD23 LEU 17 28.452 19.568 31.966 112 H LYS 18 H LYS 18 31.477 23.516 34.355 113 HA LYS 18 HA LYS 18 29.983 23.605 36.803 114 HB2 LYS 18 HB2 LYS 18 32.128 25.312 35.533 115 HB3 LYS 18 HB3 LYS 18 31.045 26.196 36.545 116 HG2 LYS 18 HG2 LYS 18 32.882 25.860 37.826 117 HG3 LYS 18 HG3 LYS 18 31.922 24.442 38.379 118 HD2 LYS 18 HD2 LYS 18 33.052 23.005 36.770 119 HD3 LYS 18 HD3 LYS 18 34.175 24.269 36.400 120 HE2 LYS 18 HE2 LYS 18 33.805 22.787 39.054 121 HE3 LYS 18 HE3 LYS 18 35.245 22.948 38.015 122 HZ1 LYS 18 HZ1 LYS 18 35.445 24.372 39.989 123 HZ2 LYS 18 HZ2 LYS 18 35.356 25.292 38.773 124 HZ3 LYS 18 HZ3 LYS 18 34.044 25.117 39.662 125 H GLU 19 H GLU 19 29.569 25.022 33.600 126 HA GLU 19 HA GLU 19 27.485 26.702 34.597 127 HB2 GLU 19 HB2 GLU 19 28.652 26.234 32.100 128 HB3 GLU 19 HB3 GLU 19 27.050 25.396 31.905 129 HG2 GLU 19 HG2 GLU 19 26.051 27.598 32.690 130 HG3 GLU 19 HG3 GLU 19 27.658 28.218 32.837 131 H LYS 20 H LYS 20 27.447 23.404 33.173 132 HA LYS 20 HA LYS 20 24.671 22.966 33.501 133 HB2 LYS 20 HB2 LYS 20 26.879 20.723 33.602 134 HB3 LYS 20 HB3 LYS 20 25.130 20.573 33.265 135 HG2 LYS 20 HG2 LYS 20 27.100 22.132 31.541 136 HG3 LYS 20 HG3 LYS 20 26.435 20.418 31.369 137 HD2 LYS 20 HD2 LYS 20 24.149 21.521 31.622 138 HD3 LYS 20 HD3 LYS 20 24.891 23.052 31.215 139 HE2 LYS 20 HE2 LYS 20 24.639 20.567 29.646 140 HE3 LYS 20 HE3 LYS 20 23.878 22.005 29.286 141 HZ1 LYS 20 HZ1 LYS 20 26.307 22.984 29.014 142 HZ2 LYS 20 HZ2 LYS 20 26.805 21.510 29.112 143 HZ3 LYS 20 HZ3 LYS 20 25.842 21.959 27.853 144 H LYS 21 H LYS 21 26.816 23.233 36.011 145 HA LYS 21 HA LYS 21 25.280 21.767 38.036 146 HB2 LYS 21 HB2 LYS 21 27.935 22.920 38.089 147 HB3 LYS 21 HB3 LYS 21 27.190 22.405 39.555 148 HG2 LYS 21 HG2 LYS 21 27.988 20.571 37.221 149 HG3 LYS 21 HG3 LYS 21 28.586 20.577 38.817 150 HD2 LYS 21 HD2 LYS 21 26.356 19.878 39.731 151 HD3 LYS 21 HD3 LYS 21 25.821 19.611 38.136 152 HE2 LYS 21 HE2 LYS 21 27.725 18.053 37.773 153 HE3 LYS 21 HE3 LYS 21 28.361 18.593 39.374 154 HZ1 LYS 21 HZ1 LYS 21 26.645 17.560 40.485 155 HZ2 LYS 21 HZ2 LYS 21 25.655 17.283 39.148 156 HZ3 LYS 21 HZ3 LYS 21 27.058 16.461 39.417 157 H GLU 22 H GLU 22 25.752 24.829 36.885 158 HA GLU 22 HA GLU 22 24.979 26.550 39.273 159 HB2 GLU 22 HB2 GLU 22 26.848 27.184 37.466 160 HB3 GLU 22 HB3 GLU 22 25.402 27.963 36.780 161 HG2 GLU 22 HG2 GLU 22 25.050 29.054 38.956 162 HG3 GLU 22 HG3 GLU 22 26.587 28.359 39.526 163 H VAL 23 H VAL 23 24.115 25.806 35.787 164 HA VAL 23 HA VAL 23 21.402 26.981 35.817 165 HB VAL 23 HB VAL 23 22.904 26.095 33.898 166 HG11 VAL 23 HG11 VAL 23 23.295 23.967 34.521 167 HG12 VAL 23 HG12 VAL 23 21.529 23.508 34.157 168 HG13 VAL 23 HG13 VAL 23 22.574 24.194 32.939 169 HG21 VAL 23 HG21 VAL 23 20.508 27.069 33.719 170 HG22 VAL 23 HG22 VAL 23 20.985 25.716 32.524 171 HG23 VAL 23 HG23 VAL 23 20.011 25.441 34.067 172 H VAL 24 H VAL 24 22.804 23.786 36.509 173 HA VAL 24 HA VAL 24 20.047 22.784 37.145 174 HB VAL 24 HB VAL 24 21.979 21.227 36.205 175 HG11 VAL 24 HG11 VAL 24 23.408 20.329 37.493 176 HG12 VAL 24 HG12 VAL 24 23.045 21.691 38.603 177 HG13 VAL 24 HG13 VAL 24 22.254 20.064 38.860 178 HG21 VAL 24 HG21 VAL 24 20.717 19.280 37.039 179 HG22 VAL 24 HG22 VAL 24 19.756 20.458 38.061 180 HG23 VAL 24 HG23 VAL 24 19.747 20.500 36.304 181 H GLU 25 H GLU 25 22.421 24.356 39.190 182 HA GLU 25 HA GLU 25 20.881 23.742 41.638 183 HB2 GLU 25 HB2 GLU 25 23.230 24.152 41.769 184 HB3 GLU 25 HB3 GLU 25 23.044 25.753 41.066 185 HG2 GLU 25 HG2 GLU 25 21.703 26.572 42.893 186 HG3 GLU 25 HG3 GLU 25 21.625 24.897 43.558 187 H GLU 26 H GLU 26 20.619 26.272 39.145 188 HA GLU 26 HA GLU 26 18.529 27.693 40.558 189 HB2 GLU 26 HB2 GLU 26 20.177 28.862 39.124 190 HB3 GLU 26 HB3 GLU 26 19.786 27.830 37.798 191 HG2 GLU 26 HG2 GLU 26 17.436 28.993 37.786 192 HG3 GLU 26 HG3 GLU 26 18.020 29.944 39.071 193 H ALA 27 H ALA 27 18.641 24.961 38.434 194 HA ALA 27 HA ALA 27 15.853 24.929 37.671 195 HB1 ALA 27 HB1 ALA 27 17.751 23.931 36.386 196 HB2 ALA 27 HB2 ALA 27 17.818 22.654 37.578 197 HB3 ALA 27 HB3 ALA 27 16.307 22.998 36.562 198 H GLU 28 H GLU 28 17.662 23.539 40.371 199 HA GLU 28 HA GLU 28 15.402 21.832 41.314 200 HB2 GLU 28 HB2 GLU 28 17.871 21.338 41.670 201 HB3 GLU 28 HB3 GLU 28 17.979 22.780 42.689 202 HG2 GLU 28 HG2 GLU 28 16.604 21.763 44.394 203 HG3 GLU 28 HG3 GLU 28 16.275 20.331 43.476 204 H ASN 29 H ASN 29 16.348 25.056 41.505 205 HA ASN 29 HA ASN 29 15.622 25.908 44.121 206 HB2 ASN 29 HB2 ASN 29 17.217 26.943 42.724 207 HB3 ASN 29 HB3 ASN 29 16.143 27.609 41.678 208 HD21 ASN 29 HD22 ASN 29 17.646 29.391 42.902 209 HD22 ASN 29 HD21 ASN 29 17.147 29.979 44.430 Start of MODEL 11 1 H1 ACE 1 HH32 ACE 1 38.976 12.809 15.639 2 H2 ACE 1 HH33 ACE 1 37.604 12.042 16.375 3 H3 ACE 1 HH31 ACE 1 37.534 12.068 14.660 4 H SER 2 H SER 2 36.227 13.717 17.380 5 HA SER 2 HA SER 2 35.198 15.465 15.306 6 HB2 SER 2 HB2 SER 2 33.919 14.324 17.809 7 HB3 SER 2 HB3 SER 2 33.081 15.534 16.886 8 HG SER 2 HG SER 2 32.608 13.395 16.264 9 H ASP 3 H ASP 3 37.102 15.725 18.152 10 HA ASP 3 HA ASP 3 35.922 17.979 19.383 11 HB2 ASP 3 HB2 ASP 3 37.384 16.183 20.271 12 HB3 ASP 3 HB3 ASP 3 38.714 17.239 19.737 13 H ALA 4 H ALA 4 37.758 18.098 16.360 14 HA ALA 4 HA ALA 4 38.539 20.876 17.071 15 HB1 ALA 4 HB1 ALA 4 40.152 19.370 15.666 16 HB2 ALA 4 HB2 ALA 4 38.855 19.418 14.410 17 HB3 ALA 4 HB3 ALA 4 39.707 20.865 14.850 18 H ALA 5 H ALA 5 36.023 19.114 15.170 19 HA ALA 5 HA ALA 5 34.836 21.509 14.115 20 HB1 ALA 5 HB1 ALA 5 32.876 20.053 13.843 21 HB2 ALA 5 HB2 ALA 5 34.335 19.154 13.379 22 HB3 ALA 5 HB3 ALA 5 33.461 18.848 14.942 23 H VAL 6 H VAL 6 34.518 19.746 17.221 24 HA VAL 6 HA VAL 6 32.664 21.722 18.464 25 HB VAL 6 HB VAL 6 34.229 19.532 19.771 26 HG11 VAL 6 HG11 VAL 6 31.238 20.230 20.216 27 HG12 VAL 6 HG12 VAL 6 32.113 19.136 21.122 28 HG13 VAL 6 HG13 VAL 6 32.644 20.794 21.323 29 HG21 VAL 6 HG21 VAL 6 32.085 18.098 19.183 30 HG22 VAL 6 HG22 VAL 6 32.011 19.251 17.736 31 HG23 VAL 6 HG23 VAL 6 33.267 18.171 18.058 32 H ASP 7 H ASP 7 35.299 22.563 17.516 33 HA ASP 7 HA ASP 7 37.075 23.792 17.866 34 HB2 ASP 7 HB2 ASP 7 34.965 25.101 17.871 35 HB3 ASP 7 HB3 ASP 7 35.258 25.320 19.599 36 H THR 8 H THR 8 37.582 21.796 19.299 37 HA THR 8 HA THR 8 38.839 20.774 20.859 38 HB THR 8 HB THR 8 40.119 23.428 21.598 39 HG1 THR 8 HG1 THR 8 40.228 23.273 19.361 40 HG21 THR 8 HG21 THR 8 41.375 20.738 21.118 41 HG22 THR 8 HG22 THR 8 42.168 21.977 21.982 42 HG23 THR 8 HG23 THR 8 40.824 21.146 22.752 43 H SER 9 H SER 9 36.579 20.668 21.727 44 HA SER 9 HA SER 9 35.751 22.219 23.920 45 HB2 SER 9 HB2 SER 9 33.965 20.800 24.352 46 HB3 SER 9 HB3 SER 9 34.103 21.145 22.707 47 HG SER 9 HG SER 9 35.233 18.999 22.649 48 H SER 10 H SER 10 37.724 19.278 23.824 49 HA SER 10 HA SER 10 37.633 18.608 26.518 50 HB2 SER 10 HB2 SER 10 40.034 18.181 24.677 51 HB3 SER 10 HB3 SER 10 39.663 17.330 26.265 52 HG SER 10 HG SER 10 38.313 17.203 23.813 53 H GLU 11 H GLU 11 39.400 21.406 25.252 54 HA GLU 11 HA GLU 11 40.879 22.034 27.692 55 HB2 GLU 11 HB2 GLU 11 39.854 23.723 25.383 56 HB3 GLU 11 HB3 GLU 11 40.874 24.261 26.596 57 HG2 GLU 11 HG2 GLU 11 42.662 22.507 25.834 58 HG3 GLU 11 HG3 GLU 11 41.650 22.232 24.408 59 H ILE 12 H ILE 12 37.698 23.047 26.437 60 HA ILE 12 HA ILE 12 37.429 24.577 28.844 61 HB ILE 12 HB ILE 12 35.252 25.308 27.867 62 HG12 ILE 12 HG12 ILE 12 35.907 23.749 25.399 63 HG13 ILE 12 HG13 ILE 12 34.953 23.074 26.656 64 HG21 ILE 12 HG21 ILE 12 36.076 26.873 26.297 65 HG22 ILE 12 HG22 ILE 12 37.299 26.596 27.653 66 HG23 ILE 12 HG23 ILE 12 37.569 26.039 26.004 67 HD11 ILE 12 HD11 ILE 12 34.304 25.489 25.115 68 HD12 ILE 12 HD12 ILE 12 33.372 24.018 25.046 69 HD13 ILE 12 HD13 ILE 12 33.425 25.036 26.575 70 H THR 13 H THR 13 36.331 21.585 28.020 71 HA THR 13 HA THR 13 33.799 21.069 28.941 72 HB THR 13 HB THR 13 34.732 19.327 28.166 73 HG1 THR 13 HG1 THR 13 34.297 17.817 29.510 74 HG21 THR 13 HG21 THR 13 36.748 18.128 29.208 75 HG22 THR 13 HG22 THR 13 37.179 19.721 28.683 76 HG23 THR 13 HG23 THR 13 36.785 19.507 30.407 77 H THR 14 H THR 14 36.418 21.526 31.486 78 HA THR 14 HA THR 14 34.842 21.000 33.697 79 HB THR 14 HB THR 14 37.068 22.874 33.269 80 HG1 THR 14 HG1 THR 14 37.741 20.817 33.250 81 HG21 THR 14 HG21 THR 14 36.301 23.926 35.086 82 HG22 THR 14 HG22 THR 14 35.332 22.609 35.584 83 HG23 THR 14 HG23 THR 14 37.016 22.552 36.047 84 H LYS 15 H LYS 15 35.291 24.176 31.758 85 HA LYS 15 HA LYS 15 33.671 25.763 33.439 86 HB2 LYS 15 HB2 LYS 15 34.425 25.874 30.519 87 HB3 LYS 15 HB3 LYS 15 33.593 27.215 31.433 88 HG2 LYS 15 HG2 LYS 15 35.715 27.628 32.601 89 HG3 LYS 15 HG3 LYS 15 36.332 26.043 31.904 90 HD2 LYS 15 HD2 LYS 15 35.912 27.271 29.562 91 HD3 LYS 15 HD3 LYS 15 35.612 28.716 30.507 92 HE2 LYS 15 HE2 LYS 15 37.685 28.645 31.661 93 HE3 LYS 15 HE3 LYS 15 38.312 27.314 30.639 94 HZ1 LYS 15 HZ1 LYS 15 37.695 29.133 28.832 95 HZ2 LYS 15 HZ2 LYS 15 37.814 30.118 30.147 96 HZ3 LYS 15 HZ3 LYS 15 39.092 29.336 29.612 97 H ASP 16 H ASP 16 33.010 24.024 30.442 98 HA ASP 16 HA ASP 16 30.196 24.533 30.449 99 HB2 ASP 16 HB2 ASP 16 31.404 23.499 28.523 100 HB3 ASP 16 HB3 ASP 16 31.616 22.064 29.528 101 H LEU 17 H LEU 17 31.965 22.044 32.481 102 HA LEU 17 HA LEU 17 29.347 21.012 33.264 103 HB2 LEU 17 HB2 LEU 17 32.161 20.357 34.159 104 HB3 LEU 17 HB3 LEU 17 30.677 19.968 35.022 105 HG LEU 17 HG LEU 17 30.967 19.313 32.129 106 HD11 LEU 17 HD11 LEU 17 31.737 17.572 34.567 107 HD12 LEU 17 HD12 LEU 17 31.590 17.049 32.869 108 HD13 LEU 17 HD13 LEU 17 32.850 18.267 33.307 109 HD21 LEU 17 HD21 LEU 17 29.224 17.486 32.910 110 HD22 LEU 17 HD22 LEU 17 29.258 18.178 34.503 111 HD23 LEU 17 HD23 LEU 17 28.558 19.078 33.140 112 H LYS 18 H LYS 18 31.244 23.636 34.375 113 HA LYS 18 HA LYS 18 29.652 23.795 36.820 114 HB2 LYS 18 HB2 LYS 18 31.784 25.575 35.765 115 HB3 LYS 18 HB3 LYS 18 30.696 26.156 36.930 116 HG2 LYS 18 HG2 LYS 18 32.320 25.484 38.144 117 HG3 LYS 18 HG3 LYS 18 30.957 24.383 38.502 118 HD2 LYS 18 HD2 LYS 18 31.877 22.536 37.398 119 HD3 LYS 18 HD3 LYS 18 33.040 23.466 36.443 120 HE2 LYS 18 HE2 LYS 18 34.133 22.188 37.942 121 HE3 LYS 18 HE3 LYS 18 34.414 23.977 38.228 122 HZ1 LYS 18 HZ1 LYS 18 34.065 22.228 40.130 123 HZ2 LYS 18 HZ2 LYS 18 33.172 23.556 40.319 124 HZ3 LYS 18 HZ3 LYS 18 32.576 22.148 39.658 125 H GLU 19 H GLU 19 29.374 24.726 33.589 126 HA GLU 19 HA GLU 19 27.278 26.706 33.824 127 HB2 GLU 19 HB2 GLU 19 28.590 25.721 31.537 128 HB3 GLU 19 HB3 GLU 19 27.367 24.481 31.706 129 HG2 GLU 19 HG2 GLU 19 25.677 26.535 31.861 130 HG3 GLU 19 HG3 GLU 19 27.051 27.440 31.360 131 H LYS 20 H LYS 20 27.559 23.257 33.290 132 HA LYS 20 HA LYS 20 24.772 22.705 33.302 133 HB2 LYS 20 HB2 LYS 20 27.122 20.974 33.601 134 HB3 LYS 20 HB3 LYS 20 25.491 20.366 33.451 135 HG2 LYS 20 HG2 LYS 20 27.159 21.753 31.259 136 HG3 LYS 20 HG3 LYS 20 26.412 20.155 31.248 137 HD2 LYS 20 HD2 LYS 20 24.331 20.853 31.284 138 HD3 LYS 20 HD3 LYS 20 24.736 22.632 31.082 139 HE2 LYS 20 HE2 LYS 20 25.646 20.486 29.237 140 HE3 LYS 20 HE3 LYS 20 24.358 21.500 28.803 141 HZ1 LYS 20 HZ1 LYS 20 26.132 23.336 29.252 142 HZ2 LYS 20 HZ2 LYS 20 27.226 22.208 29.216 143 HZ3 LYS 20 HZ3 LYS 20 26.291 22.476 27.860 144 H LYS 21 H LYS 21 26.678 23.023 36.064 145 HA LYS 21 HA LYS 21 24.836 21.675 37.958 146 HB2 LYS 21 HB2 LYS 21 27.640 22.722 38.329 147 HB3 LYS 21 HB3 LYS 21 26.735 22.021 39.581 148 HG2 LYS 21 HG2 LYS 21 26.578 19.779 38.585 149 HG3 LYS 21 HG3 LYS 21 27.486 20.286 37.235 150 HD2 LYS 21 HD2 LYS 21 29.399 20.896 38.788 151 HD3 LYS 21 HD3 LYS 21 28.451 20.305 40.099 152 HE2 LYS 21 HE2 LYS 21 28.918 18.553 37.619 153 HE3 LYS 21 HE3 LYS 21 30.142 18.755 38.869 154 HZ1 LYS 21 HZ1 LYS 21 27.373 17.815 39.347 155 HZ2 LYS 21 HZ2 LYS 21 28.597 16.766 38.971 156 HZ3 LYS 21 HZ3 LYS 21 28.650 17.635 40.348 157 H GLU 22 H GLU 22 25.441 24.751 36.622 158 HA GLU 22 HA GLU 22 24.878 26.128 39.256 159 HB2 GLU 22 HB2 GLU 22 26.919 26.900 38.479 160 HB3 GLU 22 HB3 GLU 22 26.187 27.364 36.845 161 HG2 GLU 22 HG2 GLU 22 26.110 29.396 37.910 162 HG3 GLU 22 HG3 GLU 22 24.609 28.804 38.381 163 H VAL 23 H VAL 23 24.222 25.945 35.808 164 HA VAL 23 HA VAL 23 21.671 27.184 35.485 165 HB VAL 23 HB VAL 23 23.210 26.134 33.688 166 HG11 VAL 23 HG11 VAL 23 23.286 23.859 34.672 167 HG12 VAL 23 HG12 VAL 23 21.837 23.450 33.947 168 HG13 VAL 23 HG13 VAL 23 23.178 24.007 32.911 169 HG21 VAL 23 HG21 VAL 23 21.076 27.021 33.169 170 HG22 VAL 23 HG22 VAL 23 21.442 25.576 32.152 171 HG23 VAL 23 HG23 VAL 23 20.300 25.478 33.496 172 H VAL 24 H VAL 24 22.666 24.056 36.614 173 HA VAL 24 HA VAL 24 19.892 23.234 36.943 174 HB VAL 24 HB VAL 24 22.070 21.870 36.158 175 HG11 VAL 24 HG11 VAL 24 22.731 20.107 37.483 176 HG12 VAL 24 HG12 VAL 24 22.948 21.668 38.369 177 HG13 VAL 24 HG13 VAL 24 21.588 20.559 38.740 178 HG21 VAL 24 HG21 VAL 24 19.439 20.733 37.027 179 HG22 VAL 24 HG22 VAL 24 19.894 21.362 35.541 180 HG23 VAL 24 HG23 VAL 24 20.627 19.784 36.216 181 H GLU 25 H GLU 25 22.133 24.480 39.109 182 HA GLU 25 HA GLU 25 20.770 23.581 41.626 183 HB2 GLU 25 HB2 GLU 25 23.047 24.047 41.784 184 HB3 GLU 25 HB3 GLU 25 22.909 25.725 41.301 185 HG2 GLU 25 HG2 GLU 25 21.626 26.249 43.259 186 HG3 GLU 25 HG3 GLU 25 21.410 24.532 43.666 187 H GLU 26 H GLU 26 20.707 26.274 39.384 188 HA GLU 26 HA GLU 26 18.598 27.835 40.710 189 HB2 GLU 26 HB2 GLU 26 20.037 29.313 39.831 190 HB3 GLU 26 HB3 GLU 26 20.336 28.412 38.402 191 HG2 GLU 26 HG2 GLU 26 18.254 28.979 37.395 192 HG3 GLU 26 HG3 GLU 26 17.756 29.743 39.033 193 H ALA 27 H ALA 27 18.675 25.237 38.337 194 HA ALA 27 HA ALA 27 15.771 25.354 37.957 195 HB1 ALA 27 HB1 ALA 27 17.484 24.638 36.184 196 HB2 ALA 27 HB2 ALA 27 17.758 23.186 37.248 197 HB3 ALA 27 HB3 ALA 27 16.181 23.498 36.537 198 H GLU 28 H GLU 28 17.656 23.611 40.124 199 HA GLU 28 HA GLU 28 15.237 22.187 41.069 200 HB2 GLU 28 HB2 GLU 28 18.163 