NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
464542 | 2x8n | 16790 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT2 MET 1 1.075 -1.876 -0.828 2 H2 MET 1 HT1 MET 1 2.704 -2.080 -0.429 3 H3 MET 1 HT3 MET 1 2.009 -0.541 -0.414 4 HB3 MET 1 HB1 MET 1 2.601 -2.455 -4.119 5 HG3 MET 1 HG1 MET 1 3.657 -3.647 -1.544 6 HA MET 1 HA MET 1 3.346 -0.762 -2.346 7 HB2 MET 1 HB2 MET 1 1.614 -3.202 -2.870 8 HG2 MET 1 HG2 MET 1 4.626 -2.937 -2.838 9 HE2 MET 1 HE1 MET 1 3.969 -5.496 -5.790 10 HE1 MET 1 HE2 MET 1 4.779 -4.006 -5.325 11 HE3 MET 1 HE3 MET 1 3.019 -4.042 -5.461 12 HA GLU 2 HA GLU 2 -1.012 0.180 -4.286 13 HB2 GLU 2 HB2 GLU 2 -3.225 0.086 -3.236 14 HG2 GLU 2 HG2 GLU 2 -2.572 0.501 -0.846 15 H GLU 2 HN GLU 2 -0.113 -1.441 -2.218 16 HB3 GLU 2 HB1 GLU 2 -2.452 -1.488 -3.135 17 HG3 GLU 2 HG1 GLU 2 -3.746 -0.791 -1.085 18 HA VAL 3 HA VAL 3 -0.455 4.260 -2.596 19 HB VAL 3 HB VAL 3 -2.083 4.768 -5.143 20 H VAL 3 HN VAL 3 -1.479 2.329 -4.490 21 HA SER 4 HA SER 4 -4.360 4.883 -0.590 22 HB2 SER 4 HB2 SER 4 -3.656 2.011 0.197 23 HG SER 4 HG SER 4 -5.078 3.117 -1.956 24 H SER 4 HN SER 4 -1.642 3.817 -0.775 25 HB3 SER 4 HB1 SER 4 -5.192 2.807 0.532 26 HA ALA 5 HA ALA 5 -2.976 4.793 3.819 27 HB2 ALA 5 HB1 ALA 5 -2.351 6.901 2.700 28 HB1 ALA 5 HB2 ALA 5 -2.950 7.221 4.327 29 HB3 ALA 5 HB3 ALA 5 -3.982 7.534 2.927 30 H ALA 5 HN ALA 5 -5.058 4.860 1.822 31 HA ASN 6 HA ASN 6 -5.410 3.782 7.256 32 HB2 ASN 6 HB2 ASN 6 -5.237 6.179 7.541 33 HD21 ASN 6 HD21 ASN 6 -5.798 5.195 9.575 34 HD22 ASN 6 HD22 ASN 6 -7.388 5.372 10.218 35 H ASN 6 HN ASN 6 -4.157 3.855 5.390 36 HB3 ASN 6 HB1 ASN 6 -6.520 6.461 6.368 37 HA GLU 7 HA GLU 7 -9.890 3.681 5.429 38 HB2 GLU 7 HB2 GLU 7 -10.547 3.978 2.912 39 HG2 GLU 7 HG2 GLU 7 -9.248 5.656 1.664 40 H GLU 7 HN GLU 7 -7.519 4.938 4.595 41 HB3 GLU 7 HB1 GLU 7 -10.219 5.402 3.885 42 HG3 GLU 7 HG1 GLU 7 -7.978 5.600 2.882 43 HA LEU 8 HA LEU 8 -8.216 0.049 2.637 44 HB2 LEU 8 HB2 LEU 8 -5.782 -0.867 3.075 45 HG LEU 8 HG LEU 8 -5.315 2.074 3.722 46 HD12 LEU 8 HD11 LEU 8 -4.044 1.280 5.669 47 HD11 LEU 8 HD12 LEU 8 -4.550 -0.376 5.315 48 HD13 LEU 8 HD13 LEU 8 -5.750 0.845 5.745 49 HD23 LEU 8 HD21 LEU 8 -3.260 -0.032 2.993 50 HD22 LEU 8 HD22 LEU 8 -2.917 1.625 3.503 51 HD21 LEU 8 HD23 LEU 8 -3.763 1.329 1.989 52 H LEU 8 HN LEU 8 -7.163 2.362 3.774 53 HB3 LEU 8 HB1 LEU 8 -6.051 0.445 1.955 54 HA GLU 9 HA GLU 9 -7.664 -0.256 7.938 55 HB2 GLU 9 HB2 GLU 9 -9.789 -1.337 8.466 56 HG2 GLU 9 HG2 GLU 9 -10.355 -1.473 5.491 57 H GLU 9 HN GLU 9 -7.615 0.807 5.947 58 HB3 GLU 9 HB1 GLU 9 -10.068 0.041 7.411 59 HG3 GLU 9 HG1 GLU 9 -10.034 -2.860 6.527 60 HA ALA 10 HA ALA 10 -6.387 -4.296 5.641 61 HB2 ALA 10 HB1 ALA 10 -3.704 -2.889 5.847 62 HB1 ALA 10 HB2 ALA 10 -4.744 -2.931 4.421 63 HB3 ALA 10 HB3 ALA 10 -4.018 -4.422 5.022 64 H ALA 10 HN ALA 10 -5.887 -1.601 6.149 65 HA ALA 11 HA ALA 11 -3.376 -5.467 9.211 66 HB2 ALA 11 HB1 ALA 11 -1.990 -3.442 9.385 67 HB3 ALA 11 HB2 ALA 11 -2.309 -4.134 10.977 68 HB1 ALA 11 HB3 ALA 11 -3.190 -2.698 10.442 69 H ALA 11 HN ALA 11 -4.078 -2.996 8.055 70 HA SER 12 HA SER 12 -6.696 -4.339 12.547 71 HB2 SER 12 HB2 SER 12 -7.283 -2.010 11.914 72 HG SER 12 HG SER 12 -9.717 -3.419 12.133 73 H SER 12 HN SER 12 -5.933 -3.187 10.045 74 HB3 SER 12 HB1 SER 12 -8.330 -2.616 10.630 75 HA SER 13 HA SER 13 -10.006 -6.497 9.695 76 HB2 SER 13 HB2 SER 13 -8.356 -5.993 7.181 77 HG SER 13 HG SER 13 -9.687 -4.254 7.984 78 H SER 13 HN SER 13 -7.922 -4.661 9.232 79 HB3 SER 13 HB1 SER 13 -9.814 -6.985 7.223 80 HA ARG 14 HA ARG 14 -6.464 -9.682 8.666 81 HB2 ARG 14 HB2 ARG 14 -4.371 -7.837 9.888 82 HG2 ARG 14 HG2 ARG 14 -4.847 -7.418 7.467 83 HD2 ARG 14 HD2 ARG 14 -3.870 -9.053 5.823 84 HE ARG 14 HE ARG 14 -6.215 -10.272 7.119 85 HH11 ARG 14 HH11 ARG 14 -4.903 -8.414 4.427 86 HH12 ARG 14 HH12 ARG 14 -6.337 -8.590 3.467 87 HH21 ARG 14 HH21 ARG 14 -8.072 -10.478 5.846 88 HH22 ARG 14 HH22 ARG 14 -8.121 -9.759 4.272 89 H ARG 14 HN ARG 14 -6.547 -6.910 9.056 90 HB3 ARG 14 HB1 ARG 14 -4.067 -9.525 9.502 91 HG3 ARG 14 HG1 ARG 14 -3.194 -7.913 7.813 92 HD3 ARG 14 HD1 ARG 14 -3.836 -10.253 7.109 93 HA MET 15 HA MET 15 -5.521 -9.956 13.469 94 HB2 MET 15 HB2 MET 15 -6.452 -7.107 13.790 95 HG2 MET 15 HG2 MET 15 -4.462 -6.800 15.061 96 HE1 MET 15 HE1 MET 15 -1.731 -6.981 14.490 97 HE3 MET 15 HE2 MET 15 -1.131 -7.759 13.025 98 HE2 MET 15 HE3 MET 15 -1.765 -8.743 14.346 99 H MET 15 HN MET 15 -5.858 -7.858 11.697 100 HB3 MET 15 HB1 MET 15 -6.563 -8.173 15.186 101 HG3 MET 15 HG1 MET 15 -4.207 -8.538 15.215 102 HA GLU 16 HA GLU 16 -10.313 -9.926 14.283 103 HB2 GLU 16 HB2 GLU 16 -10.902 -8.570 11.617 104 HG2 GLU 16 HG2 GLU 16 -11.402 -7.492 14.410 105 H GLU 16 HN GLU 16 -8.608 -8.410 12.598 106 HB3 GLU 16 HB1 GLU 16 -12.127 -9.126 12.757 107 HG3 GLU 16 HG1 GLU 16 -10.047 -7.006 13.387 108 HA MET 17 HA MET 17 -10.926 -12.683 10.386 109 HB2 MET 17 HB2 MET 17 -8.605 -11.444 8.863 110 HG2 MET 17 HG2 MET 17 -11.548 -11.613 8.156 111 HE1 MET 17 HE1 MET 17 -11.448 -8.710 6.644 112 HE3 MET 17 HE2 MET 17 -12.382 -10.081 6.039 113 HE2 MET 17 HE3 MET 17 -11.261 -9.234 4.971 114 H MET 17 HN MET 17 -9.372 -10.345 10.884 115 HB3 MET 17 HB1 MET 17 -9.449 -12.883 8.305 116 HG3 MET 17 HG1 MET 17 -10.714 -10.166 8.735 117 HA LEU 18 HA LEU 18 -6.738 -14.823 11.392 118 HB2 LEU 18 HB2 LEU 18 -5.909 -12.521 13.185 119 HG LEU 18 HG LEU 18 -5.417 -12.268 10.697 120 HD12 LEU 18 HD11 LEU 18 -2.979 -12.389 12.488 121 HD11 LEU 18 HD12 LEU 18 -4.130 -11.054 12.392 122 HD13 LEU 18 HD13 LEU 18 -3.148 -11.467 10.990 123 HD22 LEU 18 HD21 LEU 18 -3.603 -13.587 9.716 124 HD21 LEU 18 HD22 LEU 18 -4.969 -14.609 10.155 125 HD23 LEU 18 HD23 LEU 18 -3.522 -14.589 11.169 126 H LEU 18 HN LEU 18 -7.782 -12.172 11.779 127 HB3 LEU 18 HB1 LEU 18 -5.038 -14.043 13.136 128 HA GLN 19 HA GLN 19 -8.571 -15.070 15.916 129 HB2 GLN 19 HB2 GLN 19 -10.812 -13.142 15.167 130 HG2 GLN 19 HG2 GLN 19 -8.629 -12.855 17.250 131 HE21 GLN 19 HE21 GLN 19 -8.783 -9.961 16.694 132 HE22 GLN 19 HE22 GLN 19 -10.131 -9.394 17.613 133 H GLN 19 HN GLN 19 -8.618 -13.136 13.858 134 HB3 GLN 19 HB1 GLN 19 -10.718 -14.032 16.686 135 HG3 GLN 19 HG1 GLN 19 -8.714 -11.970 15.732 136 HA ARG 20 HA ARG 20 -12.261 -17.100 13.734 137 HB2 ARG 20 HB2 ARG 20 -13.538 -16.587 11.634 138 HG2 ARG 20 HG2 ARG 20 -12.074 -13.934 11.584 139 HD2 ARG 20 HD2 ARG 20 -14.416 -14.002 10.680 140 HE ARG 20 HE ARG 20 -13.496 -16.299 9.282 141 HH11 ARG 20 HH11 ARG 20 -15.622 -13.537 8.869 142 HH12 ARG 20 HH12 ARG 20 -16.559 -14.304 7.627 143 HH21 ARG 20 HH21 ARG 20 -14.722 -17.270 7.653 144 HH22 ARG 20 HH22 ARG 20 -16.042 -16.405 6.934 145 H ARG 20 HN ARG 20 -10.850 -14.606 13.191 146 HB3 ARG 20 HB1 ARG 20 -13.589 -15.302 12.833 147 HG3 ARG 20 HG1 ARG 20 -11.656 -15.259 10.497 148 HD3 ARG 20 HD1 ARG 20 -13.188 -13.555 9.489 149 HA GLU 21 HA GLU 21 -9.680 -18.454 9.934 150 HB2 GLU 21 HB2 GLU 21 -8.436 -16.327 9.447 151 HG2 GLU 21 HG2 GLU 21 -6.431 -17.213 8.392 152 H GLU 21 HN GLU 21 -9.436 -16.313 11.886 153 HB3 GLU 21 HB1 GLU 21 -7.236 -16.765 10.655 154 HG3 GLU 21 HG1 GLU 21 -6.563 -18.704 9.326 155 HA TYR 22 HA TYR 22 -6.724 -20.651 12.805 156 HB2 TYR 22 HB2 TYR 22 -5.444 -18.244 14.171 157 HD1 TYR 22 HD1 TYR 22 -5.005 -16.863 12.188 158 HD2 TYR 22 HD2 TYR 22 -3.805 -20.967 12.248 159 HE1 TYR 22 HE1 TYR 22 -3.636 -16.504 10.175 160 HE2 TYR 22 HE2 TYR 22 -2.443 -20.596 10.242 161 HH TYR 22 HH TYR 22 -1.802 -17.455 8.976 162 H TYR 22 HN TYR 22 -7.380 -17.792 12.591 163 HB3 TYR 22 HB1 TYR 22 -4.864 -19.902 14.252 164 HA SER 23 HA SER 23 -9.145 -19.253 16.732 165 HB2 SER 23 HB2 SER 23 -6.556 -20.470 17.826 166 HG SER 23 HG SER 23 -8.817 -21.505 16.559 167 H SER 23 HN SER 23 -6.702 -18.406 15.537 168 HB3 SER 23 HB1 SER 23 -8.075 -20.428 18.723 169 HA THR 24 HA THR 24 -7.457 -16.165 19.566 170 HB THR 24 HB THR 24 -9.241 -15.502 21.254 171 HG1 THR 24 HG1 THR 24 -10.857 -16.810 21.568 172 HG22 THR 24 HG21 THR 24 -10.174 -15.652 18.368 173 HG21 THR 24 HG22 THR 24 -9.148 -14.390 19.058 174 HG23 THR 24 HG23 THR 24 -10.816 -14.571 19.607 175 H THR 24 HN THR 24 -9.302 -18.399 18.980 176 HA LEU 25 HA LEU 25 -6.048 -18.577 22.967 177 HB2 LEU 25 HB2 LEU 25 -4.375 -16.625 22.628 178 HG LEU 25 HG LEU 25 -4.591 -17.756 25.451 179 HD12 LEU 25 HD11 LEU 25 -3.047 -18.781 23.052 180 HD11 LEU 25 HD12 LEU 25 -4.495 -19.520 23.751 181 HD13 LEU 25 HD13 LEU 25 -3.007 -19.445 24.688 182 HD23 LEU 25 HD21 LEU 25 -2.176 -17.287 25.595 183 HD22 LEU 25 HD22 LEU 25 -3.117 -15.812 25.395 184 HD21 LEU 25 HD23 LEU 25 -2.234 -16.487 24.022 185 H LEU 25 HN LEU 25 -6.573 -16.028 21.684 186 HB3 LEU 25 HB1 LEU 25 -5.195 -15.838 23.973 187 HA ARG 26 HA ARG 26 -9.244 -17.676 25.923 188 HB2 ARG 26 HB2 ARG 26 -10.326 -19.744 26.666 189 HG2 ARG 26 HG2 ARG 26 -8.241 -21.330 25.129 190 HD2 ARG 26 HD2 ARG 26 -10.534 -22.322 25.210 191 HE ARG 26 HE ARG 26 -10.252 -21.898 28.093 192 HH11 ARG 26 HH11 ARG 26 -12.112 -23.412 25.542 193 HH12 ARG 26 HH12 ARG 26 -13.441 -23.790 26.587 194 HH21 ARG 26 HH21 ARG 26 -12.003 -22.399 29.433 195 HH22 ARG 26 HH22 ARG 26 -13.387 -23.211 28.775 196 H ARG 26 HN ARG 26 -7.240 -19.392 24.614 197 HB3 ARG 26 HB1 ARG 26 -10.082 -19.761 24.926 198 HG3 ARG 26 HG1 ARG 26 -8.262 -21.198 26.888 199 HD3 ARG 26 HD1 ARG 26 -9.315 -23.291 26.043 200 HA SER 27 HA SER 27 -6.241 -18.659 29.377 201 HB2 SER 27 HB2 SER 27 -6.551 -21.668 28.885 202 HG SER 27 HG SER 27 -8.345 -19.696 29.738 203 H SER 27 HN SER 27 -6.439 -19.716 26.664 204 HB3 SER 27 HB1 SER 27 -6.252 -20.893 30.443 205 HA VAL 28 HA VAL 28 -2.176 -20.577 28.781 206 HB VAL 28 HB VAL 28 -1.719 -17.938 30.273 207 H VAL 28 HN VAL 28 -4.236 -19.222 30.395 208 HA GLN 29 HA GLN 29 -0.899 -21.699 32.930 209 HB2 GLN 29 HB2 GLN 29 -0.918 -24.200 33.032 210 HG2 GLN 29 HG2 GLN 29 -1.588 -24.063 30.082 211 HE21 GLN 29 HE21 GLN 29 -0.475 -26.732 29.771 212 HE22 GLN 29 HE22 GLN 29 -1.669 -27.823 30.370 213 H GLN 29 HN GLN 29 -0.866 -21.850 29.993 214 HB3 GLN 29 HB1 GLN 29 -2.404 -23.541 32.344 215 HG3 GLN 29 HG1 GLN 29 -0.105 -24.717 30.757 216 HA TYR 30 HA TYR 30 3.442 -21.907 31.837 217 HB2 TYR 30 HB2 TYR 30 3.580 -19.726 32.953 218 HD1 TYR 30 HD1 TYR 30 5.141 -21.026 35.888 219 HD2 TYR 30 HD2 TYR 30 5.694 -20.673 31.671 220 HE1 TYR 30 HE1 TYR 30 7.548 -21.411 36.171 221 HE2 TYR 30 HE2 TYR 30 8.094 -21.051 31.956 222 HH TYR 30 HH TYR 30 9.468 -22.197 34.835 223 H TYR 30 HN TYR 30 1.130 -21.016 33.315 224 HB3 TYR 30 HB1 TYR 30 3.263 -20.460 34.524 225 HA ARG 31 HA ARG 31 3.556 -25.567 34.366 226 HB2 ARG 31 HB2 ARG 31 4.545 -26.431 31.614 227 HG2 ARG 31 HG2 ARG 31 1.785 -26.546 32.879 228 HD2 ARG 31 HD2 ARG 31 1.086 -27.934 30.971 229 HE ARG 31 HE ARG 31 2.159 -28.974 33.138 230 HH11 ARG 31 HH11 ARG 31 2.755 -29.920 29.797 231 HH12 ARG 31 HH12 ARG 31 3.160 -31.550 30.219 232 HH21 ARG 31 HH21 ARG 31 2.704 -31.094 33.656 233 HH22 ARG 31 HH22 ARG 31 3.141 -32.205 32.401 234 H ARG 31 HN ARG 31 3.940 -23.997 31.934 235 HB3 ARG 31 HB1 ARG 31 4.169 -27.505 32.964 236 HG3 ARG 31 HG1 ARG 31 2.246 -25.807 31.341 237 HD3 ARG 31 HD1 ARG 31 2.766 -28.043 30.428 238 HA SER 32 HA SER 32 7.807 -24.586 35.453 239 HB2 SER 32 HB2 SER 32 6.647 -23.970 37.523 240 HG SER 32 HG SER 32 8.953 -24.826 37.572 241 H SER 32 HN SER 32 5.053 -25.133 35.831 242 HB3 SER 32 HB1 SER 32 6.275 -25.657 37.875 243 HA GLU 33 HA GLU 33 7.890 -29.528 36.067 244 HB2 GLU 33 HB2 GLU 33 5.497 -30.013 35.957 245 HG2 GLU 33 HG2 GLU 33 5.301 -31.913 34.431 246 H GLU 33 HN GLU 33 5.979 -27.554 35.670 247 HB3 GLU 33 HB1 GLU 33 5.420 -29.488 34.282 248 HG3 GLU 33 HG1 GLU 33 6.771 -31.423 33.594 249 HA GLU 34 HA GLU 34 8.959 -29.456 31.494 250 HB2 GLU 34 HB2 GLU 34 6.589 -27.779 30.591 251 HG2 GLU 34 HG2 GLU 34 5.898 -29.969 31.472 252 H GLU 34 HN GLU 34 6.821 -28.108 32.980 253 HB3 GLU 34 HB1 GLU 34 7.725 -28.562 29.493 254 HG3 GLU 34 HG1 GLU 34 5.625 -29.834 29.732 255 HA3 GLY 35 HA2 GLY 35 9.545 -24.453 33.018 256 H GLY 35 HN GLY 35 8.446 -26.462 33.010 257 HA2 GLY 35 HA1 GLY 35 10.826 -25.229 32.093 258 HA VAL 36 HA VAL 36 8.137 -23.102 28.912 259 HB VAL 36 HB VAL 36 6.752 -24.364 27.343 260 H VAL 36 HN VAL 36 7.446 -24.925 31.139 261 HA ILE 37 HA ILE 37 4.059 -21.483 29.821 262 HB ILE 37 HB ILE 37 4.979 -19.828 27.422 263 HD13 ILE 37 HD11 ILE 37 6.558 -17.842 27.901 264 HD12 ILE 37 HD12 ILE 37 7.009 -17.504 29.572 265 HD11 ILE 37 HD13 ILE 37 5.356 -17.209 29.032 266 H ILE 37 HN ILE 37 6.431 -21.861 28.143 267 HA VAL 38 HA VAL 38 2.018 -23.655 26.462 268 HB VAL 38 HB VAL 38 0.733 -24.622 29.053 269 H VAL 38 HN VAL 38 2.380 -22.762 29.242 270 HA PHE 39 HA PHE 39 -1.218 -20.591 26.261 271 HB2 PHE 39 HB2 PHE 39 -0.079 -20.986 23.454 272 HD1 PHE 39 HD1 PHE 39 -0.377 -17.828 25.339 273 HD2 PHE 39 HD2 PHE 39 2.293 -20.913 24.063 274 HE1 PHE 39 HE1 PHE 39 1.542 -16.416 25.931 275 HE2 PHE 39 HE2 PHE 39 4.208 -19.495 24.655 276 HZ PHE 39 HZ PHE 39 3.833 -17.242 25.586 277 H PHE 39 HN PHE 39 0.847 -22.374 25.271 278 HB3 PHE 39 HB1 PHE 39 -1.171 -19.699 23.937 279 HA ILE 40 HA ILE 40 -4.067 -23.862 24.973 280 HB ILE 40 HB ILE 40 -5.416 -22.472 27.325 281 HD13 ILE 40 HD11 ILE 40 -3.976 -25.012 29.734 282 HD12 ILE 40 HD12 ILE 40 -5.579 -25.150 29.016 283 HD11 ILE 40 HD13 ILE 40 -5.024 -23.597 29.649 284 H ILE 40 HN ILE 40 -3.105 -21.709 26.665 285 HA LEU 41 HA LEU 41 -6.324 -20.938 22.487 286 HB2 LEU 41 HB2 LEU 41 -5.990 -23.510 20.900 287 HG LEU 41 HG LEU 41 -3.873 -22.336 21.018 288 HD11 LEU 41 HD11 LEU 41 -4.468 -23.223 18.795 289 HD13 LEU 41 HD12 LEU 41 -3.445 -21.796 18.674 290 HD12 LEU 41 HD13 LEU 41 -5.178 -21.668 18.355 291 HD22 LEU 41 HD21 LEU 41 -4.660 -20.181 21.809 292 HD21 LEU 41 HD22 LEU 41 -5.394 -19.831 20.242 293 HD23 LEU 41 HD23 LEU 41 -3.643 -19.976 20.390 294 H LEU 41 HN LEU 41 -5.168 -23.516 23.155 295 HB3 LEU 41 HB1 LEU 41 -6.806 -22.096 20.255 296 HA ALA 42 HA ALA 42 -10.565 -21.766 22.905 297 HB3 ALA 42 HB1 ALA 42 -11.990 -20.722 21.194 298 HB1 ALA 42 HB2 ALA 42 -10.607 -20.625 20.096 299 HB2 ALA 42 HB3 ALA 42 -10.610 -19.697 21.597 300 H ALA 42 HN ALA 42 -8.409 -20.918 21.272 301 HA ASN 43 HA ASN 43 -11.001 -25.497 20.231 302 HB2 ASN 43 HB2 ASN 43 -9.894 -26.321 18.267 303 HD21 ASN 43 HD21 ASN 43 -7.960 -23.381 18.295 304 HD22 ASN 43 HD22 ASN 43 -6.444 -24.169 18.112 305 H ASN 43 HN ASN 43 -8.858 -23.467 20.488 306 HB3 ASN 43 HB1 ASN 43 -9.949 -24.576 18.103 307 HA ASP 44 HA ASP 44 -7.898 -25.905 24.128 308 HB2 ASP 44 HB2 ASP 44 -8.839 -28.504 22.856 309 H ASP 44 HN ASP 44 -9.006 -24.880 22.479 310 HB3 ASP 44 HB1 ASP 44 -8.056 -28.396 24.430 311 HA ARG 45 HA ARG 45 -4.519 -27.443 21.163 312 HB2 ARG 45 HB2 ARG 45 -5.114 -26.514 19.080 313 HG2 ARG 45 HG2 ARG 45 -2.700 -24.787 19.649 314 HD2 ARG 45 HD2 ARG 45 -3.879 -24.877 17.337 315 HE ARG 45 HE ARG 45 -2.407 -27.413 17.008 316 HH11 ARG 45 HH11 ARG 45 -5.431 -25.658 16.666 317 HH12 ARG 45 HH12 ARG 45 -6.240 -26.975 15.895 318 HH21 ARG 45 HH21 ARG 45 -3.478 -29.116 16.015 319 HH22 ARG 45 HH22 ARG 45 -5.133 -28.935 15.524 320 H ARG 45 HN ARG 45 -6.651 -25.528 21.298 321 HB3 ARG 45 HB1 ARG 45 -5.069 -24.868 19.689 322 HG3 ARG 45 HG1 ARG 45 -2.550 -26.538 19.499 323 HD3 ARG 45 HD1 ARG 45 -2.134 -25.091 17.385 324 HA GLU 46 HA GLU 46 -1.997 -25.278 24.072 325 HB2 GLU 46 HB2 GLU 46 -1.088 -28.180 23.923 326 HG2 GLU 46 HG2 GLU 46 -2.936 -26.838 25.927 327 H GLU 46 HN GLU 46 -2.779 -27.497 22.355 328 HB3 GLU 46 HB1 GLU 46 -0.593 -27.027 25.159 329 HG3 GLU 46 HG1 GLU 46 -3.440 -27.986 24.686 330 HA LEU 47 HA LEU 47 1.399 -24.621 21.175 331 HB2 LEU 47 HB2 LEU 47 0.219 -21.965 22.007 332 HG LEU 47 HG LEU 47 -0.784 -23.003 19.991 333 HD11 LEU 47 HD11 LEU 47 -0.650 -20.557 20.075 334 HD13 LEU 47 HD12 LEU 47 -0.480 -21.137 18.420 335 HD12 LEU 47 HD13 LEU 47 0.944 -20.601 19.317 336 HD22 LEU 47 HD21 LEU 47 0.574 -23.390 17.969 337 HD21 LEU 47 HD22 LEU 47 1.123 -24.396 19.312 338 HD23 LEU 47 HD23 LEU 47 2.038 -22.953 18.861 339 H LEU 47 HN LEU 47 -0.860 -23.833 22.804 340 HB3 LEU 47 HB1 LEU 47 1.808 -22.024 21.259 341 HA LYS 48 HA LYS 48 3.883 -24.530 24.820 342 HB2 LYS 48 HB2 LYS 48 3.434 -26.892 24.303 343 HG2 LYS 48 HG2 LYS 48 6.411 -26.553 24.806 344 HD2 LYS 48 HD2 LYS 48 4.486 -28.788 25.549 345 HE2 LYS 48 HE2 LYS 48 7.445 -28.530 26.183 346 HZ1 LYS 48 HZ1 LYS 48 6.741 -30.802 25.784 347 HZ3 LYS 48 HZ2 LYS 48 5.495 -30.637 26.912 348 HZ2 LYS 48 HZ3 LYS 48 7.108 -30.557 27.415 349 H LYS 48 HN LYS 48 3.298 -25.117 21.982 350 HB3 LYS 48 HB1 LYS 48 4.694 -26.878 23.072 351 HG3 LYS 48 HG1 LYS 48 5.156 -26.433 26.043 352 HD3 LYS 48 HD1 LYS 48 5.805 -28.898 24.378 353 HE3 LYS 48 HE1 LYS 48 6.136 -28.361 27.354 354 HA PHE 49 HA PHE 49 7.751 -22.883 23.376 355 HB2 PHE 49 HB2 PHE 49 5.900 -20.469 23.698 356 HD1 PHE 49 HD1 PHE 49 8.131 -21.041 20.845 357 HD2 PHE 49 HD2 PHE 49 4.123 -21.458 22.286 358 HE1 PHE 49 HE1 PHE 49 7.334 -21.399 18.546 359 HE2 PHE 49 HE2 PHE 49 3.339 -21.820 19.987 360 HZ PHE 49 HZ PHE 49 4.941 -21.792 18.115 361 H PHE 49 HN PHE 49 5.180 -22.816 24.843 362 HB3 PHE 49 HB1 PHE 49 7.558 -20.369 23.117 363 HA ARG 50 HA ARG 50 9.152 -22.062 27.468 364 HB2 ARG 50 HB2 ARG 50 11.584 -21.797 25.674 365 HG2 ARG 50 HG2 ARG 50 10.709 -23.963 27.604 366 HD2 ARG 50 HD2 ARG 50 12.690 -25.211 26.911 367 HE ARG 50 HE ARG 50 13.139 -22.657 28.264 368 HH11 ARG 50 HH11 ARG 50 14.377 -25.876 27.582 369 HH12 ARG 50 HH12 ARG 50 15.589 -25.793 28.814 370 HH21 ARG 50 HH21 ARG 50 14.725 -22.561 29.855 371 HH22 ARG 50 HH22 ARG 50 15.785 -23.911 30.113 372 H ARG 50 HN ARG 50 9.503 -22.046 24.586 373 HB3 ARG 50 HB1 ARG 50 11.703 -21.664 27.429 374 HG3 ARG 50 HG1 ARG 50 10.782 -24.079 25.843 375 HD3 ARG 50 HD1 ARG 50 13.225 -23.860 25.912 No H/Q in entry = 375 In of MODEL 1 1 HA PRO 51 HA PRO 51 9.291 -17.592 28.312 2 HB2 PRO 51 HB2 PRO 51 11.376 -18.272 30.375 3 HG2 PRO 51 HG2 PRO 51 10.062 -19.846 31.480 4 HD2 PRO 51 HD2 PRO 51 10.696 -21.052 29.578 5 HB3 PRO 51 HB1 PRO 51 9.876 -17.347 30.554 6 HG3 PRO 51 HG1 PRO 51 8.559 -19.269 30.729 7 HD3 PRO 51 HD1 PRO 51 8.928 -21.139 29.399 8 HA ASP 52 HA ASP 52 14.066 -17.285 27.593 9 HB2 ASP 52 HB2 ASP 52 14.617 -20.222 27.035 10 H ASP 52 HN ASP 52 12.281 -19.439 28.168 11 HB3 ASP 52 HB1 ASP 52 15.763 -18.968 27.501 12 HA ASP 53 HA ASP 53 13.206 -18.739 23.144 13 HB2 ASP 53 HB2 ASP 53 11.789 -20.741 23.640 14 H ASP 53 HN ASP 53 11.853 -19.051 25.705 15 HB3 ASP 53 HB1 ASP 53 10.388 -19.705 23.852 16 HA LEU 54 HA LEU 54 9.666 -15.617 22.807 17 HB2 LEU 54 HB2 LEU 54 8.593 -15.919 25.638 18 HG LEU 54 HG LEU 54 8.439 -18.075 24.371 19 HD11 LEU 54 HD11 LEU 54 6.727 -17.517 26.027 20 HD13 LEU 54 HD12 LEU 54 6.053 -18.452 24.695 21 HD12 LEU 54 HD13 LEU 54 5.762 -16.712 24.783 22 HD22 LEU 54 HD21 LEU 54 7.030 -18.241 22.372 23 HD21 LEU 54 HD22 LEU 54 8.403 -17.172 22.088 24 HD23 LEU 54 HD23 LEU 54 6.797 -16.490 22.367 25 H LEU 54 HN LEU 54 10.630 -17.248 25.044 26 HB3 LEU 54 HB1 LEU 54 7.780 -15.099 24.306 27 HA GLN 55 HA GLN 55 11.506 -11.820 24.018 28 HB2 GLN 55 HB2 GLN 55 10.602 -11.062 21.950 29 HG2 GLN 55 HG2 GLN 55 9.261 -9.240 23.974 30 HE21 GLN 55 HE21 GLN 55 11.471 -8.202 21.558 31 HE22 GLN 55 HE22 GLN 55 10.328 -7.398 20.548 32 H GLN 55 HN GLN 55 9.538 -13.421 22.804 33 HB3 GLN 55 HB1 GLN 55 8.944 -11.186 22.528 34 HG3 GLN 55 HG1 GLN 55 10.957 -9.129 23.502 35 HA ALA 56 HA ALA 56 7.684 -10.190 26.628 36 HB1 ALA 56 HB1 ALA 56 6.307 -12.917 26.654 37 HB2 ALA 56 HB2 ALA 56 5.809 -11.521 25.704 38 HB3 ALA 56 HB3 ALA 56 5.716 -11.457 27.467 39 H ALA 56 HN ALA 56 8.068 -12.263 24.799 40 HA THR 57 HA THR 57 9.335 -12.966 30.004 41 HB THR 57 HB THR 57 9.037 -15.509 29.956 42 HG1 THR 57 HG1 THR 57 9.564 -15.545 27.585 43 HG21 THR 57 HG21 THR 57 7.177 -13.946 30.466 44 HG23 THR 57 HG22 THR 57 6.625 -15.403 29.647 45 HG22 THR 57 HG23 THR 57 6.775 -13.892 28.753 46 H THR 57 HN THR 57 9.383 -13.182 27.053 47 HA TYR 58 HA TYR 58 13.323 -14.693 28.021 48 HB2 TYR 58 HB2 TYR 58 13.068 -13.098 26.033 49 HD1 TYR 58 HD1 TYR 58 14.381 -15.443 25.917 50 HD2 TYR 58 HD2 TYR 58 16.226 -11.660 26.669 51 HE1 TYR 58 HE1 TYR 58 16.524 -16.327 25.110 52 HE2 TYR 58 HE2 TYR 58 18.370 -12.545 25.857 53 HH TYR 58 HH TYR 58 18.655 -15.433 24.138 54 H TYR 58 HN TYR 58 11.435 -12.558 27.738 55 HB3 TYR 58 HB1 TYR 58 13.876 -11.874 27.006 56 HA3 GLY 59 HA2 GLY 59 15.153 -14.724 32.010 57 H GLY 59 HN GLY 59 13.627 -14.958 30.222 58 HA2 GLY 59 HA1 GLY 59 15.396 -13.036 31.600 59 HA ALA 60 HA ALA 60 11.553 -12.501 34.069 60 HB3 ALA 60 HB1 ALA 60 9.190 -12.809 33.480 61 HB1 ALA 60 HB2 ALA 60 9.626 -13.991 32.240 62 HB2 ALA 60 HB3 ALA 60 10.122 -12.306 32.070 63 H ALA 60 HN ALA 60 12.118 -14.213 31.748 64 HA THR 61 HA THR 61 11.242 -15.846 36.854 65 HB THR 61 HB THR 61 10.087 -15.068 39.026 66 HG1 THR 61 HG1 THR 61 10.110 -12.489 38.620 67 HG23 THR 61 HG21 THR 61 11.853 -13.517 39.669 68 HG22 THR 61 HG22 THR 61 12.310 -13.282 37.979 69 HG21 THR 61 HG23 THR 61 12.532 -14.859 38.743 70 H THR 61 HN THR 61 10.437 -13.229 35.942 No H/Q in entry = 70 In of MODEL 1 1 HA PRO 62 HA PRO 62 7.597 -18.343 36.125 2 HB2 PRO 62 HB2 PRO 62 7.444 -19.674 38.624 3 HG2 PRO 62 HG2 PRO 62 9.189 -18.493 39.643 4 HD2 PRO 62 HD2 PRO 62 10.817 -17.325 38.392 5 HB3 PRO 62 HB1 PRO 62 8.444 -20.167 37.251 6 HG3 PRO 62 HG1 PRO 62 10.094 -19.821 38.882 7 HD3 PRO 62 HD1 PRO 62 10.737 -18.472 37.032 8 HA GLU 63 HA GLU 63 4.898 -16.735 39.841 9 HB2 GLU 63 HB2 GLU 63 5.335 -14.696 41.296 10 HG2 GLU 63 HG2 GLU 63 7.524 -14.134 39.703 11 H GLU 63 HN GLU 63 7.645 -16.558 39.199 12 HB3 GLU 63 HB1 GLU 63 6.350 -16.092 41.608 13 HG3 GLU 63 HG1 GLU 63 7.254 -13.505 41.331 14 HA GLN 64 HA GLN 64 4.549 -12.545 37.431 15 HB2 GLN 64 HB2 GLN 64 7.071 -13.111 35.838 16 HG2 GLN 64 HG2 GLN 64 6.483 -10.822 37.734 17 HE21 GLN 64 HE21 GLN 64 8.760 -12.354 35.486 18 HE22 GLN 64 HE22 GLN 64 9.844 -11.010 35.403 19 H GLN 64 HN GLN 64 6.694 -14.340 37.932 20 HB3 GLN 64 HB1 GLN 64 5.986 -11.757 35.537 21 HG3 GLN 64 HG1 GLN 64 7.496 -12.209 38.125 22 HA LEU 65 HA LEU 65 3.694 -15.412 33.712 23 HB2 LEU 65 HB2 LEU 65 5.430 -17.777 34.598 24 HG LEU 65 HG LEU 65 7.042 -15.990 34.441 25 HD12 LEU 65 HD11 LEU 65 7.052 -17.552 31.847 26 HD11 LEU 65 HD12 LEU 65 7.711 -18.078 33.400 27 HD13 LEU 65 HD13 LEU 65 8.429 -16.704 32.563 28 HD21 LEU 65 HD21 LEU 65 5.718 -15.189 31.830 29 HD23 LEU 65 HD22 LEU 65 7.235 -14.527 32.454 30 HD22 LEU 65 HD23 LEU 65 5.740 -14.278 33.345 31 H LEU 65 HN LEU 65 5.414 -15.615 36.127 32 HB3 LEU 65 HB1 LEU 65 4.795 -17.432 32.991 33 HA ARG 66 HA ARG 66 1.037 -18.014 36.441 34 HB2 ARG 66 HB2 ARG 66 1.676 -16.461 38.993 35 HG2 ARG 66 HG2 ARG 66 2.572 -19.240 38.155 36 HD2 ARG 66 HD2 ARG 66 1.755 -19.460 40.416 37 HE ARG 66 HE ARG 66 3.131 -16.914 41.006 38 HH11 ARG 66 HH11 ARG 66 0.965 -19.466 42.077 39 HH12 ARG 66 HH12 ARG 66 0.465 -18.605 43.496 40 HH21 ARG 66 HH21 ARG 66 2.451 -15.794 42.865 41 HH22 ARG 66 HH22 ARG 66 1.303 -16.533 43.936 42 H ARG 66 HN ARG 66 3.078 -15.923 36.873 43 HB3 ARG 66 HB1 ARG 66 0.564 -17.826 38.848 44 HG3 ARG 66 HG1 ARG 66 3.589 -17.863 38.598 45 HD3 ARG 66 HD1 ARG 66 3.517 -19.405 40.461 46 HA GLU 67 HA GLU 67 -1.383 -14.024 36.939 47 HB2 GLU 67 HB2 GLU 67 -0.570 -11.628 37.557 48 HG2 GLU 67 HG2 GLU 67 1.887 -13.179 38.426 49 H GLU 67 HN GLU 67 1.458 -14.615 37.289 50 HB3 GLU 67 HB1 GLU 67 -0.562 -12.868 38.805 51 HG3 GLU 67 HG1 GLU 67 1.847 -11.857 37.257 52 HA ILE 68 HA ILE 68 -0.478 -12.728 32.776 53 HB ILE 68 HB ILE 68 -1.370 -15.649 32.898 54 HD13 ILE 68 HD11 ILE 68 0.601 -17.320 32.695 55 HD12 ILE 68 HD12 ILE 68 2.184 -16.699 32.231 56 HD11 ILE 68 HD13 ILE 68 0.873 -16.712 31.055 57 H ILE 68 HN ILE 68 -1.873 -14.217 34.923 58 HA GLU 69 HA GLU 69 -4.782 -12.396 31.355 59 HB2 GLU 69 HB2 GLU 69 -4.263 -10.150 32.300 60 HG2 GLU 69 HG2 GLU 69 -5.472 -9.759 29.548 61 H GLU 69 HN GLU 69 -1.863 -11.835 31.204 62 HB3 GLU 69 HB1 GLU 69 -3.397 -9.711 30.831 63 HG3 GLU 69 HG1 GLU 69 -6.367 -10.348 30.950 64 HA ILE 70 HA ILE 70 -4.286 -13.019 26.957 65 HB ILE 70 HB ILE 70 -7.236 -12.226 27.135 66 HD12 ILE 70 HD11 ILE 70 -4.714 -15.021 27.574 67 HD11 ILE 70 HD12 ILE 70 -5.576 -15.521 26.115 68 HD13 ILE 70 HD13 ILE 70 -5.946 -16.278 27.663 69 H ILE 70 HN ILE 70 -5.871 -12.121 29.210 70 HA SER 71 HA SER 71 -3.066 -9.317 25.048 71 HB2 SER 71 HB2 SER 71 -3.101 -9.363 22.551 72 HG SER 71 HG SER 71 -4.698 -11.690 22.917 73 H SER 71 HN SER 71 -4.152 -11.868 24.896 74 HB3 SER 71 HB1 SER 71 -2.548 -10.889 23.239 No H/Q in entry = 74 In of MODEL 1 1 HA PRO 72 HA PRO 72 -6.524 -6.394 24.695 2 HB2 PRO 72 HB2 PRO 72 -5.376 -4.384 23.202 3 HG2 PRO 72 HG2 PRO 72 -3.500 -5.630 22.449 4 HD2 PRO 72 HD2 PRO 72 -2.662 -7.457 23.669 5 HB3 PRO 72 HB1 PRO 72 -4.980 -4.668 24.905 6 HG3 PRO 72 HG1 PRO 72 -2.850 -4.800 23.882 7 HD3 PRO 72 HD1 PRO 72 -3.047 -6.718 25.241 8 HA SER 73 HA SER 73 -7.122 -7.055 20.029 9 HB2 SER 73 HB2 SER 73 -4.690 -8.845 19.616 10 HG SER 73 HG SER 73 -3.924 -6.818 20.044 11 H SER 73 HN SER 73 -4.997 -7.794 21.905 12 HB3 SER 73 HB1 SER 73 -5.737 -8.187 18.354 13 HA3 GLY 74 HA2 GLY 74 -7.751 -11.336 22.936 14 H GLY 74 HN GLY 74 -6.537 -9.489 22.319 15 HA2 GLY 74 HA1 GLY 74 -8.828 -11.072 21.584 16 HA LEU 75 HA LEU 75 -6.070 -13.756 19.116 17 HB2 LEU 75 HB2 LEU 75 -3.978 -11.563 18.915 18 HG LEU 75 HG LEU 75 -6.088 -11.282 17.533 19 HD13 LEU 75 HD11 LEU 75 -4.923 -10.732 15.444 20 HD12 LEU 75 HD12 LEU 75 -3.514 -11.659 15.969 21 HD11 LEU 75 HD13 LEU 75 -3.997 -10.206 16.850 22 HD21 LEU 75 HD21 LEU 75 -6.541 -13.657 17.077 23 HD23 LEU 75 HD22 LEU 75 -5.069 -13.769 16.107 24 HD22 LEU 75 HD23 LEU 75 -6.404 -12.742 15.576 25 H LEU 75 HN LEU 75 -5.828 -11.131 20.251 26 HB3 LEU 75 HB1 LEU 75 -3.738 -13.123 18.140 27 HA3 GLY 76 HA2 GLY 76 -2.405 -14.934 21.692 28 H GLY 76 HN GLY 76 -3.313 -12.253 20.835 29 HA2 GLY 76 HA1 GLY 76 -1.401 -13.498 21.521 30 HA VAL 77 HA VAL 77 -2.491 -13.029 25.777 31 HB VAL 77 HB VAL 77 -0.668 -15.009 25.548 32 H VAL 77 HN VAL 77 -0.644 -13.063 23.471 33 HA TYR 78 HA TYR 78 0.277 -9.642 26.841 34 HB2 TYR 78 HB2 TYR 78 -1.873 -8.512 26.179 35 HD1 TYR 78 HD1 TYR 78 -2.030 -7.122 29.498 36 HD2 TYR 78 HD2 TYR 78 0.303 -7.115 25.916 37 HE1 TYR 78 HE1 TYR 78 -0.959 -5.034 30.203 38 HE2 TYR 78 HE2 TYR 78 1.374 -5.022 26.622 39 HH TYR 78 HH TYR 78 0.945 -3.131 28.105 40 H TYR 78 HN TYR 78 -1.986 -11.440 27.350 41 HB3 TYR 78 HB1 TYR 78 -2.482 -8.761 27.812 42 HA PHE 79 HA PHE 79 0.774 -10.971 31.092 43 HB2 PHE 79 HB2 PHE 79 3.608 -10.561 30.040 44 HD1 PHE 79 HD1 PHE 79 0.852 -12.919 30.257 45 HD2 PHE 79 HD2 PHE 79 4.868 -12.535 29.526 46 HE1 PHE 79 HE1 PHE 79 0.883 -15.138 29.225 47 HE2 PHE 79 HE2 PHE 79 4.899 -14.756 28.495 48 HZ PHE 79 HZ PHE 79 2.911 -16.072 28.351 49 H PHE 79 HN PHE 79 1.614 -10.442 28.383 50 HB3 PHE 79 HB1 PHE 79 3.160 -11.254 31.597 51 HA GLU 80 HA GLU 80 0.533 -6.556 31.398 52 HB2 GLU 80 HB2 GLU 80 -1.748 -7.267 32.001 53 HG2 GLU 80 HG2 GLU 80 -0.761 -5.386 34.156 54 H GLU 80 HN GLU 80 -0.099 -9.266 31.984 55 HB3 GLU 80 HB1 GLU 80 -1.208 -7.704 33.618 56 HG3 GLU 80 HG1 GLU 80 -1.089 -4.893 32.494 57 HA THR 81 HA THR 81 2.716 -7.078 35.801 58 HB THR 81 HB THR 81 3.683 -9.829 34.903 59 HG1 THR 81 HG1 THR 81 2.096 -10.134 36.929 60 HG23 THR 81 HG21 THR 81 5.164 -8.714 36.538 61 HG22 THR 81 HG22 THR 81 4.348 -10.102 37.259 62 HG21 THR 81 HG23 THR 81 3.792 -8.467 37.624 63 H THR 81 HN THR 81 1.444 -8.741 33.964 64 HA LEU 82 HA LEU 82 6.553 -7.342 32.993 65 HB2 LEU 82 HB2 LEU 82 5.387 -8.913 30.656 66 HG LEU 82 HG LEU 82 4.997 -10.394 32.553 67 HD13 LEU 82 HD11 LEU 82 6.366 -12.305 31.944 68 HD12 LEU 82 HD12 LEU 82 7.510 -11.256 31.099 69 HD11 LEU 82 HD13 LEU 82 5.857 -11.421 30.508 70 HD22 LEU 82 HD21 LEU 82 6.451 -9.392 34.207 71 HD21 LEU 82 HD22 LEU 82 7.886 -9.936 33.330 72 HD23 LEU 82 HD23 LEU 82 6.781 -11.112 34.048 73 H LEU 82 HN LEU 82 3.839 -8.428 32.753 74 HB3 LEU 82 HB1 LEU 82 7.082 -8.721 31.092 75 HA GLU 83 HA GLU 83 2.643 -4.995 30.295 76 HB2 GLU 83 HB2 GLU 83 5.367 -3.631 30.487 77 HG2 GLU 83 HG2 GLU 83 2.762 -3.010 31.914 78 H GLU 83 HN GLU 83 3.536 -6.409 31.800 79 HB3 GLU 83 HB1 GLU 83 3.939 -2.909 29.741 80 HG3 GLU 83 HG1 GLU 83 4.196 -3.713 32.660 81 HA GLU 84 HA GLU 84 4.915 -6.715 26.672 82 HB2 GLU 84 HB2 GLU 84 5.547 -9.023 28.563 83 HG2 GLU 84 HG2 GLU 84 6.956 -6.999 28.876 84 H GLU 84 HN GLU 84 3.899 -7.373 29.376 85 HB3 GLU 84 HB1 GLU 84 5.983 -9.047 26.859 86 HG3 GLU 84 HG1 GLU 84 7.864 -8.412 28.326 87 HA ASP 85 HA ASP 85 1.837 -9.722 25.348 88 HB2 ASP 85 HB2 ASP 85 1.423 -7.479 24.328 89 H ASP 85 HN ASP 85 4.367 -8.208 24.998 90 HB3 ASP 85 HB1 ASP 85 2.597 -7.820 23.069 91 HA VAL 86 HA VAL 86 4.081 -12.462 22.600 92 HB VAL 86 HB VAL 86 2.380 -14.468 24.191 93 H VAL 86 HN VAL 86 2.000 -11.784 24.597 94 HA SER 87 HA SER 87 0.496 -12.023 19.948 95 HB2 SER 87 HB2 SER 87 2.942 -12.015 18.127 96 HG SER 87 HG SER 87 2.125 -10.205 19.880 97 H SER 87 HN SER 87 3.230 -11.955 20.662 98 HB3 SER 87 HB1 SER 87 1.299 -11.556 17.667 99 HA LEU 88 HA LEU 88 0.074 -16.404 19.569 100 HB2 LEU 88 HB2 LEU 88 -2.269 -15.460 19.945 101 HG LEU 88 HG LEU 88 -1.998 -17.919 18.193 102 HD12 LEU 88 HD11 LEU 88 -2.394 -17.612 21.187 103 HD11 LEU 88 HD12 LEU 88 -0.884 -18.048 20.378 104 HD13 LEU 88 HD13 LEU 88 -2.266 -19.134 20.300 105 HD22 LEU 88 HD21 LEU 88 -4.292 -18.509 18.815 106 HD21 LEU 88 HD22 LEU 88 -4.268 -16.990 17.925 107 HD23 LEU 88 HD23 LEU 88 -4.478 -16.981 19.678 108 H LEU 88 HN LEU 88 -0.746 -13.734 19.506 109 HB3 LEU 88 HB1 LEU 88 -2.448 -15.399 18.204 110 HA ILE 89 HA ILE 89 -0.570 -16.256 14.772 111 HB ILE 89 HB ILE 89 -0.072 -13.256 14.504 112 HD13 ILE 89 HD11 ILE 89 -4.089 -14.711 14.805 113 HD12 ILE 89 HD12 ILE 89 -2.784 -15.837 15.171 114 HD11 ILE 89 HD13 ILE 89 -3.097 -15.356 13.499 115 H ILE 89 HN ILE 89 -0.759 -14.350 16.839 116 HA3 GLY 90 HA2 GLY 90 4.013 -14.453 14.714 117 H GLY 90 HN GLY 90 1.718 -13.986 16.194 118 HA2 GLY 90 HA1 GLY 90 3.978 -14.031 16.426 119 HA LEU 91 HA LEU 91 4.878 -18.112 17.856 120 HB2 LEU 91 HB2 LEU 91 1.909 -18.414 18.447 121 HG LEU 91 HG LEU 91 2.956 -16.649 19.834 122 HD11 LEU 91 HD11 LEU 91 2.333 -19.180 21.392 123 HD13 LEU 91 HD12 LEU 91 1.168 -17.979 20.823 124 HD12 LEU 91 HD13 LEU 91 2.357 -17.539 22.046 125 HD21 LEU 91 HD21 LEU 91 4.911 -18.825 20.658 126 HD23 LEU 91 HD22 LEU 91 4.758 -17.249 21.437 127 HD22 LEU 91 HD23 LEU 91 5.278 -17.347 19.760 128 H LEU 91 HN LEU 91 2.777 -16.268 17.548 129 HB3 LEU 91 HB1 LEU 91 3.125 -19.567 18.978 130 HA LEU 92 HA LEU 92 2.298 -20.846 14.802 131 HB2 LEU 92 HB2 LEU 92 0.789 -18.457 13.669 132 HG LEU 92 HG LEU 92 0.029 -19.139 16.008 133 HD11 LEU 92 HD11 LEU 92 -1.483 -17.972 14.503 134 HD13 LEU 92 HD12 LEU 92 -2.358 -19.149 15.478 135 HD12 LEU 92 HD13 LEU 92 -1.996 -19.503 13.786 136 HD22 LEU 92 HD21 LEU 92 -1.224 -21.239 16.275 137 HD21 LEU 92 HD22 LEU 92 0.461 -21.551 15.866 138 HD23 LEU 92 HD23 LEU 92 -0.793 -21.723 14.633 139 H LEU 92 HN LEU 92 1.996 -18.204 15.833 140 HB3 LEU 92 HB1 LEU 92 0.558 -20.130 13.171 141 HA GLU 93 HA GLU 93 4.631 -18.591 11.288 142 HB2 GLU 93 HB2 GLU 93 4.824 -15.922 12.765 143 HG2 GLU 93 HG2 GLU 93 3.136 -16.578 10.332 144 H GLU 93 HN GLU 93 3.511 -17.695 13.838 145 HB3 GLU 93 HB1 GLU 93 5.396 -16.214 11.122 146 HG3 GLU 93 HG1 GLU 93 2.500 -16.510 11.974 147 HA3 GLY 94 HA2 GLY 94 7.666 -19.383 15.432 148 H GLY 94 HN GLY 94 5.621 -18.628 14.549 149 HA2 GLY 94 HA1 GLY 94 8.448 -19.103 13.887 150 HA ARG 95 HA ARG 95 8.958 -14.724 15.166 151 HB2 ARG 95 HB2 ARG 95 7.402 -14.033 13.374 152 HG2 ARG 95 HG2 ARG 95 6.947 -12.221 15.764 153 HD2 ARG 95 HD2 ARG 95 5.505 -11.699 13.810 154 HE ARG 95 HE ARG 95 8.019 -11.350 12.275 155 HH11 ARG 95 HH11 ARG 95 4.646 -12.249 12.312 156 HH12 ARG 95 HH12 ARG 95 4.589 -12.564 10.612 157 HH21 ARG 95 HH21 ARG 95 7.939 -11.731 10.050 158 HH22 ARG 95 HH22 ARG 95 6.455 -12.254 9.319 159 H ARG 95 HN ARG 95 6.800 -16.385 14.285 160 HB3 ARG 95 HB1 ARG 95 6.051 -14.113 14.495 161 HG3 ARG 95 HG1 ARG 95 8.371 -12.170 14.720 162 HD3 ARG 95 HD1 ARG 95 6.702 -10.440 14.122 163 HA ARG 96 HA ARG 96 7.354 -15.619 19.365 164 HB2 ARG 96 HB2 ARG 96 9.329 -16.357 20.730 165 HG2 ARG 96 HG2 ARG 96 10.829 -15.668 18.194 166 HD2 ARG 96 HD2 ARG 96 11.902 -17.545 20.315 167 HE ARG 96 HE ARG 96 13.441 -16.138 18.766 168 HH11 ARG 96 HH11 ARG 96 12.389 -19.437 18.172 169 HH12 ARG 96 HH12 ARG 96 13.772 -19.829 17.203 170 HH21 ARG 96 HH21 ARG 96 15.229 -16.657 17.480 171 HH22 ARG 96 HH22 ARG 96 15.388 -18.249 16.821 172 H ARG 96 HN ARG 96 9.280 -15.630 17.227 173 HB3 ARG 96 HB1 ARG 96 9.093 -17.312 19.267 174 HG3 ARG 96 HG1 ARG 96 11.232 -15.273 19.868 175 HD3 ARG 96 HD1 ARG 96 11.249 -18.102 18.770 176 HA3 GLY 97 HA2 GLY 97 8.443 -11.219 19.930 177 H GLY 97 HN GLY 97 9.289 -13.210 18.004 178 HA2 GLY 97 HA1 GLY 97 10.191 -11.464 19.863 179 HA SER 98 HA SER 98 8.941 -8.436 16.562 180 HB2 SER 98 HB2 SER 98 9.167 -6.703 18.301 181 HG SER 98 HG SER 98 9.659 -5.286 16.838 182 H SER 98 HN SER 98 9.771 -9.061 19.194 183 HB3 SER 98 HB1 SER 98 10.911 -6.968 18.371 184 HA ALA 99 HA ALA 99 12.176 -9.699 13.903 185 HB2 ALA 99 HB1 ALA 99 12.609 -8.208 11.986 186 HB3 ALA 99 HB2 ALA 99 11.801 -6.880 12.824 187 HB1 ALA 99 HB3 ALA 99 10.881 -8.303 12.334 188 H ALA 99 HN ALA 99 10.318 -7.768 14.745 189 HA LYS 100 HA LYS 100 15.500 -6.434 15.145 190 HB2 LYS 100 HB2 LYS 100 15.424 -4.573 16.751 191 HG2 LYS 100 HG2 LYS 100 12.427 -5.029 16.975 192 HD2 LYS 100 HD2 LYS 100 12.508 -3.190 18.626 193 HE2 LYS 100 HE2 LYS 100 12.960 -1.275 17.141 194 HZ2 LYS 100 HZ1 LYS 100 10.895 -2.394 16.790 195 HZ1 LYS 100 HZ2 LYS 100 11.618 -3.537 15.780 196 HZ3 LYS 100 HZ3 LYS 100 11.518 -1.924 15.293 197 H LYS 100 HN LYS 100 12.663 -6.482 15.323 198 HB3 LYS 100 HB1 LYS 100 14.239 -4.364 15.467 199 HG3 LYS 100 HG1 LYS 100 13.592 -5.370 18.256 200 HD3 LYS 100 HD1 LYS 100 14.238 -2.989 18.335 201 HE3 LYS 100 HE1 LYS 100 13.751 -2.347 15.986 202 HA TRP 101 HA TRP 101 15.216 -8.196 19.609 203 HB2 TRP 101 HB2 TRP 101 12.784 -8.083 20.140 204 HD1 TRP 101 HD1 TRP 101 14.092 -8.331 22.513 205 HE1 TRP 101 HE1 TRP 101 14.431 -10.337 24.077 206 HE3 TRP 101 HE3 TRP 101 12.777 -12.105 19.319 207 HZ2 TRP 101 HZ2 TRP 101 14.188 -13.143 23.983 208 HZ3 TRP 101 HZ3 TRP 101 12.863 -14.423 20.137 209 HH2 TRP 101 HH2 TRP 101 13.554 -14.931 22.426 210 H TRP 101 HN TRP 101 13.260 -7.647 17.621 211 HB3 TRP 101 HB1 TRP 101 12.509 -9.559 19.218 212 HA MET 102 HA MET 102 15.128 -12.574 17.771 213 HB2 MET 102 HB2 MET 102 13.698 -11.820 15.195 214 HG2 MET 102 HG2 MET 102 12.795 -13.508 17.545 215 HE2 MET 102 HE1 MET 102 12.070 -12.312 13.817 216 HE1 MET 102 HE2 MET 102 10.792 -11.552 14.767 217 HE3 MET 102 HE3 MET 102 10.401 -12.852 13.640 218 H MET 102 HN MET 102 13.836 -10.140 16.986 219 HB3 MET 102 HB1 MET 102 14.295 -13.437 15.552 220 HG3 MET 102 HG1 MET 102 12.137 -11.941 17.075 221 HA ALA 103 HA ALA 103 18.194 -11.295 14.382 222 HB2 ALA 103 HB1 ALA 103 18.648 -9.124 13.318 223 HB1 ALA 103 HB2 ALA 103 17.504 -8.340 14.414 224 HB3 ALA 103 HB3 ALA 103 16.929 -9.520 13.237 225 H ALA 103 HN ALA 103 16.098 -9.853 15.803 226 HA GLU 104 HA GLU 104 20.774 -8.674 17.317 227 HB2 GLU 104 HB2 GLU 104 18.567 -7.124 18.743 228 HG2 GLU 104 HG2 GLU 104 20.041 -6.427 16.183 229 H GLU 104 HN GLU 104 17.851 -8.975 17.042 230 HB3 GLU 104 HB1 GLU 104 20.284 -6.710 18.671 231 HG3 GLU 104 HG1 GLU 104 18.321 -6.723 16.356 232 HA HIS 105 HA HIS 105 19.932 -11.275 20.935 233 HB2 HIS 105 HB2 HIS 105 16.893 -11.080 21.244 234 HD1 HIS 105 HD1 HIS 105 19.107 -9.645 23.840 235 HD2 HIS 105 HD2 HIS 105 16.795 -8.273 20.672 236 HE1 HIS 105 HE1 HIS 105 18.872 -7.171 24.190 237 HE2 HIS 105 HE2 HIS 105 17.381 -6.375 22.325 238 H HIS 105 HN HIS 105 18.119 -10.259 18.813 239 HB3 HIS 105 HB1 HIS 105 18.061 -11.530 22.479 No H/Q in entry = 239 In of MODEL 1 1 HA PRO 106 HA PRO 106 18.478 -14.560 17.912 2 HB2 PRO 106 HB2 PRO 106 21.297 -15.489 17.863 3 HG2 PRO 106 HG2 PRO 106 22.345 -13.472 17.362 4 HD2 PRO 106 HD2 PRO 106 21.681 -13.118 19.616 5 HB3 PRO 106 HB1 PRO 106 20.258 -14.985 16.526 6 HG3 PRO 106 HG1 PRO 106 20.852 -12.746 16.724 7 HD3 PRO 106 HD1 PRO 106 20.999 -11.687 18.820 8 HA LEU 107 HA LEU 107 18.293 -17.450 21.247 9 HB2 LEU 107 HB2 LEU 107 16.031 -17.559 20.122 10 HG LEU 107 HG LEU 107 17.168 -20.235 21.031 11 HD13 LEU 107 HD11 LEU 107 15.913 -19.789 23.089 12 HD12 LEU 107 HD12 LEU 107 15.371 -18.240 22.446 13 HD11 LEU 107 HD13 LEU 107 17.085 -18.510 22.774 14 HD23 LEU 107 HD21 LEU 107 14.844 -21.028 21.189 15 HD22 LEU 107 HD22 LEU 107 15.309 -20.678 19.525 16 HD21 LEU 107 HD23 LEU 107 14.283 -19.544 20.410 17 H LEU 107 HN LEU 107 17.725 -16.446 18.611 18 HB3 LEU 107 HB1 LEU 107 16.686 -18.740 18.999 19 HA ALA 108 HA ALA 108 21.578 -20.228 20.150 20 HB1 ALA 108 HB1 ALA 108 21.680 -20.298 22.606 21 HB2 ALA 108 HB2 ALA 108 21.997 -21.891 21.915 22 HB3 ALA 108 HB3 ALA 108 20.423 -21.538 22.638 23 H ALA 108 HN ALA 108 19.469 -19.321 21.809 24 HA SER 109 HA SER 109 19.770 -23.536 17.820 25 HB2 SER 109 HB2 SER 109 17.628 -22.601 18.720 26 HG SER 109 HG SER 109 17.480 -23.096 15.926 27 H SER 109 HN SER 109 20.619 -20.846 18.186 28 HB3 SER 109 HB1 SER 109 17.633 -21.381 17.451 No H/Q in entry = 28 In of MODEL 2 1 H1 MET 1 HT2 MET 1 4.299 1.620 -0.560 2 H2 MET 1 HT1 MET 1 4.861 1.710 -2.150 3 H3 MET 1 HT3 MET 1 5.889 2.108 -0.866 4 HB3 MET 1 HB1 MET 1 2.702 4.691 -1.869 5 HG3 MET 1 HG1 MET 1 3.069 2.033 -3.271 6 HA MET 1 HA MET 1 5.133 4.101 -1.942 7 HB2 MET 1 HB2 MET 1 2.343 3.103 -1.203 8 HG2 MET 1 HG2 MET 1 3.535 3.598 -3.940 9 HE1 MET 1 HE1 MET 1 1.800 5.511 -4.620 10 HE3 MET 1 HE2 MET 1 1.144 5.509 -2.982 11 HE2 MET 1 HE3 MET 1 0.060 5.381 -4.366 No H/Q in entry = 11 In of MODEL 2 1 HA GLU 2 HA GLU 2 5.199 5.699 2.171 2 HB2 GLU 2 HB2 GLU 2 4.825 8.224 0.503 3 HG2 GLU 2 HG2 GLU 2 7.395 7.028 1.591 4 H GLU 2 HN GLU 2 4.837 6.020 -0.671 5 HB3 GLU 2 HB1 GLU 2 5.309 8.192 2.198 6 HG3 GLU 2 HG1 GLU 2 6.905 7.000 -0.099 No H/Q in entry = 6 In of MODEL 2 1 HA VAL 3 HA VAL 3 0.783 6.220 2.725 2 HB VAL 3 HB VAL 3 -0.460 4.090 2.953 3 H VAL 3 HN VAL 3 3.271 4.611 2.713 No H/Q in entry = 3 In of MODEL 2 1 HA SER 4 HA SER 4 0.999 5.719 7.124 2 HB2 SER 4 HB2 SER 4 -1.424 7.491 6.564 3 HG SER 4 HG SER 4 0.731 8.085 5.645 4 H SER 4 HN SER 4 -0.471 6.177 4.607 5 HB3 SER 4 HB1 SER 4 -0.529 7.396 8.083 No H/Q in entry = 5 In of MODEL 2 1 HA ALA 5 HA ALA 5 -1.837 2.211 7.223 2 HB3 ALA 5 HB1 ALA 5 0.363 1.122 7.457 3 HB2 ALA 5 HB2 ALA 5 -0.806 0.449 8.595 4 HB1 ALA 5 HB3 ALA 5 0.421 1.590 9.157 5 H ALA 5 HN ALA 5 0.571 3.658 7.716 No H/Q in entry = 5 In of MODEL 2 1 HA ASN 6 HA ASN 6 -2.405 3.376 11.935 2 HB2 ASN 6 HB2 ASN 6 -1.990 5.606 12.963 3 HD21 ASN 6 HD21 ASN 6 -1.210 7.709 12.883 4 HD22 ASN 6 HD22 ASN 6 -0.918 8.552 11.401 5 H ASN 6 HN ASN 6 -0.823 4.311 9.793 6 HB3 ASN 6 HB1 ASN 6 -0.523 4.887 12.318 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 7 HA GLU 7 -5.765 6.449 10.483 2 HB2 GLU 7 HB2 GLU 7 -5.985 7.941 8.546 3 HG2 GLU 7 HG2 GLU 7 -3.277 6.939 7.603 4 H GLU 7 HN GLU 7 -3.110 5.856 9.448 5 HB3 GLU 7 HB1 GLU 7 -4.440 8.199 9.348 6 HG3 GLU 7 HG1 GLU 7 -4.806 6.555 6.815 No H/Q in entry = 6 In of MODEL 2 1 HA LEU 8 HA LEU 8 -6.827 3.510 6.843 2 HB2 LEU 8 HB2 LEU 8 -4.229 3.224 6.169 3 HG LEU 8 HG LEU 8 -4.641 1.578 4.493 4 HD13 LEU 8 HD11 LEU 8 -6.641 0.180 4.352 5 HD12 LEU 8 HD12 LEU 8 -7.181 0.779 5.922 6 HD11 LEU 8 HD13 LEU 8 -5.704 -0.174 5.800 7 HD21 LEU 8 HD21 LEU 8 -5.663 3.758 4.107 8 HD23 LEU 8 HD22 LEU 8 -7.165 3.201 4.851 9 HD22 LEU 8 HD23 LEU 8 -6.593 2.466 3.351 10 H LEU 8 HN LEU 8 -4.379 4.282 8.136 11 HB3 LEU 8 HB1 LEU 8 -4.421 1.684 6.970 No H/Q in entry = 11 In of MODEL 2 1 HA GLU 9 HA GLU 9 -5.261 1.240 11.411 2 HB2 GLU 9 HB2 GLU 9 -7.370 1.113 12.584 3 HG2 GLU 9 HG2 GLU 9 -8.782 2.366 10.219 4 H GLU 9 HN GLU 9 -5.167 2.748 9.759 5 HB3 GLU 9 HB1 GLU 9 -7.148 2.734 11.941 6 HG3 GLU 9 HG1 GLU 9 -8.879 0.642 10.595 No H/Q in entry = 6 In of MODEL 2 1 HA ALA 10 HA ALA 10 -6.567 -2.227 8.444 2 HB3 ALA 10 HB1 ALA 10 -4.688 -3.064 7.112 3 HB2 ALA 10 HB2 ALA 10 -3.605 -1.907 7.891 4 HB1 ALA 10 HB3 ALA 10 -4.917 -1.332 6.867 5 H ALA 10 HN ALA 10 -4.892 -0.032 8.997 No H/Q in entry = 5 In of MODEL 2 1 HA ALA 11 HA ALA 11 -3.483 -4.466 11.492 2 HB1 ALA 11 HB1 ALA 11 -3.289 -2.005 13.261 3 HB2 ALA 11 HB2 ALA 11 -2.040 -2.589 12.164 4 HB3 ALA 11 HB3 ALA 11 -2.505 -3.564 13.556 5 H ALA 11 HN ALA 11 -4.033 -1.778 10.823 No H/Q in entry = 5 In of MODEL 2 1 HA SER 12 HA SER 12 -7.042 -3.709 14.753 2 HB2 SER 12 HB2 SER 12 -8.550 -1.801 12.906 3 HG SER 12 HG SER 12 -7.243 -0.374 13.707 4 H SER 12 HN SER 12 -5.965 -2.207 12.623 5 HB3 SER 12 HB1 SER 12 -9.016 -2.267 14.544 No H/Q in entry = 5 In of MODEL 2 1 HA SER 13 HA SER 13 -10.131 -5.417 11.416 2 HB2 SER 13 HB2 SER 13 -9.921 -3.631 9.664 3 HG SER 13 HG SER 13 -10.049 -6.333 8.803 4 H SER 13 HN SER 13 -8.095 -3.459 11.355 5 HB3 SER 13 HB1 SER 13 -8.519 -4.471 9.002 No H/Q in entry = 5 In of MODEL 2 1 HA ARG 14 HA ARG 14 -6.490 -8.120 9.608 2 HB2 ARG 14 HB2 ARG 14 -4.665 -6.382 9.697 3 HG2 ARG 14 HG2 ARG 14 -2.710 -7.825 10.059 4 HD2 ARG 14 HD2 ARG 14 -4.351 -8.102 7.983 5 HE ARG 14 HE ARG 14 -4.783 -10.644 9.404 6 HH11 ARG 14 HH11 ARG 14 -5.599 -8.570 6.697 7 HH12 ARG 14 HH12 ARG 14 -6.640 -9.745 5.958 8 HH21 ARG 14 HH21 ARG 14 -6.146 -12.180 8.436 9 HH22 ARG 14 HH22 ARG 14 -6.963 -11.787 6.960 10 H ARG 14 HN ARG 14 -6.683 -5.577 10.781 11 HB3 ARG 14 HB1 ARG 14 -4.430 -6.760 11.393 12 HG3 ARG 14 HG1 ARG 14 -3.740 -9.064 10.779 13 HD3 ARG 14 HD1 ARG 14 -2.998 -9.200 8.229 No H/Q in entry = 13 In of MODEL 2 1 HA MET 15 HA MET 15 -5.710 -9.583 14.170 2 HB2 MET 15 HB2 MET 15 -7.009 -7.102 15.373 3 HG2 MET 15 HG2 MET 15 -4.721 -6.635 14.728 4 HE2 MET 15 HE1 MET 15 -1.264 -8.407 15.531 5 HE1 MET 15 HE2 MET 15 -2.058 -7.152 16.487 6 HE3 MET 15 HE3 MET 15 -2.010 -7.030 14.725 7 H MET 15 HN MET 15 -6.212 -7.079 13.003 8 HB3 MET 15 HB1 MET 15 -6.500 -8.505 16.313 9 HG3 MET 15 HG1 MET 15 -4.797 -6.815 16.482 No H/Q in entry = 9 In of MODEL 2 1 HA GLU 16 HA GLU 16 -10.598 -9.641 14.816 2 HB2 GLU 16 HB2 GLU 16 -11.002 -7.924 12.321 3 HG2 GLU 16 HG2 GLU 16 -10.344 -6.506 14.213 4 H GLU 16 HN GLU 16 -8.789 -7.849 13.662 5 HB3 GLU 16 HB1 GLU 16 -12.294 -8.637 13.280 6 HG3 GLU 16 HG1 GLU 16 -12.033 -6.259 13.764 No H/Q in entry = 6 In of MODEL 2 1 HA MET 17 HA MET 17 -10.774 -11.729 10.405 2 HB2 MET 17 HB2 MET 17 -8.343 -10.141 9.603 3 HG2 MET 17 HG2 MET 17 -9.476 -9.886 7.443 4 HE3 MET 17 HE1 MET 17 -13.006 -8.488 10.002 5 HE2 MET 17 HE2 MET 17 -12.161 -9.959 10.477 6 HE1 MET 17 HE3 MET 17 -12.956 -9.866 8.904 7 H MET 17 HN MET 17 -9.439 -9.506 11.469 8 HB3 MET 17 HB1 MET 17 -8.608 -11.676 8.800 9 HG3 MET 17 HG1 MET 17 -10.805 -10.885 8.010 No H/Q in entry = 9 In of MODEL 2 1 HA LEU 18 HA LEU 18 -6.691 -14.119 11.469 2 HB2 LEU 18 HB2 LEU 18 -5.898 -12.121 13.609 3 HG LEU 18 HG LEU 18 -5.342 -11.433 11.222 4 HD13 LEU 18 HD11 LEU 18 -3.029 -10.768 11.701 5 HD12 LEU 18 HD12 LEU 18 -2.981 -11.891 13.059 6 HD11 LEU 18 HD13 LEU 18 -4.081 -10.515 13.092 7 HD22 LEU 18 HD21 LEU 18 -3.531 -12.574 10.052 8 HD21 LEU 18 HD22 LEU 18 -4.905 -13.650 10.282 9 HD23 LEU 18 HD23 LEU 18 -3.474 -13.818 11.303 10 H LEU 18 HN LEU 18 -7.578 -11.480 11.952 11 HB3 LEU 18 HB1 LEU 18 -5.034 -13.621 13.313 No H/Q in entry = 11 In of MODEL 2 1 HA GLN 19 HA GLN 19 -8.620 -14.810 15.948 2 HB2 GLN 19 HB2 GLN 19 -10.806 -12.780 15.326 3 HG2 GLN 19 HG2 GLN 19 -8.818 -12.721 17.610 4 HE21 GLN 19 HE21 GLN 19 -8.821 -9.754 17.046 5 HE22 GLN 19 HE22 GLN 19 -10.258 -9.173 17.803 6 H GLN 19 HN GLN 19 -8.630 -12.705 14.062 7 HB3 GLN 19 HB1 GLN 19 -10.802 -13.818 16.749 8 HG3 GLN 19 HG1 GLN 19 -8.639 -11.785 16.131 No H/Q in entry = 8 In of MODEL 2 1 HA ARG 20 HA ARG 20 -12.386 -16.541 13.668 2 HB2 ARG 20 HB2 ARG 20 -13.780 -15.719 11.761 3 HG2 ARG 20 HG2 ARG 20 -12.095 -13.197 11.858 4 HD2 ARG 20 HD2 ARG 20 -14.530 -12.850 11.383 5 HE ARG 20 HE ARG 20 -14.039 -14.814 9.240 6 HH11 ARG 20 HH11 ARG 20 -16.350 -12.680 10.819 7 HH12 ARG 20 HH12 ARG 20 -17.705 -13.350 9.975 8 HH21 ARG 20 HH21 ARG 20 -15.814 -15.674 8.161 9 HH22 ARG 20 HH22 ARG 20 -17.404 -15.054 8.469 10 H ARG 20 HN ARG 20 -10.929 -14.046 13.336 11 HB3 ARG 20 HB1 ARG 20 -13.677 -14.574 13.092 12 HG3 ARG 20 HG1 ARG 20 -12.033 -14.380 10.547 13 HD3 ARG 20 HD1 ARG 20 -13.477 -12.408 10.036 No H/Q in entry = 13 In of MODEL 2 1 HA GLU 21 HA GLU 21 -9.930 -17.388 9.660 2 HB2 GLU 21 HB2 GLU 21 -8.515 -15.258 9.734 3 HG2 GLU 21 HG2 GLU 21 -6.625 -16.076 8.377 4 H GLU 21 HN GLU 21 -9.571 -15.702 11.990 5 HB3 GLU 21 HB1 GLU 21 -7.335 -16.156 10.672 6 HG3 GLU 21 HG1 GLU 21 -7.066 -17.735 8.781 No H/Q in entry = 6 In of MODEL 2 1 HA TYR 22 HA TYR 22 -7.237 -20.313 12.081 2 HB2 TYR 22 HB2 TYR 22 -5.652 -18.313 13.764 3 HD1 TYR 22 HD1 TYR 22 -4.665 -16.587 12.491 4 HD2 TYR 22 HD2 TYR 22 -5.216 -20.407 10.655 5 HE1 TYR 22 HE1 TYR 22 -3.622 -15.748 10.426 6 HE2 TYR 22 HE2 TYR 22 -4.172 -19.569 8.599 7 HH TYR 22 HH TYR 22 -3.839 -17.362 7.482 8 H TYR 22 HN TYR 22 -7.883 -17.461 12.592 9 HB3 TYR 22 HB1 TYR 22 -5.161 -19.953 13.337 No H/Q in entry = 9 In of MODEL 2 1 HA SER 23 HA SER 23 -9.178 -19.575 16.429 2 HB2 SER 23 HB2 SER 23 -7.642 -21.589 16.346 3 HG SER 23 HG SER 23 -9.054 -21.018 18.232 4 H SER 23 HN SER 23 -6.984 -18.396 15.070 5 HB3 SER 23 HB1 SER 23 -6.428 -20.667 17.232 No H/Q in entry = 5 In of MODEL 2 1 HA THR 24 HA THR 24 -7.540 -16.559 19.348 2 HB THR 24 HB THR 24 -9.419 -16.024 20.985 3 HG1 THR 24 HG1 THR 24 -11.001 -17.405 21.199 4 HG23 THR 24 HG21 THR 24 -9.322 -14.852 18.822 5 HG22 THR 24 HG22 THR 24 -10.996 -15.147 19.297 6 HG21 THR 24 HG23 THR 24 -10.240 -16.154 18.061 7 H THR 24 HN THR 24 -9.257 -18.872 18.660 No H/Q in entry = 7 In of MODEL 2 1 HA LEU 25 HA LEU 25 -6.015 -19.146 22.590 2 HB2 LEU 25 HB2 LEU 25 -4.401 -17.086 22.336 3 HG LEU 25 HG LEU 25 -4.491 -18.627 24.959 4 HD11 LEU 25 HD11 LEU 25 -4.292 -20.051 22.974 5 HD13 LEU 25 HD12 LEU 25 -2.803 -20.048 23.906 6 HD12 LEU 25 HD13 LEU 25 -2.904 -19.110 22.416 7 HD22 LEU 25 HD21 LEU 25 -2.130 -18.003 25.233 8 HD21 LEU 25 HD22 LEU 25 -3.162 -16.573 25.227 9 HD23 LEU 25 HD23 LEU 25 -2.214 -16.985 23.793 10 H LEU 25 HN LEU 25 -6.470 -16.592 21.351 11 HB3 LEU 25 HB1 LEU 25 -5.177 -16.492 23.795 No H/Q in entry = 11 In of MODEL 2 1 HA ARG 26 HA ARG 26 -9.347 -18.476 25.454 2 HB2 ARG 26 HB2 ARG 26 -10.257 -20.654 26.197 3 HG2 ARG 26 HG2 ARG 26 -7.988 -21.975 24.673 4 HD2 ARG 26 HD2 ARG 26 -10.193 -23.185 24.586 5 HE ARG 26 HE ARG 26 -10.814 -22.552 26.988 6 HH11 ARG 26 HH11 ARG 26 -9.470 -25.691 26.109 7 HH12 ARG 26 HH12 ARG 26 -10.211 -26.497 27.451 8 HH21 ARG 26 HH21 ARG 26 -11.784 -23.639 28.708 9 HH22 ARG 26 HH22 ARG 26 -11.513 -25.341 28.919 10 H ARG 26 HN ARG 26 -7.262 -20.053 24.136 11 HB3 ARG 26 HB1 ARG 26 -10.011 -20.614 24.456 12 HG3 ARG 26 HG1 ARG 26 -8.124 -21.943 26.429 13 HD3 ARG 26 HD1 ARG 26 -8.886 -24.084 25.366 No H/Q in entry = 13 In of MODEL 2 1 HA SER 27 HA SER 27 -6.424 -19.264 29.043 2 HB2 SER 27 HB2 SER 27 -6.538 -22.279 28.500 3 HG SER 27 HG SER 27 -8.431 -20.440 29.512 4 H SER 27 HN SER 27 -6.421 -20.306 26.315 5 HB3 SER 27 HB1 SER 27 -6.318 -21.524 30.082 No H/Q in entry = 5 In of MODEL 2 1 HA VAL 28 HA VAL 28 -2.174 -20.745 28.667 2 HB VAL 28 HB VAL 28 -2.090 -18.068 30.147 3 H VAL 28 HN VAL 28 -4.446 -19.576 30.139 No H/Q in entry = 3 In of MODEL 2 1 HA GLN 29 HA GLN 29 -1.072 -21.801 32.870 2 HB2 GLN 29 HB2 GLN 29 -0.996 -24.307 32.980 3 HG2 GLN 29 HG2 GLN 29 -1.592 -24.169 30.021 4 HE21 GLN 29 HE21 GLN 29 -0.512 -26.888 29.793 5 HE22 GLN 29 HE22 GLN 29 -1.776 -27.937 30.316 6 H GLN 29 HN GLN 29 -0.912 -21.980 29.935 7 HB3 GLN 29 HB1 GLN 29 -2.488 -23.687 32.278 8 HG3 GLN 29 HG1 GLN 29 -0.146 -24.856 30.748 No H/Q in entry = 8 In of MODEL 2 1 HA TYR 30 HA TYR 30 3.315 -21.849 32.015 2 HB2 TYR 30 HB2 TYR 30 3.277 -19.635 33.092 3 HD1 TYR 30 HD1 TYR 30 4.754 -21.022 36.078 4 HD2 TYR 30 HD2 TYR 30 5.528 -20.254 31.955 5 HE1 TYR 30 HE1 TYR 30 7.161 -21.276 36.483 6 HE2 TYR 30 HE2 TYR 30 7.938 -20.496 32.359 7 HH TYR 30 HH TYR 30 9.516 -20.307 34.239 8 H TYR 30 HN TYR 30 0.889 -21.016 33.323 9 HB3 TYR 30 HB1 TYR 30 2.935 -20.363 34.658 No H/Q in entry = 9 In of MODEL 2 1 HA ARG 31 HA ARG 31 3.314 -25.517 34.575 2 HB2 ARG 31 HB2 ARG 31 4.304 -26.307 31.804 3 HG2 ARG 31 HG2 ARG 31 1.675 -26.944 33.196 4 HD2 ARG 31 HD2 ARG 31 1.005 -28.036 31.131 5 HE ARG 31 HE ARG 31 2.815 -29.219 32.764 6 HH11 ARG 31 HH11 ARG 31 2.288 -29.412 29.292 7 HH12 ARG 31 HH12 ARG 31 2.946 -31.009 29.172 8 HH21 ARG 31 HH21 ARG 31 3.678 -31.315 32.568 9 HH22 ARG 31 HH22 ARG 31 3.727 -32.081 31.014 10 H ARG 31 HN ARG 31 3.623 -23.988 32.117 11 HB3 ARG 31 HB1 ARG 31 4.107 -27.435 33.147 12 HG3 ARG 31 HG1 ARG 31 1.877 -25.817 31.851 13 HD3 ARG 31 HD1 ARG 31 2.545 -27.622 30.371 No H/Q in entry = 13 In of MODEL 2 1 HA SER 32 HA SER 32 7.491 -24.154 35.609 2 HB2 SER 32 HB2 SER 32 7.661 -24.361 38.102 3 HG SER 32 HG SER 32 6.292 -25.554 39.140 4 H SER 32 HN SER 32 4.777 -24.806 36.033 5 HB3 SER 32 HB1 SER 32 6.264 -23.411 37.598 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 33 HA GLU 33 7.885 -28.984 36.683 2 HB2 GLU 33 HB2 GLU 33 5.528 -29.605 36.665 3 HG2 GLU 33 HG2 GLU 33 6.888 -31.147 34.427 4 H GLU 33 HN GLU 33 5.853 -27.174 36.198 5 HB3 GLU 33 HB1 GLU 33 5.401 -29.241 34.949 6 HG3 GLU 33 HG1 GLU 33 7.033 -31.505 36.149 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 34 HA GLU 34 9.023 -28.920 32.113 2 HB2 GLU 34 HB2 GLU 34 6.572 -27.359 31.202 3 HG2 GLU 34 HG2 GLU 34 6.096 -29.671 31.990 4 H GLU 34 HN GLU 34 6.832 -27.624 33.591 5 HB3 GLU 34 HB1 GLU 34 7.791 -28.005 30.104 6 HG3 GLU 34 HG1 GLU 34 5.737 -29.407 30.280 No H/Q in entry = 6 In of MODEL 2 1 HA3 GLY 35 HA2 GLY 35 9.313 -23.904 33.746 2 H GLY 35 HN GLY 35 8.352 -25.983 33.689 3 HA2 GLY 35 HA1 GLY 35 10.686 -24.607 32.903 No H/Q in entry = 3 In of MODEL 2 1 HA VAL 36 HA VAL 36 8.214 -22.639 29.494 2 HB VAL 36 HB VAL 36 7.068 -23.947 27.780 3 H VAL 36 HN VAL 36 7.434 -24.593 31.580 No H/Q in entry = 3 In of MODEL 2 1 HA ILE 37 HA ILE 37 4.025 -21.212 30.074 2 HB ILE 37 HB ILE 37 5.001 -19.482 27.746 3 HD12 ILE 37 HD11 ILE 37 4.994 -16.871 29.548 4 HD11 ILE 37 HD12 ILE 37 6.279 -17.299 28.415 5 HD13 ILE 37 HD13 ILE 37 6.656 -17.032 30.114 6 H ILE 37 HN ILE 37 6.544 -21.430 28.592 No H/Q in entry = 6 In of MODEL 2 1 HA VAL 38 HA VAL 38 2.338 -23.483 26.604 2 HB VAL 38 HB VAL 38 0.840 -24.412 29.096 3 H VAL 38 HN VAL 38 2.468 -22.545 29.388 No H/Q in entry = 3 In of MODEL 2 1 HA PHE 39 HA PHE 39 -1.135 -20.759 26.100 2 HB2 PHE 39 HB2 PHE 39 0.218 -21.123 23.387 3 HD1 PHE 39 HD1 PHE 39 -0.314 -18.025 25.331 4 HD2 PHE 39 HD2 PHE 39 2.554 -20.913 24.031 5 HE1 PHE 39 HE1 PHE 39 1.502 -16.533 26.022 6 HE2 PHE 39 HE2 PHE 39 4.370 -19.420 24.732 7 HZ PHE 39 HZ PHE 39 3.843 -17.220 25.727 8 H PHE 39 HN PHE 39 0.920 -22.680 25.247 9 HB3 PHE 39 HB1 PHE 39 -0.945 -19.870 23.791 No H/Q in entry = 9 In of MODEL 2 1 HA ILE 40 HA ILE 40 -3.627 -24.226 24.586 2 HB ILE 40 HB ILE 40 -5.213 -23.105 26.937 3 HD12 ILE 40 HD11 ILE 40 -5.298 -26.095 28.213 4 HD11 ILE 40 HD12 ILE 40 -5.020 -24.611 29.130 5 HD13 ILE 40 HD13 ILE 40 -3.812 -25.894 29.140 6 H ILE 40 HN ILE 40 -2.899 -22.144 26.466 No H/Q in entry = 6 In of MODEL 2 1 HA LEU 41 HA LEU 41 -5.892 -21.328 22.059 2 HB2 LEU 41 HB2 LEU 41 -5.175 -23.854 20.563 3 HG LEU 41 HG LEU 41 -3.480 -22.035 20.561 4 HD13 LEU 41 HD11 LEU 41 -3.138 -21.855 18.135 5 HD12 LEU 41 HD12 LEU 41 -4.791 -22.402 17.846 6 HD11 LEU 41 HD13 LEU 41 -3.615 -23.493 18.582 7 HD21 LEU 41 HD21 LEU 41 -5.698 -20.372 19.320 8 HD23 LEU 41 HD22 LEU 41 -4.006 -19.899 19.429 9 HD22 LEU 41 HD23 LEU 41 -4.943 -20.123 20.898 10 H LEU 41 HN LEU 41 -4.423 -23.696 22.693 11 HB3 LEU 41 HB1 LEU 41 -6.354 -22.752 19.868 No H/Q in entry = 11 In of MODEL 2 1 HA ALA 42 HA ALA 42 -10.069 -22.490 22.604 2 HB3 ALA 42 HB1 ALA 42 -11.622 -21.553 20.945 3 HB1 ALA 42 HB2 ALA 42 -10.287 -21.321 19.810 4 HB2 ALA 42 HB3 ALA 42 -10.330 -20.408 21.318 5 H ALA 42 HN ALA 42 -8.032 -21.402 20.956 No H/Q in entry = 5 In of MODEL 2 1 HA ASN 43 HA ASN 43 -10.225 -25.957 19.355 2 HB2 ASN 43 HB2 ASN 43 -8.600 -26.574 17.544 3 HD21 ASN 43 HD21 ASN 43 -7.487 -24.246 16.109 4 HD22 ASN 43 HD22 ASN 43 -5.902 -24.027 