21.862 42.075 201 HB3 GLU 28 HB3 GLU 28 16.850 20.995 42.607 202 HG2 GLU 28 HG2 GLU 28 17.581 20.747 39.635 203 HG3 GLU 28 HG3 GLU 28 18.369 19.785 40.989 204 H ASN 29 H ASN 29 16.741 24.938 41.892 205 HA ASN 29 HA ASN 29 15.759 25.064 44.649 206 HB2 ASN 29 HB2 ASN 29 16.613 27.205 42.592 207 HB3 ASN 29 HB3 ASN 29 15.721 27.834 43.906 208 HD21 ASN 29 HD22 ASN 29 18.847 26.540 43.191 209 HD22 ASN 29 HD21 ASN 29 19.490 27.115 44.775 Start of MODEL 12 1 H1 ACE 1 HH32 ACE 1 43.045 17.666 14.969 2 H2 ACE 1 HH33 ACE 1 42.980 19.136 14.141 3 H3 ACE 1 HH31 ACE 1 42.877 19.245 15.889 4 H SER 2 H SER 2 41.198 16.582 15.615 5 HA SER 2 HA SER 2 38.788 17.308 14.215 6 HB2 SER 2 HB2 SER 2 38.740 15.097 16.305 7 HB3 SER 2 HB3 SER 2 37.711 15.426 15.163 8 HG SER 2 HG SER 2 39.147 13.903 14.384 9 H ASP 3 H ASP 3 39.934 18.225 17.275 10 HA ASP 3 HA ASP 3 37.304 19.128 18.480 11 HB2 ASP 3 HB2 ASP 3 38.647 17.779 19.778 12 HB3 ASP 3 HB3 ASP 3 40.090 18.901 19.626 13 H ALA 4 H ALA 4 39.677 20.245 16.457 14 HA ALA 4 HA ALA 4 39.712 23.086 17.432 15 HB1 ALA 4 HB1 ALA 4 40.803 21.797 14.857 16 HB2 ALA 4 HB2 ALA 4 40.744 23.568 15.427 17 HB3 ALA 4 HB3 ALA 4 41.644 22.158 16.271 18 H ALA 5 H ALA 5 37.810 21.157 15.182 19 HA ALA 5 HA ALA 5 36.358 23.318 13.923 20 HB1 ALA 5 HB1 ALA 5 36.454 20.287 13.990 21 HB2 ALA 5 HB2 ALA 5 34.913 21.071 13.552 22 HB3 ALA 5 HB3 ALA 5 36.265 21.503 12.600 23 H VAL 6 H VAL 6 36.395 21.888 16.874 24 HA VAL 6 HA VAL 6 33.541 22.625 17.613 25 HB VAL 6 HB VAL 6 35.270 21.007 19.554 26 HG11 VAL 6 HG11 VAL 6 32.334 20.802 18.977 27 HG12 VAL 6 HG12 VAL 6 33.252 20.061 20.269 28 HG13 VAL 6 HG13 VAL 6 32.955 21.791 20.338 29 HG21 VAL 6 HG21 VAL 6 33.916 20.078 17.018 30 HG22 VAL 6 HG22 VAL 6 35.480 19.724 17.657 31 HG23 VAL 6 HG23 VAL 6 34.149 19.002 18.500 32 H ASP 7 H ASP 7 36.263 24.157 17.433 33 HA ASP 7 HA ASP 7 37.069 25.935 17.985 34 HB2 ASP 7 HB2 ASP 7 34.972 26.821 18.111 35 HB3 ASP 7 HB3 ASP 7 34.854 26.611 19.854 36 H THR 8 H THR 8 37.821 23.418 19.213 37 HA THR 8 HA THR 8 39.339 22.625 20.694 38 HB THR 8 HB THR 8 39.824 25.347 21.667 39 HG1 THR 8 HG1 THR 8 40.417 25.293 19.456 40 HG21 THR 8 HG21 THR 8 41.218 22.779 22.007 41 HG22 THR 8 HG22 THR 8 42.175 24.378 21.835 42 HG23 THR 8 HG23 THR 8 41.097 24.002 23.188 43 H SER 9 H SER 9 36.621 22.275 21.329 44 HA SER 9 HA SER 9 35.943 23.245 23.841 45 HB2 SER 9 HB2 SER 9 34.271 21.498 23.934 46 HB3 SER 9 HB3 SER 9 34.440 21.893 22.112 47 HG SER 9 HG SER 9 35.799 20.091 21.901 48 H SER 10 H SER 10 38.240 20.799 23.169 49 HA SER 10 HA SER 10 38.249 19.408 25.676 50 HB2 SER 10 HB2 SER 10 40.627 20.386 24.007 51 HB3 SER 10 HB3 SER 10 40.780 19.232 25.301 52 HG SER 10 HG SER 10 39.170 19.060 22.923 53 H GLU 11 H GLU 11 39.148 22.646 25.077 54 HA GLU 11 HA GLU 11 40.357 22.982 27.787 55 HB2 GLU 11 HB2 GLU 11 39.910 24.919 25.517 56 HB3 GLU 11 HB3 GLU 11 40.324 25.409 27.148 57 HG2 GLU 11 HG2 GLU 11 42.321 23.703 26.935 58 HG3 GLU 11 HG3 GLU 11 41.927 23.655 25.267 59 H ILE 12 H ILE 12 37.355 23.823 26.276 60 HA ILE 12 HA ILE 12 36.409 25.238 28.761 61 HB ILE 12 HB ILE 12 34.607 26.048 27.631 62 HG12 ILE 12 HG12 ILE 12 35.186 24.943 25.014 63 HG13 ILE 12 HG13 ILE 12 34.612 23.764 26.149 64 HG21 ILE 12 HG21 ILE 12 37.327 26.335 26.484 65 HG22 ILE 12 HG22 ILE 12 35.994 27.282 25.647 66 HG23 ILE 12 HG23 ILE 12 36.511 27.493 27.360 67 HD11 ILE 12 HD11 ILE 12 32.675 25.130 26.577 68 HD12 ILE 12 HD12 ILE 12 33.440 26.486 25.703 69 HD13 ILE 12 HD13 ILE 12 32.823 24.949 24.832 70 H THR 13 H THR 13 35.859 22.118 27.746 71 HA THR 13 HA THR 13 33.404 21.435 28.677 72 HB THR 13 HB THR 13 34.671 19.926 27.529 73 HG1 THR 13 HG1 THR 13 33.219 19.033 29.022 74 HG21 THR 13 HG21 THR 13 36.937 20.641 29.026 75 HG22 THR 13 HG22 THR 13 36.468 19.115 29.689 76 HG23 THR 13 HG23 THR 13 36.687 19.156 27.960 77 H THR 14 H THR 14 36.340 21.772 30.942 78 HA THR 14 HA THR 14 34.607 21.305 33.220 79 HB THR 14 HB THR 14 37.258 22.999 33.228 80 HG1 THR 14 HG1 THR 14 37.869 21.082 32.491 81 HG21 THR 14 HG21 THR 14 37.317 21.915 35.545 82 HG22 THR 14 HG22 THR 14 36.265 23.310 35.250 83 HG23 THR 14 HG23 THR 14 35.570 21.713 35.299 84 H LYS 15 H LYS 15 35.372 24.512 31.657 85 HA LYS 15 HA LYS 15 33.836 26.101 33.414 86 HB2 LYS 15 HB2 LYS 15 34.009 26.454 30.408 87 HB3 LYS 15 HB3 LYS 15 33.884 27.741 31.628 88 HG2 LYS 15 HG2 LYS 15 36.119 27.427 32.449 89 HG3 LYS 15 HG3 LYS 15 36.474 26.223 31.194 90 HD2 LYS 15 HD2 LYS 15 35.977 27.916 29.383 91 HD3 LYS 15 HD3 LYS 15 35.393 28.953 30.549 92 HE2 LYS 15 HE2 LYS 15 38.229 28.275 31.185 93 HE3 LYS 15 HE3 LYS 15 38.112 28.572 29.504 94 HZ1 LYS 15 HZ1 LYS 15 37.498 30.639 29.814 95 HZ2 LYS 15 HZ2 LYS 15 36.970 30.493 31.369 96 HZ3 LYS 15 HZ3 LYS 15 38.613 30.411 31.008 97 H ASP 16 H ASP 16 32.910 24.178 30.632 98 HA ASP 16 HA ASP 16 30.130 24.810 30.516 99 HB2 ASP 16 HB2 ASP 16 31.367 23.728 28.598 100 HB3 ASP 16 HB3 ASP 16 31.518 22.321 29.595 101 H LEU 17 H LEU 17 31.968 22.472 32.487 102 HA LEU 17 HA LEU 17 29.405 21.333 33.237 103 HB2 LEU 17 HB2 LEU 17 32.245 20.368 33.340 104 HB3 LEU 17 HB3 LEU 17 31.087 19.560 34.409 105 HG LEU 17 HG LEU 17 30.678 20.007 31.434 106 HD11 LEU 17 HD11 LEU 17 32.708 18.656 31.714 107 HD12 LEU 17 HD12 LEU 17 31.839 17.482 32.835 108 HD13 LEU 17 HD13 LEU 17 31.355 17.657 31.192 109 HD21 LEU 17 HD21 LEU 17 29.250 17.876 31.849 110 HD22 LEU 17 HD22 LEU 17 29.236 18.415 33.555 111 HD23 LEU 17 HD23 LEU 17 28.653 19.502 32.288 112 H LYS 18 H LYS 18 31.403 23.641 34.574 113 HA LYS 18 HA LYS 18 29.936 23.694 37.153 114 HB2 LYS 18 HB2 LYS 18 31.924 25.686 35.819 115 HB3 LYS 18 HB3 LYS 18 30.883 26.160 37.081 116 HG2 LYS 18 HG2 LYS 18 32.968 25.627 37.933 117 HG3 LYS 18 HG3 LYS 18 31.924 24.264 38.539 118 HD2 LYS 18 HD2 LYS 18 33.036 22.941 36.521 119 HD3 LYS 18 HD3 LYS 18 33.999 24.376 36.226 120 HE2 LYS 18 HE2 LYS 18 34.052 22.797 38.875 121 HE3 LYS 18 HE3 LYS 18 35.108 22.808 37.560 122 HZ1 LYS 18 HZ1 LYS 18 36.117 24.356 39.166 123 HZ2 LYS 18 HZ2 LYS 18 35.507 25.197 37.890 124 HZ3 LYS 18 HZ3 LYS 18 34.718 25.154 39.313 125 H GLU 19 H GLU 19 29.471 24.790 33.808 126 HA GLU 19 HA GLU 19 27.226 26.543 34.660 127 HB2 GLU 19 HB2 GLU 19 28.548 26.669 32.401 128 HB3 GLU 19 HB3 GLU 19 27.603 25.183 32.009 129 HG2 GLU 19 HG2 GLU 19 25.541 26.537 32.408 130 HG3 GLU 19 HG3 GLU 19 26.525 27.796 32.995 131 H LYS 20 H LYS 20 27.488 23.252 33.468 132 HA LYS 20 HA LYS 20 24.743 22.789 33.541 133 HB2 LYS 20 HB2 LYS 20 27.177 21.069 33.577 134 HB3 LYS 20 HB3 LYS 20 25.681 20.290 33.115 135 HG2 LYS 20 HG2 LYS 20 26.733 22.528 31.465 136 HG3 LYS 20 HG3 LYS 20 27.060 20.767 31.252 137 HD2 LYS 20 HD2 LYS 20 24.474 20.702 31.269 138 HD3 LYS 20 HD3 LYS 20 24.631 22.491 31.159 139 HE2 LYS 20 HE2 LYS 20 25.640 20.528 29.083 140 HE3 LYS 20 HE3 LYS 20 24.218 21.483 28.734 141 HZ1 LYS 20 HZ1 LYS 20 25.991 22.231 27.538 142 HZ2 LYS 20 HZ2 LYS 20 25.696 23.404 28.520 143 HZ3 LYS 20 HZ3 LYS 20 26.951 22.357 28.820 144 H LYS 21 H LYS 21 26.920 22.877 35.915 145 HA LYS 21 HA LYS 21 25.453 21.307 38.017 146 HB2 LYS 21 HB2 LYS 21 28.303 22.302 37.949 147 HB3 LYS 21 HB3 LYS 21 27.523 21.494 39.372 148 HG2 LYS 21 HG2 LYS 21 26.989 19.476 37.958 149 HG3 LYS 21 HG3 LYS 21 27.810 20.243 36.642 150 HD2 LYS 21 HD2 LYS 21 29.909 20.322 38.140 151 HD3 LYS 21 HD3 LYS 21 28.849 19.376 39.299 152 HE2 LYS 21 HE2 LYS 21 29.610 18.498 36.474 153 HE3 LYS 21 HE3 LYS 21 30.377 17.914 37.996 154 HZ1 LYS 21 HZ1 LYS 21 27.551 17.606 37.249 155 HZ2 LYS 21 HZ2 LYS 21 28.627 16.381 37.306 156 HZ3 LYS 21 HZ3 LYS 21 28.120 17.163 38.686 157 H GLU 22 H GLU 22 25.530 24.352 36.827 158 HA GLU 22 HA GLU 22 24.891 25.720 39.366 159 HB2 GLU 22 HB2 GLU 22 26.675 27.042 38.490 160 HB3 GLU 22 HB3 GLU 22 26.106 27.096 36.848 161 HG2 GLU 22 HG2 GLU 22 24.321 28.567 37.406 162 HG3 GLU 22 HG3 GLU 22 24.438 28.020 39.100 163 H VAL 23 H VAL 23 24.004 25.591 35.947 164 HA VAL 23 HA VAL 23 21.471 26.652 36.160 165 HB VAL 23 HB VAL 23 22.985 25.992 34.056 166 HG11 VAL 23 HG11 VAL 23 22.300 24.176 32.845 167 HG12 VAL 23 HG12 VAL 23 23.130 23.520 34.287 168 HG13 VAL 23 HG13 VAL 23 21.320 23.515 33.962 169 HG21 VAL 23 HG21 VAL 23 20.831 27.179 33.998 170 HG22 VAL 23 HG22 VAL 23 20.927 26.126 32.639 171 HG23 VAL 23 HG23 VAL 23 19.878 25.685 34.108 172 H VAL 24 H VAL 24 22.739 23.354 36.568 173 HA VAL 24 HA VAL 24 20.021 22.265 36.817 174 HB VAL 24 HB VAL 24 22.224 21.248 36.157 175 HG11 VAL 24 HG11 VAL 24 23.406 19.872 37.651 176 HG12 VAL 24 HG12 VAL 24 23.173 21.360 38.488 177 HG13 VAL 24 HG13 VAL 24 22.112 19.967 38.892 178 HG21 VAL 24 HG21 VAL 24 21.258 19.016 36.339 179 HG22 VAL 24 HG22 VAL 24 19.936 19.673 37.377 180 HG23 VAL 24 HG23 VAL 24 20.201 20.266 35.700 181 H GLU 25 H GLU 25 22.146 23.589 39.048 182 HA GLU 25 HA GLU 25 20.427 22.856 41.167 183 HB2 GLU 25 HB2 GLU 25 22.950 24.538 41.366 184 HB3 GLU 25 HB3 GLU 25 21.960 24.357 42.772 185 HG2 GLU 25 HG2 GLU 25 23.160 22.072 41.233 186 HG3 GLU 25 HG3 GLU 25 23.934 22.729 42.687 187 H GLU 26 H GLU 26 20.644 25.494 38.947 188 HA GLU 26 HA GLU 26 19.045 27.430 40.390 189 HB2 GLU 26 HB2 GLU 26 20.094 27.318 37.685 190 HB3 GLU 26 HB3 GLU 26 18.882 28.571 38.183 191 HG2 GLU 26 HG2 GLU 26 21.538 28.149 39.522 192 HG3 GLU 26 HG3 GLU 26 21.156 29.391 38.409 193 H ALA 27 H ALA 27 18.524 24.825 38.042 194 HA ALA 27 HA ALA 27 15.810 25.258 37.545 195 HB1 ALA 27 HB1 ALA 27 17.224 22.589 37.796 196 HB2 ALA 27 HB2 ALA 27 15.820 22.862 36.835 197 HB3 ALA 27 HB3 ALA 27 17.324 23.553 36.243 198 H GLU 28 H GLU 28 17.187 23.569 40.264 199 HA GLU 28 HA GLU 28 14.531 23.099 41.517 200 HB2 GLU 28 HB2 GLU 28 17.369 22.527 42.212 201 HB3 GLU 28 HB3 GLU 28 16.027 22.106 43.335 202 HG2 GLU 28 HG2 GLU 28 16.407 20.928 40.623 203 HG3 GLU 28 HG3 GLU 28 16.375 20.190 42.220 204 H ASN 29 H ASN 29 16.471 26.046 41.434 205 HA ASN 29 HA ASN 29 16.133 26.900 44.152 206 HB2 ASN 29 HB2 ASN 29 17.829 27.850 42.510 207 HB3 ASN 29 HB3 ASN 29 16.433 28.462 41.504 208 HD21 ASN 29 HD22 ASN 29 18.172 30.299 41.924 209 HD22 ASN 29 HD21 ASN 29 17.835 31.297 43.282 Start of MODEL 13 1 H1 ACE 1 HH32 ACE 1 36.990 14.956 13.445 2 H2 ACE 1 HH33 ACE 1 37.321 14.667 15.205 3 H3 ACE 1 HH31 ACE 1 36.633 13.415 14.247 4 H SER 2 H SER 2 34.673 13.469 15.702 5 HA SER 2 HA SER 2 32.549 15.245 15.262 6 HB2 SER 2 HB2 SER 2 33.170 13.506 17.622 7 HB3 SER 2 HB3 SER 2 31.500 14.099 17.074 8 HG SER 2 HG SER 2 31.942 12.120 16.348 9 H ASP 3 H ASP 3 34.750 15.220 18.052 10 HA ASP 3 HA ASP 3 33.998 17.772 19.077 11 HB2 ASP 3 HB2 ASP 3 35.013 15.689 20.373 12 HB3 ASP 3 HB3 ASP 3 36.544 16.415 19.964 13 H ALA 4 H ALA 4 36.661 16.771 16.950 14 HA ALA 4 HA ALA 4 37.809 19.547 16.954 15 HB1 ALA 4 HB1 ALA 4 39.035 17.467 15.929 16 HB2 ALA 4 HB2 ALA 4 37.694 17.385 14.794 17 HB3 ALA 4 HB3 ALA 4 38.990 18.821 14.881 18 H ALA 5 H ALA 5 35.066 18.272 15.194 19 HA ALA 5 HA ALA 5 34.596 20.753 13.698 20 HB1 ALA 5 HB1 ALA 5 33.433 18.709 12.960 21 HB2 ALA 5 HB2 ALA 5 32.660 18.576 14.619 22 HB3 ALA 5 HB3 ALA 5 32.250 19.867 13.505 23 H VAL 6 H VAL 6 34.365 20.096 17.145 24 HA VAL 6 HA VAL 6 32.859 22.579 17.503 25 HB VAL 6 HB VAL 6 33.525 20.748 19.755 26 HG11 VAL 6 HG11 VAL 6 31.175 22.698 19.424 27 HG12 VAL 6 HG12 VAL 6 31.586 21.728 20.839 28 HG13 VAL 6 HG13 VAL 6 32.627 23.048 20.360 29 HG21 VAL 6 HG21 VAL 6 31.166 20.591 17.873 30 HG22 VAL 6 HG22 VAL 6 32.388 19.308 18.157 31 HG23 VAL 6 HG23 VAL 6 31.216 19.661 19.382 32 H ASP 7 H ASP 7 35.932 22.065 16.834 33 HA ASP 7 HA ASP 7 37.933 22.564 17.284 34 HB2 ASP 7 HB2 ASP 7 36.982 25.011 17.152 35 HB3 ASP 7 HB3 ASP 7 36.962 24.959 18.939 36 H THR 8 H THR 8 37.138 20.783 18.841 37 HA THR 8 HA THR 8 37.381 19.481 20.609 38 HB THR 8 HB THR 8 40.064 20.928 20.922 39 HG1 THR 8 HG1 THR 8 40.224 20.204 19.010 40 HG21 THR 8 HG21 THR 8 39.226 18.208 21.924 41 HG22 THR 8 HG22 THR 8 40.914 18.758 21.778 42 HG23 THR 8 HG23 THR 8 39.793 19.553 22.919 43 H SER 9 H SER 9 35.609 20.186 21.854 44 HA SER 9 HA SER 9 35.638 22.284 23.946 45 HB2 SER 9 HB2 SER 9 33.381 21.504 24.247 46 HB3 SER 9 HB3 SER 9 33.723 21.260 22.487 47 HG SER 9 HG SER 9 33.925 19.011 22.825 48 H SER 10 H SER 10 36.542 18.886 23.762 49 HA SER 10 HA SER 10 36.453 17.935 26.358 50 HB2 SER 10 HB2 SER 10 38.629 17.672 24.314 51 HB3 SER 10 HB3 SER 10 38.418 16.525 25.698 52 HG SER 10 HG SER 10 36.655 16.758 23.460 53 H GLU 11 H GLU 11 38.372 20.664 25.320 54 HA GLU 11 HA GLU 11 40.311 20.311 27.621 55 HB2 GLU 11 HB2 GLU 11 40.471 22.027 25.222 56 HB3 GLU 11 HB3 GLU 11 41.469 22.451 26.636 57 HG2 GLU 11 HG2 GLU 11 42.423 19.934 26.417 58 HG3 GLU 11 HG3 GLU 11 41.700 20.086 24.817 59 H ILE 12 H ILE 12 37.758 22.436 26.540 60 HA ILE 12 HA ILE 12 37.986 24.180 28.919 61 HB ILE 12 HB ILE 12 36.112 25.515 27.828 62 HG12 ILE 12 HG12 ILE 12 36.742 23.994 25.356 63 HG13 ILE 12 HG13 ILE 12 35.500 23.587 26.466 64 HG21 ILE 12 HG21 ILE 12 38.373 26.394 27.764 65 HG22 ILE 12 HG22 ILE 12 38.806 25.069 26.614 66 HG23 ILE 12 HG23 ILE 12 37.679 26.328 26.051 67 HD11 ILE 12 HD11 ILE 12 35.487 26.244 25.106 68 HD12 ILE 12 HD12 ILE 12 34.374 24.835 24.716 69 HD13 ILE 12 HD13 ILE 12 34.350 25.525 26.231 70 H THR 13 H THR 13 35.763 21.734 27.749 71 HA THR 13 HA THR 13 33.343 21.760 28.809 72 HB THR 13 HB THR 13 34.293 19.750 27.733 73 HG1 THR 13 HG1 THR 13 32.647 19.010 29.203 74 HG21 THR 13 HG21 THR 13 36.096 19.287 30.160 75 HG22 THR 13 HG22 THR 13 35.946 18.279 28.803 76 HG23 THR 13 HG23 THR 13 36.575 19.928 28.510 77 H THR 14 H THR 14 36.063 21.242 31.375 78 HA THR 14 HA THR 14 34.071 20.699 33.486 79 HB THR 14 HB THR 14 36.657 22.127 33.972 80 HG1 THR 14 HG1 THR 14 37.215 20.030 32.855 81 HG21 THR 14 HG21 THR 14 35.177 21.862 35.699 82 HG22 THR 14 HG22 THR 14 34.824 20.155 35.390 83 HG23 THR 14 HG23 THR 14 36.368 20.739 36.147 84 H LYS 15 H LYS 15 35.402 23.700 32.163 85 HA LYS 15 HA LYS 15 33.919 25.558 33.838 86 HB2 LYS 15 HB2 LYS 15 34.673 25.991 30.976 87 HB3 LYS 15 HB3 LYS 15 34.337 27.185 32.308 88 HG2 LYS 15 HG2 LYS 15 36.497 26.742 33.428 89 HG3 LYS 15 HG3 LYS 15 36.741 25.358 32.249 90 HD2 LYS 15 HD2 LYS 15 38.171 27.285 31.691 91 HD3 LYS 15 HD3 LYS 15 37.020 26.726 30.481 92 HE2 LYS 15 HE2 LYS 15 35.559 28.752 31.168 93 HE3 LYS 15 HE3 LYS 15 36.859 29.221 32.219 94 HZ1 LYS 15 HZ1 LYS 15 38.366 29.418 30.377 95 HZ2 LYS 15 HZ2 LYS 15 37.280 28.765 29.345 96 HZ3 LYS 15 HZ3 LYS 15 37.040 30.215 29.989 97 H ASP 16 H ASP 16 33.040 23.951 30.748 98 HA ASP 16 HA ASP 16 30.564 25.125 30.593 99 HB2 ASP 16 HB2 ASP 16 31.912 24.201 28.683 100 HB3 ASP 16 HB3 ASP 16 31.503 22.630 29.155 101 H LEU 17 H LEU 17 31.683 22.295 32.442 102 HA LEU 17 HA LEU 17 28.964 21.510 33.057 103 HB2 LEU 17 HB2 LEU 17 31.709 20.376 33.976 104 HB3 LEU 17 HB3 LEU 17 30.229 19.714 34.500 105 HG LEU 17 HG LEU 17 30.888 20.025 31.555 106 HD11 LEU 17 HD11 LEU 17 32.749 18.690 32.475 107 HD12 LEU 17 HD12 LEU 17 31.526 17.706 33.352 108 HD13 LEU 17 HD13 LEU 17 31.607 17.691 31.581 109 HD21 LEU 17 HD21 LEU 17 29.165 18.052 31.390 110 HD22 LEU 17 HD22 LEU 17 28.890 18.140 33.066 111 HD23 LEU 17 HD23 LEU 17 28.484 19.571 32.064 112 H LYS 18 H LYS 18 31.283 23.447 34.509 113 HA LYS 18 HA LYS 18 29.737 23.819 37.078 114 HB2 LYS 18 HB2 LYS 18 32.057 25.234 35.677 115 HB3 LYS 18 HB3 LYS 18 31.082 26.157 36.779 116 HG2 LYS 18 HG2 LYS 18 32.782 25.339 38.104 117 HG3 LYS 18 HG3 LYS 18 31.461 24.193 38.477 118 HD2 LYS 18 HD2 LYS 18 32.634 22.503 36.980 119 HD3 LYS 18 HD3 LYS 18 33.743 23.801 36.538 120 HE2 LYS 18 HE2 LYS 18 33.273 22.785 39.320 121 HE3 LYS 18 HE3 LYS 18 34.448 22.079 38.273 122 HZ1 LYS 18 HZ1 LYS 18 35.629 23.589 39.484 123 HZ2 LYS 18 HZ2 LYS 18 35.591 24.347 38.122 124 HZ3 LYS 18 HZ3 LYS 18 34.477 24.885 39.245 125 H GLU 19 H GLU 19 29.668 25.032 33.705 126 HA GLU 19 HA GLU 19 27.451 26.814 34.439 127 HB2 GLU 19 HB2 GLU 19 28.849 26.267 31.986 128 HB3 GLU 19 HB3 GLU 19 27.415 25.485 31.733 129 HG2 GLU 19 HG2 GLU 19 26.033 27.406 32.572 130 HG3 GLU 19 HG3 GLU 19 27.538 28.369 32.817 131 H LYS 20 H LYS 20 27.532 23.651 33.081 132 HA LYS 20 HA LYS 20 24.708 23.022 33.197 133 HB2 LYS 20 HB2 LYS 20 27.036 21.225 32.857 134 HB3 LYS 20 HB3 LYS 20 25.470 20.613 33.037 135 HG2 LYS 20 HG2 LYS 20 26.289 22.643 30.820 136 HG3 LYS 20 HG3 LYS 20 25.978 20.916 30.658 137 HD2 LYS 20 HD2 LYS 20 23.549 21.427 31.422 138 HD3 LYS 20 HD3 LYS 20 24.004 23.143 31.136 139 HE2 LYS 20 HE2 LYS 20 23.906 20.750 29.264 140 HE3 LYS 20 HE3 LYS 20 22.915 22.164 29.125 141 HZ1 LYS 20 HZ1 LYS 20 24.882 23.543 28.864 142 HZ2 LYS 20 HZ2 LYS 20 25.802 22.239 28.458 143 HZ3 LYS 20 HZ3 LYS 20 24.442 22.730 27.629 144 H LYS 21 H LYS 21 26.810 23.023 35.795 145 HA LYS 21 HA LYS 21 25.110 21.735 37.844 146 HB2 LYS 21 HB2 LYS 21 27.895 23.134 37.919 147 HB3 LYS 21 HB3 LYS 21 27.045 22.783 39.356 148 HG2 LYS 21 HG2 LYS 21 28.422 20.806 37.400 149 HG3 LYS 21 HG3 LYS 21 28.715 21.116 38.954 150 HD2 LYS 21 HD2 LYS 21 26.560 20.248 39.865 151 HD3 LYS 21 HD3 LYS 21 26.048 19.901 38.259 152 HE2 LYS 21 HE2 LYS 21 27.875 18.144 37.949 153 HE3 LYS 21 HE3 LYS 21 28.727 18.854 39.321 154 HZ1 LYS 21 HZ1 LYS 21 27.326 17.802 40.732 155 HZ2 LYS 21 HZ2 LYS 21 26.090 17.599 39.665 156 HZ3 LYS 21 HZ3 LYS 21 27.459 16.692 39.547 157 H GLU 22 H GLU 22 25.768 24.911 36.661 158 HA GLU 22 HA GLU 22 24.694 26.309 39.120 159 HB2 GLU 22 HB2 GLU 22 26.769 27.151 38.207 160 HB3 GLU 22 HB3 GLU 22 26.079 27.415 36.696 161 HG2 GLU 22 HG2 GLU 22 24.348 28.924 37.804 162 HG3 GLU 22 HG3 GLU 22 25.094 28.759 39.320 163 H VAL 23 H VAL 23 23.981 25.892 35.755 164 HA VAL 23 HA VAL 23 21.317 27.024 35.824 165 HB VAL 23 HB VAL 23 22.887 26.247 33.794 166 HG11 VAL 23 HG11 VAL 23 23.295 24.060 34.286 167 HG12 VAL 23 HG12 VAL 23 21.652 23.614 33.963 168 HG13 VAL 23 HG13 VAL 23 22.693 24.199 32.717 169 HG21 VAL 23 HG21 VAL 23 20.540 27.318 33.620 170 HG22 VAL 23 HG22 VAL 23 20.915 26.103 32.429 171 HG23 VAL 23 HG23 VAL 23 19.937 25.535 33.801 172 H VAL 24 H VAL 24 22.848 23.779 36.717 173 HA VAL 24 HA VAL 24 20.090 22.727 37.190 174 HB VAL 24 HB VAL 24 22.085 21.321 36.216 175 HG11 VAL 24 HG11 VAL 24 22.511 19.581 38.147 176 HG12 VAL 24 HG12 VAL 24 23.321 21.084 38.513 177 HG13 VAL 24 HG13 VAL 24 21.704 20.756 39.201 178 HG21 VAL 24 HG21 VAL 24 20.684 19.386 36.974 179 HG22 VAL 24 HG22 VAL 24 19.705 20.618 37.805 180 HG23 VAL 24 HG23 VAL 24 19.878 20.561 36.022 181 H GLU 25 H GLU 25 22.537 24.295 39.247 182 HA GLU 25 HA GLU 25 20.970 23.692 41.490 183 HB2 GLU 25 HB2 GLU 25 23.331 23.921 41.621 184 HB3 GLU 25 HB3 GLU 25 23.406 25.619 41.124 185 HG2 GLU 25 HG2 GLU 25 22.082 26.165 43.122 186 HG3 GLU 25 HG3 GLU 25 22.114 24.442 43.586 187 H GLU 26 H GLU 26 20.708 26.059 39.064 188 HA GLU 26 HA GLU 26 18.783 27.594 40.593 189 HB2 GLU 26 HB2 GLU 26 20.256 28.400 38.742 190 HB3 GLU 26 HB3 GLU 26 19.513 27.439 37.613 191 HG2 GLU 26 HG2 GLU 26 17.388 28.438 37.700 192 HG3 GLU 26 HG3 GLU 26 17.788 29.206 39.310 193 H ALA 27 H ALA 27 18.733 24.900 38.227 194 HA ALA 27 HA ALA 27 15.970 24.654 37.670 195 HB1 ALA 27 HB1 ALA 27 17.897 23.561 36.483 196 HB2 ALA 27 HB2 ALA 27 17.793 22.399 37.815 197 HB3 ALA 27 HB3 ALA 27 16.467 22.469 36.649 198 H GLU 28 H GLU 28 17.764 23.415 40.441 199 HA GLU 28 HA GLU 28 15.747 21.931 41.863 200 HB2 GLU 28 HB2 GLU 28 18.192 21.458 42.075 201 HB3 GLU 28 HB3 GLU 28 18.371 23.104 42.680 202 HG2 GLU 28 HG2 GLU 28 17.280 22.377 44.756 203 HG3 GLU 28 HG3 GLU 28 16.686 20.874 43.851 204 H ASN 29 H ASN 29 16.389 25.271 41.472 205 HA ASN 29 HA ASN 29 15.121 26.037 44.040 206 HB2 ASN 29 HB2 ASN 29 17.323 26.962 43.414 207 HB3 ASN 29 HB3 ASN 29 16.677 27.722 41.969 208 HD21 ASN 29 HD22 ASN 29 15.095 29.344 42.391 209 HD22 ASN 29 HD21 ASN 29 14.872 30.244 43.910 Start of MODEL 14 1 H1 ACE 1 HH32 ACE 1 38.332 14.600 14.588 2 H2 ACE 1 HH33 ACE 1 37.686 13.945 16.000 3 H3 ACE 1 HH31 ACE 1 37.118 13.387 14.363 4 H SER 2 H SER 2 34.903 13.976 15.767 5 HA SER 2 HA SER 2 33.984 16.346 14.331 6 HB2 SER 2 HB2 SER 2 31.814 15.681 15.332 7 HB3 SER 2 HB3 SER 2 32.575 14.229 14.663 8 HG SER 2 HG SER 2 31.742 14.127 16.968 9 H ASP 3 H ASP 3 35.337 15.915 17.478 10 HA ASP 3 HA ASP 3 34.325 18.456 18.514 11 HB2 ASP 3 HB2 ASP 3 34.551 16.551 19.864 12 HB3 ASP 3 HB3 ASP 3 36.400 16.671 19.659 13 H ALA 4 H ALA 4 36.662 17.825 16.119 14 HA ALA 4 HA ALA 4 38.413 19.837 16.930 15 HB1 ALA 4 HB1 ALA 4 39.145 17.874 15.229 16 HB2 ALA 4 HB2 ALA 4 37.998 18.494 14.159 17 HB3 ALA 4 HB3 ALA 4 39.469 19.398 14.547 18 H ALA 5 H ALA 5 35.357 19.758 15.057 19 HA ALA 5 HA ALA 5 35.763 22.394 13.857 20 HB1 ALA 5 HB1 ALA 5 33.487 22.476 13.311 21 HB2 ALA 5 HB2 ALA 5 34.243 20.936 12.924 22 HB3 ALA 5 HB3 ALA 5 33.233 20.901 14.289 23 H VAL 6 H VAL 6 35.309 21.458 17.032 24 HA VAL 6 HA VAL 6 33.785 23.851 17.987 25 HB VAL 6 HB VAL 6 33.965 21.178 19.424 26 HG11 VAL 6 HG11 VAL 6 31.662 23.095 19.566 27 HG12 VAL 6 HG12 VAL 6 32.290 21.988 20.770 28 HG13 VAL 6 HG13 VAL 6 33.212 23.507 20.443 29 HG21 VAL 6 HG21 VAL 6 32.004 22.243 17.365 30 HG22 VAL 6 HG22 VAL 6 32.791 20.553 17.608 31 HG23 VAL 6 HG23 VAL 6 31.412 21.033 18.489 32 H ASP 7 H ASP 7 36.701 23.218 17.456 33 HA ASP 7 HA ASP 7 38.780 23.984 18.183 34 HB2 ASP 7 HB2 ASP 7 37.461 26.035 18.480 35 HB3 ASP 7 HB3 ASP 7 37.434 25.869 20.209 36 H THR 8 H THR 8 37.390 21.522 19.366 37 HA THR 8 HA THR 8 37.679 19.852 20.782 38 HB THR 8 HB THR 8 40.379 20.919 21.704 39 HG1 THR 8 HG1 THR 8 39.892 20.302 19.560 40 HG21 THR 8 HG21 THR 8 39.368 19.165 23.376 41 HG22 THR 8 HG22 THR 8 38.945 18.117 21.930 42 HG23 THR 8 HG23 THR 8 40.566 18.476 22.420 43 H SER 9 H SER 9 35.785 20.315 21.839 44 HA SER 9 HA SER 9 35.766 22.209 24.157 45 HB2 SER 9 HB2 SER 9 33.464 21.373 24.521 46 HB3 SER 9 HB3 SER 9 33.654 21.955 22.871 47 HG SER 9 HG SER 9 33.916 19.620 22.298 48 H SER 10 H SER 10 36.525 18.926 23.411 49 HA SER 10 HA SER 10 36.231 17.550 25.967 50 HB2 SER 10 HB2 SER 10 38.404 16.995 24.019 51 HB3 SER 10 HB3 SER 10 37.493 15.932 25.093 52 HG SER 10 HG SER 10 36.446 17.221 22.846 53 H GLU 11 H GLU 11 38.564 20.044 25.031 54 HA GLU 11 HA GLU 11 40.338 19.416 27.333 55 HB2 GLU 11 HB2 GLU 11 40.234 21.849 25.737 56 HB3 GLU 11 HB3 GLU 11 41.303 21.435 27.096 57 HG2 GLU 11 HG2 GLU 11 42.187 19.432 25.985 58 HG3 GLU 11 HG3 GLU 11 41.111 19.584 24.661 59 H ILE 12 H ILE 12 38.159 22.021 26.515 60 HA ILE 12 HA ILE 12 38.408 23.226 29.034 61 HB ILE 12 HB ILE 12 36.957 25.121 28.109 62 HG12 ILE 12 HG12 ILE 12 36.550 24.298 25.447 63 HG13 ILE 12 HG13 ILE 12 36.011 22.942 26.416 64 HG21 ILE 12 HG21 ILE 12 39.466 24.870 27.611 65 HG22 ILE 12 HG22 ILE 12 38.924 24.114 26.133 66 HG23 ILE 12 HG23 ILE 12 38.440 25.773 26.364 67 HD11 ILE 12 HD11 ILE 12 34.581 24.462 27.722 68 HD12 ILE 12 HD12 ILE 12 34.925 25.806 26.517 69 HD13 ILE 12 HD13 ILE 12 34.072 24.363 26.169 70 H THR 13 H THR 13 36.233 21.002 27.991 71 HA THR 13 HA THR 13 33.714 21.299 28.830 72 HB THR 13 HB THR 13 34.220 19.382 27.829 73 HG1 THR 13 HG1 THR 13 33.112 17.873 28.853 74 HG21 THR 13 HG21 THR 13 35.534 17.601 28.713 75 HG22 THR 13 HG22 THR 13 36.424 19.046 28.380 76 HG23 THR 13 HG23 THR 13 36.025 18.663 30.087 77 H THR 14 H THR 14 36.086 20.603 31.532 78 HA THR 14 HA THR 14 34.135 20.693 33.594 79 HB THR 14 HB THR 14 36.596 22.020 34.419 80 HG1 THR 14 HG1 THR 14 37.248 20.293 32.999 81 HG21 THR 14 HG21 THR 14 35.041 19.564 35.270 82 HG22 THR 14 HG22 THR 14 36.254 20.283 36.246 83 HG23 THR 14 HG23 THR 14 34.752 21.173 35.957 84 H LYS 15 H LYS 15 35.477 23.505 32.030 85 HA LYS 15 HA LYS 15 34.128 25.556 33.653 86 HB2 LYS 15 HB2 LYS 15 35.337 25.819 30.868 87 HB3 LYS 15 HB3 LYS 15 34.652 27.088 32.021 88 HG2 LYS 15 HG2 LYS 15 36.526 26.811 33.414 89 HG3 LYS 15 HG3 LYS 15 36.859 25.189 32.907 90 HD2 LYS 15 HD2 LYS 15 37.692 26.063 30.686 91 HD3 LYS 15 HD3 LYS 15 37.380 27.689 31.297 92 HE2 LYS 15 HE2 LYS 15 38.767 27.188 33.280 93 HE3 LYS 15 HE3 LYS 15 39.302 25.743 32.584 94 HZ1 LYS 15 HZ1 LYS 15 40.049 28.455 31.548 95 HZ2 LYS 15 HZ2 LYS 15 40.916 27.124 32.054 96 HZ3 LYS 15 HZ3 LYS 15 40.235 27.079 30.665 97 H ASP 16 H ASP 16 33.254 23.795 30.635 98 HA ASP 16 HA ASP 16 30.594 24.989 30.336 99 HB2 ASP 16 HB2 ASP 16 31.821 23.633 28.547 100 HB3 ASP 16 HB3 ASP 16 31.609 22.215 29.401 101 H LEU 17 H LEU 17 31.852 22.428 32.428 102 HA LEU 17 HA LEU 17 29.361 21.665 33.152 103 HB2 LEU 17 HB2 LEU 17 32.024 20.811 33.926 104 HB3 LEU 17 HB3 LEU 17 30.684 20.629 35.224 105 HG LEU 17 HG LEU 17 30.571 19.662 32.379 106 HD11 LEU 17 HD11 LEU 17 31.612 17.954 34.603 107 HD12 LEU 17 HD12 LEU 17 31.461 17.427 32.978 108 HD13 LEU 17 HD13 LEU 17 32.658 18.593 33.260 109 HD21 LEU 17 HD21 LEU 17 29.075 17.961 33.340 110 HD22 LEU 17 HD22 LEU 17 29.423 18.577 34.995 111 HD23 LEU 17 HD23 LEU 17 28.450 19.506 33.728 112 H LYS 18 H LYS 18 31.445 23.981 34.633 113 HA LYS 18 HA LYS 18 29.559 24.401 36.909 114 HB2 LYS 18 HB2 LYS 18 31.553 26.129 35.487 115 HB3 LYS 18 HB3 LYS 18 30.588 26.728 36.806 116 HG2 LYS 18 HG2 LYS 18 32.545 26.179 37.869 117 HG3 LYS 18 HG3 LYS 18 31.359 24.994 38.409 118 HD2 LYS 18 HD2 LYS 18 32.353 23.197 36.881 119 HD3 LYS 18 HD3 LYS 18 33.491 24.305 36.317 120 HE2 LYS 18 HE2 LYS 18 33.126 23.576 39.072 121 HE3 LYS 18 HE3 LYS 18 34.455 22.874 38.169 122 HZ1 LYS 18 HZ1 LYS 18 34.293 25.734 38.993 123 HZ2 LYS 18 HZ2 LYS 18 35.264 24.546 39.544 124 HZ3 LYS 18 HZ3 LYS 18 35.445 25.070 38.000 125 H GLU 19 H GLU 19 29.312 25.192 33.600 126 HA GLU 19 HA GLU 19 27.142 26.992 34.031 127 HB2 GLU 19 HB2 GLU 19 28.145 25.598 31.628 128 HB3 GLU 19 HB3 GLU 19 26.850 26.741 31.579 129 HG2 GLU 19 HG2 GLU 19 28.493 28.414 32.549 130 HG3 GLU 19 HG3 GLU 19 29.836 27.152 32.346 131 H LYS 20 H LYS 20 27.540 23.493 33.324 132 HA LYS 20 HA LYS 20 24.700 23.065 33.153 133 HB2 LYS 20 HB2 LYS 20 27.043 21.093 33.772 134 HB3 LYS 20 HB3 LYS 20 25.295 20.768 33.465 135 HG2 LYS 20 HG2 LYS 20 27.335 21.877 31.536 136 HG3 LYS 20 HG3 LYS 20 26.495 20.366 31.282 137 HD2 LYS 20 HD2 LYS 20 24.360 21.529 31.180 138 HD3 LYS 20 HD3 LYS 20 25.150 23.027 31.027 139 HE2 LYS 20 HE2 LYS 20 25.614 20.653 29.208 140 HE3 LYS 20 HE3 LYS 20 24.615 22.003 28.767 141 HZ1 LYS 20 HZ1 LYS 20 26.962 22.195 27.955 142 HZ2 LYS 20 HZ2 LYS 20 26.516 23.524 28.903 143 HZ3 LYS 20 HZ3 LYS 20 27.472 22.374 29.440 144 H LYS 21 H LYS 21 27.017 23.143 35.775 145 HA LYS 21 HA LYS 21 25.151 21.912 37.666 146 HB2 LYS 21 HB2 LYS 21 27.957 22.898 37.764 147 HB3 LYS 21 HB3 LYS 21 27.188 22.176 39.304 148 HG2 LYS 21 HG2 LYS 21 27.751 20.655 36.730 149 HG3 LYS 21 HG3 LYS 21 28.583 20.585 38.272 150 HD2 LYS 21 HD2 LYS 21 26.855 19.709 39.529 151 HD3 LYS 21 HD3 LYS 21 25.630 20.054 38.290 152 HE2 LYS 21 HE2 LYS 21 26.817 18.486 36.708 153 HE3 LYS 21 HE3 LYS 21 28.176 18.410 37.748 154 HZ1 LYS 21 HZ1 LYS 21 25.656 17.038 38.398 155 HZ2 LYS 21 HZ2 LYS 21 27.172 16.433 38.314 156 HZ3 LYS 21 HZ3 LYS 21 26.776 17.458 39.500 157 H GLU 22 H GLU 22 25.350 24.951 36.506 158 HA GLU 22 HA GLU 22 24.659 26.438 38.979 159 HB2 GLU 22 HB2 GLU 22 26.439 27.481 37.494 160 HB3 GLU 22 HB3 GLU 22 25.250 27.532 36.167 161 HG2 GLU 22 HG2 GLU 22 23.661 28.860 37.462 162 HG3 GLU 22 HG3 GLU 22 24.460 28.477 38.953 163 H VAL 23 H VAL 23 23.851 25.902 35.523 164 HA VAL 23 HA VAL 23 21.114 26.800 35.674 165 HB VAL 23 HB VAL 23 22.455 26.166 33.669 166 HG11 VAL 23 HG11 VAL 23 21.382 23.354 33.857 167 HG12 VAL 23 HG12 VAL 23 22.303 24.115 32.528 168 HG13 VAL 23 HG13 VAL 23 23.000 23.815 34.152 169 HG21 VAL 23 HG21 VAL 23 20.543 25.760 32.261 170 HG22 VAL 23 HG22 VAL 23 19.513 25.289 33.687 171 HG23 VAL 23 HG23 VAL 23 20.097 26.925 33.398 172 H VAL 24 H VAL 24 22.551 23.623 36.466 173 HA VAL 24 HA VAL 24 19.789 22.422 36.747 174 HB VAL 24 HB