16.747 5 H ASN 43 HN ASN 43 -8.451 -23.680 19.755 6 HB3 ASN 43 HB1 ASN 43 -9.233 -24.944 17.368 No H/Q in entry = 6 In of MODEL 2 1 HA ASP 44 HA ASP 44 -7.112 -26.351 23.373 2 HB2 ASP 44 HB2 ASP 44 -8.321 -28.827 22.090 3 H ASP 44 HN ASP 44 -8.070 -25.265 21.676 4 HB3 ASP 44 HB1 ASP 44 -7.391 -28.899 23.586 No H/Q in entry = 4 In of MODEL 2 1 HA ARG 45 HA ARG 45 -3.559 -27.862 20.752 2 HB2 ARG 45 HB2 ARG 45 -4.113 -26.762 18.609 3 HG2 ARG 45 HG2 ARG 45 -1.376 -25.890 19.591 4 HD2 ARG 45 HD2 ARG 45 -2.379 -26.326 16.763 5 HE ARG 45 HE ARG 45 0.223 -26.516 17.681 6 HH11 ARG 45 HH11 ARG 45 -1.472 -24.555 15.296 7 HH12 ARG 45 HH12 ARG 45 -0.063 -24.347 14.311 8 HH21 ARG 45 HH21 ARG 45 2.031 -26.224 16.386 9 HH22 ARG 45 HH22 ARG 45 1.918 -25.283 14.932 10 H ARG 45 HN ARG 45 -5.753 -25.983 20.650 11 HB3 ARG 45 HB1 ARG 45 -3.740 -25.188 19.305 12 HG3 ARG 45 HG1 ARG 45 -1.764 -27.455 18.870 13 HD3 ARG 45 HD1 ARG 45 -1.998 -24.759 17.493 No H/Q in entry = 13 In of MODEL 2 1 HA GLU 46 HA GLU 46 -1.685 -25.496 24.017 2 HB2 GLU 46 HB2 GLU 46 -0.670 -28.356 24.229 3 HG2 GLU 46 HG2 GLU 46 -2.957 -26.944 25.639 4 H GLU 46 HN GLU 46 -2.157 -27.845 22.369 5 HB3 GLU 46 HB1 GLU 46 -0.422 -27.104 25.443 6 HG3 GLU 46 HG1 GLU 46 -3.052 -28.374 24.613 No H/Q in entry = 6 In of MODEL 2 1 HA LEU 47 HA LEU 47 1.963 -24.888 21.437 2 HB2 LEU 47 HB2 LEU 47 0.614 -22.252 22.001 3 HG LEU 47 HG LEU 47 -0.133 -23.581 19.993 4 HD11 LEU 47 HD11 LEU 47 -0.382 -21.147 20.021 5 HD13 LEU 47 HD12 LEU 47 -0.032 -21.725 18.394 6 HD12 LEU 47 HD13 LEU 47 1.240 -20.960 19.351 7 HD22 LEU 47 HD21 LEU 47 1.385 -23.812 18.068 8 HD21 LEU 47 HD22 LEU 47 2.027 -24.668 19.472 9 HD23 LEU 47 HD23 LEU 47 2.708 -23.106 19.004 10 H LEU 47 HN LEU 47 -0.430 -24.094 22.840 11 HB3 LEU 47 HB1 LEU 47 2.253 -22.277 21.363 No H/Q in entry = 11 In of MODEL 2 1 HA LYS 48 HA LYS 48 4.260 -24.481 25.176 2 HB2 LYS 48 HB2 LYS 48 4.091 -26.890 24.857 3 HG2 LYS 48 HG2 LYS 48 7.037 -26.180 25.101 4 HD2 LYS 48 HD2 LYS 48 5.540 -28.635 26.082 5 HE2 LYS 48 HE2 LYS 48 8.493 -27.950 26.210 6 HZ2 LYS 48 HZ1 LYS 48 8.683 -30.007 27.417 7 HZ1 LYS 48 HZ2 LYS 48 8.092 -30.303 25.858 8 HZ3 LYS 48 HZ3 LYS 48 7.042 -30.336 27.184 9 H LYS 48 HN LYS 48 3.711 -25.348 22.418 10 HB3 LYS 48 HB1 LYS 48 5.238 -26.840 23.520 11 HG3 LYS 48 HG1 LYS 48 5.874 -26.229 26.431 12 HD3 LYS 48 HD1 LYS 48 6.640 -28.609 24.699 13 HE3 LYS 48 HE1 LYS 48 7.384 -27.998 27.582 No H/Q in entry = 13 In of MODEL 2 1 HA PHE 49 HA PHE 49 8.110 -22.753 23.812 2 HB2 PHE 49 HB2 PHE 49 6.164 -20.404 24.047 3 HD1 PHE 49 HD1 PHE 49 8.620 -20.902 21.355 4 HD2 PHE 49 HD2 PHE 49 4.531 -21.427 22.505 5 HE1 PHE 49 HE1 PHE 49 8.002 -21.317 19.006 6 HE2 PHE 49 HE2 PHE 49 3.928 -21.840 20.157 7 HZ PHE 49 HZ PHE 49 5.661 -21.788 18.409 8 H PHE 49 HN PHE 49 5.539 -22.780 25.271 9 HB3 PHE 49 HB1 PHE 49 7.850 -20.221 23.579 No H/Q in entry = 9 In of MODEL 2 1 HA ARG 50 HA ARG 50 9.398 -21.729 27.922 2 HB2 ARG 50 HB2 ARG 50 11.935 -21.358 26.269 3 HG2 ARG 50 HG2 ARG 50 12.720 -23.443 27.456 4 HD2 ARG 50 HD2 ARG 50 10.329 -23.795 25.624 5 HE ARG 50 HE ARG 50 11.429 -25.861 26.885 6 HH11 ARG 50 HH11 ARG 50 11.991 -24.777 23.596 7 HH12 ARG 50 HH12 ARG 50 12.245 -26.375 22.991 8 HH21 ARG 50 HH21 ARG 50 11.748 -27.966 26.060 9 HH22 ARG 50 HH22 ARG 50 12.098 -28.189 24.377 10 H ARG 50 HN ARG 50 9.822 -21.860 25.045 11 HB3 ARG 50 HB1 ARG 50 11.898 -21.289 28.024 12 HG3 ARG 50 HG1 ARG 50 11.063 -23.688 28.006 13 HD3 ARG 50 HD1 ARG 50 12.014 -23.606 25.126 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 51 HA PRO 51 9.128 -17.228 28.477 2 HB2 PRO 51 HB2 PRO 51 11.428 -17.694 30.391 3 HG2 PRO 51 HG2 PRO 51 10.141 -19.138 31.723 4 HD2 PRO 51 HD2 PRO 51 10.693 -20.523 29.936 5 HB3 PRO 51 HB1 PRO 51 9.962 -16.725 30.620 6 HG3 PRO 51 HG1 PRO 51 8.614 -18.620 30.972 7 HD3 PRO 51 HD1 PRO 51 8.926 -20.572 29.756 No H/Q in entry = 7 In of MODEL 2 1 HA ASP 52 HA ASP 52 13.788 -16.392 27.412 2 HB2 ASP 52 HB2 ASP 52 14.494 -19.297 26.856 3 H ASP 52 HN ASP 52 12.345 -18.716 28.166 4 HB3 ASP 52 HB1 ASP 52 15.618 -17.937 26.914 No H/Q in entry = 4 In of MODEL 2 1 HA ASP 53 HA ASP 53 12.792 -17.994 22.964 2 HB2 ASP 53 HB2 ASP 53 10.235 -19.320 23.950 3 H ASP 53 HN ASP 53 11.850 -18.657 25.586 4 HB3 ASP 53 HB1 ASP 53 10.480 -18.968 22.245 No H/Q in entry = 4 In of MODEL 2 1 HA LEU 54 HA LEU 54 9.023 -15.243 22.942 2 HB2 LEU 54 HB2 LEU 54 8.332 -15.396 25.891 3 HG LEU 54 HG LEU 54 8.364 -17.679 24.847 4 HD12 LEU 54 HD11 LEU 54 5.601 -16.663 25.546 5 HD11 LEU 54 HD12 LEU 54 6.838 -17.203 26.685 6 HD13 LEU 54 HD13 LEU 54 6.129 -18.349 25.551 7 HD23 LEU 54 HD21 LEU 54 6.270 -16.538 22.960 8 HD22 LEU 54 HD22 LEU 54 6.714 -18.238 23.097 9 HD21 LEU 54 HD23 LEU 54 7.897 -17.070 22.521 10 H LEU 54 HN LEU 54 10.446 -16.579 25.137 11 HB3 LEU 54 HB1 LEU 54 7.273 -14.847 24.598 No H/Q in entry = 11 In of MODEL 2 1 HA GLN 55 HA GLN 55 10.765 -11.269 23.523 2 HB2 GLN 55 HB2 GLN 55 9.354 -11.040 21.480 3 HG2 GLN 55 HG2 GLN 55 8.646 -8.649 21.653 4 HE21 GLN 55 HE21 GLN 55 11.211 -8.749 24.007 5 HE22 GLN 55 HE22 GLN 55 12.498 -8.390 22.911 6 H GLN 55 HN GLN 55 8.869 -13.127 22.675 7 HB3 GLN 55 HB1 GLN 55 7.938 -10.772 22.481 8 HG3 GLN 55 HG1 GLN 55 9.042 -8.688 23.369 No H/Q in entry = 8 In of MODEL 2 1 HA ALA 56 HA ALA 56 7.228 -9.768 26.515 2 HB1 ALA 56 HB1 ALA 56 5.942 -12.514 26.801 3 HB2 ALA 56 HB2 ALA 56 5.314 -11.186 25.833 4 HB3 ALA 56 HB3 ALA 56 5.391 -11.028 27.590 5 H ALA 56 HN ALA 56 7.514 -11.962 24.785 No H/Q in entry = 5 In of MODEL 2 1 HA THR 57 HA THR 57 9.073 -12.424 29.856 2 HB THR 57 HB THR 57 8.765 -14.917 29.999 3 HG1 THR 57 HG1 THR 57 9.308 -15.003 27.539 4 HG21 THR 57 HG21 THR 57 6.857 -13.390 30.291 5 HG23 THR 57 HG22 THR 57 6.358 -14.902 29.538 6 HG22 THR 57 HG23 THR 57 6.547 -13.446 28.562 7 H THR 57 HN THR 57 8.945 -12.783 26.909 No H/Q in entry = 7 In of MODEL 2 1 HA TYR 58 HA TYR 58 13.078 -14.033 27.847 2 HB2 TYR 58 HB2 TYR 58 12.708 -12.493 25.849 3 HD1 TYR 58 HD1 TYR 58 14.559 -14.733 26.503 4 HD2 TYR 58 HD2 TYR 58 15.397 -10.628 25.666 5 HE1 TYR 58 HE1 TYR 58 16.762 -15.370 25.634 6 HE2 TYR 58 HE2 TYR 58 17.610 -11.263 24.799 7 HH TYR 58 HH TYR 58 18.477 -14.468 24.091 8 H TYR 58 HN TYR 58 11.081 -12.002 27.584 9 HB3 TYR 58 HB1 TYR 58 13.380 -11.182 26.812 No H/Q in entry = 9 In of MODEL 2 1 HA3 GLY 59 HA2 GLY 59 15.014 -13.829 31.792 2 H GLY 59 HN GLY 59 13.334 -14.236 30.096 3 HA2 GLY 59 HA1 GLY 59 14.887 -12.110 31.481 No H/Q in entry = 3 In of MODEL 2 1 HA ALA 60 HA ALA 60 11.150 -11.927 33.958 2 HB1 ALA 60 HB1 ALA 60 9.279 -13.382 32.059 3 HB2 ALA 60 HB2 ALA 60 9.688 -11.668 31.979 4 HB3 ALA 60 HB3 ALA 60 8.803 -12.298 33.369 5 H ALA 60 HN ALA 60 11.755 -13.203 31.440 No H/Q in entry = 5 In of MODEL 2 1 HA THR 61 HA THR 61 11.061 -15.496 36.468 2 HB THR 61 HB THR 61 10.184 -14.920 38.784 3 HG1 THR 61 HG1 THR 61 9.834 -12.464 38.882 4 HG22 THR 61 HG21 THR 61 12.130 -12.920 37.579 5 HG21 THR 61 HG22 THR 61 12.538 -14.520 38.210 6 HG23 THR 61 HG23 THR 61 11.930 -13.272 39.299 7 H THR 61 HN THR 61 10.109 -12.835 35.788 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 62 HA PRO 62 7.427 -18.073 36.092 2 HB2 PRO 62 HB2 PRO 62 7.895 -18.645 39.028 3 HG2 PRO 62 HG2 PRO 62 10.057 -19.468 38.594 4 HD2 PRO 62 HD2 PRO 62 10.396 -17.176 38.515 5 HB3 PRO 62 HB1 PRO 62 7.575 -19.780 37.706 6 HG3 PRO 62 HG1 PRO 62 9.756 -19.582 36.845 7 HD3 PRO 62 HD1 PRO 62 10.887 -17.563 36.850 No H/Q in entry = 7 In of MODEL 2 1 HA GLU 63 HA GLU 63 4.813 -16.285 39.817 2 HB2 GLU 63 HB2 GLU 63 5.262 -14.336 41.270 3 HG2 GLU 63 HG2 GLU 63 7.973 -14.172 39.914 4 H GLU 63 HN GLU 63 7.525 -16.115 39.081 5 HB3 GLU 63 HB1 GLU 63 6.550 -15.534 41.373 6 HG3 GLU 63 HG1 GLU 63 6.687 -12.982 39.740 No H/Q in entry = 6 In of MODEL 2 1 HA GLN 64 HA GLN 64 4.287 -12.230 37.245 2 HB2 GLN 64 HB2 GLN 64 6.951 -12.671 35.832 3 HG2 GLN 64 HG2 GLN 64 6.154 -10.341 37.599 4 HE21 GLN 64 HE21 GLN 64 7.855 -10.577 35.084 5 HE22 GLN 64 HE22 GLN 64 9.366 -9.920 35.557 6 H GLN 64 HN GLN 64 6.470 -14.054 37.678 7 HB3 GLN 64 HB1 GLN 64 5.851 -11.347 35.451 8 HG3 GLN 64 HG1 GLN 64 6.941 -11.778 38.240 No H/Q in entry = 8 In of MODEL 2 1 HA LEU 65 HA LEU 65 3.470 -15.134 33.598 2 HB2 LEU 65 HB2 LEU 65 5.311 -17.413 34.489 3 HG LEU 65 HG LEU 65 6.785 -15.469 34.374 4 HD11 LEU 65 HD11 LEU 65 7.687 -17.548 33.517 5 HD13 LEU 65 HD12 LEU 65 8.338 -16.177 32.625 6 HD12 LEU 65 HD13 LEU 65 7.081 -17.182 31.900 7 HD23 LEU 65 HD21 LEU 65 6.990 -14.113 32.318 8 HD22 LEU 65 HD22 LEU 65 5.427 -13.935 33.102 9 HD21 LEU 65 HD23 LEU 65 5.572 -14.931 31.650 10 H LEU 65 HN LEU 65 5.108 -15.294 36.082 11 HB3 LEU 65 HB1 LEU 65 4.695 -17.081 32.874 No H/Q in entry = 11 In of MODEL 2 1 HA ARG 66 HA ARG 66 0.894 -17.784 36.261 2 HB2 ARG 66 HB2 ARG 66 1.595 -16.264 38.818 3 HG2 ARG 66 HG2 ARG 66 2.462 -19.019 37.882 4 HD2 ARG 66 HD2 ARG 66 3.723 -19.129 40.023 5 HE ARG 66 HE ARG 66 0.815 -18.878 40.547 6 HH11 ARG 66 HH11 ARG 66 3.680 -20.904 40.350 7 HH12 ARG 66 HH12 ARG 66 2.823 -22.355 40.758 8 HH21 ARG 66 HH21 ARG 66 -0.287 -20.788 41.060 9 HH22 ARG 66 HH22 ARG 66 0.578 -22.289 41.166 10 H ARG 66 HN ARG 66 2.707 -15.464 36.621 11 HB3 ARG 66 HB1 ARG 66 0.521 -17.663 38.709 12 HG3 ARG 66 HG1 ARG 66 3.498 -17.617 38.144 13 HD3 ARG 66 HD1 ARG 66 2.893 -17.667 40.562 No H/Q in entry = 13 In of MODEL 2 1 HA GLU 67 HA GLU 67 -1.766 -13.962 36.846 2 HB2 GLU 67 HB2 GLU 67 -1.129 -11.528 37.429 3 HG2 GLU 67 HG2 GLU 67 1.496 -12.858 38.176 4 H GLU 67 HN GLU 67 1.096 -14.379 37.208 5 HB3 GLU 67 HB1 GLU 67 -0.954 -12.741 38.690 6 HG3 GLU 67 HG1 GLU 67 1.279 -11.539 37.027 No H/Q in entry = 6 In of MODEL 2 1 HA ILE 68 HA ILE 68 -0.942 -12.750 32.633 2 HB ILE 68 HB ILE 68 -1.613 -15.724 32.852 3 HD13 ILE 68 HD11 ILE 68 0.460 -17.274 32.709 4 HD12 ILE 68 HD12 ILE 68 2.003 -16.567 32.235 5 HD11 ILE 68 HD13 ILE 68 0.702 -16.693 31.055 6 H ILE 68 HN ILE 68 -2.250 -14.235 34.834 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 69 HA GLU 69 -5.201 -12.932 31.089 2 HB2 GLU 69 HB2 GLU 69 -4.929 -10.626 32.113 3 HG2 GLU 69 HG2 GLU 69 -6.410 -10.565 29.464 4 H GLU 69 HN GLU 69 -2.375 -12.013 31.045 5 HB3 GLU 69 HB1 GLU 69 -4.261 -10.061 30.587 6 HG3 GLU 69 HG1 GLU 69 -7.073 -11.140 30.994 No H/Q in entry = 6 In of MODEL 2 1 HA ILE 70 HA ILE 70 -4.464 -13.441 26.731 2 HB ILE 70 HB ILE 70 -7.467 -12.892 26.760 3 HD11 ILE 70 HD11 ILE 70 -5.499 -16.043 25.832 4 HD13 ILE 70 HD12 ILE 70 -5.850 -16.820 27.375 5 HD12 ILE 70 HD13 ILE 70 -4.724 -15.465 27.312 6 H ILE 70 HN ILE 70 -6.235 -12.664 28.887 No H/Q in entry = 6 In of MODEL 2 1 HA SER 71 HA SER 71 -3.404 -9.708 24.724 2 HB2 SER 71 HB2 SER 71 -4.493 -11.308 22.387 3 HG SER 71 HG SER 71 -1.895 -10.606 23.255 4 H SER 71 HN SER 71 -4.330 -12.296 24.614 5 HB3 SER 71 HB1 SER 71 -3.813 -9.701 22.154 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 72 HA PRO 72 -7.045 -6.950 24.236 2 HB2 PRO 72 HB2 PRO 72 -5.859 -4.830 22.977 3 HG2 PRO 72 HG2 PRO 72 -3.847 -5.935 22.354 4 HD2 PRO 72 HD2 PRO 72 -3.043 -7.778 23.568 5 HB3 PRO 72 HB1 PRO 72 -5.601 -5.167 24.698 6 HG3 PRO 72 HG1 PRO 72 -3.389 -5.132 23.873 7 HD3 PRO 72 HD1 PRO 72 -3.564 -7.107 25.130 No H/Q in entry = 7 In of MODEL 2 1 HA SER 73 HA SER 73 -6.812 -7.608 19.484 2 HB2 SER 73 HB2 SER 73 -5.149 -8.932 18.162 3 HG SER 73 HG SER 73 -3.131 -9.349 19.437 4 H SER 73 HN SER 73 -4.959 -8.052 21.656 5 HB3 SER 73 HB1 SER 73 -4.391 -7.604 19.041 No H/Q in entry = 5 In of MODEL 2 1 HA3 GLY 74 HA2 GLY 74 -7.694 -11.745 22.580 2 H GLY 74 HN GLY 74 -6.559 -9.857 22.003 3 HA2 GLY 74 HA1 GLY 74 -8.737 -11.484 21.200 No H/Q in entry = 3 In of MODEL 2 1 HA LEU 75 HA LEU 75 -5.911 -14.242 18.928 2 HB2 LEU 75 HB2 LEU 75 -3.618 -12.245 18.854 3 HG LEU 75 HG LEU 75 -5.594 -11.469 17.566 4 HD12 LEU 75 HD11 LEU 75 -3.291 -12.392 15.825 5 HD11 LEU 75 HD12 LEU 75 -3.352 -10.904 16.773 6 HD13 LEU 75 HD13 LEU 75 -4.457 -11.127 15.418 7 HD23 LEU 75 HD21 LEU 75 -5.290 -14.065 16.014 8 HD22 LEU 75 HD22 LEU 75 -6.375 -12.731 15.612 9 HD21 LEU 75 HD23 LEU 75 -6.627 -13.650 17.092 10 H LEU 75 HN LEU 75 -5.569 -11.647 20.134 11 HB3 LEU 75 HB1 LEU 75 -3.624 -13.757 17.951 No H/Q in entry = 11 In of MODEL 2 1 HA3 GLY 76 HA2 GLY 76 -2.451 -15.566 21.684 2 H GLY 76 HN GLY 76 -3.152 -12.868 20.717 3 HA2 GLY 76 HA1 GLY 76 -1.366 -14.183 21.539 No H/Q in entry = 3 In of MODEL 2 1 HA VAL 77 HA VAL 77 -2.733 -13.322 25.638 2 HB VAL 77 HB VAL 77 -0.919 -15.277 25.547 3 H VAL 77 HN VAL 77 -0.854 -13.275 23.377 No H/Q in entry = 3 In of MODEL 2 1 HA TYR 78 HA TYR 78 -0.085 -9.794 26.674 2 HB2 TYR 78 HB2 TYR 78 -2.198 -8.716 25.993 3 HD1 TYR 78 HD1 TYR 78 -2.874 -7.452 29.253 4 HD2 TYR 78 HD2 TYR 78 0.015 -7.233 26.106 5 HE1 TYR 78 HE1 TYR 78 -2.042 -5.329 30.165 6 HE2 TYR 78 HE2 TYR 78 0.843 -5.104 27.021 7 HH TYR 78 HH TYR 78 -0.032 -3.959 30.125 8 H TYR 78 HN TYR 78 -2.222 -11.725 27.245 9 HB3 TYR 78 HB1 TYR 78 -2.927 -9.102 27.548 No H/Q in entry = 9 In of MODEL 2 1 HA PHE 79 HA PHE 79 0.475 -10.869 30.959 2 HB2 PHE 79 HB2 PHE 79 3.286 -10.438 29.875 3 HD1 PHE 79 HD1 PHE 79 0.531 -12.795 30.151 4 HD2 PHE 79 HD2 PHE 79 4.586 -12.437 29.463 5 HE1 PHE 79 HE1 PHE 79 0.602 -15.045 29.204 6 HE2 PHE 79 HE2 PHE 79 4.626 -14.710 28.534 7 HZ PHE 79 HZ PHE 79 2.635 -16.016 28.413 8 H PHE 79 HN PHE 79 1.329 -10.229 28.246 9 HB3 PHE 79 HB1 PHE 79 2.872 -11.078 31.464 No H/Q in entry = 9 In of MODEL 2 1 HA GLU 80 HA GLU 80 0.131 -6.501 31.367 2 HB2 GLU 80 HB2 GLU 80 -2.065 -7.508 32.042 3 HG2 GLU 80 HG2 GLU 80 -1.304 -5.331 34.000 4 H GLU 80 HN GLU 80 -0.272 -9.266 32.054 5 HB3 GLU 80 HB1 GLU 80 -1.437 -7.720 33.671 6 HG3 GLU 80 HG1 GLU 80 -1.703 -5.024 32.309 No H/Q in entry = 6 In of MODEL 2 1 HA THR 81 HA THR 81 2.430 -6.905 35.673 2 HB THR 81 HB THR 81 3.530 -9.644 34.919 3 HG1 THR 81 HG1 THR 81 1.496 -9.383 36.827 4 HG21 THR 81 HG21 THR 81 4.801 -8.409 36.669 5 HG23 THR 81 HG22 THR 81 4.005 -9.836 37.332 6 HG22 THR 81 HG23 THR 81 3.320 -8.235 37.619 7 H THR 81 HN THR 81 1.248 -8.672 33.845 No H/Q in entry = 7 In of MODEL 2 1 HA LEU 82 HA LEU 82 6.162 -6.907 32.751 2 HB2 LEU 82 HB2 LEU 82 5.095 -8.442 30.355 3 HG LEU 82 HG LEU 82 4.638 -10.026 32.142 4 HD12 LEU 82 HD11 LEU 82 7.232 -10.751 30.763 5 HD11 LEU 82 HD12 LEU 82 5.606 -10.929 30.100 6 HD13 LEU 82 HD13 LEU 82 6.086 -11.874 31.504 7 HD21 LEU 82 HD21 LEU 82 6.010 -9.087 33.926 8 HD23 LEU 82 HD22 LEU 82 7.480 -9.630 33.110 9 HD22 LEU 82 HD23 LEU 82 6.306 -10.807 33.714 10 H LEU 82 HN LEU 82 3.462 -8.078 32.540 11 HB3 LEU 82 HB1 LEU 82 6.763 -8.249 30.881 No H/Q in entry = 11 In of MODEL 2 1 HA GLU 83 HA GLU 83 2.038 -4.836 30.149 2 HB2 GLU 83 HB2 GLU 83 4.585 -3.167 30.302 3 HG2 GLU 83 HG2 GLU 83 2.088 -3.047 32.005 4 H GLU 83 HN GLU 83 3.060 -6.184 31.629 5 HB3 GLU 83 HB1 GLU 83 3.014 -2.610 29.726 6 HG3 GLU 83 HG1 GLU 83 3.714 -3.449 32.552 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 84 HA GLU 84 4.079 -6.208 26.375 2 HB2 GLU 84 HB2 GLU 84 6.179 -6.627 27.898 3 HG2 GLU 84 HG2 GLU 84 7.447 -7.857 26.173 4 H GLU 84 HN GLU 84 3.420 -7.062 29.120 5 HB3 GLU 84 HB1 GLU 84 5.746 -8.326 27.818 6 HG3 GLU 84 HG1 GLU 84 5.938 -8.251 25.351 No H/Q in entry = 6 In of MODEL 2 1 HA ASP 85 HA ASP 85 1.692 -9.881 25.724 2 HB2 ASP 85 HB2 ASP 85 0.405 -9.566 23.694 3 H ASP 85 HN ASP 85 3.460 -7.683 24.805 4 HB3 ASP 85 HB1 ASP 85 0.635 -7.983 24.419 No H/Q in entry = 4 In of MODEL 2 1 HA VAL 86 HA VAL 86 3.908 -12.340 22.632 2 HB VAL 86 HB VAL 86 2.339 -14.486 24.190 3 H VAL 86 HN VAL 86 1.592 -11.791 24.402 No H/Q in entry = 3 In of MODEL 2 1 HA SER 87 HA SER 87 0.370 -12.191 19.902 2 HB2 SER 87 HB2 SER 87 2.870 -11.940 18.188 3 HG SER 87 HG SER 87 2.084 -10.224 19.774 4 H SER 87 HN SER 87 3.071 -11.917 20.671 5 HB3 SER 87 HB1 SER 87 1.217 -11.773 17.589 No H/Q in entry = 5 In of MODEL 2 1 HA LEU 88 HA LEU 88 0.108 -16.540 19.370 2 HB2 LEU 88 HB2 LEU 88 -2.246 -15.795 19.635 3 HG LEU 88 HG LEU 88 -1.908 -17.900 17.481 4 HD12 LEU 88 HD11 LEU 88 -2.288 -18.177 20.479 5 HD11 LEU 88 HD12 LEU 88 -0.794 -18.481 19.586 6 HD13 LEU 88 HD13 LEU 88 -2.203 -19.503 19.316 7 HD22 LEU 88 HD21 LEU 88 -4.201 -18.588 17.977 8 HD21 LEU 88 HD22 LEU 88 -4.167 -16.928 17.390 9 HD23 LEU 88 HD23 LEU 88 -4.379 -17.250 19.113 10 H LEU 88 HN LEU 88 -0.774 -13.882 19.238 11 HB3 LEU 88 HB1 LEU 88 -2.322 -15.447 17.921 No H/Q in entry = 11 In of MODEL 2 1 HA ILE 89 HA ILE 89 -0.205 -16.210 14.496 2 HB ILE 89 HB ILE 89 0.771 -13.315 14.494 3 HD12 ILE 89 HD11 ILE 89 -2.340 -15.509 14.612 4 HD11 ILE 89 HD12 ILE 89 -2.363 -14.907 12.950 5 HD13 ILE 89 HD13 ILE 89 -3.414 -14.184 14.165 6 H ILE 89 HN ILE 89 -0.365 -14.402 16.622 No H/Q in entry = 6 In of MODEL 2 1 HA3 GLY 90 HA2 GLY 90 4.561 -15.184 14.752 2 H GLY 90 HN GLY 90 2.287 -14.304 16.116 3 HA2 GLY 90 HA1 GLY 90 4.523 -14.551 16.390 No H/Q in entry = 3 In of MODEL 2 1 HA LEU 91 HA LEU 91 4.795 -18.609 18.163 2 HB2 LEU 91 HB2 LEU 91 1.789 -18.614 18.606 3 HG LEU 91 HG LEU 91 2.874 -16.762 19.836 4 HD13 LEU 91 HD11 LEU 91 2.088 -17.331 22.094 5 HD12 LEU 91 HD12 LEU 91 1.996 -19.036 21.640 6 HD11 LEU 91 HD13 LEU 91 0.949 -17.853 20.852 7 HD23 LEU 91 HD21 LEU 91 4.544 -17.241 21.596 8 HD22 LEU 91 HD22 LEU 91 5.147 -17.617 19.988 9 HD21 LEU 91 HD23 LEU 91 4.627 -18.919 21.063 10 H LEU 91 HN LEU 91 2.823 -16.653 17.497 11 HB3 LEU 91 HB1 LEU 91 2.900 -19.765 19.340 No H/Q in entry = 11 In of MODEL 2 1 HA LEU 92 HA LEU 92 2.173 -21.293 15.121 2 HB2 LEU 92 HB2 LEU 92 0.950 -18.871 13.739 3 HG LEU 92 HG LEU 92 -0.067 -19.311 16.012 4 HD12 LEU 92 HD11 LEU 92 -1.913 -19.817 13.659 5 HD11 LEU 92 HD12 LEU 92 -1.397 -18.243 14.272 6 HD13 LEU 92 HD13 LEU 92 -2.406 -19.285 15.271 7 HD23 LEU 92 HD21 LEU 92 -0.865 -21.993 14.820 8 HD22 LEU 92 HD22 LEU 92 -1.420 -21.339 16.362 9 HD21 LEU 92 HD23 LEU 92 0.280 -21.736 16.141 10 H LEU 92 HN LEU 92 2.071 -18.553 15.936 11 HB3 LEU 92 HB1 LEU 92 0.629 -20.547 13.311 No H/Q in entry = 11 In of MODEL 2 1 HA GLU 93 HA GLU 93 4.706 -19.424 11.506 2 HB2 GLU 93 HB2 GLU 93 5.173 -16.708 12.823 3 HG2 GLU 93 HG2 GLU 93 2.850 -16.873 12.127 4 H GLU 93 HN GLU 93 3.590 -18.280 13.925 5 HB3 GLU 93 HB1 GLU 93 5.724 -17.164 11.211 6 HG3 GLU 93 HG1 GLU 93 3.737 -15.764 11.089 No H/Q in entry = 6 In of MODEL 2 1 HA3 GLY 94 HA2 GLY 94 7.699 -19.933 15.763 2 H GLY 94 HN GLY 94 5.719 -19.086 14.798 3 HA2 GLY 94 HA1 GLY 94 8.493 -19.900 14.194 No H/Q in entry = 3 In of MODEL 2 1 HA ARG 95 HA ARG 95 9.354 -15.477 14.976 2 HB2 ARG 95 HB2 ARG 95 8.030 -14.894 12.959 3 HG2 ARG 95 HG2 ARG 95 7.795 -12.754 15.095 4 HD2 ARG 95 HD2 ARG 95 7.793 -12.425 12.081 5 HE ARG 95 HE ARG 95 7.539 -10.391 14.236 6 HH11 ARG 95 HH11 ARG 95 8.670 -11.274 11.030 7 HH12 ARG 95 HH12 ARG 95 9.218 -9.674 10.649 8 HH21 ARG 95 HH21 ARG 95 8.292 -8.310 13.750 9 HH22 ARG 95 HH22 ARG 95 9.001 -7.991 12.200 10 H ARG 95 HN ARG 95 7.069 -17.035 14.161 11 HB3 ARG 95 HB1 ARG 95 6.604 -14.627 13.959 12 HG3 ARG 95 HG1 ARG 95 9.170 -13.005 14.020 13 HD3 ARG 95 HD1 ARG 95 6.371 -12.259 13.118 No H/Q in entry = 13 In of MODEL 2 1 HA ARG 96 HA ARG 96 7.050 -15.639 18.956 2 HB2 ARG 96 HB2 ARG 96 8.543 -16.708 20.676 3 HG2 ARG 96 HG2 ARG 96 10.544 -16.609 18.420 4 HD2 ARG 96 HD2 ARG 96 11.861 -18.382 19.593 5 HE ARG 96 HE ARG 96 9.786 -18.820 17.800 6 HH11 ARG 96 HH11 ARG 96 11.546 -20.746 20.163 7 HH12 ARG 96 HH12 ARG 96 11.371 -22.206 19.244 8 HH21 ARG 96 HH21 ARG 96 9.606 -20.720 16.627 9 HH22 ARG 96 HH22 ARG 96 10.278 -22.187 17.248 10 H ARG 96 HN ARG 96 9.285 -16.220 17.197 11 HB3 ARG 96 HB1 ARG 96 8.269 -17.700 19.247 12 HG3 ARG 96 HG1 ARG 96 10.786 -16.303 20.140 13 HD3 ARG 96 HD1 ARG 96 10.425 -18.765 20.546 No H/Q in entry = 13 In of MODEL 2 1 HA3 GLY 97 HA2 GLY 97 8.813 -11.603 19.689 2 H GLY 97 HN GLY 97 9.464 -13.725 17.776 3 HA2 GLY 97 HA1 GLY 97 10.525 -11.969 19.439 No H/Q in entry = 3 In of MODEL 2 1 HA SER 98 HA SER 98 9.553 -9.192 15.968 2 HB2 SER 98 HB2 SER 98 10.134 -7.293 17.416 3 HG SER 98 HG SER 98 10.996 -6.110 15.853 4 H SER 98 HN SER 98 10.656 -9.724 18.588 5 HB3 SER 98 HB1 SER 98 11.819 -7.819 17.490 No H/Q in entry = 5 In of MODEL 2 1 HA ALA 99 HA ALA 99 12.514 -11.254 13.420 2 HB3 ALA 99 HB1 ALA 99 12.149 -8.678 11.842 3 HB1 ALA 99 HB2 ALA 99 11.167 -10.134 11.680 4 HB2 ALA 99 HB3 ALA 99 12.873 -10.167 11.228 5 H ALA 99 HN ALA 99 10.796 -9.084 13.984 No H/Q in entry = 5 In of MODEL 2 1 HA LYS 100 HA LYS 100 15.947 -7.837 13.808 2 HB2 LYS 100 HB2 LYS 100 14.125 -6.031 15.462 3 HG2 LYS 100 HG2 LYS 100 14.651 -4.297 13.740 4 HD2 LYS 100 HD2 LYS 100 13.341 -6.766 12.529 5 HE2 LYS 100 HE2 LYS 100 13.890 -4.977 10.856 6 HZ1 LYS 100 HZ1 LYS 100 13.677 -3.074 12.362 7 HZ3 LYS 100 HZ2 LYS 100 12.009 -3.336 12.460 8 HZ2 LYS 100 HZ3 LYS 100 12.710 -2.905 10.985 9 H LYS 100 HN LYS 100 13.125 -7.885 14.218 10 HB3 LYS 100 HB1 LYS 100 15.844 -5.734 15.251 11 HG3 LYS 100 HG1 LYS 100 15.479 -5.527 12.786 12 HD3 LYS 100 HD1 LYS 100 12.516 -5.550 13.507 13 HE3 LYS 100 HE1 LYS 100 12.158 -5.263 11.051 No H/Q in entry = 13 In of MODEL 2 1 HA TRP 101 HA TRP 101 15.762 -8.571 18.664 2 HB2 TRP 101 HB2 TRP 101 13.345 -8.338 19.068 3 HD1 TRP 101 HD1 TRP 101 14.632 -8.313 21.510 4 HE1 TRP 101 HE1 TRP 101 14.498 -10.004 23.429 5 HE3 TRP 101 HE3 TRP 101 12.918 -12.352 18.914 6 HZ2 TRP 101 HZ2 TRP 101 13.822 -12.707 23.794 7 HZ3 TRP 101 HZ3 TRP 101 12.566 -14.470 20.118 8 HH2 TRP 101 HH2 TRP 101 13.014 -14.637 22.517 9 H TRP 101 HN TRP 101 13.862 -8.308 16.630 10 HB3 TRP 101 HB1 TRP 101 13.048 -9.921 18.365 No H/Q in entry = 10 In of MODEL 2 1 HA MET 102 HA MET 102 15.837 -13.249 17.668 2 HB2 MET 102 HB2 MET 102 14.292 -13.037 15.062 3 HG2 MET 102 HG2 MET 102 13.528 -14.394 17.655 4 HE2 MET 102 HE1 MET 102 12.678 -13.686 13.836 5 HE1 MET 102 HE2 MET 102 11.428 -12.799 14.712 6 HE3 MET 102 HE3 MET 102 11.004 -14.234 13.777 7 H MET 102 HN MET 102 14.403 -11.053 16.485 8 HB3 MET 102 HB1 MET 102 14.982 -14.539 15.665 9 HG3 MET 102 HG1 MET 102 12.829 -12.898 17.037 No H/Q in entry = 9 In of MODEL 2 1 HA ALA 103 HA ALA 103 18.603 -12.480 13.858 2 HB3 ALA 103 HB1 ALA 103 17.234 -10.845 12.611 3 HB2 ALA 103 HB2 ALA 103 18.952 -10.460 12.496 4 HB1 ALA 103 HB3 ALA 103 17.910 -9.534 13.579 5 H ALA 103 HN ALA 103 16.620 -10.862 15.254 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 104 HA GLU 104 21.371 -9.619 16.405 2 HB2 GLU 104 HB2 GLU 104 19.203 -8.170 17.988 3 HG2 GLU 104 HG2 GLU 104 20.554 -7.359 15.399 4 H GLU 104 HN GLU 104 18.452 -10.042 16.366 5 HB3 GLU 104 HB1 GLU 104 20.900 -7.699 17.854 6 HG3 GLU 104 HG1 GLU 104 18.859 -7.735 15.617 No H/Q in entry = 6 In of MODEL 2 1 HA HIS 105 HA HIS 105 20.654 -11.913 20.351 2 HB2 HIS 105 HB2 HIS 105 17.613 -11.666 20.604 3 HD1 HIS 105 HD1 HIS 105 20.202 -10.264 22.943 4 HD2 HIS 105 HD2 HIS 105 17.413 -8.914 20.171 5 HE1 HIS 105 HE1 HIS 105 20.087 -7.774 23.257 6 HE2 HIS 105 HE2 HIS 105 18.295 -6.999 21.671 7 H HIS 105 HN HIS 105 18.766 -11.042 18.236 8 HB3 HIS 105 HB1 HIS 105 18.729 -12.146 21.882 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 106 HA PRO 106 19.783 -15.753 17.895 2 HB2 PRO 106 HB2 PRO 106 21.961 -17.136 18.965 3 HG2 PRO 106 HG2 PRO 106 22.687 -15.420 20.421 4 HD2 PRO 106 HD2 PRO 106 22.130 -13.146 20.022 5 HB3 PRO 106 HB1 PRO 106 22.052 -16.086 17.542 6 HG3 PRO 106 HG1 PRO 106 23.639 -15.076 18.956 7 HD3 PRO 106 HD1 PRO 106 22.177 -13.350 18.258 No H/Q in entry = 7 In of MODEL 2 1 HA LEU 107 HA LEU 107 18.366 -18.216 21.398 2 HB2 LEU 107 HB2 LEU 107 16.703 -16.674 20.326 3 HG LEU 107 HG LEU 107 15.369 -19.372 20.776 4 HD11 LEU 107 HD11 LEU 107 15.937 -17.169 22.789 5 HD13 LEU 107 HD12 LEU 107 16.665 -18.778 22.766 6 HD12 LEU 107 HD13 LEU 107 14.942 -18.595 23.082 7 HD22 LEU 107 HD21 LEU 107 13.355 -18.035 21.226 8 HD21 LEU 107 HD22 LEU 107 13.940 -17.773 19.587 9 HD23 LEU 107 HD23 LEU 107 14.233 -16.555 20.834 10 H LEU 107 HN LEU 107 19.203 -17.902 18.607 11 HB3 LEU 107 HB1 LEU 107 16.392 -17.881 19.092 No H/Q in entry = 11 In of MODEL 2 1 HA ALA 108 HA ALA 108 18.372 -22.498 20.188 2 HB3 ALA 108 HB1 ALA 108 16.383 -22.521 22.485 3 HB1 ALA 108 HB2 ALA 108 18.135 -22.662 22.636 4 HB2 ALA 108 HB3 ALA 108 17.217 -23.933 21.827 5 H ALA 108 HN ALA 108 17.334 -20.330 21.757 No H/Q in entry = 5 In of MODEL 2 1 HA SER 109 HA SER 109 15.089 -22.954 17.267 2 HB2 SER 109 HB2 SER 109 13.872 -21.261 18.662 3 HG SER 109 HG SER 109 12.749 -20.208 16.799 4 H SER 109 HN SER 109 17.378 -21.628 18.212 5 HB3 SER 109 HB1 SER 109 14.689 -19.959 17.798 6 H1 MET 1 HT1 MET 1 -11.515 1.129 -4.096 7 H2 MET 1 HT3 MET 1 -12.456 2.512 -4.324 8 H3 MET 1 HT2 MET 1 -12.183 1.455 -5.615 9 HB3 MET 1 HB1 MET 1 -9.980 4.390 -6.281 10 HG3 MET 1 HG1 MET 1 -11.618 4.224 -8.087 11 HA MET 1 HA MET 1 -9.855 1.955 -5.612 12 HB2 MET 1 HB2 MET 1 -11.626 4.444 -5.659 13 HG2 MET 1 HG2 MET 1 -12.321 2.784 -7.341 14 HE3 MET 1 HE1 MET 1 -10.394 1.375 -10.522 15 HE2 MET 1 HE2 MET 1 -11.190 2.946 -10.418 16 HE1 MET 1 HE3 MET 1 -11.965 1.514 -9.738 No H/Q in entry = 16 In of MODEL 3 1 HA GLU 2 HA GLU 2 -8.639 3.586 -1.603 2 HB2 GLU 2 HB2 GLU 2 -7.578 0.712 -1.616 3 HG2 GLU 2 HG2 GLU 2 -9.217 0.365 0.284 4 H GLU 2 HN GLU 2 -8.726 1.541 -3.742 5 HB3 GLU 2 HB1 GLU 2 -7.448 1.828 -0.267 6 HG3 GLU 2 HG1 GLU 2 -9.989 1.879 -0.186 No H/Q in entry = 6 In of MODEL 3 1 HA VAL 3 HA VAL 3 -4.581 4.250 -3.322 2 HB VAL 3 HB VAL 3 -4.226 6.629 -3.822 3 H VAL 3 HN VAL 3 -6.900 4.976 -1.619 No H/Q in entry = 3 In of MODEL 3 1 HA SER 4 HA SER 4 -3.062 5.496 1.076 2 HB2 SER 4 HB2 SER 4 -1.839 6.747 -0.678 3 HG SER 4 HG SER 4 -0.653 7.403 0.907 4 H SER 4 HN SER 4 -5.379 6.189 -0.393 5 HB3 SER 4 HB1 SER 4 -2.870 8.152 -0.438 No H/Q in entry = 5 In of MODEL 3 1 HA ALA 5 HA ALA 5 -4.817 7.710 4.388 2 HB1 ALA 5 HB1 ALA 5 -6.627 8.326 2.808 3 HB2 ALA 5 HB2 ALA 5 -7.274 8.002 4.417 4 HB3 ALA 5 HB3 ALA 5 -7.449 6.798 3.136 5 H ALA 5 HN ALA 5 -4.581 5.406 2.748 No H/Q in entry = 5 In of MODEL 3 1 HA ASN 6 HA ASN 6 -4.951 2.578 5.139 2 HB2 ASN 6 HB2 ASN 6 -5.527 4.372 7.539 3 HD21 ASN 6 HD21 ASN 6 -3.827 2.538 9.100 4 HD22 ASN 6 HD22 ASN 6 -2.204 2.933 8.658 5 H ASN 6 HN ASN 6 -4.362 4.572 4.214 6 HB3 ASN 6 HB1 ASN 6 -5.539 2.613 7.631 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 7 HA GLU 7 -9.551 3.771 4.691 2 HB2 GLU 7 HB2 GLU 7 -10.218 4.393 2.344 3 HG2 GLU 7 HG2 GLU 7 -7.220 4.307 1.838 4 H GLU 7 HN GLU 7 -6.907 4.104 3.669 5 HB3 GLU 7 HB1 GLU 7 -9.067 5.513 3.074 6 HG3 GLU 7 HG1 GLU 7 -8.452 3.367 1.008 No H/Q in entry = 6 In of MODEL 3 1 HA LEU 8 HA LEU 8 -9.161 -0.309 2.215 2 HB2 LEU 8 HB2 LEU 8 -7.019 -1.844 2.424 3 HG LEU 8 HG LEU 8 -5.649 0.870 2.611 4 HD13 LEU 8 HD11 LEU 8 -4.365 -0.036 4.492 5 HD12 LEU 8 HD12 LEU 8 -5.304 -1.533 4.421 6 HD11 LEU 8 HD13 LEU 8 -6.095 -0.013 4.839 7 HD22 LEU 8 HD21 LEU 8 -3.555 -0.301 2.124 8 HD21 LEU 8 HD22 LEU 8 -4.704 -0.499 0.804 9 HD23 LEU 8 HD23 LEU 8 -4.428 -1.828 1.934 10 H LEU 8 HN LEU 8 -7.322 1.647 3.198 11 HB3 LEU 8 HB1 LEU 8 -7.111 -0.598 1.203 No H/Q in entry = 11 In of MODEL 3 1 HA GLU 9 HA GLU 9 -7.852 -0.370 7.406 2 HB2 GLU 9 HB2 GLU 9 -10.000 -0.915 8.375 3 HG2 GLU 9 HG2 GLU 9 -11.059 -1.428 5.580 4 H GLU 9 HN GLU 9 -7.902 0.491 5.318 5 HB3 GLU 9 HB1 GLU 9 -10.248 0.328 7.156 6 HG3 GLU 9 HG1 GLU 9 -10.856 -2.634 6.850 No H/Q in entry = 6 In of MODEL 3 1 HA ALA 10 HA ALA 10 -7.830 -4.852 5.665 2 HB3 ALA 10 HB1 ALA 10 -5.889 -5.535 4.332 3 HB2 ALA 10 HB2 ALA 10 -5.139 -3.955 4.582 4 HB1 ALA 10 HB3 ALA 10 -6.640 -4.086 3.664 5 H ALA 10 HN ALA 10 -6.811 -2.228 5.385 No H/Q in entry = 5 In of MODEL 3 1 HA ALA 11 HA ALA 11 -4.221 -5.269 8.869 2 HB3 ALA 11 HB1 ALA 11 -3.329 -3.570 10.395 3 HB1 ALA 11 HB2 ALA 11 -4.449 -2.368 9.743 4 HB2 ALA 11 HB3 ALA 11 -3.177 -3.035 8.720 5 H ALA 11 HN ALA 11 -5.468 -3.064 7.522 No H/Q in entry = 5 In of MODEL 3 1 HA SER 12 HA SER 12 -7.517 -4.049 12.284 2 HB2 SER 12 HB2 SER 12 -8.243 -1.815 11.555 3 HG SER 12 HG SER 12 -10.756 -2.832 11.577 4 H SER 12 HN SER 12 -6.832 -3.015 9.738 5 HB3 SER 12 HB1 SER 12 -9.184 -2.513 10.237 No H/Q in entry = 5 In of MODEL 3 1 HA SER 13 HA SER 13 -10.817 -6.521 9.640 2 HB2 SER 13 HB2 SER 13 -10.764 -5.259 7.512 3 HG SER 13 HG SER 13 -11.519 -7.586 7.664 4 H SER 13 HN SER 13 -8.835 -4.615 9.068 5 HB3 SER 13 HB1 SER 13 -9.249 -6.039 7.057 No H/Q in entry = 5 In of MODEL 3 1 HA ARG 14 HA ARG 14 -7.159 -9.573 8.562 2 HB2 ARG 14 HB2 ARG 14 -5.323 -7.890 8.060 3 HG2 ARG 14 HG2 ARG 14 -3.372 -9.248 8.761 4 HD2 ARG 14 HD2 ARG 14 -4.887 -9.947 6.777 5 HE ARG 14 HE ARG 14 -6.662 -11.103 7.989 6 HH11 ARG 14 HH11 ARG 14 -3.691 -12.891 7.450 7 HH12 ARG 14 HH12 ARG 14 -4.465 -14.438 7.566 8 HH21 ARG 14 HH21 ARG 14 -7.659 -13.156 8.118 9 HH22 ARG 14 HH22 ARG 14 -6.695 -14.580 7.920 10 H ARG 14 HN ARG 14 -7.354 -6.788 8.940 11 HB3 ARG 14 HB1 ARG 14 -4.997 -7.798 9.779 12 HG3 ARG 14 HG1 ARG 14 -4.431 -10.237 9.764 13 HD3 ARG 14 HD1 ARG 14 -3.755 -11.131 7.424 No H/Q in entry = 13 In of MODEL 3 1 HA MET 15 HA MET 15 -6.174 -9.564 13.374 2 HB2 MET 15 HB2 MET 15 -7.131 -6.755 13.502 3 HG2 MET 15 HG2 MET 15 -5.509 -6.508 15.269 4 HE2 MET 15 HE1 MET 15 -1.832 -7.409 13.987 5 HE1 MET 15 HE2 MET 15 -2.736 -8.285 15.221 6 HE3 MET 15 HE3 MET 15 -2.737 -6.519 15.213 7 H MET 15 HN MET 15 -6.739 -7.579 11.498 8 HB3 MET 15 HB1 MET 15 -7.630 -7.710 14.886 9 HG3 MET 15 HG1 MET 15 -5.341 -8.258 15.424 No H/Q in entry = 9 In of MODEL 3 1 HA GLU 16 HA GLU 16 -11.006 -9.879 14.119 2 HB2 GLU 16 HB2 GLU 16 -11.894 -7.943 12.870 3 HG2 GLU 16 HG2 GLU 16 -13.242 -10.517 11.986 4 H GLU 16 HN GLU 16 -9.387 -8.253 12.501 5 HB3 GLU 16 HB1 GLU 16 -11.575 -8.748 11.335 6 HG3 GLU 16 HG1 GLU 16 -13.619 -9.582 13.428 No H/Q in entry = 6 In of MODEL 3 1 HA MET 17 HA MET 17 -11.162 -12.819 10.311 2 HB2 MET 17 HB2 MET 17 -8.875 -11.393 8.925 3 HG2 MET 17 HG2 MET 17 -11.138 -10.513 8.509 4 HE3 MET 17 HE1 MET 17 -14.344 -12.094 6.847 5 HE2 MET 17 HE2 MET 17 -12.995 -11.350 5.994 6 HE1 MET 17 HE3 MET 17 -13.613 -10.616 7.475 7 H MET 17 HN MET 17 -9.858 -10.375 10.806 8 HB3 MET 17 HB1 MET 17 -9.403 -12.991 8.402 9 HG3 MET 17 HG1 MET 17 -10.454 -11.257 7.058 No H/Q in entry = 9 In of MODEL 3 1 HA LEU 18 HA LEU 18 -6.834 -14.691 11.522 2 HB2 LEU 18 HB2 LEU 18 -6.329 -12.352 13.383 3 HG LEU 18 HG LEU 18 -5.608 -12.075 10.960 4 HD13 LEU 18 HD11 LEU 18 -3.422 -11.133 11.474 5 HD12 LEU 18 HD12 LEU 18 -3.369 -12.020 12.993 6 HD11 LEU 18 HD13 LEU 18 -4.575 -10.758 12.755 7 HD21 LEU 18 HD21 LEU 18 -4.977 -14.404 10.506 8 HD23 LEU 18 HD22 LEU 18 -3.616 -14.262 11.625 9 HD22 LEU 18 HD23 LEU 18 -3.655 -13.289 10.152 10 H LEU 18 HN LEU 18 -8.001 -12.116 11.720 11 HB3 LEU 18 HB1 LEU 18 -5.357 -13.815 13.443 No H/Q in entry = 11 In of MODEL 3 1 HA GLN 19 HA GLN 19 -8.811 -15.012 16.018 2 HB2 GLN 19 HB2 GLN 19 -11.030 -13.085 15.210 3 HG2 GLN 19 HG2 GLN 19 -8.899 -12.742 17.341 4 HE21 GLN 19 HE21 GLN 19 -9.038 -9.872 16.731 5 HE22 GLN 19 HE22 GLN 19 -10.424 -9.288 17.579 6 H GLN 19 HN GLN 19 -8.816 -13.087 13.963 7 HB3 GLN 19 HB1 GLN 19 -10.960 -13.952 16.746 8 HG3 GLN 19 HG1 GLN 19 -8.932 -11.905 15.791 No H/Q in entry = 8 In of MODEL 3 1 HA ARG 20 HA ARG 20 -12.577 -16.946 13.937 2 HB2 ARG 20 HB2 ARG 20 -14.133 -16.149 12.183 3 HG2 ARG 20 HG2 ARG 20 -11.971 -14.129 11.590 4 HD2 ARG 20 HD2 ARG 20 -14.003 -12.802 12.108 5 HE ARG 20 HE ARG 20 -15.334 -14.585 10.186 6 HH11 ARG 20 HH11 ARG 20 -15.600 -11.867 12.406 7 HH12 ARG 20 HH12 ARG 20 -17.320 -11.754 12.228 8 HH21 ARG 20 HH21 ARG 20 -17.585 -14.439 10.010 9 HH22 ARG 20 HH22 ARG 20 -18.438 -13.215 10.892 10 H ARG 20 HN ARG 20 -10.983 -14.584 13.233 11 HB3 ARG 20 HB1 ARG 20 -13.754 -14.885 13.348 12 HG3 ARG 20 HG1 ARG 20 -12.902 -15.119 10.461 13 HD3 ARG 20 HD1 ARG 20 -13.543 -12.720 10.407 No H/Q in entry = 13 In of MODEL 3 1 HA GLU 21 HA GLU 21 -10.424 -18.467 10.018 2 HB2 GLU 21 HB2 GLU 21 -9.298 -16.433 9.219 3 HG2 GLU 21 HG2 GLU 21 -7.185 -18.605 9.163 4 H GLU 21 HN GLU 21 -9.830 -16.398 12.024 5 HB3 GLU 21 HB1 GLU 21 -7.988 -16.659 10.368 6 HG3 GLU 21 HG1 GLU 21 -8.610 -18.593 8.115 No H/Q in entry = 6 In of MODEL 3 1 HA TYR 22 HA TYR 22 -6.965 -20.612 12.307 2 HB2 TYR 22 HB2 TYR 22 -5.660 -18.220 13.689 3 HD1 TYR 22 HD1 TYR 22 -4.566 -16.731 12.221 4 HD2 TYR 22 HD2 TYR 22 -5.081 -20.790 10.996 5 HE1 TYR 22 HE1 TYR 22 -3.468 -16.229 10.080 6 HE2 TYR 22 HE2 TYR 22 -3.982 -20.283 8.865 7 HH TYR 22 HH TYR 22 -3.628 -18.241 7.430 8 H TYR 22 HN TYR 22 -7.726 -17.780 12.296 9 HB3 TYR 22 HB1 TYR 22 -4.999 -19.854 13.614 No H/Q in entry = 9 In of MODEL 3 1 HA SER 23 HA SER 23 -9.104 -19.453 16.585 2 HB2 SER 23 HB2 SER 23 -7.532 -20.466 18.320 3 HG SER 23 HG SER 23 -5.670 -19.512 16.631 4 H SER 23 HN SER 23 -7.255 -18.186 14.931 5 HB3 SER 23 HB1 SER 23 -7.587 -21.361 16.802 No H/Q in entry = 5 In of MODEL 3 1 HA THR 24 HA THR 24 -7.373 -16.184 19.224 2 HB THR 24 HB THR 24 -9.052 -15.679 21.092 3 HG1 THR 24 HG1 THR 24 -11.115 -17.041 19.938 4 HG21 THR 24 HG21 THR 24 -9.136 -14.436 18.957 5 HG23 THR 24 HG22 THR 24 -10.756 -14.682 19.613 6 HG22 THR 24 HG23 THR 24 -10.191 -15.678 18.271 7 H THR 24 HN THR 24 -9.195 -18.455 18.696 No H/Q in entry = 7 In of MODEL 3 1 HA LEU 25 HA LEU 25 -6.062 -18.727 22.680 2 HB2 LEU 25 HB2 LEU 25 -4.498 -16.661 22.419 3 HG LEU 25 HG LEU 25 -4.507 -17.949 25.180 4 HD12 LEU 25 HD11 LEU 25 -3.145 -18.862 22.625 5 HD11 LEU 25 HD12 LEU 25 -4.515 -19.651 23.412 6 HD13 LEU 25 HD13 LEU 25 -2.957 -19.585 24.222 7 HD21 LEU 25 HD21 LEU 25 -2.269 -16.587 23.625 8 HD23 LEU 25 HD22 LEU 25 -2.098 -17.411 25.178 9 HD22 LEU 25 HD23 LEU 25 -3.075 -15.949 25.066 10 H LEU 25 HN LEU 25 -6.961 -16.060 21.755 11 HB3 LEU 25 HB1 LEU 25 -5.295 -16.021 23.848 No H/Q in entry = 11 In of MODEL 3 1 HA ARG 26 HA ARG 26 -9.340 -18.210 25.635 2 HB2 ARG 26 HB2 ARG 26 -10.245 -20.355 26.324 3 HG2 ARG 26 HG2 ARG 26 -7.912 -21.780 25.014 4 HD2 ARG 26 HD2 ARG 26 -10.108 -22.993 25.001 5 HE ARG 26 HE ARG 26 -10.154 -22.238 27.757 6 HH11 ARG 26 HH11 ARG 26 -11.155 -24.860 25.637 7 HH12 ARG 26 HH12 ARG 26 -12.460 -25.335 26.676 8 HH21 ARG 26 HH21 ARG 26 -11.872 -22.860 29.068 9 HH22 ARG 26 HH22 ARG 26 -12.857 -24.213 28.610 10 H ARG 26 HN ARG 26 -7.135 -19.692 24.366 11 HB3 ARG 26 HB1 ARG 26 -9.867 -20.410 24.607 12 HG3 ARG 26 HG1 ARG 26 -8.070 -21.577 26.757 13 HD3 ARG 26 HD1 ARG 26 -8.843 -23.807 25.931 No H/Q in entry = 13 In of MODEL 3 1 HA SER 27 HA SER 27 -6.328 -18.849 29.189 2 HB2 SER 27 HB2 SER 27 -6.446 -21.886 28.749 3 HG SER 27 HG SER 27 -8.363 -20.010 29.508 4 H SER 27 HN SER 27 -6.361 -19.941 26.489 5 HB3 SER 27 HB1 SER 27 -6.183 -21.076 30.296 No H/Q in entry = 5 In of MODEL 3 1 HA VAL 28 HA VAL 28 -2.092 -20.373 28.701 2 HB VAL 28 HB VAL 28 -1.802 -17.612 29.987 3 H VAL 28 HN VAL 28 -4.275 -19.018 30.164 No H/Q in entry = 3 In of MODEL 3 1 HA GLN 29 HA GLN 29 -0.554 -20.888 32.901 2 HB2 GLN 29 HB2 GLN 29 -0.866 -23.250 33.486 3 HG2 GLN 29 HG2 GLN 29 -1.411 -23.786 30.552 4 HE21 GLN 29 HE21 GLN 29 -1.628 -24.995 33.867 5 HE22 GLN 29 HE22 GLN 29 -2.552 -26.397 33.481 6 H GLN 29 HN GLN 29 -0.635 -21.380 30.026 7 HB3 GLN 29 HB1 GLN 29 -2.267 -22.674 32.590 8 HG3 GLN 29 HG1 GLN 29 -0.030 -24.383 31.456 No H/Q in entry = 8 In of MODEL 3 1 HA TYR 30 HA TYR 30 3.650 -21.779 31.748 2 HB2 TYR 30 HB2 TYR 30 4.031 -19.703 33.004 3 HD1 TYR 30 HD1 TYR 30 5.707 -21.416 35.675 4 HD2 TYR 30 HD2 TYR 30 5.981 -20.609 31.496 5 HE1 TYR 30 HE1 TYR 30 8.105 -21.978 35.721 6 HE2 TYR 30 HE2 TYR 30 8.369 -21.160 31.548 7 HH TYR 30 HH TYR 30 10.231 -21.160 33.282 8 H TYR 30 HN TYR 30 1.542 -20.879 33.540 9 HB3 TYR 30 HB1 TYR 30 3.788 -20.541 34.534 No H/Q in entry = 9 In of MODEL 3 1 HA ARG 31 HA ARG 31 3.801 -25.616 34.057 2 HB2 ARG 31 HB2 ARG 31 4.530 -26.344 31.189 3 HG2 ARG 31 HG2 ARG 31 1.929 -26.618 32.732 4 HD2 ARG 31 HD2 ARG 31 1.058 -27.871 30.784 5 HE ARG 31 HE ARG 31 2.642 -29.014 32.734 6 HH11 ARG 31 HH11 ARG 31 1.807 -29.842 29.413 7 HH12 ARG 31 HH12 ARG 31 1.940 -31.548 29.694 8 HH21 ARG 31 HH21 ARG 31 2.780 -31.251 33.074 9 HH22 ARG 31 HH22 ARG 31 2.493 -32.340 31.752 10 H ARG 31 HN ARG 31 4.096 -23.918 31.679 11 HB3 ARG 31 HB1 ARG 31 4.330 -27.502 32.508 12 HG3 ARG 31 HG1 ARG 31 2.205 -25.759 31.213 13 HD3 ARG 31 HD1 ARG 31 2.684 -27.924 30.095 No H/Q in entry = 13 In of MODEL 3 1 HA SER 32 HA SER 32 8.154 -24.682 34.752 2 HB2 SER 32 HB2 SER 32 7.046 -23.870 36.859 3 HG SER 32 HG SER 32 9.473 -24.850 36.635 4 H SER 32 HN SER 32 5.423 -25.060 35.400 5 HB3 SER 32 HB1 SER 32 6.942 -25.539 37.420 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 33 HA GLU 33 8.052 -29.561 35.681 2 HB2 GLU 33 HB2 GLU 33 5.688 -29.610 33.755 3 HG2 GLU 33 HG2 GLU 33 5.757 -30.440 36.672 4 H GLU 33 HN GLU 33 6.222 -27.531 35.138 5 HB3 GLU 33 HB1 GLU 33 6.488 -31.044 34.403 6 HG3 GLU 33 HG1 GLU 33 5.010 -28.966 36.054 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 34 HA GLU 34 9.464 -29.420 31.208 2 HB2 GLU 34 HB2 GLU 34 7.226 -27.684 30.078 3 HG2 GLU 34 HG2 GLU 34 6.241 -29.726 31.011 4 H GLU 34 HN GLU 34 7.286 -27.991 32.605 5 HB3 GLU 34 HB1 GLU 34 8.378 -28.633 29.137 6 HG3 GLU 34 HG1 GLU 34 6.167 -29.704 29.249 No H/Q in entry = 6 In of MODEL 3 1 HA3 GLY 35 HA2 GLY 35 9.854 -24.412 32.842 2 H GLY 35 HN GLY 35 8.713 -26.408 32.678 3 HA2 GLY 35 HA1 GLY 35 11.145 -25.111 31.873 No H/Q in entry = 3 In of MODEL 3 1 HA VAL 36 HA VAL 36 8.431 -22.979 28.718 2 HB VAL 36 HB VAL 36 7.105 -24.245 27.106 3 H VAL 36 HN VAL 36 7.793 -24.945 30.849 No H/Q in entry = 3 In of MODEL 3 1 HA ILE 37 HA ILE 37 4.328 -21.530 29.769 2 HB ILE 37 HB ILE 37 4.910 -19.706 27.391 3 HD12 ILE 37 HD11 ILE 37 7.168 -17.409 29.339 4 HD11 ILE 37 HD12 ILE 37 5.439 -17.171 29.088 5 HD13 ILE 37 HD13 ILE 37 6.470 -17.675 27.744 6 H ILE 37 HN ILE 37 6.610 -21.799 27.927 No H/Q in entry = 6 In of MODEL 3 1 HA VAL 38 HA VAL 38 2.063 -23.482 26.473 2 HB VAL 38 HB VAL 38 0.876 -24.300 29.164 3 H VAL 38 HN VAL 38 2.461 -22.412 29.188 No H/Q in entry = 3 In of MODEL 3 1 HA PHE 39 HA PHE 39 -1.182 -20.427 26.249 2 HB2 PHE 39 HB2 PHE 39 0.091 -20.648 23.475 3 HD1 PHE 39 HD1 PHE 39 -0.318 -17.622 25.525 4 HD2 PHE 39 HD2 PHE 39 2.436 -20.605 24.184 5 HE1 PHE 39 HE1 PHE 39 1.556 -16.226 26.286 6 HE2 PHE 39 HE2 PHE 39 4.312 -19.200 24.947 7 HZ PHE 39 HZ PHE 39 3.870 -17.010 25.999 8 H PHE 39 HN PHE 39 0.970 -22.141 25.283 9 HB3 PHE 39 HB1 PHE 39 -1.035 -19.400 24.001 No H/Q in entry = 9 In of MODEL 3 1 HA ILE 40 HA ILE 40 -3.667 -23.927 24.785 2 HB ILE 40 HB ILE 40 -5.325 -22.665 27.022 3 HD13 ILE 40 HD11 ILE 40 -3.754 -24.885 29.651 4 HD12 ILE 40 HD12 ILE 40 -5.288 -25.213 28.847 5 HD11 ILE 40 HD13 ILE 40 -4.923 -23.584 29.425 6 H ILE 40 HN ILE 40 -2.891 -21.820 26.598 No H/Q in entry = 6 In of MODEL 3 1 HA LEU 41 HA LEU 41 -5.614 -20.994 22.011 2 HB2 LEU 41 HB2 LEU 41 -5.501 -23.765 20.756 3 HG LEU 41 HG LEU 41 -3.349 -22.558 20.693 4 HD12 LEU 41 HD11 LEU 41 -4.658 -22.582 17.944 5 HD11 LEU 41 HD12 LEU 41 -3.897 -23.961 18.734 6 HD13 LEU 41 HD13 LEU 41 -2.922 -22.574 18.273 7 HD21 LEU 41 HD21 LEU 41 -4.892 -20.344 19.325 8 HD23 LEU 41 HD22 LEU 41 -3.135 -20.427 19.483 9 HD22 LEU 41 HD23 LEU 41 -4.136 -20.285 20.922 10 H LEU 41 HN LEU 41 -4.448 -23.421 22.847 11 HB3 LEU 41 HB1 LEU 41 -6.295 -22.426 19.939 No H/Q in entry = 11 In of MODEL 3 1 HA ALA 42 HA ALA 42 -9.961 -21.398 22.549 2 HB3 ALA 42 HB1 ALA 42 -11.325 -20.591 20.660 3 HB1 ALA 42 HB2 ALA 42 -9.934 -20.745 19.580 4 HB2 ALA 42 HB3 ALA 42 -9.903 -19.572 20.897 5 H ALA 42 HN ALA 42 -7.758 -20.878 20.867 No H/Q in entry = 5 In of MODEL 3 1 HA ASN 43 HA ASN 43 -10.554 -25.335 19.954 2 HB2 ASN 43 HB2 ASN 43 -9.194 -26.385 18.157 3 HD21 ASN 43 HD21 ASN 43 -7.985 -23.200 17.577 4 HD22 ASN 43 HD22 ASN 43 -6.306 -23.605 17.581 5 H ASN 43 HN ASN 43 -8.531 -23.220 19.913 6 HB3 ASN 43 HB1 ASN 43 -9.613 -24.725 17.764 No H/Q in entry = 6 In of MODEL 3 1 HA ASP 44 HA ASP 44 -7.399 -25.439 23.865 2 HB2 ASP 44 HB2 ASP 44 -9.000 -27.845 22.929 3 H ASP 44 HN ASP 44 -8.231 -24.521 22.011 4 HB3 ASP 44 HB1 ASP 44 -8.019 -27.907 24.392 No H/Q in entry = 4 In of MODEL 3 1 HA ARG 45 HA ARG 45 -4.114 -27.867 21.481 2 HB2 ARG 45 HB2 ARG 45 -4.602 -27.032 19.237 3 HG2 ARG 45 HG2 ARG 45 -1.767 -26.351 20.079 4 HD2 ARG 45 HD2 ARG 45 -2.920 -26.509 17.280 5 HE ARG 45 HE ARG 45 -0.281 -27.020 18.074 6 HH11 ARG 45 HH11 ARG 45 -1.962 -24.970 15.761 7 HH12 ARG 45 HH12 ARG 45 -0.652 -24.989 14.626 8 HH21 ARG 45 HH21 ARG 45 1.435 -27.006 16.597 9 HH22 ARG 45 HH22 ARG 45 1.275 -26.141 15.103 10 H ARG 45 HN ARG 45 -6.033 -25.739 21.118 11 HB3 ARG 45 HB1 ARG 45 -4.123 -25.402 19.698 12 HG3 ARG 45 HG1 ARG 45 -2.341 -27.832 19.303 13 HD3 ARG 45 HD1 ARG 45 -2.288 -25.062 18.069 No H/Q in entry = 13 In of MODEL 3 1 HA GLU 46 HA GLU 46 -1.612 -25.456 24.249 2 HB2 GLU 46 HB2 GLU 46 -0.132 -28.119 24.158 3 HG2 GLU 46 HG2 GLU 46 -1.373 -28.322 26.503 4 H GLU 46 HN GLU 46 -2.230 -27.800 22.644 5 HB3 GLU 46 HB1 GLU 46 0.008 -26.880 25.390 6 HG3 GLU 46 HG1 GLU 46 -2.594 -27.344 25.699 No H/Q in entry = 6 In of MODEL 3 1 HA LEU 47 HA LEU 47 1.596 -24.440 21.239 2 HB2 LEU 47 HB2 LEU 47 0.205 -21.887 22.066 3 HG LEU 47 HG LEU 47 -0.756 -23.076 20.103 4 HD11 LEU 47 HD11 LEU 47 -0.893 -20.637 20.153 5 HD13 LEU 47 HD12 LEU 47 -0.707 -21.213 18.498 6 HD12 LEU 47 HD13 LEU 47 0.673 -20.511 19.347 7 HD22 LEU 47 HD21 LEU 47 0.565 -23.362 18.034 8 HD21 LEU 47 HD22 LEU 47 1.279 -24.268 19.370 9 HD23 LEU 47 HD23 LEU 47 2.002 -22.742 18.854 10 H LEU 47 HN LEU 47 -0.670 -23.862 22.944 11 HB3 LEU 47 HB1 LEU 47 1.769 -21.821 21.262 No H/Q in entry = 11 In of MODEL 3 1 HA LYS 48 HA LYS 48 4.175 -24.201 24.811 2 HB2 LYS 48 HB2 LYS 48 3.939 -26.579 24.335 3 HG2 LYS 48 HG2 LYS 48 6.925 -26.041 24.371 4 HD2 LYS 48 HD2 LYS 48 7.042 -28.114 25.716 5 HE2 LYS 48 HE2 LYS 48 5.655 -28.463 23.031 6 HZ2 LYS 48 HZ1 LYS 48 5.459 -30.468 24.308 7 HZ1 LYS 48 HZ2 LYS 48 7.111 -30.457 24.663 8 HZ3 LYS 48 HZ3 LYS 48 6.591 -30.679 23.070 9 H LYS 48 HN LYS 48 3.471 -24.851 22.017 10 HB3 LYS 48 HB1 LYS 48 5.003 -26.453 22.937 11 HG3 LYS 48 HG1 LYS 48 5.892 -25.948 25.795 12 HD3 LYS 48 HD1 LYS 48 5.297 -28.334 25.536 13 HE3 LYS 48 HE1 LYS 48 7.396 -28.445 23.340 No H/Q in entry = 13 In of MODEL 3 1 HA PHE 49 HA PHE 49 7.946 -22.373 23.373 2 HB2 PHE 49 HB2 PHE 49 5.885 -20.122 23.384 3 HD1 PHE 49 HD1 PHE 49 8.629 -20.421 20.975 4 HD2 PHE 49 HD2 PHE 49 4.523 -21.366 21.669 5 HE1 PHE 49 HE1 PHE 49 8.342 -20.847 18.581 6 HE2 PHE 49 HE2 PHE 49 4.230 -21.808 19.258 7 HZ PHE 49 HZ PHE 49 6.135 -21.548 17.712 8 H PHE 49 HN PHE 49 5.372 -22.396 24.810 9 HB3 PHE 49 HB1 PHE 49 7.590 -19.821 23.088 No H/Q in entry = 9 In of MODEL 3 1 HA ARG 50 HA ARG 50 9.240 -21.615 27.488 2 HB2 ARG 50 HB2 ARG 50 11.693 -21.072 25.766 3 HG2 ARG 50 HG2 ARG 50 10.977 -23.583 27.315 4 HD2 ARG 50 HD2 ARG 50 13.298 -23.010 25.447 5 HE ARG 50 HE ARG 50 12.291 -25.491 26.390 6 HH11 ARG 50 HH11 ARG 50 15.316 -23.801 25.876 7 HH12 ARG 50 HH12 ARG 50 16.244 -25.251 25.704 8 HH21 ARG 50 HH21 ARG 50 13.515 -27.383 26.201 9 HH22 ARG 50 HH22 ARG 50 15.222 -27.291 25.907 10 H ARG 50 HN ARG 50 9.601 -21.628 24.640 11 HB3 ARG 50 HB1 ARG 50 11.740 -21.250 27.519 12 HG3 ARG 50 HG1 ARG 50 10.885 -23.410 25.557 13 HD3 ARG 50 HD1 ARG 50 13.414 -23.091 27.210 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 51 HA PRO 51 9.410 -17.131 28.517 2 HB2 PRO 51 HB2 PRO 51 11.653 -17.865 30.394 3 HG2 PRO 51 HG2 PRO 51 10.429 -19.476 31.550 4 HD2 PRO 51 HD2 PRO 51 10.902 -20.631 29.572 5 HB3 PRO 51 HB1 PRO 51 10.173 -16.947 30.718 6 HG3 PRO 51 HG1 PRO 51 8.872 -18.876 30.939 7 HD3 PRO 51 HD1 PRO 51 9.124 -20.701 29.523 No H/Q in entry = 7 In of MODEL 3 1 HA ASP 52 HA ASP 52 14.174 -16.710 27.627 2 HB2 ASP 52 HB2 ASP 52 14.697 -19.693 27.243 3 H ASP 52 HN ASP 52 12.480 -18.865 28.372 4 HB3 ASP 52 HB1 ASP 52 15.897 -18.418 27.448 No H/Q in entry = 4 In of MODEL 3 1 HA ASP 53 HA ASP 53 13.197 -18.282 23.243 2 HB2 ASP 53 HB2 ASP 53 11.869 -20.264 23.886 3 H ASP 53 HN ASP 53 11.921 -18.439 25.856 4 HB3 ASP 53 HB1 ASP 53 10.462 -19.266 24.195 No H/Q in entry = 4 In of MODEL 3 1 HA LEU 54 HA LEU 54 9.634 -15.220 22.785 2 HB2 LEU 54 HB2 LEU 54 8.450 -15.562 25.560 3 HG LEU 54 HG LEU 54 8.362 -17.677 24.211 4 HD13 LEU 54 HD11 LEU 54 5.970 -18.078 24.462 5 HD12 LEU 54 HD12 LEU 54 5.668 -16.347 24.623 6 HD11 LEU 54 HD13 LEU 54 6.613 -17.200 25.848 7 HD23 LEU 54 HD21 LEU 54 6.767 -16.018 22.220 8 HD22 LEU 54 HD22 LEU 54 6.979 -17.770 22.171 9 HD21 LEU 54 HD23 LEU 54 8.375 -16.711 21.949 10 H LEU 54 HN LEU 54 10.559 -16.762 25.111 11 HB3 LEU 54 HB1 LEU 54 7.676 -14.705 24.230 No H/Q in entry = 11 In of MODEL 3 1 HA GLN 55 HA GLN 55 11.266 -11.381 24.048 2 HB2 GLN 55 HB2 GLN 55 10.414 -10.896 21.793 3 HG2 GLN 55 HG2 GLN 55 9.663 -8.656 23.695 4 HE21 GLN 55 HE21 GLN 55 11.553 -8.441 20.782 5 HE22 GLN 55 HE22 GLN 55 10.449 -7.457 19.892 6 H GLN 55 HN GLN 55 9.266 -13.006 22.815 7 HB3 GLN 55 HB1 GLN 55 8.798 -10.619 22.434 8 HG3 GLN 55 HG1 GLN 55 11.255 -8.914 22.982 No H/Q in entry = 8 In of MODEL 3 1 HA ALA 56 HA ALA 56 7.307 -9.875 26.516 2 HB2 ALA 56 HB1 ALA 56 5.513 -11.340 25.638 3 HB3 ALA 56 HB2 ALA 56 5.456 -11.287 27.403 4 HB1 ALA 56 HB3 ALA 56 6.135 -12.695 26.572 5 H ALA 56 HN ALA 56 7.838 -11.957 24.704 No H/Q in entry = 5 In of MODEL 3 1 HA THR 57 HA THR 57 9.051 -12.684 29.847 2 HB THR 57 HB THR 57 8.820 -15.211 29.767 3 HG1 THR 57 HG1 THR 57 9.456 -15.269 27.441 4 HG23 THR 57 HG21 THR 57 6.418 -15.223 29.298 5 HG22 THR 57 HG22 THR 57 6.559 -13.663 28.489 6 HG21 THR 57 HG23 THR 57 6.869 -13.795 30.218 7 H THR 57 HN THR 57 9.097 -12.846 26.890 No H/Q in entry = 7 In of MODEL 3 1 HA TYR 58 HA TYR 58 13.024 -14.308 27.681 2 HB2 TYR 58 HB2 TYR 58 12.995 -12.348 26.045 3 HD1 TYR 58 HD1 TYR 58 14.243 -14.853 25.838 4 HD2 TYR 58 HD2 TYR 58 16.127 -11.148 26.870 5 HE1 TYR 58 HE1 TYR 58 16.391 -15.706 25.000 6 HE2 TYR 58 HE2 TYR 58 18.267 -12.016 26.031 7 HH TYR 58 HH TYR 58 18.506 -14.878 24.166 8 H TYR 58 HN TYR 58 11.237 -12.110 27.714 9 HB3 TYR 58 HB1 TYR 58 13.798 -11.391 27.293 No H/Q in entry = 9 In of MODEL 3 1 HA3 GLY 59 HA2 GLY 59 14.738 -15.441 31.544 2 H GLY 59 HN GLY 59 13.601 -15.138 29.581 3 HA2 GLY 59 HA1 GLY 59 15.435 -13.843 31.357 No H/Q in entry = 3 In of MODEL 3 1 HA ALA 60 HA ALA 60 11.630 -12.859 33.874 2 HB3 ALA 60 HB1 ALA 60 9.215 -13.010 33.396 3 HB1 ALA 60 HB2 ALA 60 9.531 -14.161 32.094 4 HB2 ALA 60 HB3 ALA 60 10.107 -12.498 31.962 5 H ALA 60 HN ALA 60 11.959 -14.525 31.490 No H/Q in entry = 5 In of MODEL 3 1 HA THR 61 HA THR 61 11.270 -16.316 36.497 2 HB THR 61 HB THR 61 10.538 -15.570 38.812 3 HG1 THR 61 HG1 THR 61 9.982 -13.398 39.085 4 HG22 THR 61 HG21 THR 61 12.484 -13.670 37.447 5 HG21 THR 61 HG22 THR 61 12.897 -15.255 38.106 6 HG23 THR 61 HG23 THR 61 12.360 -13.965 39.182 7 H THR 61 HN THR 61 10.513 -13.610 35.758 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 62 HA PRO 62 7.372 -18.411 35.946 2 HB2 PRO 62 HB2 PRO 62 7.235 -19.891 38.348 3 HG2 PRO 62 HG2 PRO 62 9.099 -18.933 39.389 4 HD2 PRO 62 HD2 PRO 62 10.740 -17.768 38.190 5 HB3 PRO 62 HB1 PRO 62 8.148 -20.355 36.912 6 HG3 PRO 62 HG1 PRO 62 9.871 -20.260 38.493 7 HD3 PRO 62 HD1 PRO 62 10.598 -18.829 36.766 No H/Q in entry = 7 In of MODEL 3 1 HA GLU 63 HA GLU 63 5.147 -16.665 39.929 2 HB2 GLU 63 HB2 GLU 63 5.874 -14.841 41.403 3 HG2 GLU 63 HG2 GLU 63 8.346 -14.678 39.651 4 H GLU 63 HN GLU 63 7.808 -16.628 38.946 5 HB3 GLU 63 HB1 GLU 63 7.119 -16.087 41.318 6 HG3 GLU 63 HG1 GLU 63 7.136 -13.415 39.875 No H/Q in entry = 6 In of MODEL 3 1 HA GLN 64 HA GLN 64 4.712 -12.620 37.371 2 HB2 GLN 64 HB2 GLN 64 6.998 -13.218 35.453 3 HG2 GLN 64 HG2 GLN 64 6.956 -11.332 37.822 4 HE21 GLN 64 HE21 GLN 64 7.589 -9.474 36.711 5 HE22 GLN 64 HE22 GLN 64 9.127 -9.322 35.942 6 H GLN 64 HN GLN 64 6.764 -14.656 37.547 7 HB3 GLN 64 HB1 GLN 64 6.063 -11.722 35.539 8 HG3 GLN 64 HG1 GLN 64 7.922 -12.801 37.673 No H/Q in entry = 8 In of MODEL 3 1 HA LEU 65 HA LEU 65 3.544 -15.384 33.639 2 HB2 LEU 65 HB2 LEU 65 5.231 -17.799 34.494 3 HG LEU 65 HG LEU 65 6.839 -15.977 34.261 4 HD11 LEU 65 HD11 LEU 65 7.508 -18.141 33.356 5 HD13 LEU 65 HD12 LEU 65 8.235 -16.818 32.450 6 HD12 LEU 65 HD13 LEU 65 6.864 -17.701 31.771 7 HD23 LEU 65 HD21 LEU 65 7.019 -14.629 32.204 8 HD22 LEU 65 HD22 LEU 65 5.492 -14.362 33.037 9 HD21 LEU 65 HD23 LEU 65 5.538 -15.368 31.585 10 H LEU 65 HN LEU 65 5.293 -15.708 36.036 11 HB3 LEU 65 HB1 LEU 65 4.554 -17.461 32.903 No H/Q in entry = 11 In of MODEL 3 1 HA ARG 66 HA ARG 66 0.705 -17.661 36.416 2 HB2 ARG 66 HB2 ARG 66 1.369 -15.824 38.767 3 HG2 ARG 66 HG2 ARG 66 2.085 -18.761 38.536 4 HD2 ARG 66 HD2 ARG 66 1.460 -18.093 40.828 5 HE ARG 66 HE ARG 66 3.072 -15.747 40.269 6 HH11 ARG 66 HH11 ARG 66 1.596 -17.637 42.840 7 HH12 ARG 66 HH12 ARG 66 1.694 -16.329 43.977 8 HH21 ARG 66 HH21 ARG 66 3.188 -14.084 41.750 9 HH22 ARG 66 HH22 ARG 66 2.595 -14.324 43.363 10 H ARG 66 HN ARG 66 2.929 -15.749 36.729 11 HB3 ARG 66 HB1 ARG 66 0.226 -17.170 38.765 12 HG3 ARG 66 HG1 ARG 66 3.238 -17.425 38.449 13 HD3 ARG 66 HD1 ARG 66 3.201 -18.384 40.708 No H/Q in entry = 13 In of MODEL 3 1 HA GLU 67 HA GLU 67 -1.203 -13.302 36.845 2 HB2 GLU 67 HB2 GLU 67 1.449 -11.797 36.855 3 HG2 GLU 67 HG2 GLU 67 -0.265 -12.532 39.249 4 H GLU 67 HN GLU 67 1.526 -14.275 36.746 5 HB3 GLU 67 HB1 GLU 67 -0.128 -11.123 37.260 6 HG3 GLU 67 HG1 GLU 67 1.245 -13.335 38.820 No H/Q in entry = 6 In of MODEL 3 1 HA ILE 68 HA ILE 68 -0.828 -12.590 32.449 2 HB ILE 68 HB ILE 68 -1.704 -15.493 32.879 3 HD11 ILE 68 HD11 ILE 68 0.538 -16.714 31.130 4 HD13 ILE 68 HD12 ILE 68 0.299 -17.206 32.816 5 HD12 ILE 68 HD13 ILE 68 1.868 -16.612 32.279 6 H ILE 68 HN ILE 68 -1.979 -13.821 34.872 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 69 HA GLU 69 -5.186 -12.634 31.190 2 HB2 GLU 69 HB2 GLU 69 -4.973 -10.428 32.273 3 HG2 GLU 69 HG2 GLU 69 -6.048 -9.963 29.478 4 H GLU 69 HN GLU 69 -2.337 -11.911 30.949 5 HB3 GLU 69 HB1 GLU 69 -4.066 -9.793 30.904 6 HG3 GLU 69 HG1 GLU 69 -6.963 -10.700 30.794 No H/Q in entry = 6 In of MODEL 3 1 HA ILE 70 HA ILE 70 -4.629 -13.138 26.799 2 HB ILE 70 HB ILE 70 -7.635 -12.568 26.910 3 HD11 ILE 70 HD11 ILE 70 -5.705 -15.734 25.928 4 HD13 ILE 70 HD12 ILE 70 -6.061 -16.523 27.463 5 HD12 ILE 70 HD13 ILE 70 -4.926 -15.176 27.413 6 H ILE 70 HN ILE 70 -6.279 -12.613 29.085 No H/Q in entry = 6 In of MODEL 3 1 HA SER 71 HA SER 71 -3.528 -9.303 25.185 2 HB2 SER 71 HB2 SER 71 -3.479 -9.149 22.681 3 HG SER 71 HG SER 71 -4.879 -11.626 22.747 4 H SER 71 HN SER 71 -4.485 -11.874 24.820 5 HB3 SER 71 HB1 SER 71 -2.885 -10.703 23.274 No H/Q in entry = 5 In of MODEL 3 1 HA PRO 72 HA PRO 72 -7.060 -6.470 24.897 2 HB2 PRO 72 HB2 PRO 72 -5.936 -4.307 23.650 3 HG2 PRO 72 HG2 PRO 72 -4.040 -5.458 22.774 4 HD2 PRO 72 HD2 PRO 72 -3.141 -7.337 23.863 5 HB3 PRO 72 HB1 PRO 72 -5.528 -4.758 25.319 6 HG3 PRO 72 HG1 PRO 72 -3.407 -4.709 24.260 7 HD3 PRO 72 HD1 PRO 72 -3.546 -6.722 25.485 No H/Q in entry = 7 In of MODEL 3 1 HA SER 73 HA SER 73 -7.416 -6.904 20.151 2 HB2 SER 73 HB2 SER 73 -5.152 -8.932 19.867 3 HG SER 73 HG SER 73 -5.147 -6.141 19.819 4 H SER 73 HN SER 73 -5.406 -7.683 22.103 5 HB3 SER 73 HB1 SER 73 -6.049 -8.148 18.562 No H/Q in entry = 5 In of MODEL 3 1 HA3 GLY 74 HA2 GLY 74 -8.157 -11.322 22.928 2 H GLY 74 HN GLY 74 -6.719 -9.589 22.281 3 HA2 GLY 74 HA1 GLY 74 -9.148 -11.050 21.508 No H/Q in entry = 3 In of MODEL 3 1 HA LEU 75 HA LEU 75 -6.265 -13.656 19.130 2 HB2 LEU 75 HB2 LEU 75 -4.317 -11.342 18.897 3 HG LEU 75 HG LEU 75 -6.409 -11.251 17.476 4 HD12 LEU 75 HD11 LEU 75 -3.799 -11.521 15.941 5 HD11 LEU 75 HD12 LEU 75 -4.378 -10.071 16.764 6 HD13 LEU 75 HD13 LEU 75 -5.256 -10.698 15.370 7 HD21 LEU 75 HD21 LEU 75 -6.712 -13.671 17.129 8 HD23 LEU 75 HD22 LEU 75 -5.229 -13.739 16.170 9 HD22 LEU 75 HD23 LEU 75 -6.622 -12.824 15.585 10 H LEU 75 HN LEU 75 -6.237 -11.004 20.178 11 HB3 LEU 75 HB1 LEU 75 -3.947 -12.904 18.181 No H/Q in entry = 11 In of MODEL 3 1 HA3 GLY 76 HA2 GLY 76 -2.551 -14.727 21.627 2 H GLY 76 HN GLY 76 -3.476 -12.070 20.756 3 HA2 GLY 76 HA1 GLY 76 -1.594 -13.253 21.521 No H/Q in entry = 3 In of MODEL 3 1 HA VAL 77 HA VAL 77 -2.765 -12.725 25.742 2 HB VAL 77 HB VAL 77 -1.019 -14.756 25.523 3 H VAL 77 HN VAL 77 -0.949 -12.635 23.434 No H/Q in entry = 3 In of MODEL 3 1 HA TYR 78 HA TYR 78 0.197 -9.480 27.003 2 HB2 TYR 78 HB2 TYR 78 -1.927 -8.305 26.389 3 HD1 TYR 78 HD1 TYR 78 -2.166 -7.337 29.889 4 HD2 TYR 78 HD2 TYR 78 0.110 -6.743 26.315 5 HE1 TYR 78 HE1 TYR 78 -1.173 -5.318 30.862 6 HE2 TYR 78 HE2 TYR 78 1.100 -4.716 27.284 7 HH TYR 78 HH TYR 78 0.864 -3.933 30.579 8 H TYR 78 HN TYR 78 -1.871 -11.449 27.545 9 HB3 TYR 78 HB1 TYR 78 -2.611 -8.717 27.961 No H/Q in entry = 9 In of MODEL 3 1 HA PHE 79 HA PHE 79 0.670 -10.852 31.232 2 HB2 PHE 79 HB2 PHE 79 3.516 -10.480 30.186 3 HD1 PHE 79 HD1 PHE 79 0.662 -12.709 30.323 4 HD2 PHE 79 HD2 PHE 79 4.701 -12.528 29.566 5 HE1 PHE 79 HE1 PHE 79 0.581 -14.886 29.218 6 HE2 PHE 79 HE2 PHE 79 4.591 -14.711 28.470 7 HZ PHE 79 HZ PHE 79 2.536 -15.901 28.299 8 H PHE 79 HN PHE 79 1.586 -9.931 28.606 9 HB3 PHE 79 HB1 PHE 79 3.068 -11.228 31.717 No H/Q in entry = 9 In of MODEL 3 1 HA GLU 80 HA GLU 80 0.511 -6.600 32.289 2 HB2 GLU 80 HB2 GLU 80 -1.557 -7.415 33.300 3 HG2 GLU 80 HG2 GLU 80 0.032 -5.880 35.386 4 H GLU 80 HN GLU 80 0.179 -9.415 32.699 5 HB3 GLU 80 HB1 GLU 80 -0.671 -8.147 34.635 6 HG3 GLU 80 HG1 GLU 80 -0.897 -5.173 34.070 No H/Q in entry = 6 In of MODEL 3 1 HA THR 81 HA THR 81 3.267 -7.142 36.278 2 HB THR 81 HB THR 81 3.858 -10.064 35.636 3 HG1 THR 81 HG1 THR 81 2.615 -9.789 37.936 4 HG22 THR 81 HG21 THR 81 4.835 -10.156 37.914 5 HG21 THR 81 HG22 THR 81 4.620 -8.414 38.084 6 HG23 THR 81 HG23 THR 81 5.740 -9.047 36.876 7 H THR 81 HN THR 81 1.824 -8.912 34.643 No H/Q in entry = 7 In of MODEL 3 1 HA LEU 82 HA LEU 82 6.815 -7.531 33.175 2 HB2 LEU 82 HB2 LEU 82 5.342 -8.831 30.843 3 HG LEU 82 HG LEU 82 5.101 -10.479 32.630 4 HD13 LEU 82 HD11 LEU 82 6.255 -12.359 31.661 5 HD12 LEU 82 HD12 LEU 82 7.407 -11.300 30.845 6 HD11 LEU 82 HD13 LEU 82 5.707 -11.288 30.374 7 HD23 LEU 82 HD21 LEU 82 7.001 -11.404 33.820 8 HD22 LEU 82 HD22 LEU 82 6.791 -9.698 34.177 9 HD21 LEU 82 HD23 LEU 82 8.080 -10.217 33.084 10 H LEU 82 HN LEU 82 4.034 -8.501 33.142 11 HB3 LEU 82 HB1 LEU 82 7.080 -8.734 31.107 No H/Q in entry = 11 In of MODEL 3 1 HA GLU 83 HA GLU 83 2.691 -5.031 30.911 2 HB2 GLU 83 HB2 GLU 83 5.311 -3.498 31.259 3 HG2 GLU 83 HG2 GLU 83 2.705 -3.336 32.813 4 H GLU 83 HN GLU 83 3.687 -6.483 32.307 5 HB3 GLU 83 HB1 GLU 83 3.804 -2.800 30.654 6 HG3 GLU 83 HG1 GLU 83 4.220 -3.996 33.424 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 84 HA GLU 84 4.749 -6.300 27.021 2 HB2 GLU 84 HB2 GLU 84 5.669 -8.789 28.555 3 HG2 GLU 84 HG2 GLU 84 6.971 -6.826 29.229 4 H GLU 84 HN GLU 84 4.009 -7.214 29.747 5 HB3 GLU 84 HB1 GLU 84 6.032 -8.470 26.859 6 HG3 GLU 84 HG1 GLU 84 7.942 -7.966 28.296 No H/Q in entry = 6 In of MODEL 3 1 HA ASP 85 HA ASP 85 1.936 -9.813 26.023 2 HB2 ASP 85 HB2 ASP 85 0.815 -8.996 24.003 3 H ASP 85 HN ASP 85 4.419 -8.348 25.488 4 HB3 ASP 85 HB1 ASP 85 1.237 -7.614 25.003 No H/Q in entry = 4 In of MODEL 3 1 HA VAL 86 HA VAL 86 3.880 -12.223 22.724 2 HB VAL 86 HB VAL 86 2.140 -14.310 24.175 3 H VAL 86 HN VAL 86 1.605 -11.571 24.524 No H/Q in entry = 3 In of MODEL 3 1 HA SER 87 HA SER 87 0.458 -11.894 19.871 2 HB2 SER 87 HB2 SER 87 2.186 -10.663 18.630 3 HG SER 87 HG SER 87 1.217 -10.994 16.792 4 H SER 87 HN SER 87 3.152 -11.885 20.716 5 HB3 SER 87 HB1 SER 87 3.010 -12.168 18.224 No H/Q in entry = 5 In of MODEL 3 1 HA LEU 88 HA LEU 88 -0.158 -16.284 19.649 2 HB2 LEU 88 HB2 LEU 88 -2.496 -15.209 19.906 3 HG LEU 88 HG LEU 88 -2.267 -17.770 18.295 4 HD12 LEU 88 HD11 LEU 88 -2.540 -17.308 21.290 5 HD11 LEU 88 HD12 LEU 88 -1.079 -17.839 20.447 6 HD13 LEU 88 HD13 LEU 88 -2.497 -18.872 20.481 7 HD22 LEU 88 HD21 LEU 88 -4.550 -18.274 19.027 8 HD21 LEU 88 HD22 LEU 88 -4.522 -16.799 18.068 9 HD23 LEU 88 HD23 LEU 88 -4.666 -16.707 19.825 10 H LEU 88 HN LEU 88 -0.872 -13.562 19.464 11 HB3 LEU 88 HB1 LEU 88 -2.608 -15.271 18.159 No H/Q in entry = 11 In of MODEL 3 1 HA ILE 89 HA ILE 89 -0.499 -15.962 14.814 2 HB ILE 89 HB ILE 89 0.152 -12.974 14.777 3 HD11 ILE 89 HD11 ILE 89 -2.871 -14.903 13.424 4 HD13 ILE 89 HD12 ILE 89 -3.934 -14.286 14.686 5 HD12 ILE 89 HD13 ILE 89 -2.701 -15.482 15.087 6 H ILE 89 HN ILE 89 -0.720 -14.143 16.963 No H/Q in entry = 6 In of MODEL 3 1 HA3 GLY 90 HA2 GLY 90 4.180 -14.459 15.231 2 H GLY 90 HN GLY 90 1.789 -13.919 16.559 3 HA2 GLY 90 HA1 GLY 90 4.026 -14.072 16.937 No H/Q in entry = 3 In of MODEL 3 1 HA LEU 91 HA LEU 91 4.553 -18.324 18.117 2 HB2 LEU 91 HB2 LEU 91 1.558 -18.504 18.603 3 HG LEU 91 HG LEU 91 2.576 -16.730 20.008 4 HD11 LEU 91 HD11 LEU 91 0.710 -17.999 20.913 5 HD13 LEU 91 HD12 LEU 91 1.833 -17.562 22.199 6 HD12 LEU 91 HD13 LEU 91 1.811 -19.214 21.571 7 HD23 LEU 91 HD21 LEU 91 4.283 -17.295 21.705 8 HD22 LEU 91 HD22 LEU 91 4.890 -17.500 20.069 9 HD21 LEU 91 HD23 LEU 91 4.432 -18.912 21.020 10 H LEU 91 HN LEU 91 2.510 -16.361 17.756 11 HB3 LEU 91 HB1 LEU 91 2.739 -19.666 19.199 No H/Q in entry = 11 In of MODEL 3 1 HA LEU 92 HA LEU 92 2.052 -20.625 14.718 2 HB2 LEU 92 HB2 LEU 92 0.492 -18.161 13.854 3 HG LEU 92 HG LEU 92 -0.257 -19.030 16.102 4 HD13 LEU 92 HD11 LEU 92 -2.651 -19.132 15.566 5 HD12 LEU 92 HD12 LEU 92 -2.273 -19.372 13.859 6 HD11 LEU 92 HD13 LEU 92 -1.835 -17.859 14.657 7 HD21 LEU 92 HD21 LEU 92 0.326 -21.401 15.825 8 HD23 LEU 92 HD22 LEU 92 -0.914 -21.586 14.584 9 HD22 LEU 92 HD23 LEU 92 -1.378 -21.226 16.249 10 H LEU 92 HN LEU 92 1.837 -17.997 15.912 11 HB3 LEU 92 HB1 LEU 92 0.279 -19.777 13.190 No H/Q in entry = 11 In of MODEL 3 1 HA GLU 93 HA GLU 93 4.590 -18.231 11.535 2 HB2 GLU 93 HB2 GLU 93 4.923 -15.757 13.295 3 HG2 GLU 93 HG2 GLU 93 2.658 -15.934 12.315 4 H GLU 93 HN GLU 93 3.635 -17.606 14.260 5 HB3 GLU 93 HB1 GLU 93 5.632 -15.926 11.691 6 HG3 GLU 93 HG1 GLU 93 3.573 -14.561 11.693 No H/Q in entry = 6 In of MODEL 3 1 HA3 GLY 94 HA2 GLY 94 7.587 -19.240 15.780 2 H GLY 94 HN GLY 94 5.572 -18.584 14.811 3 HA2 GLY 94 HA1 GLY 94 8.364 -19.186 14.202 No H/Q in entry = 3 In of MODEL 3 1 HA ARG 95 HA ARG 95 8.874 -14.640 15.141 2 HB2 ARG 95 HB2 ARG 95 6.886 -14.257 13.525 3 HG2 ARG 95 HG2 ARG 95 6.559 -11.821 14.022 4 HD2 ARG 95 HD2 ARG 95 8.850 -11.146 13.586 5 HE ARG 95 HE ARG 95 7.677 -13.134 12.037 6 HH11 ARG 95 HH11 ARG 95 10.930 -11.917 12.591 7 HH12 ARG 95 HH12 ARG 95 11.513 -12.460 11.053 8 HH21 ARG 95 HH21 ARG 95 8.472 -13.839 10.051 9 HH22 ARG 95 HH22 ARG 95 10.127 -13.550 9.617 10 H ARG 95 HN ARG 95 6.633 -16.401 14.676 11 HB3 ARG 95 HB1 ARG 95 5.914 -13.921 14.943 12 HG3 ARG 95 HG1 ARG 95 7.515 -12.039 15.492 13 HD3 ARG 95 HD1 ARG 95 9.462 -12.683 14.197 No H/Q in entry = 13 In of MODEL 3 1 HA ARG 96 HA ARG 96 7.542 -15.575 19.515 2 HB2 ARG 96 HB2 ARG 96 9.682 -16.160 20.758 3 HG2 ARG 96 HG2 ARG 96 10.885 -15.940 17.985 4 HD2 ARG 96 HD2 ARG 96 12.854 -17.057 18.753 5 HE ARG 96 HE ARG 96 10.679 -18.779 19.741 6 HH11 ARG 96 HH11 ARG 96 12.977 -18.129 17.185 7 HH12 ARG 96 HH12 ARG 96 12.800 -19.698 16.477 8 HH21 ARG 96 HH21 ARG 96 10.488 -20.789 18.869 9 HH22 ARG 96 HH22 ARG 96 11.362 -21.221 17.437 10 H ARG 96 HN ARG 96 9.204 -15.793 17.244 11 HB3 ARG 96 HB1 ARG 96 9.262 -17.251 19.440 12 HG3 ARG 96 HG1 ARG 96 11.398 -15.108 19.453 13 HD3 ARG 96 HD1 ARG 96 12.248 -17.132 20.401 No H/Q in entry = 13 In of MODEL 3 1 HA3 GLY 97 HA2 GLY 97 8.715 -11.152 19.616 2 H GLY 97 HN GLY 97 9.775 -13.373 18.074 3 HA2 GLY 97 HA1 GLY 97 10.453 -11.426 19.795 No H/Q in entry = 3 In of MODEL 3 1 HA SER 98 HA SER 98 9.932 -8.783 16.049 2 HB2 SER 98 HB2 SER 98 12.100 -7.476 17.761 3 HG SER 98 HG SER 98 9.649 -6.244 17.372 4 H SER 98 HN SER 98 10.431 -9.197 18.795 5 HB3 SER 98 HB1 SER 98 11.383 -6.816 16.289 No H/Q in entry = 5 In of MODEL 3 1 HA ALA 99 HA ALA 99 13.056 -11.135 14.029 2 HB3 ALA 99 HB1 ALA 99 12.972 -8.713 12.195 3 HB1 ALA 99 HB2 ALA 99 11.919 -10.127 12.085 4 HB2 ALA 99 HB3 ALA 99 13.652 -10.289 11.787 5 H ALA 99 HN ALA 99 11.425 -8.825 14.239 No H/Q in entry = 5 In of MODEL 3 1 HA LYS 100 HA LYS 100 16.674 -7.876 14.486 2 HB2 LYS 100 HB2 LYS 100 16.619 -5.701 15.692 3 HG2 LYS 100 HG2 LYS 100 13.594 -5.763 15.527 4 HD2 LYS 100 HD2 LYS 100 14.693 -3.517 15.547 5 HE2 LYS 100 HE2 LYS 100 15.729 -4.410 18.263 6 HZ2 LYS 100 HZ1 LYS 100 14.907 -2.148 18.374 7 HZ1 LYS 100 HZ2 LYS 100 15.825 -1.718 17.020 8 HZ3 LYS 100 HZ3 LYS 100 16.598 -2.177 18.450 9 H LYS 100 HN LYS 100 13.883 -7.687 14.330 10 HB3 LYS 100 HB1 LYS 100 15.608 -5.694 14.254 11 HG3 LYS 100 HG1 LYS 100 14.445 -6.178 17.014 12 HD3 LYS 100 HD1 LYS 100 13.666 -3.802 16.955 13 HE3 LYS 100 HE1 LYS 100 16.702 -3.967 16.857 No H/Q in entry = 13 In of MODEL 3 1 HA TRP 101 HA TRP 101 15.899 -8.351 19.269 2 HB2 TRP 101 HB2 TRP 101 13.512 -7.874 19.562 3 HD1 TRP 101 HD1 TRP 101 14.425 -7.890 22.100 4 HE1 TRP 101 HE1 TRP 101 14.310 -9.649 23.965 5 HE3 TRP 101 HE3 TRP 101 12.970 -11.944 19.345 6 HZ2 TRP 101 HZ2 TRP 101 13.692 -12.361 24.246 7 HZ3 TRP 101 HZ3 TRP 101 12.641 -14.094 20.491 8 HH2 TRP 101 HH2 TRP 101 12.997 -14.295 22.905 9 H TRP 101 HN TRP 101 14.202 -8.160 17.025 10 HB3 TRP 101 HB1 TRP 101 13.064 -9.420 18.856 No H/Q in entry = 10 In of MODEL 3 1 HA MET 102 HA MET 102 15.605 -13.068 18.534 2 HB2 MET 102 HB2 MET 102 14.571 -12.828 15.692 3 HG2 MET 102 HG2 MET 102 13.409 -14.155 18.156 4 HE2 MET 102 HE1 MET 102 12.878 -13.292 14.296 5 HE1 MET 102 HE2 MET 102 11.512 -12.563 15.143 6 HE3 MET 102 HE3 MET 102 11.256 -13.947 14.081 7 H MET 102 HN MET 102 14.660 -10.820 17.032 8 HB3 MET 102 HB1 MET 102 15.119 -14.359 16.367 9 HG3 MET 102 HG1 MET 102 12.826 -12.668 17.409 No H/Q in entry = 9 In of MODEL 3 1 HA ALA 103 HA ALA 103 19.378 -12.596 15.660 2 HB3 ALA 103 HB1 ALA 103 20.338 -10.542 14.669 3 HB1 ALA 103 HB2 ALA 103 19.012 -9.593 15.351 4 HB2 ALA 103 HB3 ALA 103 18.684 -10.809 14.114 5 H ALA 103 HN ALA 103 17.114 -10.890 16.283 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 104 HA GLU 104 21.287 -9.908 19.095 2 HB2 GLU 104 HB2 GLU 104 18.754 -8.496 20.029 3 HG2 GLU 104 HG2 GLU 104 20.733 -7.506 17.968 4 H GLU 104 HN GLU 104 18.539 -10.177 18.072 5 HB3 GLU 104 HB1 GLU 104 20.421 -8.019 20.359 6 HG3 GLU 104 HG1 GLU 104 19.090 -8.014 17.638 No H/Q in entry = 6 In of MODEL 3 1 HA HIS 105 HA HIS 105 19.195 -12.397 22.513 2 HB2 HIS 105 HB2 HIS 105 16.474 -11.021 22.237 3 HD1 HIS 105 HD1 HIS 105 19.293 -10.178 24.625 4 HD2 HIS 105 HD2 HIS 105 16.948 -8.404 21.689 5 HE1 HIS 105 HE1 HIS 105 19.841 -7.732 24.710 6 HE2 HIS 105 HE2 HIS 105 18.247 -6.663 23.088 7 H HIS 105 HN HIS 105 18.294 -11.434 19.902 8 HB3 HIS 105 HB1 HIS 105 17.208 -11.629 23.710 No H/Q in entry = 8 In of MODEL 3 1 HA PRO 106 HA PRO 106 16.520 -15.445 20.078 2 HB2 PRO 106 HB2 PRO 106 18.335 -17.298 19.332 3 HG2 PRO 106 HG2 PRO 106 20.204 -16.514 20.529 4 HD2 PRO 106 HD2 PRO 106 20.288 -14.329 21.328 5 HB3 PRO 106 HB1 PRO 106 18.159 -15.786 18.428 6 HG3 PRO 106 HG1 PRO 106 20.460 -15.737 18.951 7 HD3 PRO 106 HD1 PRO 106 19.858 -13.639 19.750 No H/Q in entry = 7 In of MODEL 3 1 HA LEU 107 HA LEU 107 16.590 -18.545 23.345 2 HB2 LEU 107 HB2 LEU 107 14.539 -19.278 22.147 3 HG LEU 107 HG LEU 107 16.315 -21.668 22.809 4 HD13 LEU 107 HD11 LEU 107 15.116 -21.751 24.949 5 HD12 LEU 107 HD12 LEU 107 14.211 -20.300 24.516 6 HD11 LEU 107 HD13 LEU 107 15.959 -20.213 24.751 7 HD23 LEU 107 HD21 LEU 107 13.310 -21.621 22.386 8 HD22 LEU 107 HD22 LEU 107 14.261 -23.004 22.936 9 HD21 LEU 107 HD23 LEU 107 14.503 -22.360 21.314 10 H LEU 107 HN LEU 107 16.127 -17.765 20.605 11 HB3 LEU 107 HB1 LEU 107 15.520 -20.137 20.970 No H/Q in entry = 11 In of MODEL 3 1 HA ALA 108 HA ALA 108 20.539 -20.397 22.466 2 HB3 ALA 108 HB1 ALA 108 21.509 -21.335 24.526 3 HB1 ALA 108 HB2 ALA 108 19.932 -21.255 25.317 4 HB2 ALA 108 HB3 ALA 108 20.757 -19.770 24.843 5 H ALA 108 HN ALA 108 18.235 -19.846 24.103 No H/Q in entry = 5 In of MODEL 3 1 HA SER 109 HA SER 109 19.450 -24.557 21.338 2 HB2 SER 109 HB2 SER 109 17.171 -23.910 22.088 3 HG SER 109 HG SER 109 16.629 -25.012 19.592 4 H SER 109 HN SER 109 19.491 -21.714 20.845 5 HB3 SER 109 HB1 SER 109 16.870 -23.114 20.548 No H/Q in entry = 5 In of MODEL 4 1 H1 MET 1 HT2 MET 1 0.274 -6.554 -0.731 2 H2 MET 1 HT1 MET 1 0.289 -6.909 -2.383 3 H3 MET 1 HT3 MET 1 1.226 -5.640 -1.780 4 HB3 MET 1 HB1 MET 1 -2.144 -6.709 -2.670 5 HG3 MET 1 HG1 MET 1 -2.566 -5.937 0.223 6 HA MET 1 HA MET 1 -0.666 -4.743 -2.866 7 HB2 MET 1 HB2 MET 1 -2.959 -5.266 -2.086 8 HG2 MET 1 HG2 MET 1 -1.676 -7.359 -0.325 9 HE3 MET 1 HE1 MET 1 -3.247 -8.888 1.220 10 HE2 MET 1 HE2 MET 1 -5.007 -8.868 1.124 11 HE1 MET 1 HE3 MET 1 -4.147 -7.456 1.732 No H/Q in entry = 11 In of MODEL 4 1 HA GLU 2 HA GLU 2 -1.923 -1.912 0.428 2 HB2 GLU 2 HB2 GLU 2 0.001 -0.480 0.985 3 HG2 GLU 2 HG2 GLU 2 1.407 -1.667 -1.431 4 H GLU 2 HN GLU 2 -1.228 -2.715 -2.204 5 HB3 GLU 2 HB1 GLU 2 0.535 -2.150 0.821 6 HG3 GLU 2 HG1 GLU 2 0.854 0.003 -1.293 No H/Q in entry = 6 In of MODEL 4 1 HA VAL 3 HA VAL 3 -2.430 1.835 -2.063 2 HB VAL 3 HB VAL 3 -4.458 2.139 0.215 3 H VAL 3 HN VAL 3 -2.564 0.300 0.484 No H/Q in entry = 3 In of MODEL 4 1 HA SER 4 HA SER 4 0.192 2.540 2.378 2 HB2 SER 4 HB2 SER 4 1.620 4.452 1.653 3 HG SER 4 HG SER 4 0.418 4.223 -0.886 4 H SER 4 HN SER 4 -0.903 1.438 0.783 5 HB3 SER 4 HB1 SER 4 1.698 3.098 0.535 No H/Q in entry = 5 In of MODEL 4 1 HA ALA 5 HA ALA 5 -2.936 5.604 3.544 2 HB3 ALA 5 HB1 ALA 5 -4.138 5.265 1.411 3 HB2 ALA 5 HB2 ALA 5 -5.265 5.459 2.753 4 HB1 ALA 5 HB3 ALA 5 -4.955 3.853 2.088 5 H ALA 5 HN ALA 5 -2.499 2.863 2.508 No H/Q in entry = 5 In of MODEL 4 1 HA ASN 6 HA ASN 6 -4.444 3.515 7.122 2 HB2 ASN 6 HB2 ASN 6 -4.117 5.833 7.887 3 HD21 ASN 6 HD21 ASN 6 -4.882 3.304 9.106 4 HD22 ASN 6 HD22 ASN 6 -5.819 3.691 10.501 5 H ASN 6 HN ASN 6 -4.746 5.670 5.160 6 HB3 ASN 6 HB1 ASN 6 -5.718 6.279 7.310 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 7 HA GLU 7 -9.203 4.253 6.477 2 HB2 GLU 7 HB2 GLU 7 -10.430 4.772 4.277 3 HG2 GLU 7 HG2 GLU 7 -9.135 6.096 2.607 4 H GLU 7 HN GLU 7 -6.884 4.948 5.014 5 HB3 GLU 7 HB1 GLU 7 -9.459 6.050 4.979 6 HG3 GLU 7 HG1 GLU 7 -7.642 5.535 3.353 No H/Q in entry = 6 In of MODEL 4 1 HA LEU 8 HA LEU 8 -9.284 0.337 3.677 2 HB2 LEU 8 HB2 LEU 8 -7.162 -1.129 3.230 3 HG LEU 8 HG LEU 8 -5.774 1.574 3.481 4 HD11 LEU 8 HD11 LEU 8 -5.692 0.323 5.574 5 HD13 LEU 8 HD12 LEU 8 -4.095 0.420 4.832 6 HD12 LEU 8 HD13 LEU 8 -5.029 -1.078 4.733 7 HD23 LEU 8 HD21 LEU 8 -4.748 -0.943 2.133 8 HD22 LEU 8 HD22 LEU 8 -3.857 0.569 2.351 9 HD21 LEU 8 HD23 LEU 8 -5.279 0.527 1.315 10 H LEU 8 HN LEU 8 -7.337 2.317 4.263 11 HB3 LEU 8 HB1 LEU 8 -7.507 0.244 2.208 No H/Q in entry = 11 In of MODEL 4 1 HA GLU 9 HA GLU 9 -6.879 -0.084 8.409 2 HB2 GLU 9 HB2 GLU 9 -8.799 -0.651 9.775 3 HG2 GLU 9 HG2 GLU 9 -10.602 -0.625 7.353 4 H GLU 9 HN GLU 9 -7.372 0.936 6.457 5 HB3 GLU 9 HB1 GLU 9 -9.218 0.717 8.755 6 HG3 GLU 9 HG1 GLU 9 -9.989 -2.124 8.045 No H/Q in entry = 6 In of MODEL 4 1 HA ALA 10 HA ALA 10 -7.074 -4.291 6.182 2 HB3 ALA 10 HB1 ALA 10 -5.065 -4.826 4.881 3 HB2 ALA 10 HB2 ALA 10 -4.293 -3.333 5.429 4 HB1 ALA 10 HB3 ALA 10 -5.728 -3.256 4.408 5 H ALA 10 HN ALA 10 -6.023 -1.685 6.350 No H/Q in entry = 5 In of MODEL 4 1 HA ALA 11 HA ALA 11 -3.595 -5.307 9.460 2 HB3 ALA 11 HB1 ALA 11 -2.915 -3.916 11.373 3 HB1 ALA 11 HB2 ALA 11 -3.947 -2.602 10.796 4 HB2 ALA 11 HB3 ALA 11 -2.549 -3.111 9.847 5 H ALA 11 HN ALA 11 -4.593 -2.929 8.315 No H/Q in entry = 5 In of MODEL 4 1 HA SER 12 HA SER 12 -7.074 -4.761 12.779 2 HB2 SER 12 HB2 SER 12 -8.696 -2.711 11.210 3 HG SER 12 HG SER 12 -7.750 -1.205 12.474 4 H SER 12 HN SER 12 -6.245 -3.188 10.573 5 HB3 SER 12 HB1 SER 12 -9.005 -3.252 12.862 No H/Q in entry = 5 In of MODEL 4 1 HA SER 13 HA SER 13 -10.409 -6.274 9.596 2 HB2 SER 13 HB2 SER 13 -8.604 -5.697 7.201 3 HG SER 13 HG SER 13 -9.421 -3.764 7.638 4 H SER 13 HN SER 13 -8.045 -4.700 9.409 5 HB3 SER 13 HB1 SER 13 -10.228 -6.386 7.110 No H/Q in entry = 5 In of MODEL 4 1 HA ARG 14 HA ARG 14 -7.493 -9.773 8.184 2 HB2 ARG 14 HB2 ARG 14 -4.921 -8.176 8.472 3 HG2 ARG 14 HG2 ARG 14 -6.191 -7.777 6.373 4 HD2 ARG 14 HD2 ARG 14 -5.646 -10.660 5.632 5 HE ARG 14 HE ARG 14 -7.527 -8.701 4.432 6 HH11 ARG 14 HH11 ARG 14 -4.991 -11.094 3.967 7 HH12 ARG 14 HH12 ARG 14 -5.225 -11.172 2.252 8 HH21 ARG 14 HH21 ARG 14 -7.808 -8.799 2.208 9 HH22 ARG 14 HH22 ARG 14 -6.822 -9.854 1.250 10 H ARG 14 HN ARG 14 -7.029 -6.992 8.668 11 HB3 ARG 14 HB1 ARG 14 -4.935 -9.909 8.144 12 HG3 ARG 14 HG1 ARG 14 -4.632 -8.558 6.085 13 HD3 ARG 14 HD1 ARG 14 -7.186 -10.168 6.334 No H/Q in entry = 13 In of MODEL 4 1 HA MET 15 HA MET 15 -5.558 -10.106 12.589 2 HB2 MET 15 HB2 MET 15 -6.499 -7.326 13.338 3 HG2 MET 15 HG2 MET 15 -3.790 -8.647 13.638 4 HE3 MET 15 HE1 MET 15 -5.321 -7.268 16.162 5 HE2 MET 15 HE2 MET 15 -3.986 -6.315 16.811 6 HE1 MET 15 HE3 MET 15 -3.698 -7.955 16.221 7 H MET 15 HN MET 15 -6.415 -7.916 11.008 8 HB3 MET 15 HB1 MET 15 -6.051 -8.503 14.567 9 HG3 MET 15 HG1 MET 15 -4.230 -7.524 12.352 No H/Q in entry = 9 In of MODEL 4 1 HA GLU 16 HA GLU 16 -10.249 -10.192 13.921 2 HB2 GLU 16 HB2 GLU 16 -11.242 -8.177 13.039 3 HG2 GLU 16 HG2 GLU 16 -13.342 -8.814 12.012 4 H GLU 16 HN GLU 16 -8.728 -8.542 12.211 5 HB3 GLU 16 HB1 GLU 16 -10.965 -8.681 11.380 6 HG3 GLU 16 HG1 GLU 16 -12.683 -10.373 11.529 No H/Q in entry = 6 In of MODEL 4 1 HA MET 17 HA MET 17 -10.701 -12.995 9.992 2 HB2 MET 17 HB2 MET 17 -8.268 -11.789 8.616 3 HG2 MET 17 HG2 MET 17 -10.320 -10.496 8.255 4 HE3 MET 17 HE1 MET 17 -12.392 -14.298 6.587 5 HE2 MET 17 HE2 MET 17 -10.798 -14.346 7.337 6 HE1 MET 17 HE3 MET 17 -11.021 -13.528 5.789 7 H MET 17 HN MET 17 -9.356 -10.558 10.482 8 HB3 MET 17 HB1 MET 17 -9.079 -13.248 8.050 9 HG3 MET 17 HG1 MET 17 -9.798 -11.299 6.775 No H/Q in entry = 9 In of MODEL 4 1 HA LEU 18 HA LEU 18 -6.530 -14.969 11.379 2 HB2 LEU 18 HB2 LEU 18 -5.783 -12.579 13.099 3 HG LEU 18 HG LEU 18 -5.303 -12.238 10.656 4 HD12 LEU 18 HD11 LEU 18 -2.828 -12.468 12.376 5 HD11 LEU 18 HD12 LEU 18 -3.928 -11.090 12.304 6 HD13 LEU 18 HD13 LEU 18 -2.976 -11.527 10.887 7 HD23 LEU 18 HD21 LEU 18 -3.483 -14.632 10.947 8 HD22 LEU 18 HD22 LEU 18 -3.559 -13.553 9.551 9 HD21 LEU 18 HD23 LEU 18 -4.954 -14.539 9.974 10 H LEU 18 HN LEU 18 -7.613 -12.316 11.504 11 HB3 LEU 18 HB1 LEU 18 -4.860 -14.071 13.041 No H/Q in entry = 11 In of MODEL 4 1 HA GLN 19 HA GLN 19 -8.404 -14.884 15.930 2 HB2 GLN 19 HB2 GLN 19 -10.661 -13.051 15.007 3 HG2 GLN 19 HG2 GLN 19 -8.562 -12.481 17.112 4 HE21 GLN 19 HE21 GLN 19 -8.675 -9.703 16.098 5 HE22 GLN 19 HE22 GLN 19 -10.088 -9.015 16.814 6 H GLN 19 HN GLN 19 -8.486 -13.143 13.693 7 HB3 GLN 19 HB1 GLN 19 -10.553 -13.785 16.606 8 HG3 GLN 19 HG1 GLN 19 -8.531 -11.839 15.472 No H/Q in entry = 8 In of MODEL 4 1 HA ARG 20 HA ARG 20 -12.243 -16.922 14.022 2 HB2 ARG 20 HB2 ARG 20 -13.584 -16.456 11.988 3 HG2 ARG 20 HG2 ARG 20 -11.538 -14.297 11.394 4 HD2 ARG 20 HD2 ARG 20 -12.936 -13.728 9.451 5 HE ARG 20 HE ARG 20 -13.567 -12.955 12.014 6 HH11 ARG 20 HH11 ARG 20 -15.355 -13.292 9.001 7 HH12 ARG 20 HH12 ARG 20 -16.497 -12.058 9.420 8 HH21 ARG 20 HH21 ARG 20 -15.066 -11.368 12.537 9 HH22 ARG 20 HH22 ARG 20 -16.350 -10.979 11.435 10 H ARG 20 HN ARG 20 -10.635 -14.660 13.182 11 HB3 ARG 20 HB1 ARG 20 -13.340 -15.008 12.959 12 HG3 ARG 20 HG1 ARG 20 -11.871 -15.715 10.399 13 HD3 ARG 20 HD1 ARG 20 -14.165 -14.876 9.988 No H/Q in entry = 13 In of MODEL 4 1 HA GLU 21 HA GLU 21 -9.872 -18.851 10.355 2 HB2 GLU 21 HB2 GLU 21 -8.575 -16.858 9.516 3 HG2 GLU 21 HG2 GLU 21 -6.708 -18.040 8.459 4 H GLU 21 HN GLU 21 -9.493 -16.453 11.920 5 HB3 GLU 21 HB1 GLU 21 -7.311 -17.227 10.679 6 HG3 GLU 21 HG1 GLU 21 -6.909 -19.392 9.576 No H/Q in entry = 6 In of MODEL 4 1 HA TYR 22 HA TYR 22 -6.654 -20.707 13.166 2 HB2 TYR 22 HB2 TYR 22 -5.443 -18.192 14.400 3 HD1 TYR 22 HD1 TYR 22 -4.937 -16.806 12.500 4 HD2 TYR 22 HD2 TYR 22 -3.945 -20.962 12.370 5 HE1 TYR 22 HE1 TYR 22 -3.649 -16.445 10.440 6 HE2 TYR 22 HE2 TYR 22 -2.655 -20.582 10.310 7 HH TYR 22 HH TYR 22 -1.748 -17.545 9.229 8 H TYR 22 HN TYR 22 -7.328 -17.912 12.691 9 HB3 TYR 22 HB1 TYR 22 -4.793 -19.827 14.508 No H/Q in entry = 9 In of MODEL 4 1 HA SER 23 HA SER 23 -9.104 -19.068 17.037 2 HB2 SER 23 HB2 SER 23 -6.371 -20.055 17.982 3 HG SER 23 HG SER 23 -8.665 -21.242 17.089 4 H SER 23 HN SER 23 -6.888 -18.106 15.585 5 HB3 SER 23 HB1 SER 23 -7.722 -19.875 19.104 No H/Q in entry = 5 In of MODEL 4 1 HA THR 24 HA THR 24 -7.522 -15.713 19.637 2 HB THR 24 HB THR 24 -9.290 -15.070 21.337 3 HG1 THR 24 HG1 THR 24 -11.036 -16.909 20.035 4 HG21 THR 24 HG21 THR 24 -9.273 -13.990 19.115 5 HG23 THR 24 HG22 THR 24 -10.920 -14.169 19.727 6 HG22 THR 24 HG23 THR 24 -10.315 -15.262 18.479 7 H THR 24 HN THR 24 -9.366 -17.940 19.040 No H/Q in entry = 7 In of MODEL 4 1 HA LEU 25 HA LEU 25 -5.931 -18.315 22.821 2 HB2 LEU 25 HB2 LEU 25 -4.318 -16.299 22.651 3 HG LEU 25 HG LEU 25 -4.509 -17.643 25.382 4 HD12 LEU 25 HD11 LEU 25 -2.962 -18.479 22.908 5 HD11 LEU 25 HD12 LEU 25 -4.392 -19.283 23.569 6 HD13 LEU 25 HD13 LEU 25 -2.896 -19.256 24.493 7 HD21 LEU 25 HD21 LEU 25 -2.164 -16.244 24.049 8 HD23 LEU 25 HD22 LEU 25 -2.110 -17.130 25.576 9 HD22 LEU 25 HD23 LEU 25 -3.073 -15.660 25.447 10 H LEU 25 HN LEU 25 -6.437 -15.732 21.672 11 HB3 LEU 25 HB1 LEU 25 -5.158 -15.643 24.048 No H/Q in entry = 11 In of MODEL 4 1 HA ARG 26 HA ARG 26 -9.266 -17.808 25.701 2 HB2 ARG 26 HB2 ARG 26 -10.406 -19.913 26.029 3 HG2 ARG 26 HG2 ARG 26 -7.990 -21.346 24.874 4 HD2 ARG 26 HD2 ARG 26 -10.075 -22.376 24.080 5 HE ARG 26 HE ARG 26 -11.241 -21.720 26.457 6 HH11 ARG 26 HH11 ARG 26 -10.800 -24.802 24.823 7 HH12 ARG 26 HH12 ARG 26 -12.295 -25.450 25.411 8 HH21 ARG 26 HH21 ARG 26 -13.201 -22.591 27.192 9 HH22 ARG 26 HH22 ARG 26 -13.641 -24.212 26.755 10 H ARG 26 HN ARG 26 -7.110 -19.321 24.376 11 HB3 ARG 26 HB1 ARG 26 -9.878 -19.817 24.355 12 HG3 ARG 26 HG1 ARG 26 -8.548 -21.455 26.545 13 HD3 ARG 26 HD1 ARG 26 -9.254 -23.419 25.249 No H/Q in entry = 13 In of MODEL 4 1 HA SER 27 HA SER 27 -6.323 -18.871 29.175 2 HB2 SER 27 HB2 SER 27 -6.643 -21.848 28.536 3 HG SER 27 HG SER 27 -8.345 -19.906 29.493 4 H SER 27 HN SER 27 -6.408 -19.757 26.413 5 HB3 SER 27 HB1 SER 27 -6.184 -21.210 30.119 No H/Q in entry = 5 In of MODEL 4 1 HA VAL 28 HA VAL 28 -2.161 -20.640 28.674 2 HB VAL 28 HB VAL 28 -1.784 -18.016 30.208 3 H VAL 28 HN VAL 28 -4.320 -19.382 30.229 No H/Q in entry = 3 In of MODEL 4 1 HA GLN 29 HA GLN 29 -1.070 -21.821 32.857 2 HB2 GLN 29 HB2 GLN 29 -1.059 -24.305 32.966 3 HG2 GLN 29 HG2 GLN 29 -1.575 -24.242 29.984 4 HE21 GLN 29 HE21 GLN 29 -1.966 -26.275 29.002 5 HE22 GLN 29 HE22 GLN 29 -2.516 -27.632 29.916 6 H GLN 29 HN GLN 29 -1.039 -22.031 29.909 7 HB3 GLN 29 HB1 GLN 29 -2.516 -23.692 32.184 8 HG3 GLN 29 HG1 GLN 29 -0.107 -24.837 30.740 No H/Q in entry = 8 In of MODEL 4 1 HA TYR 30 HA TYR 30 3.291 -22.093 31.966 2 HB2 TYR 30 HB2 TYR 30 3.375 -19.948 33.167 3 HD1 TYR 30 HD1 TYR 30 4.989 -21.414 36.023 4 HD2 TYR 30 HD2 TYR 30 5.510 -20.768 31.828 5 HE1 TYR 30 HE1 TYR 30 7.402 -21.869 36.242 6 HE2 TYR 30 HE2 TYR 30 7.909 -21.205 32.060 7 HH TYR 30 HH TYR 30 9.637 -21.191 33.738 8 H TYR 30 HN TYR 30 0.934 -21.406 33.527 9 HB3 TYR 30 HB1 TYR 30 3.086 -20.759 34.707 No H/Q in entry = 9 In of MODEL 4 1 HA ARG 31 HA ARG 31 3.354 -25.970 34.195 2 HB2 ARG 31 HB2 ARG 31 4.818 -26.382 31.560 3 HG2 ARG 31 HG2 ARG 31 1.995 -27.148 32.370 4 HD2 ARG 31 HD2 ARG 31 3.630 -27.993 29.957 5 HE ARG 31 HE ARG 31 0.848 -27.680 30.071 6 HH11 ARG 31 HH11 ARG 31 3.154 -30.202 29.242 7 HH12 ARG 31 HH12 ARG 31 2.125 -30.897 28.028 8 HH21 ARG 31 HH21 ARG 31 -0.480 -28.583 28.466 9 HH22 ARG 31 HH22 ARG 31 0.065 -29.972 27.590 10 H ARG 31 HN ARG 31 3.707 -24.207 31.950 11 HB3 ARG 31 HB1 ARG 31 4.457 -27.652 32.734 12 HG3 ARG 31 HG1 ARG 31 2.481 -26.063 31.059 13 HD3 ARG 31 HD1 ARG 31 3.006 -29.053 31.229 No H/Q in entry = 13 In of MODEL 4 1 HA SER 32 HA SER 32 7.297 -24.548 35.838 2 HB2 SER 32 HB2 SER 32 7.209 -24.990 38.325 3 HG SER 32 HG SER 32 4.671 -25.477 38.662 4 H SER 32 HN SER 32 4.596 -25.463 35.914 5 HB3 SER 32 HB1 SER 32 5.861 -24.010 37.743 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 33 HA GLU 33 7.926 -29.322 36.740 2 HB2 GLU 33 HB2 GLU 33 5.701 -30.084 34.810 3 HG2 GLU 33 HG2 GLU 33 5.758 -30.157 37.833 4 H GLU 33 HN GLU 33 5.788 -27.696 35.852 5 HB3 GLU 33 HB1 GLU 33 6.714 -31.202 35.728 6 HG3 GLU 33 HG1 GLU 33 4.612 -29.298 36.803 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 34 HA GLU 34 9.499 -29.334 32.381 2 HB2 GLU 34 HB2 GLU 34 7.138 -28.046 30.954 3 HG2 GLU 34 HG2 GLU 34 7.551 -30.918 31.799 4 H GLU 34 HN GLU 34 7.213 -27.910 33.631 5 HB3 GLU 34 HB1 GLU 34 8.401 -29.052 30.240 6 HG3 GLU 34 HG1 GLU 34 6.157 -29.885 32.094 No H/Q in entry = 6 In of MODEL 4 1 HA3 GLY 35 HA2 GLY 35 9.297 -24.196 33.432 2 H GLY 35 HN GLY 35 8.438 -26.317 33.525 3 HA2 GLY 35 HA1 GLY 35 10.741 -24.882 32.698 No H/Q in entry = 3 In of MODEL 4 1 HA VAL 36 HA VAL 36 8.129 -23.243 29.162 2 HB VAL 36 HB VAL 36 6.760 -24.697 27.670 3 H VAL 36 HN VAL 36 7.399 -24.922 31.491 No H/Q in entry = 3 In of MODEL 4 1 HA ILE 37 HA ILE 37 4.074 -21.546 29.921 2 HB ILE 37 HB ILE 37 5.126 -19.833 27.614 3 HD12 ILE 37 HD11 ILE 37 5.296 -17.269 29.485 4 HD11 ILE 37 HD12 ILE 37 6.530 -17.737 28.311 5 HD13 ILE 37 HD13 ILE 37 6.959 -17.539 30.008 6 H ILE 37 HN ILE 37 6.553 -21.901 28.405 No H/Q in entry = 6 In of MODEL 4 1 HA VAL 38 HA VAL 38 2.121 -23.505 26.406 2 HB VAL 38 HB VAL 38 0.896 -24.622 28.969 3 H VAL 38 HN VAL 38 2.346 -22.624 29.219 No H/Q in entry = 3 In of MODEL 4 1 HA PHE 39 HA PHE 39 -1.201 -20.504 26.266 2 HB2 PHE 39 HB2 PHE 39 0.015 -20.714 23.471 3 HD1 PHE 39 HD1 PHE 39 -0.310 -17.671 25.506 4 HD2 PHE 39 HD2 PHE 39 2.383 -20.690 24.134 5 HE1 PHE 39 HE1 PHE 39 1.598 -16.286 26.194 6 HE2 PHE 39 HE2 PHE 39 4.287 -19.301 24.821 7 HZ PHE 39 HZ PHE 39 3.894 -17.093 25.851 8 H PHE 39 HN PHE 39 1.005 -22.110 25.293 9 HB3 PHE 39 HB1 PHE 39 -1.087 -19.463 24.028 No H/Q in entry = 9 In of MODEL 4 1 HA ILE 40 HA ILE 40 -3.844 -23.825 24.671 2 HB ILE 40 HB ILE 40 -5.404 -22.580 26.982 3 HD12 ILE 40 HD11 ILE 40 -5.514 -25.342 28.580 4 HD11 ILE 40 HD12 ILE 40 -5.110 -23.780 29.297 5 HD13 ILE 40 HD13 ILE 40 -3.976 -25.123 29.415 6 H ILE 40 HN ILE 40 -3.048 -21.744 26.522 No H/Q in entry = 6 In of MODEL 4 1 HA LEU 41 HA LEU 41 -6.025 -20.854 22.169 2 HB2 LEU 41 HB2 LEU 41 -5.458 -23.322 20.483 3 HG LEU 41 HG LEU 41 -3.439 -21.986 20.905 4 HD11 LEU 41 HD11 LEU 41 -3.650 -22.976 18.665 5 HD13 LEU 41 HD12 LEU 41 -2.768 -21.452 18.607 6 HD12 LEU 41 HD13 LEU 41 -4.453 -21.519 18.080 7 HD22 LEU 41 HD21 LEU 41 -4.503 -19.885 21.523 8 HD21 LEU 41 HD22 LEU 41 -5.039 -19.633 19.859 9 HD23 LEU 41 HD23 LEU 41 -3.323 -19.630 20.245 10 H LEU 41 HN LEU 41 -4.883 -23.463 22.815 11 HB3 LEU 41 HB1 LEU 41 -6.288 -21.907 19.839 No H/Q in entry = 11 In of MODEL 4 1 HA ALA 42 HA ALA 42 -10.304 -21.747 22.138 2 HB1 ALA 42 HB1 ALA 42 -10.042 -20.483 19.385 3 HB2 ALA 42 HB2 ALA 42 -10.266 -19.612 20.901 4 HB3 ALA 42 HB3 ALA 42 -11.543 -20.671 20.306 5 H ALA 42 HN ALA 42 -8.008 -20.678 20.932 No H/Q in entry = 5 In of MODEL 4 1 HA ASN 43 HA ASN 43 -10.319 -25.001 18.707 2 HB2 ASN 43 HB2 ASN 43 -9.003 -25.452 16.805 3 HD21 ASN 43 HD21 ASN 43 -6.764 -22.909 17.729 4 HD22 ASN 43 HD22 ASN 43 -5.348 -23.865 17.575 5 H ASN 43 HN ASN 43 -8.399 -22.912 19.404 6 HB3 ASN 43 HB1 ASN 43 -8.822 -23.720 17.008 No H/Q in entry = 6 In of MODEL 4 1 HA ASP 44 HA ASP 44 -7.809 -26.116 22.944 2 HB2 ASP 44 HB2 ASP 44 -9.719 -27.546 22.340 3 H ASP 44 HN ASP 44 -8.535 -24.743 21.310 4 HB3 ASP 44 HB1 ASP 44 -8.770 -28.354 21.109 No H/Q in entry = 4 In of MODEL 4 1 HA ARG 45 HA ARG 45 -4.005 -27.377 20.488 2 HB2 ARG 45 HB2 ARG 45 -4.490 -26.338 18.349 3 HG2 ARG 45 HG2 ARG 45 -1.896 -25.103 19.331 4 HD2 ARG 45 HD2 ARG 45 -2.679 -24.310 17.100 5 HE ARG 45 HE ARG 45 -2.534 -27.175 16.322 6 HH11 ARG 45 HH11 ARG 45 -3.850 -23.966 15.757 7 HH12 ARG 45 HH12 ARG 45 -4.849 -24.480 14.444 8 HH21 ARG 45 HH21 ARG 45 -3.854 -27.835 14.605 9 HH22 ARG 45 HH22 ARG 45 -4.863 -26.679 13.790 10 H ARG 45 HN ARG 45 -6.150 -25.400 20.445 11 HB3 ARG 45 HB1 ARG 45 -4.294 -24.729 19.034 12 HG3 ARG 45 HG1 ARG 45 -2.065 -26.771 18.773 13 HD3 ARG 45 HD1 ARG 45 -1.176 -25.225 17.026 No H/Q in entry = 13 In of MODEL 4 1 HA GLU 46 HA GLU 46 -2.004 -25.022 23.704 2 HB2 GLU 46 HB2 GLU 46 -0.894 -27.847 23.781 3 HG2 GLU 46 HG2 GLU 46 -3.030 -26.579 25.509 4 H GLU 46 HN GLU 46 -2.645 -27.368 22.141 5 HB3 GLU 46 HB1 GLU 46 -0.573 -26.597 24.972 6 HG3 GLU 46 HG1 GLU 46 -3.229 -27.949 24.414 No H/Q in entry = 6 In of MODEL 4 1 HA LEU 47 HA LEU 47 1.583 -24.324 21.035 2 HB2 LEU 47 HB2 LEU 47 0.254 -21.724 21.778 3 HG LEU 47 HG LEU 47 -0.387 -22.837 19.619 4 HD13 LEU 47 HD11 LEU 47 -0.608 -20.419 19.799 5 HD12 LEU 47 HD12 LEU 47 -0.114 -20.862 18.167 6 HD11 LEU 47 HD13 LEU 47 1.068 -20.199 19.298 7 HD23 LEU 47 HD21 LEU 47 2.521 -22.372 18.848 8 HD22 LEU 47 HD22 LEU 47 1.247 -22.969 17.778 9 HD21 LEU 47 HD23 LEU 47 1.772 -23.943 19.152 10 H LEU 47 HN LEU 47 -0.775 -23.570 22.523 11 HB3 LEU 47 HB1 LEU 47 1.927 -21.689 21.238 No H/Q in entry = 11 In of MODEL 4 1 HA LYS 48 HA LYS 48 3.802 -24.313 24.845 2 HB2 LYS 48 HB2 LYS 48 3.152 -26.634 24.221 3 HG2 LYS 48 HG2 LYS 48 6.055 -26.629 25.104 4 HD2 LYS 48 HD2 LYS 48 3.781 -28.602 25.526 5 HE2 LYS 48 HE2 LYS 48 6.587 -28.696 26.652 6 HZ2 LYS 48 HZ1 LYS 48 5.835 -30.704 27.722 7 HZ1 LYS 48 HZ2 LYS 48 5.734 -30.868 26.043 8 HZ3 LYS 48 HZ3 LYS 48 4.337 -30.595 26.949 9 H LYS 48 HN LYS 48 3.425 -24.824 21.949 10 HB3 LYS 48 HB1 LYS 48 4.559 -26.742 23.169 11 HG3 LYS 48 HG1 LYS 48 4.683 -26.346 26.183 12 HD3 LYS 48 HD1 LYS 48 5.251 -28.877 24.587 13 HE3 LYS 48 HE1 LYS 48 5.115 -28.414 27.585 No H/Q in entry = 13 In of MODEL 4 1 HA PHE 49 HA PHE 49 7.891 -23.028 23.585 2 HB2 PHE 49 HB2 PHE 49 6.269 -20.463 24.008 3 HD1 PHE 49 HD1 PHE 49 8.385 -20.974 21.086 4 HD2 PHE 49 HD2 PHE 49 4.395 -21.347 22.578 5 HE1 PHE 49 HE1 PHE 49 7.534 -21.142 18.782 6 HE2 PHE 49 HE2 PHE 49 3.559 -21.519 20.271 7 HZ PHE 49 HZ PHE 49 5.123 -21.420 18.373 8 H PHE 49 HN PHE 49 5.308 -22.803 25.022 9 HB3 PHE 49 HB1 PHE 49 7.922 -20.508 23.411 No H/Q in entry = 9 In of MODEL 4 1 HA ARG 50 HA ARG 50 9.326 -22.234 27.740 2 HB2 ARG 50 HB2 ARG 50 11.821 -21.864 26.035 3 HG2 ARG 50 HG2 ARG 50 12.628 -23.918 27.271 4 HD2 ARG 50 HD2 ARG 50 11.478 -25.564 25.882 5 HE ARG 50 HE ARG 50 12.368 -23.090 24.656 6 HH11 ARG 50 HH11 ARG 50 11.317 -26.375 23.980 7 HH12 ARG 50 HH12 ARG 50 11.986 -26.367 22.383 8 HH21 ARG 50 HH21 ARG 50 13.209 -23.115 22.571 9 HH22 ARG 50 HH22 ARG 50 13.056 -24.545 21.598 10 H ARG 50 HN ARG 50 9.703 -22.301 24.869 11 HB3 ARG 50 HB1 ARG 50 11.844 -21.755 27.786 12 HG3 ARG 50 HG1 ARG 50 10.975 -24.143 27.842 13 HD3 ARG 50 HD1 ARG 50 10.190 -24.408 25.530 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 51 HA PRO 51 9.060 -17.746 28.396 2 HB2 PRO 51 HB2 PRO 51 10.832 -17.548 30.597 3 HG2 PRO 51 HG2 PRO 51 11.385 -19.801 30.764 4 HD2 PRO 51 HD2 PRO 51 10.222 -21.455 29.595 5 HB3 PRO 51 HB1 PRO 51 9.093 -17.859 30.689 6 HG3 PRO 51 HG1 PRO 51 9.869 -19.819 31.688 7 HD3 PRO 51 HD1 PRO 51 8.639 -20.695 29.889 No H/Q in entry = 7 In of MODEL 4 1 HA ASP 52 HA ASP 52 13.706 -16.785 27.769 2 HB2 ASP 52 HB2 ASP 52 14.746 -19.652 27.806 3 H ASP 52 HN ASP 52 12.330 -19.209 28.487 4 HB3 ASP 52 HB1 ASP 52 15.723 -18.182 27.784 No H/Q in entry = 4 In of MODEL 4 1 HA ASP 53 HA ASP 53 13.269 -18.227 23.401 2 HB2 ASP 53 HB2 ASP 53 10.743 -19.730 24.178 3 H ASP 53 HN ASP 53 11.762 -18.612 25.905 4 HB3 ASP 53 HB1 ASP 53 10.994 -19.281 22.497 No H/Q in entry = 4 In of MODEL 4 1 HA LEU 54 HA LEU 54 9.351 -15.568 22.975 2 HB2 LEU 54 HB2 LEU 54 8.467 -15.787 25.878 3 HG LEU 54 HG LEU 54 8.467 -18.018 24.694 4 HD13 LEU 54 HD11 LEU 54 6.178 -18.616 25.308 5 HD12 LEU 54 HD12 LEU 54 5.735 -16.909 25.395 6 HD11 LEU 54 HD13 LEU 54 6.917 -17.576 26.526 7 HD23 LEU 54 HD21 LEU 54 6.835 -18.395 22.878 8 HD22 LEU 54 HD22 LEU 54 8.078 -17.245 22.401 9 HD21 LEU 54 HD23 LEU 54 6.466 -16.671 22.840 10 H LEU 54 HN LEU 54 10.532 -17.011 25.228 11 HB3 LEU 54 HB1 LEU 54 7.507 -15.132 24.553 No H/Q in entry = 11 In of MODEL 4 1 HA GLN 55 HA GLN 55 11.090 -11.646 23.868 2 HB2 GLN 55 HB2 GLN 55 10.042 -11.010 21.821 3 HG2 GLN 55 HG2 GLN 55 9.022 -8.796 22.083 4 HE21 GLN 55 HE21 GLN 55 10.266 -6.938 22.343 5 HE22 GLN 55 HE22 GLN 55 11.878 -6.963 22.954 6 H GLN 55 HN GLN 55 9.132 -13.362 22.838 7 HB3 GLN 55 HB1 GLN 55 8.431 -11.117 22.507 8 HG3 GLN 55 HG1 GLN 55 8.824 -9.068 23.808 No H/Q in entry = 8 In of MODEL 4 1 HA ALA 56 HA ALA 56 7.492 -10.076 26.796 2 HB3 ALA 56 HB1 ALA 56 5.679 -11.348 27.876 3 HB1 ALA 56 HB2 ALA 56 6.194 -12.822 27.048 4 HB2 ALA 56 HB3 ALA 56 5.555 -11.471 26.120 5 H ALA 56 HN ALA 56 7.705 -12.120 24.922 No H/Q in entry = 5 In of MODEL 4 1 HA THR 57 HA THR 57 9.307 -12.890 29.998 2 HB THR 57 HB THR 57 9.087 -15.431 30.050 3 HG1 THR 57 HG1 THR 57 9.342 -15.511 27.627 4 HG23 THR 57 HG21 THR 57 6.638 -15.359 29.988 5 HG22 THR 57 HG22 THR 57 6.693 -13.850 29.078 6 HG21 THR 57 HG23 THR 57 7.276 -13.903 30.742 7 H THR 57 HN THR 57 8.859 -13.273 27.110 No H/Q in entry = 7 In of MODEL 4 1 HA TYR 58 HA TYR 58 13.334 -14.265 28.031 2 HB2 TYR 58 HB2 TYR 58 12.703 -13.053 25.779 3 HD1 TYR 58 HD1 TYR 58 14.134 -15.286 25.816 4 HD2 TYR 58 HD2 TYR 58 15.803 -11.360 26.050 5 HE1 TYR 58 HE1 TYR 58 16.273 -16.144 24.979 6 HE2 TYR 58 HE2 TYR 58 17.949 -12.222 25.205 7 HH TYR 58 HH TYR 58 18.278 -15.231 23.752 8 H TYR 58 HN TYR 58 11.099 -12.524 27.468 9 HB3 TYR 58 HB1 TYR 58 13.481 -11.647 26.492 No H/Q in entry = 9 In of MODEL 4 1 HA3 GLY 59 HA2 GLY 59 14.975 -12.868 31.884 2 H GLY 59 HN GLY 59 13.452 -13.935 30.280 3 HA2 GLY 59 HA1 GLY 59 14.490 -11.311 31.239 No H/Q in entry = 3 In of MODEL 4 1 HA ALA 60 HA ALA 60 10.925 -12.168 34.007 2 HB1 ALA 60 HB1 ALA 60 9.362 -13.836 32.007 3 HB2 ALA 60 HB2 ALA 60 9.483 -12.075 32.009 4 HB3 ALA 60 HB3 ALA 60 8.684 -12.903 33.348 5 H ALA 60 HN ALA 60 11.933 -13.652 31.641 No H/Q in entry = 5 In of MODEL 4 1 HA THR 61 HA THR 61 11.065 -15.976 36.285 2 HB THR 61 HB THR 61 10.386 -15.365 38.708 3 HG1 THR 61 HG1 THR 61 10.201 -13.043 39.004 4 HG21 THR 61 HG21 THR 61 12.508 -13.652 37.356 5 HG23 THR 61 HG22 THR 61 12.739 -15.288 37.981 6 HG22 THR 61 HG23 THR 61 12.383 -13.965 39.092 7 H THR 61 HN THR 61 10.090 -13.244 35.796 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 62 HA PRO 62 7.147 -18.186 36.193 2 HB2 PRO 62 HB2 PRO 62 7.851 -19.120 38.980 3 HG2 PRO 62 HG2 PRO 62 9.913 -20.020 38.259 4 HD2 PRO 62 HD2 PRO 62 10.330 -17.731 38.468 5 HB3 PRO 62 HB1 PRO 62 7.353 -20.071 37.570 6 HG3 PRO 62 HG1 PRO 62 9.470 -19.878 36.543 7 HD3 PRO 62 HD1 PRO 62 10.783 -17.971 36.765 No H/Q in entry = 7 In of MODEL 4 1 HA GLU 63 HA GLU 63 5.184 -16.275 40.250 2 HB2 GLU 63 HB2 GLU 63 5.932 -14.292 41.536 3 HG2 GLU 63 HG2 GLU 63 8.339 -14.337 39.691 4 H GLU 63 HN GLU 63 7.787 -16.303 39.141 5 HB3 GLU 63 HB1 GLU 63 7.144 -15.573 41.541 6 HG3 GLU 63 HG1 GLU 63 7.197 -13.011 39.919 No H/Q in entry = 6 In of MODEL 4 1 HA GLN 64 HA GLN 64 4.489 -12.463 37.471 2 HB2 GLN 64 HB2 GLN 64 6.823 -13.042 35.602 3 HG2 GLN 64 HG2 GLN 64 6.694 -11.076 37.905 4 HE21 GLN 64 HE21 GLN 64 8.360 -11.995 34.939 5 HE22 GLN 64 HE22 GLN 64 9.447 -10.658 34.925 6 H GLN 64 HN GLN 64 6.631 -14.410 37.703 7 HB3 GLN 64 HB1 GLN 64 5.831 -11.588 35.630 8 HG3 GLN 64 HG1 GLN 64 7.745 -12.486 37.801 No H/Q in entry = 8 In of MODEL 4 1 HA LEU 65 HA LEU 65 3.320 -15.526 34.008 2 HB2 LEU 65 HB2 LEU 65 5.135 -17.808 34.953 3 HG LEU 65 HG LEU 65 6.684 -15.982 34.540 4 HD13 LEU 65 HD11 LEU 65 8.006 -16.854 32.670 5 HD12 LEU 65 HD12 LEU 65 6.634 -17.834 32.143 6 HD11 LEU 65 HD13 LEU 65 7.396 -18.147 33.704 7 HD21 LEU 65 HD21 LEU 65 5.217 -14.466 33.322 8 HD23 LEU 65 HD22 LEU 65 5.271 -15.510 31.899 9 HD22 LEU 65 HD23 LEU 65 6.736 -14.698 32.461 10 H LEU 65 HN LEU 65 5.126 -15.616 36.382 11 HB3 LEU 65 HB1 LEU 65 4.389 -17.604 33.370 No H/Q in entry = 11 In of MODEL 4 1 HA ARG 66 HA ARG 66 0.952 -17.983 37.245 2 HB2 ARG 66 HB2 ARG 66 1.394 -15.703 39.237 3 HG2 ARG 66 HG2 ARG 66 2.366 -18.561 39.482 4 HD2 ARG 66 HD2 ARG 66 1.701 -17.599 41.653 5 HE ARG 66 HE ARG 66 3.191 -15.247 40.746 6 HH11 ARG 66 HH11 ARG 66 1.442 -16.714 43.418 7 HH12 ARG 66 HH12 ARG 66 1.273 -15.203 44.249 8 HH21 ARG 66 HH21 ARG 66 2.910 -13.309 41.821 9 HH22 ARG 66 HH22 ARG 66 2.086 -13.280 43.346 10 H ARG 66 HN ARG 66 2.868 -15.769 37.187 11 HB3 ARG 66 HB1 ARG 66 0.376 -17.118 39.505 12 HG3 ARG 66 HG1 ARG 66 3.392 -17.161 39.156 13 HD3 ARG 66 HD1 ARG 66 3.460 -17.726 41.546 No H/Q in entry = 13 In of MODEL 4 1 HA GLU 67 HA GLU 67 -1.964 -14.308 37.012 2 HB2 GLU 67 HB2 GLU 67 -1.508 -11.803 37.683 3 HG2 GLU 67 HG2 GLU 67 0.972 -13.107 38.850 4 H GLU 67 HN GLU 67 0.900 -14.460 37.566 5 HB3 GLU 67 HB1 GLU 67 -1.497 -13.046 38.929 6 HG3 GLU 67 HG1 GLU 67 0.963 -11.852 37.620 No H/Q in entry = 6 In of MODEL 4 1 HA ILE 68 HA ILE 68 -0.751 -13.006 32.924 2 HB ILE 68 HB ILE 68 -1.575 -15.940 32.916 3 HD13 ILE 68 HD11 ILE 68 0.412 -17.548 32.935 4 HD12 ILE 68 HD12 ILE 68 2.014 -16.937 32.535 5 HD11 ILE 68 HD13 ILE 68 0.767 -16.997 31.292 6 H ILE 68 HN ILE 68 -2.065 -14.727 34.946 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 69 HA GLU 69 -4.966 -12.584 31.385 2 HB2 GLU 69 HB2 GLU 69 -4.448 -10.357 32.412 3 HG2 GLU 69 HG2 GLU 69 -5.659 -10.055 29.647 4 H GLU 69 HN GLU 69 -2.054 -11.997 31.439 5 HB3 GLU 69 HB1 GLU 69 -3.562 -9.896 30.961 6 HG3 GLU 69 HG1 GLU 69 -6.539 -10.484 31.115 No H/Q in entry = 6 In of MODEL 4 1 HA ILE 70 HA ILE 70 -4.315 -13.030 26.971 2 HB ILE 70 HB ILE 70 -7.227 -12.103 27.026 3 HD12 ILE 70 HD11 ILE 70 -4.904 -15.040 27.682 4 HD11 ILE 70 HD12 ILE 70 -5.696 -15.519 26.179 5 HD13 ILE 70 HD13 ILE 70 -6.212 -16.221 27.711 6 H ILE 70 HN ILE 70 -5.957 -12.247 29.215 No H/Q in entry = 6 In of MODEL 4 1 HA SER 71 HA SER 71 -2.940 -9.218 25.362 2 HB2 SER 71 HB2 SER 71 -2.863 -9.066 22.863 3 HG SER 71 HG SER 71 -4.395 -11.465 22.911 4 H SER 71 HN SER 71 -4.061 -11.742 24.974 5 HB3 SER 71 HB1 SER 71 -2.350 -10.650 23.452 No H/Q in entry = 5 In of MODEL 4 1 HA PRO 72 HA PRO 72 -6.373 -6.287 24.986 2 HB2 PRO 72 HB2 PRO 72 -5.156 -4.133 23.839 3 HG2 PRO 72 HG2 PRO 72 -3.260 -5.283 22.985 4 HD2 PRO 72 HD2 PRO 72 -2.471 -7.247 23.975 5 HB3 PRO 72 HB1 PRO 72 -4.808 -4.632 25.506 6 HG3 PRO 72 HG1 PRO 72 -2.655 -4.619 24.519 7 HD3 PRO 72 HD1 PRO 72 -2.821 -6.683 25.627 No H/Q in entry = 7 In of MODEL 4 1 HA SER 73 HA SER 73 -6.497 -6.651 20.213 2 HB2 SER 73 HB2 SER 73 -4.261 -8.727 20.105 3 HG SER 73 HG SER 73 -4.272 -5.954 19.473 4 H SER 73 HN SER 73 -4.624 -7.495 22.260 5 HB3 SER 73 HB1 SER 73 -5.099 -8.024 18.717 No H/Q in entry = 5 In of MODEL 4 1 HA3 GLY 74 HA2 GLY 74 -7.606 -10.968 23.018 2 H GLY 74 HN GLY 74 -6.135 -9.283 22.443 3 HA2 GLY 74 HA1 GLY 74 -8.605 -10.584 21.632 No H/Q in entry = 3 In of MODEL 4 1 HA LEU 75 HA LEU 75 -5.942 -13.467 19.317 2 HB2 LEU 75 HB2 LEU 75 -3.958 -11.220 18.861 3 HG LEU 75 HG LEU 75 -6.185 -11.234 17.587 4 HD13 LEU 75 HD11 LEU 75 -5.171 -10.624 15.426 5 HD12 LEU 75 HD12 LEU 75 -3.644 -11.353 15.931 6 HD11 LEU 75 HD13 LEU 75 -4.270 -9.941 16.782 7 HD22 LEU 75 HD21 LEU 75 -6.384 -13.659 17.250 8 HD21 LEU 75 HD22 LEU 75 -4.935 -13.662 16.243 9 HD23 LEU 75 HD23 LEU 75 -6.387 -12.822 15.696 10 H LEU 75 HN LEU 75 -5.578 -10.815 20.424 11 HB3 LEU 75 HB1 LEU 75 -3.654 -12.816 18.191 No H/Q in entry = 11 In of MODEL 4 1 HA3 GLY 76 HA2 GLY 76 -2.041 -14.520 21.629 2 H GLY 76 HN GLY 76 -3.030 -11.910 20.753 3 HA2 GLY 76 HA1 GLY 76 -1.157 -13.000 21.611 No H/Q in entry = 3 In of MODEL 4 1 HA VAL 77 HA VAL 77 -2.376 -12.949 25.854 2 HB VAL 77 HB VAL 77 -0.517 -14.883 25.583 3 H VAL 77 HN VAL 77 -0.445 -12.860 23.619 No H/Q in entry = 3 In of MODEL 4 1 HA TYR 78 HA TYR 78 0.427 -9.661 27.297 2 HB2 TYR 78 HB2 TYR 78 -1.730 -8.533 26.608 3 HD1 TYR 78 HD1 TYR 78 -1.817 -7.475 30.115 4 HD2 TYR 78 HD2 TYR 78 0.170 -6.906 26.372 5 HE1 TYR 78 HE1 TYR 78 -0.861 -5.366 30.943 6 HE2 TYR 78 HE2 TYR 78 1.120 -4.798 27.197 7 HH TYR 78 HH TYR 78 0.903 -3.841 30.522 8 H TYR 78 HN TYR 78 -1.725 -11.606 27.669 9 HB3 TYR 78 HB1 TYR 78 -2.397 -8.878 28.198 No H/Q in entry = 9 In of MODEL 4 1 HA PHE 79 HA PHE 79 0.683 -11.457 31.380 2 HB2 PHE 79 HB2 PHE 79 3.540 -10.934 30.468 3 HD1 PHE 79 HD1 PHE 79 0.737 -13.239 30.322 4 HD2 PHE 79 HD2 PHE 79 4.858 -12.905 29.926 5 HE1 PHE 79 HE1 PHE 79 0.833 -15.406 29.222 6 HE2 PHE 79 HE2 PHE 79 4.895 -15.083 28.808 7 HZ PHE 79 HZ PHE 79 2.901 -16.347 28.459 8 H PHE 79 HN PHE 79 1.715 -10.462 28.862 9 HB3 PHE 79 HB1 PHE 79 3.078 -11.756 31.956 No H/Q in entry = 9 In of MODEL 4 1 HA GLU 80 HA GLU 80 0.236 -7.344 32.555 2 HB2 GLU 80 HB2 GLU 80 -1.763 -8.586 33.402 3 HG2 GLU 80 HG2 GLU 80 -0.829 -6.446 35.337 4 H GLU 80 HN GLU 80 0.189 -10.174 33.020 5 HB3 GLU 80 HB1 GLU 80 -0.916 -8.875 34.919 6 HG3 GLU 80 HG1 GLU 80 -1.646 -6.147 33.804 No H/Q in entry = 6 In of MODEL 4 1 HA THR 81 HA THR 81 2.734 -7.653 36.758 2 HB THR 81 HB THR 81 4.170 -10.213 35.971 3 HG1 THR 81 HG1 THR 81 1.837 -9.935 37.588 4 HG23 THR 81 HG21 THR 81 5.291 -8.930 37.751 5 HG22 THR 81 HG22 THR 81 4.598 -10.416 38.396 6 HG21 THR 81 HG23 THR 81 3.783 -8.878 38.683 7 H THR 81 HN THR 81 1.833 -9.508 34.840 No H/Q in entry = 7 In of MODEL 4 1 HA LEU 82 HA LEU 82 6.533 -7.086 34.026 2 HB2 LEU 82 HB2 LEU 82 7.166 -8.373 31.798 3 HG LEU 82 HG LEU 82 4.860 -9.603 31.661 4 HD13 LEU 82 HD11 LEU 82 5.867 -11.611 30.699 5 HD12 LEU 82 HD12 LEU 82 7.405 -11.244 31.490 6 HD11 LEU 82 HD13 LEU 82 6.781 -10.174 30.233 7 HD21 LEU 82 HD21 LEU 82 4.748 -10.384 33.991 8 HD23 LEU 82 HD22 LEU 82 6.192 -11.365 33.739 9 HD22 LEU 82 HD23 LEU 82 4.710 -11.729 32.853 10 H LEU 82 HN LEU 82 4.114 -8.744 33.731 11 HB3 LEU 82 HB1 LEU 82 7.347 -9.164 33.353 No H/Q in entry = 11 In of MODEL 4 1 HA GLU 83 HA GLU 83 2.305 -5.781 31.203 2 HB2 GLU 83 HB2 GLU 83 4.611 -3.840 31.652 3 HG2 GLU 83 HG2 GLU 83 1.848 -3.942 32.898 4 H GLU 83 HN GLU 83 3.454 -7.035 32.686 5 HB3 GLU 83 HB1 GLU 83 3.104 -3.419 30.833 6 HG3 GLU 83 HG1 GLU 83 3.357 -4.337 33.720 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 84 HA GLU 84 4.870 -6.643 27.541 2 HB2 GLU 84 HB2 GLU 84 6.659 -7.384 29.414 3 HG2 GLU 84 HG2 GLU 84 8.276 -8.178 27.711 4 H GLU 84 HN GLU 84 3.978 -7.756 30.139 5 HB3 GLU 84 HB1 GLU 84 6.313 -8.994 28.805 6 HG3 GLU 84 HG1 GLU 84 6.968 -8.230 26.533 No H/Q in entry = 6 In of MODEL 4 1 HA ASP 85 HA ASP 85 2.235 -9.945 26.283 2 HB2 ASP 85 HB2 ASP 85 1.075 -9.158 24.283 3 H ASP 85 HN ASP 85 4.244 -7.829 25.764 4 HB3 ASP 85 HB1 ASP 85 1.403 -7.777 25.316 No H/Q in entry = 4 In of MODEL 4 1 HA VAL 86 HA VAL 86 4.339 -12.256 22.999 2 HB VAL 86 HB VAL 86 2.569 -14.398 24.345 3 H VAL 86 HN VAL 86 2.023 -11.688 24.789 No H/Q in entry = 3 In of MODEL 4 1 HA SER 87 HA SER 87 0.988 -11.742 20.111 2 HB2 SER 87 HB2 SER 87 2.771 -10.458 19.005 3 HG SER 87 HG SER 87 2.107 -10.776 16.931 4 H SER 87 HN SER 87 3.690 -11.924 20.959 5 HB3 SER 87 HB1 SER 87 3.546 -11.946 18.462 No H/Q in entry = 5 In of MODEL 4 1 HA LEU 88 HA LEU 88 0.274 -16.088 19.572 2 HB2 LEU 88 HB2 LEU 88 -2.042 -15.049 19.954 3 HG LEU 88 HG LEU 88 -1.870 -17.400 18.044 4 HD11 LEU 88 HD11 LEU 88 -0.663 -17.717 20.175 5 HD13 LEU 88 HD12 LEU 88 -2.070 -18.763 20.061 6 HD12 LEU 88 HD13 LEU 88 -2.133 -17.316 21.071 7 HD21 LEU 88 HD21 LEU 88 -4.117 -16.379 17.960 8 HD23 LEU 88 HD22 LEU 88 -4.243 -16.497 19.717 9 HD22 LEU 88 HD23 LEU 88 -4.157 -17.962 18.738 10 H LEU 88 HN LEU 88 -0.391 -13.350 19.616 11 HB3 LEU 88 HB1 LEU 88 -2.176 -14.896 18.217 No H/Q in entry = 11 In of MODEL 4 1 HA ILE 89 HA ILE 89 -0.271 -15.513 14.781 2 HB ILE 89 HB ILE 89 0.322 -12.516 14.825 3 HD12 ILE 89 HD11 ILE 89 -2.441 -15.086 15.254 4 HD11 ILE 89 HD12 ILE 89 -2.680 -14.550 13.587 5 HD13 ILE 89 HD13 ILE 89 -3.723 -13.938 14.868 6 H ILE 89 HN ILE 89 -0.420 -13.790 17.005 No H/Q in entry = 6 In of MODEL 4 1 HA3 GLY 90 HA2 GLY 90 4.428 -14.091 15.069 2 H GLY 90 HN GLY 90 2.110 -13.647 16.555 3 HA2 GLY 90 HA1 GLY 90 4.354 -13.921 16.820 No H/Q in entry = 3 In of MODEL 4 1 HA LEU 91 HA LEU 91 4.929 -18.145 17.696 2 HB2 LEU 91 HB2 LEU 91 2.008 -18.261 18.534 3 HG LEU 91 HG LEU 91 3.090 -16.510 19.840 4 HD12 LEU 91 HD11 LEU 91 2.765 -19.049 21.465 5 HD11 LEU 91 HD12 LEU 91 1.479 -17.938 20.983 6 HD13 LEU 91 HD13 LEU 91 2.734 -17.398 22.097 7 HD21 LEU 91 HD21 LEU 91 5.239 -18.553 20.515 8 HD23 LEU 91 HD22 LEU 91 5.077 -16.951 21.239 9 HD22 LEU 91 HD23 LEU 91 5.436 -17.102 19.523 10 H LEU 91 HN LEU 91 3.003 -16.078 17.683 11 HB3 LEU 91 HB1 LEU 91 3.244 -19.427 18.993 No H/Q in entry = 11 In of MODEL 4 1 HA LEU 92 HA LEU 92 1.879 -20.293 14.652 2 HB2 LEU 92 HB2 LEU 92 0.575 -17.673 13.816 3 HG LEU 92 HG LEU 92 -0.135 -18.546 16.117 4 HD13 LEU 92 HD11 LEU 92 -2.538 -18.238 15.721 5 HD12 LEU 92 HD12 LEU 92 -2.284 -18.420 13.983 6 HD11 LEU 92 HD13 LEU 92 -1.573 -17.052 14.840 7 HD21 LEU 92 HD21 LEU 92 0.027 -20.954 15.680 8 HD23 LEU 92 HD22 LEU 92 -1.282 -20.856 14.500 9 HD22 LEU 92 HD23 LEU 92 -1.602 -20.528 16.206 10 H LEU 92 HN LEU 92 2.038 -17.652 15.792 11 HB3 LEU 92 HB1 LEU 92 0.156 -19.254 13.165 No H/Q in entry = 11 In of MODEL 4 1 HA GLU 93 HA GLU 93 4.410 -18.277 11.218 2 HB2 GLU 93 HB2 GLU 93 4.897 -15.622 12.648 3 HG2 GLU 93 HG2 GLU 93 2.594 -15.737 11.860 4 H GLU 93 HN GLU 93 3.465 -17.271 13.809 5 HB3 GLU 93 HB1 GLU 93 5.507 -16.019 11.042 6 HG3 GLU 93 HG1 GLU 93 3.529 -14.613 10.875 No H/Q in entry = 6 In of MODEL 4 1 HA3 GLY 94 HA2 GLY 94 7.198 -19.717 15.266 2 H GLY 94 HN GLY 94 5.333 -18.544 14.436 3 HA2 GLY 94 HA1 GLY 94 8.073 -19.394 13.779 No H/Q in entry = 3 In of MODEL 4 1 HA ARG 95 HA ARG 95 9.288 -15.341 15.410 2 HB2 ARG 95 HB2 ARG 95 6.566 -14.044 14.933 3 HG2 ARG 95 HG2 ARG 95 8.968 -14.068 13.087 4 HD2 ARG 95 HD2 ARG 95 6.225 -12.804 12.761 5 HE ARG 95 HE ARG 95 8.007 -13.590 10.752 6 HH11 ARG 95 HH11 ARG 95 6.284 -10.670 11.701 7 HH12 ARG 95 HH12 ARG 95 6.240 -10.034 10.089 8 HH21 ARG 95 HH21 ARG 95 7.925 -12.743 8.652 9 HH22 ARG 95 HH22 ARG 95 7.189 -11.201 8.370 10 H ARG 95 HN ARG 95 6.883 -16.496 14.376 11 HB3 ARG 95 HB1 ARG 95 8.080 -13.186 15.207 12 HG3 ARG 95 HG1 ARG 95 7.461 -14.953 12.816 13 HD3 ARG 95 HD1 ARG 95 7.744 -11.931 13.019 No H/Q in entry = 13 In of MODEL 4 1 HA ARG 96 HA ARG 96 7.668 -16.017 19.620 2 HB2 ARG 96 HB2 ARG 96 10.704 -16.224 19.645 3 HG2 ARG 96 HG2 ARG 96 8.710 -18.447 20.186 4 HD2 ARG 96 HD2 ARG 96 11.600 -18.565 19.290 5 HE ARG 96 HE ARG 96 9.914 -20.732 20.412 6 HH11 ARG 96 HH11 ARG 96 12.271 -19.656 18.029 7 HH12 ARG 96 HH12 ARG 96 12.536 -21.245 17.405 8 HH21 ARG 96 HH21 ARG 96 10.296 -22.808 19.590 9 HH22 ARG 96 HH22 ARG 96 11.402 -23.026 18.275 10 H ARG 96 HN ARG 96 9.568 -16.152 17.504 11 HB3 ARG 96 HB1 ARG 96 9.687 -16.453 21.070 12 HG3 ARG 96 HG1 ARG 96 9.337 -18.132 18.564 13 HD3 ARG 96 HD1 ARG 96 11.088 -18.684 20.970 No H/Q in entry = 13 In of MODEL 4 1 HA3 GLY 97 HA2 GLY 97 8.558 -11.570 19.837 2 H GLY 97 HN GLY 97 9.839 -13.710 18.241 3 HA2 GLY 97 HA1 GLY 97 10.305 -11.551 19.574 No H/Q in entry = 3 In of MODEL 4 1 HA SER 98 HA SER 98 8.846 -9.563 15.790 2 HB2 SER 98 HB2 SER 98 10.931 -7.628 16.913 3 HG SER 98 HG SER 98 8.122 -7.292 16.782 4 H SER 98 HN SER 98 10.219 -9.600 18.364 5 HB3 SER 98 HB1 SER 98 9.936 -7.364 15.480 No H/Q in entry = 5 In of MODEL 4 1 HA ALA 99 HA ALA 99 11.987 -11.253 13.258 2 HB2 ALA 99 HB1 ALA 99 12.215 -10.237 11.014 3 HB3 ALA 99 HB2 ALA 99 11.365 -8.795 11.578 4 HB1 ALA 99 HB3 ALA 99 10.518 -10.342 11.503 5 H ALA 99 HN ALA 99 10.124 -9.189 13.765 No H/Q in entry = 5 In of MODEL 4 1 HA LYS 100 HA LYS 100 15.238 -7.698 13.398 2 HB2 LYS 100 HB2 LYS 100 15.192 -5.432 14.286 3 HG2 LYS 100 HG2 LYS 100 12.279 -5.875 14.999 4 HD2 LYS 100 HD2 LYS 100 12.672 -3.603 14.102 5 HE2 LYS 100 HE2 LYS 100 15.067 -3.326 14.615 6 HZ2 LYS 100 HZ1 LYS 100 15.186 -4.310 16.794 7 HZ1 LYS 100 HZ2 LYS 100 14.175 -3.115 17.438 8 HZ3 LYS 100 HZ3 LYS 100 15.712 -2.705 16.869 9 H LYS 100 HN LYS 100 12.412 -7.721 13.671 10 HB3 LYS 100 HB1 LYS 100 13.878 -5.649 13.137 11 HG3 LYS 100 HG1 LYS 100 13.590 -5.659 16.163 12 HD3 LYS 100 HD1 LYS 100 12.291 -3.570 15.825 13 HE3 LYS 100 HE1 LYS 100 14.099 -2.005 15.266 No H/Q in entry = 13 In of MODEL 4 1 HA TRP 101 HA TRP 101 15.016 -8.003 18.243 2 HB2 TRP 101 HB2 TRP 101 12.592 -8.019 18.743 3 HD1 TRP 101 HD1 TRP 101 14.091 -7.619 21.041 4 HE1 TRP 101 HE1 TRP 101 14.438 -9.156 23.070 5 HE3 TRP 101 HE3 TRP 101 12.590 -12.061 18.984 6 HZ2 TRP 101 HZ2 TRP 101 14.117 -11.868 23.728 7 HZ3 TRP 101 HZ3 TRP 101 12.637 -14.087 20.384 8 HH2 TRP 101 HH2 TRP 101 13.387 -13.993 22.717 9 H TRP 101 HN TRP 101 13.095 -8.167 16.187 10 HB3 TRP 101 HB1 TRP 101 12.465 -9.685 18.191 No H/Q in entry = 10 In of MODEL 4 1 HA MET 102 HA MET 102 15.519 -12.727 17.616 2 HB2 MET 102 HB2 MET 102 14.067 -12.816 14.950 3 HG2 MET 102 HG2 MET 102 13.328 -14.046 17.617 4 HE1 MET 102 HE1 MET 102 11.162 -12.904 14.515 5 HE3 MET 102 HE2 MET 102 10.944 -14.435 13.666 6 HE2 MET 102 HE3 MET 102 12.538 -13.685 13.735 7 H MET 102 HN MET 102 13.875 -10.784 16.331 8 HB3 MET 102 HB1 MET 102 14.862 -14.205 15.681 9 HG3 MET 102 HG1 MET 102 12.514 -12.682 16.852 No H/Q in entry = 9 In of MODEL 4 1 HA ALA 103 HA ALA 103 18.392 -11.836 13.903 2 HB2 ALA 103 HB1 ALA 103 18.634 -9.815 12.514 3 HB1 ALA 103 HB2 ALA 103 17.421 -8.983 13.494 4 HB3 ALA 103 HB3 ALA 103 16.961 -10.378 12.516 5 H ALA 103 HN ALA 103 16.131 -10.421 15.056 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 104 HA GLU 104 20.702 -8.576 16.415 2 HB2 GLU 104 HB2 GLU 104 18.354 -7.062 17.631 3 HG2 GLU 104 HG2 GLU 104 19.690 -6.563 14.961 4 H GLU 104 HN GLU 104 17.822 -9.205 16.197 5 HB3 GLU 104 HB1 GLU 104 20.006 -6.479 17.410 6 HG3 GLU 104 HG1 GLU 104 18.056 -7.142 15.182 No H/Q in entry = 6 In of MODEL 4 1 HA HIS 105 HA HIS 105 20.037 -10.709 20.380 2 HB2 HIS 105 HB2 HIS 105 16.977 -10.793 20.532 3 HD1 HIS 105 HD1 HIS 105 18.780 -8.865 23.068 4 HD2 HIS 105 HD2 HIS 105 16.795 -8.083 19.511 5 HE1 HIS 105 HE1 HIS 105 18.342 -6.399 23.071 6 HE2 HIS 105 HE2 HIS 105 16.988 -5.982 20.997 7 H HIS 105 HN HIS 105 18.289 -10.323 18.022 8 HB3 HIS 105 HB1 HIS 105 18.109 -10.971 21.868 No H/Q in entry = 8 In of MODEL 4 1 HA PRO 106 HA PRO 106 19.534 -14.549 17.721 2 HB2 PRO 106 HB2 PRO 106 22.112 -15.118 19.193 3 HG2 PRO 106 HG2 PRO 106 23.239 -13.312 18.201 4 HD2 PRO 106 HD2 PRO 106 21.929 -12.216 19.805 5 HB3 PRO 106 HB1 PRO 106 21.702 -15.372 17.488 6 HG3 PRO 106 HG1 PRO 106 22.007 -13.121 16.935 7 HD3 PRO 106 HD1 PRO 106 21.328 -11.404 18.351 No H/Q in entry = 7 In of MODEL 4 1 HA LEU 107 HA LEU 107 18.410 -17.140 21.176 2 HB2 LEU 107 HB2 LEU 107 16.337 -16.214 20.071 3 HG LEU 107 HG LEU 107 16.053 -19.134 20.891 4 HD12 LEU 107 HD11 LEU 107 15.317 -18.255 23.063 5 HD11 LEU 107 HD12 LEU 107 15.662 -16.611 22.527 6 HD13 LEU 107 HD13 LEU 107 16.975 -17.780 22.695 7 HD23 LEU 107 HD21 LEU 107 13.877 -17.040 20.576 8 HD22 LEU 107 HD22 LEU 107 13.670 -18.670 21.224 9 HD21 LEU 107 HD23 LEU 107 14.133 -18.448 19.539 10 H LEU 107 HN LEU 107 18.720 -16.509 18.289 11 HB3 LEU 107 HB1 LEU 107 16.371 -17.565 18.950 No H/Q in entry = 11 In of MODEL 4 1 HA ALA 108 HA ALA 108 20.070 -21.054 20.115 2 HB1 ALA 108 HB1 ALA 108 20.246 -20.997 22.570 3 HB2 ALA 108 HB2 ALA 108 19.908 -22.629 21.991 4 HB3 ALA 108 HB3 ALA 108 18.614 -21.664 22.708 5 H ALA 108 HN ALA 108 18.436 -19.342 21.734 No H/Q in entry = 5 In of MODEL 4 1 HA SER 109 HA SER 109 16.201 -23.098 18.699 2 HB2 SER 109 HB2 SER 109 14.245 -21.282 20.177 3 HG SER 109 HG SER 109 15.683 -22.331 21.580 4 H SER 109 HN SER 109 16.786 -20.469 19.935 5 HB3 SER 109 HB1 SER 109 13.876 -22.855 19.463 No H/Q in entry = 5 In of MODEL 5 1 H1 MET 1 HT2 MET 1 -9.612 -5.768 -2.508 2 H2 MET 1 HT1 MET 1 -10.869 -4.641 -2.435 3 H3 MET 1 HT3 MET 1 -10.823 -5.778 -3.689 4 HB3 MET 1 HB1 MET 1 -9.773 -2.613 -5.314 5 HG3 MET 1 HG1 MET 1 -10.581 -4.680 -6.436 6 HA MET 1 HA MET 1 -8.808 -4.812 -4.549 7 HB2 MET 1 HB2 MET 1 -11.053 -2.786 -4.117 8 HG2 MET 1 HG2 MET 1 -11.786 -3.391 -6.393 9 HE2 MET 1 HE1 MET 1 -12.402 -6.554 -6.998 10 HE1 MET 1 HE2 MET 1 -13.627 -5.285 -7.072 11 HE3 MET 1 HE3 MET 1 -13.913 -6.732 -6.105 No H/Q in entry = 11 In of MODEL 5 1 HA GLU 2 HA GLU 2 -6.657 -2.805 -1.223 2 HB2 GLU 2 HB2 GLU 2 -4.468 -3.419 -3.255 3 HG2 GLU 2 HG2 GLU 2 -5.489 -5.537 -2.717 4 H GLU 2 HN GLU 2 -6.881 -4.067 -3.823 5 HB3 GLU 2 HB1 GLU 2 -4.236 -3.029 -1.551 6 HG3 GLU 2 HG1 