VAL 24 21.938 21.286 35.847 175 HG11 VAL 24 HG11 VAL 24 23.154 21.785 37.895 176 HG12 VAL 24 HG12 VAL 24 22.254 20.437 38.749 177 HG13 VAL 24 HG13 VAL 24 23.167 20.082 37.314 178 HG21 VAL 24 HG21 VAL 24 19.660 20.214 36.154 179 HG22 VAL 24 HG22 VAL 24 20.963 19.243 35.926 180 HG23 VAL 24 HG23 VAL 24 20.308 19.596 37.631 181 H GLU 25 H GLU 25 21.935 24.063 38.974 182 HA GLU 25 HA GLU 25 20.466 22.983 41.350 183 HB2 GLU 25 HB2 GLU 25 22.783 24.768 40.946 184 HB3 GLU 25 HB3 GLU 25 21.827 24.586 42.505 185 HG2 GLU 25 HG2 GLU 25 23.475 22.558 40.932 186 HG3 GLU 25 HG3 GLU 25 24.034 23.453 42.403 187 H GLU 26 H GLU 26 20.787 25.950 39.338 188 HA GLU 26 HA GLU 26 18.720 27.307 40.793 189 HB2 GLU 26 HB2 GLU 26 19.997 27.660 38.014 190 HB3 GLU 26 HB3 GLU 26 18.684 28.748 38.513 191 HG2 GLU 26 HG2 GLU 26 21.331 28.594 39.913 192 HG3 GLU 26 HG3 GLU 26 20.858 29.711 38.659 193 H ALA 27 H ALA 27 18.563 24.993 38.185 194 HA ALA 27 HA ALA 27 15.652 25.339 37.753 195 HB1 ALA 27 HB1 ALA 27 15.869 23.108 36.603 196 HB2 ALA 27 HB2 ALA 27 16.988 24.385 36.195 197 HB3 ALA 27 HB3 ALA 27 17.547 22.995 37.240 198 H GLU 28 H GLU 28 17.643 23.621 40.191 199 HA GLU 28 HA GLU 28 15.536 22.134 41.440 200 HB2 GLU 28 HB2 GLU 28 17.777 21.274 41.238 201 HB3 GLU 28 HB3 GLU 28 18.394 22.652 42.201 202 HG2 GLU 28 HG2 GLU 28 16.972 21.667 44.123 203 HG3 GLU 28 HG3 GLU 28 16.496 20.401 42.909 204 H ASN 29 H ASN 29 16.660 25.300 41.849 205 HA ASN 29 HA ASN 29 16.117 25.607 44.705 206 HB2 ASN 29 HB2 ASN 29 18.047 26.718 43.823 207 HB3 ASN 29 HB3 ASN 29 17.175 27.356 42.471 208 HD21 ASN 29 HD22 ASN 29 18.354 29.365 43.186 209 HD22 ASN 29 HD21 ASN 29 17.778 30.110 44.675 Start of MODEL 15 1 H1 ACE 1 HH32 ACE 1 38.583 10.475 17.813 2 H2 ACE 1 HH33 ACE 1 37.106 9.613 18.324 3 H3 ACE 1 HH31 ACE 1 37.849 9.220 16.718 4 H SER 2 H SER 2 35.798 11.529 18.628 5 HA SER 2 HA SER 2 34.864 12.672 16.148 6 HB2 SER 2 HB2 SER 2 33.430 12.079 18.839 7 HB3 SER 2 HB3 SER 2 32.627 12.525 17.305 8 HG SER 2 HG SER 2 32.665 10.263 17.804 9 H ASP 3 H ASP 3 36.177 13.421 19.250 10 HA ASP 3 HA ASP 3 35.023 15.883 19.338 11 HB2 ASP 3 HB2 ASP 3 36.265 14.590 21.232 12 HB3 ASP 3 HB3 ASP 3 37.766 15.063 20.434 13 H ALA 4 H ALA 4 37.395 15.048 17.047 14 HA ALA 4 HA ALA 4 38.502 17.599 16.355 15 HB1 ALA 4 HB1 ALA 4 39.363 15.476 15.633 16 HB2 ALA 4 HB2 ALA 4 37.741 15.113 14.807 17 HB3 ALA 4 HB3 ALA 4 38.808 16.308 14.156 18 H ALA 5 H ALA 5 35.259 16.073 15.724 19 HA ALA 5 HA ALA 5 34.477 18.132 13.875 20 HB1 ALA 5 HB1 ALA 5 32.422 17.054 13.946 21 HB2 ALA 5 HB2 ALA 5 33.719 15.825 13.917 22 HB3 ALA 5 HB3 ALA 5 32.793 16.005 15.345 23 H VAL 6 H VAL 6 34.976 18.171 17.172 24 HA VAL 6 HA VAL 6 32.865 20.213 17.801 25 HB VAL 6 HB VAL 6 33.784 18.268 19.888 26 HG11 VAL 6 HG11 VAL 6 31.138 19.496 19.646 27 HG12 VAL 6 HG12 VAL 6 31.699 18.416 20.985 28 HG13 VAL 6 HG13 VAL 6 32.411 20.028 20.729 29 HG21 VAL 6 HG21 VAL 6 31.521 16.881 19.323 30 HG22 VAL 6 HG22 VAL 6 31.523 17.768 17.873 31 HG23 VAL 6 HG23 VAL 6 32.889 16.632 18.275 32 H ASP 7 H ASP 7 35.710 20.481 17.169 33 HA ASP 7 HA ASP 7 37.304 22.271 17.660 34 HB2 ASP 7 HB2 ASP 7 35.165 23.688 17.609 35 HB3 ASP 7 HB3 ASP 7 35.146 23.569 19.378 36 H THR 8 H THR 8 37.712 19.934 18.973 37 HA THR 8 HA THR 8 38.630 18.964 21.135 38 HB THR 8 HB THR 8 40.101 21.522 21.552 39 HG1 THR 8 HG1 THR 8 40.026 21.395 19.477 40 HG21 THR 8 HG21 THR 8 40.597 18.498 21.332 41 HG22 THR 8 HG22 THR 8 41.796 19.693 21.737 42 HG23 THR 8 HG23 THR 8 40.363 19.329 22.895 43 H SER 9 H SER 9 36.028 19.502 21.575 44 HA SER 9 HA SER 9 35.732 21.009 24.021 45 HB2 SER 9 HB2 SER 9 33.553 20.013 24.218 46 HB3 SER 9 HB3 SER 9 33.852 20.172 22.505 47 HG SER 9 HG SER 9 34.620 17.869 22.620 48 H SER 10 H SER 10 37.495 18.008 23.681 49 HA SER 10 HA SER 10 37.141 16.979 26.379 50 HB2 SER 10 HB2 SER 10 39.541 16.819 24.361 51 HB3 SER 10 HB3 SER 10 39.324 15.793 25.770 52 HG SER 10 HG SER 10 37.822 15.970 23.412 53 H GLU 11 H GLU 11 38.894 19.915 25.391 54 HA GLU 11 HA GLU 11 40.439 20.183 27.890 55 HB2 GLU 11 HB2 GLU 11 40.011 22.275 25.945 56 HB3 GLU 11 HB3 GLU 11 41.110 22.257 27.132 57 HG2 GLU 11 HG2 GLU 11 42.290 20.162 26.288 58 HG3 GLU 11 HG3 GLU 11 41.256 20.191 24.933 59 H ILE 12 H ILE 12 37.519 21.400 26.440 60 HA ILE 12 HA ILE 12 37.454 23.495 28.570 61 HB ILE 12 HB ILE 12 35.818 24.800 27.495 62 HG12 ILE 12 HG12 ILE 12 35.758 23.524 24.915 63 HG13 ILE 12 HG13 ILE 12 35.202 22.386 26.090 64 HG21 ILE 12 HG21 ILE 12 37.336 25.433 25.620 65 HG22 ILE 12 HG22 ILE 12 38.262 24.776 27.030 66 HG23 ILE 12 HG23 ILE 12 38.105 23.790 25.656 67 HD11 ILE 12 HD11 ILE 12 34.222 25.334 25.955 68 HD12 ILE 12 HD12 ILE 12 33.461 24.164 24.990 69 HD13 ILE 12 HD13 ILE 12 33.344 23.987 26.704 70 H THR 13 H THR 13 35.698 20.519 28.158 71 HA THR 13 HA THR 13 33.346 20.832 28.855 72 HB THR 13 HB THR 13 34.049 18.706 28.319 73 HG1 THR 13 HG1 THR 13 33.834 17.315 29.942 74 HG21 THR 13 HG21 THR 13 35.766 17.418 29.002 75 HG22 THR 13 HG22 THR 13 36.496 19.056 28.870 76 HG23 THR 13 HG23 THR 13 36.252 18.377 30.413 77 H THR 14 H THR 14 35.900 21.075 31.362 78 HA THR 14 HA THR 14 34.251 20.845 33.726 79 HB THR 14 HB THR 14 36.801 22.535 33.403 80 HG1 THR 14 HG1 THR 14 37.271 20.369 32.899 81 HG21 THR 14 HG21 THR 14 35.725 23.123 35.428 82 HG22 THR 14 HG22 THR 14 35.477 21.611 35.924 83 HG23 THR 14 HG23 THR 14 37.221 22.174 35.767 84 H LYS 15 H LYS 15 35.424 23.748 31.856 85 HA LYS 15 HA LYS 15 33.826 25.782 33.363 86 HB2 LYS 15 HB2 LYS 15 34.782 25.647 30.423 87 HB3 LYS 15 HB3 LYS 15 34.030 27.004 31.321 88 HG2 LYS 15 HG2 LYS 15 35.861 27.376 32.663 89 HG3 LYS 15 HG3 LYS 15 36.676 25.851 32.168 90 HD2 LYS 15 HD2 LYS 15 36.617 26.761 29.732 91 HD3 LYS 15 HD3 LYS 15 36.212 28.273 30.553 92 HE2 LYS 15 HE2 LYS 15 38.228 28.145 31.895 93 HE3 LYS 15 HE3 LYS 15 38.781 26.741 30.886 94 HZ1 LYS 15 HZ1 LYS 15 38.703 28.104 28.991 95 HZ2 LYS 15 HZ2 LYS 15 38.324 29.365 29.836 96 HZ3 LYS 15 HZ3 LYS 15 39.813 28.678 30.052 97 H ASP 16 H ASP 16 33.017 23.571 30.746 98 HA ASP 16 HA ASP 16 30.413 24.627 30.432 99 HB2 ASP 16 HB2 ASP 16 31.524 23.465 28.615 100 HB3 ASP 16 HB3 ASP 16 31.534 21.929 29.574 101 H LEU 17 H LEU 17 31.818 22.153 32.549 102 HA LEU 17 HA LEU 17 29.063 21.346 33.371 103 HB2 LEU 17 HB2 LEU 17 31.863 20.306 34.157 104 HB3 LEU 17 HB3 LEU 17 30.290 19.812 34.876 105 HG LEU 17 HG LEU 17 31.015 19.585 31.846 106 HD11 LEU 17 HD11 LEU 17 31.562 17.641 34.119 107 HD12 LEU 17 HD12 LEU 17 31.345 17.149 32.345 108 HD13 LEU 17 HD13 LEU 17 32.678 18.131 32.877 109 HD21 LEU 17 HD21 LEU 17 29.262 17.842 31.779 110 HD22 LEU 17 HD22 LEU 17 29.130 17.924 33.539 111 HD23 LEU 17 HD23 LEU 17 28.415 19.206 32.463 112 H LYS 18 H LYS 18 31.299 23.477 34.446 113 HA LYS 18 HA LYS 18 29.813 24.164 36.851 114 HB2 LYS 18 HB2 LYS 18 32.156 25.323 35.198 115 HB3 LYS 18 HB3 LYS 18 31.253 26.475 36.178 116 HG2 LYS 18 HG2 LYS 18 33.079 25.652 37.353 117 HG3 LYS 18 HG3 LYS 18 31.502 25.110 38.165 118 HD2 LYS 18 HD2 LYS 18 32.055 22.692 37.385 119 HD3 LYS 18 HD3 LYS 18 33.371 23.341 36.480 120 HE2 LYS 18 HE2 LYS 18 34.071 22.068 38.372 121 HE3 LYS 18 HE3 LYS 18 34.662 23.675 38.599 122 HZ1 LYS 18 HZ1 LYS 18 32.663 24.325 39.884 123 HZ2 LYS 18 HZ2 LYS 18 32.331 22.669 39.971 124 HZ3 LYS 18 HZ3 LYS 18 33.697 23.459 40.594 125 H GLU 19 H GLU 19 29.401 24.853 33.473 126 HA GLU 19 HA GLU 19 27.398 26.870 33.957 127 HB2 GLU 19 HB2 GLU 19 28.645 26.344 31.766 128 HB3 GLU 19 HB3 GLU 19 27.682 25.009 31.405 129 HG2 GLU 19 HG2 GLU 19 25.689 26.768 31.926 130 HG3 GLU 19 HG3 GLU 19 27.055 27.876 31.469 131 H LYS 20 H LYS 20 27.597 23.551 33.394 132 HA LYS 20 HA LYS 20 24.635 23.017 33.611 133 HB2 LYS 20 HB2 LYS 20 26.757 20.889 33.912 134 HB3 LYS 20 HB3 LYS 20 25.028 20.677 33.558 135 HG2 LYS 20 HG2 LYS 20 27.230 21.683 31.673 136 HG3 LYS 20 HG3 LYS 20 26.233 20.284 31.594 137 HD2 LYS 20 HD2 LYS 20 24.144 21.828 31.413 138 HD3 LYS 20 HD3 LYS 20 25.175 23.195 31.437 139 HE2 LYS 20 HE2 LYS 20 25.540 21.083 29.286 140 HE3 LYS 20 HE3 LYS 20 24.418 22.459 29.247 141 HZ1 LYS 20 HZ1 LYS 20 26.349 23.884 29.518 142 HZ2 LYS 20 HZ2 LYS 20 27.368 22.560 29.723 143 HZ3 LYS 20 HZ3 LYS 20 26.920 22.858 28.331 144 H LYS 21 H LYS 21 26.904 23.577 36.048 145 HA LYS 21 HA LYS 21 25.137 22.137 37.999 146 HB2 LYS 21 HB2 LYS 21 28.093 23.159 38.239 147 HB3 LYS 21 HB3 LYS 21 27.137 22.631 39.637 148 HG2 LYS 21 HG2 LYS 21 26.583 20.479 38.683 149 HG3 LYS 21 HG3 LYS 21 27.370 20.903 37.165 150 HD2 LYS 21 HD2 LYS 21 29.595 21.231 38.458 151 HD3 LYS 21 HD3 LYS 21 28.675 20.920 39.900 152 HE2 LYS 21 HE2 LYS 21 29.211 19.053 37.640 153 HE3 LYS 21 HE3 LYS 21 29.880 18.889 39.296 154 HZ1 LYS 21 HZ1 LYS 21 28.251 17.312 39.131 155 HZ2 LYS 21 HZ2 LYS 21 27.567 18.447 39.986 156 HZ3 LYS 21 HZ3 LYS 21 27.143 18.274 38.405 157 H GLU 22 H GLU 22 25.581 25.027 36.702 158 HA GLU 22 HA GLU 22 24.873 26.631 39.214 159 HB2 GLU 22 HB2 GLU 22 27.149 27.352 38.018 160 HB3 GLU 22 HB3 GLU 22 26.092 27.661 36.716 161 HG2 GLU 22 HG2 GLU 22 26.735 29.743 37.949 162 HG3 GLU 22 HG3 GLU 22 25.001 29.532 37.953 163 H VAL 23 H VAL 23 24.207 26.195 35.710 164 HA VAL 23 HA VAL 23 21.880 27.487 35.774 165 HB VAL 23 HB VAL 23 23.215 26.340 33.844 166 HG11 VAL 23 HG11 VAL 23 23.103 24.269 34.465 167 HG12 VAL 23 HG12 VAL 23 21.282 24.168 34.039 168 HG13 VAL 23 HG13 VAL 23 22.593 24.549 32.861 169 HG21 VAL 23 HG21 VAL 23 20.190 26.589 33.711 170 HG22 VAL 23 HG22 VAL 23 21.483 27.752 32.986 171 HG23 VAL 23 HG23 VAL 23 21.003 26.172 32.360 172 H VAL 24 H VAL 24 22.804 24.185 36.682 173 HA VAL 24 HA VAL 24 19.961 23.311 36.879 174 HB VAL 24 HB VAL 24 21.954 21.939 36.060 175 HG11 VAL 24 HG11 VAL 24 22.563 20.270 37.951 176 HG12 VAL 24 HG12 VAL 24 23.022 22.055 38.258 177 HG13 VAL 24 HG13 VAL 24 21.659 21.222 39.088 178 HG21 VAL 24 HG21 VAL 24 19.655 20.728 37.766 179 HG22 VAL 24 HG22 VAL 24 19.439 21.142 36.163 180 HG23 VAL 24 HG23 VAL 24 20.628 19.836 36.601 181 H GLU 25 H GLU 25 22.267 24.345 39.136 182 HA GLU 25 HA GLU 25 20.626 23.629 41.466 183 HB2 GLU 25 HB2 GLU 25 23.103 24.056 41.565 184 HB3 GLU 25 HB3 GLU 25 22.808 25.709 41.013 185 HG2 GLU 25 HG2 GLU 25 21.670 26.239 43.037 186 HG3 GLU 25 HG3 GLU 25 21.770 24.543 43.647 187 H GLU 26 H GLU 26 20.636 26.376 39.155 188 HA GLU 26 HA GLU 26 18.398 27.422 40.648 189 HB2 GLU 26 HB2 GLU 26 19.941 29.015 39.605 190 HB3 GLU 26 HB3 GLU 26 19.887 28.198 38.088 191 HG2 GLU 26 HG2 GLU 26 17.564 28.900 37.767 192 HG3 GLU 26 HG3 GLU 26 17.609 29.671 39.450 193 H ALA 27 H ALA 27 18.616 25.005 38.045 194 HA ALA 27 HA ALA 27 15.801 25.115 37.513 195 HB1 ALA 27 HB1 ALA 27 17.676 22.661 37.334 196 HB2 ALA 27 HB2 ALA 27 16.253 22.961 36.478 197 HB3 ALA 27 HB3 ALA 27 17.601 24.009 36.103 198 H GLU 28 H GLU 28 17.657 23.235 39.609 199 HA GLU 28 HA GLU 28 15.404 21.702 40.787 200 HB2 GLU 28 HB2 GLU 28 18.421 21.784 41.523 201 HB3 GLU 28 HB3 GLU 28 17.218 20.879 42.351 202 HG2 GLU 28 HG2 GLU 28 17.444 20.533 39.437 203 HG3 GLU 28 HG3 GLU 28 18.733 19.764 40.389 204 H ASN 29 H ASN 29 16.674 24.641 41.818 205 HA ASN 29 HA ASN 29 15.949 24.542 44.665 206 HB2 ASN 29 HB2 ASN 29 17.192 26.530 42.806 207 HB3 ASN 29 HB3 ASN 29 16.192 27.205 43.861 208 HD21 ASN 29 HD22 ASN 29 19.242 26.199 43.387 209 HD22 ASN 29 HD21 ASN 29 19.714 25.868 45.016 Start of MODEL 16 1 H1 ACE 1 HH32 ACE 1 38.899 15.815 14.729 2 H2 ACE 1 HH33 ACE 1 38.920 15.860 12.871 3 H3 ACE 1 HH31 ACE 1 39.633 17.145 13.649 4 H SER 2 H SER 2 36.678 15.372 14.370 5 HA SER 2 HA SER 2 34.839 17.162 13.135 6 HB2 SER 2 HB2 SER 2 34.261 15.647 15.594 7 HB3 SER 2 HB3 SER 2 33.052 16.217 14.332 8 HG SER 2 HG SER 2 34.788 14.033 14.342 9 H ASP 3 H ASP 3 36.282 17.220 16.450 10 HA ASP 3 HA ASP 3 34.482 19.112 17.523 11 HB2 ASP 3 HB2 ASP 3 35.563 17.488 18.841 12 HB3 ASP 3 HB3 ASP 3 37.128 18.487 18.610 13 H ALA 4 H ALA 4 36.900 19.649 15.162 14 HA ALA 4 HA ALA 4 37.577 22.398 15.823 15 HB1 ALA 4 HB1 ALA 4 39.083 21.277 14.330 16 HB2 ALA 4 HB2 ALA 4 37.624 20.819 13.336 17 HB3 ALA 4 HB3 ALA 4 38.175 22.486 13.371 18 H ALA 5 H ALA 5 34.855 21.053 13.848 19 HA ALA 5 HA ALA 5 33.628 23.554 13.207 20 HB1 ALA 5 HB1 ALA 5 32.416 20.683 13.554 21 HB2 ALA 5 HB2 ALA 5 31.718 22.051 12.680 22 HB3 ALA 5 HB3 ALA 5 33.259 21.349 12.131 23 H VAL 6 H VAL 6 34.037 22.134 16.264 24 HA VAL 6 HA VAL 6 31.675 23.691 17.344 25 HB VAL 6 HB VAL 6 33.219 21.644 18.846 26 HG11 VAL 6 HG11 VAL 6 30.880 21.654 20.164 27 HG12 VAL 6 HG12 VAL 6 31.448 23.312 19.976 28 HG13 VAL 6 HG13 VAL 6 30.283 22.624 18.838 29 HG21 VAL 6 HG21 VAL 6 30.874 21.056 17.072 30 HG22 VAL 6 HG22 VAL 6 32.575 20.378 17.134 31 HG23 VAL 6 HG23 VAL 6 31.330 20.094 18.476 32 H ASP 7 H ASP 7 34.860 23.967 16.663 33 HA ASP 7 HA ASP 7 36.539 25.339 17.181 34 HB2 ASP 7 HB2 ASP 7 34.857 27.105 17.271 35 HB3 ASP 7 HB3 ASP 7 34.664 26.911 18.946 36 H THR 8 H THR 8 36.365 22.981 18.478 37 HA THR 8 HA THR 8 37.233 21.628 19.976 38 HB THR 8 HB THR 8 39.175 23.868 20.700 39 HG1 THR 8 HG1 THR 8 39.494 23.606 18.759 40 HG21 THR 8 HG21 THR 8 39.368 20.818 21.001 41 HG22 THR 8 HG22 THR 8 40.717 21.823 21.289 42 HG23 THR 8 HG23 THR 8 39.305 21.986 22.372 43 H SER 9 H SER 9 34.938 21.706 20.914 44 HA SER 9 HA SER 9 34.526 22.845 23.462 45 HB2 SER 9 HB2 SER 9 32.709 21.371 23.646 46 HB3 SER 9 HB3 SER 9 32.817 21.885 22.007 47 HG SER 9 HG SER 9 33.904 19.955 21.467 48 H SER 10 H SER 10 36.409 20.023 22.670 49 HA SER 10 HA SER 10 36.634 18.935 25.213 50 HB2 SER 10 HB2 SER 10 38.681 18.901 23.000 51 HB3 SER 10 HB3 SER 10 38.621 17.730 24.185 52 HG SER 10 HG SER 10 36.804 18.278 22.198 53 H GLU 11 H GLU 11 37.995 21.902 24.297 54 HA GLU 11 HA GLU 11 39.788 21.624 26.630 55 HB2 GLU 11 HB2 GLU 11 40.036 23.513 24.401 56 HB3 GLU 11 HB3 GLU 11 40.912 23.630 25.926 57 HG2 GLU 11 HG2 GLU 11 42.070 21.426 25.415 58 HG3 GLU 11 HG3 GLU 11 41.138 21.187 24.016 59 H ILE 12 H ILE 12 36.931 23.298 25.696 60 HA ILE 12 HA ILE 12 37.223 24.897 28.227 61 HB ILE 12 HB ILE 12 35.021 26.050 27.452 62 HG12 ILE 12 HG12 ILE 12 35.328 24.494 24.757 63 HG13 ILE 12 HG13 ILE 12 34.311 23.821 26.032 64 HG21 ILE 12 HG21 ILE 12 37.184 26.069 25.414 65 HG22 ILE 12 HG22 ILE 12 35.851 27.270 25.564 66 HG23 ILE 12 HG23 ILE 12 36.963 27.195 26.886 67 HD11 ILE 12 HD11 ILE 12 32.885 25.808 26.032 68 HD12 ILE 12 HD12 ILE 12 33.899 26.541 24.726 69 HD13 ILE 12 HD13 ILE 12 32.920 25.048 24.544 70 H THR 13 H THR 13 35.759 21.997 27.188 71 HA THR 13 HA THR 13 33.411 21.950 28.472 72 HB THR 13 HB THR 13 34.173 20.059 27.222 73 HG1 THR 13 HG1 THR 13 32.891 19.556 29.270 74 HG21 THR 13 HG21 THR 13 35.945 18.786 27.675 75 HG22 THR 13 HG22 THR 13 36.678 20.347 28.173 76 HG23 THR 13 HG23 THR 13 36.200 19.236 29.414 77 H THR 14 H THR 14 36.429 21.778 30.623 78 HA THR 14 HA THR 14 34.734 21.077 32.850 79 HB THR 14 HB THR 14 37.537 22.420 33.065 80 HG1 THR 14 HG1 THR 14 37.918 20.739 31.819 81 HG21 THR 14 HG21 THR 14 35.970 20.432 34.715 82 HG22 THR 14 HG22 THR 14 37.640 21.012 35.064 83 HG23 THR 14 HG23 THR 14 36.218 22.083 35.141 84 H LYS 15 H LYS 15 35.215 24.054 31.228 85 HA LYS 15 HA LYS 15 34.450 25.981 33.436 86 HB2 LYS 15 HB2 LYS 15 34.707 26.464 30.492 87 HB3 LYS 15 HB3 LYS 15 34.442 27.611 31.721 88 HG2 LYS 15 HG2 LYS 15 36.788 27.161 32.656 89 HG3 LYS 15 HG3 LYS 15 36.998 25.904 31.465 90 HD2 LYS 15 HD2 LYS 15 36.884 27.438 29.726 91 HD3 LYS 15 HD3 LYS 15 36.513 28.793 30.736 92 HE2 LYS 15 HE2 LYS 15 38.577 28.630 32.068 93 HE3 LYS 15 HE3 LYS 15 39.024 27.204 31.167 94 HZ1 LYS 15 HZ1 LYS 15 39.964 29.448 30.490 95 HZ2 LYS 15 HZ2 LYS 15 39.172 28.755 29.208 96 HZ3 LYS 15 HZ3 LYS 15 38.434 29.931 30.039 97 H ASP 16 H ASP 16 33.083 24.146 30.758 98 HA ASP 16 HA ASP 16 30.441 25.193 30.968 99 HB2 ASP 16 HB2 ASP 16 31.694 24.406 28.885 100 HB3 ASP 16 HB3 ASP 16 31.647 22.813 29.479 101 H LEU 17 H LEU 17 32.137 22.624 32.671 102 HA LEU 17 HA LEU 17 29.686 21.192 33.018 103 HB2 LEU 17 HB2 LEU 17 32.527 20.577 33.553 104 HB3 LEU 17 HB3 LEU 17 31.240 19.654 34.404 105 HG LEU 17 HG LEU 17 31.166 20.010 31.510 106 HD11 LEU 17 HD11 LEU 17 33.214 19.045 31.723 107 HD12 LEU 17 HD12 LEU 17 32.582 17.840 32.993 108 HD13 LEU 17 HD13 LEU 17 32.081 17.761 31.233 109 HD21 LEU 17 HD21 LEU 17 30.069 17.642 32.872 110 HD22 LEU 17 HD22 LEU 17 29.104 19.157 32.846 111 HD23 LEU 17 HD23 LEU 17 29.626 18.448 31.375 112 H LYS 18 H LYS 18 31.390 23.698 34.677 113 HA LYS 18 HA LYS 18 30.000 23.377 37.322 114 HB2 LYS 18 HB2 LYS 18 31.946 25.379 36.074 115 HB3 LYS 18 HB3 LYS 18 30.963 25.681 37.507 116 HG2 LYS 18 HG2 LYS 18 32.953 25.143 38.436 117 HG3 LYS 18 HG3 LYS 18 32.166 23.575 38.564 118 HD2 LYS 18 HD2 LYS 18 33.343 23.040 36.270 119 HD3 LYS 18 HD3 LYS 18 34.175 24.521 36.407 120 HE2 LYS 18 HE2 LYS 18 34.271 22.143 38.235 121 HE3 LYS 18 HE3 LYS 18 35.588 22.760 37.218 122 HZ1 LYS 18 HZ1 LYS 18 35.818 24.703 38.686 123 HZ2 LYS 18 HZ2 LYS 18 34.607 24.216 39.629 124 HZ3 LYS 18 HZ3 LYS 18 35.936 23.326 39.559 125 H GLU 19 H GLU 19 29.695 24.898 34.160 126 HA GLU 19 HA GLU 19 27.322 26.375 34.775 127 HB2 GLU 19 HB2 GLU 19 29.041 25.630 32.495 128 HB3 GLU 19 HB3 GLU 19 27.414 25.266 32.048 129 HG2 GLU 19 HG2 GLU 19 26.822 27.625 32.869 130 HG3 GLU 19 HG3 GLU 19 28.457 27.840 33.474 131 H LYS 20 H LYS 20 27.750 23.087 33.682 132 HA LYS 20 HA LYS 20 24.915 22.717 33.364 133 HB2 LYS 20 HB2 LYS 20 27.158 20.769 33.764 134 HB3 LYS 20 HB3 LYS 20 25.612 20.158 33.397 135 HG2 LYS 20 HG2 LYS 20 27.301 21.561 31.323 136 HG3 LYS 20 HG3 LYS 20 26.605 20.004 31.350 137 HD2 LYS 20 HD2 LYS 20 24.379 21.013 31.217 138 HD3 LYS 20 HD3 LYS 20 25.062 22.601 30.846 139 HE2 LYS 20 HE2 LYS 20 25.246 19.948 29.352 140 HE3 LYS 20 HE3 LYS 20 24.417 21.379 28.865 141 HZ1 LYS 20 HZ1 LYS 20 26.565 22.523 28.618 142 HZ2 LYS 20 HZ2 LYS 20 27.369 21.165 29.227 143 HZ3 LYS 20 HZ3 LYS 20 26.655 21.157 27.895 144 H LYS 21 H LYS 21 26.920 22.846 36.138 145 HA LYS 21 HA LYS 21 25.042 21.351 37.975 146 HB2 LYS 21 HB2 LYS 21 27.783 22.461 38.568 147 HB3 LYS 21 HB3 LYS 21 26.686 21.837 39.672 148 HG2 LYS 21 HG2 LYS 21 26.568 19.675 38.840 149 HG3 LYS 21 HG3 LYS 21 27.383 20.130 37.306 150 HD2 LYS 21 HD2 LYS 21 29.484 20.522 38.603 151 HD3 LYS 21 HD3 LYS 21 28.613 20.115 40.091 152 HE2 LYS 21 HE2 LYS 21 29.074 18.335 37.651 153 HE3 LYS 21 HE3 LYS 21 30.181 18.374 39.161 154 HZ1 LYS 21 HZ1 LYS 21 28.567 16.481 39.019 155 HZ2 LYS 21 HZ2 LYS 21 28.322 17.386 40.333 156 HZ3 LYS 21 HZ3 LYS 21 27.332 17.582 39.224 157 H GLU 22 H GLU 22 25.723 24.554 36.860 158 HA GLU 22 HA GLU 22 24.815 26.089 39.200 159 HB2 GLU 22 HB2 GLU 22 26.757 26.689 38.126 160 HB3 GLU 22 HB3 GLU 22 26.064 26.874 36.603 161 HG2 GLU 22 HG2 GLU 22 24.593 28.729 37.480 162 HG3 GLU 22 HG3 GLU 22 25.243 28.580 39.087 163 H VAL 23 H VAL 23 24.018 25.642 35.744 164 HA VAL 23 HA VAL 23 21.482 26.754 35.761 165 HB VAL 23 HB VAL 23 23.074 26.043 33.831 166 HG11 VAL 23 HG11 VAL 23 22.568 23.932 32.568 167 HG12 VAL 23 HG12 VAL 23 23.211 23.542 34.222 168 HG13 VAL 23 HG13 VAL 23 21.474 23.528 33.802 169 HG21 VAL 23 HG21 VAL 23 20.805 27.013 33.376 170 HG22 VAL 23 HG22 VAL 23 21.105 25.630 32.225 171 HG23 VAL 23 HG23 VAL 23 20.175 25.331 33.644 172 H VAL 24 H VAL 24 22.791 23.566 36.620 173 HA VAL 24 HA VAL 24 19.992 22.512 36.703 174 HB VAL 24 HB VAL 24 21.929 21.173 35.964 175 HG11 VAL 24 HG11 VAL 24 23.250 20.016 37.627 176 HG12 VAL 24 HG12 VAL 24 22.912 21.541 38.611 177 HG13 VAL 24 HG13 VAL 24 22.009 20.125 38.910 178 HG21 VAL 24 HG21 VAL 24 20.990 18.992 36.538 179 HG22 VAL 24 HG22 VAL 24 19.874 19.773 37.629 180 HG23 VAL 24 HG23 VAL 24 19.819 20.026 35.981 181 H GLU 25 H GLU 25 22.054 23.864 39.104 182 HA GLU 25 HA GLU 25 20.290 23.417 41.456 183 HB2 GLU 25 HB2 GLU 25 22.723 25.022 40.830 184 HB3 GLU 25 HB3 GLU 25 21.716 25.321 42.322 185 HG2 GLU 25 HG2 GLU 25 23.013 22.739 41.389 186 HG3 GLU 25 HG3 GLU 25 23.736 23.801 42.455 187 H GLU 26 H GLU 26 20.564 25.877 38.963 188 HA GLU 26 HA GLU 26 18.569 27.445 40.300 189 HB2 GLU 26 HB2 GLU 26 19.318 27.222 37.381 190 HB3 GLU 26 HB3 GLU 26 18.101 28.345 37.762 191 HG2 GLU 26 HG2 GLU 26 20.895 28.703 38.709 192 HG3 GLU 26 HG3 GLU 26 19.979 29.702 37.741 193 H ALA 27 H ALA 27 18.182 24.499 38.197 194 HA ALA 27 HA ALA 27 15.381 24.675 37.712 195 HB1 ALA 27 HB1 ALA 27 16.894 22.070 38.094 196 HB2 ALA 27 HB2 ALA 27 15.535 22.717 36.921 197 HB3 ALA 27 HB3 ALA 27 17.153 22.989 36.677 198 H GLU 28 H GLU 28 16.980 23.413 40.537 199 HA GLU 28 HA GLU 28 14.419 23.234 41.989 200 HB2 GLU 28 HB2 GLU 28 16.616 21.561 42.313 201 HB3 GLU 28 HB3 GLU 28 16.650 22.491 43.720 202 HG2 GLU 28 HG2 GLU 28 14.308 22.098 44.391 203 HG3 GLU 28 HG3 GLU 28 14.086 21.118 42.914 204 H ASN 29 H ASN 29 16.530 25.670 41.628 205 HA ASN 29 HA ASN 29 16.094 26.988 44.233 206 HB2 ASN 29 HB2 ASN 29 17.785 27.671 42.296 207 HB3 ASN 29 HB3 ASN 29 16.463 28.214 41.443 208 HD21 ASN 29 HD22 ASN 29 17.775 30.348 41.562 209 HD22 ASN 29 HD21 ASN 29 17.758 31.403 42.994 Start of MODEL 17 1 H1 ACE 1 HH32 ACE 1 43.072 17.497 14.401 2 H2 ACE 1 HH33 ACE 1 43.008 18.934 15.432 3 H3 ACE 1 HH31 ACE 1 42.440 17.358 16.058 4 H SER 2 H SER 2 40.516 16.465 15.426 5 HA SER 2 HA SER 2 38.740 17.652 13.356 6 HB2 SER 2 HB2 SER 2 38.404 15.533 15.382 7 HB3 SER 2 HB3 SER 2 37.155 15.966 14.139 8 HG SER 2 HG SER 2 38.506 14.155 13.568 9 H ASP 3 H ASP 3 38.865 17.730 16.786 10 HA ASP 3 HA ASP 3 36.549 19.351 17.506 11 HB2 ASP 3 HB2 ASP 3 38.259 17.956 18.964 12 HB3 ASP 3 HB3 ASP 3 39.365 19.252 18.717 13 H ALA 4 H ALA 4 39.263 20.426 15.659 14 HA ALA 4 HA ALA 4 39.141 23.180 16.367 15 HB1 ALA 4 HB1 ALA 4 39.527 22.125 13.501 16 HB2 ALA 4 HB2 ALA 4 40.170 23.595 14.158 17 HB3 ALA 4 HB3 ALA 4 40.714 22.056 14.826 18 H ALA 5 H ALA 5 36.874 21.185 14.419 19 HA ALA 5 HA ALA 5 35.346 23.409 13.250 20 HB1 ALA 5 HB1 ALA 5 34.943 20.398 13.510 21 HB2 ALA 5 HB2 ALA 5 33.987 21.508 12.491 22 HB3 ALA 5 HB3 ALA 5 35.787 21.255 12.220 23 H VAL 6 H VAL 6 35.644 22.684 16.365 24 HA VAL 6 HA VAL 6 32.918 23.449 16.980 25 HB VAL 6 HB VAL 6 34.305 21.583 18.891 26 HG11 VAL 6 HG11 VAL 6 31.379 22.294 18.391 27 HG12 VAL 6 HG12 VAL 6 31.834 21.023 19.503 28 HG13 VAL 6 HG13 VAL 6 32.389 22.668 19.822 29 HG21 VAL 6 HG21 VAL 6 32.617 20.460 16.624 30 HG22 VAL 6 HG22 VAL 6 34.304 20.016 17.137 31 HG23 VAL 6 HG23 VAL 6 32.940 19.614 18.184 32 H ASP 7 H ASP 7 35.742 24.572 16.833 33 HA ASP 7 HA ASP 7 37.131 25.973 17.821 34 HB2 ASP 7 HB2 ASP 7 35.148 27.362 17.843 35 HB3 ASP 7 HB3 ASP 7 34.806 26.749 19.467 36 H THR 8 H THR 8 37.807 23.482 18.595 37 HA THR 8 HA THR 8 38.593 22.110 20.365 38 HB THR 8 HB THR 8 39.602 24.776 21.237 39 HG1 THR 8 HG1 THR 8 39.997 24.992 19.221 40 HG21 THR 8 HG21 THR 8 40.907 22.007 21.101 41 HG22 THR 8 HG22 THR 8 41.834 23.591 21.404 42 HG23 THR 8 HG23 THR 8 40.730 23.003 22.543 43 H SER 9 H SER 9 36.339 22.095 20.981 44 HA SER 9 HA SER 9 35.380 23.358 23.434 45 HB2 SER 9 HB2 SER 9 33.557 21.699 23.305 46 HB3 SER 9 HB3 SER 9 33.887 22.322 21.667 47 HG SER 9 HG SER 9 35.277 20.552 21.370 48 H SER 10 H SER 10 37.580 20.632 23.004 49 HA SER 10 HA SER 10 37.070 19.193 25.492 50 HB2 SER 10 HB2 SER 10 39.395 19.315 23.541 51 HB3 SER 10 HB3 SER 10 39.058 17.990 24.774 52 HG SER 10 HG SER 10 37.667 18.588 22.431 53 H GLU 11 H GLU 11 38.571 22.303 24.807 54 HA GLU 11 HA GLU 11 40.350 21.973 27.042 55 HB2 GLU 11 HB2 GLU 11 40.836 23.095 24.687 56 HB3 GLU 11 HB3 GLU 11 39.564 24.192 25.117 57 HG2 GLU 11 HG2 GLU 11 41.005 24.908 27.092 58 HG3 GLU 11 HG3 GLU 11 42.222 23.819 26.395 59 H ILE 12 H ILE 12 37.218 23.427 26.225 60 HA ILE 12 HA ILE 12 37.240 25.115 28.636 61 HB ILE 12 HB ILE 12 35.409 26.267 27.964 62 HG12 ILE 12 HG12 ILE 12 35.252 24.846 25.233 63 HG13 ILE 12 HG13 ILE 12 34.455 24.059 26.491 64 HG21 ILE 12 HG21 ILE 12 37.040 25.927 25.472 65 HG22 ILE 12 HG22 ILE 12 36.241 27.328 25.830 66 HG23 ILE 12 HG23 ILE 12 37.676 26.852 26.824 67 HD11 ILE 12 HD11 ILE 12 32.994 26.092 26.721 68 HD12 ILE 12 HD12 ILE 12 33.903 26.929 25.405 69 HD13 ILE 12 HD13 ILE 12 32.941 25.397 25.149 70 H THR 13 H THR 13 36.142 22.074 27.785 71 HA THR 13 HA THR 13 33.646 21.766 28.718 72 HB THR 13 HB THR 13 34.870 20.031 27.535 73 HG1 THR 13 HG1 THR 13 33.097 19.494 28.754 74 HG21 THR 13 HG21 THR 13 36.995 20.493 28.771 75 HG22 THR 13 HG22 THR 13 36.469 19.418 30.105 76 HG23 THR 13 HG23 THR 13 36.667 18.817 28.446 77 H THR 14 H THR 14 36.220 22.238 30.955 78 HA THR 14 HA THR 14 34.690 21.306 33.360 79 HB THR 14 HB THR 14 37.064 23.198 33.521 80 HG1 THR 14 HG1 THR 14 38.089 21.542 32.483 81 HG21 THR 14 HG21 THR 14 35.611 21.336 35.255 82 HG22 THR 14 HG22 THR 14 37.344 21.982 35.489 83 HG23 THR 14 HG23 THR 14 35.897 23.040 35.434 84 H LYS 15 H LYS 15 35.230 24.196 31.583 85 HA LYS 15 HA LYS 15 33.911 26.041 33.413 86 HB2 LYS 15 HB2 LYS 15 34.829 26.476 30.625 87 HB3 LYS 15 HB3 LYS 15 34.059 27.636 31.533 88 HG2 LYS 15 HG2 LYS 15 36.042 27.407 33.232 89 HG3 LYS 15 HG3 LYS 15 36.684 26.150 32.262 90 HD2 LYS 15 HD2 LYS 15 36.785 27.814 30.230 91 HD3 LYS 15 HD3 LYS 15 35.977 29.055 31.221 92 HE2 LYS 15 HE2 LYS 15 37.807 29.036 32.812 93 HE3 LYS 15 HE3 LYS 15 38.397 27.513 31.951 94 HZ1 LYS 15 HZ1 LYS 15 38.827 29.065 29.966 95 HZ2 LYS 15 HZ2 LYS 15 38.480 30.298 30.825 96 HZ3 LYS 15 HZ3 LYS 15 39.707 29.519 31.326 97 H ASP 16 H ASP 16 33.082 23.948 30.877 98 HA ASP 16 HA ASP 16 30.319 24.809 30.453 99 HB2 ASP 16 HB2 ASP 16 31.633 23.618 28.660 100 HB3 ASP 16 HB3 ASP 16 31.615 22.145 29.614 101 H LEU 17 H LEU 17 31.975 22.327 32.295 102 HA LEU 17 HA LEU 17 29.376 21.266 33.280 103 HB2 LEU 17 HB2 LEU 17 32.285 20.756 33.868 104 HB3 LEU 17 HB3 LEU 17 30.912 19.963 34.821 105 HG LEU 17 HG LEU 17 31.072 19.852 31.687 106 HD11 LEU 17 HD11 LEU 17 33.343 19.092 32.240 107 HD12 LEU 17 HD12 LEU 17 32.848 18.381 33.739 108 HD13 LEU 17 HD13 LEU 17 32.405 17.612 32.208 109 HD21 LEU 17 HD21 LEU 17 30.044 17.631 32.297 110 HD22 LEU 17 HD22 LEU 17 30.190 18.121 34.039 111 HD23 LEU 17 HD23 LEU 17 29.077 18.910 32.960 112 H LYS 18 H LYS 18 31.471 23.806 34.369 113 HA LYS 18 HA LYS 18 29.935 23.965 36.934 114 HB2 LYS 18 HB2 LYS 18 31.978 25.621 35.460 115 HB3 LYS 18 HB3 LYS 18 30.892 26.481 36.573 116 HG2 LYS 18 HG2 LYS 18 32.825 26.006 37.808 117 HG3 LYS 18 HG3 LYS 18 31.600 24.854 38.311 118 HD2 LYS 18 HD2 LYS 18 32.785 23.185 36.668 119 HD3 LYS 18 HD3 LYS 18 33.825 24.327 36.232 120 HE2 LYS 18 HE2 LYS 18 33.860 23.222 39.059 121 HE3 LYS 18 HE3 LYS 18 35.042 22.940 37.814 122 HZ1 LYS 18 HZ1 LYS 18 35.954 24.678 39.233 123 HZ2 LYS 18 HZ2 LYS 18 35.513 25.329 37.807 124 HZ3 LYS 18 HZ3 LYS 18 34.548 25.450 39.151 125 H GLU 19 H GLU 19 29.494 24.972 33.597 126 HA GLU 19 HA GLU 19 27.182 26.694 34.104 127 HB2 GLU 19 HB2 GLU 19 28.601 26.047 31.961 128 HB3 GLU 19 HB3 GLU 19 27.396 24.942 31.626 129 HG2 GLU 19 HG2 GLU 19 25.721 26.770 31.795 130 HG3 GLU 19 HG3 GLU 19 27.017 27.854 32.379 131 H LYS 20 H LYS 20 27.602 23.214 33.361 132 HA LYS 20 HA LYS 20 24.829 22.569 33.323 133 HB2 LYS 20 HB2 LYS 20 27.230 20.617 33.553 134 HB3 LYS 20 HB3 LYS 20 25.604 20.187 33.555 135 HG2 LYS 20 HG2 LYS 20 26.981 21.810 31.462 136 HG3 LYS 20 HG3 LYS 20 26.995 19.982 31.515 137 HD2 LYS 20 HD2 LYS 20 24.518 19.930 30.975 138 HD3 LYS 20 HD3 LYS 20 24.362 21.661 31.183 139 HE2 LYS 20 HE2 LYS 20 25.877 20.073 29.076 140 HE3 LYS 20 HE3 LYS 20 24.487 21.122 28.794 141 HZ1 LYS 20 HZ1 LYS 20 26.364 22.192 28.017 142 HZ2 LYS 20 HZ2 LYS 20 26.036 22.963 29.367 143 HZ3 LYS 20 HZ3 LYS 20 27.257 21.954 29.371 144 H LYS 21 H LYS 21 27.108 22.772 36.021 145 HA LYS 21 HA LYS 21 25.376 21.246 38.034 146 HB2 LYS 21 HB2 LYS 21 28.128 22.638 38.209 147 HB3 LYS 21 HB3 LYS 21 27.352 22.064 39.582 148 HG2 LYS 