GLU 2 -3.949 -5.409 -1.874 No H/Q in entry = 6 In of MODEL 5 1 HA VAL 3 HA VAL 3 -5.404 1.206 -2.843 2 HB VAL 3 HB VAL 3 -7.891 1.136 -3.090 3 H VAL 3 HN VAL 3 -6.249 -0.682 -0.780 No H/Q in entry = 3 In of MODEL 5 1 HA SER 4 HA SER 4 -3.561 2.992 0.722 2 HB2 SER 4 HB2 SER 4 -2.425 5.190 0.089 3 HG SER 4 HG SER 4 -3.374 4.648 -2.516 4 H SER 4 HN SER 4 -4.625 3.200 -1.957 5 HB3 SER 4 HB1 SER 4 -2.057 3.818 -0.958 No H/Q in entry = 5 In of MODEL 5 1 HA ALA 5 HA ALA 5 -6.512 5.699 2.581 2 HB1 ALA 5 HB1 ALA 5 -8.873 4.972 2.593 3 HB3 ALA 5 HB2 ALA 5 -8.410 3.386 1.969 4 HB2 ALA 5 HB3 ALA 5 -8.187 4.827 0.974 5 H ALA 5 HN ALA 5 -5.551 3.001 1.884 No H/Q in entry = 5 In of MODEL 5 1 HA ASN 6 HA ASN 6 -6.500 3.666 6.551 2 HB2 ASN 6 HB2 ASN 6 -7.533 6.482 7.114 3 HD21 ASN 6 HD21 ASN 6 -5.295 6.861 8.902 4 HD22 ASN 6 HD22 ASN 6 -3.915 7.158 7.910 5 H ASN 6 HN ASN 6 -7.685 5.676 4.715 6 HB3 ASN 6 HB1 ASN 6 -6.904 5.385 8.339 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 7 HA GLU 7 -11.271 4.319 7.455 2 HB2 GLU 7 HB2 GLU 7 -13.057 4.600 5.750 3 HG2 GLU 7 HG2 GLU 7 -10.788 4.858 3.740 4 H GLU 7 HN GLU 7 -9.489 4.971 5.362 5 HB3 GLU 7 HB1 GLU 7 -11.868 5.901 5.696 6 HG3 GLU 7 HG1 GLU 7 -11.943 3.527 3.798 No H/Q in entry = 6 In of MODEL 5 1 HA LEU 8 HA LEU 8 -11.744 0.204 4.946 2 HB2 LEU 8 HB2 LEU 8 -9.715 -1.091 3.937 3 HG LEU 8 HG LEU 8 -8.514 1.704 3.935 4 HD12 LEU 8 HD11 LEU 8 -7.253 -0.938 4.682 5 HD11 LEU 8 HD12 LEU 8 -7.750 0.331 5.801 6 HD13 LEU 8 HD13 LEU 8 -6.446 0.634 4.655 7 HD22 LEU 8 HD21 LEU 8 -6.918 0.933 2.250 8 HD21 LEU 8 HD22 LEU 8 -8.570 0.905 1.641 9 HD23 LEU 8 HD23 LEU 8 -7.783 -0.602 2.118 10 H LEU 8 HN LEU 8 -9.887 2.347 4.954 11 HB3 LEU 8 HB1 LEU 8 -10.418 0.244 3.052 No H/Q in entry = 11 In of MODEL 5 1 HA GLU 9 HA GLU 9 -8.239 0.154 8.941 2 HB2 GLU 9 HB2 GLU 9 -9.752 -0.632 10.682 3 HG2 GLU 9 HG2 GLU 9 -12.015 -0.758 8.678 4 H GLU 9 HN GLU 9 -9.250 1.069 7.129 5 HB3 GLU 9 HB1 GLU 9 -10.487 0.712 9.822 6 HG3 GLU 9 HG1 GLU 9 -11.163 -2.191 9.251 No H/Q in entry = 6 In of MODEL 5 1 HA ALA 10 HA ALA 10 -8.426 -4.073 6.783 2 HB3 ALA 10 HB1 ALA 10 -6.609 -4.466 5.189 3 HB2 ALA 10 HB2 ALA 10 -5.871 -2.921 5.626 4 HB1 ALA 10 HB3 ALA 10 -7.448 -2.952 4.836 5 H ALA 10 HN ALA 10 -7.575 -1.394 6.804 No H/Q in entry = 5 In of MODEL 5 1 HA ALA 11 HA ALA 11 -4.641 -4.908 9.616 2 HB1 ALA 11 HB1 ALA 11 -4.803 -2.171 10.936 3 HB2 ALA 11 HB2 ALA 11 -3.588 -2.683 9.764 4 HB3 ALA 11 HB3 ALA 11 -3.656 -3.455 11.349 5 H ALA 11 HN ALA 11 -6.035 -2.528 8.776 No H/Q in entry = 5 In of MODEL 5 1 HA SER 12 HA SER 12 -7.577 -4.292 13.455 2 HB2 SER 12 HB2 SER 12 -8.264 -1.902 13.085 3 HG SER 12 HG SER 12 -9.299 -3.222 14.737 4 H SER 12 HN SER 12 -7.205 -2.852 11.022 5 HB3 SER 12 HB1 SER 12 -9.553 -2.454 12.017 No H/Q in entry = 5 In of MODEL 5 1 HA SER 13 HA SER 13 -11.286 -6.252 11.006 2 HB2 SER 13 HB2 SER 13 -11.576 -6.423 8.500 3 HG SER 13 HG SER 13 -9.854 -4.287 8.127 4 H SER 13 HN SER 13 -9.388 -4.272 10.385 5 HB3 SER 13 HB1 SER 13 -11.658 -4.773 9.113 No H/Q in entry = 5 In of MODEL 5 1 HA ARG 14 HA ARG 14 -7.867 -9.160 8.916 2 HB2 ARG 14 HB2 ARG 14 -6.094 -7.513 8.340 3 HG2 ARG 14 HG2 ARG 14 -4.022 -8.831 9.013 4 HD2 ARG 14 HD2 ARG 14 -4.590 -10.858 7.699 5 HE ARG 14 HE ARG 14 -5.133 -8.192 6.693 6 HH11 ARG 14 HH11 ARG 14 -4.851 -11.576 5.755 7 HH12 ARG 14 HH12 ARG 14 -4.493 -11.198 4.103 8 HH21 ARG 14 HH21 ARG 14 -4.669 -7.735 4.542 9 HH22 ARG 14 HH22 ARG 14 -4.393 -9.024 3.414 10 H ARG 14 HN ARG 14 -8.029 -6.439 9.517 11 HB3 ARG 14 HB1 ARG 14 -5.627 -7.423 10.028 12 HG3 ARG 14 HG1 ARG 14 -5.097 -9.927 9.883 13 HD3 ARG 14 HD1 ARG 14 -6.295 -10.391 7.735 No H/Q in entry = 13 In of MODEL 5 1 HA MET 15 HA MET 15 -6.262 -9.679 13.517 2 HB2 MET 15 HB2 MET 15 -7.956 -7.339 14.487 3 HG2 MET 15 HG2 MET 15 -5.875 -6.511 13.501 4 HE3 MET 15 HE1 MET 15 -4.545 -8.783 12.364 5 HE2 MET 15 HE2 MET 15 -2.841 -8.686 12.814 6 HE1 MET 15 HE3 MET 15 -3.716 -7.228 12.344 7 H MET 15 HN MET 15 -7.225 -7.523 12.018 8 HB3 MET 15 HB1 MET 15 -7.048 -8.429 15.531 9 HG3 MET 15 HG1 MET 15 -5.885 -6.309 15.244 No H/Q in entry = 9 In of MODEL 5 1 HA GLU 16 HA GLU 16 -10.955 -10.430 14.691 2 HB2 GLU 16 HB2 GLU 16 -11.962 -8.827 12.302 3 HG2 GLU 16 HG2 GLU 16 -12.209 -8.134 15.235 4 H GLU 16 HN GLU 16 -9.595 -8.465 13.187 5 HB3 GLU 16 HB1 GLU 16 -12.981 -9.654 13.479 6 HG3 GLU 16 HG1 GLU 16 -11.123 -7.337 14.091 No H/Q in entry = 6 In of MODEL 5 1 HA MET 17 HA MET 17 -11.474 -12.587 10.338 2 HB2 MET 17 HB2 MET 17 -8.924 -11.325 9.234 3 HG2 MET 17 HG2 MET 17 -10.905 -9.864 9.048 4 HE2 MET 17 HE1 MET 17 -12.587 -9.642 6.278 5 HE1 MET 17 HE2 MET 17 -13.142 -9.045 7.844 6 HE3 MET 17 HE3 MET 17 -14.176 -10.104 6.885 7 H MET 17 HN MET 17 -10.017 -10.338 11.266 8 HB3 MET 17 HB1 MET 17 -9.813 -12.609 8.420 9 HG3 MET 17 HG1 MET 17 -10.296 -10.393 7.482 No H/Q in entry = 9 In of MODEL 5 1 HA LEU 18 HA LEU 18 -7.355 -14.972 11.091 2 HB2 LEU 18 HB2 LEU 18 -6.144 -12.911 12.975 3 HG LEU 18 HG LEU 18 -6.032 -12.069 10.658 4 HD13 LEU 18 HD11 LEU 18 -3.615 -11.708 10.499 5 HD12 LEU 18 HD12 LEU 18 -3.334 -12.990 11.680 6 HD11 LEU 18 HD13 LEU 18 -4.197 -11.525 12.154 7 HD22 LEU 18 HD21 LEU 18 -4.775 -13.259 8.911 8 HD21 LEU 18 HD22 LEU 18 -6.204 -14.154 9.418 9 HD23 LEU 18 HD23 LEU 18 -4.605 -14.657 9.976 10 H LEU 18 HN LEU 18 -8.144 -12.265 11.589 11 HB3 LEU 18 HB1 LEU 18 -5.365 -14.412 12.486 No H/Q in entry = 11 In of MODEL 5 1 HA GLN 19 HA GLN 19 -8.506 -15.209 15.842 2 HB2 GLN 19 HB2 GLN 19 -10.472 -12.924 15.449 3 HG2 GLN 19 HG2 GLN 19 -8.223 -13.214 17.458 4 HE21 GLN 19 HE21 GLN 19 -7.647 -10.371 16.854 5 HE22 GLN 19 HE22 GLN 19 -8.816 -9.476 17.758 6 H GLN 19 HN GLN 19 -8.757 -13.253 13.814 7 HB3 GLN 19 HB1 GLN 19 -10.465 -13.924 16.901 8 HG3 GLN 19 HG1 GLN 19 -8.068 -12.349 15.931 No H/Q in entry = 8 In of MODEL 5 1 HA ARG 20 HA ARG 20 -12.764 -16.719 14.486 2 HB2 ARG 20 HB2 ARG 20 -14.434 -15.955 12.933 3 HG2 ARG 20 HG2 ARG 20 -12.312 -14.261 11.578 4 HD2 ARG 20 HD2 ARG 20 -14.231 -13.697 9.996 5 HE ARG 20 HE ARG 20 -13.547 -11.943 11.453 6 HH11 ARG 20 HH11 ARG 20 -16.277 -13.726 12.785 7 HH12 ARG 20 HH12 ARG 20 -16.831 -12.377 13.721 8 HH21 ARG 20 HH21 ARG 20 -14.313 -10.195 12.657 9 HH22 ARG 20 HH22 ARG 20 -15.725 -10.378 13.644 10 H ARG 20 HN ARG 20 -11.083 -14.574 13.472 11 HB3 ARG 20 HB1 ARG 20 -13.690 -14.531 13.646 12 HG3 ARG 20 HG1 ARG 20 -13.165 -15.631 10.862 13 HD3 ARG 20 HD1 ARG 20 -15.331 -14.296 11.241 No H/Q in entry = 13 In of MODEL 5 1 HA GLU 21 HA GLU 21 -11.231 -18.464 10.260 2 HB2 GLU 21 HB2 GLU 21 -9.894 -16.452 9.487 3 HG2 GLU 21 HG2 GLU 21 -8.226 -17.634 8.060 4 H GLU 21 HN GLU 21 -10.405 -16.295 11.966 5 HB3 GLU 21 HB1 GLU 21 -8.512 -17.080 10.372 6 HG3 GLU 21 HG1 GLU 21 -8.587 -19.128 8.930 No H/Q in entry = 6 In of MODEL 5 1 HA TYR 22 HA TYR 22 -7.756 -20.848 12.311 2 HB2 TYR 22 HB2 TYR 22 -6.118 -18.553 13.484 3 HD1 TYR 22 HD1 TYR 22 -5.487 -16.979 11.825 4 HD2 TYR 22 HD2 TYR 22 -5.752 -21.108 10.750 5 HE1 TYR 22 HE1 TYR 22 -4.633 -16.454 9.579 6 HE2 TYR 22 HE2 TYR 22 -4.899 -20.577 8.513 7 HH TYR 22 HH TYR 22 -4.767 -18.654 6.999 8 H TYR 22 HN TYR 22 -8.322 -17.977 12.298 9 HB3 TYR 22 HB1 TYR 22 -5.578 -20.216 13.263 No H/Q in entry = 9 In of MODEL 5 1 HA SER 23 HA SER 23 -9.185 -19.528 16.778 2 HB2 SER 23 HB2 SER 23 -6.293 -20.478 17.136 3 HG SER 23 HG SER 23 -8.673 -21.734 16.472 4 H SER 23 HN SER 23 -7.287 -18.495 14.937 5 HB3 SER 23 HB1 SER 23 -7.511 -20.545 18.411 No H/Q in entry = 5 In of MODEL 5 1 HA THR 24 HA THR 24 -7.237 -16.133 19.014 2 HB THR 24 HB THR 24 -8.695 -15.462 20.934 3 HG1 THR 24 HG1 THR 24 -10.541 -16.634 21.411 4 HG22 THR 24 HG21 THR 24 -10.290 -15.987 18.404 5 HG21 THR 24 HG22 THR 24 -9.241 -14.595 18.687 6 HG23 THR 24 HG23 THR 24 -10.690 -14.816 19.665 7 H THR 24 HN THR 24 -9.163 -18.333 18.708 No H/Q in entry = 7 In of MODEL 5 1 HA LEU 25 HA LEU 25 -5.709 -18.499 22.555 2 HB2 LEU 25 HB2 LEU 25 -4.117 -16.445 22.149 3 HG LEU 25 HG LEU 25 -4.076 -17.671 24.936 4 HD11 LEU 25 HD11 LEU 25 -4.111 -19.415 23.215 5 HD13 LEU 25 HD12 LEU 25 -2.542 -19.327 24.002 6 HD12 LEU 25 HD13 LEU 25 -2.750 -18.646 22.387 7 HD23 LEU 25 HD21 LEU 25 -1.674 -17.142 24.888 8 HD22 LEU 25 HD22 LEU 25 -2.655 -15.684 24.763 9 HD21 LEU 25 HD23 LEU 25 -1.870 -16.345 23.324 10 H LEU 25 HN LEU 25 -6.502 -15.895 21.417 11 HB3 LEU 25 HB1 LEU 25 -4.875 -15.767 23.580 No H/Q in entry = 11 In of MODEL 5 1 HA ARG 26 HA ARG 26 -9.035 -17.672 25.410 2 HB2 ARG 26 HB2 ARG 26 -9.978 -19.781 26.290 3 HG2 ARG 26 HG2 ARG 26 -7.716 -21.228 24.884 4 HD2 ARG 26 HD2 ARG 26 -9.976 -22.388 24.842 5 HE ARG 26 HE ARG 26 -10.433 -21.703 27.326 6 HH11 ARG 26 HH11 ARG 26 -9.408 -24.902 26.256 7 HH12 ARG 26 HH12 ARG 26 -10.266 -25.717 27.518 8 HH21 ARG 26 HH21 ARG 26 -11.531 -22.785 28.954 9 HH22 ARG 26 HH22 ARG 26 -11.475 -24.520 29.051 10 H ARG 26 HN ARG 26 -6.942 -19.341 24.192 11 HB3 ARG 26 HB1 ARG 26 -9.733 -19.867 24.555 12 HG3 ARG 26 HG1 ARG 26 -7.890 -21.096 26.632 13 HD3 ARG 26 HD1 ARG 26 -8.655 -23.282 25.605 No H/Q in entry = 13 In of MODEL 5 1 HA SER 27 HA SER 27 -5.877 -18.090 28.867 2 HB2 SER 27 HB2 SER 27 -6.434 -21.097 28.885 3 HG SER 27 HG SER 27 -7.917 -18.866 29.556 4 H SER 27 HN SER 27 -6.171 -19.522 26.369 5 HB3 SER 27 HB1 SER 27 -5.813 -20.194 30.267 No H/Q in entry = 5 In of MODEL 5 1 HA VAL 28 HA VAL 28 -1.871 -20.241 28.468 2 HB VAL 28 HB VAL 28 -1.324 -17.455 29.613 3 H VAL 28 HN VAL 28 -3.862 -18.613 29.926 No H/Q in entry = 3 In of MODEL 5 1 HA GLN 29 HA GLN 29 -0.235 -20.474 32.698 2 HB2 GLN 29 HB2 GLN 29 -0.774 -22.663 33.571 3 HG2 GLN 29 HG2 GLN 29 -1.134 -23.637 30.721 4 HE21 GLN 29 HE21 GLN 29 -3.310 -23.593 32.614 5 HE22 GLN 29 HE22 GLN 29 -3.689 -25.230 32.993 6 H GLN 29 HN GLN 29 -0.296 -21.187 29.885 7 HB3 GLN 29 HB1 GLN 29 -2.081 -22.172 32.499 8 HG3 GLN 29 HG1 GLN 29 0.104 -24.176 31.852 No H/Q in entry = 8 In of MODEL 5 1 HA TYR 30 HA TYR 30 3.904 -21.907 31.902 2 HB2 TYR 30 HB2 TYR 30 4.518 -19.823 32.990 3 HD1 TYR 30 HD1 TYR 30 5.762 -21.049 36.027 4 HD2 TYR 30 HD2 TYR 30 6.355 -21.514 31.829 5 HE1 TYR 30 HE1 TYR 30 8.028 -21.924 36.435 6 HE2 TYR 30 HE2 TYR 30 8.611 -22.376 32.234 7 HH TYR 30 HH TYR 30 10.357 -22.276 33.982 8 H TYR 30 HN TYR 30 1.805 -20.687 33.510 9 HB3 TYR 30 HB1 TYR 30 3.993 -20.421 34.563 No H/Q in entry = 9 In of MODEL 5 1 HA ARG 31 HA ARG 31 3.623 -25.544 34.463 2 HB2 ARG 31 HB2 ARG 31 4.369 -26.511 31.665 3 HG2 ARG 31 HG2 ARG 31 1.641 -26.385 32.987 4 HD2 ARG 31 HD2 ARG 31 0.764 -27.292 30.858 5 HE ARG 31 HE ARG 31 2.434 -28.984 32.547 6 HH11 ARG 31 HH11 ARG 31 -0.053 -28.900 30.048 7 HH12 ARG 31 HH12 ARG 31 -0.492 -30.560 30.285 8 HH21 ARG 31 HH21 ARG 31 1.847 -31.139 32.841 9 HH22 ARG 31 HH22 ARG 31 0.578 -31.824 31.877 10 H ARG 31 HN ARG 31 4.209 -24.007 32.025 11 HB3 ARG 31 HB1 ARG 31 3.858 -27.532 33.013 12 HG3 ARG 31 HG1 ARG 31 2.164 -25.444 31.590 13 HD3 ARG 31 HD1 ARG 31 2.415 -27.556 30.299 No H/Q in entry = 13 In of MODEL 5 1 HA SER 32 HA SER 32 7.989 -24.807 35.154 2 HB2 SER 32 HB2 SER 32 8.386 -25.152 37.623 3 HG SER 32 HG SER 32 7.032 -26.495 38.519 4 H SER 32 HN SER 32 5.287 -25.388 35.848 5 HB3 SER 32 HB1 SER 32 7.052 -24.052 37.275 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 33 HA GLU 33 8.392 -29.554 36.252 2 HB2 GLU 33 HB2 GLU 33 5.901 -29.967 36.687 3 HG2 GLU 33 HG2 GLU 33 5.889 -32.379 36.026 4 H GLU 33 HN GLU 33 6.249 -27.767 35.877 5 HB3 GLU 33 HB1 GLU 33 5.726 -30.244 34.960 6 HG3 GLU 33 HG1 GLU 33 7.391 -32.112 35.140 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 34 HA GLU 34 8.287 -30.013 31.493 2 HB2 GLU 34 HB2 GLU 34 6.408 -27.680 30.953 3 HG2 GLU 34 HG2 GLU 34 5.198 -29.388 32.262 4 H GLU 34 HN GLU 34 6.740 -28.436 33.375 5 HB3 GLU 34 HB1 GLU 34 6.920 -28.917 29.805 6 HG3 GLU 34 HG1 GLU 34 4.589 -29.216 30.610 No H/Q in entry = 6 In of MODEL 5 1 HA3 GLY 35 HA2 GLY 35 10.016 -25.207 32.952 2 H GLY 35 HN GLY 35 8.497 -26.923 33.038 3 HA2 GLY 35 HA1 GLY 35 10.997 -26.191 31.875 No H/Q in entry = 3 In of MODEL 5 1 HA VAL 36 HA VAL 36 8.434 -23.537 28.985 2 HB VAL 36 HB VAL 36 7.119 -24.642 27.279 3 H VAL 36 HN VAL 36 7.694 -25.533 31.047 No H/Q in entry = 3 In of MODEL 5 1 HA ILE 37 HA ILE 37 4.232 -22.211 29.930 2 HB ILE 37 HB ILE 37 5.144 -20.225 27.799 3 HD13 ILE 37 HD11 ILE 37 7.019 -18.191 30.346 4 HD12 ILE 37 HD12 ILE 37 5.293 -17.934 30.119 5 HD11 ILE 37 HD13 ILE 37 6.351 -18.136 28.719 6 H ILE 37 HN ILE 37 6.522 -22.477 28.095 No H/Q in entry = 6 In of MODEL 5 1 HA VAL 38 HA VAL 38 2.043 -23.712 26.363 2 HB VAL 38 HB VAL 38 0.563 -24.660 28.853 3 H VAL 38 HN VAL 38 2.403 -23.039 29.187 No H/Q in entry = 3 In of MODEL 5 1 HA PHE 39 HA PHE 39 -0.890 -20.324 26.165 2 HB2 PHE 39 HB2 PHE 39 0.400 -20.656 23.405 3 HD1 PHE 39 HD1 PHE 39 0.151 -17.495 25.198 4 HD2 PHE 39 HD2 PHE 39 2.694 -20.836 24.387 5 HE1 PHE 39 HE1 PHE 39 2.080 -16.228 26.045 6 HE2 PHE 39 HE2 PHE 39 4.616 -19.576 25.246 7 HZ PHE 39 HZ PHE 39 4.313 -17.264 26.075 8 H PHE 39 HN PHE 39 1.236 -22.072 25.286 9 HB3 PHE 39 HB1 PHE 39 -0.664 -19.338 23.893 No H/Q in entry = 9 In of MODEL 5 1 HA ILE 40 HA ILE 40 -3.598 -23.626 24.742 2 HB ILE 40 HB ILE 40 -5.107 -22.246 27.010 3 HD12 ILE 40 HD11 ILE 40 -5.141 -24.931 28.773 4 HD11 ILE 40 HD12 ILE 40 -4.747 -23.319 29.379 5 HD13 ILE 40 HD13 ILE 40 -3.582 -24.633 29.542 6 H ILE 40 HN ILE 40 -2.743 -21.467 26.477 No H/Q in entry = 6 In of MODEL 5 1 HA LEU 41 HA LEU 41 -5.568 -20.779 21.952 2 HB2 LEU 41 HB2 LEU 41 -5.433 -23.542 20.691 3 HG LEU 41 HG LEU 41 -3.225 -22.425 20.786 4 HD13 LEU 41 HD11 LEU 41 -2.650 -22.428 18.402 5 HD12 LEU 41 HD12 LEU 41 -4.362 -22.403 17.969 6 HD11 LEU 41 HD13 LEU 41 -3.681 -23.796 18.809 7 HD22 LEU 41 HD21 LEU 41 -2.841 -20.289 19.644 8 HD21 LEU 41 HD22 LEU 41 -3.973 -20.116 20.979 9 HD23 LEU 41 HD23 LEU 41 -4.570 -20.142 19.317 10 H LEU 41 HN LEU 41 -4.486 -23.261 22.857 11 HB3 LEU 41 HB1 LEU 41 -6.117 -22.154 19.860 No H/Q in entry = 11 In of MODEL 5 1 HA ALA 42 HA ALA 42 -9.866 -21.096 22.504 2 HB3 ALA 42 HB1 ALA 42 -11.245 -20.275 20.650 3 HB1 ALA 42 HB2 ALA 42 -9.905 -20.532 19.524 4 HB2 ALA 42 HB3 ALA 42 -9.763 -19.328 20.807 5 H ALA 42 HN ALA 42 -7.690 -20.704 20.770 No H/Q in entry = 5 In of MODEL 5 1 HA ASN 43 HA ASN 43 -10.776 -25.111 20.257 2 HB2 ASN 43 HB2 ASN 43 -9.768 -26.260 18.376 3 HD21 ASN 43 HD21 ASN 43 -7.743 -23.388 18.143 4 HD22 ASN 43 HD22 ASN 43 -6.257 -24.238 17.930 5 H ASN 43 HN ASN 43 -8.510 -23.224 20.117 6 HB3 ASN 43 HB1 ASN 43 -9.774 -24.544 18.003 No H/Q in entry = 6 In of MODEL 5 1 HA ASP 44 HA ASP 44 -7.763 -25.352 24.191 2 HB2 ASP 44 HB2 ASP 44 -9.831 -26.801 24.095 3 H ASP 44 HN ASP 44 -8.728 -24.415 22.395 4 HB3 ASP 44 HB1 ASP 44 -8.905 -28.000 23.205 No H/Q in entry = 4 In of MODEL 5 1 HA ARG 45 HA ARG 45 -4.589 -27.626 21.493 2 HB2 ARG 45 HB2 ARG 45 -5.334 -26.534 19.349 3 HG2 ARG 45 HG2 ARG 45 -2.340 -26.619 19.818 4 HD2 ARG 45 HD2 ARG 45 -3.912 -26.387 17.243 5 HE ARG 45 HE ARG 45 -2.395 -28.070 16.685 6 HH11 ARG 45 HH11 ARG 45 -0.678 -25.230 17.892 7 HH12 ARG 45 HH12 ARG 45 0.860 -25.776 17.309 8 HH21 ARG 45 HH21 ARG 45 -0.379 -28.769 15.966 9 HH22 ARG 45 HH22 ARG 45 1.028 -27.792 16.227 10 H ARG 45 HN ARG 45 -6.382 -25.353 21.448 11 HB3 ARG 45 HB1 ARG 45 -4.372 -25.126 19.777 12 HG3 ARG 45 HG1 ARG 45 -3.358 -27.933 19.223 13 HD3 ARG 45 HD1 ARG 45 -2.582 -25.362 17.818 No H/Q in entry = 13 In of MODEL 5 1 HA GLU 46 HA GLU 46 -1.727 -25.592 24.164 2 HB2 GLU 46 HB2 GLU 46 -0.735 -28.440 23.743 3 HG2 GLU 46 HG2 GLU 46 -2.327 -27.263 26.045 4 H GLU 46 HN GLU 46 -2.722 -27.750 22.543 5 HB3 GLU 46 HB1 GLU 46 -0.115 -27.327 24.963 6 HG3 GLU 46 HG1 GLU 46 -2.977 -28.344 24.812 No H/Q in entry = 6 In of MODEL 5 1 HA LEU 47 HA LEU 47 1.519 -24.643 21.160 2 HB2 LEU 47 HB2 LEU 47 0.202 -22.080 22.072 3 HG LEU 47 HG LEU 47 -0.574 -23.052 19.895 4 HD12 LEU 47 HD11 LEU 47 0.989 -20.455 19.583 5 HD11 LEU 47 HD12 LEU 47 -0.649 -20.610 20.223 6 HD13 LEU 47 HD13 LEU 47 -0.324 -21.010 18.540 7 HD22 LEU 47 HD21 LEU 47 0.972 -23.164 17.985 8 HD21 LEU 47 HD22 LEU 47 1.535 -24.201 19.297 9 HD23 LEU 47 HD23 LEU 47 2.314 -22.641 19.011 10 H LEU 47 HN LEU 47 -0.776 -24.001 22.823 11 HB3 LEU 47 HB1 LEU 47 1.842 -22.012 21.451 No H/Q in entry = 11 In of MODEL 5 1 HA LYS 48 HA LYS 48 3.937 -24.603 24.858 2 HB2 LYS 48 HB2 LYS 48 3.206 -26.896 24.111 3 HG2 LYS 48 HG2 LYS 48 6.068 -27.044 25.091 4 HD2 LYS 48 HD2 LYS 48 3.649 -28.838 25.547 5 HE2 LYS 48 HE2 LYS 48 6.473 -29.265 26.572 6 HZ3 LYS 48 HZ1 LYS 48 5.411 -30.971 27.909 7 HZ2 LYS 48 HZ2 LYS 48 5.217 -31.281 26.258 8 HZ1 LYS 48 HZ3 LYS 48 3.928 -30.661 27.157 9 H LYS 48 HN LYS 48 3.569 -24.897 21.931 10 HB3 LYS 48 HB1 LYS 48 4.653 -27.010 23.121 11 HG3 LYS 48 HG1 LYS 48 4.701 -26.641 26.133 12 HD3 LYS 48 HD1 LYS 48 5.076 -29.242 24.589 13 HE3 LYS 48 HE1 LYS 48 5.166 -28.621 27.566 No H/Q in entry = 13 In of MODEL 5 1 HA PHE 49 HA PHE 49 8.004 -23.265 23.557 2 HB2 PHE 49 HB2 PHE 49 6.354 -20.703 23.841 3 HD1 PHE 49 HD1 PHE 49 8.412 -21.652 20.940 4 HD2 PHE 49 HD2 PHE 49 4.430 -21.419 22.489 5 HE1 PHE 49 HE1 PHE 49 7.505 -21.949 18.670 6 HE2 PHE 49 HE2 PHE 49 3.535 -21.718 20.216 7 HZ PHE 49 HZ PHE 49 5.070 -21.985 18.308 8 H PHE 49 HN PHE 49 5.412 -23.037 24.978 9 HB3 PHE 49 HB1 PHE 49 7.988 -20.791 23.200 No H/Q in entry = 9 In of MODEL 5 1 HA ARG 50 HA ARG 50 9.381 -22.540 27.666 2 HB2 ARG 50 HB2 ARG 50 11.898 -21.921 26.077 3 HG2 ARG 50 HG2 ARG 50 11.053 -24.600 27.230 4 HD2 ARG 50 HD2 ARG 50 13.479 -24.332 27.348 5 HE ARG 50 HE ARG 50 13.236 -22.986 24.831 6 HH11 ARG 50 HH11 ARG 50 15.495 -24.952 26.688 7 HH12 ARG 50 HH12 ARG 50 16.882 -24.283 25.894 8 HH21 ARG 50 HH21 ARG 50 15.062 -22.121 23.839 9 HH22 ARG 50 HH22 ARG 50 16.641 -22.695 24.277 10 H ARG 50 HN ARG 50 9.773 -22.459 24.806 11 HB3 ARG 50 HB1 ARG 50 11.836 -22.329 27.792 12 HG3 ARG 50 HG1 ARG 50 11.056 -24.186 25.512 13 HD3 ARG 50 HD1 ARG 50 13.065 -25.451 26.045 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 51 HA PRO 51 9.372 -18.087 28.700 2 HB2 PRO 51 HB2 PRO 51 11.435 -18.799 30.771 3 HG2 PRO 51 HG2 PRO 51 10.093 -20.426 31.788 4 HD2 PRO 51 HD2 PRO 51 10.891 -21.520 29.868 5 HB3 PRO 51 HB1 PRO 51 9.918 -17.902 30.958 6 HG3 PRO 51 HG1 PRO 51 8.622 -19.859 30.968 7 HD3 PRO 51 HD1 PRO 51 9.138 -21.697 29.622 No H/Q in entry = 7 In of MODEL 5 1 HA ASP 52 HA ASP 52 13.938 -17.337 27.884 2 HB2 ASP 52 HB2 ASP 52 15.925 -18.782 27.795 3 H ASP 52 HN ASP 52 12.469 -19.786 28.421 4 HB3 ASP 52 HB1 ASP 52 15.003 -19.051 29.262 No H/Q in entry = 4 In of MODEL 5 1 HA ASP 53 HA ASP 53 13.431 -18.882 23.523 2 HB2 ASP 53 HB2 ASP 53 10.744 -20.039 24.266 3 H ASP 53 HN ASP 53 11.874 -18.964 26.006 4 HB3 ASP 53 HB1 ASP 53 11.058 -19.660 22.581 No H/Q in entry = 4 In of MODEL 5 1 HA LEU 54 HA LEU 54 10.050 -15.826 22.522 2 HB2 LEU 54 HB2 LEU 54 8.449 -15.741 25.089 3 HG LEU 54 HG LEU 54 8.696 -18.143 24.415 4 HD11 LEU 54 HD11 LEU 54 6.675 -17.368 25.544 5 HD13 LEU 54 HD12 LEU 54 6.325 -18.666 24.410 6 HD12 LEU 54 HD13 LEU 54 5.925 -16.999 23.987 7 HD22 LEU 54 HD21 LEU 54 9.040 -17.883 22.021 8 HD21 LEU 54 HD22 LEU 54 7.412 -17.238 21.816 9 HD23 LEU 54 HD23 LEU 54 7.643 -18.913 22.316 10 H LEU 54 HN LEU 54 10.728 -17.152 25.079 11 HB3 LEU 54 HB1 LEU 54 7.898 -15.359 23.464 No H/Q in entry = 11 In of MODEL 5 1 HA GLN 55 HA GLN 55 11.089 -11.654 23.343 2 HB2 GLN 55 HB2 GLN 55 9.427 -11.336 21.586 3 HG2 GLN 55 HG2 GLN 55 8.218 -9.226 22.198 4 HE21 GLN 55 HE21 GLN 55 10.955 -8.841 24.244 5 HE22 GLN 55 HE22 GLN 55 11.979 -8.091 23.076 6 H GLN 55 HN GLN 55 9.383 -13.634 22.529 7 HB3 GLN 55 HB1 GLN 55 8.108 -11.538 22.719 8 HG3 GLN 55 HG1 GLN 55 8.853 -9.397 23.833 No H/Q in entry = 8 In of MODEL 5 1 HA ALA 56 HA ALA 56 8.128 -10.118 26.797 2 HB2 ALA 56 HB1 ALA 56 5.928 -10.819 25.895 3 HB3 ALA 56 HB2 ALA 56 5.971 -10.990 27.653 4 HB1 ALA 56 HB3 ALA 56 6.126 -12.415 26.617 5 H ALA 56 HN ALA 56 7.804 -11.989 24.728 No H/Q in entry = 5 In of MODEL 5 1 HA THR 57 HA THR 57 8.258 -13.964 29.595 2 HB THR 57 HB THR 57 8.558 -16.361 29.037 3 HG1 THR 57 HG1 THR 57 10.026 -15.755 27.142 4 HG22 THR 57 HG21 THR 57 6.698 -14.946 27.097 5 HG21 THR 57 HG22 THR 57 6.308 -15.349 28.771 6 HG23 THR 57 HG23 THR 57 6.583 -16.639 27.590 7 H THR 57 HN THR 57 8.398 -13.621 26.764 No H/Q in entry = 7 In of MODEL 5 1 HA TYR 58 HA TYR 58 12.920 -14.835 28.716 2 HB2 TYR 58 HB2 TYR 58 12.965 -14.068 26.249 3 HD1 TYR 58 HD1 TYR 58 14.597 -15.900 26.436 4 HD2 TYR 58 HD2 TYR 58 15.602 -12.002 27.847 5 HE1 TYR 58 HE1 TYR 58 16.950 -16.570 26.591 6 HE2 TYR 58 HE2 TYR 58 17.966 -12.665 27.994 7 HH TYR 58 HH TYR 58 19.276 -14.775 28.264 8 H TYR 58 HN TYR 58 10.860 -13.369 27.384 9 HB3 TYR 58 HB1 TYR 58 13.361 -12.460 26.854 No H/Q in entry = 9 In of MODEL 5 1 HA3 GLY 59 HA2 GLY 59 14.785 -13.059 32.256 2 H GLY 59 HN GLY 59 13.584 -14.342 30.693 3 HA2 GLY 59 HA1 GLY 59 14.281 -11.582 31.452 No H/Q in entry = 3 In of MODEL 5 1 HA ALA 60 HA ALA 60 10.534 -11.884 33.973 2 HB2 ALA 60 HB1 ALA 60 9.176 -11.768 31.920 3 HB3 ALA 60 HB2 ALA 60 8.302 -12.599 33.208 4 HB1 ALA 60 HB3 ALA 60 9.033 -13.529 31.895 5 H ALA 60 HN ALA 60 11.491 -13.145 31.534 No H/Q in entry = 5 In of MODEL 5 1 HA THR 61 HA THR 61 10.991 -15.572 36.372 2 HB THR 61 HB THR 61 9.983 -15.126 38.696 3 HG1 THR 61 HG1 THR 61 9.334 -12.894 38.994 4 HG21 THR 61 HG21 THR 61 12.353 -14.560 38.244 5 HG23 THR 61 HG22 THR 61 11.608 -13.403 39.347 6 HG22 THR 61 HG23 THR 61 11.862 -12.969 37.655 7 H THR 61 HN THR 61 10.009 -12.918 35.845 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 62 HA PRO 62 7.406 -18.276 35.828 2 HB2 PRO 62 HB2 PRO 62 7.212 -19.320 38.493 3 HG2 PRO 62 HG2 PRO 62 9.072 -18.222 39.357 4 HD2 PRO 62 HD2 PRO 62 10.624 -17.122 37.982 5 HB3 PRO 62 HB1 PRO 62 8.116 -20.013 37.148 6 HG3 PRO 62 HG1 PRO 62 9.896 -19.596 38.589 7 HD3 PRO 62 HD1 PRO 62 10.485 -18.331 36.682 No H/Q in entry = 7 In of MODEL 5 1 HA GLU 63 HA GLU 63 4.560 -16.322 39.224 2 HB2 GLU 63 HB2 GLU 63 5.003 -14.508 40.841 3 HG2 GLU 63 HG2 GLU 63 7.790 -14.435 39.658 4 H GLU 63 HN GLU 63 7.376 -16.194 38.703 5 HB3 GLU 63 HB1 GLU 63 6.186 -15.804 40.994 6 HG3 GLU 63 HG1 GLU 63 6.610 -13.127 39.640 No H/Q in entry = 6 In of MODEL 5 1 HA GLN 64 HA GLN 64 4.580 -12.222 36.681 2 HB2 GLN 64 HB2 GLN 64 7.301 -12.792 35.414 3 HG2 GLN 64 HG2 GLN 64 6.437 -10.627 37.349 4 HE21 GLN 64 HE21 GLN 64 7.993 -9.083 37.898 5 HE22 GLN 64 HE22 GLN 64 9.350 -8.740 36.888 6 H GLN 64 HN GLN 64 6.633 -14.123 37.371 7 HB3 GLN 64 HB1 GLN 64 6.275 -11.420 35.003 8 HG3 GLN 64 HG1 GLN 64 7.529 -11.963 37.702 No H/Q in entry = 8 In of MODEL 5 1 HA LEU 65 HA LEU 65 3.918 -15.232 33.092 2 HB2 LEU 65 HB2 LEU 65 5.723 -17.432 34.245 3 HG LEU 65 HG LEU 65 7.046 -15.346 33.687 4 HD11 LEU 65 HD11 LEU 65 7.610 -17.766 31.960 5 HD13 LEU 65 HD12 LEU 65 8.141 -17.497 33.619 6 HD12 LEU 65 HD13 LEU 65 8.751 -16.470 32.325 7 HD23 LEU 65 HD21 LEU 65 6.062 -15.826 30.851 8 HD22 LEU 65 HD22 LEU 65 7.297 -14.663 31.342 9 HD21 LEU 65 HD23 LEU 65 5.639 -14.462 31.891 10 H LEU 65 HN LEU 65 5.479 -15.329 35.621 11 HB3 LEU 65 HB1 LEU 65 5.041 -17.375 32.621 No H/Q in entry = 11 In of MODEL 5 1 HA ARG 66 HA ARG 66 0.947 -17.333 35.746 2 HB2 ARG 66 HB2 ARG 66 1.929 -15.879 38.244 3 HG2 ARG 66 HG2 ARG 66 2.019 -18.787 37.422 4 HD2 ARG 66 HD2 ARG 66 2.821 -17.656 40.113 5 HE ARG 66 HE ARG 66 3.538 -20.032 39.044 6 HH11 ARG 66 HH11 ARG 66 1.352 -19.236 41.690 7 HH12 ARG 66 HH12 ARG 66 1.667 -20.715 42.538 8 HH21 ARG 66 HH21 ARG 66 3.909 -21.979 40.167 9 HH22 ARG 66 HH22 ARG 66 3.104 -22.267 41.676 10 H ARG 66 HN ARG 66 2.959 -15.173 35.986 11 HB3 ARG 66 HB1 ARG 66 0.495 -16.909 38.205 12 HG3 ARG 66 HG1 ARG 66 3.374 -17.730 37.786 13 HD3 ARG 66 HD1 ARG 66 1.256 -18.431 39.832 No H/Q in entry = 13 In of MODEL 5 1 HA GLU 67 HA GLU 67 -1.291 -13.259 36.374 2 HB2 GLU 67 HB2 GLU 67 1.039 -11.320 36.621 3 HG2 GLU 67 HG2 GLU 67 -0.583 -12.619 38.819 4 H GLU 67 HN GLU 67 1.531 -13.901 36.559 5 HB3 GLU 67 HB1 GLU 67 -0.664 -10.969 36.914 6 HG3 GLU 67 HG1 GLU 67 1.158 -12.742 38.572 No H/Q in entry = 6 In of MODEL 5 1 HA ILE 68 HA ILE 68 -0.581 -12.585 32.038 2 HB ILE 68 HB ILE 68 -1.260 -15.539 32.382 3 HD13 ILE 68 HD11 ILE 68 0.805 -17.101 32.398 4 HD12 ILE 68 HD12 ILE 68 2.355 -16.441 31.882 5 HD11 ILE 68 HD13 ILE 68 1.046 -16.604 30.715 6 H ILE 68 HN ILE 68 -1.625 -14.059 34.380 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 69 HA GLU 69 -4.902 -12.639 30.852 2 HB2 GLU 69 HB2 GLU 69 -4.490 -10.338 31.876 3 HG2 GLU 69 HG2 GLU 69 -6.151 -10.292 29.342 4 H GLU 69 HN GLU 69 -2.082 -11.707 30.780 5 HB3 GLU 69 HB1 GLU 69 -3.911 -9.789 30.307 6 HG3 GLU 69 HG1 GLU 69 -6.709 -10.781 30.941 No H/Q in entry = 6 In of MODEL 5 1 HA ILE 70 HA ILE 70 -4.297 -12.915 26.444 2 HB ILE 70 HB ILE 70 -7.287 -12.292 26.487 3 HD13 ILE 70 HD11 ILE 70 -5.785 -16.253 27.167 4 HD12 ILE 70 HD12 ILE 70 -4.648 -14.910 27.225 5 HD11 ILE 70 HD13 ILE 70 -5.296 -15.453 25.674 6 H ILE 70 HN ILE 70 -6.003 -12.143 28.667 No H/Q in entry = 6 In of MODEL 5 1 HA SER 71 HA SER 71 -3.179 -9.107 24.749 2 HB2 SER 71 HB2 SER 71 -3.165 -9.040 22.248 3 HG SER 71 HG SER 71 -4.500 -11.545 22.401 4 H SER 71 HN SER 71 -4.126 -11.692 24.461 5 HB3 SER 71 HB1 SER 71 -2.538 -10.559 22.887 No H/Q in entry = 5 In of MODEL 5 1 HA PRO 72 HA PRO 72 -6.741 -6.310 24.480 2 HB2 PRO 72 HB2 PRO 72 -5.635 -4.217 23.042 3 HG2 PRO 72 HG2 PRO 72 -3.672 -5.359 22.364 4 HD2 PRO 72 HD2 PRO 72 -2.807 -7.169 23.597 5 HB3 PRO 72 HB1 PRO 72 -5.310 -4.509 24.760 6 HG3 PRO 72 HG1 PRO 72 -3.134 -4.539 23.848 7 HD3 PRO 72 HD1 PRO 72 -3.342 -6.494 25.155 No H/Q in entry = 7 In of MODEL 5 1 HA SER 73 HA SER 73 -7.162 -6.735 19.711 2 HB2 SER 73 HB2 SER 73 -4.830 -7.032 18.919 3 HG SER 73 HG SER 73 -6.462 -7.537 17.426 4 H SER 73 HN SER 73 -5.038 -7.346 21.557 5 HB3 SER 73 HB1 SER 73 -4.849 -8.713 19.447 No H/Q in entry = 5 In of MODEL 5 1 HA3 GLY 74 HA2 GLY 74 -7.717 -11.187 22.486 2 H GLY 74 HN GLY 74 -6.218 -9.526 21.665 3 HA2 GLY 74 HA1 GLY 74 -8.763 -10.931 21.102 No H/Q in entry = 3 In of MODEL 5 1 HA LEU 75 HA LEU 75 -5.910 -13.594 18.699 2 HB2 LEU 75 HB2 LEU 75 -4.145 -11.190 18.282 3 HG LEU 75 HG LEU 75 -6.082 -11.616 16.711 4 HD12 LEU 75 HD11 LEU 75 -3.328 -11.656 15.439 5 HD11 LEU 75 HD12 LEU 75 -4.203 -10.227 15.998 6 HD13 LEU 75 HD13 LEU 75 -4.831 -11.168 14.646 7 HD23 LEU 75 HD21 LEU 75 -4.436 -14.033 15.862 8 HD22 LEU 75 HD22 LEU 75 -5.881 -13.426 15.046 9 HD21 LEU 75 HD23 LEU 75 -6.004 -14.074 16.678 10 H LEU 75 HN LEU 75 -5.932 -10.901 19.621 11 HB3 LEU 75 HB1 LEU 75 -3.494 -12.757 17.836 No H/Q in entry = 11 In of MODEL 5 1 HA3 GLY 76 HA2 GLY 76 -2.116 -14.497 21.158 2 H GLY 76 HN GLY 76 -3.179 -11.891 20.303 3 HA2 GLY 76 HA1 GLY 76 -1.241 -12.975 21.071 No H/Q in entry = 3 In of MODEL 5 1 HA VAL 77 HA VAL 77 -2.375 -12.801 25.333 2 HB VAL 77 HB VAL 77 -0.480 -14.650 25.015 3 H VAL 77 HN VAL 77 -0.546 -12.508 23.032 No H/Q in entry = 3 In of MODEL 5 1 HA TYR 78 HA TYR 78 0.136 -9.331 26.747 2 HB2 TYR 78 HB2 TYR 78 -1.954 -8.147 26.136 3 HD1 TYR 78 HD1 TYR 78 -2.632 -7.433 29.591 4 HD2 TYR 78 HD2 TYR 78 0.177 -6.685 26.456 5 HE1 TYR 78 HE1 TYR 78 -1.750 -5.517 30.849 6 HE2 TYR 78 HE2 TYR 78 1.064 -4.773 27.689 7 HH TYR 78 HH TYR 78 0.264 -4.200 31.008 8 H TYR 78 HN TYR 78 -2.060 -11.281 26.994 9 HB3 TYR 78 HB1 TYR 78 -2.740 -8.737 27.601 No H/Q in entry = 9 In of MODEL 5 1 HA PHE 79 HA PHE 79 0.551 -11.099 30.856 2 HB2 PHE 79 HB2 PHE 79 3.356 -10.300 29.982 3 HD1 PHE 79 HD1 PHE 79 0.838 -12.928 29.805 4 HD2 PHE 79 HD2 PHE 79 4.853 -12.053 29.277 5 HE1 PHE 79 HE1 PHE 79 1.127 -15.018 28.604 6 HE2 PHE 79 HE2 PHE 79 5.090 -14.121 28.079 7 HZ PHE 79 HZ PHE 79 3.286 -15.631 27.733 8 H PHE 79 HN PHE 79 1.481 -10.094 28.320 9 HB3 PHE 79 HB1 PHE 79 2.949 -11.214 31.430 No H/Q in entry = 9 In of MODEL 5 1 HA GLU 80 HA GLU 80 -0.061 -7.102 32.369 2 HB2 GLU 80 HB2 GLU 80 -1.770 -8.531 33.481 3 HG2 GLU 80 HG2 GLU 80 -2.252 -7.198 35.480 4 H GLU 80 HN GLU 80 0.260 -9.947 32.675 5 HB3 GLU 80 HB1 GLU 80 -0.632 -8.890 34.775 6 HG3 GLU 80 HG1 GLU 80 -0.619 -6.534 35.456 No H/Q in entry = 6 In of MODEL 5 1 HA THR 81 HA THR 81 2.897 -7.230 36.204 2 HB THR 81 HB THR 81 4.562 -9.685 35.561 3 HG1 THR 81 HG1 THR 81 2.212 -9.730 37.154 4 HG23 THR 81 HG21 THR 81 4.882 -9.740 38.001 5 HG22 THR 81 HG22 THR 81 3.804 -8.356 38.194 6 HG21 THR 81 HG23 THR 81 5.350 -8.163 37.361 7 H THR 81 HN THR 81 1.953 -9.211 34.445 No H/Q in entry = 7 In of MODEL 5 1 HA LEU 82 HA LEU 82 6.508 -6.670 33.271 2 HB2 LEU 82 HB2 LEU 82 7.178 -8.069 31.158 3 HG LEU 82 HG LEU 82 4.930 -9.369 31.022 4 HD11 LEU 82 HD11 LEU 82 7.586 -10.832 31.007 5 HD13 LEU 82 HD12 LEU 82 6.825 -9.987 29.656 6 HD12 LEU 82 HD13 LEU 82 6.090 -11.450 30.303 7 HD23 LEU 82 HD21 LEU 82 6.226 -10.953 33.262 8 HD22 LEU 82 HD22 LEU 82 4.797 -11.428 32.340 9 HD21 LEU 82 HD23 LEU 82 4.737 -10.013 33.387 10 H LEU 82 HN LEU 82 4.098 -8.359 33.119 11 HB3 LEU 82 HB1 LEU 82 7.356 -8.769 32.751 No H/Q in entry = 11 In of MODEL 5 1 HA GLU 83 HA GLU 83 2.281 -5.393 30.522 2 HB2 GLU 83 HB2 GLU 83 4.716 -3.591 30.801 3 HG2 GLU 83 HG2 GLU 83 2.017 -3.425 32.179 4 H GLU 83 HN GLU 83 3.423 -6.676 31.994 5 HB3 GLU 83 HB1 GLU 83 3.196 -3.105 30.049 6 HG3 GLU 83 HG1 GLU 83 3.515 -3.964 32.947 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 84 HA GLU 84 4.717 -6.471 26.807 2 HB2 GLU 84 HB2 GLU 84 5.653 -8.810 28.509 3 HG2 GLU 84 HG2 GLU 84 6.820 -6.660 28.936 4 H GLU 84 HN GLU 84 3.726 -7.485 29.413 5 HB3 GLU 84 HB1 GLU 84 6.052 -8.680 26.802 6 HG3 GLU 84 HG1 GLU 84 7.872 -7.911 28.270 No H/Q in entry = 6 In of MODEL 5 1 HA ASP 85 HA ASP 85 1.802 -9.378 25.144 2 HB2 ASP 85 HB2 ASP 85 1.113 -7.196 24.331 3 H ASP 85 HN ASP 85 4.099 -7.507 24.972 4 HB3 ASP 85 HB1 ASP 85 2.441 -7.117 23.203 No H/Q in entry = 4 In of MODEL 5 1 HA VAL 86 HA VAL 86 4.214 -11.755 22.205 2 HB VAL 86 HB VAL 86 2.813 -14.017 23.742 3 H VAL 86 HN VAL 86 2.075 -11.340 24.233 No H/Q in entry = 3 In of MODEL 5 1 HA SER 87 HA SER 87 0.562 -11.666 19.680 2 HB2 SER 87 HB2 SER 87 2.906 -11.617 17.740 3 HG SER 87 HG SER 87 1.684 -9.610 19.300 4 H SER 87 HN SER 87 3.297 -11.437 20.299 5 HB3 SER 87 HB1 SER 87 1.236 -11.145 17.402 No H/Q in entry = 5 In of MODEL 5 1 HA LEU 88 HA LEU 88 0.177 -16.003 19.361 2 HB2 LEU 88 HB2 LEU 88 -2.215 -15.053 19.451 3 HG LEU 88 HG LEU 88 -1.848 -17.640 17.905 4 HD11 LEU 88 HD11 LEU 88 -0.697 -17.633 20.072 5 HD13 LEU 88 HD12 LEU 88 -2.064 -18.733 20.076 6 HD12 LEU 88 HD13 LEU 88 -2.197 -17.169 20.882 7 HD23 LEU 88 HD21 LEU 88 -4.315 -16.645 19.380 8 HD22 LEU 88 HD22 LEU 88 -4.126 -18.218 18.601 9 HD21 LEU 88 HD23 LEU 88 -4.136 -16.753 17.627 10 H LEU 88 HN LEU 88 -0.651 -13.354 19.067 11 HB3 LEU 88 HB1 LEU 88 -2.231 -15.167 17.706 No H/Q in entry = 11 In of MODEL 5 1 HA ILE 89 HA ILE 89 -0.067 -16.097 14.496 2 HB ILE 89 HB ILE 89 0.591 -13.130 14.208 3 HD12 ILE 89 HD11 ILE 89 -2.258 -15.668 14.365 4 HD11 ILE 89 HD12 ILE 89 -2.263 -15.166 12.671 5 HD13 ILE 89 HD13 ILE 89 -3.455 -14.508 13.790 6 H ILE 89 HN ILE 89 -0.400 -14.113 16.433 No H/Q in entry = 6 In of MODEL 5 1 HA3 GLY 90 HA2 GLY 90 4.654 -14.684 14.759 2 H GLY 90 HN GLY 90 2.296 -13.977 16.080 3 HA2 GLY 90 HA1 GLY 90 4.546 -14.198 16.448 No H/Q in entry = 3 In of MODEL 5 1 HA LEU 91 HA LEU 91 5.029 -18.287 18.026 2 HB2 LEU 91 HB2 LEU 91 2.050 -18.250 18.664 3 HG LEU 91 HG LEU 91 3.274 -16.476 19.902 4 HD11 LEU 91 HD11 LEU 91 1.355 -17.562 20.964 5 HD13 LEU 91 HD12 LEU 91 2.561 -17.105 22.164 6 HD12 LEU 91 HD13 LEU 91 2.410 -18.794 21.666 7 HD21 LEU 91 HD21 LEU 91 4.996 -18.753 20.949 8 HD23 LEU 91 HD22 LEU 91 5.009 -17.095 21.557 9 HD22 LEU 91 HD23 LEU 91 5.516 -17.425 19.906 10 H LEU 91 HN LEU 91 3.087 -16.271 17.567 11 HB3 LEU 91 HB1 LEU 91 3.170 -19.458 19.281 No H/Q in entry = 11 In of MODEL 5 1 HA LEU 92 HA LEU 92 2.105 -20.865 15.138 2 HB2 LEU 92 HB2 LEU 92 0.974 -18.375 13.795 3 HG LEU 92 HG LEU 92 0.031 -18.709 16.101 4 HD13 LEU 92 HD11 LEU 92 -2.325 -18.553 15.471 5 HD12 LEU 92 HD12 LEU 92 -1.954 -19.166 13.858 6 HD11 LEU 92 HD13 LEU 92 -1.304 -17.611 14.386 7 HD23 LEU 92 HD21 LEU 92 -0.977 -21.364 15.022 8 HD22 LEU 92 HD22 LEU 92 -1.410 -20.641 16.575 9 HD21 LEU 92 HD23 LEU 92 0.251 -21.142 16.273 10 H LEU 92 HN LEU 92 2.173 -18.140 15.972 11 HB3 LEU 92 HB1 LEU 92 0.526 -20.030 13.398 No H/Q in entry = 11 In of MODEL 5 1 HA GLU 93 HA GLU 93 4.738 -19.192 11.491 2 HB2 GLU 93 HB2 GLU 93 5.489 -16.534 12.799 3 HG2 GLU 93 HG2 GLU 93 3.155 -16.414 12.150 4 H GLU 93 HN GLU 93 3.715 -17.960 13.916 5 HB3 GLU 93 HB1 GLU 93 5.955 -17.049 11.179 6 HG3 GLU 93 HG1 GLU 93 4.139 -15.449 11.061 No H/Q in entry = 6 In of MODEL 5 1 HA3 GLY 94 HA2 GLY 94 7.455 -20.284 15.772 2 H GLY 94 HN GLY 94 5.664 -19.139 14.775 3 HA2 GLY 94 HA1 GLY 94 8.302 -20.325 14.232 No H/Q in entry = 3 In of MODEL 5 1 HA ARG 95 HA ARG 95 9.749 -16.084 15.228 2 HB2 ARG 95 HB2 ARG 95 8.333 -15.084 13.462 3 HG2 ARG 95 HG2 ARG 95 8.450 -13.242 15.877 4 HD2 ARG 95 HD2 ARG 95 8.533 -11.415 14.251 5 HE ARG 95 HE ARG 95 6.233 -12.516 14.927 6 HH11 ARG 95 HH11 ARG 95 7.287 -11.535 11.731 7 HH12 ARG 95 HH12 ARG 95 5.682 -11.206 11.169 8 HH21 ARG 95 HH21 ARG 95 4.118 -12.068 14.166 9 HH22 ARG 95 HH22 ARG 95 3.904 -11.496 12.543 10 H ARG 95 HN ARG 95 7.276 -17.267 14.427 11 HB3 ARG 95 HB1 ARG 95 7.028 -14.836 14.623 12 HG3 ARG 95 HG1 ARG 95 9.753 -13.497 14.714 13 HD3 ARG 95 HD1 ARG 95 8.369 -12.570 12.921 No H/Q in entry = 13 In of MODEL 5 1 HA ARG 96 HA ARG 96 8.277 -16.607 19.446 2 HB2 ARG 96 HB2 ARG 96 11.312 -16.695 19.397 3 HG2 ARG 96 HG2 ARG 96 9.287 -18.908 19.892 4 HD2 ARG 96 HD2 ARG 96 12.286 -19.075 19.475 5 HE ARG 96 HE ARG 96 10.534 -21.271 20.390 6 HH11 ARG 96 HH11 ARG 96 12.769 -20.028 17.957 7 HH12 ARG 96 HH12 ARG 96 13.011 -21.582 17.227 8 HH21 ARG 96 HH21 ARG 96 10.844 -23.280 19.402 9 HH22 ARG 96 HH22 ARG 96 11.917 -23.423 18.048 10 H ARG 96 HN ARG 96 10.170 -16.565 17.321 11 HB3 ARG 96 HB1 ARG 96 10.356 -16.930 20.864 12 HG3 ARG 96 HG1 ARG 96 10.151 -18.659 18.372 13 HD3 ARG 96 HD1 ARG 96 11.482 -19.206 21.039 No H/Q in entry = 13 In of MODEL 5 1 HA3 GLY 97 HA2 GLY 97 9.348 -12.159 19.968 2 H GLY 97 HN GLY 97 10.640 -14.266 18.341 3 HA2 GLY 97 HA1 GLY 97 11.106 -12.326 19.976 No H/Q in entry = 3 In of MODEL 5 1 HA SER 98 HA SER 98 9.600 -9.516 16.518 2 HB2 SER 98 HB2 SER 98 11.333 -7.772 18.342 3 HG SER 98 HG SER 98 9.563 -7.535 19.433 4 H SER 98 HN SER 98 10.270 -9.968 19.201 5 HB3 SER 98 HB1 SER 98 10.462 -7.227 16.904 No H/Q in entry = 5 In of MODEL 5 1 HA ALA 99 HA ALA 99 13.193 -10.531 14.140 2 HB3 ALA 99 HB1 ALA 99 12.520 -7.866 12.829 3 HB1 ALA 99 HB2 ALA 99 11.862 -9.437 12.368 4 HB2 ALA 99 HB3 ALA 99 13.583 -9.109 12.156 5 H ALA 99 HN ALA 99 10.998 -8.860 14.683 No H/Q in entry = 5 In of MODEL 5 1 HA LYS 100 HA LYS 100 15.714 -6.490 15.584 2 HB2 LYS 100 HB2 LYS 100 13.931 -4.875 15.930 3 HG2 LYS 100 HG2 LYS 100 15.204 -5.358 18.641 4 HD2 LYS 100 HD2 LYS 100 13.269 -3.722 18.648 5 HE2 LYS 100 HE2 LYS 100 13.811 -1.412 17.800 6 HZ2 LYS 100 HZ1 LYS 100 13.038 -1.743 15.631 7 HZ1 LYS 100 HZ2 LYS 100 12.312 -2.949 16.567 8 HZ3 LYS 100 HZ3 LYS 100 13.618 -3.328 15.559 9 H LYS 100 HN LYS 100 13.058 -7.203 15.264 10 HB3 LYS 100 HB1 LYS 100 13.245 -5.836 17.235 11 HG3 LYS 100 HG1 LYS 100 15.930 -4.418 17.338 12 HD3 LYS 100 HD1 LYS 100 14.819 -3.082 19.191 13 HE3 LYS 100 HE1 LYS 100 15.137 -2.112 16.876 No H/Q in entry = 13 In of MODEL 5 1 HA TRP 101 HA TRP 101 15.334 -8.305 20.064 2 HB2 TRP 101 HB2 TRP 101 12.872 -8.571 20.290 3 HD1 TRP 101 HD1 TRP 101 13.994 -8.504 22.791 4 HE1 TRP 101 HE1 TRP 101 14.233 -10.361 24.540 5 HE3 TRP 101 HE3 TRP 101 13.428 -12.578 19.760 6 HZ2 TRP 101 HZ2 TRP 101 14.269 -13.171 24.627 7 HZ3 TRP 101 HZ3 TRP 101 13.604 -14.824 20.748 8 HH2 TRP 101 HH2 TRP 101 14.015 -15.114 23.143 9 H TRP 101 HN TRP 101 13.555 -8.124 17.898 10 HB3 TRP 101 HB1 TRP 101 12.948 -10.107 19.436 No H/Q in entry = 10 In of MODEL 5 1 HA MET 102 HA MET 102 16.185 -12.764 18.605 2 HB2 MET 102 HB2 MET 102 14.888 -12.498 15.868 3 HG2 MET 102 HG2 MET 102 14.048 -14.070 18.314 4 HE2 MET 102 HE1 MET 102 13.399 -13.476 14.397 5 HE1 MET 102 HE2 MET 102 11.930 -12.923 15.207 6 HE3 MET 102 HE3 MET 102 11.898 -14.388 14.225 7 H MET 102 HN MET 102 14.531 -10.702 17.542 8 HB3 MET 102 HB1 MET 102 15.711 -13.947 16.433 9 HG3 MET 102 HG1 MET 102 13.173 -12.735 17.567 No H/Q in entry = 9 In of MODEL 5 1 HA ALA 103 HA ALA 103 19.322 -11.149 15.430 2 HB2 ALA 103 HB1 ALA 103 19.610 -8.930 14.396 3 HB1 ALA 103 HB2 ALA 103 18.232 -8.312 15.313 4 HB3 ALA 103 HB3 ALA 103 17.992 -9.564 14.096 5 H ALA 103 HN ALA 103 16.865 -10.026 16.535 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 104 HA GLU 104 21.159 -8.241 18.626 2 HB2 GLU 104 HB2 GLU 104 18.629 -6.940 19.713 3 HG2 GLU 104 HG2 GLU 104 20.303 -6.221 17.296 4 H GLU 104 HN GLU 104 18.352 -8.860 17.967 5 HB3 GLU 104 HB1 GLU 104 20.285 -6.354 19.887 6 HG3 GLU 104 HG1 GLU 104 18.562 -6.422 17.394 No H/Q in entry = 6 In of MODEL 5 1 HA HIS 105 HA HIS 105 20.276 -11.051 22.044 2 HB2 HIS 105 HB2 HIS 105 17.215 -11.212 21.896 3 HD1 HIS 105 HD1 HIS 105 18.797 -9.725 24.876 4 HD2 HIS 105 HD2 HIS 105 16.947 -8.385 21.404 5 HE1 HIS 105 HE1 HIS 105 18.300 -7.299 25.265 6 HE2 HIS 105 HE2 HIS 105 17.316 -6.471 23.103 7 H HIS 105 HN HIS 105 18.773 -10.352 19.610 8 HB3 HIS 105 HB1 HIS 105 18.222 -11.612 23.280 No H/Q in entry = 8 In of MODEL 5 1 HA PRO 106 HA PRO 106 19.994 -14.463 18.807 2 HB2 PRO 106 HB2 PRO 106 22.583 -15.130 20.211 3 HG2 PRO 106 HG2 PRO 106 23.648 -13.164 19.465 4 HD2 PRO 106 HD2 PRO 106 22.296 -12.402 21.239 5 HB3 PRO 106 HB1 PRO 106 22.190 -15.169 18.483 6 HG3 PRO 106 HG1 PRO 106 22.391 -12.837 18.252 7 HD3 PRO 106 HD1 PRO 106 21.694 -11.363 19.928 No H/Q in entry = 7 In of MODEL 5 1 HA LEU 107 HA LEU 107 18.180 -16.953 21.933 2 HB2 LEU 107 HB2 LEU 107 16.500 -16.861 20.107 3 HG LEU 107 HG LEU 107 16.806 -19.697 21.178 4 HD12 LEU 107 HD11 LEU 107 15.160 -17.387 22.246 5 HD11 LEU 107 HD12 LEU 107 16.612 -18.073 22.985 6 HD13 LEU 107 HD13 LEU 107 15.148 -19.043 22.860 7 HD21 LEU 107 HD21 LEU 107 15.371 -19.662 19.197 8 HD23 LEU 107 HD22 LEU 107 14.376 -18.393 19.919 9 HD22 LEU 107 HD23 LEU 107 14.437 -19.998 20.654 10 H LEU 107 HN LEU 107 18.867 -16.224 19.238 11 HB3 LEU 107 HB1 LEU 107 17.333 -18.161 19.268 No H/Q in entry = 11 In of MODEL 5 1 HA ALA 108 HA ALA 108 21.058 -20.284 22.270 2 HB1 ALA 108 HB1 ALA 108 20.873 -21.337 24.485 3 HB2 ALA 108 HB2 ALA 108 19.299 -20.576 24.732 4 HB3 ALA 108 HB3 ALA 108 20.753 -19.582 24.620 5 H ALA 108 HN ALA 108 18.754 -18.745 23.072 No H/Q in entry = 5 In of MODEL 5 1 HA SER 109 HA SER 109 18.865 -23.819 20.833 2 HB2 SER 109 HB2 SER 109 18.158 -21.849 18.598 3 HG SER 109 HG SER 109 17.238 -21.481 20.751 4 H SER 109 HN SER 109 20.265 -21.277 20.391 5 HB3 SER 109 HB1 SER 109 17.504 -23.484 18.764 No H/Q in entry = 5 In of MODEL 6 1 H1 MET 1 HT1 MET 1 -4.963 -5.053 -1.298 2 H2 MET 1 HT3 MET 1 -4.134 -6.524 -1.316 3 H3 MET 1 HT2 MET 1 -5.824 -6.508 -1.320 4 HB3 MET 1 HB1 MET 1 -4.998 -7.501 2.128 5 HG3 MET 1 HG1 MET 1 -6.069 -8.428 -0.551 6 HA MET 1 HA MET 1 -5.865 -5.547 0.871 7 HB2 MET 1 HB2 MET 1 -4.027 -7.983 0.743 8 HG2 MET 1 HG2 MET 1 -7.047 -7.951 0.838 9 HE2 MET 1 HE1 MET 1 -7.286 -10.777 -0.758 10 HE1 MET 1 HE2 MET 1 -8.352 -10.268 0.553 11 HE3 MET 1 HE3 MET 1 -7.565 -11.844 0.618 No H/Q in entry = 11 In of MODEL 6 1 HA GLU 2 HA GLU 2 -1.867 -3.444 1.052 2 HB2 GLU 2 HB2 GLU 2 -3.852 -1.152 1.327 3 HG2 GLU 2 HG2 GLU 2 -4.273 -2.070 -0.843 4 H GLU 2 HN GLU 2 -4.787 -3.552 1.040 5 HB3 GLU 2 HB1 GLU 2 -2.123 -1.017 1.016 6 HG3 GLU 2 HG1 GLU 2 -3.293 -0.619 -1.041 No H/Q in entry = 6 In of MODEL 6 1 HA VAL 3 HA VAL 3 -2.345 -3.698 5.567 2 HB VAL 3 HB VAL 3 -0.787 -5.402 6.475 3 H VAL 3 HN VAL 3 -1.684 -4.720 2.985 No H/Q in entry = 3 In of MODEL 6 1 HA SER 4 HA SER 4 2.031 -1.704 4.812 2 HB2 SER 4 HB2 SER 4 1.086 -1.279 1.956 3 HG SER 4 HG SER 4 3.445 -2.598 2.528 4 H SER 4 HN SER 4 0.023 -2.957 3.282 5 HB3 SER 4 HB1 SER 4 2.604 -0.659 2.611 No H/Q in entry = 5 In of MODEL 6 1 HA ALA 5 HA ALA 5 -0.485 2.252 4.030 2 HB2 ALA 5 HB1 ALA 5 -1.716 1.615 1.997 3 HB3 ALA 5 HB2 ALA 5 -2.691 2.672 3.021 4 HB1 ALA 5 HB3 ALA 5 -3.015 0.936 2.979 5 H ALA 5 HN ALA 5 -1.067 -0.555 3.518 No H/Q in entry = 5 In of MODEL 6 1 HA ASN 6 HA ASN 6 -2.086 2.005 8.141 2 HB2 ASN 6 HB2 ASN 6 -1.493 4.969 7.700 3 HD21 ASN 6 HD21 ASN 6 0.491 4.647 6.670 4 HD22 ASN 6 HD22 ASN 6 1.856 3.997 7.501 5 H ASN 6 HN ASN 6 -0.956 3.276 5.848 6 HB3 ASN 6 HB1 ASN 6 -1.799 4.200 9.257 No H/Q in entry = 6 In of MODEL 6 1 HA GLU 7 HA GLU 7 -5.795 4.880 6.975 2 HB2 GLU 7 HB2 GLU 7 -6.504 5.640 4.706 3 HG2 GLU 7 HG2 GLU 7 -3.749 4.879 3.707 4 H GLU 7 HN GLU 7 -3.322 4.243 5.728 5 HB3 GLU 7 HB1 GLU 7 -4.953 6.312 5.197 6 HG3 GLU 7 HG1 GLU 7 -5.165 3.879 3.403 No H/Q in entry = 6 In of MODEL 6 1 HA LEU 8 HA LEU 8 -7.408 1.151 4.410 2 HB2 LEU 8 HB2 LEU 8 -4.620 0.290 3.680 3 HG LEU 8 HG LEU 8 -5.583 -0.249 1.481 4 HD13 LEU 8 HD11 LEU 8 -7.899 0.197 0.927 5 HD12 LEU 8 HD12 LEU 8 -8.248 0.669 2.591 6 HD11 LEU 8 HD13 LEU 8 -7.789 -0.999 2.219 7 HD23 LEU 8 HD21 LEU 8 -6.375 2.535 2.383 8 HD22 LEU 8 HD22 LEU 8 -6.139 2.003 0.716 9 HD21 LEU 8 HD23 LEU 8 -4.778 2.028 1.831 10 H LEU 8 HN LEU 8 -4.809 2.309 4.691 11 HB3 LEU 8 HB1 LEU 8 -5.830 -0.968 3.787 No H/Q in entry = 11 In of MODEL 6 1 HA GLU 9 HA GLU 9 -4.514 -0.319 8.640 2 HB2 GLU 9 HB2 GLU 9 -6.275 -0.209 10.333 3 HG2 GLU 9 HG2 GLU 9 -8.210 0.593 8.147 4 H GLU 9 HN GLU 9 -4.926 0.932 6.797 5 HB3 GLU 9 HB1 GLU 9 -6.228 1.290 9.416 6 HG3 GLU 9 HG1 GLU 9 -8.240 -0.947 9.001 No H/Q in entry = 6 In of MODEL 6 1 HA ALA 10 HA ALA 10 -6.698 -4.077 6.752 2 HB2 ALA 10 HB1 ALA 10 -5.516 -5.167 4.904 3 HB3 ALA 10 HB2 ALA 10 -4.194 -4.006 5.059 4 HB1 ALA 10 HB3 ALA 10 -5.797 -3.455 4.577 5 H ALA 10 HN ALA 10 -4.835 -1.972 6.408 No H/Q in entry = 5 In of MODEL 6 1 HA ALA 11 HA ALA 11 -2.910 -6.118 9.034 2 HB3 ALA 11 HB1 ALA 11 -1.587 -4.972 10.776 3 HB1 ALA 11 HB2 ALA 11 -2.426 -3.459 10.425 4 HB2 ALA 11 HB3 ALA 11 -1.381 -4.190 9.207 5 H ALA 11 HN ALA 11 -3.633 -3.514 8.198 No H/Q in entry = 5 In of MODEL 6 1 HA SER 12 HA SER 12 -5.740 -4.950 12.901 2 HB2 SER 12 HB2 SER 12 -7.338 -2.882 11.316 3 HG SER 12 HG SER 12 -6.250 -1.372 12.618 4 H SER 12 HN SER 12 -4.908 -3.577 10.590 5 HB3 SER 12 HB1 SER 12 -7.519 -3.269 13.031 No H/Q in entry = 5 In of MODEL 6 1 HA SER 13 HA SER 13 -9.575 -6.103 10.089 2 HB2 SER 13 HB2 SER 13 -8.008 -5.948 7.476 3 HG SER 13 HG SER 13 -9.623 -4.016 8.777 4 H SER 13 HN SER 13 -7.176 -4.709 9.677 5 HB3 SER 13 HB1 SER 13 -9.754 -6.145 7.667 No H/Q in entry = 5 In of MODEL 6 1 HA ARG 14 HA ARG 14 -7.233 -9.883 8.323 2 HB2 ARG 14 HB2 ARG 14 -5.021 -10.326 7.620 3 HG2 ARG 14 HG2 ARG 14 -3.128 -8.532 8.193 4 HD2 ARG 14 HD2 ARG 14 -3.785 -10.757 10.150 5 HE ARG 14 HE ARG 14 -1.760 -9.138 10.567 6 HH11 ARG 14 HH11 ARG 14 -1.671 -12.299 8.997 7 HH12 ARG 14 HH12 ARG 14 -0.058 -12.641 9.539 8 HH21 ARG 14 HH21 ARG 14 0.336 -9.631 11.292 9 HH22 ARG 14 HH22 ARG 14 1.071 -11.140 10.852 10 H ARG 14 HN ARG 14 -6.382 -7.235 8.974 11 HB3 ARG 14 HB1 ARG 14 -5.242 -8.623 7.297 12 HG3 ARG 14 HG1 ARG 14 -4.049 -8.359 9.686 13 HD3 ARG 14 HD1 ARG 14 -2.947 -10.975 8.612 No H/Q in entry = 13 In of MODEL 6 1 HA MET 15 HA MET 15 -5.257 -10.672 12.692 2 HB2 MET 15 HB2 MET 15 -6.028 -7.844 13.520 3 HG2 MET 15 HG2 MET 15 -3.415 -9.373 13.668 4 HE3 MET 15 HE1 MET 15 -1.178 -6.700 15.353 5 HE2 MET 15 HE2 MET 15 -1.420 -6.989 13.629 6 HE1 MET 15 HE3 MET 15 -1.291 -8.351 14.747 7 H MET 15 HN MET 15 -5.901 -8.359 11.184 8 HB3 MET 15 HB1 MET 15 -5.671 -9.090 14.712 9 HG3 MET 15 HG1 MET 15 -3.784 -8.001 12.619 No H/Q in entry = 9 In of MODEL 6 1 HA GLU 16 HA GLU 16 -9.862 -10.208 14.263 2 HB2 GLU 16 HB2 GLU 16 -10.706 -8.646 11.785 3 HG2 GLU 16 HG2 GLU 16 -10.600 -7.707 14.663 4 H GLU 16 HN GLU 16 -8.246 -8.735 12.483 5 HB3 GLU 16 HB1 GLU 16 -11.784 -9.153 13.088 6 HG3 GLU 16 HG1 GLU 16 -9.441 -7.251 13.413 No H/Q in entry = 6 In of MODEL 6 1 HA MET 17 HA MET 17 -11.042 -12.729 10.298 2 HB2 MET 17 HB2 MET 17 -8.478 -11.959 8.840 3 HG2 MET 17 HG2 MET 17 -11.404 -11.467 8.222 4 HE1 MET 17 HE1 MET 17 -7.726 -11.293 6.658 5 HE3 MET 17 HE2 MET 17 -8.331 -9.640 6.541 6 HE2 MET 17 HE3 MET 17 -8.107 -10.607 5.081 7 H MET 17 HN MET 17 -9.257 -10.591 10.782 8 HB3 MET 17 HB1 MET 17 -9.556 -13.236 8.290 9 HG3 MET 17 HG1 MET 17 -10.132 -10.270 8.445 No H/Q in entry = 9 In of MODEL 6 1 HA LEU 18 HA LEU 18 -7.360 -15.561 11.416 2 HB2 LEU 18 HB2 LEU 18 -5.677 -13.398 12.729 3 HG LEU 18 HG LEU 18 -5.559 -13.282 10.254 4 HD12 LEU 18 HD11 LEU 18 -3.021 -14.417 11.456 5 HD11 LEU 18 HD12 LEU 18 -3.555 -12.737 11.539 6 HD13 LEU 18 HD13 LEU 18 -3.142 -13.449 9.983 7 HD23 LEU 18 HD21 LEU 18 -4.652 -15.147 8.930 8 HD22 LEU 18 HD22 LEU 18 -6.186 -15.565 9.685 9 HD21 LEU 18 HD23 LEU 18 -4.675 -16.182 10.359 10 H LEU 18 HN LEU 18 -7.686 -12.692 11.497 11 HB3 LEU 18 HB1 LEU 18 -5.225 -15.097 12.678 No H/Q in entry = 11 In of MODEL 6 1 HA GLN 19 HA GLN 19 -8.472 -14.851 16.128 2 HB2 GLN 19 HB2 GLN 19 -10.417 -12.649 15.314 3 HG2 GLN 19 HG2 GLN 19 -8.152 -12.521 17.309 4 HE21 GLN 19 HE21 GLN 19 -7.657 -9.820 16.249 5 HE22 GLN 19 HE22 GLN 19 -8.841 -8.812 16.996 6 H GLN 19 HN GLN 19 -8.577 -13.267 13.762 7 HB3 GLN 19 HB1 GLN 19 -10.382 -13.368 16.924 8 HG3 GLN 19 HG1 GLN 19 -8.042 -11.934 15.654 No H/Q in entry = 8 In of MODEL 6 1 HA ARG 20 HA ARG 20 -12.582 -16.595 14.648 2 HB2 ARG 20 HB2 ARG 20 -14.194 -15.878 12.915 3 HG2 ARG 20 HG2 ARG 20 -11.956 -14.102 11.940 4 HD2 ARG 20 HD2 ARG 20 -13.652 -12.850 10.609 5 HE ARG 20 HE ARG 20 -13.171 -12.411 13.350 6 HH11 ARG 20 HH11 ARG 20 -15.485 -11.381 10.900 7 HH12 ARG 20 HH12 ARG 20 -15.741 -9.836 11.646 8 HH21 ARG 20 HH21 ARG 20 -13.528 -10.383 14.282 9 HH22 ARG 20 HH22 ARG 20 -14.643 -9.277 13.555 10 H ARG 20 HN ARG 20 -10.826 -14.520 13.520 11 HB3 ARG 20 HB1 ARG 20 -13.637 -14.526 13.893 12 HG3 ARG 20 HG1 ARG 20 -13.016 -15.160 11.004 13 HD3 ARG 20 HD1 ARG 20 -14.933 -13.629 11.543 No H/Q in entry = 13 In of MODEL 6 1 HA GLU 21 HA GLU 21 -10.686 -18.642 10.762 2 HB2 GLU 21 HB2 GLU 21 -9.077 -16.861 10.060 3 HG2 GLU 21 HG2 GLU 21 -7.231 -18.221 9.159 4 H GLU 21 HN GLU 21 -9.967 -16.437 12.505 5 HB3 GLU 21 HB1 GLU 21 -7.957 -17.397 11.299 6 HG3 GLU 21 HG1 GLU 21 -7.746 -19.582 10.155 No H/Q in entry = 6 In of MODEL 6 1 HA TYR 22 HA TYR 22 -7.913 -21.162 13.585 2 HB2 TYR 22 HB2 TYR 22 -6.190 -18.900 14.711 3 HD1 TYR 22 HD1 TYR 22 -5.333 -17.780 12.774 4 HD2 TYR 22 HD2 TYR 22 -5.459 -22.056 12.834 5 HE1 TYR 22 HE1 TYR 22 -4.070 -17.856 10.661 6 HE2 TYR 22 HE2 TYR 22 -4.198 -22.121 10.732 7 HH TYR 22 HH TYR 22 -2.644 -19.411 9.407 8 H TYR 22 HN TYR 22 -8.031 -18.276 13.141 9 HB3 TYR 22 HB1 TYR 22 -5.883 -20.621 14.934 No H/Q in entry = 9 In of MODEL 6 1 HA SER 23 HA SER 23 -10.087 -18.475 17.190 2 HB2 SER 23 HB2 SER 23 -9.521 -19.717 19.320 3 HG SER 23 HG SER 23 -7.165 -20.036 18.008 4 H SER 23 HN SER 23 -7.778 -18.371 15.785 5 HB3 SER 23 HB1 SER 23 -9.682 -20.789 17.933 No H/Q in entry = 5 In of MODEL 6 1 HA THR 24 HA THR 24 -7.443 -15.809 19.741 2 HB THR 24 HB THR 24 -8.821 -14.751 21.604 3 HG1 THR 24 HG1 THR 24 -10.293 -16.259 22.170 4 HG23 THR 24 HG21 THR 24 -10.370 -13.522 20.142 5 HG22 THR 24 HG22 THR 24 -10.175 -14.744 18.883 6 HG21 THR 24 HG23 THR 24 -8.805 -13.732 19.350 7 H THR 24 HN THR 24 -9.808 -17.551 19.461 No H/Q in entry = 7 In of MODEL 6 1 HA LEU 25 HA LEU 25 -6.070 -18.470 22.984 2 HB2 LEU 25 HB2 LEU 25 -4.291 -16.577 22.722 3 HG LEU 25 HG LEU 25 -4.461 -18.020 25.399 4 HD12 LEU 25 HD11 LEU 25 -2.913 -19.618 24.352 5 HD11 LEU 25 HD12 LEU 25 -3.034 -18.744 22.822 6 HD13 LEU 25 HD13 LEU 25 -4.454 -19.548 23.500 7 HD23 LEU 25 HD21 LEU 25 -2.076 -16.656 24.096 8 HD22 LEU 25 HD22 LEU 25 -2.052 -17.599 25.590 9 HD21 LEU 25 HD23 LEU 25 -2.943 -16.080 25.524 10 H LEU 25 HN LEU 25 -6.335 -15.854 21.822 11 HB3 LEU 25 HB1 LEU 25 -4.999 -15.888 24.176 No H/Q in entry = 11 In of MODEL 6 1 HA ARG 26 HA ARG 26 -9.034 -17.559 26.208 2 HB2 ARG 26 HB2 ARG 26 -10.148 -19.618 26.966 3 HG2 ARG 26 HG2 ARG 26 -8.443 -21.313 25.135 4 HD2 ARG 26 HD2 ARG 26 -10.651 -22.207 25.885 5 HE ARG 26 HE ARG 26 -10.323 -21.125 28.262 6 HH11 ARG 26 HH11 ARG 26 -10.010 -24.528 27.551 7 HH12 ARG 26 HH12 ARG 26 -10.610 -25.032 29.093 8 HH21 ARG 26 HH21 ARG 26 -11.103 -21.798 30.305 9 HH22 ARG 26 HH22 ARG 26 -11.233 -23.493 30.645 10 H ARG 26 HN ARG 26 -7.135 -19.302 24.755 11 HB3 ARG 26 HB1 ARG 26 -10.039 -19.573 25.214 12 HG3 ARG 26 HG1 ARG 26 -7.981 -21.099 26.817 13 HD3 ARG 26 HD1 ARG 26 -9.275 -23.175 26.441 No H/Q in entry = 13 In of MODEL 6 1 HA SER 27 HA SER 27 -6.119 -18.994 29.570 2 HB2 SER 27 HB2 SER 27 -6.508 -21.910 28.711 3 HG SER 27 HG SER 27 -8.160 -20.049 30.057 4 H SER 27 HN SER 27 -6.311 -19.782 26.754 5 HB3 SER 27 HB1 SER 27 -6.125 -21.364 30.346 No H/Q in entry = 5 In of MODEL 6 1 HA VAL 28 HA VAL 28 -1.939 -20.490 28.819 2 HB VAL 28 HB VAL 28 -1.723 -17.921 30.471 3 H VAL 28 HN VAL 28 -4.116 -19.359 30.462 No H/Q in entry = 3 In of MODEL 6 1 HA GLN 29 HA GLN 29 -0.500 -21.610 32.954 2 HB2 GLN 29 HB2 GLN 29 -0.707 -24.078 33.103 3 HG2 GLN 29 HG2 GLN 29 -1.250 -24.010 30.126 4 HE21 GLN 29 HE21 GLN 29 -0.401 -26.834 30.048 5 HE22 GLN 29 HE22 GLN 29 -1.762 -27.737 30.604 6 H GLN 29 HN GLN 29 -0.441 -21.652 30.022 7 HB3 GLN 29 HB1 GLN 29 -2.131 -23.369 32.350 8 HG3 GLN 29 HG1 GLN 29 0.127 -24.781 30.902 No H/Q in entry = 8 In of MODEL 6 1 HA TYR 30 HA TYR 30 3.771 -22.280 31.931 2 HB2 TYR 30 HB2 TYR 30 4.044 -20.292 33.314 3 HD1 TYR 30 HD1 TYR 30 5.585 -21.899 36.067 4 HD2 TYR 30 HD2 TYR 30 6.110 -21.280 31.873 5 HE1 TYR 30 HE1 TYR 30 7.968 -22.479 36.272 6 HE2 TYR 30 HE2 TYR 30 8.491 -21.839 32.085 7 HH TYR 30 HH TYR 30 10.240 -21.862 33.838 8 H TYR 30 HN TYR 30 1.535 -21.720 33.729 9 HB3 TYR 30 HB1 TYR 30 3.711 -21.204 34.784 No H/Q in entry = 9 In of MODEL 6 1 HA ARG 31 HA ARG 31 3.949 -26.361 33.750 2 HB2 ARG 31 HB2 ARG 31 5.066 -26.475 30.925 3 HG2 ARG 31 HG2 ARG 31 2.465 -27.389 32.152 4 HD2 ARG 31 HD2 ARG 31 2.043 -28.664 30.054 5 HE ARG 31 HE ARG 31 4.079 -29.626 31.939 6 HH11 ARG 31 HH11 ARG 31 1.647 -30.477 29.523 7 HH12 ARG 31 HH12 ARG 31 1.600 -32.145 30.000 8 HH21 ARG 31 HH21 ARG 31 3.978 -31.803 32.541 9 HH22 ARG 31 HH22 ARG 31 2.928 -32.896 31.695 10 H ARG 31 HN ARG 31 4.145 -24.381 31.666 11 HB3 ARG 31 HB1 ARG 31 5.033 -27.857 32.013 12 HG3 ARG 31 HG1 ARG 31 2.732 -26.435 30.690 13 HD3 ARG 31 HD1 ARG 31 3.736 -28.457 29.609 No H/Q in entry = 13 In of MODEL 6 1 HA SER 32 HA SER 32 7.890 -24.932 35.206 2 HB2 SER 32 HB2 SER 32 6.423 -24.769 37.217 3 HG SER 32 HG SER 32 8.469 -25.981 38.470 4 H SER 32 HN SER 32 5.326 -26.185 35.379 5 HB3 SER 32 HB1 SER 32 6.669 -26.488 37.526 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 33 HA GLU 33 9.391 -29.427 35.862 2 HB2 GLU 33 HB2 GLU 33 8.475 -31.581 35.587 3 HG2 GLU 33 HG2 GLU 33 7.448 -31.213 33.267 4 H GLU 33 HN GLU 33 6.810 -28.325 35.269 5 HB3 GLU 33 HB1 GLU 33 7.157 -30.626 36.229 6 HG3 GLU 33 HG1 GLU 33 6.626 -32.314 34.370 No H/Q in entry = 6 In of MODEL 6 1 HA GLU 34 HA GLU 34 9.715 -29.641 31.139 2 HB2 GLU 34 HB2 GLU 34 7.272 -27.868 30.730 3 HG2 GLU 34 HG2 GLU 34 6.842 -30.265 31.391 4 H GLU 34 HN GLU 34 7.704 -28.593 32.957 5 HB3 GLU 34 HB1 GLU 34 8.284 -28.473 29.415 6 HG3 GLU 34 HG1 GLU 34 6.128 -29.743 29.859 No H/Q in entry = 6 In of MODEL 6 1 HA3 GLY 35 HA2 GLY 35 10.001 -24.619 32.884 2 H GLY 35 HN GLY 35 9.035 -26.691 32.838 3 HA2 GLY 35 HA1 GLY 35 11.340 -25.275 31.949 No H/Q in entry = 3 In of MODEL 6 1 HA VAL 36 HA VAL 36 8.446 -23.357 28.793 2 HB VAL 36 HB VAL 36 7.296 -24.683 27.156 3 H VAL 36 HN VAL 36 7.967 -25.347 30.941 No H/Q in entry = 3 In of MODEL 6 1 HA ILE 37 HA ILE 37 4.164 -22.426 29.816 2 HB ILE 37 HB ILE 37 4.946 -20.295 27.779 3 HD12 ILE 37 HD11 ILE 37 4.186 -18.117 30.126 4 HD11 ILE 37 HD12 ILE 37 5.522 -17.996 28.981 5 HD13 ILE 37 HD13 ILE 37 5.847 -18.028 30.709 6 H ILE 37 HN ILE 37 6.525 -22.266 28.081 No H/Q in entry = 6 In of MODEL 6 1 HA VAL 38 HA VAL 38 1.998 -23.944 26.234 2 HB VAL 38 HB VAL 38 0.574 -24.972 28.733 3 H VAL 38 HN VAL 38 2.357 -23.247 29.068 No H/Q in entry = 3 In of MODEL 6 1 HA PHE 39 HA PHE 39 -1.185 -20.823 26.271 2 HB2 PHE 39 HB2 PHE 39 0.018 -20.989 23.464 3 HD1 PHE 39 HD1 PHE 39 -0.329 -18.058 25.709 4 HD2 PHE 39 HD2 PHE 39 2.384 -20.907 24.032 5 HE1 PHE 39 HE1 PHE 39 1.564 -16.693 26.464 6 HE2 PHE 39 HE2 PHE 39 4.276 -19.536 24.799 7 HZ PHE 39 HZ PHE 39 3.872 -17.426 26.013 8 H PHE 39 HN PHE 39 0.663 -22.775 25.083 9 HB3 PHE 39 HB1 PHE 39 -1.083 -19.734 24.013 No H/Q in entry = 9 In of MODEL 6 1 HA ILE 40 HA ILE 40 -4.089 -23.890 24.665 2 HB ILE 40 HB ILE 40 -5.412 -22.763 27.177 3 HD13 ILE 40 HD11 ILE 40 -3.886 -25.477 29.324 4 HD12 ILE 40 HD12 ILE 40 -5.507 -25.562 28.636 5 HD11 ILE 40 HD13 ILE 40 -4.939 -24.063 29.376 6 H ILE 40 HN ILE 40 -3.082 -21.934 26.569 No H/Q in entry = 6 In of MODEL 6 1 HA LEU 41 HA LEU 41 -6.310 -20.693 22.515 2 HB2 LEU 41 HB2 LEU 41 -6.193 -23.201 20.807 3 HG LEU 41 HG LEU 41 -4.083 -21.917 20.841 4 HD12 LEU 41 HD11 LEU 41 -5.556 -21.515 18.216 5 HD11 LEU 41 HD12 LEU 41 -4.701 -22.977 18.710 6 HD13 LEU 41 HD13 LEU 41 -3.804 -21.487 18.444 7 HD21 LEU 41 HD21 LEU 41 -5.782 -19.557 19.980 8 HD23 LEU 41 HD22 LEU 41 -4.021 -19.587 20.059 9 HD22 LEU 41 HD23 LEU 41 -4.961 -19.756 21.531 10 H LEU 41 HN LEU 41 -5.200 -23.322 22.934 11 HB3 LEU 41 HB1 LEU 41 -7.072 -21.769 20.282 No H/Q in entry = 11 In of MODEL 6 1 HA ALA 42 HA ALA 42 -10.544 -21.256 23.348 2 HB1 ALA 42 HB1 ALA 42 -10.819 -19.967 20.611 3 HB2 ALA 42 HB2 ALA 42 -10.615 -19.121 22.143 4 HB3 ALA 42 HB3 ALA 42 -12.083 -20.052 21.847 5 H ALA 42 HN ALA 42 -8.509 -20.434 21.550 No H/Q in entry = 5 In of MODEL 6 1 HA ASN 43 HA ASN 43 -11.534 -24.617 20.223 2 HB2 ASN 43 HB2 ASN 43 -10.544 -25.361 18.134 3 HD21 ASN 43 HD21 ASN 43 -8.608 -22.458 18.139 4 HD22 ASN 43 HD22 ASN 43 -7.097 -23.238 17.867 5 H ASN 43 HN ASN 43 -9.307 -22.711 20.448 6 HB3 ASN 43 HB1 ASN 43 -10.586 -23.610 18.110 No H/Q in entry = 6 In of MODEL 6 1 HA ASP 44 HA ASP 44 -7.825 -25.570 23.580 2 HB2 ASP 44 HB2 ASP 44 -9.961 -26.905 23.935 3 H ASP 44 HN ASP 44 -9.275 -24.390 22.347 4 HB3 ASP 44 HB1 ASP 44 -9.397 -28.048 22.729 No H/Q in entry = 4 In of MODEL 6 1 HA ARG 45 HA ARG 45 -4.884 -27.252 20.852 2 HB2 ARG 45 HB2 ARG 45 -5.857 -25.910 18.908 3 HG2 ARG 45 HG2 ARG 45 -2.842 -26.186 19.135 4 HD2 ARG 45 HD2 ARG 45 -4.557 -25.504 16.733 5 HE ARG 45 HE ARG 45 -3.161 -27.040 15.727 6 HH11 ARG 45 HH11 ARG 45 -1.200 -24.810 17.631 7 HH12 ARG 45 HH12 ARG 45 0.294 -25.389 16.970 8 HH21 ARG 45 HH21 ARG 45 -1.190 -27.772 14.885 9 HH22 ARG 45 HH22 ARG 45 0.296 -27.059 15.424 10 H ARG 45 HN ARG 45 -6.500 -24.871 21.573 11 HB3 ARG 45 HB1 ARG 45 -4.803 -24.586 19.399 12 HG3 ARG 45 HG1 ARG 45 -3.978 -27.343 18.429 13 HD3 ARG 45 HD1 ARG 45 -3.154 -24.629 17.366 No H/Q in entry = 13 In of MODEL 6 1 HA GLU 46 HA GLU 46 -2.045 -25.271 23.555 2 HB2 GLU 46 HB2 GLU 46 -1.102 -28.142 23.162 3 HG2 GLU 46 HG2 GLU 46 -2.812 -26.990 25.393 4 H GLU 46 HN GLU 46 -2.912 -27.369 21.709 5 HB3 GLU 46 HB1 GLU 46 -0.552 -27.057 24.439 6 HG3 GLU 46 HG1 GLU 46 -3.417 -28.012 24.084 No H/Q in entry = 6 In of MODEL 6 1 HA LEU 47 HA LEU 47 1.434 -24.492 20.827 2 HB2 LEU 47 HB2 LEU 47 0.137 -21.875 21.585 3 HG LEU 47 HG LEU 47 -0.548 -22.953 19.415 4 HD13 LEU 47 HD11 LEU 47 -0.247 -20.981 17.980 5 HD12 LEU 47 HD12 LEU 47 1.011 -20.369 19.058 6 HD11 LEU 47 HD13 LEU 47 -0.651 -20.504 19.632 7 HD21 LEU 47 HD21 LEU 47 1.568 -24.121 18.928 8 HD23 LEU 47 HD22 LEU 47 2.377 -22.575 18.651 9 HD22 LEU 47 HD23 LEU 47 1.084 -23.101 17.568 10 H LEU 47 HN LEU 47 -0.809 -23.734 22.557 11 HB3 LEU 47 HB1 LEU 47 1.803 -21.851 21.032 No H/Q in entry = 11 In of MODEL 6 1 HA LYS 48 HA LYS 48 3.782 -24.486 24.575 2 HB2 LYS 48 HB2 LYS 48 3.188 -26.804 23.937 3 HG2 LYS 48 HG2 LYS 48 6.121 -26.722 24.706 4 HD2 LYS 48 HD2 LYS 48 3.961 -28.802 25.264 5 HE2 LYS 48 HE2 LYS 48 5.652 -28.657 27.087 6 HZ3 LYS 48 HZ1 LYS 48 7.937 -29.262 26.579 7 HZ2 LYS 48 HZ2 LYS 48 7.519 -27.830 25.776 8 HZ1 LYS 48 HZ3 LYS 48 7.592 -29.289 24.922 9 H LYS 48 HN LYS 48 3.355 -24.935 21.669 10 HB3 LYS 48 HB1 LYS 48 4.553 -26.854 22.827 11 HG3 LYS 48 HG1 LYS 48 4.778 -26.535 25.842 12 HD3 LYS 48 HD1 LYS 48 5.266 -28.979 24.089 13 HE3 LYS 48 HE1 LYS 48 5.744 -30.180 26.198 No H/Q in entry = 13 In of MODEL 6 1 HA PHE 49 HA PHE 49 7.861 -23.079 23.332 2 HB2 PHE 49 HB2 PHE 49 6.123 -20.606 23.744 3 HD1 PHE 49 HD1 PHE 49 8.309 -21.349 20.864 4 HD2 PHE 49 HD2 PHE 49 4.274 -21.272 22.281 5 HE1 PHE 49 HE1 PHE 49 7.487 -21.558 18.554 6 HE2 PHE 49 HE2 PHE 49 3.464 -21.485 19.966 7 HZ PHE 49 HZ PHE 49 5.067 -21.627 18.103 8 H PHE 49 HN PHE 49 5.319 -23.005 24.836 9 HB3 PHE 49 HB1 PHE 49 7.777 -20.563 23.150 No H/Q in entry = 9 In of MODEL 6 1 HA ARG 50 HA ARG 50 9.199 -21.978 27.424 2 HB2 ARG 50 HB2 ARG 50 11.691 -21.366 25.796 3 HG2 ARG 50 HG2 ARG 50 11.983 -23.920 26.911 4 HD2 ARG 50 HD2 ARG 50 12.868 -23.291 24.710 5 HE ARG 50 HE ARG 50 10.784 -22.187 23.829 6 HH11 ARG 50 HH11 ARG 50 11.478 -25.543 23.065 7 HH12 ARG 50 HH12 ARG 50 10.603 -25.501 21.569 8 HH21 ARG 50 HH21 ARG 50 9.687 -22.136 21.855 9 HH22 ARG 50 HH22 ARG 50 9.601 -23.569 20.882 10 H ARG 50 HN ARG 50 9.375 -21.231 24.544 11 HB3 ARG 50 HB1 ARG 50 11.669 -21.776 27.500 12 HG3 ARG 50 HG1 ARG 50 10.342 -23.931 26.275 13 HD3 ARG 50 HD1 ARG 50 11.945 -24.796 24.628 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 51 HA PRO 51 9.407 -17.689 28.964 2 HB2 PRO 51 HB2 PRO 51 11.742 -18.061 30.610 3 HG2 PRO 51 HG2 PRO 51 11.867 -20.361 30.385 4 HD2 PRO 51 HD2 PRO 51 10.197 -21.591 29.277 5 HB3 PRO 51 HB1 PRO 51 10.049 -18.097 31.114 6 HG3 PRO 51 HG1 PRO 51 10.562 -20.311 31.587 7 HD3 PRO 51 HD1 PRO 51 8.879 -20.610 29.959 No H/Q in entry = 7 In of MODEL 6 1 HA ASP 52 HA ASP 52 13.560 -16.147 27.662 2 HB2 ASP 52 HB2 ASP 52 15.248 -18.654 28.019 3 H ASP 52 HN ASP 52 12.838 -18.816 28.553 4 HB3 ASP 52 HB1 ASP 52 15.893 -17.052 27.656 No H/Q in entry = 4 In of MODEL 6 1 HA ASP 53 HA ASP 53 13.453 -18.311 23.511 2 HB2 ASP 53 HB2 ASP 53 12.412 -20.410 24.132 3 H ASP 53 HN ASP 53 12.070 -18.457 26.059 4 HB3 ASP 53 HB1 ASP 53 10.881 -19.627 24.459 No H/Q in entry = 4 In of MODEL 6 1 HA LEU 54 HA LEU 54 9.657 -15.714 22.555 2 HB2 LEU 54 HB2 LEU 54 8.217 -15.962 25.209 3 HG LEU 54 HG LEU 54 8.476 -18.201 24.155 4 HD12 LEU 54 HD11 LEU 54 5.659 -17.081 24.057 5 HD11 LEU 54 HD12 LEU 54 6.492 -17.706 25.484 6 HD13 LEU 54 HD13 LEU 54 6.096 -18.787 24.154 7 HD21 LEU 54 HD21 LEU 54 7.065 -16.928 21.782 8 HD23 LEU 54 HD22 LEU 54 7.363 -18.657 21.986 9 HD22 LEU 54 HD23 LEU 54 8.719 -17.548 21.822 10 H LEU 54 HN LEU 54 10.554 -16.959 25.076 11 HB3 LEU 54 HB1 LEU 54 7.526 -15.345 23.716 No H/Q in entry = 11 In of MODEL 6 1 HA GLN 55 HA GLN 55 10.186 -11.487 23.268 2 HB2 GLN 55 HB2 GLN 55 8.220 -11.447 21.751 3 HG2 GLN 55 HG2 GLN 55 7.079 -9.276 22.476 4 HE21 GLN 55 HE21 GLN 55 8.035 -7.266 21.855 5 HE22 GLN 55 HE22 GLN 55 9.578 -7.219 21.084 6 H GLN 55 HN GLN 55 8.519 -13.634 22.775 7 HB3 GLN 55 HB1 GLN 55 7.137 -11.532 23.125 8 HG3 GLN 55 HG1 GLN 55 8.155 -9.290 23.872 No H/Q in entry = 8 In of MODEL 6 1 HA ALA 56 HA ALA 56 7.549 -10.049 26.959 2 HB3 ALA 56 HB1 ALA 56 5.510 -10.967 28.014 3 HB1 ALA 56 HB2 ALA 56 5.645 -12.430 27.028 4 HB2 ALA 56 HB3 ALA 56 5.326 -10.872 26.260 5 H ALA 56 HN ALA 56 7.167 -12.103 25.051 No H/Q in entry = 5 In of MODEL 6 1 HA THR 57 HA THR 57 8.281 -13.745 29.873 2 HB THR 57 HB THR 57 8.610 -16.167 29.270 3 HG1 THR 57 HG1 THR 57 9.468 -15.416 27.048 4 HG22 THR 57 HG21 THR 57 6.274 -14.879 27.861 5 HG21 THR 57 HG22 THR 57 6.331 -15.231 29.583 6 HG23 THR 57 HG23 THR 57 6.374 -16.548 28.413 7 H THR 57 HN THR 57 8.013 -13.502 27.024 No H/Q in entry = 7 In of MODEL 6 1 HA TYR 58 HA TYR 58 12.765 -14.294 28.065 2 HB2 TYR 58 HB2 TYR 58 12.318 -12.870 26.026 3 HD1 TYR 58 HD1 TYR 58 14.314 -14.707 26.315 4 HD2 TYR 58 HD2 TYR 58 14.759 -10.484 26.774 5 HE1 TYR 58 HE1 TYR 58 16.699 -14.910 25.799 6 HE2 TYR 58 HE2 TYR 58 17.149 -10.687 26.253 7 HH TYR 58 HH TYR 58 18.537 -13.505 24.965 8 H TYR 58 HN TYR 58 10.450 -12.732 27.576 9 HB3 TYR 58 HB1 TYR 58 12.601 -11.441 27.017 No H/Q in entry = 9 In of MODEL 6 1 HA3 GLY 59 HA2 GLY 59 14.760 -13.786 31.960 2 H GLY 59 HN GLY 59 13.658 -14.414 30.043 3 HA2 GLY 59 HA1 GLY 59 14.697 -12.118 31.423 No H/Q in entry = 3 In of MODEL 6 1 HA ALA 60 HA ALA 60 10.810 -12.139 33.873 2 HB3 ALA 60 HB1 ALA 60 8.517 -12.705 33.166 3 HB1 ALA 60 HB2 ALA 60 9.157 -13.708 31.859 4 HB2 ALA 60 HB3 ALA 60 9.419 -11.964 31.843 5 H ALA 60 HN ALA 60 11.629 -13.612 31.473 No H/Q in entry = 5 In of MODEL 6 1 HA THR 61 HA THR 61 11.118 -15.769 36.300 2 HB THR 61 HB THR 61 10.265 -15.228 38.640 3 HG1 THR 61 HG1 THR 61 9.940 -12.573 38.163 4 HG23 THR 61 HG21 THR 61 11.919 -13.477 39.134 5 HG22 THR 61 HG22 THR 61 12.073 -13.109 37.414 6 HG21 THR 61 HG23 THR 61 12.600 -14.678 38.033 7 H THR 61 HN THR 61 10.189 -13.104 35.738 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 62 HA PRO 62 7.486 -18.269 35.699 2 HB2 PRO 62 HB2 PRO 62 7.458 -19.787 38.076 3 HG2 PRO 62 HG2 PRO 62 9.214 -18.675 39.148 4 HD2 PRO 62 HD2 PRO 62 10.737 -17.324 37.979 5 HB3 PRO 62 HB1 PRO 62 8.422 -20.143 36.640 6 HG3 PRO 62 HG1 PRO 62 10.123 -19.896 38.231 7 HD3 PRO 62 HD1 PRO 62 10.711 -18.366 36.535 No H/Q in entry = 7 In of MODEL 6 1 HA GLU 63 HA GLU 63 4.960 -16.754 39.573 2 HB2 GLU 63 HB2 GLU 63 5.429 -14.828 41.056 3 HG2 GLU 63 HG2 GLU 63 8.070 -14.591 39.585 4 H GLU 63 HN GLU 63 7.656 -16.450 38.711 5 HB3 GLU 63 HB1 GLU 63 6.737 -16.009 41.105 6 HG3 GLU 63 HG1 GLU 63 6.763 -13.410 39.541 No H/Q in entry = 6 In of MODEL 6 1 HA GLN 64 HA GLN 64 4.345 -12.641 37.048 2 HB2 GLN 64 HB2 GLN 64 6.945 -13.011 35.489 3 HG2 GLN 64 HG2 GLN 64 6.294 -10.847 37.505 4 HE21 GLN 64 HE21 GLN 64 8.007 -9.438 37.949 5 HE22 GLN 64 HE22 GLN 64 9.360 -9.264 36.893 6 H GLN 64 HN GLN 64 6.592 -14.377 37.515 7 HB3 GLN 64 HB1 GLN 64 5.819 -11.670 35.278 8 HG3 GLN 64 HG1 GLN 64 7.270 -12.268 37.869 No H/Q in entry = 8 In of MODEL 6 1 HA LEU 65 HA LEU 65 3.830 -15.534 33.307 2 HB2 LEU 65 HB2 LEU 65 5.719 -17.735 34.298 3 HG LEU 65 HG LEU 65 7.135 -15.786 33.984 4 HD13 LEU 65 HD11 LEU 65 8.632 -16.544 32.215 5 HD12 LEU 65 HD12 LEU 65 7.373 -17.604 31.577 6 HD11 LEU 65 HD13 LEU 65 8.042 -17.892 33.185 7 HD21 LEU 65 HD21 LEU 65 5.747 -15.389 31.315 8 HD23 LEU 65 HD22 LEU 65 7.213 -14.543 31.820 9 HD22 LEU 65 HD23 LEU 65 5.717 -14.317 32.717 10 H LEU 65 HN LEU 65 5.470 -15.631 35.773 11 HB3 LEU 65 HB1 LEU 65 5.040 -17.564 32.681 No H/Q in entry = 11 In of MODEL 6 1 HA ARG 66 HA ARG 66 0.863 -17.774 35.701 2 HB2 ARG 66 HB2 ARG 66 1.725 -16.752 38.454 3 HG2 ARG 66 HG2 ARG 66 2.300 -19.405 37.114 4 HD2 ARG 66 HD2 ARG 66 3.083 -20.231 39.288 5 HE ARG 66 HE ARG 66 0.347 -19.868 38.732 6 HH11 ARG 66 HH11 ARG 66 2.378 -20.662 41.484 7 HH12 ARG 66 HH12 ARG 66 1.124 -21.543 42.289 8 HH21 ARG 66 HH21 ARG 66 -1.267 -20.999 39.800 9 HH22 ARG 66 HH22 ARG 66 -0.937 -21.751 41.329 10 H ARG 66 HN ARG 66 3.030 -15.852 36.311 11 HB3 ARG 66 HB1 ARG 66 0.447 -17.928 38.123 12 HG3 ARG 66 HG1 ARG 66 3.441 -18.274 37.836 13 HD3 ARG 66 HD1 ARG 66 2.534 -18.743 40.070 No H/Q in entry = 13 In of MODEL 6 1 HA GLU 67 HA GLU 67 -0.886 -13.526 37.096 2 HB2 GLU 67 HB2 GLU 67 1.812 -12.102 37.180 3 HG2 GLU 67 HG2 GLU 67 0.095 -12.955 39.526 4 H GLU 67 HN GLU 67 1.792 -14.591 36.924 5 HB3 GLU 67 HB1 GLU 67 0.264 -11.401 37.652 6 HG3 GLU 67 HG1 GLU 67 1.574 -13.773 39.021 No H/Q in entry = 6 In of MODEL 6 1 HA ILE 68 HA ILE 68 -0.467 -12.495 32.742 2 HB ILE 68 HB ILE 68 -1.508 -15.349 33.043 3 HD11 ILE 68 HD11 ILE 68 0.612 -16.556 31.139 4 HD13 ILE 68 HD12 ILE 68 0.419 -17.121 32.805 5 HD12 ILE 68 HD13 ILE 68 1.989 -16.553 32.237 6 H ILE 68 HN ILE 68 -1.768 -13.756 35.082 No H/Q in entry = 6 In of MODEL 6 1 HA GLU 69 HA GLU 69 -4.762 -12.021 31.401 2 HB2 GLU 69 HB2 GLU 69 -4.131 -9.732 32.199 3 HG2 GLU 69 HG2 GLU 69 -5.388 -8.277 30.707 4 H GLU 69 HN GLU 69 -1.826 -11.592 31.231 5 HB3 GLU 69 HB1 GLU 69 -3.250 -9.444 30.709 6 HG3 GLU 69 HG1 GLU 69 -5.335 -9.492 29.430 No H/Q in entry = 6 In of MODEL 6 1 HA ILE 70 HA ILE 70 -4.151 -12.968 27.046 2 HB ILE 70 HB ILE 70 -7.121 -12.272 27.169 3 HD11 ILE 70 HD11 ILE 70 -4.482 -14.948 27.655 4 HD13 ILE 70 HD12 ILE 70 -5.403 -15.568 26.280 5 HD12 ILE 70 HD13 ILE 70 -5.666 -16.232 27.891 6 H ILE 70 HN ILE 70 -5.807 -11.963 29.218 No H/Q in entry = 6 In of MODEL 6 1 HA SER 71 HA SER 71 -3.122 -9.342 24.762 2 HB2 SER 71 HB2 SER 71 -4.518 -10.951 22.596 3 HG SER 71 HG SER 71 -1.836 -10.327 23.222 4 H SER 71 HN SER 71 -4.124 -11.892 24.826 5 HB3 SER 71 HB1 SER 71 -3.846 -9.362 22.253 No H/Q in entry = 5 In of MODEL 6 1 HA PRO 72 HA PRO 72 -6.652 -6.437 24.913 2 HB2 PRO 72 HB2 PRO 72 -5.628 -4.382 23.366 3 HG2 PRO 72 HG2 PRO 72 -3.741 -5.525 22.532 4 HD2 PRO 72 HD2 PRO 72 -2.857 -7.402 23.628 5 HB3 PRO 72 HB1 PRO 72 -5.163 -4.661 25.051 6 HG3 PRO 72 HG1 PRO 72 -3.070 -4.750 23.986 7 HD3 PRO 72 HD1 PRO 72 -3.162 -6.731 25.246 No H/Q in entry = 7 In of MODEL 6 1 HA SER 73 HA SER 73 -7.552 -7.005 20.286 2 HB2 SER 73 HB2 SER 73 -4.907 -8.327 19.534 3 HG SER 73 HG SER 73 -4.277 -6.334 18.859 4 H SER 73 HN SER 73 -5.154 -7.469 21.895 5 HB3 SER 73 HB1 SER 73 -6.163 -7.780 18.416 No H/Q in entry = 5 In of MODEL 6 1 HA3 GLY 74 HA2 GLY 74 -7.701 -11.275 23.072 2 H GLY 74 HN GLY 74 -6.567 -9.372 22.433 3 HA2 GLY 74 HA1 GLY 74 -8.659 -11.205 21.609 No H/Q in entry = 3 In of MODEL 6 1 HA LEU 75 HA LEU 75 -5.898 -13.655 19.098 2 HB2 LEU 75 HB2 LEU 75 -3.899 -11.392 19.045 3 HG LEU 75 HG LEU 75 -5.934 -11.323 17.503 4 HD12 LEU 75 HD11 LEU 75 -4.652 -10.613 15.535 5 HD11 LEU 75 HD12 LEU 75 -3.200 -11.365 16.200 6 HD13 LEU 75 HD13 LEU 75 -3.947 -9.996 17.029 7 HD21 LEU 75 HD21 LEU 75 -4.511 -13.659 16.173 8 HD23 LEU 75 HD22 LEU 75 -5.886 -12.779 15.500 9 HD22 LEU 75 HD23 LEU 75 -6.082 -13.718 16.979 10 H LEU 75 HN LEU 75 -6.003 -11.080 20.049 11 HB3 LEU 75 HB1 LEU 75 -3.480 -12.932 18.310 No H/Q in entry = 11 In of MODEL 6 1 HA3 GLY 76 HA2 GLY 76 -2.403 -15.073 21.726 2 H GLY 76 HN GLY 76 -3.102 -12.322 20.894 3 HA2 GLY 76 HA1 GLY 76 -1.299 -13.705 21.595 No H/Q in entry = 3 In of MODEL 6 1 HA VAL 77 HA VAL 77 -2.525 -12.898 25.731 2 HB VAL 77 HB VAL 77 -0.854 -14.964 25.568 3 H VAL 77 HN VAL 77 -0.701 -12.896 23.437 No H/Q in entry = 3 In of MODEL 6 1 HA TYR 78 HA TYR 78 0.215 -9.474 26.743 2 HB2 TYR 78 HB2 TYR 78 -1.858 -8.394 25.945 3 HD1 TYR 78 HD1 TYR 78 -2.544 -7.051 29.204 4 HD2 TYR 78 HD2 TYR 78 0.251 -6.858 25.972 5 HE1 TYR 78 HE1 TYR 78 -1.760 -4.864 30.011 6 HE2 TYR 78 HE2 TYR 78 1.037 -4.677 26.782 7 HH TYR 78 HH TYR 78 0.188 -3.441 29.861 8 H TYR 78 HN TYR 78 -2.025 -11.320 27.261 9 HB3 TYR 78 HB1 TYR 78 -2.650 -8.706 27.482 No H/Q in entry = 9 In of MODEL 6 1 HA PHE 79 HA PHE 79 0.523 -10.808 31.011 2 HB2 PHE 79 HB2 PHE 79 3.400 -10.370 30.121 3 HD1 PHE 79 HD1 PHE 79 0.640 -12.782 30.340 4 HD2 PHE 79 HD2 PHE 79 4.649 -12.272 29.521 5 HE1 PHE 79 HE1 PHE 79 0.686 -14.973 29.258 6 HE2 PHE 79 HE2 PHE 79 4.669 -14.452 28.476 7 HZ PHE 79 HZ PHE 79 2.736 -15.834 28.338 8 H PHE 79 HN PHE 79 1.497 -10.277 28.358 9 HB3 PHE 79 HB1 PHE 79 2.876 -11.065 31.658 No H/Q in entry = 9 In of MODEL 6 1 HA GLU 80 HA GLU 80 -0.007 -6.468 31.467 2 HB2 GLU 80 HB2 GLU 80 -2.137 -7.611 32.200 3 HG2 GLU 80 HG2 GLU 80 -1.385 -5.391 34.113 4 H GLU 80 HN GLU 80 -0.378 -9.222 31.941 5 HB3 GLU 80 HB1 GLU 80 -1.442 -7.802 33.803 6 HG3 GLU 80 HG1 GLU 80 -1.923 -5.132 32.457 No H/Q in entry = 6 In of MODEL 6 1 HA THR 81 HA THR 81 2.369 -6.878 35.755 2 HB THR 81 HB THR 81 3.317 -9.688 35.027 3 HG1 THR 81 HG1 THR 81 1.543 -10.386 35.909 4 HG23 THR 81 HG21 THR 81 4.863 -8.519 36.560 5 HG22 THR 81 HG22 THR 81 4.026 -9.828 37.397 6 HG21 THR 81 HG23 THR 81 3.523 -8.154 37.650 7 H THR 81 HN THR 81 1.180 -8.652 33.934 No H/Q in entry = 7 In of MODEL 6 1 HA LEU 82 HA LEU 82 6.186 -7.008 32.949 2 HB2 LEU 82 HB2 LEU 82 5.131 -8.555 30.555 3 HG LEU 82 HG LEU 82 4.806 -10.136 32.377 4 HD13 LEU 82 HD11 LEU 82 6.276 -11.940 31.663 5 HD12 LEU 82 HD12 LEU 82 7.356 -10.787 30.876 6 HD11 LEU 82 HD13 LEU 82 5.712 -11.009 30.276 7 HD21 LEU 82 HD21 LEU 82 7.668 -9.583 33.197 8 HD23 LEU 82 HD22 LEU 82 6.618 -10.847 33.845 9 HD22 LEU 82 HD23 LEU 82 6.208 -9.156 34.095 10 H LEU 82 HN LEU 82 3.517 -8.208 32.687 11 HB3 LEU 82 HB1 LEU 82 6.805 -8.284 31.019 No H/Q in entry = 11 In of MODEL 6 1 HA GLU 83 HA GLU 83 2.199 -4.876 30.151 2 HB2 GLU 83 HB2 GLU 83 4.765 -3.280 30.561 3 HG2 GLU 83 HG2 GLU 83 1.987 -2.913 31.718 4 H GLU 83 HN GLU 83 3.125 -6.194 31.732 5 HB3 GLU 83 HB1 GLU 83 3.356 -2.685 29.679 6 HG3 GLU 83 HG1 GLU 83 3.394 -3.494 32.605 No H/Q in entry = 6 In of MODEL 6 1 HA GLU 84 HA GLU 84 4.635 -6.361 26.571 2 HB2 GLU 84 HB2 GLU 84 5.556 -8.545 28.478 3 HG2 GLU 84 HG2 GLU 84 6.824 -6.401 28.583 4 H GLU 84 HN GLU 84 3.732 -7.123 29.290 5 HB3 GLU 84 HB1 GLU 84 5.886 -8.634 26.753 6 HG3 GLU 84 HG1 GLU 84 7.792 -7.793 28.093 No H/Q in entry = 6 In of MODEL 6 1 HA ASP 85 HA ASP 85 1.768 -9.582 25.323 2 HB2 ASP 85 HB2 ASP 85 1.301 -7.344 24.273 3 H ASP 85 HN ASP 85 4.235 -7.982 24.937 4 HB3 ASP 85 HB1 ASP 85 2.437 -7.707 22.992 No H/Q in entry = 4 In of MODEL 6 1 HA VAL 86 HA VAL 86 4.140 -12.293 22.650 2 HB VAL 86 HB VAL 86 2.525 -14.323 24.305 3 H VAL 86 HN VAL 86 2.100 -11.651 24.697 No H/Q in entry = 3 In of MODEL 6 1 HA SER 87 HA SER 87 0.467 -11.911 20.108 2 HB2 SER 87 HB2 SER 87 2.885 -11.799 18.258 3 HG SER 87 HG SER 87 1.670 -9.962 19.886 4 H SER 87 HN SER 87 3.190 -11.735 20.775 5 HB3 SER 87 HB1 SER 87 1.216 -11.457 17.787 No H/Q in entry = 5 In of MODEL 6 1 HA LEU 88 HA LEU 88 0.050 -16.270 19.444 2 HB2 LEU 88 HB2 LEU 88 -2.312 -15.350 19.772 3 HG LEU 88 HG LEU 88 -2.027 -17.639 17.807 4 HD13 LEU 88 HD11 LEU 88 -2.344 -19.059 19.786 5 HD12 LEU 88 HD12 LEU 88 -2.407 -17.627 20.816 6 HD11 LEU 88 HD13 LEU 88 -0.919 -18.032 19.954 7 HD21 LEU 88 HD21 LEU 88 -4.283 -16.650 17.635 8 HD23 LEU 88 HD22 LEU 88 -4.494 -16.820 19.380 9 HD22 LEU 88 HD23 LEU 88 -4.332 -18.254 18.366 10 H LEU 88 HN LEU 88 -0.760 -13.594 19.546 11 HB3 LEU 88 HB1 LEU 88 -2.398 -15.141 18.038 No H/Q in entry = 11 In of MODEL 6 1 HA ILE 89 HA ILE 89 -0.269 -15.652 14.649 2 HB ILE 89 HB ILE 89 0.298 -12.651 14.737 3 HD12 ILE 89 HD11 ILE 89 -2.453 -15.236 14.992 4 HD11 ILE 89 HD12 ILE 89 -2.544 -14.762 13.292 5 HD13 ILE 89 HD13 ILE 89 -3.712 -14.128 14.448 6 H ILE 89 HN ILE 89 -0.575 -13.950 16.863 No H/Q in entry = 6 In of MODEL 6 1 HA3 GLY 90 HA2 GLY 90 4.376 -14.035 14.994 2 H GLY 90 HN GLY 90 2.027 -13.622 16.439 3 HA2 GLY 90 HA1 GLY 90 4.293 -13.757 16.732 No H/Q in entry = 3 In of MODEL 6 1 HA LEU 91 HA LEU 91 4.935 -18.017 17.764 2 HB2 LEU 91 HB2 LEU 91 1.943 -18.275 18.284 3 HG LEU 91 HG LEU 91 2.886 -16.553 19.773 4 HD13 LEU 91 HD11 LEU 91 2.265 -17.542 21.940 5 HD12 LEU 91 HD12 LEU 91 2.328 -19.159 21.229 6 HD11 LEU 91 HD13 LEU 91 1.130 -17.991 20.665 7 HD22 LEU 91 HD21 LEU 91 5.236 -17.164 19.727 8 HD21 LEU 91 HD22 LEU 91 4.907 -18.670 20.587 9 HD23 LEU 91 HD23 LEU 91 4.672 -17.120 21.397 10 H LEU 91 HN LEU 91 2.888 -16.064 17.529 11 HB3 LEU 91 HB1 LEU 91 3.155 -19.435 18.814 No H/Q in entry = 11 In of MODEL 6 1 HA LEU 92 HA LEU 92 2.241 -20.270 14.410 2 HB2 LEU 92 HB2 LEU 92 0.893 -17.694 13.523 3 HG LEU 92 HG LEU 92 0.010 -18.480 15.725 4 HD11 LEU 92 HD11 LEU 92 -1.458 -17.265 14.204 5 HD13 LEU 92 HD12 LEU 92 -2.362 -18.466 15.124 6 HD12 LEU 92 HD13 LEU 92 -1.954 -18.776 13.432 7 HD22 LEU 92 HD21 LEU 92 -1.226 -20.600 15.859 8 HD21 LEU 92 HD22 LEU 92 0.479 -20.863 15.512 9 HD23 LEU 92 HD23 LEU 92 -0.716 -21.012 14.220 10 H LEU 92 HN LEU 92 2.108 -17.720 15.689 11 HB3 LEU 92 HB1 LEU 92 0.579 -19.286 12.842 No H/Q in entry = 11 In of MODEL 6 1 HA GLU 93 HA GLU 93 4.742 -17.808 11.162 2 HB2 GLU 93 HB2 GLU 93 5.349 -15.379 12.918 3 HG2 GLU 93 HG2 GLU 93 2.991 -15.269 12.400 4 H GLU 93 HN GLU 93 3.670 -17.121 13.783 5 HB3 GLU 93 HB1 GLU 93 5.763 -15.566 11.214 6 HG3 GLU 93 HG1 GLU 93 3.865 -14.096 11.429 No H/Q in entry = 6 In of MODEL 6 1 HA3 GLY 94 HA2 GLY 94 7.505 -19.446 15.232 2 H GLY 94 HN GLY 94 5.645 -18.343 14.384 3 HA2 GLY 94 HA1 GLY 94 8.340 -19.232 13.701 No H/Q in entry = 3 In of MODEL 6 1 HA ARG 95 HA ARG 95 9.586 -15.105 15.304 2 HB2 ARG 95 HB2 ARG 95 6.926 -14.082 14.359 3 HG2 ARG 95 HG2 ARG 95 8.273 -12.300 13.296 4 HD2 ARG 95 HD2 ARG 95 9.339 -15.091 12.768 5 HE ARG 95 HE ARG 95 10.724 -13.151 11.847 6 HH11 ARG 95 HH11 ARG 95 7.995 -14.497 10.084 7 HH12 ARG 95 HH12 ARG 95 8.621 -14.034 8.538 8 HH21 ARG 95 HH21 ARG 95 11.519 -12.549 9.831 9 HH22 ARG 95 HH22 ARG 95 10.633 -12.941 8.394 10 H ARG 95 HN ARG 95 7.188 -16.269 14.277 11 HB3 ARG 95 HB1 ARG 95 7.749 -13.064 15.524 12 HG3 ARG 95 HG1 ARG 95 9.729 -12.952 14.046 13 HD3 ARG 95 HD1 ARG 95 7.998 -14.286 11.939 No H/Q in entry = 13 In of MODEL 6 1 HA ARG 96 HA ARG 96 8.256 -16.303 19.431 2 HB2 ARG 96 HB2 ARG 96 11.235 -15.721 19.685 3 HG2 ARG 96 HG2 ARG 96 11.069 -17.426 17.956 4 HD2 ARG 96 HD2 ARG 96 9.533 -19.183 19.893 5 HE ARG 96 HE ARG 96 9.763 -19.624 16.991 6 HH11 ARG 96 HH11 ARG 96 10.602 -20.722 20.234 7 HH12 ARG 96 HH12 ARG 96 11.192 -22.254 19.672 8 HH21 ARG 96 HH21 ARG 96 10.558 -21.637 16.301 9 HH22 ARG 96 HH22 ARG 96 11.148 -22.775 17.466 10 H ARG 96 HN ARG 96 10.074 -15.809 17.308 11 HB3 ARG 96 HB1 ARG 96 10.237 -16.672 20.783 12 HG3 ARG 96 HG1 ARG 96 11.656 -18.140 19.459 13 HD3 ARG 96 HD1 ARG 96 8.745 -18.270 18.608 No H/Q in entry = 13 In of MODEL 6 1 HA3 GLY 97 HA2 GLY 97 8.576 -11.745 20.046 2 H GLY 97 HN GLY 97 10.468 -13.626 18.734 3 HA2 GLY 97 HA1 GLY 97 10.322 -11.482 19.984 No H/Q in entry = 3 In of MODEL 6 1 HA SER 98 HA SER 98 9.027 -9.635 16.080 2 HB2 SER 98 HB2 SER 98 10.047 -7.319 15.896 3 HG SER 98 HG SER 98 10.496 -6.676 18.332 4 H SER 98 HN SER 98 10.082 -9.519 18.787 5 HB3 SER 98 HB1 SER 98 8.903 -7.489 17.227 No H/Q in entry = 5 In of MODEL 6 1 HA ALA 99 HA ALA 99 12.569 -11.069 13.904 2 HB1 ALA 99 HB1 ALA 99 11.335 -10.136 11.982 3 HB2 ALA 99 HB2 ALA 99 13.077 -9.970 11.756 4 HB3 ALA 99 HB3 ALA 99 12.110 -8.569 12.235 5 H ALA 99 HN ALA 99 10.511 -9.167 14.173 No H/Q in entry = 5 In of MODEL 6 1 HA LYS 100 HA LYS 100 15.535 -7.233 14.510 2 HB2 LYS 100 HB2 LYS 100 15.080 -5.113 15.698 3 HG2 LYS 100 HG2 LYS 100 12.206 -6.061 15.854 4 HD2 LYS 100 HD2 LYS 100 12.271 -3.690 15.168 5 HE2 LYS 100 HE2 LYS 100 14.464 -3.009 16.038 6 HZ3 LYS 100 HZ1 LYS 100 14.609 -2.478 18.441 7 HZ2 LYS 100 HZ2 LYS 100 14.600 -4.130 18.101 8 HZ1 LYS 100 HZ3 LYS 100 13.206 -3.381 18.693 9 H LYS 100 HN LYS 100 12.769 -7.545 14.346 10 HB3 LYS 100 HB1 LYS 100 14.022 -5.326 14.310 11 HG3 LYS 100 HG1 LYS 100 13.262 -5.716 17.226 12 HD3 LYS 100 HD1 LYS 100 11.658 -3.877 16.812 13 HE3 LYS 100 HE1 LYS 100 13.179 -1.968 16.654 No H/Q in entry = 13 In of MODEL 6 1 HA TRP 101 HA TRP 101 14.883 -7.924 19.321 2 HB2 TRP 101 HB2 TRP 101 12.440 -8.027 19.564 3 HD1 TRP 101 HD1 TRP 101 13.276 -7.825 22.129 4 HE1 TRP 101 HE1 TRP 101 13.396 -9.564 24.016 5 HE3 TRP 101 HE3 TRP 101 12.885 -12.092 19.352 6 HZ2 TRP 101 HZ2 TRP 101 13.337 -12.369 24.291 7 HZ3 TRP 101 HZ3 TRP 101 12.922 -14.268 20.496 8 HH2 TRP 101 HH2 TRP 101 13.147 -14.403 22.928 9 H TRP 101 HN TRP 101 13.179 -8.040 17.080 10 HB3 TRP 101 HB1 TRP 101 12.397 -9.635 18.852 No H/Q in entry = 10 In of MODEL 6 1 HA MET 102 HA MET 102 15.645 -12.583 18.509 2 HB2 MET 102 HB2 MET 102 14.593 -12.575 15.654 3 HG2 MET 102 HG2 MET 102 13.530 -13.886 18.165 4 HE2 MET 102 HE1 MET 102 13.290 -13.689 14.191 5 HE1 MET 102 HE2 MET 102 11.760 -13.011 14.749 6 HE3 MET 102 HE3 MET 102 11.787 -14.574 13.933 7 H MET 102 HN MET 102 14.146 -10.595 17.092 8 HB3 MET 102 HB1 MET 102 15.336 -13.972 16.426 9 HG3 MET 102 HG1 MET 102 12.750 -12.611 17.231 No H/Q in entry = 9 In of MODEL 6 1 HA ALA 103 HA ALA 103 19.091 -11.274 15.526 2 HB1 ALA 103 HB1 ALA 103 17.990 -8.481 15.036 3 HB3 ALA 103 HB2 ALA 103 17.895 -9.843 13.919 4 HB2 ALA 103 HB3 ALA 103 19.466 -9.146 14.323 5 H ALA 103 HN ALA 103 16.542 -10.067 16.283 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 104 HA GLU 104 20.419 -7.978 18.754 2 HB2 GLU 104 HB2 GLU 104 17.624 -7.360 19.811 3 HG2 GLU 104 HG2 GLU 104 19.221 -5.756 17.811 4 H GLU 104 HN GLU 104 17.827 -8.877 17.762 5 HB3 GLU 104 HB1 GLU 104 19.102 -6.459 20.152 6 HG3 GLU 104 HG1 GLU 104 17.817 -6.707 17.422 No H/Q in entry = 6 In of MODEL 6 1 HA HIS 105 HA HIS 105 19.628 -11.283 21.838 2 HB2 HIS 105 HB2 HIS 105 16.567 -11.421 21.706 3 HD1 HIS 105 HD1 HIS 105 18.342 -10.126 24.714 4 HD2 HIS 105 HD2 HIS 105 16.147 -8.629 21.518 5 HE1 HIS 105 HE1 HIS 105 17.717 -7.780 25.361 6 HE2 HIS 105 HE2 HIS 105 16.522 -6.849 23.351 7 H HIS 105 HN HIS 105 18.090 -10.373 19.492 8 HB3 HIS 105 HB1 HIS 105 17.585 -11.936 23.044 No H/Q in entry = 8 In of MODEL 6 1 HA PRO 106 HA PRO 106 19.212 -14.537 18.425 2 HB2 PRO 106 HB2 PRO 106 21.941 -15.166 19.549 3 HG2 PRO 106 HG2 PRO 106 22.892 -13.136 18.842 4 HD2 PRO 106 HD2 PRO 106 21.653 -12.468 20.732 5 HB3 PRO 106 HB1 PRO 106 21.397 -15.124 17.864 6 HG3 PRO 106 HG1 PRO 106 21.549 -12.791 17.731 7 HD3 PRO 106 HD1 PRO 106 20.930 -11.404 19.506 No H/Q in entry = 7 In of MODEL 6 1 HA LEU 107 HA LEU 107 17.441 -16.990 21.516 2 HB2 LEU 107 HB2 LEU 107 16.173 -17.640 19.498 3 HG LEU 107 HG LEU 107 16.826 -20.153 21.100 4 HD13 LEU 107 HD11 LEU 107 16.130 -18.374 22.606 5 HD12 LEU 107 HD12 LEU 107 14.862 -19.590 22.472 6 HD11 LEU 107 HD13 LEU 107 14.702 -18.054 21.617 7 HD21 LEU 107 HD21 LEU 107 14.401 -19.500 19.393 8 HD23 LEU 107 HD22 LEU 107 14.595 -20.938 20.399 9 HD22 LEU 107 HD23 LEU 107 15.659 -20.682 19.016 10 H LEU 107 HN LEU 107 18.304 -16.461 18.902 11 HB3 LEU 107 HB1 LEU 107 17.401 -18.825 19.087 No H/Q in entry = 11 In of MODEL 6 1 HA ALA 108 HA ALA 108 20.696 -19.491 23.202 2 HB3 ALA 108 HB1 ALA 108 18.364 -19.880 25.123 3 HB2 ALA 108 HB2 ALA 108 19.601 -18.628 25.240 4 HB1 ALA 108 HB3 ALA 108 20.047 -20.324 25.436 5 H ALA 108 HN ALA 108 18.085 -18.332 23.134 No H/Q in entry = 5 In of MODEL 6 1 HA SER 109 HA SER 109 19.701 -23.560 21.908 2 HB2 SER 109 HB2 SER 109 17.983 -22.389 20.444 3 HG SER 109 HG SER 109 18.649 -24.732 20.273 4 H SER 109 HN SER 109 20.712 -20.870 21.403 5 HB3 SER 109 HB1 SER 109 19.233 -22.182 19.219 No H/Q in entry = 5 In of MODEL 7 1 H1 MET 1 HT1 MET 1 1.092 3.176 -2.739 2 H2 MET 1 HT3 MET 1 2.731 3.003 -2.368 3 H3 MET 1 HT2 MET 1 1.848 4.275 -1.703 4 HB3 MET 1 HB1 MET 1 3.374 2.896 -4.661 5 HG3 MET 1 HG1 MET 1 0.754 3.728 -5.925 6 HA MET 1 HA MET 1 3.210 5.128 -3.449 7 HB2 MET 1 HB2 MET 1 3.143 4.279 -5.718 8 HG2 MET 1 HG2 MET 1 0.988 2.333 -4.873 9 HE2 MET 1 HE1 MET 1 0.387 0.841 -8.492 10 HE1 MET 1 HE2 MET 1 -0.304 2.330 -7.849 11 HE3 MET 1 HE3 MET 1 -0.216 0.888 -6.835 No H/Q in entry = 11 In of MODEL 7 1 HA GLU 2 HA GLU 2 -0.975 6.957 -4.214 2 HB2 GLU 2 HB2 GLU 2 -3.133 5.421 -4.102 3 HG2 GLU 2 HG2 GLU 2 -2.749 3.032 -4.287 4 H GLU 2 HN GLU 2 0.202 4.998 -2.396 5 HB3 GLU 2 HB1 GLU 2 -1.898 5.111 -5.303 6 HG3 GLU 2 HG1 GLU 2 -1.022 3.243 -4.035 No H/Q in entry = 6 In of MODEL 7 1 HA VAL 3 HA VAL 3 -2.961 8.328 -0.568 2 HB VAL 3 HB VAL 3 -5.567 8.375 -2.162 3 H VAL 3 HN VAL 3 -3.416 7.283 -3.231 No H/Q in entry = 3 In of MODEL 7 1 HA SER 4 HA SER 4 -4.649 4.369 0.873 2 HB2 SER 4 HB2 SER 4 -2.939 3.472 2.564 3 HG SER 4 HG SER 4 -0.864 4.840 1.584 4 H SER 4 HN SER 4 -2.563 6.334 0.469 5 HB3 SER 4 HB1 SER 4 -2.373 3.579 0.897 No H/Q in entry = 5 In of MODEL 7 1 HA ALA 5 HA ALA 5 -3.857 8.447 4.277 2 HB3 ALA 5 HB1 ALA 5 -6.631 7.519 3.440 3 HB2 ALA 5 HB2 ALA 5 -5.677 8.762 2.628 4 HB1 ALA 5 HB3 ALA 5 -6.247 9.028 4.276 5 H ALA 5 HN ALA 5 -3.116 6.977 2.736 No H/Q in entry = 5 In of MODEL 7 1 HA ASN 6 HA ASN 6 -3.933 3.955 6.655 2 HB2 ASN 6 HB2 ASN 6 -2.859 5.788 7.953 3 HD21 ASN 6 HD21 ASN 6 -2.264 3.747 8.904 4 HD22 ASN 6 HD22 ASN 6 -2.987 3.232 10.384 5 H ASN 6 HN ASN 6 -3.694 5.397 4.954 6 HB3 ASN 6 HB1 ASN 6 -4.438 6.455 8.334 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 7 HA GLU 7 -8.643 4.731 7.107 2 HB2 GLU 7 HB2 GLU 7 -10.131 5.420 5.284 3 HG2 GLU 7 HG2 GLU 7 -7.700 5.929 3.547 4 H GLU 7 HN GLU 7 -6.483 5.315 5.263 5 HB3 GLU 7 HB1 GLU 7 -8.853 6.605 5.528 6 HG3 GLU 7 HG1 GLU 7 -8.682 4.475 3.378 No H/Q in entry = 6 In of MODEL 7 1 HA LEU 8 HA LEU 8 -8.574 0.988 3.968 2 HB2 LEU 8 HB2 LEU 8 -6.351 -0.432 3.878 3 HG LEU 8 HG LEU 8 -5.117 2.337 4.218 4 HD11 LEU 8 HD11 LEU 8 -4.494 -0.229 5.707 5 HD13 LEU 8 HD12 LEU 8 -5.301 1.194 6.366 6 HD12 LEU 8 HD13 LEU 8 -3.616 1.298 5.864 7 HD21 LEU 8 HD21 LEU 8 -4.265 1.239 2.201 8 HD23 LEU 8 HD22 LEU 8 -3.846 -0.200 3.136 9 HD22 LEU 8 HD23 LEU 8 -3.014 1.328 3.440 10 H LEU 8 HN LEU 8 -6.842 3.025 4.734 11 HB3 LEU 8 HB1 LEU 8 -6.609 0.901 2.781 No H/Q in entry = 11 In of MODEL 7 1 HA GLU 9 HA GLU 9 -6.858 0.474 9.001 2 HB2 GLU 9 HB2 GLU 9 -8.991 -0.204 10.029 3 HG2 GLU 9 HG2 GLU 9 -10.289 0.140 7.313 4 H GLU 9 HN GLU 9 -7.068 1.558 7.029 5 HB3 GLU 9 HB1 GLU 9 -9.157 1.303 9.139 6 HG3 GLU 9 HG1 GLU 9 -10.041 -1.412 8.115 No H/Q in entry = 6 In of MODEL 7 1 HA ALA 10 HA ALA 10 -6.948 -3.627 6.598 2 HB1 ALA 10 HB1 ALA 10 -5.471 -2.560 4.958 3 HB3 ALA 10 HB2 ALA 10 -4.874 -4.162 5.399 4 HB2 ALA 10 HB3 ALA 10 -4.105 -2.715 6.064 5 H ALA 10 HN ALA 10 -5.834 -1.084 6.943 No H/Q in entry = 5 In of MODEL 7 1 HA ALA 11 HA ALA 11 -3.451 -5.009 9.684 2 HB2 ALA 11 HB1 ALA 11 -2.165 -2.931 9.959 3 HB3 ALA 11 HB2 ALA 11 -2.390 -3.748 11.506 4 HB1 ALA 11 HB3 ALA 11 -3.362 -2.328 11.103 5 H ALA 11 HN ALA 11 -4.341 -2.500 8.743 No H/Q in entry = 5 In of MODEL 7 1 HA SER 12 HA SER 12 -6.552 -4.197 13.349 2 HB2 SER 12 HB2 SER 12 -7.070 -1.786 13.020 3 HG SER 12 HG SER 12 -9.475 -3.260 13.307 4 H SER 12 HN SER 12 -5.880 -2.757 10.990 5 HB3 SER 12 HB1 SER 12 -8.222 -2.201 11.753 No H/Q in entry = 5 In of MODEL 7 1 HA SER 13 HA SER 13 -10.216 -5.755 10.488 2 HB2 SER 13 HB2 SER 13 -8.600 -5.274 7.941 3 HG SER 13 HG SER 13 -9.544 -3.402 9.074 4 H SER 13 HN SER 13 -8.038 -4.034 10.131 5 HB3 SER 13 HB1 SER 13 -10.238 -5.936 8.016 No H/Q in entry = 5 In of MODEL 7 1 HA ARG 14 HA ARG 14 -7.082 -9.122 8.895 2 HB2 ARG 14 HB2 ARG 14 -4.726 -7.350 9.632 3 HG2 ARG 14 HG2 ARG 14 -5.590 -7.175 7.304 4 HD2 ARG 14 HD2 ARG 14 -6.451 -9.430 6.928 5 HE ARG 14 HE ARG 14 -4.296 -10.471 8.104 6 HH11 ARG 14 HH11 ARG 14 -5.378 -10.838 4.780 7 HH12 ARG 14 HH12 ARG 14 -4.671 -12.412 4.617 8 HH21 ARG 14 HH21 ARG 14 -3.391 -12.522 7.860 9 HH22 ARG 14 HH22 ARG 14 -3.557 -13.358 6.351 10 H ARG 14 HN ARG 14 -6.882 -6.381 9.494 11 HB3 ARG 14 HB1 ARG 14 -4.504 -9.082 9.407 12 HG3 ARG 14 HG1 ARG 14 -3.932 -7.782 7.382 13 HD3 ARG 14 HD1 ARG 14 -5.203 -9.052 5.734 No H/Q in entry = 13 In of MODEL 7 1 HA MET 15 HA MET 15 -5.571 -9.635 13.523 2 HB2 MET 15 HB2 MET 15 -7.071 -7.128 14.402 3 HG2 MET 15 HG2 MET 15 -4.887 -6.509 13.525 4 HE1 MET 15 HE1 MET 15 -2.772 -7.434 12.414 5 HE3 MET 15 HE2 MET 15 -3.784 -8.880 12.357 6 HE2 MET 15 HE3 MET 15 -2.098 -9.001 12.859 7 H MET 15 HN MET 15 -6.294 -7.430 11.954 8 HB3 MET 15 HB1 MET 15 -6.332 -8.286 15.502 9 HG3 MET 15 HG1 MET 15 -4.917 -6.340 15.275 No H/Q in entry = 9 In of MODEL 7 1 HA GLU 16 HA GLU 16 -10.306 -9.973 14.580 2 HB2 GLU 16 HB2 GLU 16 -11.195 -8.311 12.184 3 HG2 GLU 16 HG2 GLU 16 -11.125 -7.553 15.119 4 H GLU 16 HN GLU 16 -8.767 -8.199 12.977 5 HB3 GLU 16 HB1 GLU 16 -12.246 -8.973 13.440 6 HG3 GLU 16 HG1 GLU 16 -10.078 -6.893 13.861 No H/Q in entry = 6 In of MODEL 7 1 HA MET 17 HA MET 17 -10.977 -12.162 10.246 2 HB2 MET 17 HB2 MET 17 -8.322 -11.030 9.265 3 HG2 MET 17 HG2 MET 17 -11.019 -10.900 7.904 4 HE2 MET 17 HE1 MET 17 -9.892 -8.141 5.277 5 HE1 MET 17 HE2 MET 17 -10.614 -7.865 6.862 6 HE3 MET 17 HE3 MET 17 -11.235 -9.147 5.818 7 H MET 17 HN MET 17 -9.431 -9.987 11.158 8 HB3 MET 17 HB1 MET 17 -9.156 -12.335 8.430 9 HG3 MET 17 HG1 MET 17 -10.375 -9.607 8.923 No H/Q in entry = 9 In of MODEL 7 1 HA LEU 18 HA LEU 18 -7.056 -14.762 11.282 2 HB2 LEU 18 HB2 LEU 18 -5.824 -12.704 13.161 3 HG LEU 18 HG LEU 18 -5.601 -11.976 10.791 4 HD11 LEU 18 HD11 LEU 18 -3.836 -11.394 12.357 5 HD13 LEU 18 HD12 LEU 18 -3.184 -11.660 10.743 6 HD12 LEU 18 HD13 LEU 18 -2.985 -12.898 11.989 7 HD22 LEU 18 HD21 LEU 18 -4.293 -13.257 9.174 8 HD21 LEU 18 HD22 LEU 18 -5.742 -14.133 9.664 9 HD23 LEU 18 HD23 LEU 18 -4.169 -14.593 10.320 10 H LEU 18 HN LEU 18 -7.729 -12.006 11.678 11 HB3 LEU 18 HB1 LEU 18 -5.108 -14.255 12.743 No H/Q in entry = 11 In of MODEL 7 1 HA GLN 19 HA GLN 19 -8.580 -14.774 15.989 2 HB2 GLN 19 HB2 GLN 19 -10.708 -12.718 15.233 3 HG2 GLN 19 HG2 GLN 19 -8.611 -12.521 17.405 4 HE21 GLN 19 HE21 GLN 19 -8.535 -9.634 16.654 5 HE22 GLN 19 HE22 GLN 19 -9.911 -8.940 17.429 6 H GLN 19 HN GLN 19 -8.589 -12.917 13.868 7 HB3 GLN 19 HB1 GLN 19 -10.690 -13.598 16.757 8 HG3 GLN 19 HG1 GLN 19 -8.498 -11.726 15.838 No H/Q in entry = 8 In of MODEL 7 1 HA ARG 20 HA ARG 20 -12.658 -16.443 14.356 2 HB2 ARG 20 HB2 ARG 20 -14.260 -15.790 12.686 3 HG2 ARG 20 HG2 ARG 20 -13.155 -13.374 11.548 4 HD2 ARG 20 HD2 ARG 20 -15.035 -14.605 10.541 5 HE ARG 20 HE ARG 20 -14.496 -16.899 10.778 6 HH11 ARG 20 HH11 ARG 20 -12.675 -15.395 8.196 7 HH12 ARG 20 HH12 ARG 20 -12.173 -16.903 7.511 8 HH21 ARG 20 HH21 ARG 20 -13.838 -18.865 9.872 9 HH22 ARG 20 HH22 ARG 20 -12.838 -18.871 8.452 10 H ARG 20 HN ARG 20 -11.101 -14.166 13.524 11 HB3 ARG 20 HB1 ARG 20 -13.699 -14.353 13.513 12 HG3 ARG 20 HG1 ARG 20 -12.055 -14.694 11.158 13 HD3 ARG 20 HD1 ARG 20 -13.721 -14.416 9.375 No H/Q in entry = 13 In of MODEL 7 1 HA GLU 21 HA GLU 21 -10.850 -18.159 10.292 2 HB2 GLU 21 HB2 GLU 21 -9.477 -16.134 9.549 3 HG2 GLU 21 HG2 GLU 21 -7.865 -17.360 8.120 4 H GLU 21 HN GLU 21 -10.130 -15.957 12.020 5 HB3 GLU 21 HB1 GLU 21 -8.125 -16.792 10.462 6 HG3 GLU 21 HG1 GLU 21 -8.178 -18.831 9.044 No H/Q in entry = 6 In of MODEL 7 1 HA TYR 22 HA TYR 22 -7.399 -20.538 12.316 2 HB2 TYR 22 HB2 TYR 22 -5.752 -18.297 13.580 3 HD1 TYR 22 HD1 TYR 22 -4.733 -16.805 12.069 4 HD2 TYR 22 HD2 TYR 22 -5.656 -20.749 10.714 5 HE1 TYR 22 HE1 TYR 22 -3.826 -16.269 9.852 6 HE2 TYR 22 HE2 TYR 22 -4.752 -20.202 8.503 7 HH TYR 22 HH TYR 22 -4.356 -18.157 7.128 8 H TYR 22 HN TYR 22 -7.857 -17.672 12.228 9 HB3 TYR 22 HB1 TYR 22 -5.243 -19.970 13.355 No H/Q in entry = 9 In of MODEL 7 1 HA SER 23 HA SER 23 -8.959 -19.370 16.729 2 HB2 SER 23 HB2 SER 23 -6.027 -20.118 17.190 3 HG SER 23 HG SER 23 -8.343 -21.553 16.538 4 H SER 23 HN SER 23 -7.043 -18.193 14.988 5 HB3 SER 23 HB1 SER 23 -7.285 -20.290 18.417 No H/Q in entry = 5 In of MODEL 7 1 HA THR 24 HA THR 24 -7.150 -16.091 19.266 2 HB THR 24 HB THR 24 -8.865 -15.532 21.102 3 HG1 THR 24 HG1 THR 24 -10.008 -17.404 21.282 4 HG21 THR 24 HG21 THR 24 -8.828 -14.263 18.986 5 HG23 THR 24 HG22 THR 24 -10.477 -14.452 19.588 6 HG22 THR 24 HG23 THR 24 -9.907 -15.450 18.247 7 H THR 24 HN THR 24 -9.005 -18.343 18.753 No H/Q in entry = 7 In of MODEL 7 1 HA LEU 25 HA LEU 25 -5.988 -18.702 22.722 2 HB2 LEU 25 HB2 LEU 25 -4.268 -16.758 22.494 3 HG LEU 25 HG LEU 25 -4.490 -18.163 25.190 4 HD13 LEU 25 HD11 LEU 25 -2.864 -19.741 24.260 5 HD12 LEU 25 HD12 LEU 25 -2.912 -18.905 22.706 6 HD11 LEU 25 HD13 LEU 25 -4.351 -19.733 23.313 7 HD21 LEU 25 HD21 LEU 25 -3.046 -16.188 25.356 8 HD23 LEU 25 HD22 LEU 25 -2.109 -16.733 23.960 9 HD22 LEU 25 HD23 LEU 25 -2.104 -17.673 25.455 10 H LEU 25 HN LEU 25 -6.615 -15.991 21.721 11 HB3 LEU 25 HB1 LEU 25 -5.051 -16.070 23.909 No H/Q in entry = 11 In of MODEL 7 1 HA ARG 26 HA ARG 26 -9.077 -17.864 25.812 2 HB2 ARG 26 HB2 ARG 26 -10.263 -19.894 26.332 3 HG2 ARG 26 HG2 ARG 26 -7.949 -21.514 25.212 4 HD2 ARG 26 HD2 ARG 26 -10.158 -22.510 24.705 5 HE ARG 26 HE ARG 26 -10.797 -21.844 27.413 6 HH11 ARG 26 HH11 ARG 26 -11.439 -24.293 24.978 7 HH12 ARG 26 HH12 ARG 26 -12.987 -24.699 25.640 8 HH21 ARG 26 HH21 ARG 26 -12.819 -22.415 28.272 9 HH22 ARG 26 HH22 ARG 26 -13.761 -23.650 27.498 10 H ARG 26 HN ARG 26 -6.905 -19.503 24.621 11 HB3 ARG 26 HB1 ARG 26 -9.783 -19.967 24.641 12 HG3 ARG 26 HG1 ARG 26 -8.384 -21.418 26.919 13 HD3 ARG 26 HD1 ARG 26 -9.229 -23.484 25.852 No H/Q in entry = 13 In of MODEL 7 1 HA SER 27 HA SER 27 -6.167 -18.881 29.316 2 HB2 SER 27 HB2 SER 27 -6.513 -21.880 28.775 3 HG SER 27 HG SER 27 -8.233 -19.894 29.784 4 H SER 27 HN SER 27 -6.284 -19.897 26.590 5 HB3 SER 27 HB1 SER 27 -6.165 -21.157 30.349 No H/Q in entry = 5 In of MODEL 7 1 HA VAL 28 HA VAL 28 -2.048 -20.737 28.754 2 HB VAL 28 HB VAL 28 -1.654 -18.059 30.208 3 H VAL 28 HN VAL 28 -4.157 -19.461 30.371 No H/Q in entry = 3 In of MODEL 7 1 HA GLN 29 HA GLN 29 -0.703 -21.769 32.927 2 HB2 GLN 29 HB2 GLN 29 -0.620 -24.283 32.978 3 HG2 GLN 29 HG2 GLN 29 -1.329 -24.078 30.042 4 HE21 GLN 29 HE21 GLN 29 -1.854 -26.009 29.001 5 HE22 GLN 29 HE22 GLN 29 -2.336 -27.428 29.857 6 H GLN 29 HN GLN 29 -0.630 -21.904 29.982 7 HB3 GLN 29 HB1 GLN 29 -2.135 -23.652 32.330 8 HG3 GLN 29 HG1 GLN 29 0.174 -24.724 30.682 No H/Q in entry = 8 In of MODEL 7 1 HA TYR 30 HA TYR 30 3.634 -22.056 31.950 2 HB2 TYR 30 HB2 TYR 30 3.697 -19.979 33.264 3 HD1 TYR 30 HD1 TYR 30 5.498 -21.450 35.971 4 HD2 TYR 30 HD2 TYR 30 5.792 -20.705 31.771 5 HE1 TYR 30 HE1 TYR 30 7.936 -21.747 36.082 6 HE2 TYR 30 HE2 TYR 30 8.225 -20.992 31.892 7 HH TYR 30 HH TYR 30 10.024 -20.810 33.616 8 H TYR 30 HN TYR 30 1.331 -21.540 33.682 9 HB3 TYR 30 HB1 TYR 30 3.509 -20.882 34.767 No H/Q in entry = 9 In of MODEL 7 1 HA ARG 31 HA ARG 31 4.129 -25.923 34.147 2 HB2 ARG 31 HB2 ARG 31 4.736 -26.463 31.210 3 HG2 ARG 31 HG2 ARG 31 2.398 -27.272 32.976 4 HD2 ARG 31 HD2 ARG 31 2.879 -27.989 30.066 5 HE ARG 31 HE ARG 31 0.637 -28.564 31.907 6 HH11 ARG 31 HH11 ARG 31 1.917 -28.644 28.635 7 HH12 ARG 31 HH12 ARG 31 0.418 -29.166 27.944 8 HH21 ARG 31 HH21 ARG 31 -1.296 -29.258 30.986 9 HH22 ARG 31 HH22 ARG 31 -1.404 -29.502 29.270 10 H ARG 31 HN ARG 31 4.205 -24.137 31.814 11 HB3 ARG 31 HB1 ARG 31 4.823 -27.691 32.476 12 HG3 ARG 31 HG1 ARG 31 2.344 -26.166 31.598 13 HD3 ARG 31 HD1 ARG 31 3.091 -29.109 31.418 No H/Q in entry = 13 In of MODEL 7 1 HA SER 32 HA SER 32 8.423 -24.670 34.692 2 HB2 SER 32 HB2 SER 32 7.393 -24.018 36.880 3 HG SER 32 HG SER 32 9.628 -25.660 37.426 4 H SER 32 HN SER 32 5.765 -25.355 35.461 5 HB3 SER 32 HB1 SER 32 7.417 -25.707 37.386 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 33 HA GLU 33 8.726 -29.593 35.383 2 HB2 GLU 33 HB2 GLU 33 6.329 -30.113 35.041 3 HG2 GLU 33 HG2 GLU 33 6.444 -32.079 33.534 4 H GLU 33 HN GLU 33 6.783 -27.684 34.934 5 HB3 GLU 33 HB1 GLU 33 6.460 -29.673 33.344 6 HG3 GLU 33 HG1 GLU 33 8.035 -31.560 32.986 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 34 HA GLU 34 10.415 -29.038 31.062 2 HB2 GLU 34 HB2 GLU 34 7.868 -28.000 29.765 3 HG2 GLU 34 HG2 GLU 34 7.785 -30.376 30.475 4 H GLU 34 HN GLU 34 7.825 -28.200 32.208 5 HB3 GLU 34 HB1 GLU 34 9.351 -28.331 28.870 6 HG3 GLU 34 HG1 GLU 34 7.670 -30.160 28.725 No H/Q in entry = 6 In of MODEL 7 1 HA3 GLY 35 HA2 GLY 35 9.811 -24.224 32.916 2 H GLY 35 HN GLY 35 9.183 -26.411 32.653 3 HA2 GLY 35 HA1 GLY 35 11.279 -24.615 32.023 No H/Q in entry = 3 In of MODEL 7 1 HA VAL 36 HA VAL 36 8.402 -22.853 28.815 2 HB VAL 36 HB VAL 36 7.003 -24.237 27.285 3 H VAL 36 HN VAL 36 7.892 -24.796 30.991 No H/Q in entry = 3 In of MODEL 7 1 HA ILE 37 HA ILE 37 4.312 -21.413 29.874 2 HB ILE 37 HB ILE 37 5.206 -19.614 27.556 3 HD12 ILE 37 HD11 ILE 37 5.108 -17.043 29.472 4 HD11 ILE 37 HD12 ILE 37 6.388 -17.381 28.303 5 HD13 ILE 37 HD13 ILE 37 6.780 -17.179 30.010 6 H ILE 37 HN ILE 37 6.747 -21.536 28.264 No H/Q in entry = 6 In of MODEL 7 1 HA VAL 38 HA VAL 38 2.436 -23.701 26.496 2 HB VAL 38 HB VAL 38 1.167 -24.724 29.079 3 H VAL 38 HN VAL 38 2.807 -22.859 29.272 No H/Q in entry = 3 In of MODEL 7 1 HA PHE 39 HA PHE 39 -0.943 -20.774 26.340 2 HB2 PHE 39 HB2 PHE 39 0.141 -21.087 23.502 3 HD1 PHE 39 HD1 PHE 39 -0.289 -17.944 25.368 4 HD2 PHE 39 HD2 PHE 39 2.524 -20.898 24.086 5 HE1 PHE 39 HE1 PHE 39 1.554 -16.414 25.893 6 HE2 PHE 39 HE2 PHE 39 4.368 -19.357 24.612 7 HZ PHE 39 HZ PHE 39 3.875 -17.112 25.513 8 H PHE 39 HN PHE 39 1.187 -22.473 25.279 9 HB3 PHE 39 HB1 PHE 39 -1.011 -19.867 24.024 No H/Q in entry = 9 In of MODEL 7 1 HA ILE 40 HA ILE 40 -3.754 -24.047 24.983 2 HB ILE 40 HB ILE 40 -5.208 -22.632 27.267 3 HD12 ILE 40 HD11 ILE 40 -5.502 -25.359 28.895 4 HD11 ILE 40 HD12 ILE 40 -4.988 -23.820 29.594 5 HD13 ILE 40 HD13 ILE 40 -3.948 -25.238 29.720 6 H ILE 40 HN ILE 40 -2.828 -21.910 26.716 No H/Q in entry = 6 In of MODEL 7 1 HA LEU 41 HA LEU 41 -5.525 -21.006 22.173 2 HB2 LEU 41 HB2 LEU 41 -5.428 -23.776 20.932 3 HG LEU 41 HG LEU 41 -3.283 -22.478 20.869 4 HD11 LEU 41 HD11 LEU 41 -4.601 -22.868 18.157 5 HD13 LEU 41 HD12 LEU 41 -3.697 -24.074 19.074 6 HD12 LEU 41 HD13 LEU 41 -2.868 -22.661 18.435 7 HD22 LEU 41 HD21 LEU 41 -4.221 -20.229 20.874 8 HD21 LEU 41 HD22 LEU 41 -4.902 -20.482 19.264 9 HD23 LEU 41 HD23 LEU 41 -3.151 -20.450 19.493 10 H LEU 41 HN LEU 41 -4.365 -23.433 23.007 11 HB3 LEU 41 HB1 LEU 41 -6.238 -22.448 20.111 No H/Q in entry = 11 In of MODEL 7 1 HA ALA 42 HA ALA 42 -9.816 -21.291 22.892 2 HB3 ALA 42 HB1 ALA 42 -11.237 -20.342 21.110 3 HB1 ALA 42 HB2 ALA 42 -9.893 -20.466 19.967 4 HB2 ALA 42 HB3 ALA 42 -9.778 -19.377 21.352 5 H ALA 42 HN ALA 42 -7.664 -20.782 21.142 No H/Q in entry = 5 In of MODEL 7 1 HA ASN 43 HA ASN 43 -10.732 -24.954 19.938 2 HB2 ASN 43 HB2 ASN 43 -9.338 -25.973 18.134 3 HD21 ASN 43 HD21 ASN 43 -7.864 -24.094 16.468 4 HD22 ASN 43 HD22 ASN 43 -6.240 -24.104 17.039 5 H ASN 43 HN ASN 43 -8.637 -22.957 20.020 6 HB3 ASN 43 HB1 ASN 43 -9.655 -24.268 17.849 No H/Q in entry = 6 In of MODEL 7 1 HA ASP 44 HA ASP 44 -7.680 -25.637 23.932 2 HB2 ASP 44 HB2 ASP 44 -9.224 -28.000 22.795 3 H ASP 44 HN ASP 44 -8.435 -24.502 22.167 4 HB3 ASP 44 HB1 ASP 44 -8.406 -28.021 24.358 No H/Q in entry = 4 In of MODEL 7 1 HA ARG 45 HA ARG 45 -4.550 -28.026 21.398 2 HB2 ARG 45 HB2 ARG 45 -5.151 -27.202 19.114 3 HG2 ARG 45 HG2 ARG 45 -2.244 -27.081 19.947 4 HD2 ARG 45 HD2 ARG 45 -3.258 -26.770 17.106 5 HE ARG 45 HE ARG 45 -1.278 -27.772 16.632 6 HH11 ARG 45 HH11 ARG 45 -0.715 -25.793 19.496 7 HH12 ARG 45 HH12 ARG 45 0.988 -26.101 19.503 8 HH21 ARG 45 HH21 ARG 45 0.963 -28.118 16.668 9 HH22 ARG 45 HH22 ARG 45 1.929 -27.375 17.905 10 H ARG 45 HN ARG 45 -6.411 -25.823 21.067 11 HB3 ARG 45 HB1 ARG 45 -4.404 -25.651 19.489 12 HG3 ARG 45 HG1 ARG 45 -3.081 -28.338 19.033 13 HD3 ARG 45 HD1 ARG 45 -2.384 -25.546 18.041 No H/Q in entry = 13 In of MODEL 7 1 HA GLU 46 HA GLU 46 -1.975 -25.485 23.937 2 HB2 GLU 46 HB2 GLU 46 -0.851 -28.309 24.151 3 HG2 GLU 46 HG2 GLU 46 -2.893 -26.902 25.898 4 H GLU 46 HN GLU 46 -2.693 -27.932 22.530 5 HB3 GLU 46 HB1 GLU 46 -0.512 -26.973 25.250 6 HG3 GLU 46 HG1 GLU 46 -3.229 -28.255 24.814 No H/Q in entry = 6 In of MODEL 7 1 HA LEU 47 HA LEU 47 1.598 -24.910 21.246 2 HB2 LEU 47 HB2 LEU 47 0.513 -22.244 22.229 3 HG LEU 47 HG LEU 47 -0.478 -23.207 20.075 4 HD12 LEU 47 HD11 LEU 47 1.041 -20.582 19.798 5 HD11 LEU 47 HD12 LEU 47 -0.555 -20.786 20.524 6 HD13 LEU 47 HD13 LEU 47 -0.326 -21.100 18.805 7 HD21 LEU 47 HD21 LEU 47 1.569 -24.301 19.231 8 HD23 LEU 47 HD22 LEU 47 2.329 -22.723 18.997 9 HD22 LEU 47 HD23 LEU 47 0.911 -23.172 18.043 10 H LEU 47 HN LEU 47 -0.739 -24.111 22.759 11 HB3 LEU 47 HB1 LEU 47 2.098 -22.351 21.481 No H/Q in entry = 11 In of MODEL 7 1 HA LYS 48 HA LYS 48 4.223 -24.384 24.881 2 HB2 LYS 48 HB2 LYS 48 3.978 -26.759 24.393 3 HG2 LYS 48 HG2 LYS 48 6.943 -26.107 24.525 4 HD2 LYS 48 HD2 LYS 48 5.579 -28.687 25.379 5 HE2 LYS 48 HE2 LYS 48 7.651 -28.136 26.637 6 HZ1 LYS 48 HZ1 LYS 48 8.931 -28.103 23.953 7 HZ3 LYS 48 HZ2 LYS 48 9.751 -28.080 25.427 8 HZ2 LYS 48 HZ3 LYS 48 8.769 -26.778 24.993 9 H LYS 48 HN LYS 48 3.790 -24.438 21.968 10 HB3 LYS 48 HB1 LYS 48 5.041 -26.636 22.992 11 HG3 LYS 48 HG1 LYS 48 5.863 -26.325 25.905 12 HD3 LYS 48 HD1 LYS 48 6.459 -28.502 23.858 13 HE3 LYS 48 HE1 LYS 48 7.869 -29.547 25.598 No H/Q in entry = 13 In of MODEL 7 1 HA PHE 49 HA PHE 49 8.020 -22.520 23.505 2 HB2 PHE 49 HB2 PHE 49 6.056 -20.190 23.811 3 HD1 PHE 49 HD1 PHE 49 8.338 -20.749 20.975 4 HD2 PHE 49 HD2 PHE 49 4.320 -21.210 22.380 5 HE1 PHE 49 HE1 PHE 49 7.576 -21.199 18.678 6 HE2 PHE 49 HE2 PHE 49 3.575 -21.657 20.081 7 HZ PHE 49 HZ PHE 49 5.200 -21.654 18.233 8 H PHE 49 HN PHE 49 5.456 -22.618 24.977 9 HB3 PHE 49 HB1 PHE 49 7.712 -20.023 23.236 No H/Q in entry = 9 In of MODEL 7 1 HA ARG 50 HA ARG 50 9.295 -21.818 27.701 2 HB2 ARG 50 HB2 ARG 50 11.839 -21.020 26.218 3 HG2 ARG 50 HG2 ARG 50 11.176 -23.841 27.121 4 HD2 ARG 50 HD2 ARG 50 13.618 -22.562 25.846 5 HE ARG 50 HE ARG 50 13.338 -25.491 26.026 6 HH11 ARG 50 HH11 ARG 50 13.769 -22.662 23.983 7 HH12 ARG 50 HH12 ARG 50 14.344 -23.579 22.630 8 HH21 ARG 50 HH21 ARG 50 14.095 -26.675 24.247 9 HH22 ARG 50 HH22 ARG 50 14.540 -25.856 22.785 10 H ARG 50 HN ARG 50 9.696 -22.010 24.873 11 HB3 ARG 50 HB1 ARG 50 11.704 -21.573 27.888 12 HG3 ARG 50 HG1 ARG 50 11.168 -23.296 25.439 13 HD3 ARG 50 HD1 ARG 50 13.533 -23.527 27.322 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 51 HA PRO 51 8.978 -17.284 28.312 2 HB2 PRO 51 HB2 PRO 51 10.826 -17.047 30.449 3 HG2 PRO 51 HG2 PRO 51 11.366 -19.305 30.644 4 HD2 PRO 51 HD2 PRO 51 10.130 -20.979 29.579 5 HB3 PRO 51 HB1 PRO 51 9.091 -17.342 30.606 6 HG3 PRO 51 HG1 PRO 51 9.888 -19.283 31.630 7 HD3 PRO 51 HD1 PRO 51 8.572 -20.179 29.895 No H/Q in entry = 7 In of MODEL 7 1 HA ASP 52 HA ASP 52 13.698 -16.539 27.528 2 HB2 ASP 52 HB2 ASP 52 14.547 -18.626 28.693 3 H ASP 52 HN ASP 52 12.164 -18.844 28.234 4 HB3 ASP 52 HB1 ASP 52 14.415 -19.484 27.164 No H/Q in entry = 4 In of MODEL 7 1 HA ASP 53 HA ASP 53 12.897 -18.259 23.092 2 HB2 ASP 53 HB2 ASP 53 10.252 -19.504 23.971 3 H ASP 53 HN ASP 53 11.763 -18.758 25.704 4 HB3 ASP 53 HB1 ASP 53 10.725 -19.343 22.282 No H/Q in entry = 4 In of MODEL 7 1 HA LEU 54 HA LEU 54 9.282 -15.305 22.917 2 HB2 LEU 54 HB2 LEU 54 8.531 -15.528 25.855 3 HG LEU 54 HG LEU 54 8.378 -17.724 24.670 4 HD13 LEU 54 HD11 LEU 54 6.067 -18.234 25.247 5 HD12 LEU 54 HD12 LEU 54 5.677 -16.513 25.320 6 HD11 LEU 54 HD13 LEU 54 6.812 -17.216 26.479 7 HD22 LEU 54 HD21 LEU 54 8.072 -16.936 22.374 8 HD21 LEU 54 HD22 LEU 54 6.481 -16.285 22.784 9 HD23 LEU 54 HD23 LEU 54 6.759 -18.025 22.830 10 H LEU 54 HN LEU 54 10.743 -16.551 25.170 11 HB3 LEU 54 HB1 LEU 54 7.536 -14.798 24.595 No H/Q in entry = 11 In of MODEL 7 1 HA GLN 55 HA GLN 55 11.104 -11.425 23.675 2 HB2 GLN 55 HB2 GLN 55 10.076 -11.209 21.452 3 HG2 GLN 55 HG2 GLN 55 10.834 -9.043 22.744 4 HE21 GLN 55 HE21 GLN 55 10.203 -7.014 23.435 5 HE22 GLN 55 HE22 GLN 55 8.575 -6.612 23.849 6 H GLN 55 HN GLN 55 9.147 -13.193 22.676 7 HB3 GLN 55 HB1 GLN 55 8.510 -10.877 22.170 8 HG3 GLN 55 HG1 GLN 55 9.991 -8.924 21.202 No H/Q in entry = 8 In of MODEL 7 1 HA ALA 56 HA ALA 56 7.403 -9.870 26.422 2 HB2 ALA 56 HB1 ALA 56 5.520 -11.348 25.791 3 HB3 ALA 56 HB2 ALA 56 5.623 -11.180 27.546 4 HB1 ALA 56 HB3 ALA 56 6.204 -12.651 26.759 5 H ALA 56 HN ALA 56 7.770 -12.071 24.707 No H/Q in entry = 5 In of MODEL 7 1 HA THR 57 HA THR 57 9.169 -12.413 29.846 2 HB THR 57 HB THR 57 8.869 -14.953 30.029 3 HG1 THR 57 HG1 THR 57 9.253 -15.103 27.596 4 HG22 THR 57 HG21 THR 57 6.430 -14.832 29.740 5 HG21 THR 57 HG22 THR 57 6.612 -13.342 28.809 6 HG23 THR 57 HG23 THR 57 7.051 -13.377 30.517 7 H THR 57 HN THR 57 8.997 -12.956 26.936 No H/Q in entry = 7 In of MODEL 7 1 HA TYR 58 HA TYR 58 13.247 -14.078 28.128 2 HB2 TYR 58 HB2 TYR 58 12.935 -12.625 26.011 3 HD1 TYR 58 HD1 TYR 58 14.440 -14.928 26.361 4 HD2 TYR 58 HD2 TYR 58 15.919 -10.921 26.426 5 HE1 TYR 58 HE1 TYR 58 16.644 -15.736 25.664 6 HE2 TYR 58 HE2 TYR 58 18.128 -11.736 25.731 7 HH TYR 58 HH TYR 58 18.618 -14.850 24.500 8 H TYR 58 HN TYR 58 11.207 -12.133 27.595 9 HB3 TYR 58 HB1 TYR 58 13.632 -11.298 26.942 No H/Q in entry = 9 In of MODEL 7 1 HA3 GLY 59 HA2 GLY 59 14.967 -13.526 32.149 2 H GLY 59 HN GLY 59 13.534 -14.143 30.350 3 HA2 GLY 59 HA1 GLY 59 14.883 -11.847 31.648 No H/Q in entry = 3 In of MODEL 7 1 HA ALA 60 HA ALA 60 10.898 -11.772 33.886 2 HB3 ALA 60 HB1 ALA 60 8.642 -12.540 33.254 3 HB1 ALA 60 HB2 ALA 60 9.336 -13.638 32.055 4 HB2 ALA 60 HB3 ALA 60 9.505 -11.892 31.857 5 H ALA 60 HN ALA 60 11.803 -13.300 31.591 No H/Q in entry = 5 In of MODEL 7 1 HA THR 61 HA THR 61 11.039 -15.133 36.694 2 HB THR 61 HB THR 61 10.005 -14.345 38.915 3 HG1 THR 61 HG1 THR 61 9.423 -12.061 38.874 4 HG22 THR 61 HG21 THR 61 11.679 -12.571 39.308 5 HG21 THR 61 HG22 THR 61 11.954 -12.425 37.571 6 HG23 THR 61 HG23 THR 61 12.393 -13.914 38.411 7 H THR 61 HN THR 61 9.951 -12.599 35.761 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 62 HA PRO 62 7.435 -17.635 35.939 2 HB2 PRO 62 HB2 PRO 62 7.460 -19.332 38.162 3 HG2 PRO 62 HG2 PRO 62 9.124 -18.234 39.387 4 HD2 PRO 62 HD2 PRO 62 10.563 -16.674 38.420 5 HB3 PRO 62 HB1 PRO 62 8.489 -19.519 36.738 6 HG3 PRO 62 HG1 PRO 62 10.125 -19.325 38.405 7 HD3 PRO 62 HD1 PRO 62 10.749 -17.616 36.921 No H/Q in entry = 7 In of MODEL 7 1 HA GLU 63 HA GLU 63 4.915 -16.225 39.911 2 HB2 GLU 63 HB2 GLU 63 5.290 -14.144 41.193 3 HG2 GLU 63 HG2 GLU 63 7.815 -13.844 39.540 4 H GLU 63 HN GLU 63 7.562 -15.868 38.971 5 HB3 GLU 63 HB1 GLU 63 6.695 -15.203 41.284 6 HG3 GLU 63 HG1 GLU 63 6.419 -12.770 39.492 No H/Q in entry = 6 In of MODEL 7 1 HA GLN 64 HA GLN 64 3.979 -12.416 37.084 2 HB2 GLN 64 HB2 GLN 64 6.493 -12.831 35.421 3 HG2 GLN 64 HG2 GLN 64 5.833 -10.600 37.367 4 HE21 GLN 64 HE21 GLN 64 8.104 -11.924 35.001 5 HE22 GLN 64 HE22 GLN 64 9.023 -10.477 34.816 6 H GLN 64 HN GLN 64 6.295 -14.062 37.515 7 HB3 GLN 64 HB1 GLN 64 5.307 -11.554 35.168 8 HG3 GLN 64 HG1 GLN 64 7.000 -11.887 37.661 No H/Q in entry = 8 In of MODEL 7 1 HA LEU 65 HA LEU 65 3.393 -15.575 33.544 2 HB2 LEU 65 HB2 LEU 65 5.278 -17.719 34.666 3 HG LEU 65 HG LEU 65 6.718 -15.767 34.391 4 HD12 LEU 65 HD11 LEU 65 7.024 -17.598 31.998 5 HD11 LEU 65 HD12 LEU 65 7.632 -17.902 33.629 6 HD13 LEU 65 HD13 LEU 65 8.274 -16.557 32.689 7 HD22 LEU 65 HD21 LEU 65 6.868 -14.510 32.291 8 HD21 LEU 65 HD22 LEU 65 5.278 -14.363 33.031 9 HD23 LEU 65 HD23 LEU 65 5.505 -15.425 31.637 10 H LEU 65 HN LEU 65 5.045 -15.478 36.012 11 HB3 LEU 65 HB1 LEU 65 4.671 -17.560 33.020 No H/Q in entry = 11 In of MODEL 7 1 HA ARG 66 HA ARG 66 0.840 -18.059 36.509 2 HB2 ARG 66 HB2 ARG 66 1.322 -16.065 38.779 3 HG2 ARG 66 HG2 ARG 66 2.332 -18.919 38.619 4 HD2 ARG 66 HD2 ARG 66 3.484 -18.388 40.723 5 HE ARG 66 HE ARG 66 0.960 -19.081 40.744 6 HH11 ARG 66 HH11 ARG 66 2.371 -16.426 42.568 7 HH12 ARG 66 HH12 ARG 66 1.257 -16.600 43.884 8 HH21 ARG 66 HH21 ARG 66 -0.475 -19.284 42.486 9 HH22 ARG 66 HH22 ARG 66 -0.329 -18.215 43.846 10 H ARG 66 HN ARG 66 2.777 -15.856 36.702 11 HB3 ARG 66 HB1 ARG 66 0.327 -17.521 38.861 12 HG3 ARG 66 HG1 ARG 66 3.333 -17.478 38.444 13 HD3 ARG 66 HD1 ARG 66 2.771 -16.771 40.725 No H/Q in entry = 13 In of MODEL 7 1 HA GLU 67 HA GLU 67 -1.879 -14.207 36.691 2 HB2 GLU 67 HB2 GLU 67 -1.365 -11.781 37.323 3 HG2 GLU 67 HG2 GLU 67 1.319 -12.952 38.130 4 H GLU 67 HN GLU 67 0.956 -14.561 37.228 5 HB3 GLU 67 HB1 GLU 67 -1.129 -12.992 38.577 6 HG3 GLU 67 HG1 GLU 67 1.056 -11.684 36.930 No H/Q in entry = 6 In of MODEL 7 1 HA ILE 68 HA ILE 68 -0.943 -12.871 32.545 2 HB ILE 68 HB ILE 68 -1.629 -15.847 32.652 3 HD11 ILE 68 HD11 ILE 68 0.761 -16.791 30.971 4 HD13 ILE 68 HD12 ILE 68 0.442 -17.381 32.608 5 HD12 ILE 68 HD13 ILE 68 2.009 -16.683 32.209 6 H ILE 68 HN ILE 68 -2.350 -14.371 34.667 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 69 HA GLU 69 -5.204 -12.639 31.073 2 HB2 GLU 69 HB2 GLU 69 -4.754 -10.345 32.005 3 HG2 GLU 69 HG2 GLU 69 -6.038 -10.222 29.263 4 H GLU 69 HN GLU 69 -2.337 -11.862 31.183 5 HB3 GLU 69 HB1 GLU 69 -3.918 -9.914 30.518 6 HG3 GLU 69 HG1 GLU 69 -6.862 -10.607 30.774 No H/Q in entry = 6 In of MODEL 7 1 HA ILE 70 HA ILE 70 -4.482 -13.165 26.662 2 HB ILE 70 HB ILE 70 -7.436 -12.358 26.728 3 HD13 ILE 70 HD11 ILE 70 -6.140 -16.402 27.403 4 HD12 ILE 70 HD12 ILE 70 -4.927 -15.124 27.401 5 HD11 ILE 70 HD13 ILE 70 -5.657 -15.652 25.881 6 H ILE 70 HN ILE 70 -6.182 -12.241 28.835 No H/Q in entry = 6 In of MODEL 7 1 HA SER 71 HA SER 71 -3.161 -9.488 24.712 2 HB2 SER 71 HB2 SER 71 -4.450 -10.931 22.386 3 HG SER 71 HG SER 71 -1.805 -10.278 23.139 4 H SER 71 HN SER 71 -4.348 -11.955 24.551 5 HB3 SER 71 HB1 SER 71 -3.769 -9.326 22.141 No H/Q in entry = 5 In of MODEL 7 1 HA PRO 72 HA PRO 72 -6.442 -6.317 24.639 