21 HG2 LYS 21 27.185 19.890 38.742 149 HG3 LYS 21 HG3 LYS 21 27.956 20.340 37.109 150 HD2 LYS 21 HD2 LYS 21 30.047 20.812 38.435 151 HD3 LYS 21 HD3 LYS 21 29.246 20.395 40.001 152 HE2 LYS 21 HE2 LYS 21 29.601 18.297 37.835 153 HE3 LYS 21 HE3 LYS 21 30.655 18.621 39.238 154 HZ1 LYS 21 HZ1 LYS 21 27.846 18.069 39.641 155 HZ2 LYS 21 HZ2 LYS 21 28.894 16.910 39.491 156 HZ3 LYS 21 HZ3 LYS 21 29.158 18.134 40.653 157 H GLU 22 H GLU 22 25.677 24.278 36.979 158 HA GLU 22 HA GLU 22 24.794 25.626 39.555 159 HB2 GLU 22 HB2 GLU 22 26.762 26.620 38.571 160 HB3 GLU 22 HB3 GLU 22 25.911 26.731 37.036 161 HG2 GLU 22 HG2 GLU 22 24.261 28.349 38.128 162 HG3 GLU 22 HG3 GLU 22 25.113 28.278 39.631 163 H VAL 23 H VAL 23 24.148 25.466 35.988 164 HA VAL 23 HA VAL 23 21.435 26.392 36.124 165 HB VAL 23 HB VAL 23 23.081 25.808 34.169 166 HG11 VAL 23 HG11 VAL 23 22.505 23.772 32.812 167 HG12 VAL 23 HG12 VAL 23 23.114 23.376 34.417 168 HG13 VAL 23 HG13 VAL 23 21.355 23.268 34.104 169 HG21 VAL 23 HG21 VAL 23 20.916 26.988 33.794 170 HG22 VAL 23 HG22 VAL 23 20.943 25.696 32.653 171 HG23 VAL 23 HG23 VAL 23 20.084 25.416 34.194 172 H VAL 24 H VAL 24 22.843 23.279 36.825 173 HA VAL 24 HA VAL 24 20.106 22.236 36.632 174 HB VAL 24 HB VAL 24 22.159 20.872 36.134 175 HG11 VAL 24 HG11 VAL 24 23.220 19.559 37.858 176 HG12 VAL 24 HG12 VAL 24 23.057 21.192 38.669 177 HG13 VAL 24 HG13 VAL 24 21.924 19.916 38.997 178 HG21 VAL 24 HG21 VAL 24 19.892 19.507 37.570 179 HG22 VAL 24 HG22 VAL 24 20.164 19.978 35.805 180 HG23 VAL 24 HG23 VAL 24 21.153 18.819 36.571 181 H GLU 25 H GLU 25 22.140 23.292 39.304 182 HA GLU 25 HA GLU 25 20.069 22.552 41.238 183 HB2 GLU 25 HB2 GLU 25 22.563 24.210 41.299 184 HB3 GLU 25 HB3 GLU 25 21.391 24.217 42.664 185 HG2 GLU 25 HG2 GLU 25 22.709 21.654 41.492 186 HG3 GLU 25 HG3 GLU 25 23.642 22.631 42.544 187 H GLU 26 H GLU 26 20.884 25.604 39.495 188 HA GLU 26 HA GLU 26 18.979 27.147 40.768 189 HB2 GLU 26 HB2 GLU 26 20.254 27.266 37.965 190 HB3 GLU 26 HB3 GLU 26 19.167 28.489 38.509 191 HG2 GLU 26 HG2 GLU 26 21.644 27.889 39.920 192 HG3 GLU 26 HG3 GLU 26 21.285 29.237 38.793 193 H ALA 27 H ALA 27 18.459 24.745 38.140 194 HA ALA 27 HA ALA 27 15.765 25.406 37.552 195 HB1 ALA 27 HB1 ALA 27 17.264 22.773 37.576 196 HB2 ALA 27 HB2 ALA 27 15.606 23.053 36.785 197 HB3 ALA 27 HB3 ALA 27 17.158 23.719 36.122 198 H GLU 28 H GLU 28 17.102 23.664 40.340 199 HA GLU 28 HA GLU 28 14.564 23.054 41.549 200 HB2 GLU 28 HB2 GLU 28 17.284 23.212 42.755 201 HB3 GLU 28 HB3 GLU 28 15.885 22.477 43.495 202 HG2 GLU 28 HG2 GLU 28 16.851 21.339 40.831 203 HG3 GLU 28 HG3 GLU 28 17.564 20.784 42.395 204 H ASN 29 H ASN 29 16.331 26.132 41.513 205 HA ASN 29 HA ASN 29 15.871 27.031 44.266 206 HB2 ASN 29 HB2 ASN 29 17.906 27.335 42.906 207 HB3 ASN 29 HB3 ASN 29 17.037 28.491 41.878 208 HD21 ASN 29 HD22 ASN 29 18.994 29.489 42.716 209 HD22 ASN 29 HD21 ASN 29 18.871 30.454 44.231 Start of MODEL 18 1 H1 ACE 1 HH32 ACE 1 38.251 18.270 12.556 2 H2 ACE 1 HH33 ACE 1 38.402 17.600 14.156 3 H3 ACE 1 HH31 ACE 1 37.791 16.633 12.714 4 H SER 2 H SER 2 35.835 16.329 14.119 5 HA SER 2 HA SER 2 33.929 18.284 13.580 6 HB2 SER 2 HB2 SER 2 33.409 16.097 15.706 7 HB3 SER 2 HB3 SER 2 32.323 16.729 14.646 8 HG SER 2 HG SER 2 34.525 15.118 13.812 9 H ASP 3 H ASP 3 35.913 18.616 16.128 10 HA ASP 3 HA ASP 3 33.859 20.122 17.755 11 HB2 ASP 3 HB2 ASP 3 35.711 18.686 18.830 12 HB3 ASP 3 HB3 ASP 3 36.923 19.871 18.252 13 H ALA 4 H ALA 4 35.471 20.882 14.912 14 HA ALA 4 HA ALA 4 36.204 23.672 15.446 15 HB1 ALA 4 HB1 ALA 4 37.094 22.147 13.750 16 HB2 ALA 4 HB2 ALA 4 35.450 22.176 12.906 17 HB3 ALA 4 HB3 ALA 4 36.316 23.663 13.046 18 H ALA 5 H ALA 5 33.435 22.095 14.018 19 HA ALA 5 HA ALA 5 31.686 24.338 13.912 20 HB1 ALA 5 HB1 ALA 5 31.004 21.448 13.699 21 HB2 ALA 5 HB2 ALA 5 29.982 22.647 13.448 22 HB3 ALA 5 HB3 ALA 5 31.353 22.692 12.345 23 H VAL 6 H VAL 6 32.763 22.817 16.791 24 HA VAL 6 HA VAL 6 30.490 24.306 18.083 25 HB VAL 6 HB VAL 6 31.959 21.865 19.305 26 HG11 VAL 6 HG11 VAL 6 29.889 21.905 20.762 27 HG12 VAL 6 HG12 VAL 6 31.151 23.107 21.056 28 HG13 VAL 6 HG13 VAL 6 29.608 23.524 20.343 29 HG21 VAL 6 HG21 VAL 6 29.235 21.943 17.853 30 HG22 VAL 6 HG22 VAL 6 30.613 20.862 17.372 31 HG23 VAL 6 HG23 VAL 6 29.658 20.592 18.838 32 H ASP 7 H ASP 7 33.532 24.951 17.241 33 HA ASP 7 HA ASP 7 35.264 26.023 17.851 34 HB2 ASP 7 HB2 ASP 7 33.244 27.702 18.205 35 HB3 ASP 7 HB3 ASP 7 33.749 27.676 19.910 36 H THR 8 H THR 8 35.786 23.780 18.801 37 HA THR 8 HA THR 8 37.161 22.629 20.164 38 HB THR 8 HB THR 8 38.481 24.990 21.259 39 HG1 THR 8 HG1 THR 8 38.317 25.241 18.932 40 HG21 THR 8 HG21 THR 8 39.545 22.286 20.473 41 HG22 THR 8 HG22 THR 8 40.350 23.464 21.300 42 HG23 THR 8 HG23 THR 8 39.120 22.631 22.157 43 H SER 9 H SER 9 34.697 22.699 21.083 44 HA SER 9 HA SER 9 34.355 23.637 23.736 45 HB2 SER 9 HB2 SER 9 32.618 21.897 23.988 46 HB3 SER 9 HB3 SER 9 32.511 22.881 22.472 47 HG SER 9 HG SER 9 33.545 21.109 21.377 48 H SER 10 H SER 10 35.771 20.623 22.672 49 HA SER 10 HA SER 10 36.295 19.324 25.076 50 HB2 SER 10 HB2 SER 10 38.192 19.150 22.754 51 HB3 SER 10 HB3 SER 10 37.811 18.030 23.943 52 HG SER 10 HG SER 10 36.353 19.007 21.737 53 H GLU 11 H GLU 11 37.487 22.397 24.540 54 HA GLU 11 HA GLU 11 39.716 21.828 26.495 55 HB2 GLU 11 HB2 GLU 11 39.682 23.697 24.049 56 HB3 GLU 11 HB3 GLU 11 40.677 24.046 25.487 57 HG2 GLU 11 HG2 GLU 11 41.437 21.630 25.225 58 HG3 GLU 11 HG3 GLU 11 41.039 21.749 23.581 59 H ILE 12 H ILE 12 36.757 23.629 25.970 60 HA ILE 12 HA ILE 12 37.181 25.052 28.488 61 HB ILE 12 HB ILE 12 35.041 26.217 27.990 62 HG12 ILE 12 HG12 ILE 12 35.156 24.836 25.314 63 HG13 ILE 12 HG13 ILE 12 34.060 24.423 26.674 64 HG21 ILE 12 HG21 ILE 12 36.818 26.627 25.642 65 HG22 ILE 12 HG22 ILE 12 35.852 27.823 26.578 66 HG23 ILE 12 HG23 ILE 12 37.331 26.971 27.220 67 HD11 ILE 12 HD11 ILE 12 33.858 27.256 25.506 68 HD12 ILE 12 HD12 ILE 12 32.918 25.768 25.035 69 HD13 ILE 12 HD13 ILE 12 32.915 26.285 26.672 70 H THR 13 H THR 13 35.622 22.249 27.336 71 HA THR 13 HA THR 13 33.266 21.945 28.549 72 HB THR 13 HB THR 13 34.182 20.345 27.154 73 HG1 THR 13 HG1 THR 13 32.802 19.494 28.785 74 HG21 THR 13 HG21 THR 13 36.077 18.666 27.797 75 HG22 THR 13 HG22 THR 13 36.571 20.326 27.533 76 HG23 THR 13 HG23 THR 13 36.457 19.754 29.227 77 H THR 14 H THR 14 36.192 21.885 30.590 78 HA THR 14 HA THR 14 34.756 21.058 32.777 79 HB THR 14 HB THR 14 37.140 22.916 32.787 80 HG1 THR 14 HG1 THR 14 37.646 21.023 31.868 81 HG21 THR 14 HG21 THR 14 36.882 20.909 34.965 82 HG22 THR 14 HG22 THR 14 37.139 22.619 35.115 83 HG23 THR 14 HG23 THR 14 35.453 21.878 34.930 84 H LYS 15 H LYS 15 35.320 24.340 31.570 85 HA LYS 15 HA LYS 15 33.987 25.721 33.672 86 HB2 LYS 15 HB2 LYS 15 34.563 26.425 30.788 87 HB3 LYS 15 HB3 LYS 15 33.744 27.571 31.844 88 HG2 LYS 15 HG2 LYS 15 35.748 27.779 33.093 89 HG3 LYS 15 HG3 LYS 15 36.581 26.385 32.333 90 HD2 LYS 15 HD2 LYS 15 36.377 27.686 30.108 91 HD3 LYS 15 HD3 LYS 15 36.005 29.050 31.230 92 HE2 LYS 15 HE2 LYS 15 38.339 28.701 32.198 93 HE3 LYS 15 HE3 LYS 15 38.583 27.387 31.146 94 HZ1 LYS 15 HZ1 LYS 15 38.456 30.296 30.595 95 HZ2 LYS 15 HZ2 LYS 15 39.537 29.082 30.352 96 HZ3 LYS 15 HZ3 LYS 15 38.362 29.176 29.331 97 H ASP 16 H ASP 16 32.954 24.227 30.664 98 HA ASP 16 HA ASP 16 30.286 25.076 30.631 99 HB2 ASP 16 HB2 ASP 16 31.414 23.980 28.663 100 HB3 ASP 16 HB3 ASP 16 31.353 22.437 29.597 101 H LEU 17 H LEU 17 32.026 22.375 32.506 102 HA LEU 17 HA LEU 17 29.440 21.343 33.040 103 HB2 LEU 17 HB2 LEU 17 32.265 20.482 33.627 104 HB3 LEU 17 HB3 LEU 17 31.100 19.614 34.511 105 HG LEU 17 HG LEU 17 30.531 19.724 31.677 106 HD11 LEU 17 HD11 LEU 17 32.711 18.824 31.419 107 HD12 LEU 17 HD12 LEU 17 32.611 17.735 32.902 108 HD13 LEU 17 HD13 LEU 17 31.696 17.415 31.436 109 HD21 LEU 17 HD21 LEU 17 30.120 17.398 33.689 110 HD22 LEU 17 HD22 LEU 17 28.950 18.742 33.324 111 HD23 LEU 17 HD23 LEU 17 29.484 17.646 32.078 112 H LYS 18 H LYS 18 31.503 23.597 34.673 113 HA LYS 18 HA LYS 18 29.989 23.548 37.240 114 HB2 LYS 18 HB2 LYS 18 31.756 25.821 36.170 115 HB3 LYS 18 HB3 LYS 18 30.864 25.899 37.605 116 HG2 LYS 18 HG2 LYS 18 33.040 25.235 38.372 117 HG3 LYS 18 HG3 LYS 18 32.037 23.772 38.404 118 HD2 LYS 18 HD2 LYS 18 33.280 23.064 36.339 119 HD3 LYS 18 HD3 LYS 18 34.065 24.617 36.239 120 HE2 LYS 18 HE2 LYS 18 34.620 22.564 38.247 121 HE3 LYS 18 HE3 LYS 18 35.716 23.211 36.962 122 HZ1 LYS 18 HZ1 LYS 18 35.656 25.309 38.396 123 HZ2 LYS 18 HZ2 LYS 18 34.788 24.347 39.455 124 HZ3 LYS 18 HZ3 LYS 18 36.233 23.885 39.187 125 H GLU 19 H GLU 19 29.542 24.775 34.062 126 HA GLU 19 HA GLU 19 27.196 26.429 34.725 127 HB2 GLU 19 HB2 GLU 19 28.292 25.609 32.055 128 HB3 GLU 19 HB3 GLU 19 26.649 26.346 32.196 129 HG2 GLU 19 HG2 GLU 19 27.595 28.358 33.262 130 HG3 GLU 19 HG3 GLU 19 29.201 27.730 33.062 131 H LYS 20 H LYS 20 27.684 23.121 33.389 132 HA LYS 20 HA LYS 20 24.975 22.483 33.484 133 HB2 LYS 20 HB2 LYS 20 27.408 20.727 33.853 134 HB3 LYS 20 HB3 LYS 20 25.807 20.151 33.770 135 HG2 LYS 20 HG2 LYS 20 27.464 21.634 31.597 136 HG3 LYS 20 HG3 LYS 20 26.932 19.942 31.611 137 HD2 LYS 20 HD2 LYS 20 24.560 20.606 31.338 138 HD3 LYS 20 HD3 LYS 20 25.148 22.309 31.170 139 HE2 LYS 20 HE2 LYS 20 26.160 20.101 29.473 140 HE3 LYS 20 HE3 LYS 20 24.648 20.828 29.053 141 HZ1 LYS 20 HZ1 LYS 20 26.052 22.935 28.811 142 HZ2 LYS 20 HZ2 LYS 20 27.285 21.897 29.101 143 HZ3 LYS 20 HZ3 LYS 20 26.209 21.787 27.800 144 H LYS 21 H LYS 21 27.073 23.021 36.138 145 HA LYS 21 HA LYS 21 25.508 21.401 37.999 146 HB2 LYS 21 HB2 LYS 21 28.195 22.661 38.242 147 HB3 LYS 21 HB3 LYS 21 27.346 22.141 39.667 148 HG2 LYS 21 HG2 LYS 21 26.930 19.871 38.312 149 HG3 LYS 21 HG3 LYS 21 28.273 20.550 37.337 150 HD2 LYS 21 HD2 LYS 21 29.637 20.735 39.374 151 HD3 LYS 21 HD3 LYS 21 28.331 19.845 40.263 152 HE2 LYS 21 HE2 LYS 21 28.518 18.026 38.763 153 HE3 LYS 21 HE3 LYS 21 29.921 18.622 37.961 154 HZ1 LYS 21 HZ1 LYS 21 30.965 18.666 40.365 155 HZ2 LYS 21 HZ2 LYS 21 29.796 17.626 40.729 156 HZ3 LYS 21 HZ3 LYS 21 30.859 17.261 39.541 157 H GLU 22 H GLU 22 25.637 24.343 36.805 158 HA GLU 22 HA GLU 22 24.937 25.906 39.177 159 HB2 GLU 22 HB2 GLU 22 26.728 27.046 38.074 160 HB3 GLU 22 HB3 GLU 22 25.914 26.847 36.568 161 HG2 GLU 22 HG2 GLU 22 24.095 28.527 37.561 162 HG3 GLU 22 HG3 GLU 22 24.914 28.391 39.081 163 H VAL 23 H VAL 23 24.010 25.761 35.762 164 HA VAL 23 HA VAL 23 21.329 26.414 35.777 165 HB VAL 23 HB VAL 23 22.954 25.690 33.858 166 HG11 VAL 23 HG11 VAL 23 22.576 23.450 32.846 167 HG12 VAL 23 HG12 VAL 23 23.348 23.318 34.470 168 HG13 VAL 23 HG13 VAL 23 21.553 22.946 34.121 169 HG21 VAL 23 HG21 VAL 23 20.577 26.415 33.699 170 HG22 VAL 23 HG22 VAL 23 21.047 25.321 32.299 171 HG23 VAL 23 HG23 VAL 23 20.079 24.670 33.559 172 H VAL 24 H VAL 24 22.794 23.441 36.573 173 HA VAL 24 HA VAL 24 20.215 22.028 36.744 174 HB VAL 24 HB VAL 24 22.470 21.086 36.130 175 HG11 VAL 24 HG11 VAL 24 23.481 19.904 38.026 176 HG12 VAL 24 HG12 VAL 24 23.573 21.626 38.218 177 HG13 VAL 24 HG13 VAL 24 22.503 20.787 39.275 178 HG21 VAL 24 HG21 VAL 24 21.761 18.867 36.480 179 HG22 VAL 24 HG22 VAL 24 20.623 19.335 37.834 180 HG23 VAL 24 HG23 VAL 24 20.265 19.697 36.187 181 H GLU 25 H GLU 25 22.100 23.642 39.133 182 HA GLU 25 HA GLU 25 20.370 22.851 41.444 183 HB2 GLU 25 HB2 GLU 25 22.630 24.903 41.230 184 HB3 GLU 25 HB3 GLU 25 21.721 24.590 42.661 185 HG2 GLU 25 HG2 GLU 25 23.031 22.231 41.367 186 HG3 GLU 25 HG3 GLU 25 24.035 23.482 42.113 187 H GLU 26 H GLU 26 20.769 25.604 39.399 188 HA GLU 26 HA GLU 26 18.722 27.351 40.475 189 HB2 GLU 26 HB2 GLU 26 19.707 27.216 37.588 190 HB3 GLU 26 HB3 GLU 26 18.613 28.286 38.254 191 HG2 GLU 26 HG2 GLU 26 21.562 28.237 38.680 192 HG3 GLU 26 HG3 GLU 26 20.598 29.554 38.145 193 H ALA 27 H ALA 27 18.423 24.709 38.160 194 HA ALA 27 HA ALA 27 15.722 25.248 37.628 195 HB1 ALA 27 HB1 ALA 27 17.059 22.489 37.649 196 HB2 ALA 27 HB2 ALA 27 15.606 22.855 36.794 197 HB3 ALA 27 HB3 ALA 27 17.210 23.676 36.324 198 H GLU 28 H GLU 28 17.097 24.096 40.462 199 HA GLU 28 HA GLU 28 14.601 23.168 41.667 200 HB2 GLU 28 HB2 GLU 28 17.468 22.973 42.797 201 HB3 GLU 28 HB3 GLU 28 16.016 22.525 43.626 202 HG2 GLU 28 HG2 GLU 28 16.498 21.118 40.897 203 HG3 GLU 28 HG3 GLU 28 17.372 20.601 42.280 204 H ASN 29 H ASN 29 16.424 26.032 41.366 205 HA ASN 29 HA ASN 29 15.993 27.244 43.973 206 HB2 ASN 29 HB2 ASN 29 17.833 27.548 42.423 207 HB3 ASN 29 HB3 ASN 29 16.722 28.486 41.342 208 HD21 ASN 29 HD22 ASN 29 18.188 30.315 41.674 209 HD22 ASN 29 HD21 ASN 29 17.978 31.324 43.107 Start of MODEL 19 1 H1 ACE 1 HH32 ACE 1 38.925 15.956 13.667 2 H2 ACE 1 HH33 ACE 1 38.331 14.538 14.652 3 H3 ACE 1 HH31 ACE 1 37.856 14.870 12.924 4 H SER 2 H SER 2 35.691 14.555 14.367 5 HA SER 2 HA SER 2 34.454 16.961 13.570 6 HB2 SER 2 HB2 SER 2 33.000 15.038 15.531 7 HB3 SER 2 HB3 SER 2 32.534 15.745 13.959 8 HG SER 2 HG SER 2 32.981 13.612 13.488 9 H ASP 3 H ASP 3 35.536 16.331 16.943 10 HA ASP 3 HA ASP 3 33.975 18.589 17.960 11 HB2 ASP 3 HB2 ASP 3 34.573 16.752 19.332 12 HB3 ASP 3 HB3 ASP 3 36.317 17.075 19.086 13 H ALA 4 H ALA 4 37.370 18.415 16.630 14 HA ALA 4 HA ALA 4 38.328 20.881 17.264 15 HB1 ALA 4 HB1 ALA 4 39.781 20.422 15.396 16 HB2 ALA 4 HB2 ALA 4 39.250 18.822 16.028 17 HB3 ALA 4 HB3 ALA 4 38.495 19.431 14.591 18 H ALA 5 H ALA 5 35.715 20.390 14.915 19 HA ALA 5 HA ALA 5 35.710 23.243 14.056 20 HB1 ALA 5 HB1 ALA 5 34.788 21.569 12.586 21 HB2 ALA 5 HB2 ALA 5 33.544 21.017 13.786 22 HB3 ALA 5 HB3 ALA 5 33.578 22.688 13.065 23 H VAL 6 H VAL 6 34.701 21.688 17.017 24 HA VAL 6 HA VAL 6 33.540 24.318 17.765 25 HB VAL 6 HB VAL 6 33.440 21.575 19.180 26 HG11 VAL 6 HG11 VAL 6 31.656 23.956 19.381 27 HG12 VAL 6 HG12 VAL 6 31.228 22.519 20.246 28 HG13 VAL 6 HG13 VAL 6 32.608 23.559 20.661 29 HG21 VAL 6 HG21 VAL 6 31.311 22.624 17.309 30 HG22 VAL 6 HG22 VAL 6 32.437 21.098 17.099 31 HG23 VAL 6 HG23 VAL 6 31.224 21.153 18.331 32 H ASP 7 H ASP 7 36.187 23.590 17.322 33 HA ASP 7 HA ASP 7 38.208 23.684 18.049 34 HB2 ASP 7 HB2 ASP 7 37.480 26.003 18.326 35 HB3 ASP 7 HB3 ASP 7 37.371 25.712 20.064 36 H THR 8 H THR 8 36.836 21.524 19.232 37 HA THR 8 HA THR 8 37.240 19.778 20.626 38 HB THR 8 HB THR 8 39.770 21.005 21.632 39 HG1 THR 8 HG1 THR 8 40.916 20.039 20.018 40 HG21 THR 8 HG21 THR 8 39.144 18.149 20.927 41 HG22 THR 8 HG22 THR 8 40.581 18.741 21.767 42 HG23 THR 8 HG23 THR 8 39.037 18.894 22.596 43 H SER 9 H SER 9 35.413 20.524 21.589 44 HA SER 9 HA SER 9 35.448 22.032 24.034 45 HB2 SER 9 HB2 SER 9 33.172 21.271 24.441 46 HB3 SER 9 HB3 SER 9 33.290 21.868 22.767 47 HG SER 9 HG SER 9 33.613 19.616 22.118 48 H SER 10 H SER 10 36.128 18.836 23.277 49 HA SER 10 HA SER 10 35.967 17.569 25.958 50 HB2 SER 10 HB2 SER 10 37.849 16.929 23.726 51 HB3 SER 10 HB3 SER 10 37.433 15.901 25.008 52 HG SER 10 HG SER 10 35.883 16.884 22.840 53 H GLU 11 H GLU 11 38.315 19.976 24.636 54 HA GLU 11 HA GLU 11 40.095 19.497 27.019 55 HB2 GLU 11 HB2 GLU 11 40.281 21.739 24.975 56 HB3 GLU 11 HB3 GLU 11 41.342 21.294 26.226 57 HG2 GLU 11 HG2 GLU 11 42.057 19.171 25.084 58 HG3 GLU 11 HG3 GLU 11 41.008 19.651 23.753 59 H ILE 12 H ILE 12 37.921 22.051 26.095 60 HA ILE 12 HA ILE 12 38.251 23.367 28.631 61 HB ILE 12 HB ILE 12 36.896 25.169 27.601 62 HG12 ILE 12 HG12 ILE 12 36.071 24.221 25.137 63 HG13 ILE 12 HG13 ILE 12 35.553 23.019 26.279 64 HG21 ILE 12 HG21 ILE 12 37.948 25.685 25.596 65 HG22 ILE 12 HG22 ILE 12 39.136 24.855 26.665 66 HG23 ILE 12 HG23 ILE 12 38.380 24.045 25.245 67 HD11 ILE 12 HD11 ILE 12 33.848 24.661 25.791 68 HD12 ILE 12 HD12 ILE 12 34.059 24.432 27.480 69 HD13 ILE 12 HD13 ILE 12 34.762 25.874 26.761 70 H THR 13 H THR 13 35.800 21.043 27.824 71 HA THR 13 HA THR 13 33.497 21.599 28.893 72 HB THR 13 HB THR 13 33.992 19.479 27.873 73 HG1 THR 13 HG1 THR 13 32.519 19.418 29.658 74 HG21 THR 13 HG21 THR 13 35.463 17.928 28.342 75 HG22 THR 13 HG22 THR 13 36.355 19.483 28.549 76 HG23 THR 13 HG23 THR 13 35.818 18.705 29.995 77 H THR 14 H THR 14 36.253 21.289 31.168 78 HA THR 14 HA THR 14 34.336 20.852 33.277 79 HB THR 14 HB THR 14 36.758 22.412 34.124 80 HG1 THR 14 HG1 THR 14 37.401 20.784 32.562 81 HG21 THR 14 HG21 THR 14 35.190 19.977 35.197 82 HG22 THR 14 HG22 THR 14 36.348 21.052 35.995 83 HG23 THR 14 HG23 THR 14 34.780 21.711 35.550 84 H LYS 15 H LYS 15 35.482 23.849 31.880 85 HA LYS 15 HA LYS 15 34.021 25.669 33.374 86 HB2 LYS 15 HB2 LYS 15 34.507 25.807 30.224 87 HB3 LYS 15 HB3 LYS 15 34.350 27.090 31.397 88 HG2 LYS 15 HG2 LYS 15 36.498 26.340 32.549 89 HG3 LYS 15 HG3 LYS 15 36.769 25.216 31.385 90 HD2 LYS 15 HD2 LYS 15 38.062 27.202 30.966 91 HD3 LYS 15 HD3 LYS 15 36.915 27.068 29.660 92 HE2 LYS 15 HE2 LYS 15 35.467 28.671 30.484 93 HE3 LYS 15 HE3 LYS 15 36.222 28.711 32.099 94 HZ1 LYS 15 HZ1 LYS 15 37.069 29.783 29.547 95 HZ2 LYS 15 HZ2 LYS 15 36.766 30.611 30.739 96 HZ3 LYS 15 HZ3 LYS 15 38.186 29.701 30.728 97 H ASP 16 H ASP 16 32.829 23.734 30.635 98 HA ASP 16 HA ASP 16 30.188 24.955 30.454 99 HB2 ASP 16 HB2 ASP 16 31.423 23.700 28.586 100 HB3 ASP 16 HB3 ASP 16 31.120 22.223 29.512 101 H LEU 17 H LEU 17 31.749 22.363 32.484 102 HA LEU 17 HA LEU 17 29.111 21.344 33.277 103 HB2 LEU 17 HB2 LEU 17 31.867 20.592 34.068 104 HB3 LEU 17 HB3 LEU 17 30.484 19.893 34.900 105 HG LEU 17 HG LEU 17 30.801 19.769 31.828 106 HD11 LEU 17 HD11 LEU 17 32.621 18.570 33.035 107 HD12 LEU 17 HD12 LEU 17 31.357 17.666 33.985 108 HD13 LEU 17 HD13 LEU 17 31.500 17.357 32.354 109 HD21 LEU 17 HD21 LEU 17 29.042 18.482 33.994 110 HD22 LEU 17 HD22 LEU 17 28.537 19.365 32.437 111 HD23 LEU 17 HD23 LEU 17 29.226 17.747 32.381 112 H LYS 18 H LYS 18 31.567 23.612 34.651 113 HA LYS 18 HA LYS 18 30.136 24.222 36.941 114 HB2 LYS 18 HB2 LYS 18 32.043 25.680 35.109 115 HB3 LYS 18 HB3 LYS 18 31.179 26.635 36.085 116 HG2 LYS 18 HG2 LYS 18 33.209 26.356 36.985 117 HG3 LYS 18 HG3 LYS 18 32.183 25.491 38.169 118 HD2 LYS 18 HD2 LYS 18 32.972 23.281 37.193 119 HD3 LYS 18 HD3 LYS 18 33.996 24.316 36.123 120 HE2 LYS 18 HE2 LYS 18 34.237 24.550 39.142 121 HE3 LYS 18 HE3 LYS 18 35.080 23.276 38.199 122 HZ1 LYS 18 HZ1 LYS 18 36.474 25.152 38.456 123 HZ2 LYS 18 HZ2 LYS 18 36.129 24.889 36.982 124 HZ3 LYS 18 HZ3 LYS 18 35.517 26.169 37.835 125 H GLU 19 H GLU 19 29.439 24.868 33.586 126 HA GLU 19 HA GLU 19 27.288 26.796 34.222 127 HB2 GLU 19 HB2 GLU 19 28.281 25.668 31.726 128 HB3 GLU 19 HB3 GLU 19 26.650 25.536 31.776 129 HG2 GLU 19 HG2 GLU 19 26.551 28.095 32.528 130 HG3 GLU 19 HG3 GLU 19 28.240 28.099 32.304 131 H LYS 20 H LYS 20 27.451 23.361 33.160 132 HA LYS 20 HA LYS 20 24.618 23.015 33.488 133 HB2 LYS 20 HB2 LYS 20 26.610 20.713 33.762 134 HB3 LYS 20 HB3 LYS 20 24.931 20.619 33.447 135 HG2 LYS 20 HG2 LYS 20 26.970 21.637 31.605 136 HG3 LYS 20 HG3 LYS 20 25.902 20.201 31.382 137 HD2 LYS 20 HD2 LYS 20 23.892 21.894 31.299 138 HD3 LYS 20 HD3 LYS 20 25.055 23.115 31.171 139 HE2 LYS 20 HE2 LYS 20 25.056 20.598 29.353 140 HE3 LYS 20 HE3 LYS 20 24.039 21.944 28.979 141 HZ1 LYS 20 HZ1 LYS 20 25.939 23.405 28.765 142 HZ2 LYS 20 HZ2 LYS 20 26.988 22.173 29.000 143 HZ3 LYS 20 HZ3 LYS 20 25.986 22.157 27.743 144 H LYS 21 H LYS 21 27.077 22.572 35.915 145 HA LYS 21 HA LYS 21 25.082 21.547 37.868 146 HB2 LYS 21 HB2 LYS 21 28.121 22.063 38.167 147 HB3 LYS 21 HB3 LYS 21 27.160 21.549 39.413 148 HG2 LYS 21 HG2 LYS 21 27.031 20.163 36.713 149 HG3 LYS 21 HG3 LYS 21 28.257 19.778 37.896 150 HD2 LYS 21 HD2 LYS 21 26.418 19.071 39.546 151 HD3 LYS 21 HD3 LYS 21 25.249 19.350 38.131 152 HE2 LYS 21 HE2 LYS 21 26.449 17.591 36.902 153 HE3 LYS 21 HE3 LYS 21 27.807 17.737 37.949 154 HZ1 LYS 21 HZ1 LYS 21 25.211 16.884 38.976 155 HZ2 LYS 21 HZ2 LYS 21 26.361 15.778 38.497 156 HZ3 LYS 21 HZ3 LYS 21 26.600 16.792 39.717 157 H GLU 22 H GLU 22 25.772 24.439 36.830 158 HA GLU 22 HA GLU 22 24.990 26.023 39.280 159 HB2 GLU 22 HB2 GLU 22 26.903 26.994 38.321 160 HB3 GLU 22 HB3 GLU 22 26.015 27.378 36.835 161 HG2 GLU 22 HG2 GLU 22 24.340 28.669 38.374 162 HG3 GLU 22 HG3 GLU 22 25.241 28.259 39.731 163 H VAL 23 H VAL 23 24.207 25.948 35.680 164 HA VAL 23 HA VAL 23 21.558 26.819 35.900 165 HB VAL 23 HB VAL 23 23.129 26.020 33.823 166 HG11 VAL 23 HG11 VAL 23 23.018 23.672 34.278 167 HG12 VAL 23 HG12 VAL 23 21.257 23.671 33.908 168 HG13 VAL 23 HG13 VAL 23 22.390 24.102 32.683 169 HG21 VAL 23 HG21 VAL 23 20.934 27.268 33.401 170 HG22 VAL 23 HG22 VAL 23 21.098 25.988 32.306 171 HG23 VAL 23 HG23 VAL 23 19.982 25.795 33.710 172 H VAL 24 H VAL 24 22.932 23.810 36.630 173 HA VAL 24 HA VAL 24 20.174 22.725 36.888 174 HB VAL 24 HB VAL 24 21.854 21.182 35.867 175 HG11 VAL 24 HG11 VAL 24 21.717 20.030 38.796 176 HG12 VAL 24 HG12 VAL 24 22.833 19.386 37.640 177 HG13 VAL 24 HG13 VAL 24 23.192 20.936 38.312 178 HG21 VAL 24 HG21 VAL 24 19.709 20.316 37.645 179 HG22 VAL 24 HG22 VAL 24 19.638 20.826 36.008 180 HG23 VAL 24 HG23 VAL 24 20.585 19.354 36.348 181 H GLU 25 H GLU 25 22.165 24.249 38.846 182 HA GLU 25 HA GLU 25 20.878 23.459 41.446 183 HB2 GLU 25 HB2 GLU 25 23.184 23.486 41.596 184 HB3 GLU 25 HB3 GLU 25 23.223 25.150 40.899 185 HG2 GLU 25 HG2 GLU 25 21.906 25.846 42.696 186 HG3 GLU 25 HG3 GLU 25 22.009 24.241 43.547 187 H GLU 26 H GLU 26 20.734 26.034 39.011 188 HA GLU 26 HA GLU 26 18.942 27.722 40.813 189 HB2 GLU 26 HB2 GLU 26 20.564 28.634 39.051 190 HB3 GLU 26 HB3 GLU 26 19.505 27.818 37.855 191 HG2 GLU 26 HG2 GLU 26 17.787 29.204 38.049 192 HG3 GLU 26 HG3 GLU 26 17.996 29.512 39.791 193 H ALA 27 H ALA 27 18.707 25.208 38.379 194 HA ALA 27 HA ALA 27 15.904 25.369 37.878 195 HB1 ALA 27 HB1 ALA 27 17.286 24.271 36.277 196 HB2 ALA 27 HB2 ALA 27 17.899 23.104 37.590 197 HB3 ALA 27 HB3 ALA 27 16.280 22.963 36.851 198 H GLU 28 H GLU 28 17.549 24.156 40.589 199 HA GLU 28 HA GLU 28 15.706 22.049 41.502 200 HB2 GLU 28 HB2 GLU 28 17.903 23.506 42.880 201 HB3 GLU 28 HB3 GLU 28 16.666 22.562 43.763 202 HG2 GLU 28 HG2 GLU 28 17.188 20.541 42.346 203 HG3 GLU 28 HG3 GLU 28 18.460 21.419 41.494 204 H ASN 29 H ASN 29 16.188 25.383 42.079 205 HA ASN 29 HA ASN 29 14.461 25.877 44.379 206 HB2 ASN 29 HB2 ASN 29 16.501 27.551 43.699 207 HB3 ASN 29 HB3 ASN 29 15.338 28.004 42.450 208 HD21 ASN 29 HD22 ASN 29 14.115 29.697 43.109 209 HD22 ASN 29 HD21 ASN 29 13.855 30.227 44.750 Start of MODEL 20 1 H1 ACE 1 HH32 ACE 1 33.515 16.186 14.267 2 H2 ACE 1 HH33 ACE 1 33.790 15.172 15.767 3 H3 ACE 1 HH31 ACE 1 32.584 14.695 14.726 4 H SER 2 H SER 2 31.984 14.862 17.155 5 HA SER 2 HA SER 2 29.673 16.406 17.286 6 HB2 SER 2 HB2 SER 2 31.095 14.848 19.479 7 HB3 SER 2 HB3 SER 2 29.362 15.433 19.377 8 HG SER 2 HG SER 2 29.632 13.245 18.575 9 H ASP 3 H ASP 3 32.914 16.988 18.336 10 HA ASP 3 HA ASP 3 32.281 19.266 20.119 11 HB2 ASP 3 HB2 ASP 3 33.426 17.538 21.133 12 HB3 ASP 3 HB3 ASP 3 34.832 17.829 19.979 13 H ALA 4 H ALA 4 33.901 18.515 17.055 14 HA ALA 4 HA ALA 4 34.941 21.207 16.547 15 HB1 ALA 4 HB1 ALA 4 33.739 19.361 14.471 16 HB2 ALA 4 HB2 ALA 4 34.824 20.665 14.248 17 HB3 ALA 4 HB3 ALA 4 35.364 19.230 15.154 18 H ALA 5 H ALA 5 31.711 19.798 16.195 19 HA ALA 5 HA ALA 5 30.225 22.178 15.232 20 HB1 ALA 5 HB1 ALA 5 29.292 19.849 17.003 21 HB2 ALA 5 HB2 ALA 5 28.343 20.779 15.709 22 HB3 ALA 5 HB3 ALA 5 29.571 19.861 15.250 23 H VAL 6 H VAL 6 31.620 21.521 18.314 24 HA VAL 6 HA VAL 6 30.293 23.896 19.477 25 HB VAL 6 HB VAL 6 31.621 21.775 21.274 26 HG11 VAL 6 HG11 VAL 6 29.534 22.643 22.655 27 HG12 VAL 6 HG12 VAL 6 30.788 23.905 22.301 28 HG13 VAL 6 HG13 VAL 6 29.198 23.692 21.315 29 HG21 VAL 6 HG21 VAL 6 28.818 21.580 20.638 30 HG22 VAL 6 HG22 VAL 6 30.238 20.651 19.838 31 HG23 VAL 6 HG23 VAL 6 29.937 20.459 21.520 32 H ASP 7 H ASP 7 32.956 23.637 17.849 33 HA ASP 7 HA ASP 7 34.656 24.809 17.406 34 HB2 ASP 7 HB2 ASP 7 33.197 26.720 18.261 35 HB3 ASP 7 HB3 ASP 7 34.107 26.624 19.669 36 H THR 8 H THR 8 35.118 22.544 18.862 37 HA THR 8 HA THR 8 36.483 21.311 19.971 38 HB THR 8 HB THR 8 38.582 23.392 19.654 39 HG1 THR 8 HG1 THR 8 37.649 22.859 17.691 40 HG21 THR 8 HG21 THR 8 39.275 21.275 21.032 41 HG22 THR 8 HG22 THR 8 38.853 20.393 19.638 42 HG23 THR 8 HG23 THR 8 40.194 21.508 19.448 43 H SER 9 H SER 9 34.898 21.993 21.709 44 HA SER 9 HA SER 9 35.865 23.710 23.797 45 HB2 SER 9 HB2 SER 9 33.849 23.749 24.620 46 HB3 SER 9 HB3 SER 9 33.643 23.635 22.971 47 HG SER 9 HG SER 9 33.271 21.348 23.007 48 H SER 10 H SER 10 36.470 20.429 23.110 49 HA SER 10 HA SER 10 36.279 19.256 25.586 50 HB2 SER 10 HB2 SER 10 38.526 19.023 23.382 51 HB3 SER 10 HB3 SER 10 38.372 17.907 24.646 52 HG SER 10 HG SER 10 36.433 18.428 22.706 53 H GLU 11 H GLU 11 38.476 21.755 24.842 54 HA GLU 11 HA GLU 11 40.437 21.276 27.084 55 HB2 GLU 11 HB2 GLU 11 39.910 23.894 25.478 56 HB3 GLU 11 HB3 GLU 11 41.067 23.712 26.720 57 HG2 GLU 11 HG2 GLU 11 41.932 21.598 25.249 58 HG3 GLU 11 HG3 GLU 11 40.621 22.109 24.192 59 H ILE 12 H ILE 12 37.755 23.300 26.537 60 HA ILE 12 HA ILE 12 37.903 24.280 29.331 61 HB ILE 12 HB ILE 12 36.339 26.171 28.559 62 HG12 ILE 12 HG12 ILE 12 36.249 24.853 25.860 63 HG13 ILE 12 HG13 ILE 12 35.156 24.163 27.095 64 HG21 ILE 12 HG21 ILE 12 38.671 26.477 27.835 65 HG22 ILE 12 HG22 ILE 12 38.236 25.648 26.283 66 HG23 ILE 12 HG23 ILE 12 37.426 27.125 26.684 67 HD11 ILE 12 HD11 ILE 12 35.119 27.189 26.238 68 HD12 ILE 12 HD12 ILE 12 33.908 25.891 25.743 69 HD13 ILE 12 HD13 ILE 12 34.143 26.314 27.441 70 H THR 13 H THR 13 36.131 21.822 27.880 71 HA THR 13 HA THR 13 33.615 21.895 28.778 72 HB THR 13 HB THR 13 34.634 20.146 27.462 73 HG1 THR 13 HG1 THR 13 32.680 19.610 28.298 74 HG21 THR 13 HG21 THR 13 35.756 18.169 28.701 75 HG22 THR 13 HG22 THR 13 36.661 19.744 28.700 76 HG23 THR 13 HG23 THR 13 35.899 19.277 30.138 77 H THR 14 H THR 14 36.109 21.665 31.301 78 HA THR 14 HA THR 14 34.170 20.739 33.270 79 HB THR 14 HB THR 14 36.803 22.364 33.656 80 HG1 THR 14 HG1 THR 14 37.896 20.513 33.621 81 HG21 THR 14 HG21 THR 14 34.865 20.999 35.559 82 HG22 THR 14 HG22 THR 14 36.607 21.100 35.969 83 HG23 THR 14 HG23 THR 14 35.587 22.527 35.785 84 H LYS 15 H LYS 15 35.383 23.789 32.157 85 HA LYS 15 HA LYS 15 33.839 25.566 33.874 86 HB2 LYS 15 HB2 LYS 15 34.750 26.173 31.045 87 HB3 LYS 15 HB3 LYS 15 34.423 27.366 32.331 88 HG2 LYS 15 HG2 LYS 15 36.521 26.626 33.551 89 HG3 LYS 15 HG3 LYS 15 36.875 25.555 32.199 90 HD2 LYS 15 HD2 LYS 15 37.407 27.398 30.764 91 HD3 LYS 15 HD3 LYS 15 36.511 28.603 31.742 92 HE2 LYS 15 HE2 LYS 15 38.275 28.419 33.486 93 HE3 LYS 15 HE3 LYS 15 39.025 27.184 32.556 94 HZ1 LYS 15 HZ1 LYS 15 38.481 29.791 31.452 95 HZ2 LYS 15 HZ2 LYS 15 40.008 29.428 32.100 96 HZ3 LYS 15 HZ3 LYS 15 39.280 28.749 30.715 97 H ASP 16 H ASP 16 33.049 23.699 30.909 98 HA ASP 16 HA ASP 16 30.501 25.098 30.641 99 HB2 ASP 16 HB2 ASP 16 31.527 24.172 28.630 100 HB3 ASP 16 HB3 ASP 16 31.498 22.517 29.272 101 H LEU 17 H LEU 17 31.827 22.411 32.486 102 HA LEU 17 HA LEU 17 29.055 21.492 32.863 103 HB2 LEU 17 HB2 LEU 17 31.776 20.336 33.589 104 HB3 LEU 17 HB3 LEU 17 30.186 19.514 34.100 105 HG LEU 17 HG LEU 17 30.664 20.284 31.172 106 HD11 LEU 17 HD11 LEU 17 31.600 17.722 32.589 107 HD12 LEU 17 HD12 LEU 17 31.303 17.968 30.828 108 HD13 LEU 17 HD13 LEU 17 32.579 18.897 31.639 109 HD21 LEU 17 HD21 LEU 17 29.182 18.494 30.922 110 HD22 LEU 17 HD22 LEU 17 29.172 18.041 32.619 111 HD23 LEU 17 HD23 LEU 17 28.427 19.565 32.197 112 H LYS 18 H LYS 18 31.335 23.483 34.670 113 HA LYS 18 HA LYS 18 29.600 23.596 37.033 114 HB2 LYS 18 HB2 LYS 18 31.879 25.188 35.910 115 HB3 LYS 18 HB3 LYS 18 30.976 26.025 37.200 116 HG2 LYS 18 HG2 LYS 18 32.602 25.200 38.421 117 HG3 LYS 18 HG3 LYS 18 31.419 23.942 38.651 118 HD2 LYS 18 HD2 LYS 18 32.237 22.479 36.936 119 HD3 LYS 18 HD3 LYS 18 33.648 23.578 36.655 120 HE2 LYS 18 HE2 LYS 18 32.834 21.842 39.000 121 HE3 LYS 18 HE3 LYS 18 34.368 21.893 