2 HB2 PRO 72 HB2 PRO 72 -5.089 -4.251 23.455 3 HG2 PRO 72 HG2 PRO 72 -3.237 -5.475 22.647 4 HD2 PRO 72 HD2 PRO 72 -2.641 -7.540 23.556 5 HB3 PRO 72 HB1 PRO 72 -4.799 -4.743 25.130 6 HG3 PRO 72 HG1 PRO 72 -2.628 -4.918 24.223 7 HD3 PRO 72 HD1 PRO 72 -2.935 -7.007 25.227 No H/Q in entry = 7 In of MODEL 7 1 HA SER 73 HA SER 73 -7.124 -6.769 20.051 2 HB2 SER 73 HB2 SER 73 -4.616 -8.402 19.434 3 HG SER 73 HG SER 73 -3.663 -6.561 19.044 4 H SER 73 HN SER 73 -5.000 -7.740 21.865 5 HB3 SER 73 HB1 SER 73 -5.763 -7.779 18.244 No H/Q in entry = 5 In of MODEL 7 1 HA3 GLY 74 HA2 GLY 74 -7.863 -11.087 22.735 2 H GLY 74 HN GLY 74 -6.559 -9.268 22.207 3 HA2 GLY 74 HA1 GLY 74 -8.797 -10.837 21.281 No H/Q in entry = 3 In of MODEL 7 1 HA LEU 75 HA LEU 75 -6.116 -13.601 18.923 2 HB2 LEU 75 HB2 LEU 75 -3.983 -11.456 18.732 3 HG LEU 75 HG LEU 75 -6.013 -11.252 17.221 4 HD11 LEU 75 HD11 LEU 75 -3.880 -10.223 16.580 5 HD13 LEU 75 HD12 LEU 75 -4.743 -10.818 15.166 6 HD12 LEU 75 HD13 LEU 75 -3.367 -11.725 15.802 7 HD22 LEU 75 HD21 LEU 75 -6.240 -12.824 15.335 8 HD21 LEU 75 HD22 LEU 75 -6.462 -13.647 16.876 9 HD23 LEU 75 HD23 LEU 75 -4.940 -13.824 15.995 10 H LEU 75 HN LEU 75 -5.966 -10.953 19.865 11 HB3 LEU 75 HB1 LEU 75 -3.695 -13.050 18.055 No H/Q in entry = 11 In of MODEL 7 1 HA3 GLY 76 HA2 GLY 76 -2.587 -15.016 21.517 2 H GLY 76 HN GLY 76 -3.309 -12.261 20.727 3 HA2 GLY 76 HA1 GLY 76 -1.509 -13.628 21.444 No H/Q in entry = 3 In of MODEL 7 1 HA VAL 77 HA VAL 77 -2.683 -13.186 25.669 2 HB VAL 77 HB VAL 77 -0.761 -15.058 25.349 3 H VAL 77 HN VAL 77 -0.878 -12.993 23.350 No H/Q in entry = 3 In of MODEL 7 1 HA TYR 78 HA TYR 78 0.040 -9.735 26.885 2 HB2 TYR 78 HB2 TYR 78 -2.125 -8.697 26.216 3 HD1 TYR 78 HD1 TYR 78 -2.643 -7.383 29.505 4 HD2 TYR 78 HD2 TYR 78 0.054 -7.193 26.189 5 HE1 TYR 78 HE1 TYR 78 -1.782 -5.227 30.323 6 HE2 TYR 78 HE2 TYR 78 0.907 -5.042 27.008 7 HH TYR 78 HH TYR 78 0.209 -3.832 30.121 8 H TYR 78 HN TYR 78 -1.979 -11.770 27.435 9 HB3 TYR 78 HB1 TYR 78 -2.801 -9.056 27.801 No H/Q in entry = 9 In of MODEL 7 1 HA PHE 79 HA PHE 79 0.518 -11.095 31.106 2 HB2 PHE 79 HB2 PHE 79 3.339 -10.642 30.067 3 HD1 PHE 79 HD1 PHE 79 0.583 -13.022 30.052 4 HD2 PHE 79 HD2 PHE 79 4.663 -12.581 29.580 5 HE1 PHE 79 HE1 PHE 79 0.719 -15.203 28.983 6 HE2 PHE 79 HE2 PHE 79 4.762 -14.777 28.507 7 HZ PHE 79 HZ PHE 79 2.802 -16.107 28.211 8 H PHE 79 HN PHE 79 1.401 -10.377 28.438 9 HB3 PHE 79 HB1 PHE 79 2.898 -11.402 31.592 No H/Q in entry = 9 In of MODEL 7 1 HA GLU 80 HA GLU 80 0.102 -6.742 31.623 2 HB2 GLU 80 HB2 GLU 80 -1.996 -7.732 32.534 3 HG2 GLU 80 HG2 GLU 80 -0.872 -5.588 34.363 4 H GLU 80 HN GLU 80 -0.221 -9.499 32.236 5 HB3 GLU 80 HB1 GLU 80 -1.185 -8.049 34.063 6 HG3 GLU 80 HG1 GLU 80 -1.769 -5.318 32.870 No H/Q in entry = 6 In of MODEL 7 1 HA THR 81 HA THR 81 2.461 -7.025 35.926 2 HB THR 81 HB THR 81 3.834 -9.668 35.306 3 HG1 THR 81 HG1 THR 81 1.416 -9.556 36.763 4 HG21 THR 81 HG21 THR 81 3.025 -8.338 37.924 5 HG23 THR 81 HG22 THR 81 4.665 -8.417 37.272 6 HG22 THR 81 HG23 THR 81 3.839 -9.897 37.772 7 H THR 81 HN THR 81 1.485 -8.851 34.037 No H/Q in entry = 7 In of MODEL 7 1 HA LEU 82 HA LEU 82 6.284 -6.568 33.233 2 HB2 LEU 82 HB2 LEU 82 6.883 -8.028 31.026 3 HG LEU 82 HG LEU 82 4.666 -9.360 31.140 4 HD13 LEU 82 HD11 LEU 82 5.740 -11.457 30.491 5 HD12 LEU 82 HD12 LEU 82 7.272 -10.914 31.189 6 HD11 LEU 82 HD13 LEU 82 6.587 -10.076 29.791 7 HD21 LEU 82 HD21 LEU 82 6.084 -10.703 33.468 8 HD23 LEU 82 HD22 LEU 82 4.624 -11.294 32.665 9 HD22 LEU 82 HD23 LEU 82 4.585 -9.775 33.553 10 H LEU 82 HN LEU 82 3.774 -8.099 32.868 11 HB3 LEU 82 HB1 LEU 82 7.192 -8.602 32.655 No H/Q in entry = 11 In of MODEL 7 1 HA GLU 83 HA GLU 83 2.296 -4.661 30.672 2 HB2 GLU 83 HB2 GLU 83 5.038 -3.331 30.455 3 HG2 GLU 83 HG2 GLU 83 2.793 -2.629 32.370 4 H GLU 83 HN GLU 83 3.344 -6.052 32.122 5 HB3 GLU 83 HB1 GLU 83 3.499 -2.595 30.013 6 HG3 GLU 83 HG1 GLU 83 4.308 -3.413 32.823 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 84 HA GLU 84 4.071 -6.191 26.745 2 HB2 GLU 84 HB2 GLU 84 6.194 -6.620 28.103 3 HG2 GLU 84 HG2 GLU 84 7.371 -7.957 26.452 4 H GLU 84 HN GLU 84 3.469 -7.096 29.494 5 HB3 GLU 84 HB1 GLU 84 5.714 -8.312 28.199 6 HG3 GLU 84 HG1 GLU 84 5.847 -8.525 25.790 No H/Q in entry = 6 In of MODEL 7 1 HA ASP 85 HA ASP 85 1.694 -9.815 25.873 2 HB2 ASP 85 HB2 ASP 85 0.370 -9.266 23.976 3 H ASP 85 HN ASP 85 3.645 -7.715 25.098 4 HB3 ASP 85 HB1 ASP 85 0.821 -7.708 24.642 No H/Q in entry = 4 In of MODEL 7 1 HA VAL 86 HA VAL 86 3.885 -12.114 22.634 2 HB VAL 86 HB VAL 86 2.382 -14.376 24.085 3 H VAL 86 HN VAL 86 1.585 -11.685 24.465 No H/Q in entry = 3 In of MODEL 7 1 HA SER 87 HA SER 87 0.404 -11.979 19.889 2 HB2 SER 87 HB2 SER 87 2.910 -11.858 18.162 3 HG SER 87 HG SER 87 2.078 -10.095 19.789 4 H SER 87 HN SER 87 3.154 -11.911 20.629 5 HB3 SER 87 HB1 SER 87 1.263 -11.588 17.580 No H/Q in entry = 5 In of MODEL 7 1 HA LEU 88 HA LEU 88 0.007 -16.337 19.521 2 HB2 LEU 88 HB2 LEU 88 -2.356 -15.319 19.705 3 HG LEU 88 HG LEU 88 -2.077 -17.902 18.138 4 HD12 LEU 88 HD11 LEU 88 -2.425 -17.419 21.120 5 HD11 LEU 88 HD12 LEU 88 -0.930 -17.921 20.323 6 HD13 LEU 88 HD13 LEU 88 -2.324 -18.988 20.321 7 HD21 LEU 88 HD21 LEU 88 -4.338 -16.927 17.870 8 HD23 LEU 88 HD22 LEU 88 -4.506 -16.846 19.627 9 HD22 LEU 88 HD23 LEU 88 -4.367 -18.408 18.823 10 H LEU 88 HN LEU 88 -0.793 -13.675 19.371 11 HB3 LEU 88 HB1 LEU 88 -2.427 -15.405 17.961 No H/Q in entry = 11 In of MODEL 7 1 HA ILE 89 HA ILE 89 -0.448 -16.304 14.693 2 HB ILE 89 HB ILE 89 0.162 -13.321 14.448 3 HD12 ILE 89 HD11 ILE 89 -2.587 -15.937 14.758 4 HD11 ILE 89 HD12 ILE 89 -2.762 -15.405 13.082 5 HD13 ILE 89 HD13 ILE 89 -3.870 -14.811 14.318 6 H ILE 89 HN ILE 89 -0.612 -14.335 16.690 No H/Q in entry = 6 In of MODEL 7 1 HA3 GLY 90 HA2 GLY 90 4.252 -14.860 14.607 2 H GLY 90 HN GLY 90 1.996 -14.161 16.112 3 HA2 GLY 90 HA1 GLY 90 4.269 -14.317 16.283 No H/Q in entry = 3 In of MODEL 7 1 HA LEU 91 HA LEU 91 4.831 -18.378 17.943 2 HB2 LEU 91 HB2 LEU 91 1.853 -18.479 18.560 3 HG LEU 91 HG LEU 91 2.902 -16.583 19.750 4 HD13 LEU 91 HD11 LEU 91 1.118 -17.795 20.886 5 HD12 LEU 91 HD12 LEU 91 2.312 -17.231 22.052 6 HD11 LEU 91 HD13 LEU 91 2.284 -18.932 21.573 7 HD22 LEU 91 HD21 LEU 91 5.232 -17.302 19.749 8 HD21 LEU 91 HD22 LEU 91 4.857 -18.642 20.832 9 HD23 LEU 91 HD23 LEU 91 4.710 -16.980 21.400 10 H LEU 91 HN LEU 91 2.827 -16.424 17.485 11 HB3 LEU 91 HB1 LEU 91 3.051 -19.580 19.226 No H/Q in entry = 11 In of MODEL 7 1 HA LEU 92 HA LEU 92 1.987 -21.079 15.116 2 HB2 LEU 92 HB2 LEU 92 0.631 -18.675 13.836 3 HG LEU 92 HG LEU 92 -0.151 -19.011 16.199 4 HD12 LEU 92 HD11 LEU 92 -2.227 -19.642 14.082 5 HD11 LEU 92 HD12 LEU 92 -1.662 -18.037 14.561 6 HD13 LEU 92 HD13 LEU 92 -2.550 -19.033 15.710 7 HD22 LEU 92 HD21 LEU 92 -1.452 -21.009 16.801 8 HD21 LEU 92 HD22 LEU 92 0.215 -21.430 16.416 9 HD23 LEU 92 HD23 LEU 92 -1.067 -21.747 15.244 10 H LEU 92 HN LEU 92 1.928 -18.350 15.952 11 HB3 LEU 92 HB1 LEU 92 0.257 -20.359 13.492 No H/Q in entry = 11 In of MODEL 7 1 HA GLU 93 HA GLU 93 4.340 -19.237 11.365 2 HB2 GLU 93 HB2 GLU 93 5.099 -16.606 12.727 3 HG2 GLU 93 HG2 GLU 93 2.740 -16.522 12.193 4 H GLU 93 HN GLU 93 3.485 -18.120 13.922 5 HB3 GLU 93 HB1 GLU 93 5.504 -17.050 11.070 6 HG3 GLU 93 HG1 GLU 93 3.645 -15.496 11.089 No H/Q in entry = 6 In of MODEL 7 1 HA3 GLY 94 HA2 GLY 94 7.599 -20.084 15.371 2 H GLY 94 HN GLY 94 5.594 -19.054 14.596 3 HA2 GLY 94 HA1 GLY 94 8.290 -19.959 13.760 No H/Q in entry = 3 In of MODEL 7 1 HA ARG 95 HA ARG 95 9.276 -15.623 14.912 2 HB2 ARG 95 HB2 ARG 95 7.655 -15.001 13.021 3 HG2 ARG 95 HG2 ARG 95 8.250 -12.902 15.118 4 HD2 ARG 95 HD2 ARG 95 7.781 -11.213 13.353 5 HE ARG 95 HE ARG 95 5.981 -12.025 15.024 6 HH11 ARG 95 HH11 ARG 95 5.483 -11.902 11.553 7 HH12 ARG 95 HH12 ARG 95 3.779 -11.609 11.690 8 HH21 ARG 95 HH21 ARG 95 3.767 -11.651 15.197 9 HH22 ARG 95 HH22 ARG 95 2.809 -11.436 13.763 10 H ARG 95 HN ARG 95 6.867 -17.082 14.193 11 HB3 ARG 95 HB1 ARG 95 6.485 -14.563 14.259 12 HG3 ARG 95 HG1 ARG 95 9.128 -13.218 13.618 13 HD3 ARG 95 HD1 ARG 95 7.099 -12.491 12.337 No H/Q in entry = 13 In of MODEL 7 1 HA ARG 96 HA ARG 96 7.116 -16.204 19.006 2 HB2 ARG 96 HB2 ARG 96 8.842 -17.188 20.631 3 HG2 ARG 96 HG2 ARG 96 10.477 -17.389 18.077 4 HD2 ARG 96 HD2 ARG 96 10.996 -18.895 20.657 5 HE ARG 96 HE ARG 96 12.682 -18.404 18.420 6 HH11 ARG 96 HH11 ARG 96 11.807 -20.947 20.688 7 HH12 ARG 96 HH12 ARG 96 13.269 -21.833 20.433 8 HH21 ARG 96 HH21 ARG 96 14.594 -19.595 18.099 9 HH22 ARG 96 HH22 ARG 96 14.848 -21.070 18.976 10 H ARG 96 HN ARG 96 9.147 -16.735 17.080 11 HB3 ARG 96 HB1 ARG 96 8.358 -18.205 19.281 12 HG3 ARG 96 HG1 ARG 96 10.963 -16.698 19.628 13 HD3 ARG 96 HD1 ARG 96 10.313 -19.638 19.208 No H/Q in entry = 13 In of MODEL 7 1 HA3 GLY 97 HA2 GLY 97 8.889 -12.144 19.692 2 H GLY 97 HN GLY 97 9.867 -14.389 18.032 3 HA2 GLY 97 HA1 GLY 97 10.623 -12.473 19.597 No H/Q in entry = 3 In of MODEL 7 1 HA SER 98 HA SER 98 9.366 -9.861 15.932 2 HB2 SER 98 HB2 SER 98 10.363 -7.588 16.053 3 HG SER 98 HG SER 98 11.118 -7.067 18.325 4 H SER 98 HN SER 98 10.017 -10.045 18.699 5 HB3 SER 98 HB1 SER 98 9.320 -7.881 17.444 No H/Q in entry = 5 In of MODEL 7 1 HA ALA 99 HA ALA 99 13.019 -11.270 13.901 2 HB3 ALA 99 HB1 ALA 99 12.499 -8.787 12.221 3 HB1 ALA 99 HB2 ALA 99 11.805 -10.384 11.941 4 HB2 ALA 99 HB3 ALA 99 13.544 -10.138 11.767 5 H ALA 99 HN ALA 99 10.895 -9.425 14.140 No H/Q in entry = 5 In of MODEL 7 1 HA LYS 100 HA LYS 100 15.701 -7.297 14.982 2 HB2 LYS 100 HB2 LYS 100 13.444 -6.211 16.724 3 HG2 LYS 100 HG2 LYS 100 14.615 -5.136 14.141 4 HD2 LYS 100 HD2 LYS 100 12.535 -3.914 15.992 5 HE2 LYS 100 HE2 LYS 100 11.820 -3.616 13.672 6 HZ1 LYS 100 HZ1 LYS 100 14.530 -2.524 13.194 7 HZ3 LYS 100 HZ2 LYS 100 13.243 -2.425 12.109 8 HZ2 LYS 100 HZ3 LYS 100 13.890 -3.934 12.520 9 H LYS 100 HN LYS 100 12.957 -7.854 14.774 10 HB3 LYS 100 HB1 LYS 100 15.053 -5.499 16.560 11 HG3 LYS 100 HG1 LYS 100 12.985 -5.781 14.358 12 HD3 LYS 100 HD1 LYS 100 14.131 -3.252 15.612 13 HE3 LYS 100 HE1 LYS 100 12.416 -2.086 14.319 No H/Q in entry = 13 In of MODEL 7 1 HA TRP 101 HA TRP 101 15.197 -8.685 19.629 2 HB2 TRP 101 HB2 TRP 101 12.744 -8.631 19.958 3 HD1 TRP 101 HD1 TRP 101 13.741 -8.673 22.476 4 HE1 TRP 101 HE1 TRP 101 13.932 -10.555 24.212 5 HE3 TRP 101 HE3 TRP 101 12.933 -12.691 19.426 6 HZ2 TRP 101 HZ2 TRP 101 13.762 -13.365 24.279 7 HZ3 TRP 101 HZ3 TRP 101 12.963 -14.946 20.406 8 HH2 TRP 101 HH2 TRP 101 13.372 -15.272 22.794 9 H TRP 101 HN TRP 101 13.396 -8.383 17.502 10 HB3 TRP 101 HB1 TRP 101 12.574 -10.177 19.134 No H/Q in entry = 10 In of MODEL 7 1 HA MET 102 HA MET 102 15.550 -13.262 18.315 2 HB2 MET 102 HB2 MET 102 14.326 -12.873 15.556 3 HG2 MET 102 HG2 MET 102 13.397 -14.491 17.943 4 HE1 MET 102 HE1 MET 102 11.397 -12.895 14.956 5 HE3 MET 102 HE2 MET 102 11.213 -14.271 13.870 6 HE2 MET 102 HE3 MET 102 12.801 -13.546 14.105 7 H MET 102 HN MET 102 14.260 -10.994 17.095 8 HB3 MET 102 HB1 MET 102 15.044 -14.393 16.080 9 HG3 MET 102 HG1 MET 102 12.641 -13.025 17.322 No H/Q in entry = 9 In of MODEL 7 1 HA ALA 103 HA ALA 103 18.974 -12.067 15.251 2 HB2 ALA 103 HB1 ALA 103 19.529 -9.879 14.240 3 HB1 ALA 103 HB2 ALA 103 18.165 -9.137 15.086 4 HB3 ALA 103 HB3 ALA 103 17.878 -10.363 13.851 5 H ALA 103 HN ALA 103 16.602 -10.679 16.232 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 104 HA GLU 104 20.813 -9.128 18.529 2 HB2 GLU 104 HB2 GLU 104 18.173 -8.113 19.682 3 HG2 GLU 104 HG2 GLU 104 19.927 -6.854 17.560 4 H GLU 104 HN GLU 104 18.069 -9.709 17.709 5 HB3 GLU 104 HB1 GLU 104 19.780 -7.442 19.979 6 HG3 GLU 104 HG1 GLU 104 18.295 -7.450 17.338 No H/Q in entry = 6 In of MODEL 7 1 HA HIS 105 HA HIS 105 19.650 -12.131 21.856 2 HB2 HIS 105 HB2 HIS 105 16.612 -11.739 21.869 3 HD1 HIS 105 HD1 HIS 105 19.059 -10.388 24.402 4 HD2 HIS 105 HD2 HIS 105 16.400 -9.022 21.516 5 HE1 HIS 105 HE1 HIS 105 18.913 -7.907 24.735 6 HE2 HIS 105 HE2 HIS 105 17.191 -7.129 23.081 7 H HIS 105 HN HIS 105 18.176 -11.139 19.494 8 HB3 HIS 105 HB1 HIS 105 17.622 -12.267 23.210 No H/Q in entry = 8 In of MODEL 7 1 HA PRO 106 HA PRO 106 18.169 -15.551 19.060 2 HB2 PRO 106 HB2 PRO 106 20.525 -16.597 18.269 3 HG2 PRO 106 HG2 PRO 106 22.033 -15.402 19.598 4 HD2 PRO 106 HD2 PRO 106 21.298 -13.571 20.803 5 HB3 PRO 106 HB1 PRO 106 19.874 -15.135 17.519 6 HG3 PRO 106 HG1 PRO 106 21.965 -14.324 18.187 7 HD3 PRO 106 HD1 PRO 106 20.769 -12.721 19.337 No H/Q in entry = 7 In of MODEL 7 1 HA LEU 107 HA LEU 107 19.251 -18.734 22.012 2 HB2 LEU 107 HB2 LEU 107 17.228 -19.764 20.000 3 HG LEU 107 HG LEU 107 17.056 -19.348 23.011 4 HD13 LEU 107 HD11 LEU 107 15.245 -17.768 22.509 5 HD12 LEU 107 HD12 LEU 107 15.477 -18.033 20.778 6 HD11 LEU 107 HD13 LEU 107 16.751 -17.270 21.731 7 HD21 LEU 107 HD21 LEU 107 15.937 -21.441 22.420 8 HD23 LEU 107 HD22 LEU 107 14.999 -20.613 21.174 9 HD22 LEU 107 HD23 LEU 107 14.759 -20.210 22.875 10 H LEU 107 HN LEU 107 18.443 -17.864 19.304 11 HB3 LEU 107 HB1 LEU 107 17.914 -20.872 21.168 No H/Q in entry = 11 In of MODEL 7 1 HA ALA 108 HA ALA 108 22.268 -21.551 20.349 2 HB1 ALA 108 HB1 ALA 108 22.099 -22.471 22.633 3 HB2 ALA 108 HB2 ALA 108 22.377 -23.752 21.453 4 HB3 ALA 108 HB3 ALA 108 20.761 -23.505 22.128 5 H ALA 108 HN ALA 108 19.995 -21.092 22.017 No H/Q in entry = 5 In of MODEL 7 1 HA SER 109 HA SER 109 18.918 -24.301 18.097 2 HB2 SER 109 HB2 SER 109 16.788 -22.152 18.527 3 HG SER 109 HG SER 109 17.521 -24.386 20.021 4 H SER 109 HN SER 109 18.896 -22.217 20.018 5 HB3 SER 109 HB1 SER 109 16.556 -23.738 17.786 No H/Q in entry = 5 In of MODEL 8 1 H1 MET 1 HT1 MET 1 -8.679 -6.873 -5.049 2 H2 MET 1 HT3 MET 1 -8.675 -6.016 -6.508 3 H3 MET 1 HT2 MET 1 -7.809 -7.464 -6.370 4 HB3 MET 1 HB1 MET 1 -5.116 -4.970 -6.244 5 HG3 MET 1 HG1 MET 1 -4.953 -6.174 -8.321 6 HA MET 1 HA MET 1 -6.336 -6.494 -4.768 7 HB2 MET 1 HB2 MET 1 -6.566 -4.660 -7.196 8 HG2 MET 1 HG2 MET 1 -6.546 -6.899 -8.087 9 HE3 MET 1 HE1 MET 1 -5.722 -9.398 -8.435 10 HE2 MET 1 HE2 MET 1 -4.285 -10.061 -7.658 11 HE1 MET 1 HE3 MET 1 -4.128 -8.758 -8.836 No H/Q in entry = 11 In of MODEL 8 1 HA GLU 2 HA GLU 2 -8.822 -3.130 -2.972 2 HB2 GLU 2 HB2 GLU 2 -8.414 -5.064 -0.641 3 HG2 GLU 2 HG2 GLU 2 -10.911 -5.430 -0.809 4 H GLU 2 HN GLU 2 -7.584 -5.774 -2.964 5 HB3 GLU 2 HB1 GLU 2 -9.410 -3.617 -0.619 6 HG3 GLU 2 HG1 GLU 2 -10.850 -4.682 -2.402 No H/Q in entry = 6 In of MODEL 8 1 HA VAL 3 HA VAL 3 -4.987 -1.328 -1.734 2 HB VAL 3 HB VAL 3 -5.077 1.121 -1.754 3 H VAL 3 HN VAL 3 -7.779 -1.291 -2.400 No H/Q in entry = 3 In of MODEL 8 1 HA SER 4 HA SER 4 -5.760 -1.378 2.620 2 HB2 SER 4 HB2 SER 4 -2.736 -1.672 2.369 3 HG SER 4 HG SER 4 -4.512 -3.260 1.388 4 H SER 4 HN SER 4 -4.073 -1.275 0.253 5 HB3 SER 4 HB1 SER 4 -3.719 -2.091 3.779 No H/Q in entry = 5 In of MODEL 8 1 HA ALA 5 HA ALA 5 -4.637 2.992 3.015 2 HB2 ALA 5 HB1 ALA 5 -6.569 4.453 2.574 3 HB1 ALA 5 HB2 ALA 5 -7.624 3.043 2.429 4 HB3 ALA 5 HB3 ALA 5 -6.340 3.310 1.248 5 H ALA 5 HN ALA 5 -6.483 0.807 2.395 No H/Q in entry = 5 In of MODEL 8 1 HA ASN 6 HA ASN 6 -5.742 3.331 7.249 2 HB2 ASN 6 HB2 ASN 6 -5.837 5.603 8.218 3 HD21 ASN 6 HD21 ASN 6 -4.584 6.653 5.156 4 HD22 ASN 6 HD22 ASN 6 -5.732 7.912 4.880 5 H ASN 6 HN ASN 6 -5.435 4.611 4.714 6 HB3 ASN 6 HB1 ASN 6 -4.517 5.461 7.070 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 7 HA GLU 7 -10.310 4.856 6.682 2 HB2 GLU 7 HB2 GLU 7 -11.587 5.148 4.594 3 HG2 GLU 7 HG2 GLU 7 -8.981 4.536 3.172 4 H GLU 7 HN GLU 7 -7.996 4.840 5.013 5 HB3 GLU 7 HB1 GLU 7 -10.175 6.202 4.624 6 HG3 GLU 7 HG1 GLU 7 -10.479 3.616 3.064 No H/Q in entry = 6 In of MODEL 8 1 HA LEU 8 HA LEU 8 -10.871 0.424 4.931 2 HB2 LEU 8 HB2 LEU 8 -7.989 0.348 4.057 3 HG LEU 8 HG LEU 8 -8.826 -0.798 2.061 4 HD11 LEU 8 HD11 LEU 8 -10.627 -2.094 3.084 5 HD13 LEU 8 HD12 LEU 8 -11.188 -1.214 1.665 6 HD12 LEU 8 HD13 LEU 8 -11.598 -0.629 3.281 7 HD23 LEU 8 HD21 LEU 8 -10.442 1.701 2.653 8 HD22 LEU 8 HD22 LEU 8 -10.135 1.011 1.055 9 HD21 LEU 8 HD23 LEU 8 -8.797 1.638 2.012 10 H LEU 8 HN LEU 8 -8.714 2.335 4.839 11 HB3 LEU 8 HB1 LEU 8 -8.733 -1.182 4.459 No H/Q in entry = 11 In of MODEL 8 1 HA GLU 9 HA GLU 9 -7.881 0.914 9.271 2 HB2 GLU 9 HB2 GLU 9 -9.546 0.192 10.905 3 HG2 GLU 9 HG2 GLU 9 -11.541 -0.227 8.674 4 H GLU 9 HN GLU 9 -8.737 1.593 7.277 5 HB3 GLU 9 HB1 GLU 9 -10.233 1.419 9.851 6 HG3 GLU 9 HG1 GLU 9 -10.723 -1.552 9.499 No H/Q in entry = 6 In of MODEL 8 1 HA ALA 10 HA ALA 10 -7.646 -3.425 7.489 2 HB1 ALA 10 HB1 ALA 10 -6.705 -2.354 5.495 3 HB3 ALA 10 HB2 ALA 10 -5.810 -3.811 5.933 4 HB2 ALA 10 HB3 ALA 10 -5.137 -2.215 6.291 5 H ALA 10 HN ALA 10 -6.854 -0.697 7.412 No H/Q in entry = 5 In of MODEL 8 1 HA ALA 11 HA ALA 11 -3.918 -3.942 10.463 2 HB2 ALA 11 HB1 ALA 11 -3.096 -1.633 10.779 3 HB3 ALA 11 HB2 ALA 11 -3.192 -2.497 12.315 4 HB1 ALA 11 HB3 ALA 11 -4.425 -1.304 11.891 5 H ALA 11 HN ALA 11 -5.504 -1.685 9.593 No H/Q in entry = 5 In of MODEL 8 1 HA SER 12 HA SER 12 -7.152 -3.888 14.064 2 HB2 SER 12 HB2 SER 12 -9.339 -2.653 14.228 3 HG SER 12 HG SER 12 -10.061 -1.520 12.609 4 H SER 12 HN SER 12 -6.675 -2.144 11.865 5 HB3 SER 12 HB1 SER 12 -7.955 -1.569 14.078 No H/Q in entry = 5 In of MODEL 8 1 HA SER 13 HA SER 13 -10.380 -5.735 10.900 2 HB2 SER 13 HB2 SER 13 -8.805 -4.707 8.493 3 HG SER 13 HG SER 13 -10.031 -3.085 9.478 4 H SER 13 HN SER 13 -8.421 -3.692 10.775 5 HB3 SER 13 HB1 SER 13 -10.262 -5.701 8.402 No H/Q in entry = 5 In of MODEL 8 1 HA ARG 14 HA ARG 14 -6.678 -8.409 9.195 2 HB2 ARG 14 HB2 ARG 14 -4.838 -6.683 9.013 3 HG2 ARG 14 HG2 ARG 14 -2.896 -8.147 9.373 4 HD2 ARG 14 HD2 ARG 14 -5.311 -9.688 8.359 5 HE ARG 14 HE ARG 14 -2.482 -10.408 8.326 6 HH11 ARG 14 HH11 ARG 14 -5.678 -11.056 7.004 7 HH12 ARG 14 HH12 ARG 14 -5.220 -12.598 6.362 8 HH21 ARG 14 HH21 ARG 14 -1.912 -12.432 7.512 9 HH22 ARG 14 HH22 ARG 14 -3.080 -13.382 6.646 10 H ARG 14 HN ARG 14 -6.891 -5.772 10.166 11 HB3 ARG 14 HB1 ARG 14 -4.515 -6.889 10.728 12 HG3 ARG 14 HG1 ARG 14 -3.879 -9.240 10.351 13 HD3 ARG 14 HD1 ARG 14 -4.253 -8.658 7.388 No H/Q in entry = 13 In of MODEL 8 1 HA MET 15 HA MET 15 -5.732 -9.460 13.880 2 HB2 MET 15 HB2 MET 15 -6.958 -6.820 14.692 3 HG2 MET 15 HG2 MET 15 -5.011 -6.558 16.052 4 HE2 MET 15 HE1 MET 15 -2.126 -8.018 14.974 5 HE1 MET 15 HE2 MET 15 -2.257 -6.325 15.464 6 HE3 MET 15 HE3 MET 15 -1.613 -6.738 13.874 7 H MET 15 HN MET 15 -6.273 -7.099 12.487 8 HB3 MET 15 HB1 MET 15 -6.944 -8.142 15.854 9 HG3 MET 15 HG1 MET 15 -4.559 -8.252 15.849 No H/Q in entry = 9 In of MODEL 8 1 HA GLU 16 HA GLU 16 -10.576 -9.855 14.442 2 HB2 GLU 16 HB2 GLU 16 -11.119 -8.166 11.956 3 HG2 GLU 16 HG2 GLU 16 -10.617 -6.738 13.878 4 H GLU 16 HN GLU 16 -8.910 -7.965 13.207 5 HB3 GLU 16 HB1 GLU 16 -12.358 -9.017 12.879 6 HG3 GLU 16 HG1 GLU 16 -12.317 -6.631 13.429 No H/Q in entry = 6 In of MODEL 8 1 HA MET 17 HA MET 17 -10.537 -12.085 10.106 2 HB2 MET 17 HB2 MET 17 -7.918 -10.727 9.327 3 HG2 MET 17 HG2 MET 17 -9.895 -9.358 8.849 4 HE2 MET 17 HE1 MET 17 -10.177 -13.012 7.277 5 HE1 MET 17 HE2 MET 17 -10.153 -11.946 5.870 6 HE3 MET 17 HE3 MET 17 -11.627 -12.817 6.290 7 H MET 17 HN MET 17 -9.254 -9.795 11.162 8 HB3 MET 17 HB1 MET 17 -8.621 -12.067 8.422 9 HG3 MET 17 HG1 MET 17 -9.136 -9.942 7.367 No H/Q in entry = 9 In of MODEL 8 1 HA LEU 18 HA LEU 18 -6.366 -14.255 11.342 2 HB2 LEU 18 HB2 LEU 18 -5.702 -12.108 13.381 3 HG LEU 18 HG LEU 18 -5.144 -11.503 10.993 4 HD12 LEU 18 HD11 LEU 18 -2.756 -11.850 12.830 5 HD11 LEU 18 HD12 LEU 18 -3.898 -10.504 12.837 6 HD13 LEU 18 HD13 LEU 18 -2.852 -10.760 11.443 7 HD22 LEU 18 HD21 LEU 18 -3.309 -12.674 9.851 8 HD21 LEU 18 HD22 LEU 18 -4.684 -13.744 10.121 9 HD23 LEU 18 HD23 LEU 18 -3.250 -13.871 11.147 10 H LEU 18 HN LEU 18 -7.398 -11.650 11.715 11 HB3 LEU 18 HB1 LEU 18 -4.759 -13.579 13.187 No H/Q in entry = 11 In of MODEL 8 1 HA GLN 19 HA GLN 19 -8.311 -14.798 15.840 2 HB2 GLN 19 HB2 GLN 19 -10.514 -12.833 15.076 3 HG2 GLN 19 HG2 GLN 19 -8.603 -12.703 17.421 4 HE21 GLN 19 HE21 GLN 19 -8.630 -9.754 16.775 5 HE22 GLN 19 HE22 GLN 19 -10.083 -9.171 17.500 6 H GLN 19 HN GLN 19 -8.345 -12.792 13.861 7 HB3 GLN 19 HB1 GLN 19 -10.554 -13.828 16.530 8 HG3 GLN 19 HG1 GLN 19 -8.396 -11.790 15.931 No H/Q in entry = 8 In of MODEL 8 1 HA ARG 20 HA ARG 20 -12.080 -16.686 13.686 2 HB2 ARG 20 HB2 ARG 20 -13.522 -16.030 11.829 3 HG2 ARG 20 HG2 ARG 20 -11.600 -13.745 11.249 4 HD2 ARG 20 HD2 ARG 20 -13.919 -13.023 10.949 5 HE ARG 20 HE ARG 20 -14.436 -15.632 10.056 6 HH11 ARG 20 HH11 ARG 20 -15.300 -12.374 9.106 7 HH12 ARG 20 HH12 ARG 20 -16.805 -12.854 8.400 8 HH21 ARG 20 HH21 ARG 20 -16.422 -16.241 9.169 9 HH22 ARG 20 HH22 ARG 20 -17.443 -15.045 8.436 10 H ARG 20 HN ARG 20 -10.602 -14.244 13.145 11 HB3 ARG 20 HB1 ARG 20 -13.231 -14.647 12.878 12 HG3 ARG 20 HG1 ARG 20 -11.866 -15.142 10.202 13 HD3 ARG 20 HD1 ARG 20 -13.137 -13.226 9.376 No H/Q in entry = 13 In of MODEL 8 1 HA GLU 21 HA GLU 21 -9.695 -17.927 9.739 2 HB2 GLU 21 HB2 GLU 21 -8.517 -15.767 9.269 3 HG2 GLU 21 HG2 GLU 21 -6.559 -16.593 8.049 4 H GLU 21 HN GLU 21 -9.310 -15.920 11.812 5 HB3 GLU 21 HB1 GLU 21 -7.229 -16.241 10.368 6 HG3 GLU 21 HG1 GLU 21 -6.659 -18.136 8.903 No H/Q in entry = 6 In of MODEL 8 1 HA TYR 22 HA TYR 22 -6.248 -20.200 11.921 2 HB2 TYR 22 HB2 TYR 22 -4.953 -17.865 13.404 3 HD1 TYR 22 HD1 TYR 22 -4.544 -16.262 11.652 4 HD2 TYR 22 HD2 TYR 22 -3.614 -20.382 10.979 5 HE1 TYR 22 HE1 TYR 22 -3.381 -15.667 9.571 6 HE2 TYR 22 HE2 TYR 22 -2.452 -19.774 8.906 7 HH TYR 22 HH TYR 22 -2.425 -17.989 7.267 8 H TYR 22 HN TYR 22 -7.003 -17.388 12.059 9 HB3 TYR 22 HB1 TYR 22 -4.283 -19.491 13.290 No H/Q in entry = 9 In of MODEL 8 1 HA SER 23 HA SER 23 -8.230 -19.638 16.257 2 HB2 SER 23 HB2 SER 23 -5.269 -19.855 17.018 3 HG SER 23 HG SER 23 -7.100 -21.658 15.911 4 H SER 23 HN SER 23 -6.330 -18.073 14.785 5 HB3 SER 23 HB1 SER 23 -6.603 -20.401 18.035 No H/Q in entry = 5 In of MODEL 8 1 HA THR 24 HA THR 24 -7.271 -16.211 19.081 2 HB THR 24 HB THR 24 -9.197 -15.927 20.729 3 HG1 THR 24 HG1 THR 24 -10.914 -17.256 20.662 4 HG22 THR 24 HG21 THR 24 -10.023 -16.020 17.809 5 HG21 THR 24 HG22 THR 24 -9.192 -14.679 18.600 6 HG23 THR 24 HG23 THR 24 -10.832 -15.106 19.092 7 H THR 24 HN THR 24 -8.744 -18.646 18.262 No H/Q in entry = 7 In of MODEL 8 1 HA LEU 25 HA LEU 25 -5.968 -18.773 22.494 2 HB2 LEU 25 HB2 LEU 25 -4.287 -16.768 22.267 3 HG LEU 25 HG LEU 25 -4.517 -18.199 24.953 4 HD12 LEU 25 HD11 LEU 25 -2.893 -18.913 22.490 5 HD11 LEU 25 HD12 LEU 25 -4.354 -19.739 23.046 6 HD13 LEU 25 HD13 LEU 25 -2.899 -19.769 24.031 7 HD22 LEU 25 HD21 LEU 25 -3.081 -16.224 25.167 8 HD21 LEU 25 HD22 LEU 25 -2.136 -16.730 23.763 9 HD23 LEU 25 HD23 LEU 25 -2.119 -17.701 25.237 10 H LEU 25 HN LEU 25 -6.652 -16.117 21.398 11 HB3 LEU 25 HB1 LEU 25 -5.100 -16.113 23.683 No H/Q in entry = 11 In of MODEL 8 1 HA ARG 26 HA ARG 26 -9.249 -17.976 25.352 2 HB2 ARG 26 HB2 ARG 26 -10.276 -20.034 26.114 3 HG2 ARG 26 HG2 ARG 26 -7.985 -21.625 24.927 4 HD2 ARG 26 HD2 ARG 26 -10.166 -22.772 24.789 5 HE ARG 26 HE ARG 26 -10.997 -21.578 26.983 6 HH11 ARG 26 HH11 ARG 26 -10.267 -24.977 26.590 7 HH12 ARG 26 HH12 ARG 26 -11.350 -25.467 27.848 8 HH21 ARG 26 HH21 ARG 26 -12.401 -22.243 28.633 9 HH22 ARG 26 HH22 ARG 26 -12.549 -23.936 28.994 10 H ARG 26 HN ARG 26 -7.125 -19.624 24.166 11 HB3 ARG 26 HB1 ARG 26 -9.873 -20.183 24.408 12 HG3 ARG 26 HG1 ARG 26 -8.214 -21.371 26.658 13 HD3 ARG 26 HD1 ARG 26 -9.087 -23.559 25.955 No H/Q in entry = 13 In of MODEL 8 1 HA SER 27 HA SER 27 -6.189 -18.462 28.898 2 HB2 SER 27 HB2 SER 27 -6.684 -21.473 28.717 3 HG SER 27 HG SER 27 -8.238 -19.294 29.459 4 H SER 27 HN SER 27 -6.317 -19.739 26.306 5 HB3 SER 27 HB1 SER 27 -6.188 -20.632 30.188 No H/Q in entry = 5 In of MODEL 8 1 HA VAL 28 HA VAL 28 -2.142 -20.596 28.640 2 HB VAL 28 HB VAL 28 -1.762 -17.936 30.125 3 H VAL 28 HN VAL 28 -4.280 -19.274 30.160 No H/Q in entry = 3 In of MODEL 8 1 HA GLN 29 HA GLN 29 -0.957 -21.690 32.872 2 HB2 GLN 29 HB2 GLN 29 -1.013 -24.210 32.951 3 HG2 GLN 29 HG2 GLN 29 -1.671 -23.999 30.005 4 HE21 GLN 29 HE21 GLN 29 -0.831 -26.740 29.606 5 HE22 GLN 29 HE22 GLN 29 -2.102 -27.742 30.209 6 H GLN 29 HN GLN 29 -0.816 -21.811 29.950 7 HB3 GLN 29 HB1 GLN 29 -2.487 -23.495 32.295 8 HG3 GLN 29 HG1 GLN 29 -0.251 -24.776 30.688 No H/Q in entry = 8 In of MODEL 8 1 HA TYR 30 HA TYR 30 3.419 -21.962 31.875 2 HB2 TYR 30 HB2 TYR 30 3.608 -19.842 33.065 3 HD1 TYR 30 HD1 TYR 30 4.886 -21.329 36.071 4 HD2 TYR 30 HD2 TYR 30 5.831 -20.707 31.949 5 HE1 TYR 30 HE1 TYR 30 7.249 -21.793 36.543 6 HE2 TYR 30 HE2 TYR 30 8.197 -21.162 32.427 7 HH TYR 30 HH TYR 30 9.239 -22.511 35.409 8 H TYR 30 HN TYR 30 1.091 -21.108 33.346 9 HB3 TYR 30 HB1 TYR 30 3.158 -20.587 34.596 No H/Q in entry = 9 In of MODEL 8 1 HA ARG 31 HA ARG 31 3.335 -25.811 34.178 2 HB2 ARG 31 HB2 ARG 31 4.185 -26.549 31.338 3 HG2 ARG 31 HG2 ARG 31 1.467 -26.769 32.682 4 HD2 ARG 31 HD2 ARG 31 0.681 -27.662 30.499 5 HE ARG 31 HE ARG 31 2.424 -29.203 32.219 6 HH11 ARG 31 HH11 ARG 31 0.287 -29.409 29.411 7 HH12 ARG 31 HH12 ARG 31 0.026 -31.110 29.610 8 HH21 ARG 31 HH21 ARG 31 2.048 -31.399 32.457 9 HH22 ARG 31 HH22 ARG 31 1.003 -32.237 31.353 10 H ARG 31 HN ARG 31 3.686 -24.121 31.820 11 HB3 ARG 31 HB1 ARG 31 3.796 -27.694 32.627 12 HG3 ARG 31 HG1 ARG 31 1.885 -25.719 31.324 13 HD3 ARG 31 HD1 ARG 31 2.356 -27.745 29.946 No H/Q in entry = 13 In of MODEL 8 1 HA SER 32 HA SER 32 7.715 -24.905 34.965 2 HB2 SER 32 HB2 SER 32 6.606 -23.985 37.031 3 HG SER 32 HG SER 32 8.526 -25.765 38.023 4 H SER 32 HN SER 32 4.950 -25.193 35.557 5 HB3 SER 32 HB1 SER 32 6.408 -25.629 37.636 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 33 HA GLU 33 7.338 -29.847 35.841 2 HB2 GLU 33 HB2 GLU 33 5.306 -29.645 33.567 3 HG2 GLU 33 HG2 GLU 33 4.815 -30.517 36.428 4 H GLU 33 HN GLU 33 5.697 -27.692 35.328 5 HB3 GLU 33 HB1 GLU 33 5.888 -31.143 34.298 6 HG3 GLU 33 HG1 GLU 33 4.252 -29.007 35.702 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 34 HA GLU 34 9.242 -29.472 31.543 2 HB2 GLU 34 HB2 GLU 34 7.106 -27.709 30.275 3 HG2 GLU 34 HG2 GLU 34 6.032 -29.739 31.213 4 H GLU 34 HN GLU 34 6.977 -28.056 32.820 5 HB3 GLU 34 HB1 GLU 34 8.275 -28.718 29.426 6 HG3 GLU 34 HG1 GLU 34 5.970 -29.642 29.451 No H/Q in entry = 6 In of MODEL 8 1 HA3 GLY 35 HA2 GLY 35 9.437 -24.533 33.367 2 H GLY 35 HN GLY 35 8.408 -26.565 33.085 3 HA2 GLY 35 HA1 GLY 35 10.812 -25.152 32.462 No H/Q in entry = 3 In of MODEL 8 1 HA VAL 36 HA VAL 36 8.254 -22.994 29.227 2 HB VAL 36 HB VAL 36 6.956 -24.191 27.533 3 H VAL 36 HN VAL 36 7.509 -25.019 31.256 No H/Q in entry = 3 In of MODEL 8 1 HA ILE 37 HA ILE 37 4.162 -21.363 30.072 2 HB ILE 37 HB ILE 37 5.117 -19.624 27.740 3 HD13 ILE 37 HD11 ILE 37 7.158 -17.360 29.953 4 HD12 ILE 37 HD12 ILE 37 5.491 -17.053 29.470 5 HD11 ILE 37 HD13 ILE 37 6.665 -17.628 28.281 6 H ILE 37 HN ILE 37 6.631 -21.639 28.529 No H/Q in entry = 6 In of MODEL 8 1 HA VAL 38 HA VAL 38 2.261 -23.386 26.542 2 HB VAL 38 HB VAL 38 1.000 -24.510 29.079 3 H VAL 38 HN VAL 38 2.455 -22.547 29.365 No H/Q in entry = 3 In of MODEL 8 1 HA PHE 39 HA PHE 39 -1.109 -20.483 26.292 2 HB2 PHE 39 HB2 PHE 39 0.088 -20.740 23.493 3 HD1 PHE 39 HD1 PHE 39 -0.171 -17.653 25.457 4 HD2 PHE 39 HD2 PHE 39 2.453 -20.796 24.233 5 HE1 PHE 39 HE1 PHE 39 1.762 -16.323 26.172 6 HE2 PHE 39 HE2 PHE 39 4.381 -19.462 24.948 7 HZ PHE 39 HZ PHE 39 4.033 -17.216 25.918 8 H PHE 39 HN PHE 39 1.046 -22.171 25.321 9 HB3 PHE 39 HB1 PHE 39 -0.990 -19.467 24.055 No H/Q in entry = 9 In of MODEL 8 1 HA ILE 40 HA ILE 40 -3.732 -23.881 24.907 2 HB ILE 40 HB ILE 40 -5.426 -22.448 27.004 3 HD11 ILE 40 HD11 ILE 40 -5.183 -23.231 29.451 4 HD13 ILE 40 HD12 ILE 40 -4.039 -24.514 29.829 5 HD12 ILE 40 HD13 ILE 40 -5.525 -24.895 28.966 6 H ILE 40 HN ILE 40 -2.958 -21.654 26.586 No H/Q in entry = 6 In of MODEL 8 1 HA LEU 41 HA LEU 41 -5.650 -21.079 21.976 2 HB2 LEU 41 HB2 LEU 41 -5.441 -23.892 20.830 3 HG LEU 41 HG LEU 41 -3.285 -22.705 20.777 4 HD12 LEU 41 HD11 LEU 41 -4.555 -22.789 18.012 5 HD11 LEU 41 HD12 LEU 41 -3.793 -24.145 18.844 6 HD13 LEU 41 HD13 LEU 41 -2.821 -22.763 18.355 7 HD23 LEU 41 HD21 LEU 41 -3.032 -20.586 19.548 8 HD22 LEU 41 HD22 LEU 41 -4.080 -20.420 20.952 9 HD21 LEU 41 HD23 LEU 41 -4.783 -20.506 19.334 10 H LEU 41 HN LEU 41 -4.423 -23.442 22.925 11 HB3 LEU 41 HB1 LEU 41 -6.210 -22.585 19.949 No H/Q in entry = 11 In of MODEL 8 1 HA ALA 42 HA ALA 42 -9.964 -21.625 22.660 2 HB3 ALA 42 HB1 ALA 42 -11.383 -20.685 20.886 3 HB1 ALA 42 HB2 ALA 42 -10.031 -20.759 19.750 4 HB2 ALA 42 HB3 ALA 42 -9.954 -19.680 21.143 5 H ALA 42 HN ALA 42 -7.802 -20.968 20.952 No H/Q in entry = 5 In of MODEL 8 1 HA ASN 43 HA ASN 43 -10.573 -25.344 19.755 2 HB2 ASN 43 HB2 ASN 43 -9.062 -26.318 18.008 3 HD21 ASN 43 HD21 ASN 43 -7.624 -24.175 16.448 4 HD22 ASN 43 HD22 ASN 43 -6.017 -24.200 17.067 5 H ASN 43 HN ASN 43 -8.492 -23.310 19.992 6 HB3 ASN 43 HB1 ASN 43 -9.442 -24.631 17.705 No H/Q in entry = 6 In of MODEL 8 1 HA ASP 44 HA ASP 44 -7.652 -25.796 23.872 2 HB2 ASP 44 HB2 ASP 44 -9.014 -28.282 22.762 3 H ASP 44 HN ASP 44 -8.367 -24.752 22.037 4 HB3 ASP 44 HB1 ASP 44 -8.293 -28.187 24.366 No H/Q in entry = 4 In of MODEL 8 1 HA ARG 45 HA ARG 45 -4.257 -28.027 21.596 2 HB2 ARG 45 HB2 ARG 45 -4.768 -27.127 19.312 3 HG2 ARG 45 HG2 ARG 45 -1.892 -26.978 20.250 4 HD2 ARG 45 HD2 ARG 45 -2.892 -26.808 17.397 5 HE ARG 45 HE ARG 45 -0.937 -27.843 16.944 6 HH11 ARG 45 HH11 ARG 45 -0.283 -25.791 19.740 7 HH12 ARG 45 HH12 ARG 45 1.411 -26.149 19.744 8 HH21 ARG 45 HH21 ARG 45 1.260 -28.308 16.991 9 HH22 ARG 45 HH22 ARG 45 2.286 -27.576 18.186 10 H ARG 45 HN ARG 45 -6.125 -25.818 21.242 11 HB3 ARG 45 HB1 ARG 45 -4.025 -25.600 19.779 12 HG3 ARG 45 HG1 ARG 45 -2.694 -28.295 19.390 13 HD3 ARG 45 HD1 ARG 45 -2.003 -25.552 18.268 No H/Q in entry = 13 In of MODEL 8 1 HA GLU 46 HA GLU 46 -1.699 -25.600 24.286 2 HB2 GLU 46 HB2 GLU 46 -0.621 -28.446 24.205 3 HG2 GLU 46 HG2 GLU 46 -2.216 -26.983 26.339 4 H GLU 46 HN GLU 46 -2.410 -27.952 22.744 5 HB3 GLU 46 HB1 GLU 46 0.013 -27.199 25.281 6 HG3 GLU 46 HG1 GLU 46 -2.847 -28.243 25.275 No H/Q in entry = 6 In of MODEL 8 1 HA LEU 47 HA LEU 47 1.634 -24.652 21.397 2 HB2 LEU 47 HB2 LEU 47 0.292 -22.113 22.330 3 HG LEU 47 HG LEU 47 -0.558 -23.222 20.224 4 HD13 LEU 47 HD11 LEU 47 -0.870 -20.821 20.557 5 HD12 LEU 47 HD12 LEU 47 -0.584 -21.179 18.856 6 HD11 LEU 47 HD13 LEU 47 0.709 -20.496 19.843 7 HD21 LEU 47 HD21 LEU 47 1.626 -24.157 19.469 8 HD23 LEU 47 HD22 LEU 47 2.185 -22.523 19.096 9 HD22 LEU 47 HD23 LEU 47 0.825 -23.217 18.205 10 H LEU 47 HN LEU 47 -0.622 -24.058 23.133 11 HB3 LEU 47 HB1 LEU 47 1.887 -22.027 21.598 No H/Q in entry = 11 In of MODEL 8 1 HA LYS 48 HA LYS 48 4.125 -24.537 25.045 2 HB2 LYS 48 HB2 LYS 48 3.760 -26.899 24.452 3 HG2 LYS 48 HG2 LYS 48 6.737 -26.478 24.895 4 HD2 LYS 48 HD2 LYS 48 4.934 -28.815 25.629 5 HE2 LYS 48 HE2 LYS 48 7.925 -28.486 26.033 6 HZ3 LYS 48 HZ1 LYS 48 7.663 -30.559 27.281 7 HZ2 LYS 48 HZ2 LYS 48 7.345 -30.750 25.631 8 HZ1 LYS 48 HZ3 LYS 48 6.067 -30.673 26.735 9 H LYS 48 HN LYS 48 3.585 -25.025 22.170 10 HB3 LYS 48 HB1 LYS 48 4.987 -26.795 23.191 11 HG3 LYS 48 HG1 LYS 48 5.513 -26.468 26.168 12 HD3 LYS 48 HD1 LYS 48 6.158 -28.825 24.354 13 HE3 LYS 48 HE1 LYS 48 6.716 -28.397 27.316 No H/Q in entry = 13 In of MODEL 8 1 HA PHE 49 HA PHE 49 8.005 -22.831 23.735 2 HB2 PHE 49 HB2 PHE 49 6.079 -20.472 23.940 3 HD1 PHE 49 HD1 PHE 49 8.808 -20.762 21.502 4 HD2 PHE 49 HD2 PHE 49 4.645 -21.503 22.180 5 HE1 PHE 49 HE1 PHE 49 8.459 -21.059 19.081 6 HE2 PHE 49 HE2 PHE 49 4.310 -21.796 19.760 7 HZ PHE 49 HZ PHE 49 6.215 -21.575 18.210 8 H PHE 49 HN PHE 49 5.393 -22.793 25.128 9 HB3 PHE 49 HB1 PHE 49 7.801 -20.248 23.654 No H/Q in entry = 9 In of MODEL 8 1 HA ARG 50 HA ARG 50 9.408 -21.988 27.807 2 HB2 ARG 50 HB2 ARG 50 11.836 -21.519 26.015 3 HG2 ARG 50 HG2 ARG 50 12.684 -23.698 26.815 4 HD2 ARG 50 HD2 ARG 50 9.956 -24.308 25.698 5 HE ARG 50 HE ARG 50 11.591 -26.153 25.853 6 HH11 ARG 50 HH11 ARG 50 11.943 -23.808 23.243 7 HH12 ARG 50 HH12 ARG 50 12.693 -24.943 22.166 8 HH21 ARG 50 HH21 ARG 50 12.549 -27.643 24.398 9 HH22 ARG 50 HH22 ARG 50 13.036 -27.114 22.818 10 H ARG 50 HN ARG 50 9.677 -21.837 24.911 11 HB3 ARG 50 HB1 ARG 50 11.923 -21.606 27.765 12 HG3 ARG 50 HG1 ARG 50 11.170 -23.978 27.683 13 HD3 ARG 50 HD1 ARG 50 11.138 -23.450 24.710 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 51 HA PRO 51 9.308 -17.492 28.634 2 HB2 PRO 51 HB2 PRO 51 11.607 -18.030 30.517 3 HG2 PRO 51 HG2 PRO 51 10.408 -19.615 31.770 4 HD2 PRO 51 HD2 PRO 51 11.023 -20.824 29.861 5 HB3 PRO 51 HB1 PRO 51 10.101 -17.147 30.813 6 HG3 PRO 51 HG1 PRO 51 8.847 -19.125 31.073 7 HD3 PRO 51 HD1 PRO 51 9.256 -21.015 29.774 No H/Q in entry = 7 In of MODEL 8 1 HA ASP 52 HA ASP 52 13.874 -16.572 27.543 2 HB2 ASP 52 HB2 ASP 52 15.880 -17.994 27.317 3 H ASP 52 HN ASP 52 12.566 -18.960 28.441 4 HB3 ASP 52 HB1 ASP 52 15.077 -18.267 28.858 No H/Q in entry = 4 In of MODEL 8 1 HA ASP 53 HA ASP 53 13.120 -18.626 23.236 2 HB2 ASP 53 HB2 ASP 53 10.404 -19.534 24.249 3 H ASP 53 HN ASP 53 12.109 -19.032 25.863 4 HB3 ASP 53 HB1 ASP 53 10.638 -19.208 22.544 No H/Q in entry = 4 In of MODEL 8 1 HA LEU 54 HA LEU 54 9.645 -15.535 22.786 2 HB2 LEU 54 HB2 LEU 54 8.536 -15.665 25.610 3 HG LEU 54 HG LEU 54 8.480 -17.897 24.484 4 HD11 LEU 54 HD11 LEU 54 6.741 -17.297 26.074 5 HD13 LEU 54 HD12 LEU 54 6.104 -18.325 24.795 6 HD12 LEU 54 HD13 LEU 54 5.764 -16.591 24.781 7 HD22 LEU 54 HD21 LEU 54 8.461 -17.197 22.133 8 HD21 LEU 54 HD22 LEU 54 6.850 -16.498 22.323 9 HD23 LEU 54 HD23 LEU 54 7.079 -18.242 22.472 10 H LEU 54 HN LEU 54 10.571 -16.994 25.132 11 HB3 LEU 54 HB1 LEU 54 7.719 -14.957 24.214 No H/Q in entry = 11 In of MODEL 8 1 HA GLN 55 HA GLN 55 11.239 -11.603 23.535 2 HB2 GLN 55 HB2 GLN 55 9.957 -11.323 21.466 3 HG2 GLN 55 HG2 GLN 55 9.293 -8.925 23.191 4 HE21 GLN 55 HE21 GLN 55 10.787 -7.311 21.301 5 HE22 GLN 55 HE22 GLN 55 9.782 -7.131 19.912 6 H GLN 55 HN GLN 55 9.177 -13.356 22.758 7 HB3 GLN 55 HB1 GLN 55 8.474 -11.054 22.374 8 HG3 GLN 55 HG1 GLN 55 10.888 -9.224 22.498 No H/Q in entry = 8 In of MODEL 8 1 HA ALA 56 HA ALA 56 7.779 -9.857 26.540 2 HB3 ALA 56 HB1 ALA 56 5.933 -11.080 27.678 3 HB1 ALA 56 HB2 ALA 56 6.374 -12.557 26.813 4 HB2 ALA 56 HB3 ALA 56 5.771 -11.163 25.922 5 H ALA 56 HN ALA 56 7.894 -11.997 24.738 No H/Q in entry = 5 In of MODEL 8 1 HA THR 57 HA THR 57 9.392 -12.679 29.843 2 HB THR 57 HB THR 57 9.052 -15.201 29.900 3 HG1 THR 57 HG1 THR 57 9.516 -15.326 27.496 4 HG22 THR 57 HG21 THR 57 6.841 -13.523 28.684 5 HG21 THR 57 HG22 THR 57 7.242 -13.613 30.396 6 HG23 THR 57 HG23 THR 57 6.623 -15.041 29.570 7 H THR 57 HN THR 57 9.181 -13.041 26.917 No H/Q in entry = 7 In of MODEL 8 1 HA TYR 58 HA TYR 58 13.444 -14.305 28.059 2 HB2 TYR 58 HB2 TYR 58 13.206 -13.004 25.873 3 HD1 TYR 58 HD1 TYR 58 14.831 -15.176 26.579 4 HD2 TYR 58 HD2 TYR 58 16.067 -11.104 26.197 5 HE1 TYR 58 HE1 TYR 58 17.122 -15.917 26.143 6 HE2 TYR 58 HE2 TYR 58 18.373 -11.855 25.757 7 HH TYR 58 HH TYR 58 19.149 -15.154 25.135 8 H TYR 58 HN TYR 58 11.395 -12.397 27.457 9 HB3 TYR 58 HB1 TYR 58 13.785 -11.578 26.739 No H/Q in entry = 9 In of MODEL 8 1 HA3 GLY 59 HA2 GLY 59 15.263 -13.734 31.984 2 H GLY 59 HN GLY 59 13.888 -14.341 30.187 3 HA2 GLY 59 HA1 GLY 59 15.293 -12.072 31.419 No H/Q in entry = 3 In of MODEL 8 1 HA ALA 60 HA ALA 60 11.347 -11.914 33.800 2 HB3 ALA 60 HB1 ALA 60 9.053 -12.572 33.215 3 HB1 ALA 60 HB2 ALA 60 9.664 -13.714 32.010 4 HB2 ALA 60 HB3 ALA 60 9.914 -11.981 31.792 5 H ALA 60 HN ALA 60 12.175 -13.594 31.538 No H/Q in entry = 5 In of MODEL 8 1 HA THR 61 HA THR 61 11.319 -15.310 36.581 2 HB THR 61 HB THR 61 10.416 -14.507 38.826 3 HG1 THR 61 HG1 THR 61 9.843 -12.234 38.863 4 HG22 THR 61 HG21 THR 61 12.332 -12.589 37.431 5 HG21 THR 61 HG22 THR 61 12.787 -14.099 38.229 6 HG23 THR 61 HG23 THR 61 12.130 -12.766 39.178 7 H THR 61 HN THR 61 10.309 -12.731 35.662 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 62 HA PRO 62 7.601 -17.633 35.843 2 HB2 PRO 62 HB2 PRO 62 7.566 -19.314 38.083 3 HG2 PRO 62 HG2 PRO 62 9.291 -18.272 39.270 4 HD2 PRO 62 HD2 PRO 62 10.833 -16.844 38.243 5 HB3 PRO 62 HB1 PRO 62 8.565 -19.566 36.646 6 HG3 PRO 62 HG1 PRO 62 10.218 -19.443 38.307 7 HD3 PRO 62 HD1 PRO 62 10.895 -17.810 36.750 No H/Q in entry = 7 In of MODEL 8 1 HA GLU 63 HA GLU 63 5.229 -16.163 39.841 2 HB2 GLU 63 HB2 GLU 63 5.695 -14.182 41.213 3 HG2 GLU 63 HG2 GLU 63 8.147 -13.815 39.469 4 H GLU 63 HN GLU 63 7.869 -15.864 38.853 5 HB3 GLU 63 HB1 GLU 63 7.070 -15.282 41.218 6 HG3 GLU 63 HG1 GLU 63 6.820 -12.677 39.688 No H/Q in entry = 6 In of MODEL 8 1 HA GLN 64 HA GLN 64 4.356 -12.284 37.120 2 HB2 GLN 64 HB2 GLN 64 6.847 -12.680 35.415 3 HG2 GLN 64 HG2 GLN 64 6.330 -10.530 37.488 4 HE21 GLN 64 HE21 GLN 64 8.535 -11.940 35.105 5 HE22 GLN 64 HE22 GLN 64 9.613 -10.593 35.049 6 H GLN 64 HN GLN 64 6.647 -13.989 37.493 7 HB3 GLN 64 HB1 GLN 64 5.712 -11.334 35.281 8 HG3 GLN 64 HG1 GLN 64 7.350 -11.939 37.765 No H/Q in entry = 8 In of MODEL 8 1 HA LEU 65 HA LEU 65 3.712 -15.345 33.510 2 HB2 LEU 65 HB2 LEU 65 5.547 -17.570 34.567 3 HG LEU 65 HG LEU 65 7.053 -15.685 34.409 4 HD12 LEU 65 HD11 LEU 65 7.315 -17.355 31.894 5 HD11 LEU 65 HD12 LEU 65 7.915 -17.772 33.502 6 HD13 LEU 65 HD13 LEU 65 8.588 -16.389 32.648 7 HD21 LEU 65 HD21 LEU 65 5.814 -15.083 31.702 8 HD23 LEU 65 HD22 LEU 65 7.256 -14.299 32.363 9 HD22 LEU 65 HD23 LEU 65 5.707 -14.109 33.172 10 H LEU 65 HN LEU 65 5.333 -15.351 36.013 11 HB3 LEU 65 HB1 LEU 65 4.965 -17.322 32.921 No H/Q in entry = 11 In of MODEL 8 1 HA ARG 66 HA ARG 66 1.120 -17.935 36.381 2 HB2 ARG 66 HB2 ARG 66 1.438 -15.996 38.721 3 HG2 ARG 66 HG2 ARG 66 2.646 -18.771 38.645 4 HD2 ARG 66 HD2 ARG 66 1.957 -18.045 40.891 5 HE ARG 66 HE ARG 66 2.425 -15.478 40.134 6 HH11 ARG 66 HH11 ARG 66 3.792 -17.345 42.780 7 HH12 ARG 66 HH12 ARG 66 3.992 -15.952 43.793 8 HH21 ARG 66 HH21 ARG 66 2.678 -13.697 41.441 9 HH22 ARG 66 HH22 ARG 66 3.365 -13.870 43.031 10 H ARG 66 HN ARG 66 3.125 -15.802 36.714 11 HB3 ARG 66 HB1 ARG 66 0.560 -17.527 38.714 12 HG3 ARG 66 HG1 ARG 66 3.569 -17.280 38.423 13 HD3 ARG 66 HD1 ARG 66 3.720 -17.993 40.758 No H/Q in entry = 13 In of MODEL 8 1 HA GLU 67 HA GLU 67 -1.392 -13.918 36.700 2 HB2 GLU 67 HB2 GLU 67 -0.535 -11.497 37.270 3 HG2 GLU 67 HG2 GLU 67 1.920 -13.121 37.996 4 H GLU 67 HN GLU 67 1.426 -14.488 37.042 5 HB3 GLU 67 HB1 GLU 67 -0.542 -12.725 38.528 6 HG3 GLU 67 HG1 GLU 67 1.856 -11.680 36.991 No H/Q in entry = 6 In of MODEL 8 1 HA ILE 68 HA ILE 68 -0.607 -12.748 32.483 2 HB ILE 68 HB ILE 68 -1.230 -15.733 32.673 3 HD12 ILE 68 HD11 ILE 68 2.401 -16.509 32.059 4 HD11 ILE 68 HD12 ILE 68 1.095 -16.650 30.883 5 HD13 ILE 68 HD13 ILE 68 0.873 -17.239 32.539 6 H ILE 68 HN ILE 68 -1.830 -14.293 34.686 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 69 HA GLU 69 -4.886 -12.975 31.091 2 HB2 GLU 69 HB2 GLU 69 -4.647 -10.661 32.184 3 HG2 GLU 69 HG2 GLU 69 -6.366 -10.659 29.684 4 H GLU 69 HN GLU 69 -2.120 -11.897 31.055 5 HB3 GLU 69 HB1 GLU 69 -4.180 -10.033 30.605 6 HG3 GLU 69 HG1 GLU 69 -6.824 -11.407 31.214 No H/Q in entry = 6 In of MODEL 8 1 HA ILE 70 HA ILE 70 -4.326 -13.354 26.706 2 HB ILE 70 HB ILE 70 -7.302 -12.652 26.808 3 HD13 ILE 70 HD11 ILE 70 -5.893 -16.664 27.379 4 HD12 ILE 70 HD12 ILE 70 -4.700 -15.371 27.293 5 HD11 ILE 70 HD13 ILE 70 -5.537 -15.902 25.830 6 H ILE 70 HN ILE 70 -6.000 -12.632 28.937 No H/Q in entry = 6 In of MODEL 8 1 HA SER 71 HA SER 71 -3.327 -9.527 24.734 2 HB2 SER 71 HB2 SER 71 -4.547 -11.087 22.428 3 HG SER 71 HG SER 71 -1.927 -10.437 23.245 4 H SER 71 HN SER 71 -4.208 -12.127 24.618 5 HB3 SER 71 HB1 SER 71 -3.893 -9.463 22.201 No H/Q in entry = 5 In of MODEL 8 1 HA PRO 72 HA PRO 72 -7.062 -6.916 24.874 2 HB2 PRO 72 HB2 PRO 72 -6.069 -4.626 23.718 3 HG2 PRO 72 HG2 PRO 72 -4.063 -5.540 22.868 4 HD2 PRO 72 HD2 PRO 72 -3.132 -7.490 23.762 5 HB3 PRO 72 HB1 PRO 72 -5.690 -5.112 25.379 6 HG3 PRO 72 HG1 PRO 72 -3.532 -4.922 24.449 7 HD3 PRO 72 HD1 PRO 72 -3.547 -7.050 25.433 No H/Q in entry = 7 In of MODEL 8 1 HA SER 73 HA SER 73 -7.497 -7.073 20.104 2 HB2 SER 73 HB2 SER 73 -4.995 -8.777 19.695 3 HG SER 73 HG SER 73 -4.232 -6.786 19.761 4 H SER 73 HN SER 73 -5.308 -7.657 21.905 5 HB3 SER 73 HB1 SER 73 -6.129 -8.326 18.421 No H/Q in entry = 5 In of MODEL 8 1 HA3 GLY 74 HA2 GLY 74 -7.769 -11.610 22.747 2 H GLY 74 HN GLY 74 -6.532 -9.745 22.117 3 HA2 GLY 74 HA1 GLY 74 -8.901 -11.315 21.441 No H/Q in entry = 3 In of MODEL 8 1 HA LEU 75 HA LEU 75 -5.932 -13.691 18.847 2 HB2 LEU 75 HB2 LEU 75 -3.882 -11.462 18.895 3 HG LEU 75 HG LEU 75 -5.831 -11.119 17.369 4 HD11 LEU 75 HD11 LEU 75 -3.194 -11.602 15.935 5 HD13 LEU 75 HD12 LEU 75 -3.669 -10.128 16.784 6 HD12 LEU 75 HD13 LEU 75 -4.536 -10.620 15.332 7 HD22 LEU 75 HD21 LEU 75 -6.118 -12.583 15.407 8 HD21 LEU 75 HD22 LEU 75 -6.372 -13.469 16.905 9 HD23 LEU 75 HD23 LEU 75 -4.859 -13.665 16.013 10 H LEU 75 HN LEU 75 -5.825 -11.147 20.156 11 HB3 LEU 75 HB1 LEU 75 -3.530 -12.983 18.087 No H/Q in entry = 11 In of MODEL 8 1 HA3 GLY 76 HA2 GLY 76 -2.480 -15.187 21.499 2 H GLY 76 HN GLY 76 -3.118 -12.418 20.676 3 HA2 GLY 76 HA1 GLY 76 -1.346 -13.839 21.371 No H/Q in entry = 3 In of MODEL 8 1 HA VAL 77 HA VAL 77 -2.499 -13.169 25.571 2 HB VAL 77 HB VAL 77 -0.615 -15.075 25.346 3 H VAL 77 HN VAL 77 -0.715 -13.054 23.233 No H/Q in entry = 3 In of MODEL 8 1 HA TYR 78 HA TYR 78 0.103 -9.632 26.673 2 HB2 TYR 78 HB2 TYR 78 -2.079 -8.650 25.975 3 HD1 TYR 78 HD1 TYR 78 -2.617 -7.435 29.307 4 HD2 TYR 78 HD2 TYR 78 -0.018 -7.029 25.938 5 HE1 TYR 78 HE1 TYR 78 -1.868 -5.261 30.154 6 HE2 TYR 78 HE2 TYR 78 0.731 -4.850 26.784 7 HH TYR 78 HH TYR 78 -0.008 -3.738 29.951 8 H TYR 78 HN TYR 78 -1.953 -11.656 27.200 9 HB3 TYR 78 HB1 TYR 78 -2.763 -9.033 27.551 No H/Q in entry = 9 In of MODEL 8 1 HA PHE 79 HA PHE 79 0.622 -11.005 30.912 2 HB2 PHE 79 HB2 PHE 79 3.436 -10.356 29.911 3 HD1 PHE 79 HD1 PHE 79 0.830 -12.868 30.054 4 HD2 PHE 79 HD2 PHE 79 4.837 -12.261 29.368 5 HE1 PHE 79 HE1 PHE 79 0.988 -15.055 28.983 6 HE2 PHE 79 HE2 PHE 79 4.979 -14.463 28.297 7 HZ PHE 79 HZ PHE 79 3.064 -15.873 28.111 8 H PHE 79 HN PHE 79 1.478 -10.271 28.248 9 HB3 PHE 79 HB1 PHE 79 3.035 -11.113 31.450 No H/Q in entry = 9 In of MODEL 8 1 HA GLU 80 HA GLU 80 -0.129 -6.695 31.549 2 HB2 GLU 80 HB2 GLU 80 -2.153 -7.784 32.476 3 HG2 GLU 80 HG2 GLU 80 -1.013 -5.750 34.414 4 H GLU 80 HN GLU 80 -0.300 -9.481 32.005 5 HB3 GLU 80 HB1 GLU 80 -1.279 -8.187 33.952 6 HG3 GLU 80 HG1 GLU 80 -1.967 -5.397 32.975 No H/Q in entry = 6 In of MODEL 8 1 HA THR 81 HA THR 81 2.517 -6.987 35.677 2 HB THR 81 HB THR 81 3.710 -9.681 34.901 3 HG1 THR 81 HG1 THR 81 1.793 -9.501 36.920 4 HG22 THR 81 HG21 THR 81 4.278 -9.814 37.309 5 HG21 THR 81 HG22 THR 81 3.603 -8.203 37.564 6 HG23 THR 81 HG23 THR 81 5.041 -8.408 36.556 7 H THR 81 HN THR 81 1.342 -8.823 33.923 No H/Q in entry = 7 In of MODEL 8 1 HA LEU 82 HA LEU 82 6.223 -6.967 32.679 2 HB2 LEU 82 HB2 LEU 82 5.090 -8.570 30.353 3 HG LEU 82 HG LEU 82 4.959 -10.200 32.113 4 HD11 LEU 82 HD11 LEU 82 5.935 -10.976 30.017 5 HD13 LEU 82 HD12 LEU 82 6.583 -11.863 31.392 6 HD12 LEU 82 HD13 LEU 82 7.558 -10.614 30.608 7 HD21 LEU 82 HD21 LEU 82 6.255 -9.110 33.848 8 HD23 LEU 82 HD22 LEU 82 7.758 -9.420 32.972 9 HD22 LEU 82 HD23 LEU 82 6.802 -10.766 33.602 10 H LEU 82 HN LEU 82 3.645 -8.357 32.609 11 HB3 LEU 82 HB1 LEU 82 6.778 -8.210 30.704 No H/Q in entry = 11 In of MODEL 8 1 HA GLU 83 HA GLU 83 1.938 -5.182 30.097 2 HB2 GLU 83 HB2 GLU 83 4.259 -3.284 30.608 3 HG2 GLU 83 HG2 GLU 83 1.430 -3.320 31.709 4 H GLU 83 HN GLU 83 3.047 -6.364 31.665 5 HB3 GLU 83 HB1 GLU 83 2.808 -2.841 29.705 6 HG3 GLU 83 HG1 GLU 83 2.899 -3.717 32.611 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 84 HA GLU 84 4.193 -6.159 26.365 2 HB2 GLU 84 HB2 GLU 84 6.239 -6.760 27.732 3 HG2 GLU 84 HG2 GLU 84 7.410 -8.115 26.134 4 H GLU 84 HN GLU 84 3.419 -7.211 29.021 5 HB3 GLU 84 HB1 GLU 84 5.648 -8.405 27.845 6 HG3 GLU 84 HG1 GLU 84 5.905 -8.752 25.479 No H/Q in entry = 6 In of MODEL 8 1 HA ASP 85 HA ASP 85 1.544 -9.449 25.144 2 HB2 ASP 85 HB2 ASP 85 0.978 -7.183 24.131 3 H ASP 85 HN ASP 85 3.767 -7.543 24.648 4 HB3 ASP 85 HB1 ASP 85 2.011 -7.563 22.766 No H/Q in entry = 4 In of MODEL 8 1 HA VAL 86 HA VAL 86 3.998 -11.961 22.329 2 HB VAL 86 HB VAL 86 2.574 -14.135 23.973 3 H VAL 86 HN VAL 86 1.835 -11.497 24.311 No H/Q in entry = 3 In of MODEL 8 1 HA SER 87 HA SER 87 0.508 -12.008 19.574 2 HB2 SER 87 HB2 SER 87 2.162 -10.757 18.252 3 HG SER 87 HG SER 87 1.458 -11.389 16.252 4 H SER 87 HN SER 87 3.191 -11.813 20.343 5 HB3 SER 87 HB1 SER 87 3.018 -12.249 17.861 No H/Q in entry = 5 In of MODEL 8 1 HA LEU 88 HA LEU 88 -0.019 -16.385 19.419 2 HB2 LEU 88 HB2 LEU 88 -2.392 -15.340 19.494 3 HG LEU 88 HG LEU 88 -2.026 -17.984 18.042 4 HD11 LEU 88 HD11 LEU 88 -0.914 -17.919 20.231 5 HD13 LEU 88 HD12 LEU 88 -2.305 -18.988 20.261 6 HD12 LEU 88 HD13 LEU 88 -2.416 -17.390 20.998 7 HD22 LEU 88 HD21 LEU 88 -4.320 -18.506 18.751 8 HD21 LEU 88 HD22 LEU 88 -4.290 -17.106 17.686 9 HD23 LEU 88 HD23 LEU 88 -4.498 -16.885 19.424 10 H LEU 88 HN LEU 88 -0.772 -13.693 19.113 11 HB3 LEU 88 HB1 LEU 88 -2.400 -15.512 17.753 No H/Q in entry = 11 In of MODEL 8 1 HA ILE 89 HA ILE 89 -0.169 -16.170 14.539 2 HB ILE 89 HB ILE 89 0.980 -13.333 14.498 3 HD12 ILE 89 HD11 ILE 89 -2.269 -15.299 14.691 4 HD11 ILE 89 HD12 ILE 89 -2.265 -14.746 13.012 5 HD13 ILE 89 HD13 ILE 89 -3.260 -13.923 14.209 6 H ILE 89 HN ILE 89 -0.282 -14.314 16.639 No H/Q in entry = 6 In of MODEL 8 1 HA3 GLY 90 HA2 GLY 90 4.655 -15.424 15.068 2 H GLY 90 HN GLY 90 2.357 -14.369 16.262 3 HA2 GLY 90 HA1 GLY 90 4.544 -14.821 16.716 No H/Q in entry = 3 In of MODEL 8 1 HA LEU 91 HA LEU 91 4.497 -18.746 18.636 2 HB2 LEU 91 HB2 LEU 91 1.507 -18.371 19.037 3 HG LEU 91 HG LEU 91 2.933 -16.631 20.187 4 HD11 LEU 91 HD11 LEU 91 0.739 -17.217 21.086 5 HD13 LEU 91 HD12 LEU 91 1.865 -16.851 22.390 6 HD12 LEU 91 HD13 LEU 91 1.448 -18.531 22.032 7 HD23 LEU 91 HD21 LEU 91 4.330 -17.321 22.105 8 HD22 LEU 91 HD22 LEU 91 4.942 -17.972 20.589 9 HD21 LEU 91 HD23 LEU 91 4.055 -19.018 21.702 10 H LEU 91 HN LEU 91 2.777 -16.632 17.865 11 HB3 LEU 91 HB1 LEU 91 2.448 -19.622 19.842 No H/Q in entry = 11 In of MODEL 8 1 HA LEU 92 HA LEU 92 1.691 -21.414 15.760 2 HB2 LEU 92 HB2 LEU 92 0.623 -18.980 14.269 3 HG LEU 92 HG LEU 92 -0.423 -19.403 16.566 4 HD11 LEU 92 HD11 LEU 92 -1.617 -18.136 14.862 5 HD13 LEU 92 HD12 LEU 92 -2.737 -19.122 15.798 6 HD12 LEU 92 HD13 LEU 92 -2.274 -19.624 14.168 7 HD22 LEU 92 HD21 LEU 92 -1.972 -21.315 16.801 8 HD21 LEU 92 HD22 LEU 92 -0.307 -21.852 16.599 9 HD23 LEU 92 HD23 LEU 92 -1.438 -21.954 15.244 10 H LEU 92 HN LEU 92 1.853 -18.590 16.319 11 HB3 LEU 92 HB1 LEU 92 0.224 -20.643 13.856 No H/Q in entry = 11 In of MODEL 8 1 HA GLU 93 HA GLU 93 4.414 -20.097 12.116 2 HB2 GLU 93 HB2 GLU 93 4.745 -17.195 13.014 3 HG2 GLU 93 HG2 GLU 93 2.464 -17.592 12.254 4 H GLU 93 HN GLU 93 3.431 -18.651 14.477 5 HB3 GLU 93 HB1 GLU 93 5.395 -17.858 11.516 6 HG3 GLU 93 HG1 GLU 93 3.349 -16.613 11.087 No H/Q in entry = 6 In of MODEL 8 1 HA3 GLY 94 HA2 GLY 94 7.320 -20.760 16.297 2 H GLY 94 HN GLY 94 5.371 -19.959 15.299 3 HA2 GLY 94 HA1 GLY 94 8.084 -20.832 14.719 No H/Q in entry = 3 In of MODEL 8 1 HA ARG 95 HA ARG 95 9.338 -16.448 15.358 2 HB2 ARG 95 HB2 ARG 95 6.639 -15.813 14.286 3 HG2 ARG 95 HG2 ARG 95 7.722 -14.358 12.759 4 HD2 ARG 95 HD2 ARG 95 9.691 -15.582 11.875 5 HE ARG 95 HE ARG 95 7.718 -17.643 12.600 6 HH11 ARG 95 HH11 ARG 95 8.767 -15.300 10.200 7 HH12 ARG 95 HH12 ARG 95 8.035 -16.151 8.881 8 HH21 ARG 95 HH21 ARG 95 6.794 -18.756 10.823 9 HH22 ARG 95 HH22 ARG 95 6.938 -18.084 9.230 10 H ARG 95 HN ARG 95 6.884 -17.826 14.844 11 HB3 ARG 95 HB1 ARG 95 7.300 -14.502 15.242 12 HG3 ARG 95 HG1 ARG 95 9.148 -14.210 13.781 13 HD3 ARG 95 HD1 ARG 95 9.700 -16.586 13.317 No H/Q in entry = 13 In of MODEL 8 1 HA ARG 96 HA ARG 96 8.470 -16.320 19.710 2 HB2 ARG 96 HB2 ARG 96 11.406 -15.783 19.147 3 HG2 ARG 96 HG2 ARG 96 10.179 -18.134 20.613 4 HD2 ARG 96 HD2 ARG 96 12.703 -18.114 18.952 5 HE ARG 96 HE ARG 96 12.628 -19.878 21.158 6 HH11 ARG 96 HH11 ARG 96 11.271 -19.621 17.900 7 HH12 ARG 96 HH12 ARG 96 10.937 -21.314 17.794 8 HH21 ARG 96 HH21 ARG 96 12.159 -22.065 20.995 9 HH22 ARG 96 HH22 ARG 96 11.451 -22.705 19.544 10 H ARG 96 HN ARG 96 10.066 -16.039 17.319 11 HB3 ARG 96 HB1 ARG 96 10.774 -15.845 20.796 12 HG3 ARG 96 HG1 ARG 96 10.325 -18.130 18.854 13 HD3 ARG 96 HD1 ARG 96 12.710 -17.676 20.662 No H/Q in entry = 13 In of MODEL 8 1 HA3 GLY 97 HA2 GLY 97 7.710 -11.864 18.987 2 H GLY 97 HN GLY 97 9.356 -13.746 17.706 3 HA2 GLY 97 HA1 GLY 97 9.393 -11.508 19.398 No H/Q in entry = 3 In of MODEL 8 1 HA SER 98 HA SER 98 9.038 -9.537 15.365 2 HB2 SER 98 HB2 SER 98 10.297 -7.350 15.516 3 HG SER 98 HG SER 98 10.610 -6.765 17.875 4 H SER 98 HN SER 98 9.632 -9.662 18.187 5 HB3 SER 98 HB1 SER 98 8.971 -7.476 16.669 No H/Q in entry = 5 In of MODEL 8 1 HA ALA 99 HA ALA 99 12.785 -11.273 13.737 2 HB2 ALA 99 HB1 ALA 99 13.364 -10.369 11.508 3 HB3 ALA 99 HB2 ALA 99 12.270 -9.007 11.770 4 HB1 ALA 99 HB3 ALA 99 11.625 -10.644 11.647 5 H ALA 99 HN ALA 99 10.598 -9.489 13.670 No H/Q in entry = 5 In of MODEL 8 1 HA LYS 100 HA LYS 100 15.197 -6.978 14.447 2 HB2 LYS 100 HB2 LYS 100 13.132 -5.534 14.545 3 HG2 LYS 100 HG2 LYS 100 13.778 -3.936 16.340 4 HD2 LYS 100 HD2 LYS 100 16.312 -4.829 14.928 5 HE2 LYS 100 HE2 LYS 100 16.682 -2.415 14.646 6 HZ1 LYS 100 HZ1 LYS 100 16.071 -3.162 17.444 7 HZ3 LYS 100 HZ2 LYS 100 16.955 -1.802 16.977 8 HZ2 LYS 100 HZ3 LYS 100 17.549 -3.349 16.651 9 H LYS 100 HN LYS 100 12.544 -7.833 14.278 10 HB3 LYS 100 HB1 LYS 100 12.825 -6.119 16.170 11 HG3 LYS 100 HG1 LYS 100 14.995 -5.086 16.904 12 HD3 LYS 100 HD1 LYS 100 14.988 -4.075 14.036 13 HE3 LYS 100 HE1 LYS 100 15.156 -2.071 15.461 No H/Q in entry = 13 In of MODEL 8 1 HA TRP 101 HA TRP 101 14.937 -8.054 19.163 2 HB2 TRP 101 HB2 TRP 101 12.511 -8.080 19.635 3 HD1 TRP 101 HD1 TRP 101 13.763 -7.860 22.062 4 HE1 TRP 101 HE1 TRP 101 14.177 -9.587 23.924 5 HE3 TRP 101 HE3 TRP 101 12.754 -12.151 19.465 6 HZ2 TRP 101 HZ2 TRP 101 14.097 -12.378 24.240 7 HZ3 TRP 101 HZ3 TRP 101 12.945 -14.311 20.623 8 HH2 TRP 101 HH2 TRP 101 13.603 -14.422 22.977 9 H TRP 101 HN TRP 101 13.045 -8.043 17.102 10 HB3 TRP 101 HB1 TRP 101 12.371 -9.701 18.957 No H/Q in entry = 10 In of MODEL 8 1 HA MET 102 HA MET 102 15.332 -12.776 18.402 2 HB2 MET 102 HB2 MET 102 14.058 -12.745 15.640 3 HG2 MET 102 HG2 MET 102 13.169 -14.058 18.220 4 HE1 MET 102 HE1 MET 102 12.544 -13.546 14.338 5 HE3 MET 102 HE2 MET 102 11.098 -12.861 15.084 6 HE2 MET 102 HE3 MET 102 10.990 -14.357 14.155 7 H MET 102 HN MET 102 13.839 -10.749 17.079 8 HB3 MET 102 HB1 MET 102 14.799 -14.174 16.351 9 HG3 MET 102 HG1 MET 102 12.393 -12.682 17.436 No H/Q in entry = 9 In of MODEL 8 1 HA ALA 103 HA ALA 103 18.511 -11.954 14.935 2 HB1 ALA 103 HB1 ALA 103 17.709 -9.059 14.464 3 HB3 ALA 103 HB2 ALA 103 17.261 -10.430 13.452 4 HB2 ALA 103 HB3 ALA 103 18.955 -9.951 13.576 5 H ALA 103 HN ALA 103 16.231 -10.455 15.940 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 104 HA GLU 104 20.737 -8.896 17.793 2 HB2 GLU 104 HB2 GLU 104 18.340 -7.596 19.166 3 HG2 GLU 104 HG2 GLU 104 19.748 -6.714 16.644 4 H GLU 104 HN GLU 104 17.872 -9.423 17.306 5 HB3 GLU 104 HB1 GLU 104 20.003 -7.005 19.113 6 HG3 GLU 104 HG1 GLU 104 18.065 -7.178 16.797 No H/Q in entry = 6 In of MODEL 8 1 HA HIS 105 HA HIS 105 19.648 -11.430 21.515 2 HB2 HIS 105 HB2 HIS 105 16.592 -11.333 21.375 3 HD1 HIS 105 HD1 HIS 105 18.058 -9.778 24.306 4 HD2 HIS 105 HD2 HIS 105 16.820 -8.526 20.543 5 HE1 HIS 105 HE1 HIS 105 17.767 -7.289 24.479 6 HE2 HIS 105 HE2 HIS 105 17.017 -6.548 22.189 7 H HIS 105 HN HIS 105 18.096 -10.680 19.102 8 HB3 HIS 105 HB1 HIS 105 17.571 -11.702 22.789 No H/Q in entry = 8 In of MODEL 8 1 HA PRO 106 HA PRO 106 19.034 -15.159 18.768 2 HB2 PRO 106 HB2 PRO 106 21.367 -16.428 19.558 3 HG2 PRO 106 HG2 PRO 106 22.053 -14.850 21.163 4 HD2 PRO 106 HD2 PRO 106 21.271 -12.632 21.133 5 HB3 PRO 106 HB1 PRO 106 21.305 -15.225 18.263 6 HG3 PRO 106 HG1 PRO 106 22.887 -14.250 19.711 7 HD3 PRO 106 HD1 PRO 106 21.319 -12.535 19.359 No H/Q in entry = 7 In of MODEL 8 1 HA LEU 107 HA LEU 107 17.701 -17.807 22.058 2 HB2 LEU 107 HB2 LEU 107 16.189 -18.294 20.123 3 HG LEU 107 HG LEU 107 17.001 -20.831 21.610 4 HD13 LEU 107 HD11 LEU 107 15.092 -20.347 23.075 5 HD12 LEU 107 HD12 LEU 107 14.792 -18.843 22.205 6 HD11 LEU 107 HD13 LEU 107 16.284 -19.049 23.125 7 HD23 LEU 107 HD21 LEU 107 14.772 -21.710 21.019 8 HD22 LEU 107 HD22 LEU 107 15.772 -21.441 19.591 9 HD21 LEU 107 HD23 LEU 107 14.486 -20.298 19.998 10 H LEU 107 HN LEU 107 18.630 -17.337 19.315 11 HB3 LEU 107 HB1 LEU 107 17.348 -19.468 19.519 No H/Q in entry = 11 In of MODEL 8 1 HA ALA 108 HA ALA 108 21.055 -20.614 22.939 2 HB2 ALA 108 HB1 ALA 108 20.158 -20.167 25.194 3 HB1 ALA 108 HB2 ALA 108 20.606 -21.863 25.030 4 HB3 ALA 108 HB3 ALA 108 18.905 -21.390 24.958 5 H ALA 108 HN ALA 108 18.413 -19.553 23.322 No H/Q in entry = 5 In of MODEL 8 1 HA SER 109 HA SER 109 20.117 -24.388 20.845 2 HB2 SER 109 HB2 SER 109 18.532 -24.013 18.840 3 HG SER 109 HG SER 109 18.946 -21.374 19.681 4 H SER 109 HN SER 109 20.996 -21.684 20.964 5 HB3 SER 109 HB1 SER 109 17.910 -23.531 20.417 No H/Q in entry = 5 In of MODEL 9 1 H1 MET 1 HT1 MET 1 -9.183 -6.780 -1.836 2 H2 MET 1 HT3 MET 1 -8.585 -6.778 -3.419 3 H3 MET 1 HT2 MET 1 -7.556 -7.135 -2.124 4 HB3 MET 1 HB1 MET 1 -8.920 -3.204 -2.688 5 HG3 MET 1 HG1 MET 1 -10.390 -3.801 -4.529 6 HA MET 1 HA MET 1 -7.143 -4.929 -2.884 7 HB2 MET 1 HB2 MET 1 -10.074 -4.439 -2.190 8 HG2 MET 1 HG2 MET 1 -9.923 -5.501 -4.396 9 HE3 MET 1 HE1 MET 1 -8.171 -4.427 -7.762 10 HE2 MET 1 HE2 MET 1 -9.740 -3.866 -7.182 11 HE1 MET 1 HE3 MET 1 -9.288 -5.562 -7.003 No H/Q in entry = 11 In of MODEL 9 1 HA GLU 2 HA GLU 2 -6.905 -3.849 1.438 2 HB2 GLU 2 HB2 GLU 2 -4.792 -4.804 2.406 3 HG2 GLU 2 HG2 GLU 2 -3.399 -4.739 0.258 4 H GLU 2 HN GLU 2 -5.865 -4.254 -1.283 5 HB3 GLU 2 HB1 GLU 2 -5.803 -5.999 1.612 6 HG3 GLU 2 HG1 GLU 2 -3.271 -6.180 1.261 No H/Q in entry = 6 In of MODEL 9 1 HA VAL 3 HA VAL 3 -4.280 -0.284 0.884 2 HB VAL 3 HB VAL 3 -6.861 0.824 2.091 3 H VAL 3 HN VAL 3 -6.561 -1.804 2.010 No H/Q in entry = 3 In of MODEL 9 1 HA SER 4 HA SER 4 -3.028 -0.626 5.179 2 HB2 SER 4 HB2 SER 4 -1.185 -1.855 4.060 3 HG SER 4 HG SER 4 -0.656 -1.429 6.136 4 H SER 4 HN SER 4 -2.642 -0.442 2.313 5 HB3 SER 4 HB1 SER 4 -0.466 -0.334 3.540 No H/Q in entry = 5 In of MODEL 9 1 HA ALA 5 HA ALA 5 -2.184 3.623 6.047 2 HB2 ALA 5 HB1 ALA 5 -3.974 5.183 5.413 3 HB1 ALA 5 HB2 ALA 5 -5.072 3.832 5.113 4 HB3 ALA 5 HB3 ALA 5 -3.644 4.051 4.099 5 H ALA 5 HN ALA 5 -3.910 1.262 5.967 No H/Q in entry = 5 In of MODEL 9 1 HA ASN 6 HA ASN 6 -3.420 3.826 10.182 2 HB2 ASN 6 HB2 ASN 6 -3.137 6.053 11.212 3 HD21 ASN 6 HD21 ASN 6 -2.982 8.283 11.124 4 HD22 ASN 6 HD22 ASN 6 -3.326 9.218 9.712 5 H ASN 6 HN ASN 6 -2.749 5.094 7.747 6 HB3 ASN 6 HB1 ASN 6 -1.843 5.711 10.075 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 7 HA GLU 7 -7.541 6.282 9.794 2 HB2 GLU 7 HB2 GLU 7 -8.562 7.353 7.757 3 HG2 GLU 7 HG2 GLU 7 -5.851 6.886 6.473 4 H GLU 7 HN GLU 7 -5.205 6.090 8.151 5 HB3 GLU 7 HB1 GLU 7 -7.041 8.089 8.253 6 HG3 GLU 7 HG1 GLU 7 -7.341 6.081 5.996 No H/Q in entry = 6 In of MODEL 9 1 HA LEU 8 HA LEU 8 -9.008 2.842 6.792 2 HB2 LEU 8 HB2 LEU 8 -6.213 2.475 5.772 3 HG LEU 8 HG LEU 8 -7.252 2.163 3.588 4 HD13 LEU 8 HD11 LEU 8 -9.654 2.229 3.233 5 HD12 LEU 8 HD12 LEU 8 -9.943 2.345 4.970 6 HD11 LEU 8 HD13 LEU 8 -9.216 0.886 4.289 7 HD22 LEU 8 HD21 LEU 8 -8.269 4.362 3.253 8 HD21 LEU 8 HD22 LEU 8 -6.853 4.472 4.294 9 HD23 LEU 8 HD23 LEU 8 -8.470 4.562 4.998 10 H LEU 8 HN LEU 8 -6.481 4.152 7.198 11 HB3 LEU 8 HB1 LEU 8 -7.217 1.044 5.758 No H/Q in entry = 11 In of MODEL 9 1 HA GLU 9 HA GLU 9 -6.280 1.297 11.010 2 HB2 GLU 9 HB2 GLU 9 -8.204 0.490 12.302 3 HG2 GLU 9 HG2 GLU 9 -9.998 1.224 9.982 4 H GLU 9 HN GLU 9 -6.825 2.718 9.328 5 HB3 GLU 9 HB1 GLU 9 -8.529 2.104 11.680 6 HG3 GLU 9 HG1 GLU 9 -9.550 -0.436 10.382 No H/Q in entry = 6 In of MODEL 9 1 HA ALA 10 HA ALA 10 -6.585 -2.271 7.924 2 HB3 ALA 10 HB1 ALA 10 -4.474 -2.618 6.724 3 HB2 ALA 10 HB2 ALA 10 -3.715 -1.332 7.670 4 HB1 ALA 10 HB3 ALA 10 -5.044 -0.953 6.573 5 H ALA 10 HN ALA 10 -5.444 0.151 8.775 No H/Q in entry = 5 In of MODEL 9 1 HA ALA 11 HA ALA 11 -3.455 -4.182 11.171 2 HB1 ALA 11 HB1 ALA 11 -3.867 -1.805 13.017 3 HB2 ALA 11 HB2 ALA 11 -2.417 -2.133 12.070 4 HB3 ALA 11 HB3 ALA 11 -2.884 -3.235 13.365 5 H ALA 11 HN ALA 11 -4.317 -1.580 10.512 No H/Q in entry = 5 In of MODEL 9 1 HA SER 12 HA SER 12 -7.339 -4.215 14.118 2 HB2 SER 12 HB2 SER 12 -8.926 -2.116 12.582 3 HG SER 12 HG SER 12 -8.255 -0.642 13.990 4 H SER 12 HN SER 12 -6.295 -2.305 12.278 5 HB3 SER 12 HB1 SER 12 -9.334 -2.842 14.137 No H/Q in entry = 5 In of MODEL 9 1 HA SER 13 HA SER 13 -9.929 -5.483 10.159 2 HB2 SER 13 HB2 SER 13 -9.374 -3.711 8.535 3 HG SER 13 HG SER 13 -9.869 -6.134 7.890 4 H SER 13 HN SER 13 -7.901 -3.590 10.679 5 HB3 SER 13 HB1 SER 13 -7.758 -4.384 8.310 No H/Q in entry = 5 In of MODEL 9 1 HA ARG 14 HA ARG 14 -6.107 -8.376 9.320 2 HB2 ARG 14 HB2 ARG 14 -4.302 -6.563 10.950 3 HG2 ARG 14 HG2 ARG 14 -4.629 -6.380 8.318 4 HD2 ARG 14 HD2 ARG 14 -3.012 -7.624 7.025 5 HE ARG 14 HE ARG 14 -4.265 -9.844 8.466 6 HH11 ARG 14 HH11 ARG 14 -4.658 -7.505 5.856 7 HH12 ARG 14 HH12 ARG 14 -5.680 -8.554 4.926 8 HH21 ARG 14 HH21 ARG 14 -5.595 -11.202 7.208 9 HH22 ARG 14 HH22 ARG 14 -6.200 -10.637 5.687 10 H ARG 14 HN ARG 14 -6.378 -5.694 10.154 11 HB3 ARG 14 HB1 ARG 14 -3.840 -8.218 10.572 12 HG3 ARG 14 HG1 ARG 14 -3.045 -6.190 9.066 13 HD3 ARG 14 HD1 ARG 14 -2.408 -8.436 8.460 No H/Q in entry = 13 In of MODEL 9 1 HA MET 15 HA MET 15 -6.081 -9.245 14.140 2 HB2 MET 15 HB2 MET 15 -7.997 -6.957 14.773 3 HG2 MET 15 HG2 MET 15 -5.733 -6.060 14.485 4 HE2 MET 15 HE1 MET 15 -2.589 -8.201 14.602 5 HE1 MET 15 HE2 MET 15 -3.325 -6.743 13.938 6 HE3 MET 15 HE3 MET 15 -4.096 -8.311 13.693 7 H MET 15 HN MET 15 -6.512 -6.940 12.581 8 HB3 MET 15 HB1 MET 15 -7.392 -8.136 15.932 9 HG3 MET 15 HG1 MET 15 -6.278 -5.968 16.151 No H/Q in entry = 9 In of MODEL 9 1 HA GLU 16 HA GLU 16 -10.952 -9.818 13.605 2 HB2 GLU 16 HB2 GLU 16 -11.650 -7.711 12.635 3 HG2 GLU 16 HG2 GLU 16 -13.226 -8.250 10.870 4 H GLU 16 HN GLU 16 -9.083 -7.905 12.812 5 HB3 GLU 16 HB1 GLU 16 -10.798 -8.046 11.137 6 HG3 GLU 16 HG1 GLU 16 -12.398 -9.772 10.545 No H/Q in entry = 6 In of MODEL 9 1 HA MET 17 HA MET 17 -9.985 -12.015 9.380 2 HB2 MET 17 HB2 MET 17 -7.289 -10.637 9.042 3 HG2 MET 17 HG2 MET 17 -9.158 -9.236 8.309 4 HE2 MET 17 HE1 MET 17 -10.107 -9.107 5.213 5 HE1 MET 17 HE2 MET 17 -11.054 -8.489 6.568 6 HE3 MET 17 HE3 MET 17 -11.793 -9.591 5.406 7 H MET 17 HN MET 17 -9.017 -9.672 10.597 8 HB3 MET 17 HB1 MET 17 -7.862 -11.949 8.013 9 HG3 MET 17 HG1 MET 17 -8.183 -9.785 6.946 No H/Q in entry = 9 In of MODEL 9 1 HA LEU 18 HA LEU 18 -6.110 -14.117 11.337 2 HB2 LEU 18 HB2 LEU 18 -5.790 -11.977 13.463 3 HG LEU 18 HG LEU 18 -4.895 -11.333 11.197 4 HD13 LEU 18 HD11 LEU 18 -2.681 -10.605 11.957 5 HD12 LEU 18 HD12 LEU 18 -2.788 -11.696 13.339 6 HD11 LEU 18 HD13 LEU 18 -3.914 -10.349 13.189 7 HD22 LEU 18 HD21 LEU 18 -2.925 -12.472 10.292 8 HD21 LEU 18 HD22 LEU 18 -4.311 -13.559 10.372 9 HD23 LEU 18 HD23 LEU 18 -3.020 -13.684 11.573 10 H LEU 18 HN LEU 18 -7.270 -11.534 11.609 11 HB3 LEU 18 HB1 LEU 18 -4.809 -13.434 13.401 No H/Q in entry = 11 In of MODEL 9 1 HA GLN 19 HA GLN 19 -8.839 -14.899 15.307 2 HB2 GLN 19 HB2 GLN 19 -10.893 -12.849 14.361 3 HG2 GLN 19 HG2 GLN 19 -9.392 -12.966 16.987 4 HE21 GLN 19 HE21 GLN 19 -9.324 -10.036 16.925 5 HE22 GLN 19 HE22 GLN 19 -10.905 -9.512 17.376 6 H GLN 19 HN GLN 19 -8.596 -12.759 13.443 7 HB3 GLN 19 HB1 GLN 19 -11.184 -13.977 15.684 8 HG3 GLN 19 HG1 GLN 19 -8.981 -11.893 15.651 No H/Q in entry = 8 In of MODEL 9 1 HA ARG 20 HA ARG 20 -12.318 -16.475 12.467 2 HB2 ARG 20 HB2 ARG 20 -13.279 -15.645 10.323 3 HG2 ARG 20 HG2 ARG 20 -11.404 -13.272 10.589 4 HD2 ARG 20 HD2 ARG 20 -13.689 -12.809 9.626 5 HE ARG 20 HE ARG 20 -12.967 -14.987 7.846 6 HH11 ARG 20 HH11 ARG 20 -15.074 -12.199 8.251 7 HH12 ARG 20 HH12 ARG 20 -16.175 -12.725 7.024 8 HH21 ARG 20 HH21 ARG 20 -14.410 -15.644 6.255 9 HH22 ARG 20 HH22 ARG 20 -15.792 -14.664 5.886 10 H ARG 20 HN ARG 20 -10.737 -14.083 12.401 11 HB3 ARG 20 HB1 ARG 20 -13.297 -14.428 11.593 12 HG3 ARG 20 HG1 ARG 20 -11.207 -14.548 9.388 13 HD3 ARG 20 HD1 ARG 20 -12.341 -12.472 8.532 No H/Q in entry = 13 In of MODEL 9 1 HA GLU 21 HA GLU 21 -9.383 -17.800 9.021 2 HB2 GLU 21 HB2 GLU 21 -8.147 -15.640 8.659 3 HG2 GLU 21 HG2 GLU 21 -6.112 -16.506 7.647 4 H GLU 21 HN GLU 21 -9.229 -15.769 11.115 5 HB3 GLU 21 HB1 GLU 21 -6.996 -16.122 9.899 6 HG3 GLU 21 HG1 GLU 21 -6.265 -18.013 8.549 No H/Q in entry = 6 In of MODEL 9 1 HA TYR 22 HA TYR 22 -6.572 -20.019 11.958 2 HB2 TYR 22 HB2 TYR 22 -5.412 -17.648 13.483 3 HD1 TYR 22 HD1 TYR 22 -4.650 -16.034 11.915 4 HD2 TYR 22 HD2 TYR 22 -4.092 -20.180 11.039 5 HE1 TYR 22 HE1 TYR 22 -3.336 -15.443 9.922 6 HE2 TYR 22 HE2 TYR 22 -2.779 -19.578 9.052 7 HH TYR 22 HH TYR 22 -2.596 -17.603 7.485 8 H TYR 22 HN TYR 22 -7.509 -17.209 12.014 9 HB3 TYR 22 HB1 TYR 22 -4.734 -19.272 13.424 No H/Q in entry = 9 In of MODEL 9 1 HA SER 23 HA SER 23 -8.754 -19.255 16.218 2 HB2 SER 23 HB2 SER 23 -7.112 -20.433 17.736 3 HG SER 23 HG SER 23 -5.324 -19.077 16.236 4 H SER 23 HN SER 23 -6.919 -17.737 14.706 5 HB3 SER 23 HB1 SER 23 -7.102 -21.058 16.091 No H/Q in entry = 5 In of MODEL 9 1 HA THR 24 HA THR 24 -7.079 -16.334 19.279 2 HB THR 24 HB THR 24 -9.018 -15.623 20.720 3 HG1 THR 24 HG1 THR 24 -10.054 -17.721 20.789 4 HG21 THR 24 HG21 THR 24 -8.728 -14.576 18.503 5 HG23 THR 24 HG22 THR 24 -10.439 -14.712 18.916 6 HG22 THR 24 HG23 THR 24 -9.717 -15.842 17.767 7 H THR 24 HN THR 24 -8.633 -18.743 18.547 No H/Q in entry = 7 In of MODEL 9 1 HA LEU 25 HA LEU 25 -6.016 -18.885 22.687 2 HB2 LEU 25 HB2 LEU 25 -4.252 -17.015 22.375 3 HG LEU 25 HG LEU 25 -4.556 -18.195 25.165 4 HD12 LEU 25 HD11 LEU 25 -2.944 -19.151 22.782 5 HD11 LEU 25 HD12 LEU 25 -4.423 -19.897 23.404 6 HD13 LEU 25 HD13 LEU 25 -2.966 -19.880 24.390 7 HD22 LEU 25 HD21 LEU 25 -3.071 -16.252 25.216 8 HD21 LEU 25 HD22 LEU 25 -2.133 -16.910 23.871 9 HD23 LEU 25 HD23 LEU 25 -2.154 -17.745 25.427 10 H LEU 25 HN LEU 25 -6.467 -16.257 21.492 11 HB3 LEU 25 HB1 LEU 25 -5.040 -16.195 23.716 No H/Q in entry = 11 In of MODEL 9 1 HA ARG 26 HA ARG 26 -8.801 -17.728 26.004 2 HB2 ARG 26 HB2 ARG 26 -10.000 -19.705 26.737 3 HG2 ARG 26 HG2 ARG 26 -8.019 -21.481 25.277 4 HD2 ARG 26 HD2 ARG 26 -10.314 -22.379 25.434 5 HE ARG 26 HE ARG 26 -10.879 -21.206 27.609 6 HH11 ARG 26 HH11 ARG 26 -9.780 -24.537 27.608 7 HH12 ARG 26 HH12 ARG 26 -10.677 -24.943 29.033 8 HH21 ARG 26 HH21 ARG 26 -12.023 -21.757 29.475 9 HH22 ARG 26 HH22 ARG 26 -11.937 -23.376 30.091 10 H ARG 26 HN ARG 26 -6.634 -19.429 24.880 11 HB3 ARG 26 HB1 ARG 26 -9.718 -19.797 25.004 12 HG3 ARG 26 HG1 ARG 26 -7.983 -21.253 27.024 13 HD3 ARG 26 HD1 ARG 26 -9.174 -23.313 26.413 No H/Q in entry = 13 In of MODEL 9 1 HA SER 27 HA SER 27 -5.979 -18.899 29.508 2 HB2 SER 27 HB2 SER 27 -6.219 -21.891 28.923 3 HG SER 27 HG SER 27 -8.066 -19.987 29.847 4 H SER 27 HN SER 27 -6.140 -19.949 26.778 5 HB3 SER 27 HB1 SER 27 -5.961 -21.163 30.507 No H/Q in entry = 5 In of MODEL 9 1 HA VAL 28 HA VAL 28 -1.798 -20.559 28.954 2 HB VAL 28 HB VAL 28 -1.492 -17.803 30.257 3 H VAL 28 HN VAL 28 -3.953 -19.291 30.502 No H/Q in entry = 3 In of MODEL 9 1 HA GLN 29 HA GLN 29 -0.316 -21.224 33.142 2 HB2 GLN 29 HB2 GLN 29 -0.426 -23.647 33.591 3 HG2 GLN 29 HG2 GLN 29 -1.014 -24.024 30.642 4 HE21 GLN 29 HE21 GLN 29 -2.805 -24.845 32.788 5 HE22 GLN 29 HE22 GLN 29 -2.840 -26.569 32.759 6 H GLN 29 HN GLN 29 -0.384 -21.667 30.237 7 HB3 GLN 29 HB1 GLN 29 -1.883 -23.115 32.757 8 HG3 GLN 29 HG1 GLN 29 0.463 -24.532 31.451 No H/Q in entry = 8 In of MODEL 9 1 HA TYR 30 HA TYR 30 3.962 -21.872 32.100 2 HB2 TYR 30 HB2 TYR 30 4.211 -19.801 33.371 3 HD1 TYR 30 HD1 TYR 30 5.807 -21.494 36.115 4 HD2 TYR 30 HD2 TYR 30 6.301 -20.563 31.979 5 HE1 TYR 30 HE1 TYR 30 8.208 -21.994 36.288 6 HE2 TYR 30 HE2 TYR 30 8.705 -21.048 32.155 7 HH TYR 30 HH TYR 30 10.461 -21.188 33.836 8 H TYR 30 HN TYR 30 1.750 -21.190 33.876 9 HB3 TYR 30 HB1 TYR 30 3.930 -20.644 34.894 No H/Q in entry = 9 In of MODEL 9 1 HA ARG 31 HA ARG 31 4.131 -25.797 34.243 2 HB2 ARG 31 HB2 ARG 31 5.226 -26.264 31.438 3 HG2 ARG 31 HG2 ARG 31 2.584 -27.080 32.695 4 HD2 ARG 31 HD2 ARG 31 3.701 -27.694 29.941 5 HE ARG 31 HE ARG 31 0.978 -27.648 30.891 6 HH11 ARG 31 HH11 ARG 31 3.082 -29.262 28.567 7 HH12 ARG 31 HH12 ARG 31 1.757 -29.702 27.543 8 HH21 ARG 31 HH21 ARG 31 -0.693 -28.210 29.529 9 HH22 ARG 31 HH22 ARG 31 -0.367 -29.103 28.081 10 H ARG 31 HN ARG 31 4.411 -24.004 31.982 11 HB3 ARG 31 HB1 ARG 31 5.040 -27.526 32.659 12 HG3 ARG 31 HG1 ARG 31 2.806 -25.887 31.411 13 HD3 ARG 31 HD1 ARG 31 3.369 -28.870 31.222 No H/Q in entry = 13 In of MODEL 9 1 HA SER 32 HA SER 32 8.242 -24.488 35.505 2 HB2 SER 32 HB2 SER 32 8.406 -24.954 37.983 3 HG SER 32 HG SER 32 6.608 -25.747 39.039 4 H SER 32 HN SER 32 5.559 -25.395 35.835 5 HB3 SER 32 HB1 SER 32 7.011 -23.968 37.542 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 33 HA GLU 33 8.931 -29.341 36.298 2 HB2 GLU 33 HB2 GLU 33 6.587 -30.085 36.306 3 HG2 GLU 33 HG2 GLU 33 8.025 -31.612 34.117 4 H GLU 33 HN GLU 33 6.760 -27.648 35.804 5 HB3 GLU 33 HB1 GLU 33 6.445 -29.773 34.582 6 HG3 GLU 33 HG1 GLU 33 8.204 -31.899 35.848 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 34 HA GLU 34 9.891 -29.196 31.679 2 HB2 GLU 34 HB2 GLU 34 7.542 -27.441 30.873 3 HG2 GLU 34 HG2 GLU 34 6.753 -29.585 31.831 4 H GLU 34 HN GLU 34 7.812 -27.895 33.302 5 HB3 GLU 34 HB1 GLU 34 8.595 -28.326 29.770 6 HG3 GLU 34 HG1 GLU 34 6.384 -29.401 30.117 No H/Q in entry = 6 In of MODEL 9 1 HA3 GLY 35 HA2 GLY 35 10.157 -24.122 33.237 2 H GLY 35 HN GLY 35 9.182 -26.196 33.232 3 HA2 GLY 35 HA1 GLY 35 11.495 -24.801 32.322 No H/Q in entry = 3 In of MODEL 9 1 HA VAL 36 HA VAL 36 8.689 -22.951 29.085 2 HB VAL 36 HB VAL 36 7.420 -24.285 27.512 3 H VAL 36 HN VAL 36 8.119 -24.840 31.299 No H/Q in entry = 3 In of MODEL 9 1 HA ILE 37 HA ILE 37 4.531 -21.555 30.022 2 HB ILE 37 HB ILE 37 5.365 -19.757 27.692 3 HD12 ILE 37 HD11 ILE 37 5.409 -17.198 29.589 4 HD11 ILE 37 HD12 ILE 37 6.627 -17.563 28.360 5 HD13 ILE 37 HD13 ILE 37 7.105 -17.354 30.044 6 H ILE 37 HN ILE 37 6.909 -21.789 28.307 No H/Q in entry = 6 In of MODEL 9 1 HA VAL 38 HA VAL 38 2.421 -23.439 26.580 2 HB VAL 38 HB VAL 38 1.355 -24.651 29.163 3 H VAL 38 HN VAL 38 2.699 -22.489 29.356 No H/Q in entry = 3 In of MODEL 9 1 HA PHE 39 HA PHE 39 -1.026 -20.663 26.524 2 HB2 PHE 39 HB2 PHE 39 0.051 -20.944 23.674 3 HD1 PHE 39 HD1 PHE 39 -0.310 -17.822 25.580 4 HD2 PHE 39 HD2 PHE 39 2.441 -20.835 24.303 5 HE1 PHE 39 HE1 PHE 39 1.569 -16.362 26.189 6 HE2 PHE 39 HE2 PHE 39 4.313 -19.372 24.915 7 HZ PHE 39 HZ PHE 39 3.878 -17.132 25.856 8 H PHE 39 HN PHE 39 1.114 -22.312 25.445 9 HB3 PHE 39 HB1 PHE 39 -1.075 -19.713 24.233 No H/Q in entry = 9 In of MODEL 9 1 HA ILE 40 HA ILE 40 -3.697 -24.122 25.337 2 HB ILE 40 HB ILE 40 -5.067 -22.707 27.667 3 HD12 ILE 40 HD11 ILE 40 -5.132 -25.213 29.520 4 HD11 ILE 40 HD12 ILE 40 -4.514 -23.640 30.031 5 HD13 ILE 40 HD13 ILE 40 -3.493 -25.070 30.157 6 H ILE 40 HN ILE 40 -2.739 -21.976 27.013 No H/Q in entry = 6 In of MODEL 9 1 HA LEU 41 HA LEU 41 -5.906 -21.261 22.795 2 HB2 LEU 41 HB2 LEU 41 -5.372 -23.903 21.441 3 HG LEU 41 HG LEU 41 -3.605 -22.051 21.502 4 HD13 LEU 41 HD11 LEU 41 -3.484 -23.808 19.801 5 HD12 LEU 41 HD12 LEU 41 -2.957 -22.259 19.148 6 HD11 LEU 41 HD13 LEU 41 -4.561 -22.887 18.748 7 HD23 LEU 41 HD21 LEU 41 -3.941 -20.133 19.994 8 HD22 LEU 41 HD22 LEU 41 -5.112 -20.142 21.307 9 HD21 LEU 41 HD23 LEU 41 -5.599 -20.655 19.689 10 H LEU 41 HN LEU 41 -4.904 -23.864 23.612 11 HB3 LEU 41 HB1 LEU 41 -6.443 -22.753 20.651 No H/Q in entry = 11 In of MODEL 9 1 HA ALA 42 HA ALA 42 -10.203 -22.000 23.384 2 HB3 ALA 42 HB1 ALA 42 -11.571 -20.576 21.903 3 HB1 ALA 42 HB2 ALA 42 -10.167 -20.291 20.868 4 HB2 ALA 42 HB3 ALA 42 -10.178 -19.688 22.527 5 H ALA 42 HN ALA 42 -7.989 -20.889 21.986 No H/Q in entry = 5 In of MODEL 9 1 HA ASN 43 HA ASN 43 -10.609 -24.667 19.486 2 HB2 ASN 43 HB2 ASN 43 -9.052 -24.956 17.545 3 HD21 ASN 43 HD21 ASN 43 -6.904 -25.489 17.661 4 HD22 ASN 43 HD22 ASN 43 -5.642 -24.351 17.961 5 H ASN 43 HN ASN 43 -8.586 -22.788 20.435 6 HB3 ASN 43 HB1 ASN 43 -9.532 -23.280 17.802 No H/Q in entry = 6 In of MODEL 9 1 HA ASP 44 HA ASP 44 -8.179 -26.643 23.318 2 HB2 ASP 44 HB2 ASP 44 -10.384 -27.542 22.340 3 H ASP 44 HN ASP 44 -8.819 -24.937 22.006 4 HB3 ASP 44 HB1 ASP 44 -9.404 -28.534 21.268 No H/Q in entry = 4 In of MODEL 9 1 HA ARG 45 HA ARG 45 -4.411 -27.991 21.458 2 HB2 ARG 45 HB2 ARG 45 -4.844 -27.048 19.268 3 HG2 ARG 45 HG2 ARG 45 -2.119 -26.099 20.217 4 HD2 ARG 45 HD2 ARG 45 -3.020 -26.713 17.389 5 HE ARG 45 HE ARG 45 -0.417 -26.388 18.587 6 HH11 ARG 45 HH11 ARG 45 -2.178 -25.958 15.578 7 HH12 ARG 45 HH12 ARG 45 -0.753 -26.032 14.600 8 HH21 ARG 45 HH21 ARG 45 1.423 -26.494 17.317 9 HH22 ARG 45 HH22 ARG 45 1.311 -26.334 15.596 10 H ARG 45 HN ARG 45 -6.173 -25.656 21.930 11 HB3 ARG 45 HB1 ARG 45 -4.497 -25.418 19.832 12 HG3 ARG 45 HG1 ARG 45 -2.501 -27.695 19.567 13 HD3 ARG 45 HD1 ARG 45 -2.737 -25.085 18.032 No H/Q in entry = 13 In of MODEL 9 1 HA GLU 46 HA GLU 46 -1.917 -25.661 24.275 2 HB2 GLU 46 HB2 GLU 46 -0.859 -28.523 24.356 3 HG2 GLU 46 HG2 GLU 46 -1.963 -28.619 26.598 4 H GLU 46 HN GLU 46 -2.532 -27.974 22.561 5 HB3 GLU 46 HB1 GLU 46 -0.383 -27.248 25.468 6 HG3 GLU 46 HG1 GLU 46 -2.765 -27.094 26.231 No H/Q in entry = 6 In of MODEL 9 1 HA LEU 47 HA LEU 47 1.576 -24.969 21.492 2 HB2 LEU 47 HB2 LEU 47 0.329 -22.334 22.319 3 HG LEU 47 HG LEU 47 -0.573 -23.491 20.249 4 HD11 LEU 47 HD11 LEU 47 -0.784 -21.061 20.498 5 HD13 LEU 47 HD12 LEU 47 -0.542 -21.503 18.811 6 HD12 LEU 47 HD13 LEU 47 0.796 -20.829 19.746 7 HD21 LEU 47 HD21 LEU 47 1.538 -24.550 19.527 8 HD23 LEU 47 HD22 LEU 47 2.213 -22.962 19.143 9 HD22 LEU 47 HD23 LEU 47 0.829 -23.580 18.231 10 H LEU 47 HN LEU 47 -0.762 -24.213 23.032 11 HB3 LEU 47 HB1 LEU 47 1.927 -22.363 21.587 No H/Q in entry = 11 In of MODEL 9 1 HA LYS 48 HA LYS 48 4.184 -24.407 25.071 2 HB2 LYS 48 HB2 LYS 48 3.584 -26.756 24.775 3 HG2 LYS 48 HG2 LYS 48 6.605 -26.691 25.016 4 HD2 LYS 48 HD2 LYS 48 4.604 -28.552 26.348 5 HE2 LYS 48 HE2 LYS 48 6.770 -28.267 27.558 6 HZ3 LYS 48 HZ1 LYS 48 8.768 -29.202 26.475 7 HZ2 LYS 48 HZ2 LYS 48 8.242 -27.769 25.745 8 HZ1 LYS 48 HZ3 LYS 48 7.932 -29.258 25.008 9 H LYS 48 HN LYS 48 3.748 -24.758 22.175 10 HB3 LYS 48 HB1 LYS 48 4.749 -26.933 23.466 11 HG3 LYS 48 HG1 LYS 48 5.505 -26.293 26.338 12 HD3 LYS 48 HD1 LYS 48 5.501 -28.964 24.884 13 HE3 LYS 48 HE1 LYS 48 6.548 -29.904 26.936 No H/Q in entry = 13 In of MODEL 9 1 HA PHE 49 HA PHE 49 8.228 -23.172 23.703 2 HB2 PHE 49 HB2 PHE 49 6.511 -20.641 23.654 3 HD1 PHE 49 HD1 PHE 49 8.969 -21.458 21.067 4 HD2 PHE 49 HD2 PHE 49 4.832 -21.689 22.145 5 HE1 PHE 49 HE1 PHE 49 8.375 -21.916 18.719 6 HE2 PHE 49 HE2 PHE 49 4.251 -22.152 19.798 7 HZ PHE 49 HZ PHE 49 6.020 -22.266 18.084 8 H PHE 49 HN PHE 49 5.634 -22.849 25.069 9 HB3 PHE 49 HB1 PHE 49 8.219 -20.656 23.242 No H/Q in entry = 9 In of MODEL 9 1 HA ARG 50 HA ARG 50 9.615 -22.023 27.783 2 HB2 ARG 50 HB2 ARG 50 12.025 -21.365 26.038 3 HG2 ARG 50 HG2 ARG 50 11.623 -23.931 27.599 4 HD2 ARG 50 HD2 ARG 50 13.980 -23.316 27.195 5 HE ARG 50 HE ARG 50 13.255 -22.165 24.877 6 HH11 ARG 50 HH11 ARG 50 15.287 -24.994 25.331 7 HH12 ARG 50 HH12 ARG 50 16.285 -24.619 23.969 8 HH21 ARG 50 HH21 ARG 50 14.599 -21.697 23.132 9 HH22 ARG 50 HH22 ARG 50 15.896 -22.768 22.721 10 H ARG 50 HN ARG 50 9.942 -22.418 24.980 11 HB3 ARG 50 HB1 ARG 50 12.043 -21.566 27.792 12 HG3 ARG 50 HG1 ARG 50 11.279 -23.788 25.870 13 HD3 ARG 50 HD1 ARG 50 13.516 -24.729 26.236 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 51 HA PRO 51 9.167 -17.502 28.067 2 HB2 PRO 51 HB2 PRO 51 10.870 -16.983 30.229 3 HG2 PRO 51 HG2 PRO 51 11.698 -19.151 30.514 4 HD2 PRO 51 HD2 PRO 51 10.644 -21.014 29.559 5 HB3 PRO 51 HB1 PRO 51 9.185 -17.497 30.372 6 HG3 PRO 51 HG1 PRO 51 10.239 -19.239 31.527 7 HD3 PRO 51 HD1 PRO 51 9.011 -20.388 29.885 No H/Q in entry = 7 In of MODEL 9 1 HA ASP 52 HA ASP 52 13.956 -16.725 27.275 2 HB2 ASP 52 HB2 ASP 52 14.423 -19.691 26.730 3 H ASP 52 HN ASP 52 12.395 -18.977 28.016 4 HB3 ASP 52 HB1 ASP 52 15.643 -18.430 26.533 No H/Q in entry = 4 In of MODEL 9 1 HA ASP 53 HA ASP 53 12.902 -18.266 22.810 2 HB2 ASP 53 HB2 ASP 53 10.297 -19.527 23.757 3 H ASP 53 HN ASP 53 11.979 -18.952 25.421 4 HB3 ASP 53 HB1 ASP 53 10.692 -19.312 22.056 No H/Q in entry = 4 In of MODEL 9 1 HA LEU 54 HA LEU 54 9.138 -15.488 22.828 2 HB2 LEU 54 HB2 LEU 54 8.374 -15.752 25.755 3 HG LEU 54 HG LEU 54 8.450 -18.010 24.686 4 HD13 LEU 54 HD11 LEU 54 6.176 -18.691 25.245 5 HD12 LEU 54 HD12 LEU 54 5.650 -17.006 25.229 6 HD11 LEU 54 HD13 LEU 54 6.817 -17.556 26.434 7 HD22 LEU 54 HD21 LEU 54 8.133 -17.389 22.347 8 HD21 LEU 54 HD22 LEU 54 6.486 -16.836 22.684 9 HD23 LEU 54 HD23 LEU 54 6.891 -18.547 22.835 10 H LEU 54 HN LEU 54 10.478 -16.971 24.966 11 HB3 LEU 54 HB1 LEU 54 7.350 -15.179 24.436 No H/Q in entry = 11 In of MODEL 9 1 HA GLN 55 HA GLN 55 11.166 -11.745 23.696 2 HB2 GLN 55 HB2 GLN 55 10.202 -11.284 21.517 3 HG2 GLN 55 HG2 GLN 55 10.895 -9.228 23.012 4 HE21 GLN 55 HE21 GLN 55 10.223 -7.322 23.936 5 HE22 GLN 55 HE22 GLN 55 8.582 -6.969 24.322 6 H GLN 55 HN GLN 55 9.138 -13.362 22.634 7 HB3 GLN 55 HB1 GLN 55 8.608 -11.024 22.208 8 HG3 GLN 55 HG1 GLN 55 10.098 -8.980 21.462 No H/Q in entry = 8 In of MODEL 9 1 HA ALA 56 HA ALA 56 7.495 -9.913 26.394 2 HB3 ALA 56 HB1 ALA 56 5.590 -11.127 27.436 3 HB1 ALA 56 HB2 ALA 56 6.125 -12.632 26.679 4 HB2 ALA 56 HB3 ALA 56 5.558 -11.300 25.677 5 H ALA 56 HN ALA 56 7.770 -12.121 24.679 No H/Q in entry = 5 In of MODEL 9 1 HA THR 57 HA THR 57 9.118 -12.626 29.812 2 HB THR 57 HB THR 57 8.807 -15.136 29.913 3 HG1 THR 57 HG1 THR 57 9.361 -15.267 27.514 4 HG21 THR 57 HG21 THR 57 6.593 -13.550 28.596 5 HG23 THR 57 HG22 THR 57 6.930 -13.623 30.322 6 HG22 THR 57 HG23 THR 57 6.384 -15.067 29.473 7 H THR 57 HN THR 57 8.989 -13.017 26.883 No H/Q in entry = 7 In of MODEL 9 1 HA TYR 58 HA TYR 58 13.105 -14.345 27.836 2 HB2 TYR 58 HB2 TYR 58 12.999 -12.848 25.826 3 HD1 TYR 58 HD1 TYR 58 14.621 -15.054 26.261 4 HD2 TYR 58 HD2 TYR 58 15.825 -10.964 26.508 5 HE1 TYR 58 HE1 TYR 58 16.940 -15.715 25.813 6 HE2 TYR 58 HE2 TYR 58 18.153 -11.626 26.057 7 HH TYR 58 HH TYR 58 19.563 -13.747 26.379 8 H TYR 58 HN TYR 58 11.153 -12.324 27.461 9 HB3 TYR 58 HB1 TYR 58 13.533 -11.498 26.830 No H/Q in entry = 9 In of MODEL 9 1 HA3 GLY 59 HA2 GLY 59 14.652 -14.508 31.926 2 H GLY 59 HN GLY 59 13.496 -14.701 29.938 3 HA2 GLY 59 HA1 GLY 59 15.129 -12.875 31.496 No H/Q in entry = 3 In of MODEL 9 1 HA ALA 60 HA ALA 60 11.173 -12.322 33.887 2 HB2 ALA 60 HB1 ALA 60 9.767 -12.162 31.862 3 HB3 ALA 60 HB2 ALA 60 8.821 -12.639 33.272 4 HB1 ALA 60 HB3 ALA 60 9.271 -13.848 32.064 5 H ALA 60 HN ALA 60 11.833 -14.254 31.735 No H/Q in entry = 5 In of MODEL 9 1 HA THR 61 HA THR 61 10.922 -15.653 36.732 2 HB THR 61 HB THR 61 9.774 -14.784 38.907 3 HG1 THR 61 HG1 THR 61 9.970 -12.280 38.667 4 HG23 THR 61 HG21 THR 61 11.687 -13.442 39.569 5 HG22 THR 61 HG22 THR 61 12.181 -13.252 37.884 6 HG21 THR 61 HG23 THR 61 12.228 -14.845 38.643 7 H THR 61 HN THR 61 10.282 -12.996 35.838 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 62 HA PRO 62 7.141 -17.926 36.044 2 HB2 PRO 62 HB2 PRO 62 6.980 -19.336 38.489 3 HG2 PRO 62 HG2 PRO 62 8.833 -18.343 39.510 4 HD2 PRO 62 HD2 PRO 62 10.441 -17.145 38.277 5 HB3 PRO 62 HB1 PRO 62 7.898 -19.829 37.066 6 HG3 PRO 62 HG1 PRO 62 9.635 -19.657 38.619 7 HD3 PRO 62 HD1 PRO 62 10.307 -18.223 36.868 No H/Q in entry = 7 In of MODEL 9 1 HA GLU 63 HA GLU 63 4.580 -16.148 39.738 2 HB2 GLU 63 HB2 GLU 63 5.166 -13.933 41.022 3 HG2 GLU 63 HG2 GLU 63 7.522 -13.886 39.670 4 H GLU 63 HN GLU 63 7.347 -16.077 39.070 5 HB3 GLU 63 HB1 GLU 63 5.828 -15.460 41.563 6 HG3 GLU 63 HG1 GLU 63 7.287 -13.197 41.277 No H/Q in entry = 6 In of MODEL 9 1 HA GLN 64 HA GLN 64 4.358 -12.150 37.043 2 HB2 GLN 64 HB2 GLN 64 6.887 -12.871 35.519 3 HG2 GLN 64 HG2 GLN 64 6.386 -10.518 37.367 4 HE21 GLN 64 HE21 GLN 64 8.577 -12.151 35.136 5 HE22 GLN 64 HE22 GLN 64 9.683 -10.838 34.981 6 H GLN 64 HN GLN 64 6.450 -14.016 37.652 7 HB3 GLN 64 HB1 GLN 64 5.862 -11.479 35.167 8 HG3 GLN 64 HG1 GLN 64 7.369 -11.925 37.768 No H/Q in entry = 8 In of MODEL 9 1 HA LEU 65 HA LEU 65 3.382 -15.278 33.611 2 HB2 LEU 65 HB2 LEU 65 5.072 -17.584 34.726 3 HG LEU 65 HG LEU 65 6.665 -15.747 34.408 4 HD12 LEU 65 HD11 LEU 65 6.841 -17.746 32.138 5 HD11 LEU 65 HD12 LEU 65 7.419 -17.974 33.790 6 HD13 LEU 65 HD13 LEU 65 8.169 -16.758 32.759 7 HD23 LEU 65 HD21 LEU 65 6.950 -14.631 32.224 8 HD22 LEU 65 HD22 LEU 65 5.380 -14.297 32.944 9 HD21 LEU 65 HD23 LEU 65 5.510 -15.453 31.615 10 H LEU 65 HN LEU 65 4.975 -15.353 36.131 11 HB3 LEU 65 HB1 LEU 65 4.464 -17.385 33.084 No H/Q in entry = 11 In of MODEL 9 1 HA ARG 66 HA ARG 66 0.538 -17.440 36.438 2 HB2 ARG 66 HB2 ARG 66 1.222 -15.635 38.808 3 HG2 ARG 66 HG2 ARG 66 3.142 -17.067 38.366 4 HD2 ARG 66 HD2 ARG 66 1.276 -19.440 38.659 5 HE ARG 66 HE ARG 66 3.968 -19.363 39.122 6 HH11 ARG 66 HH11 ARG 66 1.991 -21.014 36.707 7 HH12 ARG 66 HH12 ARG 66 3.087 -22.352 36.572 8 HH21 ARG 66 HH21 ARG 66 5.378 -21.100 38.914 9 HH22 ARG 66 HH22 ARG 66 5.003 -22.405 37.832 10 H ARG 66 HN ARG 66 2.430 -15.153 36.509 11 HB3 ARG 66 HB1 ARG 66 0.147 -17.034 38.837 12 HG3 ARG 66 HG1 ARG 66 2.311 -17.567 39.835 13 HD3 ARG 66 HD1 ARG 66 1.967 -18.897 37.123 No H/Q in entry = 13 In of MODEL 9 1 HA GLU 67 HA GLU 67 -2.040 -13.518 36.773 2 HB2 GLU 67 HB2 GLU 67 -1.383 -11.055 37.319 3 HG2 GLU 67 HG2 GLU 67 1.038 -12.426 38.519 4 H GLU 67 HN GLU 67 0.760 -13.980 37.364 5 HB3 GLU 67 HB1 GLU 67 -1.400 -12.239 38.617 6 HG3 GLU 67 HG1 GLU 67 1.087 -11.302 37.165 No H/Q in entry = 6 In of MODEL 9 1 HA ILE 68 HA ILE 68 -0.966 -12.433 32.592 2 HB ILE 68 HB ILE 68 -1.800 -15.367 32.802 3 HD13 ILE 68 HD11 ILE 68 0.195 -16.994 32.889 4 HD12 ILE 68 HD12 ILE 68 1.780 -16.410 32.387 5 HD11 ILE 68 HD13 ILE 68 0.483 -16.543 31.202 6 H ILE 68 HN ILE 68 -2.307 -13.946 34.753 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 69 HA GLU 69 -5.206 -12.597 30.949 2 HB2 GLU 69 HB2 GLU 69 -4.934 -10.243 31.834 3 HG2 GLU 69 HG2 GLU 69 -6.288 -10.209 29.126 4 H GLU 69 HN GLU 69 -2.362 -11.813 30.858 5 HB3 GLU 69 HB1 GLU 69 -4.207 -9.774 30.304 6 HG3 GLU 69 HG1 GLU 69 -7.022 -10.873 30.583 No H/Q in entry = 6 In of MODEL 9 1 HA ILE 70 HA ILE 70 -4.430 -13.236 26.587 2 HB ILE 70 HB ILE 70 -7.429 -12.648 26.602 3 HD12 ILE 70 HD11 ILE 70 -4.742 -15.188 27.318 4 HD11 ILE 70 HD12 ILE 70 -5.430 -15.812 25.816 5 HD13 ILE 70 HD13 ILE 70 -5.853 -16.555 27.357 6 H ILE 70 HN ILE 70 -6.205 -12.495 28.741 No H/Q in entry = 6 In of MODEL 9 1 HA SER 71 HA SER 71 -3.405 -9.436 24.637 2 HB2 SER 71 HB2 SER 71 -4.600 -10.881 22.238 3 HG SER 71 HG SER 71 -1.959 -10.342 23.100 4 H SER 71 HN SER 71 -4.338 -12.020 24.443 5 HB3 SER 71 HB1 SER 71 -3.854 -9.290 22.097 No H/Q in entry = 5 In of MODEL 9 1 HA PRO 72 HA PRO 72 -7.087 -6.751 24.722 2 HB2 PRO 72 HB2 PRO 72 -6.053 -4.471 23.595 3 HG2 PRO 72 HG2 PRO 72 -4.067 -5.429 22.727 4 HD2 PRO 72 HD2 PRO 72 -3.155 -7.389 23.636 5 HB3 PRO 72 HB1 PRO 72 -5.677 -4.986 25.249 6 HG3 PRO 72 HG1 PRO 72 -3.522 -4.811 24.306 7 HD3 PRO 72 HD1 PRO 72 -3.574 -6.938 25.303 No H/Q in entry = 7 In of MODEL 9 1 HA SER 73 HA SER 73 -7.560 -6.960 19.975 2 HB2 SER 73 HB2 SER 73 -5.085 -8.687 19.516 3 HG SER 73 HG SER 73 -5.406 -5.974 18.784 4 H SER 73 HN SER 73 -5.379 -7.604 21.795 5 HB3 SER 73 HB1 SER 73 -6.136 -8.004 18.272 No H/Q in entry = 5 In of MODEL 9 1 HA3 GLY 74 HA2 GLY 74 -7.930 -11.339 22.781 2 H GLY 74 HN GLY 74 -6.717 -9.507 22.100 3 HA2 GLY 74 HA1 GLY 74 -9.046 -11.102 21.452 No H/Q in entry = 3 In of MODEL 9 1 HA LEU 75 HA LEU 75 -6.235 -13.731 19.038 2 HB2 LEU 75 HB2 LEU 75 -4.077 -11.603 18.823 3 HG LEU 75 HG LEU 75 -6.229 -11.103 17.608 4 HD12 LEU 75 HD11 LEU 75 -3.835 -11.632 15.822 5 HD11 LEU 75 HD12 LEU 75 -4.127 -10.179 16.782 6 HD13 LEU 75 HD13 LEU 75 -5.199 -10.574 15.441 7 HD21 LEU 75 HD21 LEU 75 -6.935 -13.405 17.130 8 HD23 LEU 75 HD22 LEU 75 -5.565 -13.620 16.037 9 HD22 LEU 75 HD23 LEU 75 -6.838 -12.463 15.642 10 H LEU 75 HN LEU 75 -5.900 -11.136 20.277 11 HB3 LEU 75 HB1 LEU 75 -3.985 -13.134 17.960 No H/Q in entry = 11 In of MODEL 9 1 HA3 GLY 76 HA2 GLY 76 -2.543 -15.084 21.470 2 H GLY 76 HN GLY 76 -3.349 -12.359 20.685 3 HA2 GLY 76 HA1 GLY 76 -1.502 -13.666 21.370 No H/Q in entry = 3 In of MODEL 9 1 HA VAL 77 HA VAL 77 -2.678 -13.117 25.576 2 HB VAL 77 HB VAL 77 -0.750 -15.005 25.389 3 H VAL 77 HN VAL 77 -0.841 -13.032 23.275 No H/Q in entry = 3 In of MODEL 9 1 HA TYR 78 HA TYR 78 0.048 -9.645 26.745 2 HB2 TYR 78 HB2 TYR 78 -2.155 -8.652 25.999 3 HD1 TYR 78 HD1 TYR 78 -2.499 -7.271 29.312 4 HD2 TYR 78 HD2 TYR 78 -0.081 -7.091 25.788 5 HE1 TYR 78 HE1 TYR 78 -1.618 -5.096 30.031 6 HE2 TYR 78 HE2 TYR 78 0.798 -4.914 26.503 7 HH TYR 78 HH TYR 78 0.372 -3.677 29.647 8 H TYR 78 HN TYR 78 -1.927 -11.694 27.327 9 HB3 TYR 78 HB1 TYR 78 -2.800 -8.929 27.613 No H/Q in entry = 9 In of MODEL 9 1 HA PHE 79 HA PHE 79 0.471 -11.020 30.985 2 HB2 PHE 79 HB2 PHE 79 3.288 -10.470 29.949 3 HD1 PHE 79 HD1 PHE 79 0.576 -12.832 30.117 4 HD2 PHE 79 HD2 PHE 79 4.631 -12.489 29.541 5 HE1 PHE 79 HE1 PHE 79 0.619 -15.075 29.139 6 HE2 PHE 79 HE2 PHE 79 4.677 -14.740 28.587 7 HZ PHE 79 HZ PHE 79 2.684 -16.047 28.381 8 H PHE 79 HN PHE 79 1.359 -10.334 28.339 9 HB3 PHE 79 HB1 PHE 79 2.895 -11.161 31.525 No H/Q in entry = 9 In of MODEL 9 1 HA GLU 80 HA GLU 80 -0.200 -6.797 31.928 2 HB2 GLU 80 HB2 GLU 80 -2.044 -8.046 33.067 3 HG2 GLU 80 HG2 GLU 80 -0.831 -5.914 34.854 4 H GLU 80 HN GLU 80 -0.204 -9.605 32.353 5 HB3 GLU 80 HB1 GLU 80 -0.976 -8.374 34.425 6 HG3 GLU 80 HG1 GLU 80 -1.971 -5.645 33.537 No H/Q in entry = 6 In of MODEL 9 1 HA THR 81 HA THR 81 2.760 -7.109 35.851 2 HB THR 81 HB THR 81 4.066 -9.735 35.047 3 HG1 THR 81 HG1 THR 81 1.768 -9.522 36.709 4 HG23 THR 81 HG21 THR 81 5.139 -8.429 36.861 5 HG22 THR 81 HG22 THR 81 4.477 -9.947 37.470 6 HG21 THR 81 HG23 THR 81 3.620 -8.434 37.765 7 H THR 81 HN THR 81 1.496 -8.934 34.149 No H/Q in entry = 7 In of MODEL 9 1 HA LEU 82 HA LEU 82 6.319 -7.135 32.703 2 HB2 LEU 82 HB2 LEU 82 5.005 -8.644 30.410 3 HG LEU 82 HG LEU 82 4.878 -10.264 32.196 4 HD12 LEU 82 HD11 LEU 82 7.367 -10.840 30.569 5 HD11 LEU 82 HD12 LEU 82 5.699 -11.079 30.036 6 HD13 LEU 82 HD13 LEU 82 6.331 -12.019 31.383 7 HD22 LEU 82 HD21 LEU 82 6.339 -9.267 33.840 8 HD21 LEU 82 HD22 LEU 82 7.762 -9.629 32.858 9 HD23 LEU 82 HD23 LEU 82 6.795 -10.940 33.546 10 H LEU 82 HN LEU 82 3.645 -8.335 32.687 11 HB3 LEU 82 HB1 LEU 82 6.724 -8.374 30.687 No H/Q in entry = 11 In of MODEL 9 1 HA GLU 83 HA GLU 83 2.097 -4.884 30.416 2 HB2 GLU 83 HB2 GLU 83 4.723 -3.336 30.458 3 HG2 GLU 83 HG2 GLU 83 2.333 -2.986 32.286 4 H GLU 83 HN GLU 83 3.158 -6.283 31.841 5 HB3 GLU 83 HB1 GLU 83 3.153 -2.696 29.977 6 HG3 GLU 83 HG1 GLU 83 3.907 -3.621 32.772 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 84 HA GLU 84 3.989 -6.223 26.509 2 HB2 GLU 84 HB2 GLU 84 6.036 -6.770 27.976 3 HG2 GLU 84 HG2 GLU 84 7.232 -8.096 26.307 4 H GLU 84 HN GLU 84 3.191 -7.137 29.195 5 HB3 GLU 84 HB1 GLU 84 5.490 -8.439 27.971 6 HG3 GLU 84 HG1 GLU 84 5.704 -8.525 25.534 No H/Q in entry = 6 In of MODEL 9 1 HA ASP 85 HA ASP 85 1.590 -9.849 25.563 2 HB2 ASP 85 HB2 ASP 85 0.448 -9.415 23.531 3 H ASP 85 HN ASP 85 3.628 -7.819 24.840 4 HB3 ASP 85 HB1 ASP 85 0.933 -7.816 24.061 No H/Q in entry = 4 In of MODEL 9 1 HA VAL 86 HA VAL 86 3.952 -12.406 22.645 2 HB VAL 86 HB VAL 86 2.356 -14.545 24.183 3 H VAL 86 HN VAL 86 1.588 -11.835 24.353 No H/Q in entry = 3 In of MODEL 9 1 HA SER 87 HA SER 87 0.573 -12.255 19.782 2 HB2 SER 87 HB2 SER 87 3.112 -12.443 18.108 3 HG SER 87 HG SER 87 2.217 -10.479 19.619 4 H SER 87 HN SER 87 3.270 -12.230 20.625 5 HB3 SER 87 HB1 SER 87 1.505 -12.030 17.501 No H/Q in entry = 5 In of MODEL 9 1 HA LEU 88 HA LEU 88 -0.011 -16.656 19.597 2 HB2 LEU 88 HB2 LEU 88 -2.342 -15.617 19.794 3 HG LEU 88 HG LEU 88 -2.111 -18.111 18.079 4 HD11 LEU 88 HD11 LEU 88 -1.046 -18.305 20.278 5 HD13 LEU 88 HD12 LEU 88 -2.492 -19.302 20.190 6 HD12 LEU 88 HD13 LEU 88 -2.534 -17.769 21.067 7 HD22 LEU 88 HD21 LEU 88 -4.443 -18.584 18.692 8 HD21 LEU 88 HD22 LEU 88 -4.332 -17.083 17.779 9 HD23 LEU 88 HD23 LEU 88 -4.559 -17.035 19.530 10 H LEU 88 HN LEU 88 -0.709 -13.961 19.445 11 HB3 LEU 88 HB1 LEU 88 -2.400 -15.590 18.050 No H/Q in entry = 11 In of MODEL 9 1 HA ILE 89 HA ILE 89 -0.361 -16.499 14.735 2 HB ILE 89 HB ILE 89 0.460 -13.560 14.573 3 HD13 ILE 89 HD11 ILE 89 -3.693 -14.628 14.409 4 HD12 ILE 89 HD12 ILE 89 -2.547 -15.881 14.887 5 HD11 ILE 89 HD13 ILE 89 -2.634 -15.354 13.202 6 H ILE 89 HN ILE 89 -0.544 -14.606 16.791 No H/Q in entry = 6 In of MODEL 9 1 HA3 GLY 90 HA2 GLY 90 4.391 -15.283 14.955 2 H GLY 90 HN GLY 90 2.089 -14.524 16.362 3 HA2 GLY 90 HA1 GLY 90 4.343 -14.770 16.639 No H/Q in entry = 3 In of MODEL 9 1 HA LEU 91 HA LEU 91 4.697 -18.879 18.250 2 HB2 LEU 91 HB2 LEU 91 1.698 -18.851 18.777 3 HG LEU 91 HG LEU 91 2.865 -17.014 20.004 4 HD12 LEU 91 HD11 LEU 91 1.864 -19.269 21.773 5 HD11 LEU 91 HD12 LEU 91 0.874 -18.043 20.971 6 HD13 LEU 91 HD13 LEU 91 2.007 -17.571 22.237 7 HD23 LEU 91 HD21 LEU 91 4.483 -17.580 21.786 8 HD22 LEU 91 HD22 LEU 91 5.094 -17.987 20.186 9 HD21 LEU 91 HD23 LEU 91 4.488 -19.260 21.250 10 H LEU 91 HN LEU 91 2.794 -16.830 17.761 11 HB3 LEU 91 HB1 LEU 91 2.823 -20.013 19.468 No H/Q in entry = 11 In of MODEL 9 1 HA LEU 92 HA LEU 92 1.863 -21.382 15.251 2 HB2 LEU 92 HB2 LEU 92 0.568 -18.882 14.094 3 HG LEU 92 HG LEU 92 -0.275 -19.481 16.405 4 HD12 LEU 92 HD11 LEU 92 -2.295 -19.783 14.163 5 HD11 LEU 92 HD12 LEU 92 -1.702 -18.266 14.852 6 HD13 LEU 92 HD13 LEU 92 -2.658 -19.367 15.843 7 HD22 LEU 92 HD21 LEU 92 -1.630 -21.515 16.700 8 HD21 LEU 92 HD22 LEU 92 0.042 -21.910 16.320 9 HD23 LEU 92 HD23 LEU 92 -1.202 -22.053 15.073 10 H LEU 92 HN LEU 92 1.893 -18.661 16.140 11 HB3 LEU 92 HB1 LEU 92 0.205 -20.527 13.582 No H/Q in entry = 11 In of MODEL 9 1 HA GLU 93 HA GLU 93 4.312 -19.467 11.584 2 HB2 GLU 93 HB2 GLU 93 5.081 -16.943 13.125 3 HG2 GLU 93 HG2 GLU 93 2.755 -16.882 12.259 4 H GLU 93 HN GLU 93 3.394 -18.410 14.128 5 HB3 GLU 93 HB1 GLU 93 5.663 -17.327 11.506 6 HG3 GLU 93 HG1 GLU 93 3.815 -15.673 11.537 No H/Q in entry = 6 In of MODEL 9 1 HA3 GLY 94 HA2 GLY 94 7.322 -20.602 15.730 2 H GLY 94 HN GLY 94 5.403 -19.554 14.854 3 HA2 GLY 94 HA1 GLY 94 8.086 -20.558 14.145 No H/Q in entry = 3 In of MODEL 9 1 HA ARG 95 HA ARG 95 9.289 -16.240 15.057 2 HB2 ARG 95 HB2 ARG 95 7.794 -15.644 13.105 3 HG2 ARG 95 HG2 ARG 95 8.007 -13.345 15.066 4 HD2 ARG 95 HD2 ARG 95 8.085 -11.921 13.061 5 HE ARG 95 HE ARG 95 5.838 -12.250 13.933 6 HH11 ARG 95 HH11 ARG 95 6.540 -14.111 11.024 7 HH12 ARG 95 HH12 ARG 95 4.882 -14.169 10.518 8 HH21 ARG 95 HH21 ARG 95 3.658 -12.363 13.255 9 HH22 ARG 95 HH22 ARG 95 3.257 -13.183 11.777 10 H ARG 95 HN ARG 95 6.862 -17.620 14.333 11 HB3 ARG 95 HB1 ARG 95 6.549 -15.151 14.243 12 HG3 ARG 95 HG1 ARG 95 9.287 -13.863 13.966 13 HD3 ARG 95 HD1 ARG 95 7.849 -13.335 12.028 No H/Q in entry = 13 In of MODEL 9 1 HA ARG 96 HA ARG 96 7.198 -16.783 19.170 2 HB2 ARG 96 HB2 ARG 96 9.086 -17.436 20.749 3 HG2 ARG 96 HG2 ARG 96 10.720 -17.100 18.224 4 HD2 ARG 96 HD2 ARG 96 12.519 -18.441 19.278 5 HE ARG 96 HE ARG 96 10.541 -19.500 17.789 6 HH11 ARG 96 HH11 ARG 96 12.279 -20.811 20.548 7 HH12 ARG 96 HH12 ARG 96 12.116 -22.444 20.003 8 HH21 ARG 96 HH21 ARG 96 10.368 -21.679 17.098 9 HH22 ARG 96 HH22 ARG 96 11.053 -22.932 18.081 10 H ARG 96 HN ARG 96 9.175 -17.154 17.227 11 HB3 ARG 96 HB1 ARG 96 8.832 -18.513 19.384 12 HG3 ARG 96 HG1 ARG 96 11.095 -16.576 19.867 13 HD3 ARG 96 HD1 ARG 96 11.381 -18.968 20.513 No H/Q in entry = 13 In of MODEL 9 1 HA3 GLY 97 HA2 GLY 97 8.553 -12.450 19.612 2 H GLY 97 HN GLY 97 9.914 -14.745 18.310 3 HA2 GLY 97 HA1 GLY 97 10.315 -12.622 19.667 No H/Q in entry = 3 In of MODEL 9 1 HA SER 98 HA SER 98 8.874 -10.504 15.702 2 HB2 SER 98 HB2 SER 98 9.638 -8.134 15.604 3 HG SER 98 HG SER 98 10.248 -7.379 17.893 4 H SER 98 HN SER 98 9.461 -10.351 18.463 5 HB3 SER 98 HB1 SER 98 8.598 -8.406 17.000 No H/Q in entry = 5 In of MODEL 9 1 HA ALA 99 HA ALA 99 12.636 -11.747 13.809 2 HB1 ALA 99 HB1 ALA 99 11.264 -11.331 11.796 3 HB2 ALA 99 HB2 ALA 99 12.957 -10.925 11.504 4 HB3 ALA 99 HB3 ALA 99 11.775 -9.642 11.786 5 H ALA 99 HN ALA 99 10.302 -10.151 13.852 No H/Q in entry = 5 In of MODEL 9 1 HA LYS 100 HA LYS 100 14.802 -7.325 14.181 2 HB2 LYS 100 HB2 LYS 100 12.402 -6.424 15.831 3 HG2 LYS 100 HG2 LYS 100 13.438 -5.132 13.293 4 HD2 LYS 100 HD2 LYS 100 11.269 -3.992 13.270 5 HE2 LYS 100 HE2 LYS 100 12.576 -3.732 16.001 6 HZ1 LYS 100 HZ1 LYS 100 10.387 -2.714 15.946 7 HZ3 LYS 100 HZ2 LYS 100 10.811 -1.824 14.574 8 HZ2 LYS 100 HZ3 LYS 100 11.603 -1.545 16.039 9 H LYS 100 HN LYS 100 12.164 -8.284 14.191 10 HB3 LYS 100 HB1 LYS 100 13.878 -5.481 15.632 11 HG3 LYS 100 HG1 LYS 100 12.130 -6.316 13.299 12 HD3 LYS 100 HD1 LYS 100 10.761 -4.867 14.716 13 HE3 LYS 100 HE1 LYS 100 13.009 -2.821 14.553 No H/Q in entry = 13 In of MODEL 9 1 HA TRP 101 HA TRP 101 14.685 -8.192 18.981 2 HB2 TRP 101 HB2 TRP 101 12.307 -8.482 19.494 3 HD1 TRP 101 HD1 TRP 101 13.668 -8.217 21.875 4 HE1 TRP 101 HE1 TRP 101 14.119 -9.932 23.733 5 HE3 TRP 101 HE3 TRP 101 12.700 -12.508 19.278 6 HZ2 TRP 101 HZ2 TRP 101 14.077 -12.726 24.060 7 HZ3 TRP 101 HZ3 TRP 101 12.929 -14.668 20.437 8 HH2 TRP 101 HH2 TRP 101 13.603 -14.771 22.787 9 H TRP 101 HN TRP 101 12.792 -8.465 16.922 10 HB3 TRP 101 HB1 TRP 101 12.301 -10.089 18.775 No H/Q in entry = 10 In of MODEL 9 1 HA MET 102 HA MET 102 15.758 -12.792 18.155 2 HB2 MET 102 HB2 MET 102 14.388 -12.934 15.442 3 HG2 MET 102 HG2 MET 102 13.808 -14.398 18.027 4 HE3 MET 102 HE1 MET 102 11.389 -14.958 14.122 5 HE2 MET 102 HE2 MET 102 12.786 -13.885 14.194 6 HE1 MET 102 HE3 MET 102 11.330 -13.502 15.114 7 H MET 102 HN MET 102 13.962 -10.973 16.866 8 HB3 MET 102 HB1 MET 102 15.367 -14.239 16.103 9 HG3 MET 102 HG1 MET 102 12.802 -13.147 17.299 No H/Q in entry = 9 In of MODEL 9 1 HA ALA 103 HA ALA 103 18.607 -11.395 14.562 2 HB1 ALA 103 HB1 ALA 103 17.404 -8.607 14.379 3 HB3 ALA 103 HB2 ALA 103 17.105 -9.937 13.259 4 HB2 ALA 103 HB3 ALA 103 18.718 -9.238 13.376 5 H ALA 103 HN ALA 103 16.188 -10.324 15.742 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 104 HA GLU 104 20.528 -8.330 17.583 2 HB2 GLU 104 HB2 GLU 104 17.993 -7.322 18.942 3 HG2 GLU 104 HG2 GLU 104 19.368 -6.299 16.446 4 H GLU 104 HN GLU 104 17.734 -9.213 17.167 5 HB3 GLU 104 HB1 GLU 104 19.588 -6.559 18.950 6 HG3 GLU 104 HG1 GLU 104 17.717 -6.878 16.588 No H/Q in entry = 6 In of MODEL 9 1 HA HIS 105 HA HIS 105 19.802 -11.033 21.247 2 HB2 HIS 105 HB2 HIS 105 16.741 -11.190 21.191 3 HD1 HIS 105 HD1 HIS 105 18.834 -9.619 23.882 4 HD2 HIS 105 HD2 HIS 105 16.294 -8.463 20.801 5 HE1 HIS 105 HE1 HIS 105 18.421 -7.162 24.220 6 HE2 HIS 105 HE2 HIS 105 16.881 -6.488 22.353 7 H HIS 105 HN HIS 105 18.091 -10.357 18.929 8 HB3 HIS 105 HB1 HIS 105 17.784 -11.594 22.555 No H/Q in entry = 8 In of MODEL 9 1 HA PRO 106 HA PRO 106 19.700 -14.733 18.479 2 HB2 PRO 106 HB2 PRO 106 21.901 -15.905 19.748 3 HG2 PRO 106 HG2 PRO 106 22.317 -14.190 21.286 4 HD2 PRO 106 HD2 PRO 106 21.445 -12.015 20.992 5 HB3 PRO 106 HB1 PRO 106 21.989 -14.825 18.360 6 HG3 PRO 106 HG1 PRO 106 23.294 -13.630 19.910 7 HD3 PRO 106 HD1 PRO 106 21.670 -12.063 19.230 No H/Q in entry = 7 In of MODEL 9 1 HA LEU 107 HA LEU 107 17.619 -17.099 21.504 2 HB2 LEU 107 HB2 LEU 107 16.238 -17.392 19.451 3 HG LEU 107 HG LEU 107 16.641 -19.997 20.980 4 HD12 LEU 107 HD11 LEU 107 14.621 -17.780 21.413 5 HD11 LEU 107 HD12 LEU 107 16.011 -18.144 22.441 6 HD13 LEU 107 HD13 LEU 107 14.697 -19.306 22.296 7 HD23 LEU 107 HD21 LEU 107 14.407 -20.643 20.186 8 HD22 LEU 107 HD22 LEU 107 15.549 -20.458 18.854 9 HD21 LEU 107 HD23 LEU 107 14.347 -19.200 19.167 10 H LEU 107 HN LEU 107 18.772 -16.628 18.874 11 HB3 LEU 107 HB1 LEU 107 17.296 -18.694 18.926 No H/Q in entry = 11 In of MODEL 9 1 HA ALA 108 HA ALA 108 20.675 -20.042 22.722 2 HB1 ALA 108 HB1 ALA 108 19.966 -21.114 24.830 3 HB3 ALA 108 HB2 ALA 108 18.324 -20.504 24.602 4 HB2 ALA 108 HB3 ALA 108 19.658 -19.379 24.869 5 H ALA 108 HN ALA 108 18.193 -18.675 22.895 No H/Q in entry = 5 In of MODEL 9 1 HA SER 109 HA SER 109 19.384 -23.821 20.832 2 HB2 SER 109 HB2 SER 109 19.167 -21.923 18.444 3 HG SER 109 HG SER 109 17.665 -21.329 19.971 4 H SER 109 HN SER 109 20.669 -21.199 20.833 5 HB3 SER 109 HB1 SER 109 18.569 -23.585 18.512 No H/Q in entry = 5 In of MODEL 10 1 H1 MET 1 HT1 MET 1 -10.027 -4.359 -1.701 2 H2 MET 1 HT3 MET 1 -11.363 -3.440 -1.231 3 H3 MET 1 HT2 MET 1 -9.973 -2.672 -1.796 4 HB3 MET 1 HB1 MET 1 -9.994 -4.509 2.005 5 HG3 MET 1 HG1 MET 1 -12.361 -4.530 0.114 6 HA MET 1 HA MET 1 -10.089 -2.459 0.571 7 HB2 MET 1 HB2 MET 1 -10.118 -5.511 0.563 8 HG2 MET 1 HG2 MET 1 -12.234 -3.630 1.629 9 HE1 MET 1 HE1 MET 1 -14.674 -5.633 0.895 10 HE3 MET 1 HE2 MET 1 -14.608 -4.745 2.420 11 HE2 MET 1 HE3 MET 1 -14.875 -6.487 2.424 No H/Q in entry = 11 In of MODEL 10 1 HA GLU 2 HA GLU 2 -5.805 -4.473 -0.466 2 HB2 GLU 2 HB2 GLU 2 -6.288 -3.666 -3.367 3 HG2 GLU 2 HG2 GLU 2 -5.914 -6.426 -2.157 4 H GLU 2 HN GLU 2 -8.201 -3.746 -1.833 5 HB3 GLU 2 HB1 GLU 2 -4.769 -4.325 -2.758 6 HG3 GLU 2 HG1 GLU 2 -7.442 -5.763 -2.734 No H/Q in entry = 6 In of MODEL 10 1 HA VAL 3 HA VAL 3 -4.791 0.153 -1.634 2 HB VAL 3 HB VAL 3 -6.379 2.116 -1.332 3 H VAL 3 HN VAL 3 -7.108 -1.440 -1.621 No H/Q in entry = 3 In of MODEL 10 1 HA SER 4 HA SER 4 -4.185 0.180 2.777 2 HB2 SER 4 HB2 SER 4 -1.704 0.509 3.172 3 HG SER 4 HG SER 4 -1.460 1.706 1.082 4 H SER 4 HN SER 4 -3.428 0.467 -0.013 5 HB3 SER 4 HB1 SER 4 -2.099 -0.847 2.119 No H/Q in entry = 5 In of MODEL 10 1 HA ALA 5 HA ALA 5 -3.883 4.416 3.942 2 HB2 ALA 5 HB1 ALA 5 -5.836 5.762 3.256 3 HB1 ALA 5 HB2 ALA 5 -6.690 4.297 2.760 4 HB3 ALA 5 HB3 ALA 5 -5.227 4.799 1.911 5 H ALA 5 HN ALA 5 -5.237 1.857 3.635 No H/Q in entry = 5 In of MODEL 10 1 HA ASN 6 HA ASN 6 -5.240 4.141 8.006 2 HB2 ASN 6 HB2 ASN 6 -4.261 6.420 8.019 3 HD21 ASN 6 HD21 ASN 6 -3.944 5.602 10.140 4 HD22 ASN 6 HD22 ASN 6 -4.991 6.045 11.441 5 H ASN 6 HN ASN 6 -4.783 5.670 5.718 6 HB3 ASN 6 HB1 ASN 6 -5.825 7.101 7.582 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 7 HA GLU 7 -9.865 5.583 7.553 2 HB2 GLU 7 HB2 GLU 7 -11.145 6.010 5.454 3 HG2 GLU 7 HG2 GLU 7 -8.466 5.968 4.031 4 H GLU 7 HN GLU 7 -7.568 5.740 5.907 5 HB3 GLU 7 HB1 GLU 7 -9.808 7.133 5.686 6 HG3 GLU 7 HG1 GLU 7 -9.670 4.690 3.889 No H/Q in entry = 6 In of MODEL 10 1 HA LEU 8 HA LEU 8 -10.608 1.455 5.117 2 HB2 LEU 8 HB2 LEU 8 -7.631 1.117 4.734 3 HG LEU 8 HG LEU 8 -8.213 0.364 2.465 4 HD11 LEU 8 HD11 LEU 8 -10.371 -0.670 2.936 5 HD13 LEU 8 HD12 LEU 8 -10.479 0.473 1.601 6 HD12 LEU 8 HD13 LEU 8 -11.102 0.921 3.192 7 HD21 LEU 8 HD21 LEU 8 -7.767 2.742 2.814 8 HD23 LEU 8 HD22 LEU 8 -9.481 3.038 3.122 9 HD22 LEU 8 HD23 LEU 8 -8.948 2.493 1.529 10 H LEU 8 HN LEU 8 -8.377 3.190 5.418 11 HB3 LEU 8 HB1 LEU 8 -8.636 -0.313 4.742 No H/Q in entry = 11 In of MODEL 10 1 HA GLU 9 HA GLU 9 -7.616 0.750 9.497 2 HB2 GLU 9 HB2 GLU 9 -9.355 0.305 11.174 3 HG2 GLU 9 HG2 GLU 9 -11.476 0.961 9.130 4 H GLU 9 HN GLU 9 -8.324 1.922 7.689 5 HB3 GLU 9 HB1 GLU 9 -9.636 1.843 10.370 6 HG3 GLU 9 HG1 GLU 9 -11.089 -0.695 9.580 No H/Q in entry = 6 In of MODEL 10 1 HA ALA 10 HA ALA 10 -8.663 -3.360 7.389 2 HB1 ALA 10 HB1 ALA 10 -7.758 -2.388 5.329 3 HB3 ALA 10 HB2 ALA 10 -7.081 -3.993 5.624 4 HB2 ALA 10 HB3 ALA 10 -6.116 -2.549 5.953 5 H ALA 10 HN ALA 10 -7.389 -0.833 7.286 No H/Q in entry = 5 In of MODEL 10 1 HA ALA 11 HA ALA 11 -4.659 -4.526 9.901 2 HB1 ALA 11 HB1 ALA 11 -4.802 -1.886 11.402 3 HB2 ALA 11 HB2 ALA 11 -3.592 -2.325 10.197 4 HB3 ALA 11 HB3 ALA 11 -3.664 -3.201 11.727 5 H ALA 11 HN ALA 11 -5.947 -2.099 9.143 No H/Q in entry = 5 In of MODEL 10 1 HA SER 12 HA SER 12 -7.693 -4.260 13.658 2 HB2 SER 12 HB2 SER 12 -8.378 -1.842 13.517 3 HG SER 12 HG SER 12 -9.425 -3.381 14.991 4 H SER 12 HN SER 12 -7.269 -2.597 11.365 5 HB3 SER 12 HB1 SER 12 -9.640 -2.291 12.372 No H/Q in entry = 5 In of MODEL 10 1 HA SER 13 HA SER 13 -11.250 -5.954 10.741 2 HB2 SER 13 HB2 SER 13 -11.210 -4.258 8.908 3 HG SER 13 HG SER 13 -12.034 -5.588 7.380 4 H SER 13 HN SER 13 -9.279 -3.957 10.486 5 HB3 SER 13 HB1 SER 13 -9.807 -5.056 8.201 No H/Q in entry = 5 In of MODEL 10 1 HA ARG 14 HA ARG 14 -7.695 -8.783 8.950 2 HB2 ARG 14 HB2 ARG 14 -5.894 -7.202 8.454 3 HG2 ARG 14 HG2 ARG 14 -3.872 -8.428 9.071 4 HD2 ARG 14 HD2 ARG 14 -4.433 -10.702 8.309 5 HE ARG 14 HE ARG 14 -5.648 -8.485 6.811 6 HH11 ARG 14 HH11 ARG 14 -4.155 -11.675 6.738 7 HH12 ARG 14 HH12 ARG 14 -4.070 -11.708 5.008 8 HH21 ARG 14 HH21 ARG 14 -5.535 -8.557 4.569 9 HH22 ARG 14 HH22 ARG 14 -4.870 -9.949 3.782 10 H ARG 14 HN ARG 14 -7.843 -6.094 9.782 11 HB3 ARG 14 HB1 ARG 14 -5.543 -7.007 10.162 12 HG3 ARG 14 HG1 ARG 14 -4.760 -9.332 10.297 13 HD3 ARG 14 HD1 ARG 14 -6.146 -10.368 8.528 No H/Q in entry = 13 In of MODEL 10 1 HA MET 15 HA MET 15 -6.312 -9.585 13.501 2 HB2 MET 15 HB2 MET 15 -7.602 -7.044 14.579 3 HG2 MET 15 HG2 MET 15 -5.428 -6.532 13.720 4 HE2 MET 15 HE1 MET 15 -2.556 -7.054 15.244 5 HE1 MET 15 HE2 MET 15 -2.692 -6.839 13.498 6 HE3 MET 15 HE3 MET 15 -1.847 -8.243 14.154 7 H MET 15 HN MET 15 -7.107 -7.274 12.130 8 HB3 MET 15 HB1 MET 15 -6.962 -8.330 15.608 9 HG3 MET 15 HG1 MET 15 -5.253 -6.690 15.473 No H/Q in entry = 9 In of MODEL 10 1 HA GLU 16 HA GLU 16 -11.039 -10.040 14.585 2 HB2 GLU 16 HB2 GLU 16 -11.880 -8.439 12.130 3 HG2 GLU 16 HG2 GLU 16 -12.306 -7.802 15.064 4 H GLU 16 HN GLU 16 -9.549 -8.173 13.088 5 HB3 GLU 16 HB1 GLU 16 -12.990 -9.287 13.209 6 HG3 GLU 16 HG1 GLU 16 -11.198 -6.959 13.977 No H/Q in entry = 6 In of MODEL 10 1 HA MET 17 HA MET 17 -11.351 -12.431 10.377 2 HB2 MET 17 HB2 MET 17 -8.942 -11.012 9.203 3 HG2 MET 17 HG2 MET 17 -11.760 -11.460 8.181 4 HE1 MET 17 HE1 MET 17 -8.111 -10.122 7.292 5 HE3 MET 17 HE2 MET 17 -9.136 -8.694 7.139 6 HE2 MET 17 HE3 MET 17 -8.416 -9.423 5.703 7 H MET 17 HN MET 17 -10.018 -10.057 11.155 8 HB3 MET 17 HB1 MET 17 -9.502 -12.541 8.540 9 HG3 MET 17 HG1 MET 17 -11.017 -9.925 8.625 No H/Q in entry = 9 In of MODEL 10 1 HA LEU 18 HA LEU 18 -7.143 -14.505 11.499 2 HB2 LEU 18 HB2 LEU 18 -6.413 -12.306 13.459 3 HG LEU 18 HG LEU 18 -6.036 -11.654 11.071 4 HD11 LEU 18 HD11 LEU 18 -4.597 -10.730 12.824 5 HD13 LEU 18 HD12 LEU 18 -3.732 -10.913 11.301 6 HD12 LEU 18 HD13 LEU 18 -3.467 -12.065 12.610 7 HD21 LEU 18 HD21 LEU 18 -5.693 -13.882 10.122 8 HD23 LEU 18 HD22 LEU 18 -4.149 -14.020 10.974 9 HD22 LEU 18 HD23 LEU 18 -4.361 -12.796 9.717 10 H LEU 18 HN LEU 18 -8.173 -11.887 11.808 11 HB3 LEU 18 HB1 LEU 18 -5.451 -13.755 13.193 No H/Q in entry = 11 In of MODEL 10 1 HA GLN 19 HA GLN 19 -8.953 -14.817 16.080 2 HB2 GLN 19 HB2 GLN 19 -11.046 -12.734 15.330 3 HG2 GLN 19 HG2 GLN 19 -9.130 -12.621 17.670 4 HE21 GLN 19 HE21 GLN 19 -8.740 -9.789 16.978 5 HE22 GLN 19 HE22 GLN 19 -10.174 -8.968 17.478 6 H GLN 19 HN GLN 19 -8.980 -12.886 14.027 7 HB3 GLN 19 HB1 GLN 19 -11.113 -13.674 16.818 8 HG3 GLN 19 HG1 GLN 19 -8.778 -11.880 16.109 No H/Q in entry = 8 In of MODEL 10 1 HA ARG 20 HA ARG 20 -13.005 -16.430 14.231 2 HB2 ARG 20 HB2 ARG 20 -14.534 -15.632 12.557 3 HG2 ARG 20 HG2 ARG 20 -12.144 -14.495 11.173 4 HD2 ARG 20 HD2 ARG 20 -13.359 -12.415 11.625 5 HE ARG 20 HE ARG 20 -15.753 -13.855 10.992 6 HH11 ARG 20 HH11 ARG 20 -14.280 -10.654 10.916 7 HH12 ARG 20 HH12 ARG 20 -15.800 -9.827 10.948 8 HH21 ARG 20 HH21 ARG 20 -17.735 -12.727 11.016 9 HH22 ARG 20 HH22 ARG 20 -17.741 -10.995 11.004 10 H ARG 20 HN ARG 20 -11.255 -14.265 13.411 11 HB3 ARG 20 HB1 ARG 20 -13.816 -14.211 13.299 12 HG3 ARG 20 HG1 ARG 20 -13.593 -15.233 10.495 13 HD3 ARG 20 HD1 ARG 20 -13.444 -12.851 9.919 No H/Q in entry = 13 In of MODEL 10 1 HA GLU 21 HA GLU 21 -11.120 -18.229 10.222 2 HB2 GLU 21 HB2 GLU 21 -9.814 -16.173 9.462 3 HG2 GLU 21 HG2 GLU 21 -8.107 -17.375 8.063 4 H GLU 21 HN GLU 21 -10.361 -16.051 11.992 5 HB3 GLU 21 HB1 GLU 21 -8.434 -16.795 10.345 6 HG3 GLU 21 HG1 GLU 21 -8.534 -18.865 8.906 No H/Q in entry = 6 In of MODEL 10 1 HA TYR 22 HA TYR 22 -7.520 -20.422 12.250 2 HB2 TYR 22 HB2 TYR 22 -6.060 -18.058 13.521 3 HD1 TYR 22 HD1 TYR 22 -6.134 -16.471 11.697 4 HD2 TYR 22 HD2 TYR 22 -4.875 -20.486 10.953 5 HE1 TYR 22 HE1 TYR 22 -5.345 -15.812 9.471 6 HE2 TYR 22 HE2 TYR 22 -4.076 -19.816 8.727 7 HH TYR 22 HH TYR 22 -4.652 -17.939 7.056 8 H TYR 22 HN TYR 22 -8.259 -17.596 12.289 9 HB3 TYR 22 HB1 TYR 22 -5.409 -19.680 13.282 No H/Q in entry = 9 In of MODEL 10 1 HA SER 23 HA SER 23 -9.071 -19.473 16.716 2 HB2 SER 23 HB2 SER 23 -6.175 -20.380 17.029 3 HG SER 23 HG SER 23 -7.303 -21.832 15.837 4 H SER 23 HN SER 23 -7.129 -18.245 15.033 5 HB3 SER 23 HB1 SER 23 -7.359 -20.515 18.330 No H/Q in entry = 5 In of MODEL 10 1 HA THR 24 HA THR 24 -7.404 -16.225 19.318 2 HB THR 24 HB THR 24 -9.168 -15.662 21.062 3 HG1 THR 24 HG1 THR 24 -10.817 -17.526 19.652 4 HG22 THR 24 HG21 THR 24 -10.194 -15.752 18.201 5 HG21 THR 24 HG22 THR 24 -9.180 -14.484 18.896 6 HG23 THR 24 HG23 THR 24 -10.821 -14.727 19.496 7 H THR 24 HN THR 24 -9.243 -18.437 18.662 No H/Q in entry = 7 In of MODEL 10 1 HA LEU 25 HA LEU 25 -5.794 -18.782 22.527 2 HB2 LEU 25 HB2 LEU 25 -4.285 -16.683 22.282 3 HG LEU 25 HG LEU 25 -4.327 -17.971 25.042 4 HD11 LEU 25 HD11 LEU 25 -4.130 -19.624 23.244 5 HD13 LEU 25 HD12 LEU 25 -2.630 -19.479 24.150 6 HD12 LEU 25 HD13 LEU 25 -2.768 -18.731 22.554 7 HD21 LEU 25 HD21 LEU 25 -2.124 -16.430 23.623 8 HD23 LEU 25 HD22 LEU 25 -1.961 -17.281 25.162 9 HD22 LEU 25 HD23 LEU 25 -3.034 -15.889 25.038 10 H LEU 25 HN LEU 25 -6.461 -16.203 21.411 11 HB3 LEU 25 HB1 LEU 25 -5.133 -16.046 23.679 No H/Q in entry = 11 In of MODEL 10 1 HA ARG 26 HA ARG 26 -9.100 -18.344 25.498 2 HB2 ARG 26 HB2 ARG 26 -9.884 -20.597 26.228 3 HG2 ARG 26 HG2 ARG 26 -7.813 -21.825 24.398 4 HD2 ARG 26 HD2 ARG 26 -10.066 -23.016 25.034 5 HE ARG 26 HE ARG 26 -9.681 -22.619 27.519 6 HH11 ARG 26 HH11 ARG 26 -8.628 -25.559 25.885 7 HH12 ARG 26 HH12 ARG 26 -8.596 -26.492 27.341 8 HH21 ARG 26 HH21 ARG 26 -9.661 -23.880 29.418 9 HH22 ARG 26 HH22 ARG 26 -9.196 -25.551 29.340 10 H ARG 26 HN ARG 26 -6.902 -19.784 24.167 11 HB3 ARG 26 HB1 ARG 26 -9.750 -20.453 24.477 12 HG3 ARG 26 HG1 ARG 26 -7.566 -21.720 26.138 13 HD3 ARG 26 HD1 ARG 26 -8.542 -23.912 25.115 No H/Q in entry = 13 In of MODEL 10 1 HA SER 27 HA SER 27 -6.126 -19.131 29.027 2 HB2 SER 27 HB2 SER 27 -6.220 -22.139 28.443 3 HG SER 27 HG SER 27 -8.132 -20.315 29.285 4 H SER 27 HN SER 27 -6.152 -20.141 26.290 5 HB3 SER 27 HB1 SER 27 -5.922 -21.419 30.026 No H/Q in entry = 5 In of MODEL 10 1 HA VAL 28 HA VAL 28 -1.866 -20.522 28.517 2 HB VAL 28 HB VAL 28 -1.713 -17.783 29.870 3 H VAL 28 HN VAL 28 -4.093 -19.265 29.994 No H/Q in entry = 3 In of MODEL 10 1 HA GLN 29 HA GLN 29 -0.723 -21.443 32.755 2 HB2 GLN 29 HB2 GLN 29 -0.680 -23.931 32.939 3 HG2 GLN 29 HG2 GLN 29 -1.172 -23.968 29.950 4 HE21 GLN 29 HE21 GLN 29 -2.862 -25.213 32.019 5 HE22 GLN 29 HE22 GLN 29 -2.793 -26.906 31.723 6 H GLN 29 HN GLN 29 -0.583 -21.702 29.816 7 HB3 GLN 29 HB1 GLN 29 -2.133 -23.367 32.115 8 HG3 GLN 29 HG1 GLN 29 0.321 -24.476 30.718 No H/Q in entry = 8 In of MODEL 10 1 HA TYR 30 HA TYR 30 3.652 -21.964 32.026 2 HB2 TYR 30 HB2 TYR 30 3.785 -19.877 33.358 3 HD1 TYR 30 HD1 TYR 30 5.409 -21.537 36.086 4 HD2 TYR 30 HD2 TYR 30 5.855 -20.674 31.929 5 HE1 TYR 30 HE1 TYR 30 7.816 -22.018 36.242 6 HE2 TYR 30 HE2 TYR 30 8.255 -21.147 32.088 7 HH TYR 30 HH TYR 30 9.656 -22.714 34.765 8 H TYR 30 HN TYR 30 1.294 -21.288 33.618 9 HB3 TYR 30 HB1 TYR 30 3.501 -20.782 34.844 No H/Q in entry = 9 In of MODEL 10 1 HA ARG 31 HA ARG 31 3.501 -25.911 34.167 2 HB2 ARG 31 HB2 ARG 31 4.555 -26.415 31.351 3 HG2 ARG 31 HG2 ARG 31 1.936 -27.270 32.622 4 HD2 ARG 31 HD2 ARG 31 1.368 -28.094 30.334 5 HE ARG 31 HE ARG 31 2.828 -29.544 32.115 6 HH11 ARG 31 HH11 ARG 31 2.797 -29.487 28.586 7 HH12 ARG 31 HH12 ARG 31 3.149 -31.179 28.452 8 HH21 ARG 31 HH21 ARG 31 3.308 -31.761 31.872 9 HH22 ARG 31 HH22 ARG 31 3.440 -32.450 30.289 10 H ARG 31 HN ARG 31 3.824 -24.146 31.884 11 HB3 ARG 31 HB1 ARG 31 4.392 -27.677 32.574 12 HG3 ARG 31 HG1 ARG 