38.150 122 HZ1 LYS 18 HZ1 LYS 18 34.888 23.881 39.053 123 HZ2 LYS 18 HZ2 LYS 18 33.499 24.119 39.833 124 HZ3 LYS 18 HZ3 LYS 18 34.560 22.910 40.398 125 H GLU 19 H GLU 19 29.604 25.111 33.973 126 HA GLU 19 HA GLU 19 27.403 26.750 34.599 127 HB2 GLU 19 HB2 GLU 19 28.977 26.652 32.632 128 HB3 GLU 19 HB3 GLU 19 27.812 25.637 31.772 129 HG2 GLU 19 HG2 GLU 19 26.059 27.086 32.009 130 HG3 GLU 19 HG3 GLU 19 26.925 28.237 32.987 131 H LYS 20 H LYS 20 27.645 23.539 33.121 132 HA LYS 20 HA LYS 20 24.838 22.945 33.192 133 HB2 LYS 20 HB2 LYS 20 27.176 20.976 33.263 134 HB3 LYS 20 HB3 LYS 20 25.529 20.529 33.057 135 HG2 LYS 20 HG2 LYS 20 27.118 22.326 31.183 136 HG3 LYS 20 HG3 LYS 20 26.885 20.679 30.856 137 HD2 LYS 20 HD2 LYS 20 24.383 21.104 30.899 138 HD3 LYS 20 HD3 LYS 20 24.795 22.808 30.986 139 HE2 LYS 20 HE2 LYS 20 25.228 20.780 28.735 140 HE3 LYS 20 HE3 LYS 20 24.312 22.206 28.492 141 HZ1 LYS 20 HZ1 LYS 20 26.359 23.541 28.417 142 HZ2 LYS 20 HZ2 LYS 20 27.218 22.275 29.003 143 HZ3 LYS 20 HZ3 LYS 20 26.601 22.250 27.486 144 H LYS 21 H LYS 21 26.729 23.198 35.776 145 HA LYS 21 HA LYS 21 25.131 21.500 37.713 146 HB2 LYS 21 HB2 LYS 21 27.843 22.856 37.925 147 HB3 LYS 21 HB3 LYS 21 27.009 22.256 39.386 148 HG2 LYS 21 HG2 LYS 21 26.927 20.050 38.558 149 HG3 LYS 21 HG3 LYS 21 27.462 20.419 36.996 150 HD2 LYS 21 HD2 LYS 21 29.727 21.210 38.100 151 HD3 LYS 21 HD3 LYS 21 29.051 20.706 39.697 152 HE2 LYS 21 HE2 LYS 21 28.674 18.528 37.677 153 HE3 LYS 21 HE3 LYS 21 30.285 19.083 37.629 154 HZ1 LYS 21 HZ1 LYS 21 29.982 17.321 39.262 155 HZ2 LYS 21 HZ2 LYS 21 30.337 18.665 40.012 156 HZ3 LYS 21 HZ3 LYS 21 28.788 18.088 40.005 157 H GLU 22 H GLU 22 25.413 24.550 36.492 158 HA GLU 22 HA GLU 22 24.649 25.846 39.017 159 HB2 GLU 22 HB2 GLU 22 26.596 26.907 38.087 160 HB3 GLU 22 HB3 GLU 22 25.851 26.949 36.445 161 HG2 GLU 22 HG2 GLU 22 24.306 28.597 37.135 162 HG3 GLU 22 HG3 GLU 22 24.725 28.301 38.844 163 H VAL 23 H VAL 23 23.836 25.868 35.526 164 HA VAL 23 HA VAL 23 21.235 26.719 35.588 165 HB VAL 23 HB VAL 23 22.518 25.748 33.506 166 HG11 VAL 23 HG11 VAL 23 23.203 23.543 34.469 167 HG12 VAL 23 HG12 VAL 23 21.569 22.981 34.206 168 HG13 VAL 23 HG13 VAL 23 22.506 23.527 32.840 169 HG21 VAL 23 HG21 VAL 23 19.964 26.173 33.756 170 HG22 VAL 23 HG22 VAL 23 20.512 25.270 32.411 171 HG23 VAL 23 HG23 VAL 23 19.856 24.360 33.833 172 H VAL 24 H VAL 24 22.678 23.587 36.472 173 HA VAL 24 HA VAL 24 20.067 22.399 37.132 174 HB VAL 24 HB VAL 24 22.851 21.587 37.111 175 HG11 VAL 24 HG11 VAL 24 22.703 19.539 38.320 176 HG12 VAL 24 HG12 VAL 24 22.554 20.863 39.509 177 HG13 VAL 24 HG13 VAL 24 21.183 19.847 38.947 178 HG21 VAL 24 HG21 VAL 24 20.281 20.103 36.499 179 HG22 VAL 24 HG22 VAL 24 21.261 21.042 35.304 180 HG23 VAL 24 HG23 VAL 24 21.936 19.616 36.145 181 H GLU 25 H GLU 25 22.474 23.942 39.418 182 HA GLU 25 HA GLU 25 20.936 23.522 41.640 183 HB2 GLU 25 HB2 GLU 25 23.269 24.020 41.366 184 HB3 GLU 25 HB3 GLU 25 22.864 25.619 40.811 185 HG2 GLU 25 HG2 GLU 25 21.681 26.024 43.063 186 HG3 GLU 25 HG3 GLU 25 21.982 24.345 43.462 187 H GLU 26 H GLU 26 20.790 25.925 39.138 188 HA GLU 26 HA GLU 26 18.532 27.407 40.306 189 HB2 GLU 26 HB2 GLU 26 19.950 27.692 37.567 190 HB3 GLU 26 HB3 GLU 26 18.637 28.652 38.109 191 HG2 GLU 26 HG2 GLU 26 21.197 28.397 39.807 192 HG3 GLU 26 HG3 GLU 26 21.208 29.486 38.523 193 H ALA 27 H ALA 27 18.573 24.850 38.163 194 HA ALA 27 HA ALA 27 15.701 24.910 37.547 195 HB1 ALA 27 HB1 ALA 27 16.218 22.278 37.236 196 HB2 ALA 27 HB2 ALA 27 16.824 23.598 36.165 197 HB3 ALA 27 HB3 ALA 27 17.886 22.829 37.334 198 H GLU 28 H GLU 28 17.688 23.507 40.272 199 HA GLU 28 HA GLU 28 15.679 22.234 41.776 200 HB2 GLU 28 HB2 GLU 28 17.979 21.494 41.629 201 HB3 GLU 28 HB3 GLU 28 18.562 23.120 42.152 202 HG2 GLU 28 HG2 GLU 28 17.595 22.798 44.295 203 HG3 GLU 28 HG3 GLU 28 17.044 21.176 43.886 204 H ASN 29 H ASN 29 16.792 25.455 41.751 205 HA ASN 29 HA ASN 29 16.064 26.517 44.370 206 HB2 ASN 29 HB2 ASN 29 17.714 27.354 42.692 207 HB3 ASN 29 HB3 ASN 29 16.290 27.993 41.775 208 HD21 ASN 29 HD22 ASN 29 17.784 30.007 42.226 209 HD22 ASN 29 HD21 ASN 29 17.248 30.749 43.759 Start of MODEL 21 1 H1 ACE 1 HH32 ACE 1 38.791 15.966 13.066 2 H2 ACE 1 HH33 ACE 1 39.693 16.579 14.308 3 H3 ACE 1 HH31 ACE 1 38.592 15.246 14.741 4 H SER 2 H SER 2 36.076 16.000 14.443 5 HA SER 2 HA SER 2 35.380 18.554 13.598 6 HB2 SER 2 HB2 SER 2 33.131 17.974 14.849 7 HB3 SER 2 HB3 SER 2 33.752 16.865 13.608 8 HG SER 2 HG SER 2 33.239 15.646 15.342 9 H ASP 3 H ASP 3 36.246 17.492 16.679 10 HA ASP 3 HA ASP 3 35.507 19.931 18.118 11 HB2 ASP 3 HB2 ASP 3 35.616 17.696 19.073 12 HB3 ASP 3 HB3 ASP 3 37.326 17.644 18.903 13 H ALA 4 H ALA 4 38.339 19.477 16.044 14 HA ALA 4 HA ALA 4 40.056 21.321 17.379 15 HB1 ALA 4 HB1 ALA 4 41.157 19.580 16.109 16 HB2 ALA 4 HB2 ALA 4 40.171 19.797 14.648 17 HB3 ALA 4 HB3 ALA 4 41.311 20.933 15.081 18 H ALA 5 H ALA 5 37.454 21.320 14.766 19 HA ALA 5 HA ALA 5 37.896 24.082 14.022 20 HB1 ALA 5 HB1 ALA 5 35.522 23.912 13.108 21 HB2 ALA 5 HB2 ALA 5 36.546 22.523 12.762 22 HB3 ALA 5 HB3 ALA 5 35.263 22.527 14.024 23 H VAL 6 H VAL 6 36.824 22.679 17.131 24 HA VAL 6 HA VAL 6 35.504 25.224 18.004 25 HB VAL 6 HB VAL 6 35.308 22.465 19.068 26 HG11 VAL 6 HG11 VAL 6 33.185 23.464 20.167 27 HG12 VAL 6 HG12 VAL 6 34.485 24.585 20.589 28 HG13 VAL 6 HG13 VAL 6 33.360 24.897 19.303 29 HG21 VAL 6 HG21 VAL 6 33.290 23.701 17.325 30 HG22 VAL 6 HG22 VAL 6 34.198 22.327 16.940 31 HG23 VAL 6 HG23 VAL 6 32.968 22.303 18.361 32 H ASP 7 H ASP 7 38.359 24.328 17.681 33 HA ASP 7 HA ASP 7 40.325 24.567 18.809 34 HB2 ASP 7 HB2 ASP 7 39.229 26.864 19.065 35 HB3 ASP 7 HB3 ASP 7 38.875 26.329 20.731 36 H THR 8 H THR 8 39.086 22.346 19.365 37 HA THR 8 HA THR 8 38.959 20.520 20.561 38 HB THR 8 HB THR 8 41.552 21.336 21.663 39 HG1 THR 8 HG1 THR 8 41.557 21.270 19.569 40 HG21 THR 8 HG21 THR 8 41.689 18.675 21.640 41 HG22 THR 8 HG22 THR 8 40.815 19.484 22.984 42 HG23 THR 8 HG23 THR 8 39.997 18.609 21.586 43 H SER 9 H SER 9 36.957 21.638 21.492 44 HA SER 9 HA SER 9 37.089 22.473 24.078 45 HB2 SER 9 HB2 SER 9 34.497 22.770 23.807 46 HB3 SER 9 HB3 SER 9 35.396 22.938 22.275 47 HG SER 9 HG SER 9 34.789 20.780 21.820 48 H SER 10 H SER 10 37.270 19.494 23.011 49 HA SER 10 HA SER 10 36.259 17.941 25.139 50 HB2 SER 10 HB2 SER 10 38.864 17.390 23.608 51 HB3 SER 10 HB3 SER 10 37.880 16.230 24.584 52 HG SER 10 HG SER 10 37.296 17.407 22.153 53 H GLU 11 H GLU 11 38.923 20.200 25.239 54 HA GLU 11 HA GLU 11 39.754 19.239 27.861 55 HB2 GLU 11 HB2 GLU 11 40.720 21.536 26.117 56 HB3 GLU 11 HB3 GLU 11 41.422 21.231 27.670 57 HG2 GLU 11 HG2 GLU 11 42.131 19.039 27.210 58 HG3 GLU 11 HG3 GLU 11 41.343 19.037 25.543 59 H ILE 12 H ILE 12 37.769 21.708 26.538 60 HA ILE 12 HA ILE 12 38.093 23.639 28.750 61 HB ILE 12 HB ILE 12 36.757 25.141 27.867 62 HG12 ILE 12 HG12 ILE 12 35.860 24.361 25.296 63 HG13 ILE 12 HG13 ILE 12 35.659 23.025 26.214 64 HG21 ILE 12 HG21 ILE 12 39.052 25.140 26.775 65 HG22 ILE 12 HG22 ILE 12 38.406 24.110 25.513 66 HG23 ILE 12 HG23 ILE 12 37.780 25.681 25.647 67 HD11 ILE 12 HD11 ILE 12 34.409 25.846 26.677 68 HD12 ILE 12 HD12 ILE 12 33.647 24.456 26.098 69 HD13 ILE 12 HD13 ILE 12 34.068 24.447 27.830 70 H THR 13 H THR 13 36.109 21.122 28.159 71 HA THR 13 HA THR 13 33.671 21.459 29.031 72 HB THR 13 HB THR 13 34.015 19.511 28.051 73 HG1 THR 13 HG1 THR 13 32.573 19.209 29.743 74 HG21 THR 13 HG21 THR 13 35.589 17.727 28.912 75 HG22 THR 13 HG22 THR 13 36.484 19.316 28.781 76 HG23 THR 13 HG23 THR 13 35.941 18.836 30.340 77 H THR 14 H THR 14 36.264 21.442 31.527 78 HA THR 14 HA THR 14 34.188 21.070 33.585 79 HB THR 14 HB THR 14 36.885 22.195 34.224 80 HG1 THR 14 HG1 THR 14 37.278 20.435 33.180 81 HG21 THR 14 HG21 THR 14 36.278 20.939 36.333 82 HG22 THR 14 HG22 THR 14 35.496 22.556 35.995 83 HG23 THR 14 HG23 THR 14 34.581 21.143 35.767 84 H LYS 15 H LYS 15 35.082 23.743 31.799 85 HA LYS 15 HA LYS 15 33.879 25.790 33.624 86 HB2 LYS 15 HB2 LYS 15 34.834 25.988 30.677 87 HB3 LYS 15 HB3 LYS 15 34.095 27.309 31.612 88 HG2 LYS 15 HG2 LYS 15 35.924 27.599 33.026 89 HG3 LYS 15 HG3 LYS 15 36.551 26.022 32.688 90 HD2 LYS 15 HD2 LYS 15 37.100 26.709 30.468 91 HD3 LYS 15 HD3 LYS 15 36.425 28.418 30.802 92 HE2 LYS 15 HE2 LYS 15 38.215 28.483 32.705 93 HE3 LYS 15 HE3 LYS 15 38.816 26.951 31.986 94 HZ1 LYS 15 HZ1 LYS 15 40.015 28.891 31.185 95 HZ2 LYS 15 HZ2 LYS 15 39.327 27.944 30.061 96 HZ3 LYS 15 HZ3 LYS 15 38.630 29.430 30.510 97 H ASP 16 H ASP 16 33.232 24.045 30.722 98 HA ASP 16 HA ASP 16 30.548 25.011 30.250 99 HB2 ASP 16 HB2 ASP 16 31.952 23.856 28.605 100 HB3 ASP 16 HB3 ASP 16 31.627 22.311 29.480 101 H LEU 17 H LEU 17 31.787 22.533 32.350 102 HA LEU 17 HA LEU 17 29.173 21.421 33.063 103 HB2 LEU 17 HB2 LEU 17 32.002 20.726 33.830 104 HB3 LEU 17 HB3 LEU 17 30.483 19.830 34.374 105 HG LEU 17 HG LEU 17 31.296 20.226 31.492 106 HD11 LEU 17 HD11 LEU 17 31.570 17.923 33.403 107 HD12 LEU 17 HD12 LEU 17 31.911 17.911 31.683 108 HD13 LEU 17 HD13 LEU 17 32.963 18.860 32.785 109 HD21 LEU 17 HD21 LEU 17 28.914 19.782 31.523 110 HD22 LEU 17 HD22 LEU 17 29.830 18.469 30.941 111 HD23 LEU 17 HD23 LEU 17 29.169 18.357 32.635 112 H LYS 18 H LYS 18 31.455 23.554 34.842 113 HA LYS 18 HA LYS 18 29.605 23.767 37.032 114 HB2 LYS 18 HB2 LYS 18 32.147 25.139 36.112 115 HB3 LYS 18 HB3 LYS 18 31.150 26.042 37.250 116 HG2 LYS 18 HG2 LYS 18 32.504 24.949 38.571 117 HG3 LYS 18 HG3 LYS 18 31.074 23.937 38.622 118 HD2 LYS 18 HD2 LYS 18 32.325 22.366 36.851 119 HD3 LYS 18 HD3 LYS 18 33.628 23.481 36.837 120 HE2 LYS 18 HE2 LYS 18 32.554 21.770 39.071 121 HE3 LYS 18 HE3 LYS 18 34.054 21.495 38.269 122 HZ1 LYS 18 HZ1 LYS 18 34.370 22.652 40.597 123 HZ2 LYS 18 HZ2 LYS 18 34.630 23.737 39.452 124 HZ3 LYS 18 HZ3 LYS 18 33.200 23.623 40.207 125 H GLU 19 H GLU 19 29.589 24.983 33.802 126 HA GLU 19 HA GLU 19 27.376 26.792 34.453 127 HB2 GLU 19 HB2 GLU 19 28.913 25.858 32.033 128 HB3 GLU 19 HB3 GLU 19 27.238 25.924 31.689 129 HG2 GLU 19 HG2 GLU 19 27.121 28.280 32.608 130 HG3 GLU 19 HG3 GLU 19 28.803 28.209 32.943 131 H LYS 20 H LYS 20 27.585 23.414 33.127 132 HA LYS 20 HA LYS 20 24.828 22.863 33.191 133 HB2 LYS 20 HB2 LYS 20 27.083 20.789 33.776 134 HB3 LYS 20 HB3 LYS 20 25.419 20.284 33.493 135 HG2 LYS 20 HG2 LYS 20 27.354 21.406 31.334 136 HG3 LYS 20 HG3 LYS 20 26.300 19.919 31.437 137 HD2 LYS 20 HD2 LYS 20 24.409 21.383 31.104 138 HD3 LYS 20 HD3 LYS 20 25.387 22.827 30.983 139 HE2 LYS 20 HE2 LYS 20 25.716 20.552 28.977 140 HE3 LYS 20 HE3 LYS 20 24.732 21.993 28.863 141 HZ1 LYS 20 HZ1 LYS 20 27.123 21.859 28.034 142 HZ2 LYS 20 HZ2 LYS 20 26.707 23.314 28.721 143 HZ3 LYS 20 HZ3 LYS 20 27.648 22.258 29.541 144 H LYS 21 H LYS 21 26.900 22.932 35.921 145 HA LYS 21 HA LYS 21 24.796 21.831 37.753 146 HB2 LYS 21 HB2 LYS 21 27.668 22.760 38.246 147 HB3 LYS 21 HB3 LYS 21 26.637 22.579 39.656 148 HG2 LYS 21 HG2 LYS 21 27.313 20.397 37.642 149 HG3 LYS 21 HG3 LYS 21 27.966 20.687 39.286 150 HD2 LYS 21 HD2 LYS 21 25.567 20.569 40.099 151 HD3 LYS 21 HD3 LYS 21 25.121 19.831 38.506 152 HE2 LYS 21 HE2 LYS 21 26.455 17.996 38.596 153 HE3 LYS 21 HE3 LYS 21 27.562 18.468 39.719 154 HZ1 LYS 21 HZ1 LYS 21 26.078 18.681 41.508 155 HZ2 LYS 21 HZ2 LYS 21 24.875 18.224 40.629 156 HZ3 LYS 21 HZ3 LYS 21 25.985 17.090 40.904 157 H GLU 22 H GLU 22 25.384 24.778 36.528 158 HA GLU 22 HA GLU 22 24.446 26.461 38.936 159 HB2 GLU 22 HB2 GLU 22 26.293 27.347 37.515 160 HB3 GLU 22 HB3 GLU 22 25.267 27.313 36.185 161 HG2 GLU 22 HG2 GLU 22 23.797 28.984 36.774 162 HG3 GLU 22 HG3 GLU 22 23.903 28.591 38.426 163 H VAL 23 H VAL 23 23.853 25.979 35.297 164 HA VAL 23 HA VAL 23 21.060 26.625 35.373 165 HB VAL 23 HB VAL 23 22.812 25.832 33.507 166 HG11 VAL 23 HG11 VAL 23 22.222 23.674 32.387 167 HG12 VAL 23 HG12 VAL 23 23.025 23.702 33.982 168 HG13 VAL 23 HG13 VAL 23 21.314 23.232 33.828 169 HG21 VAL 23 HG21 VAL 23 20.880 25.553 31.849 170 HG22 VAL 23 HG22 VAL 23 19.896 25.152 33.205 171 HG23 VAL 23 HG23 VAL 23 20.489 26.793 33.154 172 H VAL 24 H VAL 24 22.586 23.603 36.514 173 HA VAL 24 HA VAL 24 19.908 22.338 36.494 174 HB VAL 24 HB VAL 24 21.981 21.102 35.921 175 HG11 VAL 24 HG11 VAL 24 22.850 21.312 38.170 176 HG12 VAL 24 HG12 VAL 24 21.576 20.212 38.824 177 HG13 VAL 24 HG13 VAL 24 22.822 19.604 37.712 178 HG21 VAL 24 HG21 VAL 24 19.917 20.373 35.300 179 HG22 VAL 24 HG22 VAL 24 20.727 19.047 36.070 180 HG23 VAL 24 HG23 VAL 24 19.608 19.908 37.007 181 H GLU 25 H GLU 25 22.250 23.584 38.983 182 HA GLU 25 HA GLU 25 20.545 22.817 41.204 183 HB2 GLU 25 HB2 GLU 25 22.838 24.662 41.066 184 HB3 GLU 25 HB3 GLU 25 21.957 24.272 42.521 185 HG2 GLU 25 HG2 GLU 25 23.101 21.908 40.921 186 HG3 GLU 25 HG3 GLU 25 24.011 22.811 42.193 187 H GLU 26 H GLU 26 20.722 25.626 39.166 188 HA GLU 26 HA GLU 26 19.020 27.116 40.953 189 HB2 GLU 26 HB2 GLU 26 19.828 27.500 38.048 190 HB3 GLU 26 HB3 GLU 26 18.847 28.667 38.907 191 HG2 GLU 26 HG2 GLU 26 21.818 27.959 39.668 192 HG3 GLU 26 HG3 GLU 26 21.239 29.259 38.710 193 H ALA 27 H ALA 27 18.572 24.648 38.440 194 HA ALA 27 HA ALA 27 15.764 25.323 37.921 195 HB1 ALA 27 HB1 ALA 27 15.753 23.140 36.849 196 HB2 ALA 27 HB2 ALA 27 17.122 24.190 36.183 197 HB3 ALA 27 HB3 ALA 27 17.414 22.844 37.180 198 H GLU 28 H GLU 28 17.459 23.669 40.407 199 HA GLU 28 HA GLU 28 14.963 22.602 41.706 200 HB2 GLU 28 HB2 GLU 28 17.449 21.502 41.717 201 HB3 GLU 28 HB3 GLU 28 17.667 22.737 43.089 202 HG2 GLU 28 HG2 GLU 28 15.689 21.620 44.196 203 HG3 GLU 28 HG3 GLU 28 15.533 20.489 42.882 204 H ASN 29 H ASN 29 17.264 25.089 42.210 205 HA ASN 29 HA ASN 29 16.293 26.139 44.698 206 HB2 ASN 29 HB2 ASN 29 18.549 26.554 43.845 207 HB3 ASN 29 HB3 ASN 29 17.980 27.436 42.523 208 HD21 ASN 29 HD22 ASN 29 19.409 29.203 43.328 209 HD22 ASN 29 HD21 ASN 29 18.894 30.157 44.750
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