31 2.128 -26.039 31.373 13 HD3 ARG 31 HD1 ARG 31 3.034 -27.793 29.837 No H/Q in entry = 13 In of MODEL 10 1 HA SER 32 HA SER 32 7.735 -24.750 35.295 2 HB2 SER 32 HB2 SER 32 7.857 -24.980 37.822 3 HG SER 32 HG SER 32 6.174 -25.644 38.921 4 H SER 32 HN SER 32 4.962 -25.210 35.709 5 HB3 SER 32 HB1 SER 32 6.662 -23.818 37.248 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 33 HA GLU 33 7.773 -29.593 36.244 2 HB2 GLU 33 HB2 GLU 33 5.544 -29.835 34.173 3 HG2 GLU 33 HG2 GLU 33 4.505 -28.971 36.198 4 H GLU 33 HN GLU 33 5.881 -27.631 35.649 5 HB3 GLU 33 HB1 GLU 33 6.300 -31.151 35.076 6 HG3 GLU 33 HG1 GLU 33 4.074 -30.659 35.924 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 34 HA GLU 34 9.043 -29.360 31.676 2 HB2 GLU 34 HB2 GLU 34 7.073 -27.200 30.805 3 HG2 GLU 34 HG2 GLU 34 5.776 -29.101 31.625 4 H GLU 34 HN GLU 34 7.028 -27.923 33.253 5 HB3 GLU 34 HB1 GLU 34 8.015 -28.261 29.754 6 HG3 GLU 34 HG1 GLU 34 5.653 -28.914 29.873 No H/Q in entry = 6 In of MODEL 10 1 HA3 GLY 35 HA2 GLY 35 9.667 -24.380 33.480 2 H GLY 35 HN GLY 35 8.542 -26.368 33.333 3 HA2 GLY 35 HA1 GLY 35 11.002 -25.126 32.613 No H/Q in entry = 3 In of MODEL 10 1 HA VAL 36 HA VAL 36 8.534 -22.974 29.294 2 HB VAL 36 HB VAL 36 7.619 -24.194 27.468 3 H VAL 36 HN VAL 36 7.755 -25.010 31.302 No H/Q in entry = 3 In of MODEL 10 1 HA ILE 37 HA ILE 37 4.295 -21.681 29.885 2 HB ILE 37 HB ILE 37 5.254 -19.848 27.635 3 HD11 ILE 37 HD11 ILE 37 6.497 -17.675 28.393 4 HD13 ILE 37 HD12 ILE 37 6.856 -17.465 30.105 5 HD12 ILE 37 HD13 ILE 37 5.196 -17.308 29.531 6 H ILE 37 HN ILE 37 6.793 -21.849 28.350 No H/Q in entry = 6 In of MODEL 10 1 HA VAL 38 HA VAL 38 2.371 -23.485 26.276 2 HB VAL 38 HB VAL 38 0.884 -24.474 28.748 3 H VAL 38 HN VAL 38 2.465 -22.460 29.041 No H/Q in entry = 3 In of MODEL 10 1 HA PHE 39 HA PHE 39 -0.960 -20.554 25.971 2 HB2 PHE 39 HB2 PHE 39 0.352 -20.707 23.218 3 HD1 PHE 39 HD1 PHE 39 -0.086 -17.673 25.214 4 HD2 PHE 39 HD2 PHE 39 2.677 -20.726 24.066 5 HE1 PHE 39 HE1 PHE 39 1.779 -16.299 26.040 6 HE2 PHE 39 HE2 PHE 39 4.537 -19.365 24.897 7 HZ PHE 39 HZ PHE 39 4.086 -17.135 25.886 8 H PHE 39 HN PHE 39 1.218 -22.260 25.019 9 HB3 PHE 39 HB1 PHE 39 -0.785 -19.481 23.755 No H/Q in entry = 9 In of MODEL 10 1 HA ILE 40 HA ILE 40 -3.417 -24.005 24.425 2 HB ILE 40 HB ILE 40 -5.044 -22.820 26.727 3 HD11 ILE 40 HD11 ILE 40 -4.950 -25.340 28.533 4 HD13 ILE 40 HD12 ILE 40 -4.513 -23.728 29.107 5 HD12 ILE 40 HD13 ILE 40 -3.372 -25.060 29.271 6 H ILE 40 HN ILE 40 -2.690 -21.872 26.253 No H/Q in entry = 6 In of MODEL 10 1 HA LEU 41 HA LEU 41 -5.853 -21.169 22.010 2 HB2 LEU 41 HB2 LEU 41 -5.243 -23.639 20.344 3 HG LEU 41 HG LEU 41 -3.279 -22.188 20.709 4 HD13 LEU 41 HD11 LEU 41 -2.678 -21.662 18.392 5 HD12 LEU 41 HD12 LEU 41 -4.365 -21.837 17.897 6 HD11 LEU 41 HD13 LEU 41 -3.470 -23.234 18.495 7 HD23 LEU 41 HD21 LEU 41 -4.997 -19.948 19.604 8 HD22 LEU 41 HD22 LEU 41 -3.283 -19.851 20.002 9 HD21 LEU 41 HD23 LEU 41 -4.458 -20.123 21.276 10 H LEU 41 HN LEU 41 -4.615 -23.751 22.640 11 HB3 LEU 41 HB1 LEU 41 -6.154 -22.272 19.705 No H/Q in entry = 11 In of MODEL 10 1 HA ALA 42 HA ALA 42 -10.094 -22.225 22.161 2 HB3 ALA 42 HB1 ALA 42 -11.468 -21.406 20.277 3 HB1 ALA 42 HB2 ALA 42 -10.011 -21.226 19.292 4 HB2 ALA 42 HB3 ALA 42 -10.229 -20.234 20.736 5 H ALA 42 HN ALA 42 -7.909 -21.213 20.708 No H/Q in entry = 5 In of MODEL 10 1 HA ASN 43 HA ASN 43 -10.070 -25.881 19.141 2 HB2 ASN 43 HB2 ASN 43 -8.669 -26.528 17.283 3 HD21 ASN 43 HD21 ASN 43 -7.179 -23.382 17.630 4 HD22 ASN 43 HD22 ASN 43 -5.550 -23.935 17.549 5 H ASN 43 HN ASN 43 -8.294 -23.571 19.468 6 HB3 ASN 43 HB1 ASN 43 -8.936 -24.797 17.155 No H/Q in entry = 6 In of MODEL 10 1 HA ASP 44 HA ASP 44 -7.003 -26.068 23.173 2 HB2 ASP 44 HB2 ASP 44 -9.011 -27.624 22.983 3 H ASP 44 HN ASP 44 -8.013 -25.072 21.446 4 HB3 ASP 44 HB1 ASP 44 -7.997 -28.731 22.056 No H/Q in entry = 4 In of MODEL 10 1 HA ARG 45 HA ARG 45 -3.449 -27.585 20.563 2 HB2 ARG 45 HB2 ARG 45 -3.924 -26.425 18.493 3 HG2 ARG 45 HG2 ARG 45 -1.319 -25.264 19.546 4 HD2 ARG 45 HD2 ARG 45 -2.112 -25.917 16.687 5 HE ARG 45 HE ARG 45 0.229 -24.344 17.559 6 HH11 ARG 45 HH11 ARG 45 -1.001 -27.101 15.728 7 HH12 ARG 45 HH12 ARG 45 0.541 -27.444 15.010 8 HH21 ARG 45 HH21 ARG 45 2.214 -24.789 16.573 9 HH22 ARG 45 HH22 ARG 45 2.352 -26.125 15.478 10 H ARG 45 HN ARG 45 -5.570 -25.606 20.658 11 HB3 ARG 45 HB1 ARG 45 -3.733 -24.852 19.259 12 HG3 ARG 45 HG1 ARG 45 -1.500 -26.874 18.842 13 HD3 ARG 45 HD1 ARG 45 -2.133 -24.291 17.371 No H/Q in entry = 13 In of MODEL 10 1 HA GLU 46 HA GLU 46 -1.268 -25.585 23.890 2 HB2 GLU 46 HB2 GLU 46 0.039 -28.318 23.518 3 HG2 GLU 46 HG2 GLU 46 -1.209 -28.859 25.702 4 H GLU 46 HN GLU 46 -1.842 -27.683 21.959 5 HB3 GLU 46 HB1 GLU 46 0.252 -27.249 24.894 6 HG3 GLU 46 HG1 GLU 46 -2.282 -27.532 25.280 No H/Q in entry = 6 In of MODEL 10 1 HA LEU 47 HA LEU 47 2.208 -24.481 21.251 2 HB2 LEU 47 HB2 LEU 47 0.788 -21.979 22.123 3 HG LEU 47 HG LEU 47 0.021 -23.103 20.023 4 HD11 LEU 47 HD11 LEU 47 -0.248 -20.674 20.238 5 HD13 LEU 47 HD12 LEU 47 0.061 -21.132 18.566 6 HD12 LEU 47 HD13 LEU 47 1.352 -20.421 19.539 7 HD23 LEU 47 HD21 LEU 47 2.830 -22.521 19.002 8 HD22 LEU 47 HD22 LEU 47 1.491 -23.187 18.059 9 HD21 LEU 47 HD23 LEU 47 2.184 -24.121 19.384 10 H LEU 47 HN LEU 47 -0.057 -23.919 23.018 11 HB3 LEU 47 HB1 LEU 47 2.409 -21.854 21.453 No H/Q in entry = 11 In of MODEL 10 1 HA LYS 48 HA LYS 48 4.689 -24.519 24.893 2 HB2 LYS 48 HB2 LYS 48 4.492 -26.855 24.019 3 HG2 LYS 48 HG2 LYS 48 7.336 -26.198 24.838 4 HD2 LYS 48 HD2 LYS 48 5.860 -28.860 24.783 5 HE2 LYS 48 HE2 LYS 48 8.109 -29.781 25.560 6 HZ3 LYS 48 HZ1 LYS 48 7.652 -29.390 27.891 7 HZ2 LYS 48 HZ2 LYS 48 6.223 -29.703 27.047 8 HZ1 LYS 48 HZ3 LYS 48 6.600 -28.121 27.502 9 H LYS 48 HN LYS 48 4.097 -24.931 22.027 10 HB3 LYS 48 HB1 LYS 48 5.796 -26.540 22.882 11 HG3 LYS 48 HG1 LYS 48 6.000 -26.623 25.917 12 HD3 LYS 48 HD1 LYS 48 7.262 -28.422 23.806 13 HE3 LYS 48 HE1 LYS 48 8.525 -28.136 26.027 No H/Q in entry = 13 In of MODEL 10 1 HA PHE 49 HA PHE 49 8.389 -22.393 23.627 2 HB2 PHE 49 HB2 PHE 49 6.333 -20.183 24.127 3 HD1 PHE 49 HD1 PHE 49 8.616 -20.424 21.249 4 HD2 PHE 49 HD2 PHE 49 4.624 -21.127 22.618 5 HE1 PHE 49 HE1 PHE 49 7.854 -20.679 18.921 6 HE2 PHE 49 HE2 PHE 49 3.878 -21.381 20.285 7 HZ PHE 49 HZ PHE 49 5.489 -21.158 18.437 8 H PHE 49 HN PHE 49 5.840 -22.701 25.093 9 HB3 PHE 49 HB1 PHE 49 7.975 -19.899 23.562 No H/Q in entry = 9 In of MODEL 10 1 HA ARG 50 HA ARG 50 9.632 -21.751 27.865 2 HB2 ARG 50 HB2 ARG 50 12.139 -21.516 26.167 3 HG2 ARG 50 HG2 ARG 50 12.893 -23.531 27.465 4 HD2 ARG 50 HD2 ARG 50 11.650 -25.195 26.205 5 HE ARG 50 HE ARG 50 12.645 -22.849 24.867 6 HH11 ARG 50 HH11 ARG 50 11.054 -25.919 24.276 7 HH12 ARG 50 HH12 ARG 50 11.543 -25.988 22.623 8 HH21 ARG 50 HH21 ARG 50 13.264 -22.950 22.698 9 HH22 ARG 50 HH22 ARG 50 12.812 -24.321 21.728 10 H ARG 50 HN ARG 50 10.068 -21.891 25.013 11 HB3 ARG 50 HB1 ARG 50 12.173 -21.320 27.909 12 HG3 ARG 50 HG1 ARG 50 11.258 -23.676 28.115 13 HD3 ARG 50 HD1 ARG 50 10.370 -24.023 25.859 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 51 HA PRO 51 9.591 -17.271 28.580 2 HB2 PRO 51 HB2 PRO 51 11.913 -17.755 30.445 3 HG2 PRO 51 HG2 PRO 51 10.665 -19.246 31.773 4 HD2 PRO 51 HD2 PRO 51 11.292 -20.548 29.927 5 HB3 PRO 51 HB1 PRO 51 10.431 -16.821 30.717 6 HG3 PRO 51 HG1 PRO 51 9.125 -18.764 31.028 7 HD3 PRO 51 HD1 PRO 51 9.525 -20.717 29.817 No H/Q in entry = 7 In of MODEL 10 1 HA ASP 52 HA ASP 52 14.070 -16.304 27.176 2 HB2 ASP 52 HB2 ASP 52 15.997 -17.839 26.540 3 H ASP 52 HN ASP 52 12.830 -18.724 28.100 4 HB3 ASP 52 HB1 ASP 52 15.517 -17.906 28.229 No H/Q in entry = 4 In of MODEL 10 1 HA ASP 53 HA ASP 53 12.885 -18.214 22.902 2 HB2 ASP 53 HB2 ASP 53 10.259 -19.185 24.113 3 H ASP 53 HN ASP 53 12.081 -18.635 25.624 4 HB3 ASP 53 HB1 ASP 53 10.504 -19.025 22.378 No H/Q in entry = 4 In of MODEL 10 1 HA LEU 54 HA LEU 54 9.386 -15.101 22.940 2 HB2 LEU 54 HB2 LEU 54 8.619 -15.354 25.867 3 HG LEU 54 HG LEU 54 8.520 -17.571 24.699 4 HD13 LEU 54 HD11 LEU 54 6.239 -18.125 25.348 5 HD12 LEU 54 HD12 LEU 54 5.818 -16.412 25.425 6 HD11 LEU 54 HD13 LEU 54 7.005 -17.084 26.549 7 HD21 LEU 54 HD21 LEU 54 6.533 -16.192 22.853 8 HD23 LEU 54 HD22 LEU 54 6.847 -17.928 22.913 9 HD22 LEU 54 HD23 LEU 54 8.121 -16.823 22.406 10 H LEU 54 HN LEU 54 10.744 -16.544 25.137 11 HB3 LEU 54 HB1 LEU 54 7.625 -14.661 24.586 No H/Q in entry = 11 In of MODEL 10 1 HA GLN 55 HA GLN 55 11.356 -11.322 23.980 2 HB2 GLN 55 HB2 GLN 55 10.458 -10.832 21.750 3 HG2 GLN 55 HG2 GLN 55 9.661 -8.550 23.576 4 HE21 GLN 55 HE21 GLN 55 11.826 -8.408 20.862 5 HE22 GLN 55 HE22 GLN 55 10.804 -7.466 19.840 6 H GLN 55 HN GLN 55 9.390 -12.946 22.764 7 HB3 GLN 55 HB1 GLN 55 8.855 -10.547 22.421 8 HG3 GLN 55 HG1 GLN 55 11.305 -8.853 23.015 No H/Q in entry = 8 In of MODEL 10 1 HA ALA 56 HA ALA 56 7.522 -9.882 26.638 2 HB3 ALA 56 HB1 ALA 56 5.738 -11.271 27.637 3 HB1 ALA 56 HB2 ALA 56 6.364 -12.687 26.786 4 HB2 ALA 56 HB3 ALA 56 5.683 -11.347 25.871 5 H ALA 56 HN ALA 56 7.977 -11.963 24.815 No H/Q in entry = 5 In of MODEL 10 1 HA THR 57 HA THR 57 8.997 -12.667 30.004 2 HB THR 57 HB THR 57 8.904 -15.181 30.045 3 HG1 THR 57 HG1 THR 57 9.695 -15.112 27.646 4 HG22 THR 57 HG21 THR 57 6.732 -13.852 28.409 5 HG21 THR 57 HG22 THR 57 6.857 -13.771 30.161 6 HG23 THR 57 HG23 THR 57 6.561 -15.318 29.377 7 H THR 57 HN THR 57 8.938 -13.072 27.086 No H/Q in entry = 7 In of MODEL 10 1 HA TYR 58 HA TYR 58 13.374 -13.897 28.521 2 HB2 TYR 58 HB2 TYR 58 13.059 -12.818 26.210 3 HD1 TYR 58 HD1 TYR 58 14.810 -14.666 26.250 4 HD2 TYR 58 HD2 TYR 58 15.746 -10.632 27.319 5 HE1 TYR 58 HE1 TYR 58 17.197 -15.130 25.914 6 HE2 TYR 58 HE2 TYR 58 18.139 -11.099 26.970 7 HH TYR 58 HH TYR 58 19.251 -13.942 25.416 8 H TYR 58 HN TYR 58 11.139 -12.399 27.592 9 HB3 TYR 58 HB1 TYR 58 13.433 -11.272 26.966 No H/Q in entry = 9 In of MODEL 10 1 HA3 GLY 59 HA2 GLY 59 14.751 -12.662 32.525 2 H GLY 59 HN GLY 59 13.774 -13.653 30.663 3 HA2 GLY 59 HA1 GLY 59 14.693 -11.096 31.731 No H/Q in entry = 3 In of MODEL 10 1 HA ALA 60 HA ALA 60 10.754 -11.543 34.199 2 HB1 ALA 60 HB1 ALA 60 9.304 -13.178 32.078 3 HB2 ALA 60 HB2 ALA 60 9.543 -11.429 32.044 4 HB3 ALA 60 HB3 ALA 60 8.545 -12.158 33.305 5 H ALA 60 HN ALA 60 11.991 -13.363 32.198 No H/Q in entry = 5 In of MODEL 10 1 HA THR 61 HA THR 61 10.905 -15.147 36.697 2 HB THR 61 HB THR 61 9.879 -14.586 38.962 3 HG1 THR 61 HG1 THR 61 9.136 -12.447 39.208 4 HG22 THR 61 HG21 THR 61 11.763 -12.482 37.847 5 HG21 THR 61 HG22 THR 61 12.250 -14.042 38.519 6 HG23 THR 61 HG23 THR 61 11.482 -12.837 39.555 7 H THR 61 HN THR 61 9.962 -12.501 36.040 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 62 HA PRO 62 7.323 -17.706 36.017 2 HB2 PRO 62 HB2 PRO 62 7.173 -19.217 38.367 3 HG2 PRO 62 HG2 PRO 62 8.764 -18.008 39.599 4 HD2 PRO 62 HD2 PRO 62 10.345 -16.614 38.562 5 HB3 PRO 62 HB1 PRO 62 8.295 -19.530 37.035 6 HG3 PRO 62 HG1 PRO 62 9.803 -19.217 38.809 7 HD3 PRO 62 HD1 PRO 62 10.535 -17.697 37.165 No H/Q in entry = 7 In of MODEL 10 1 HA GLU 63 HA GLU 63 4.507 -16.183 39.659 2 HB2 GLU 63 HB2 GLU 63 4.794 -14.156 41.116 3 HG2 GLU 63 HG2 GLU 63 6.978 -13.439 39.551 4 H GLU 63 HN GLU 63 7.289 -15.907 39.100 5 HB3 GLU 63 HB1 GLU 63 5.929 -15.452 41.447 6 HG3 GLU 63 HG1 GLU 63 6.568 -12.773 41.135 No H/Q in entry = 6 In of MODEL 10 1 HA GLN 64 HA GLN 64 4.148 -12.168 37.014 2 HB2 GLN 64 HB2 GLN 64 6.780 -12.651 35.555 3 HG2 GLN 64 HG2 GLN 64 6.065 -10.564 37.629 4 HE21 GLN 64 HE21 GLN 64 8.320 -11.480 35.086 5 HE22 GLN 64 HE22 GLN 64 9.257 -10.036 35.153 6 H GLN 64 HN GLN 64 6.332 -13.914 37.680 7 HB3 GLN 64 HB1 GLN 64 5.687 -11.300 35.277 8 HG3 GLN 64 HG1 GLN 64 7.242 -11.857 37.814 No H/Q in entry = 8 In of MODEL 10 1 HA LEU 65 HA LEU 65 3.527 -15.319 33.489 2 HB2 LEU 65 HB2 LEU 65 5.324 -17.506 34.689 3 HG LEU 65 HG LEU 65 6.828 -15.629 34.306 4 HD11 LEU 65 HD11 LEU 65 7.673 -17.822 33.677 5 HD13 LEU 65 HD12 LEU 65 8.347 -16.569 32.639 6 HD12 LEU 65 HD13 LEU 65 7.060 -17.617 32.034 7 HD23 LEU 65 HD21 LEU 65 7.010 -14.502 32.123 8 HD22 LEU 65 HD22 LEU 65 5.449 -14.238 32.888 9 HD21 LEU 65 HD23 LEU 65 5.588 -15.383 31.549 10 H LEU 65 HN LEU 65 5.156 -15.262 35.980 11 HB3 LEU 65 HB1 LEU 65 4.706 -17.408 33.041 No H/Q in entry = 11 In of MODEL 10 1 HA ARG 66 HA ARG 66 0.588 -17.402 36.120 2 HB2 ARG 66 HB2 ARG 66 1.292 -15.835 38.646 3 HG2 ARG 66 HG2 ARG 66 1.944 -18.673 37.832 4 HD2 ARG 66 HD2 ARG 66 2.663 -19.053 40.179 5 HE ARG 66 HE ARG 66 0.030 -19.190 39.326 6 HH11 ARG 66 HH11 ARG 66 1.608 -18.808 42.447 7 HH12 ARG 66 HH12 ARG 66 0.354 -19.642 43.300 8 HH21 ARG 66 HH21 ARG 66 -1.599 -20.279 40.472 9 HH22 ARG 66 HH22 ARG 66 -1.453 -20.478 42.187 10 H ARG 66 HN ARG 66 2.619 -15.272 36.451 11 HB3 ARG 66 HB1 ARG 66 0.032 -17.067 38.512 12 HG3 ARG 66 HG1 ARG 66 3.038 -17.418 38.419 13 HD3 ARG 66 HD1 ARG 66 1.916 -17.518 40.641 No H/Q in entry = 13 In of MODEL 10 1 HA GLU 67 HA GLU 67 -1.649 -13.263 36.588 2 HB2 GLU 67 HB2 GLU 67 0.654 -11.281 36.649 3 HG2 GLU 67 HG2 GLU 67 1.050 -12.678 38.579 4 H GLU 67 HN GLU 67 1.164 -13.945 36.800 5 HB3 GLU 67 HB1 GLU 67 -1.023 -11.008 37.119 6 HG3 GLU 67 HG1 GLU 67 0.404 -11.117 39.078 No H/Q in entry = 6 In of MODEL 10 1 HA ILE 68 HA ILE 68 -0.951 -12.680 32.227 2 HB ILE 68 HB ILE 68 -1.719 -15.610 32.676 3 HD11 ILE 68 HD11 ILE 68 0.609 -16.831 31.141 4 HD13 ILE 68 HD12 ILE 68 0.315 -17.211 32.844 5 HD12 ILE 68 HD13 ILE 68 1.892 -16.619 32.329 6 H ILE 68 HN ILE 68 -2.146 -13.979 34.599 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 69 HA GLU 69 -5.221 -12.919 30.742 2 HB2 GLU 69 HB2 GLU 69 -5.042 -10.730 31.991 3 HG2 GLU 69 HG2 GLU 69 -6.501 -10.468 29.346 4 H GLU 69 HN GLU 69 -2.410 -12.022 30.674 5 HB3 GLU 69 HB1 GLU 69 -4.373 -9.980 30.547 6 HG3 GLU 69 HG1 GLU 69 -7.161 -11.160 30.827 No H/Q in entry = 6 In of MODEL 10 1 HA ILE 70 HA ILE 70 -4.574 -13.155 26.400 2 HB ILE 70 HB ILE 70 -7.555 -12.494 26.386 3 HD12 ILE 70 HD11 ILE 70 -4.991 -15.140 27.245 4 HD11 ILE 70 HD12 ILE 70 -5.613 -15.729 25.699 5 HD13 ILE 70 HD13 ILE 70 -6.150 -16.469 27.205 6 H ILE 70 HN ILE 70 -6.285 -12.589 28.623 No H/Q in entry = 6 In of MODEL 10 1 HA SER 71 HA SER 71 -3.222 -9.385 24.927 2 HB2 SER 71 HB2 SER 71 -2.955 -9.227 22.441 3 HG SER 71 HG SER 71 -4.552 -11.582 22.412 4 H SER 71 HN SER 71 -4.308 -11.893 24.443 5 HB3 SER 71 HB1 SER 71 -2.496 -10.811 23.071 No H/Q in entry = 5 In of MODEL 10 1 HA PRO 72 HA PRO 72 -6.470 -6.282 24.120 2 HB2 PRO 72 HB2 PRO 72 -5.020 -4.272 22.951 3 HG2 PRO 72 HG2 PRO 72 -3.087 -5.551 22.442 4 HD2 PRO 72 HD2 PRO 72 -2.536 -7.477 23.667 5 HB3 PRO 72 HB1 PRO 72 -4.911 -4.650 24.681 6 HG3 PRO 72 HG1 PRO 72 -2.656 -4.814 24.004 7 HD3 PRO 72 HD1 PRO 72 -3.099 -6.784 25.205 No H/Q in entry = 7 In of MODEL 10 1 HA SER 73 HA SER 73 -6.320 -6.956 19.424 2 HB2 SER 73 HB2 SER 73 -4.148 -9.098 19.474 3 HG SER 73 HG SER 73 -3.963 -6.367 18.714 4 H SER 73 HN SER 73 -4.586 -7.775 21.623 5 HB3 SER 73 HB1 SER 73 -4.878 -8.370 18.041 No H/Q in entry = 5 In of MODEL 10 1 HA3 GLY 74 HA2 GLY 74 -7.747 -11.022 22.448 2 H GLY 74 HN GLY 74 -6.312 -9.325 21.887 3 HA2 GLY 74 HA1 GLY 74 -8.703 -10.664 21.027 No H/Q in entry = 3 In of MODEL 10 1 HA LEU 75 HA LEU 75 -6.051 -13.765 18.997 2 HB2 LEU 75 HB2 LEU 75 -3.827 -11.730 18.580 3 HG LEU 75 HG LEU 75 -6.045 -11.236 17.437 4 HD11 LEU 75 HD11 LEU 75 -3.695 -11.830 15.617 5 HD13 LEU 75 HD12 LEU 75 -3.961 -10.345 16.532 6 HD12 LEU 75 HD13 LEU 75 -5.064 -10.782 15.228 7 HD23 LEU 75 HD21 LEU 75 -5.414 -13.790 15.913 8 HD22 LEU 75 HD22 LEU 75 -6.706 -12.647 15.535 9 HD21 LEU 75 HD23 LEU 75 -6.755 -13.559 17.041 10 H LEU 75 HN LEU 75 -5.539 -11.112 20.099 11 HB3 LEU 75 HB1 LEU 75 -3.845 -13.312 17.803 No H/Q in entry = 11 In of MODEL 10 1 HA3 GLY 76 HA2 GLY 76 -2.250 -14.830 21.444 2 H GLY 76 HN GLY 76 -3.193 -12.217 20.496 3 HA2 GLY 76 HA1 GLY 76 -1.324 -13.335 21.339 No H/Q in entry = 3 In of MODEL 10 1 HA VAL 77 HA VAL 77 -2.575 -12.873 25.528 2 HB VAL 77 HB VAL 77 -0.813 -14.879 25.364 3 H VAL 77 HN VAL 77 -0.683 -12.807 23.274 No H/Q in entry = 3 In of MODEL 10 1 HA TYR 78 HA TYR 78 0.298 -9.585 26.871 2 HB2 TYR 78 HB2 TYR 78 -1.781 -8.424 26.184 3 HD1 TYR 78 HD1 TYR 78 -2.471 -7.576 29.622 4 HD2 TYR 78 HD2 TYR 78 0.253 -6.826 26.415 5 HE1 TYR 78 HE1 TYR 78 -1.696 -5.543 30.764 6 HE2 TYR 78 HE2 TYR 78 1.025 -4.787 27.553 7 HH TYR 78 HH TYR 78 0.174 -4.064 30.826 8 H TYR 78 HN TYR 78 -1.720 -11.612 27.348 9 HB3 TYR 78 HB1 TYR 78 -2.589 -8.935 27.661 No H/Q in entry = 9 In of MODEL 10 1 HA PHE 79 HA PHE 79 0.610 -11.185 31.021 2 HB2 PHE 79 HB2 PHE 79 3.454 -10.689 30.059 3 HD1 PHE 79 HD1 PHE 79 0.641 -12.971 29.998 4 HD2 PHE 79 HD2 PHE 79 4.766 -12.710 29.552 5 HE1 PHE 79 HE1 PHE 79 0.698 -15.165 28.954 6 HE2 PHE 79 HE2 PHE 79 4.751 -14.918 28.494 7 HZ PHE 79 HZ PHE 79 2.738 -16.156 28.199 8 H PHE 79 HN PHE 79 1.633 -10.157 28.487 9 HB3 PHE 79 HB1 PHE 79 3.018 -11.468 31.577 No H/Q in entry = 9 In of MODEL 10 1 HA GLU 80 HA GLU 80 0.212 -7.089 32.272 2 HB2 GLU 80 HB2 GLU 80 -1.712 -8.283 33.300 3 HG2 GLU 80 HG2 GLU 80 -0.490 -6.136 35.058 4 H GLU 80 HN GLU 80 0.262 -9.928 32.755 5 HB3 GLU 80 HB1 GLU 80 -0.731 -8.629 34.721 6 HG3 GLU 80 HG1 GLU 80 -1.636 -5.897 33.742 No H/Q in entry = 6 In of MODEL 10 1 HA THR 81 HA THR 81 2.817 -7.180 36.334 2 HB THR 81 HB THR 81 4.220 -9.851 36.018 3 HG1 THR 81 HG1 THR 81 1.674 -9.421 37.224 4 HG23 THR 81 HG21 THR 81 4.312 -9.769 38.476 5 HG22 THR 81 HG22 THR 81 3.427 -8.242 38.484 6 HG21 THR 81 HG23 THR 81 5.049 -8.322 37.786 7 H THR 81 HN THR 81 1.891 -9.214 34.575 No H/Q in entry = 7 In of MODEL 10 1 HA LEU 82 HA LEU 82 6.487 -6.689 33.522 2 HB2 LEU 82 HB2 LEU 82 7.055 -8.045 31.317 3 HG LEU 82 HG LEU 82 4.761 -9.282 31.264 4 HD12 LEU 82 HD11 LEU 82 7.293 -10.951 31.123 5 HD11 LEU 82 HD12 LEU 82 6.666 -9.913 29.838 6 HD13 LEU 82 HD13 LEU 82 5.741 -11.321 30.355 7 HD21 LEU 82 HD21 LEU 82 6.105 -10.935 33.424 8 HD23 LEU 82 HD22 LEU 82 4.634 -11.373 32.550 9 HD22 LEU 82 HD23 LEU 82 4.639 -9.968 33.610 10 H LEU 82 HN LEU 82 3.952 -8.210 33.281 11 HB3 LEU 82 HB1 LEU 82 7.284 -8.788 32.888 No H/Q in entry = 11 In of MODEL 10 1 HA GLU 83 HA GLU 83 2.182 -5.499 30.762 2 HB2 GLU 83 HB2 GLU 83 4.467 -3.514 31.105 3 HG2 GLU 83 HG2 GLU 83 1.711 -3.576 32.373 4 H GLU 83 HN GLU 83 3.374 -6.664 32.267 5 HB3 GLU 83 HB1 GLU 83 2.953 -3.142 30.282 6 HG3 GLU 83 HG1 GLU 83 3.230 -3.939 33.200 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 84 HA GLU 84 4.687 -6.395 27.064 2 HB2 GLU 84 HB2 GLU 84 6.603 -6.948 28.806 3 HG2 GLU 84 HG2 GLU 84 8.100 -7.945 27.099 4 H GLU 84 HN GLU 84 3.951 -7.462 29.729 5 HB3 GLU 84 HB1 GLU 84 6.239 -8.627 28.438 6 HG3 GLU 84 HG1 GLU 84 6.710 -8.187 26.055 No H/Q in entry = 6 In of MODEL 10 1 HA ASP 85 HA ASP 85 2.100 -9.803 26.011 2 HB2 ASP 85 HB2 ASP 85 0.856 -9.157 24.040 3 H ASP 85 HN ASP 85 4.020 -7.649 25.350 4 HB3 ASP 85 HB1 ASP 85 1.236 -7.680 24.917 No H/Q in entry = 4 In of MODEL 10 1 HA VAL 86 HA VAL 86 4.083 -12.106 22.640 2 HB VAL 86 HB VAL 86 2.508 -14.312 24.098 3 H VAL 86 HN VAL 86 1.817 -11.528 24.463 No H/Q in entry = 3 In of MODEL 10 1 HA SER 87 HA SER 87 0.346 -11.783 20.173 2 HB2 SER 87 HB2 SER 87 2.715 -11.279 18.321 3 HG SER 87 HG SER 87 1.943 -9.767 20.160 4 H SER 87 HN SER 87 3.129 -11.546 20.750 5 HB3 SER 87 HB1 SER 87 1.017 -11.093 17.866 No H/Q in entry = 5 In of MODEL 10 1 HA LEU 88 HA LEU 88 0.153 -16.025 19.366 2 HB2 LEU 88 HB2 LEU 88 -2.241 -15.288 19.687 3 HG LEU 88 HG LEU 88 -1.871 -17.563 17.715 4 HD11 LEU 88 HD11 LEU 88 -0.602 -17.859 19.795 5 HD13 LEU 88 HD12 LEU 88 -1.939 -18.998 19.700 6 HD12 LEU 88 HD13 LEU 88 -2.066 -17.579 20.744 7 HD23 LEU 88 HD21 LEU 88 -4.283 -16.914 19.450 8 HD22 LEU 88 HD22 LEU 88 -4.095 -18.339 18.424 9 HD21 LEU 88 HD23 LEU 88 -4.201 -16.739 17.696 10 H LEU 88 HN LEU 88 -0.809 -13.378 19.228 11 HB3 LEU 88 HB1 LEU 88 -2.374 -15.108 17.951 No H/Q in entry = 11 In of MODEL 10 1 HA ILE 89 HA ILE 89 -0.533 -15.895 14.544 2 HB ILE 89 HB ILE 89 0.120 -12.922 14.307 3 HD11 ILE 89 HD11 ILE 89 -2.926 -14.852 13.033 4 HD13 ILE 89 HD12 ILE 89 -3.953 -14.256 14.333 5 HD12 ILE 89 HD13 ILE 89 -2.710 -15.459 14.679 6 H ILE 89 HN ILE 89 -0.669 -13.992 16.588 No H/Q in entry = 6 In of MODEL 10 1 HA3 GLY 90 HA2 GLY 90 4.176 -14.527 14.485 2 H GLY 90 HN GLY 90 1.934 -13.850 15.993 3 HA2 GLY 90 HA1 GLY 90 4.189 -14.088 16.186 No H/Q in entry = 3 In of MODEL 10 1 HA LEU 91 HA LEU 91 4.860 -18.118 17.727 2 HB2 LEU 91 HB2 LEU 91 1.944 -18.156 18.587 3 HG LEU 91 HG LEU 91 3.102 -16.318 19.717 4 HD13 LEU 91 HD11 LEU 91 2.684 -16.996 22.044 5 HD12 LEU 91 HD12 LEU 91 2.640 -18.692 21.554 6 HD11 LEU 91 HD13 LEU 91 1.414 -17.567 20.962 7 HD21 LEU 91 HD21 LEU 91 5.155 -18.403 20.565 8 HD23 LEU 91 HD22 LEU 91 5.051 -16.762 21.209 9 HD22 LEU 91 HD23 LEU 91 5.421 -17.014 19.506 10 H LEU 91 HN LEU 91 2.895 -16.115 17.451 11 HB3 LEU 91 HB1 LEU 91 3.157 -19.307 19.143 No H/Q in entry = 11 In of MODEL 10 1 HA LEU 92 HA LEU 92 1.640 -20.782 15.199 2 HB2 LEU 92 HB2 LEU 92 0.502 -18.298 13.850 3 HG LEU 92 HG LEU 92 -0.317 -18.598 16.225 4 HD12 LEU 92 HD11 LEU 92 -2.418 -18.947 14.065 5 HD11 LEU 92 HD12 LEU 92 -1.703 -17.426 14.610 6 HD13 LEU 92 HD13 LEU 92 -2.709 -18.366 15.709 7 HD22 LEU 92 HD21 LEU 92 -1.819 -20.472 16.756 8 HD21 LEU 92 HD22 LEU 92 -0.199 -21.047 16.376 9 HD23 LEU 92 HD23 LEU 92 -1.491 -21.203 15.182 10 H LEU 92 HN LEU 92 1.848 -18.048 15.931 11 HB3 LEU 92 HB1 LEU 92 -0.007 -19.949 13.508 No H/Q in entry = 11 In of MODEL 10 1 HA GLU 93 HA GLU 93 3.997 -19.412 11.328 2 HB2 GLU 93 HB2 GLU 93 4.561 -16.553 12.242 3 HG2 GLU 93 HG2 GLU 93 2.198 -16.727 11.796 4 H GLU 93 HN GLU 93 3.216 -17.984 13.748 5 HB3 GLU 93 HB1 GLU 93 4.971 -17.210 10.659 6 HG3 GLU 93 HG1 GLU 93 2.969 -15.895 10.446 No H/Q in entry = 6 In of MODEL 10 1 HA3 GLY 94 HA2 GLY 94 7.293 -20.092 15.121 2 H GLY 94 HN GLY 94 5.333 -18.793 14.453 3 HA2 GLY 94 HA1 GLY 94 8.032 -19.712 13.577 No H/Q in entry = 3 In of MODEL 10 1 HA ARG 95 HA ARG 95 9.071 -15.573 15.172 2 HB2 ARG 95 HB2 ARG 95 7.564 -14.508 13.549 3 HG2 ARG 95 HG2 ARG 95 7.500 -13.015 16.191 4 HD2 ARG 95 HD2 ARG 95 5.773 -12.098 14.719 5 HE ARG 95 HE ARG 95 7.877 -12.033 12.638 6 HH11 ARG 95 HH11 ARG 95 4.494 -11.602 13.495 7 HH12 ARG 95 HH12 ARG 95 3.980 -11.428 11.850 8 HH21 ARG 95 HH21 ARG 95 7.187 -11.833 10.489 9 HH22 ARG 95 HH22 ARG 95 5.506 -11.575 10.145 10 H ARG 95 HN ARG 95 6.743 -16.889 14.176 11 HB3 ARG 95 HB1 ARG 95 6.228 -14.590 14.688 12 HG3 ARG 95 HG1 ARG 95 8.709 -12.863 14.912 13 HD3 ARG 95 HD1 ARG 95 7.133 -10.981 14.861 No H/Q in entry = 13 In of MODEL 10 1 HA ARG 96 HA ARG 96 7.676 -16.243 19.417 2 HB2 ARG 96 HB2 ARG 96 10.715 -16.434 19.576 3 HG2 ARG 96 HG2 ARG 96 8.749 -18.684 19.030 4 HD2 ARG 96 HD2 ARG 96 11.751 -18.675 19.409 5 HE ARG 96 HE ARG 96 10.750 -20.048 17.407 6 HH11 ARG 96 HH11 ARG 96 11.397 -21.335 20.616 7 HH12 ARG 96 HH12 ARG 96 11.848 -22.888 19.997 8 HH21 ARG 96 HH21 ARG 96 11.352 -22.079 16.648 9 HH22 ARG 96 HH22 ARG 96 11.855 -23.302 17.770 10 H ARG 96 HN ARG 96 9.653 -15.896 17.269 11 HB3 ARG 96 HB1 ARG 96 9.541 -17.089 20.725 12 HG3 ARG 96 HG1 ARG 96 9.849 -17.991 17.838 13 HD3 ARG 96 HD1 ARG 96 10.537 -19.616 20.299 No H/Q in entry = 13 In of MODEL 10 1 HA3 GLY 97 HA2 GLY 97 8.938 -11.834 19.874 2 H GLY 97 HN GLY 97 10.217 -14.061 18.403 3 HA2 GLY 97 HA1 GLY 97 10.690 -12.049 19.984 No H/Q in entry = 3 In of MODEL 10 1 HA SER 98 HA SER 98 9.730 -9.572 16.164 2 HB2 SER 98 HB2 SER 98 10.971 -7.416 16.174 3 HG SER 98 HG SER 98 12.008 -6.756 18.082 4 H SER 98 HN SER 98 10.403 -9.730 18.922 5 HB3 SER 98 HB1 SER 98 9.899 -7.543 17.565 No H/Q in entry = 5 In of MODEL 10 1 HA ALA 99 HA ALA 99 12.958 -11.554 14.050 2 HB3 ALA 99 HB1 ALA 99 12.773 -9.077 12.294 3 HB1 ALA 99 HB2 ALA 99 11.780 -10.530 12.151 4 HB2 ALA 99 HB3 ALA 99 13.513 -10.613 11.835 5 H ALA 99 HN ALA 99 11.229 -9.352 14.321 No H/Q in entry = 5 In of MODEL 10 1 HA LYS 100 HA LYS 100 16.481 -8.236 14.531 2 HB2 LYS 100 HB2 LYS 100 16.434 -6.079 15.719 3 HG2 LYS 100 HG2 LYS 100 13.478 -6.606 16.151 4 HD2 LYS 100 HD2 LYS 100 13.425 -4.313 17.155 5 HE2 LYS 100 HE2 LYS 100 14.194 -4.311 14.216 6 HZ3 LYS 100 HZ1 LYS 100 12.785 -2.348 14.119 7 HZ2 LYS 100 HZ2 LYS 100 14.132 -2.095 15.107 8 HZ1 LYS 100 HZ3 LYS 100 12.615 -2.363 15.803 9 H LYS 100 HN LYS 100 13.677 -8.113 14.557 10 HB3 LYS 100 HB1 LYS 100 15.254 -6.110 14.412 11 HG3 LYS 100 HG1 LYS 100 14.706 -6.349 17.389 12 HD3 LYS 100 HD1 LYS 100 15.047 -4.029 16.522 13 HE3 LYS 100 HE1 LYS 100 12.574 -4.609 14.848 No H/Q in entry = 13 In of MODEL 10 1 HA TRP 101 HA TRP 101 15.984 -8.846 19.346 2 HB2 TRP 101 HB2 TRP 101 13.582 -8.437 19.704 3 HD1 TRP 101 HD1 TRP 101 14.627 -8.327 22.202 4 HE1 TRP 101 HE1 TRP 101 14.574 -10.013 24.140 5 HE3 TRP 101 HE3 TRP 101 13.164 -12.480 19.636 6 HZ2 TRP 101 HZ2 TRP 101 14.005 -12.737 24.520 7 HZ3 TRP 101 HZ3 TRP 101 12.891 -14.596 20.854 8 HH2 TRP 101 HH2 TRP 101 13.305 -14.720 23.262 9 H TRP 101 HN TRP 101 14.161 -8.642 17.218 10 HB3 TRP 101 HB1 TRP 101 13.181 -10.025 19.067 No H/Q in entry = 10 In of MODEL 10 1 HA MET 102 HA MET 102 15.671 -13.594 18.639 2 HB2 MET 102 HB2 MET 102 14.398 -13.370 15.883 3 HG2 MET 102 HG2 MET 102 13.291 -14.520 18.454 4 HE1 MET 102 HE1 MET 102 11.487 -12.942 15.327 5 HE3 MET 102 HE2 MET 102 11.046 -14.380 14.405 6 HE2 MET 102 HE3 MET 102 12.738 -13.907 14.543 7 H MET 102 HN MET 102 14.511 -11.360 17.299 8 HB3 MET 102 HB1 MET 102 14.896 -14.896 16.605 9 HG3 MET 102 HG1 MET 102 12.770 -13.021 17.684 No H/Q in entry = 9 In of MODEL 10 1 HA ALA 103 HA ALA 103 18.963 -13.169 15.213 2 HB2 ALA 103 HB1 ALA 103 19.689 -11.185 13.930 3 HB1 ALA 103 HB2 ALA 103 18.541 -10.180 14.822 4 HB3 ALA 103 HB3 ALA 103 17.952 -11.456 13.757 5 H ALA 103 HN ALA 103 16.890 -11.394 16.230 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 104 HA GLU 104 21.467 -10.417 18.161 2 HB2 GLU 104 HB2 GLU 104 19.117 -8.981 19.459 3 HG2 GLU 104 HG2 GLU 104 20.844 -8.087 17.144 4 H GLU 104 HN GLU 104 18.578 -10.729 17.684 5 HB3 GLU 104 HB1 GLU 104 20.821 -8.524 19.573 6 HG3 GLU 104 HG1 GLU 104 19.162 -8.537 17.037 No H/Q in entry = 6 In of MODEL 10 1 HA HIS 105 HA HIS 105 20.215 -12.941 21.802 2 HB2 HIS 105 HB2 HIS 105 17.182 -12.573 21.576 3 HD1 HIS 105 HD1 HIS 105 19.527 -11.735 24.409 4 HD2 HIS 105 HD2 HIS 105 17.180 -9.797 21.575 5 HE1 HIS 105 HE1 HIS 105 19.585 -9.307 25.032 6 HE2 HIS 105 HE2 HIS 105 18.274 -8.137 23.226 7 H HIS 105 HN HIS 105 18.681 -11.966 19.465 8 HB3 HIS 105 HB1 HIS 105 18.009 -13.321 22.946 No H/Q in entry = 8 In of MODEL 10 1 HA PRO 106 HA PRO 106 19.786 -16.538 18.913 2 HB2 PRO 106 HB2 PRO 106 21.902 -17.940 20.064 3 HG2 PRO 106 HG2 PRO 106 22.430 -16.382 21.743 4 HD2 PRO 106 HD2 PRO 106 21.768 -14.125 21.586 5 HB3 PRO 106 HB1 PRO 106 22.093 -16.757 18.763 6 HG3 PRO 106 HG1 PRO 106 23.480 -15.827 20.417 7 HD3 PRO 106 HD1 PRO 106 22.033 -14.065 19.831 No H/Q in entry = 7 In of MODEL 10 1 HA LEU 107 HA LEU 107 18.215 -19.347 22.049 2 HB2 LEU 107 HB2 LEU 107 16.454 -18.195 20.577 3 HG LEU 107 HG LEU 107 15.735 -21.024 21.434 4 HD12 LEU 107 HD11 LEU 107 15.368 -18.376 22.870 5 HD11 LEU 107 HD12 LEU 107 16.512 -19.650 23.302 6 HD13 LEU 107 HD13 LEU 107 14.781 -19.947 23.425 7 HD22 LEU 107 HD21 LEU 107 13.391 -20.290 21.342 8 HD21 LEU 107 HD22 LEU 107 14.140 -20.197 19.751 9 HD23 LEU 107 HD23 LEU 107 13.887 -18.723 20.694 10 H LEU 107 HN LEU 107 19.193 -18.724 19.329 11 HB3 LEU 107 HB1 LEU 107 16.531 -19.592 19.521 No H/Q in entry = 11 In of MODEL 10 1 HA ALA 108 HA ALA 108 19.432 -23.416 20.766 2 HB1 ALA 108 HB1 ALA 108 18.914 -25.075 22.505 3 HB2 ALA 108 HB2 ALA 108 17.713 -23.986 23.204 4 HB3 ALA 108 HB3 ALA 108 19.421 -23.548 23.227 5 H ALA 108 HN ALA 108 17.719 -21.639 22.324 No H/Q in entry = 5 In of MODEL 10 1 HA SER 109 HA SER 109 15.817 -24.597 18.391 2 HB2 SER 109 HB2 SER 109 14.481 -24.377 20.516 3 HG SER 109 HG SER 109 13.560 -24.937 18.274 4 H SER 109 HN SER 109 16.914 -22.242 19.630 5 HB3 SER 109 HB1 SER 109 13.976 -22.768 20.003 No H/Q in entry = 5 In of MODEL 11 1 H1 MET 1 HT3 MET 1 -4.828 -3.910 -5.034 2 H2 MET 1 HT2 MET 1 -4.363 -5.182 -4.022 3 H3 MET 1 HT1 MET 1 -5.432 -4.000 -3.464 4 HB3 MET 1 HB1 MET 1 -1.356 -3.094 -3.980 5 HG3 MET 1 HG1 MET 1 -0.880 -5.245 -5.025 6 HA MET 1 HA MET 1 -3.290 -3.615 -2.533 7 HB2 MET 1 HB2 MET 1 -2.340 -3.326 -5.422 8 HG2 MET 1 HG2 MET 1 -2.579 -5.709 -4.896 9 HE2 MET 1 HE1 MET 1 -0.279 -7.602 -3.785 10 HE1 MET 1 HE2 MET 1 -2.002 -7.960 -3.649 11 HE3 MET 1 HE3 MET 1 -0.960 -8.061 -2.226 No H/Q in entry = 11 In of MODEL 11 1 HA GLU 2 HA GLU 2 -2.194 0.891 -2.663 2 HB2 GLU 2 HB2 GLU 2 -4.150 0.645 -4.986 3 HG2 GLU 2 HG2 GLU 2 -2.344 1.819 -6.287 4 H GLU 2 HN GLU 2 -2.011 -1.337 -2.973 5 HB3 GLU 2 HB1 GLU 2 -3.642 2.190 -4.318 6 HG3 GLU 2 HG1 GLU 2 -1.271 1.618 -4.909 No H/Q in entry = 6 In of MODEL 11 1 HA VAL 3 HA VAL 3 -6.260 0.687 -0.435 2 HB VAL 3 HB VAL 3 -7.166 -1.317 0.684 3 H VAL 3 HN VAL 3 -3.975 -1.000 -1.229 No H/Q in entry = 3 In of MODEL 11 1 HA SER 4 HA SER 4 -3.239 0.142 3.270 2 HB2 SER 4 HB2 SER 4 -1.181 -0.304 1.887 3 HG SER 4 HG SER 4 -1.192 1.399 4.100 4 H SER 4 HN SER 4 -3.116 0.371 0.427 5 HB3 SER 4 HB1 SER 4 -1.052 1.425 1.572 No H/Q in entry = 5 In of MODEL 11 1 HA ALA 5 HA ALA 5 -4.339 4.369 4.039 2 HB2 ALA 5 HB1 ALA 5 -6.572 5.003 3.179 3 HB1 ALA 5 HB2 ALA 5 -6.908 3.313 2.787 4 HB3 ALA 5 HB3 ALA 5 -5.625 4.176 1.939 5 H ALA 5 HN ALA 5 -4.940 1.509 3.806 No H/Q in entry = 5 In of MODEL 11 1 HA ASN 6 HA ASN 6 -5.942 3.693 8.012 2 HB2 ASN 6 HB2 ASN 6 -6.527 5.869 9.162 3 HD21 ASN 6 HD21 ASN 6 -4.946 8.136 8.460 4 HD22 ASN 6 HD22 ASN 6 -5.849 9.064 7.318 5 H ASN 6 HN ASN 6 -5.357 5.329 5.785 6 HB3 ASN 6 HB1 ASN 6 -4.941 5.840 8.405 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 7 HA GLU 7 -10.518 4.910 6.970 2 HB2 GLU 7 HB2 GLU 7 -11.496 5.392 4.708 3 HG2 GLU 7 HG2 GLU 7 -8.639 5.707 3.737 4 H GLU 7 HN GLU 7 -8.001 5.277 5.660 5 HB3 GLU 7 HB1 GLU 7 -10.315 6.591 5.225 6 HG3 GLU 7 HG1 GLU 7 -9.646 4.315 3.345 No H/Q in entry = 6 In of MODEL 11 1 HA LEU 8 HA LEU 8 -10.512 0.833 4.475 2 HB2 LEU 8 HB2 LEU 8 -7.609 1.136 3.759 3 HG LEU 8 HG LEU 8 -8.277 0.230 1.566 4 HD13 LEU 8 HD11 LEU 8 -10.581 -0.226 0.983 5 HD12 LEU 8 HD12 LEU 8 -11.107 0.129 2.630 6 HD11 LEU 8 HD13 LEU 8 -10.064 -1.262 2.315 7 HD21 LEU 8 HD21 LEU 8 -8.352 2.642 1.857 8 HD23 LEU 8 HD22 LEU 8 -10.022 2.558 2.419 9 HD22 LEU 8 HD23 LEU 8 -9.622 2.111 0.758 10 H LEU 8 HN LEU 8 -8.542 2.898 4.829 11 HB3 LEU 8 HB1 LEU 8 -8.235 -0.495 3.865 No H/Q in entry = 11 In of MODEL 11 1 HA GLU 9 HA GLU 9 -7.559 0.750 8.895 2 HB2 GLU 9 HB2 GLU 9 -9.300 -0.073 10.409 3 HG2 GLU 9 HG2 GLU 9 -11.234 -0.149 8.082 4 H GLU 9 HN GLU 9 -8.346 1.682 6.979 5 HB3 GLU 9 HB1 GLU 9 -9.899 1.296 9.485 6 HG3 GLU 9 HG1 GLU 9 -10.518 -1.590 8.807 No H/Q in entry = 6 In of MODEL 11 1 HA ALA 10 HA ALA 10 -7.466 -3.423 6.613 2 HB2 ALA 10 HB1 ALA 10 -4.851 -2.138 5.793 3 HB1 ALA 10 HB2 ALA 10 -6.327 -2.195 4.829 4 HB3 ALA 10 HB3 ALA 10 -5.465 -3.688 5.212 5 H ALA 10 HN ALA 10 -6.709 -0.739 6.784 No H/Q in entry = 5 In of MODEL 11 1 HA ALA 11 HA ALA 11 -3.769 -4.162 9.697 2 HB3 ALA 11 HB1 ALA 11 -3.115 -2.748 11.599 3 HB1 ALA 11 HB2 ALA 11 -4.359 -1.568 11.170 4 HB2 ALA 11 HB3 ALA 11 -2.998 -1.850 10.083 5 H ALA 11 HN ALA 11 -5.214 -1.871 8.801 No H/Q in entry = 5 In of MODEL 11 1 HA SER 12 HA SER 12 -6.905 -4.182 13.363 2 HB2 SER 12 HB2 SER 12 -9.098 -2.953 13.647 3 HG SER 12 HG SER 12 -9.882 -1.827 12.063 4 H SER 12 HN SER 12 -6.527 -2.397 11.183 5 HB3 SER 12 HB1 SER 12 -7.706 -1.881 13.507 No H/Q in entry = 5 In of MODEL 11 1 HA SER 13 HA SER 13 -10.421 -5.820 10.349 2 HB2 SER 13 HB2 SER 13 -10.302 -4.161 8.541 3 HG SER 13 HG SER 13 -10.102 -5.987 6.747 4 H SER 13 HN SER 13 -8.414 -3.878 10.204 5 HB3 SER 13 HB1 SER 13 -8.800 -4.872 7.951 No H/Q in entry = 5 In of MODEL 11 1 HA ARG 14 HA ARG 14 -6.977 -8.774 8.527 2 HB2 ARG 14 HB2 ARG 14 -5.129 -7.193 8.034 3 HG2 ARG 14 HG2 ARG 14 -4.361 -9.744 9.481 4 HD2 ARG 14 HD2 ARG 14 -2.061 -9.469 8.660 5 HE ARG 14 HE ARG 14 -3.104 -7.870 10.782 6 HH11 ARG 14 HH11 ARG 14 -0.134 -8.487 8.995 7 HH12 ARG 14 HH12 ARG 14 0.880 -7.912 10.274 8 HH21 ARG 14 HH21 ARG 14 -1.747 -7.130 12.435 9 HH22 ARG 14 HH22 ARG 14 -0.029 -7.147 12.220 10 H ARG 14 HN ARG 14 -7.003 -6.075 9.334 11 HB3 ARG 14 HB1 ARG 14 -4.704 -7.152 9.741 12 HG3 ARG 14 HG1 ARG 14 -4.329 -9.402 7.749 13 HD3 ARG 14 HD1 ARG 14 -2.443 -7.832 8.111 No H/Q in entry = 13 In of MODEL 11 1 HA MET 15 HA MET 15 -5.329 -9.595 13.031 2 HB2 MET 15 HB2 MET 15 -6.744 -7.183 14.255 3 HG2 MET 15 HG2 MET 15 -4.792 -6.474 12.909 4 HE2 MET 15 HE1 MET 15 -1.642 -8.388 15.620 5 HE1 MET 15 HE2 MET 15 -3.323 -8.312 16.143 6 HE3 MET 15 HE3 MET 15 -2.423 -6.820 15.833 7 H MET 15 HN MET 15 -6.225 -7.295 11.680 8 HB3 MET 15 HB1 MET 15 -5.714 -8.332 15.112 9 HG3 MET 15 HG1 MET 15 -4.575 -6.195 14.630 No H/Q in entry = 9 In of MODEL 11 1 HA GLU 16 HA GLU 16 -9.978 -10.016 14.386 2 HB2 GLU 16 HB2 GLU 16 -10.875 -7.823 13.752 3 HG2 GLU 16 HG2 GLU 16 -13.135 -8.296 13.134 4 H GLU 16 HN GLU 16 -8.566 -8.220 12.705 5 HB3 GLU 16 HB1 GLU 16 -10.891 -8.289 12.057 6 HG3 GLU 16 HG1 GLU 16 -12.679 -9.829 12.394 No H/Q in entry = 6 In of MODEL 11 1 HA MET 17 HA MET 17 -10.760 -12.355 10.162 2 HB2 MET 17 HB2 MET 17 -8.313 -11.087 8.856 3 HG2 MET 17 HG2 MET 17 -11.217 -11.083 8.006 4 HE2 MET 17 HE1 MET 17 -10.729 -8.751 4.834 5 HE1 MET 17 HE2 MET 17 -11.016 -8.228 6.494 6 HE3 MET 17 HE3 MET 17 -11.912 -9.596 5.831 7 H MET 17 HN MET 17 -9.323 -10.011 10.856 8 HB3 MET 17 HB1 MET 17 -9.168 -12.460 8.162 9 HG3 MET 17 HG1 MET 17 -10.317 -9.706 8.650 No H/Q in entry = 9 In of MODEL 11 1 HA LEU 18 HA LEU 18 -6.496 -14.521 11.135 2 HB2 LEU 18 HB2 LEU 18 -5.714 -12.269 13.032 3 HG LEU 18 HG LEU 18 -5.234 -11.789 10.605 4 HD13 LEU 18 HD11 LEU 18 -2.911 -11.097 10.922 5 HD12 LEU 18 HD12 LEU 18 -2.782 -12.126 12.351 6 HD11 LEU 18 HD13 LEU 18 -3.889 -10.751 12.347 7 HD22 LEU 18 HD21 LEU 18 -3.476 -13.048 9.445 8 HD21 LEU 18 HD22 LEU 18 -4.859 -14.071 9.817 9 HD23 LEU 18 HD23 LEU 18 -3.389 -14.192 10.790 10 H LEU 18 HN LEU 18 -7.500 -11.871 11.421 11 HB3 LEU 18 HB1 LEU 18 -4.807 -13.763 12.877 No H/Q in entry = 11 In of MODEL 11 1 HA GLN 19 HA GLN 19 -8.214 -14.841 15.712 2 HB2 GLN 19 HB2 GLN 19 -10.490 -12.882 15.151 3 HG2 GLN 19 HG2 GLN 19 -8.068 -12.603 16.945 4 HE21 GLN 19 HE21 GLN 19 -8.500 -9.666 16.444 5 HE22 GLN 19 HE22 GLN 19 -9.652 -9.211 17.647 6 H GLN 19 HN GLN 19 -8.402 -12.899 13.646 7 HB3 GLN 19 HB1 GLN 19 -10.259 -13.768 16.659 8 HG3 GLN 19 HG1 GLN 19 -8.422 -11.659 15.504 No H/Q in entry = 8 In of MODEL 11 1 HA ARG 20 HA ARG 20 -12.095 -16.752 13.855 2 HB2 ARG 20 HB2 ARG 20 -13.672 -16.143 12.142 3 HG2 ARG 20 HG2 ARG 20 -11.653 -14.121 11.111 4 HD2 ARG 20 HD2 ARG 20 -13.843 -13.082 11.086 5 HE ARG 20 HE ARG 20 -14.855 -15.681 10.319 6 HH11 ARG 20 HH11 ARG 20 -15.556 -12.234 10.253 7 HH12 ARG 20 HH12 ARG 20 -17.270 -12.461 10.124 8 HH21 ARG 20 HH21 ARG 20 -17.116 -15.956 10.188 9 HH22 ARG 20 HH22 ARG 20 -18.151 -14.568 10.091 10 H ARG 20 HN ARG 20 -10.572 -14.391 13.075 11 HB3 ARG 20 HB1 ARG 20 -13.206 -14.684 13.002 12 HG3 ARG 20 HG1 ARG 20 -12.262 -15.533 10.243 13 HD3 ARG 20 HD1 ARG 20 -13.413 -13.552 9.440 No H/Q in entry = 13 In of MODEL 11 1 HA GLU 21 HA GLU 21 -9.856 -18.325 9.943 2 HB2 GLU 21 HB2 GLU 21 -8.664 -16.357 9.130 3 HG2 GLU 21 HG2 GLU 21 -6.621 -17.224 8.199 4 H GLU 21 HN GLU 21 -9.446 -16.106 11.769 5 HB3 GLU 21 HB1 GLU 21 -7.470 -16.488 10.411 6 HG3 GLU 21 HG1 GLU 21 -6.525 -18.479 9.434 No H/Q in entry = 6 In of MODEL 11 1 HA TYR 22 HA TYR 22 -6.456 -20.428 12.290 2 HB2 TYR 22 HB2 TYR 22 -5.214 -17.999 13.648 3 HD1 TYR 22 HD1 TYR 22 -4.596 -16.508 11.889 4 HD2 TYR 22 HD2 TYR 22 -4.035 -20.708 11.334 5 HE1 TYR 22 HE1 TYR 22 -3.475 -16.077 9.741 6 HE2 TYR 22 HE2 TYR 22 -2.910 -20.278 9.194 7 HH TYR 22 HH TYR 22 -1.816 -17.255 8.221 8 H TYR 22 HN TYR 22 -7.176 -17.614 12.228 9 HB3 TYR 22 HB1 TYR 22 -4.527 -19.623 13.666 No H/Q in entry = 9 In of MODEL 11 1 HA SER 23 HA SER 23 -8.750 -19.340 16.472 2 HB2 SER 23 HB2 SER 23 -7.320 -20.442 18.258 3 HG SER 23 HG SER 23 -5.314 -19.422 16.741 4 H SER 23 HN SER 23 -6.781 -18.067 14.958 5 HB3 SER 23 HB1 SER 23 -7.237 -21.250 16.702 No H/Q in entry = 5 In of MODEL 11 1 HA THR 24 HA THR 24 -7.162 -16.153 19.283 2 HB THR 24 HB THR 24 -8.977 -15.523 20.937 3 HG1 THR 24 HG1 THR 24 -10.012 -17.524 21.116 4 HG21 THR 24 HG21 THR 24 -8.894 -14.399 18.745 5 HG23 THR 24 HG22 THR 24 -10.557 -14.585 19.310 6 HG22 THR 24 HG23 THR 24 -9.924 -15.658 18.058 7 H THR 24 HN THR 24 -8.957 -18.413 18.604 No H/Q in entry = 7 In of MODEL 11 1 HA LEU 25 HA LEU 25 -5.990 -18.745 22.671 2 HB2 LEU 25 HB2 LEU 25 -4.271 -16.822 22.409 3 HG LEU 25 HG LEU 25 -4.484 -18.155 25.136 4 HD13 LEU 25 HD11 LEU 25 -2.909 -19.774 24.221 5 HD12 LEU 25 HD12 LEU 25 -2.958 -18.966 22.652 6 HD11 LEU 25 HD13 LEU 25 -4.407 -19.751 23.293 7 HD21 LEU 25 HD21 LEU 25 -3.007 -16.199 25.243 8 HD23 LEU 25 HD22 LEU 25 -2.097 -16.790 23.849 9 HD22 LEU 25 HD23 LEU 25 -2.084 -17.698 25.363 10 H LEU 25 HN LEU 25 -6.535 -16.066 21.604 11 HB3 LEU 25 HB1 LEU 25 -5.042 -16.096 23.810 No H/Q in entry = 11 In of MODEL 11 1 HA ARG 26 HA ARG 26 -9.133 -17.917 25.697 2 HB2 ARG 26 HB2 ARG 26 -10.297 -19.930 26.346 3 HG2 ARG 26 HG2 ARG 26 -7.987 -21.538 25.218 4 HD2 ARG 26 HD2 ARG 26 -10.118 -22.551 24.534 5 HE ARG 26 HE ARG 26 -10.950 -22.104 27.291 6 HH11 ARG 26 HH11 ARG 26 -11.689 -23.730 24.250 7 HH12 ARG 26 HH12 ARG 26 -13.322 -24.087 24.706 8 HH21 ARG 26 HH21 ARG 26 -13.089 -22.593 27.864 9 HH22 ARG 26 HH22 ARG 26 -14.114 -23.441 26.754 10 H ARG 26 HN ARG 26 -7.061 -19.602 24.440 11 HB3 ARG 26 HB1 ARG 26 -9.903 -20.026 24.636 12 HG3 ARG 26 HG1 ARG 26 -8.517 -21.505 26.901 13 HD3 ARG 26 HD1 ARG 26 -9.312 -23.535 25.756 No H/Q in entry = 13 In of MODEL 11 1 HA SER 27 HA SER 27 -6.096 -18.627 29.131 2 HB2 SER 27 HB2 SER 27 -6.490 -21.657 28.979 3 HG SER 27 HG SER 27 -8.068 -19.598 30.141 4 H SER 27 HN SER 27 -6.304 -19.904 26.532 5 HB3 SER 27 HB1 SER 27 -6.040 -20.764 30.434 No H/Q in entry = 5 In of MODEL 11 1 HA VAL 28 HA VAL 28 -2.003 -20.603 28.755 2 HB VAL 28 HB VAL 28 -1.714 -17.883 30.141 3 H VAL 28 HN VAL 28 -4.142 -19.289 30.293 No H/Q in entry = 3 In of MODEL 11 1 HA GLN 29 HA GLN 29 -0.657 -21.557 32.965 2 HB2 GLN 29 HB2 GLN 29 -0.846 -24.100 33.065 3 HG2 GLN 29 HG2 GLN 29 -1.718 -23.775 30.186 4 HE21 GLN 29 HE21 GLN 29 -1.124 -26.515 29.646 5 HE22 GLN 29 HE22 GLN 29 -2.380 -27.464 30.346 6 H GLN 29 HN GLN 29 -0.507 -21.662 30.052 7 HB3 GLN 29 HB1 GLN 29 -2.305 -23.267 32.529 8 HG3 GLN 29 HG1 GLN 29 -0.302 -24.658 30.737 No H/Q in entry = 8 In of MODEL 11 1 HA TYR 30 HA TYR 30 3.654 -22.101 31.878 2 HB2 TYR 30 HB2 TYR 30 3.933 -19.982 33.057 3 HD1 TYR 30 HD1 TYR 30 5.372 -21.287 36.005 4 HD2 TYR 30 HD2 TYR 30 6.019 -21.140 31.782 5 HE1 TYR 30 HE1 TYR 30 7.749 -21.808 36.348 6 HE2 TYR 30 HE2 TYR 30 8.395 -21.653 32.125 7 HH TYR 30 HH TYR 30 10.098 -21.400 33.982 8 H TYR 30 HN TYR 30 1.420 -21.144 33.422 9 HB3 TYR 30 HB1 TYR 30 3.542 -20.729 34.606 No H/Q in entry = 9 In of MODEL 11 1 HA ARG 31 HA ARG 31 3.576 -25.945 34.187 2 HB2 ARG 31 HB2 ARG 31 4.426 -26.581 31.343 3 HG2 ARG 31 HG2 ARG 31 1.893 -27.171 32.908 4 HD2 ARG 31 HD2 ARG 31 1.090 -28.458 31.008 5 HE ARG 31 HE ARG 31 3.620 -29.820 31.375 6 HH11 ARG 31 HH11 ARG 31 0.447 -29.228 32.792 7 HH12 ARG 31 HH12 ARG 31 0.568 -30.547 33.908 8 HH21 ARG 31 HH21 ARG 31 3.757 -31.528 32.855 9 HH22 ARG 31 HH22 ARG 31 2.444 -31.844 33.939 10 H ARG 31 HN ARG 31 3.825 -24.296 31.818 11 HB3 ARG 31 HB1 ARG 31 4.346 -27.789 32.626 12 HG3 ARG 31 HG1 ARG 31 2.046 -26.199 31.443 13 HD3 ARG 31 HD1 ARG 31 2.598 -28.182 30.137 No H/Q in entry = 13 In of MODEL 11 1 HA SER 32 HA SER 32 7.806 -24.822 35.185 2 HB2 SER 32 HB2 SER 32 7.934 -24.977 37.707 3 HG SER 32 HG SER 32 6.030 -25.417 38.827 4 H SER 32 HN SER 32 5.061 -25.451 35.638 5 HB3 SER 32 HB1 SER 32 6.636 -23.935 37.127 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 33 HA GLU 33 8.048 -29.651 36.225 2 HB2 GLU 33 HB2 GLU 33 5.683 -30.242 35.722 3 HG2 GLU 33 HG2 GLU 33 7.635 -31.830 34.029 4 H GLU 33 HN GLU 33 6.115 -27.808 35.412 5 HB3 GLU 33 HB1 GLU 33 5.967 -29.951 34.010 6 HG3 GLU 33 HG1 GLU 33 7.212 -32.140 35.708 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 34 HA GLU 34 9.877 -29.428 31.917 2 HB2 GLU 34 HB2 GLU 34 7.617 -27.995 30.471 3 HG2 GLU 34 HG2 GLU 34 7.664 -30.926 31.241 4 H GLU 34 HN GLU 34 7.604 -28.007 33.181 5 HB3 GLU 34 HB1 GLU 34 8.728 -29.206 29.831 6 HG3 GLU 34 HG1 GLU 34 6.569 -29.716 31.899 No H/Q in entry = 6 In of MODEL 11 1 HA3 GLY 35 HA2 GLY 35 9.517 -24.262 32.944 2 H GLY 35 HN GLY 35 8.661 -26.393 32.984 3 HA2 GLY 35 HA1 GLY 35 10.949 -24.879 32.125 No H/Q in entry = 3 In of MODEL 11 1 HA VAL 36 HA VAL 36 8.089 -23.354 28.789 2 HB VAL 36 HB VAL 36 6.620 -24.742 27.335 3 H VAL 36 HN VAL 36 7.565 -25.164 31.081 No H/Q in entry = 3 In of MODEL 11 1 HA ILE 37 HA ILE 37 4.165 -21.557 29.949 2 HB ILE 37 HB ILE 37 5.181 -19.893 27.593 3 HD13 ILE 37 HD11 ILE 37 6.868 -17.453 29.932 4 HD12 ILE 37 HD12 ILE 37 5.225 -17.239 29.330 5 HD11 ILE 37 HD13 ILE 37 6.512 -17.746 28.231 6 H ILE 37 HN ILE 37 6.635 -21.804 28.450 No H/Q in entry = 6 In of MODEL 11 1 HA VAL 38 HA VAL 38 2.107 -23.667 26.598 2 HB VAL 38 HB VAL 38 0.769 -24.576 29.179 3 H VAL 38 HN VAL 38 2.360 -22.594 29.336 No H/Q in entry = 3 In of MODEL 11 1 HA PHE 39 HA PHE 39 -1.161 -20.646 26.259 2 HB2 PHE 39 HB2 PHE 39 0.018 -21.110 23.479 3 HD1 PHE 39 HD1 PHE 39 -0.260 -17.927 25.334 4 HD2 PHE 39 HD2 PHE 39 2.399 -21.022 24.046 5 HE1 PHE 39 HE1 PHE 39 1.662 -16.505 25.892 6 HE2 PHE 39 HE2 PHE 39 4.321 -19.590 24.607 7 HZ PHE 39 HZ PHE 39 3.947 -17.329 25.526 8 H PHE 39 HN PHE 39 0.994 -22.372 25.378 9 HB3 PHE 39 HB1 PHE 39 -1.065 -19.804 23.934 No H/Q in entry = 9 In of MODEL 11 1 HA ILE 40 HA ILE 40 -3.947 -24.008 24.990 2 HB ILE 40 HB ILE 40 -5.511 -22.506 27.137 3 HD13 ILE 40 HD11 ILE 40 -4.265 -24.790 29.880 4 HD12 ILE 40 HD12 ILE 40 -5.782 -25.023 29.017 5 HD11 ILE 40 HD13 ILE 40 -5.321 -23.413 29.573 6 H ILE 40 HN ILE 40 -3.009 -21.869 26.693 No H/Q in entry = 6 In of MODEL 11 1 HA LEU 41 HA LEU 41 -5.802 -21.060 22.165 2 HB2 LEU 41 HB2 LEU 41 -5.607 -23.788 20.832 3 HG LEU 41 HG LEU 41 -3.430 -22.590 21.010 4 HD12 LEU 41 HD11 LEU 41 -2.813 -22.501 18.620 5 HD11 LEU 41 HD12 LEU 41 -4.520 -22.617 18.178 6 HD13 LEU 41 HD13 LEU 41 -3.731 -23.947 19.024 7 HD21 LEU 41 HD21 LEU 41 -4.286 -20.323 21.210 8 HD23 LEU 41 HD22 LEU 41 -4.829 -20.353 19.532 9 HD22 LEU 41 HD23 LEU 41 -3.106 -20.432 19.908 10 H LEU 41 HN LEU 41 -4.679 -23.551 23.006 11 HB3 LEU 41 HB1 LEU 41 -6.312 -22.395 20.028 No H/Q in entry = 11 In of MODEL 11 1 HA ALA 42 HA ALA 42 -10.160 -21.439 22.642 2 HB2 ALA 42 HB1 ALA 42 -10.092 -19.661 20.925 3 HB3 ALA 42 HB2 ALA 42 -11.507 -20.694 20.715 4 HB1 ALA 42 HB3 ALA 42 -10.110 -20.882 19.649 5 H ALA 42 HN ALA 42 -7.932 -20.904 21.013 No H/Q in entry = 5 In of MODEL 11 1 HA ASN 43 HA ASN 43 -10.711 -25.380 19.978 2 HB2 ASN 43 HB2 ASN 43 -8.991 -26.243 18.126 3 HD21 ASN 43 HD21 ASN 43 -6.748 -25.581 18.546 4 HD22 ASN 43 HD22 ASN 43 -6.152 -24.127 17.848 5 H ASN 43 HN ASN 43 -8.803 -23.165 19.926 6 HB3 ASN 43 HB1 ASN 43 -10.140 -24.968 17.757 No H/Q in entry = 6 In of MODEL 11 1 HA ASP 44 HA ASP 44 -7.721 -25.760 23.885 2 HB2 ASP 44 HB2 ASP 44 -9.135 -28.149 22.659 3 H ASP 44 HN ASP 44 -8.689 -24.699 22.169 4 HB3 ASP 44 HB1 ASP 44 -8.315 -28.215 24.219 No H/Q in entry = 4 In of MODEL 11 1 HA ARG 45 HA ARG 45 -4.429 -27.914 21.309 2 HB2 ARG 45 HB2 ARG 45 -4.994 -27.075 19.080 3 HG2 ARG 45 HG2 ARG 45 -2.133 -26.375 19.833 4 HD2 ARG 45 HD2 ARG 45 -3.319 -26.792 17.079 5 HE ARG 45 HE ARG 45 -0.565 -26.887 17.982 6 HH11 ARG 45 HH11 ARG 45 -2.675 -26.326 15.223 7 HH12 ARG 45 HH12 ARG 45 -1.414 -26.603 14.068 8 HH21 ARG 45 HH21 ARG 45 1.078 -27.219 16.427 9 HH22 ARG 45 HH22 ARG 45 0.697 -27.098 14.742 10 H ARG 45 HN ARG 45 -6.352 -25.766 21.103 11 HB3 ARG 45 HB1 ARG 45 -4.475 -25.454 19.518 12 HG3 ARG 45 HG1 ARG 45 -2.718 -27.915 19.198 13 HD3 ARG 45 HD1 ARG 45 -2.699 -25.262 17.722 No H/Q in entry = 13 In of MODEL 11 1 HA GLU 46 HA GLU 46 -1.992 -25.498 24.097 2 HB2 GLU 46 HB2 GLU 46 -0.996 -28.373 24.213 3 HG2 GLU 46 HG2 GLU 46 -2.844 -26.848 26.067 4 H GLU 46 HN GLU 46 -2.706 -27.884 22.601 5 HB3 GLU 46 HB1 GLU 46 -0.491 -27.100 25.320 6 HG3 GLU 46 HG1 GLU 46 -3.312 -28.172 25.005 No H/Q in entry = 6 In of MODEL 11 1 HA LEU 47 HA LEU 47 1.470 -24.838 21.262 2 HB2 LEU 47 HB2 LEU 47 0.209 -22.203 22.067 3 HG LEU 47 HG LEU 47 -0.642 -23.262 19.947 4 HD11 LEU 47 HD11 LEU 47 -0.744 -20.821 20.188 5 HD13 LEU 47 HD12 LEU 47 -0.437 -21.269 18.513 6 HD12 LEU 47 HD13 LEU 47 0.883 -20.663 19.519 7 HD22 LEU 47 HD21 LEU 47 1.397 -24.427 19.273 8 HD21 LEU 47 HD22 LEU 47 2.215 -22.887 18.986 9 HD23 LEU 47 HD23 LEU 47 0.842 -23.364 17.978 10 H LEU 47 HN LEU 47 -0.864 -24.084 22.784 11 HB3 LEU 47 HB1 LEU 47 1.832 -22.208 21.402 No H/Q in entry = 11 In of MODEL 11 1 HA LYS 48 HA LYS 48 4.025 -24.609 24.849 2 HB2 LYS 48 HB2 LYS 48 3.635 -26.910 23.813 3 HG2 LYS 48 HG2 LYS 48 6.355 -26.430 25.058 4 HD2 LYS 48 HD2 LYS 48 4.933 -29.003 24.330 5 HE2 LYS 48 HE2 LYS 48 6.572 -30.206 25.760 6 HZ1 LYS 48 HZ1 LYS 48 4.277 -29.723 26.491 7 HZ3 LYS 48 HZ2 LYS 48 4.852 -28.369 27.328 8 HZ2 LYS 48 HZ3 LYS 48 5.369 -29.919 27.759 9 H LYS 48 HN LYS 48 3.602 -24.614 21.919 10 HB3 LYS 48 HB1 LYS 48 5.093 -26.662 22.860 11 HG3 LYS 48 HG1 LYS 48 4.861 -26.915 25.871 12 HD3 LYS 48 HD1 LYS 48 6.604 -28.542 24.000 13 HE3 LYS 48 HE1 LYS 48 7.045 -28.657 26.474 No H/Q in entry = 13 In of MODEL 11 1 HA PHE 49 HA PHE 49 7.892 -22.762 23.574 2 HB2 PHE 49 HB2 PHE 49 5.878 -20.499 23.997 3 HD1 PHE 49 HD1 PHE 49 8.375 -20.625 21.317 4 HD2 PHE 49 HD2 PHE 49 4.308 -21.473 22.350 5 HE1 PHE 49 HE1 PHE 49 7.807 -20.838 18.936 6 HE2 PHE 49 HE2 PHE 49 3.754 -21.691 19.963 7 HZ PHE 49 HZ PHE 49 5.503 -21.376 18.255 8 H PHE 49 HN PHE 49 5.378 -22.937 25.121 9 HB3 PHE 49 HB1 PHE 49 7.558 -20.199 23.571 No H/Q in entry = 9 In of MODEL 11 1 HA ARG 50 HA ARG 50 9.296 -22.070 27.736 2 HB2 ARG 50 HB2 ARG 50 11.730 -21.787 25.938 3 HG2 ARG 50 HG2 ARG 50 10.891 -23.981 27.855 4 HD2 ARG 50 HD2 ARG 50 13.431 -23.938 26.201 5 HE ARG 50 HE ARG 50 12.297 -26.091 27.310 6 HH11 ARG 50 HH11 ARG 50 15.135 -24.287 28.363 7 HH12 ARG 50 HH12 ARG 50 15.853 -25.659 29.143 8 HH21 ARG 50 HH21 ARG 50 13.269 -27.874 28.359 9 HH22 ARG 50 HH22 ARG 50 14.804 -27.674 29.143 10 H ARG 50 HN ARG 50 9.622 -22.273 24.891 11 HB3 ARG 50 HB1 ARG 50 11.820 -21.646 27.691 12 HG3 ARG 50 HG1 ARG 50 11.030 -24.113 26.100 13 HD3 ARG 50 HD1 ARG 50 13.387 -23.446 27.900 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 51 HA PRO 51 9.085 -17.581 28.411 2 HB2 PRO 51 HB2 PRO 51 11.191 -18.073 30.512 3 HG2 PRO 51 HG2 PRO 51 9.898 -19.665 31.653 4 HD2 PRO 51 HD2 PRO 51 10.641 -20.918 29.825 5 HB3 PRO 51 HB1 PRO 51 9.652 -17.205 30.641 6 HG3 PRO 51 HG1 PRO 51 8.403 -19.177 30.826 7 HD3 PRO 51 HD1 PRO 51 8.888 -21.065 29.570 No H/Q in entry = 7 In of MODEL 11 1 HA ASP 52 HA ASP 52 13.725 -16.616 27.780 2 HB2 ASP 52 HB2 ASP 52 15.747 -17.991 27.886 3 H ASP 52 HN ASP 52 12.356 -19.007 28.589 4 HB3 ASP 52 HB1 ASP 52 14.741 -18.289 29.296 No H/Q in entry = 4 In of MODEL 11 1 HA ASP 53 HA ASP 53 13.443 -18.514 23.506 2 HB2 ASP 53 HB2 ASP 53 10.975 -20.080 24.310 3 H ASP 53 HN ASP 53 12.000 -18.913 26.007 4 HB3 ASP 53 HB1 ASP 53 11.232 -19.698 22.615 No H/Q in entry = 4 In of MODEL 11 1 HA LEU 54 HA LEU 54 9.701 -15.755 22.804 2 HB2 LEU 54 HB2 LEU 54 8.618 -15.884 25.641 3 HG LEU 54 HG LEU 54 8.486 -18.066 24.430 4 HD13 LEU 54 HD11 LEU 54 6.106 -18.445 24.812 5 HD12 LEU 54 HD12 LEU 54 5.813 -16.704 24.859 6 HD11 LEU 54 HD13 LEU 54 6.811 -17.469 26.101 7 HD21 LEU 54 HD21 LEU 54 8.417 -17.242 22.125 8 HD23 LEU 54 HD22 LEU 54 6.821 -16.534 22.398 9 HD22 LEU 54 HD23 LEU 54 7.032 -18.286 22.450 10 H LEU 54 HN LEU 54 10.811 -16.985 25.254 11 HB3 LEU 54 HB1 LEU 54 7.796 -15.111 24.288 No H/Q in entry = 11 In of MODEL 11 1 HA GLN 55 HA GLN 55 11.211 -11.745 23.545 2 HB2 GLN 55 HB2 GLN 55 10.041 -11.401 21.425 3 HG2 GLN 55 HG2 GLN 55 9.262 -9.110 23.254 4 HE21 GLN 55 HE21 GLN 55 10.804 -7.379 21.475 5 HE22 GLN 55 HE22 GLN 55 9.802 -7.099 20.095 6 H GLN 55 HN GLN 55 9.211 -13.543 22.673 7 HB3 GLN 55 HB1 GLN 55 8.504 -11.205 22.261 8 HG3 GLN 55 HG1 GLN 55 10.872 -9.329 22.571 No H/Q in entry = 8 In of MODEL 11 1 HA ALA 56 HA ALA 56 7.495 -10.056 26.290 2 HB2 ALA 56 HB1 ALA 56 5.617 -11.518 25.597 3 HB3 ALA 56 HB2 ALA 56 5.668 -11.365 27.357 4 HB1 ALA 56 HB3 ALA 56 6.259 -12.834 26.574 5 H ALA 56 HN ALA 56 7.822 -12.192 24.534 No H/Q in entry = 5 In of MODEL 11 1 HA THR 57 HA THR 57 9.270 -12.652 29.702 2 HB THR 57 HB THR 57 9.102 -15.212 29.827 3 HG1 THR 57 HG1 THR 57 9.421 -15.321 27.395 4 HG21 THR 57 HG21 THR 57 7.237 -13.693 30.403 5 HG23 THR 57 HG22 THR 57 6.663 -15.191 29.675 6 HG22 THR 57 HG23 THR 57 6.713 -13.709 28.720 7 H THR 57 HN THR 57 9.017 -13.161 26.795 No H/Q in entry = 7 In of MODEL 11 1 HA TYR 58 HA TYR 58 13.350 -14.149 27.885 2 HB2 TYR 58 HB2 TYR 58 12.960 -12.799 25.718 3 HD1 TYR 58 HD1 TYR 58 14.473 -15.098 26.271 4 HD2 TYR 58 HD2 TYR 58 15.946 -11.113 25.855 5 HE1 TYR 58 HE1 TYR 58 16.664 -15.982 25.633 6 HE2 TYR 58 HE2 TYR 58 18.144 -12.005 25.214 7 HH TYR 58 HH TYR 58 18.656 -15.221 24.353 8 H TYR 58 HN TYR 58 11.254 -12.225 27.395 9 HB3 TYR 58 HB1 TYR 58 13.693 -11.432 26.558 No H/Q in entry = 9 In of MODEL 11 1 HA3 GLY 59 HA2 GLY 59 15.238 -13.287 31.754 2 H GLY 59 HN GLY 59 13.563 -14.065 30.138 3 HA2 GLY 59 HA1 GLY 59 14.832 -11.639 31.300 No H/Q in entry = 3 In of MODEL 11 1 HA ALA 60 HA ALA 60 11.080 -11.733 33.727 2 HB3 ALA 60 HB1 ALA 60 8.806 -12.448 33.115 3 HB1 ALA 60 HB2 ALA 60 9.457 -13.445 31.808 4 HB2 ALA 60 HB3 ALA 60 9.623 -11.689 31.747 5 H ALA 60 HN ALA 60 11.888 -12.869 31.243 No H/Q in entry = 5 In of MODEL 11 1 HA THR 61 HA THR 61 11.368 -15.321 36.255 2 HB THR 61 HB THR 61 10.617 -14.649 38.596 3 HG1 THR 61 HG1 THR 61 10.163 -12.267 38.686 4 HG22 THR 61 HG21 THR 61 12.352 -12.926 38.946 5 HG21 THR 61 HG22 THR 61 12.453 -12.649 37.204 6 HG23 THR 61 HG23 THR 61 12.945 -14.203 37.885 7 H THR 61 HN THR 61 10.390 -12.663 35.596 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 62 HA PRO 62 7.540 -17.589 35.830 2 HB2 PRO 62 HB2 PRO 62 7.579 -19.277 38.038 3 HG2 PRO 62 HG2 PRO 62 9.344 -18.236 39.182 4 HD2 PRO 62 HD2 PRO 62 10.887 -16.839 38.092 5 HB3 PRO 62 HB1 PRO 62 8.543 -19.526 36.579 6 HG3 PRO 62 HG1 PRO 62 10.232 -19.434 38.213 7 HD3 PRO 62 HD1 PRO 62 10.898 -17.832 36.616 No H/Q in entry = 7 In of MODEL 11 1 HA GLU 63 HA GLU 63 5.403 -16.003 39.893 2 HB2 GLU 63 HB2 GLU 63 6.079 -14.065 41.296 3 HG2 GLU 63 HG2 GLU 63 8.658 -14.077 39.704 4 H GLU 63 HN GLU 63 8.044 -15.848 38.831 5 HB3 GLU 63 HB1 GLU 63 7.282 -15.349 41.306 6 HG3 GLU 63 HG1 GLU 63 7.453 -12.791 39.693 No H/Q in entry = 6 In of MODEL 11 1 HA GLN 64 HA GLN 64 4.773 -12.025 37.246 2 HB2 GLN 64 HB2 GLN 64 7.160 -12.611 35.439 3 HG2 GLN 64 HG2 GLN 64 6.810 -10.434 37.517 4 HE21 GLN 64 HE21 GLN 64 8.448 -8.900 37.630 5 HE22 GLN 64 HE22 GLN 64 9.573 -8.629 36.352 6 H GLN 64 HN GLN 64 6.958 -13.884 37.552 7 HB3 GLN 64 HB1 GLN 64 6.083 -11.225 35.291 8 HG3 GLN 64 HG1 GLN 64 7.917 -11.801 37.626 No H/Q in entry = 8 In of MODEL 11 1 HA LEU 65 HA LEU 65 3.699 -15.117 33.727 2 HB2 LEU 65 HB2 LEU 65 5.387 -17.438 34.783 3 HG LEU 65 HG LEU 65 7.049 -15.733 34.385 4 HD11 LEU 65 HD11 LEU 65 7.610 -17.941 33.530 5 HD13 LEU 65 HD12 LEU 65 8.355 -16.672 32.561 6 HD12 LEU 65 HD13 LEU 65 6.933 -17.527 31.951 7 HD23 LEU 65 HD21 LEU 65 7.201 -14.456 32.286 8 HD22 LEU 65 HD22 LEU 65 5.729 -14.107 33.184 9 HD21 LEU 65 HD23 LEU 65 5.661 -15.147 31.757 10 H LEU 65 HN LEU 65 5.514 -15.162 36.084 11 HB3 LEU 65 HB1 LEU 65 4.705 -17.238 33.173 No H/Q in entry = 11 In of MODEL 11 1 HA ARG 66 HA ARG 66 0.915 -17.084 36.704 2 HB2 ARG 66 HB2 ARG 66 1.720 -15.103 38.885 3 HG2 ARG 66 HG2 ARG 66 2.269 -18.084 38.708 4 HD2 ARG 66 HD2 ARG 66 3.292 -17.886 40.910 5 HE ARG 66 HE ARG 66 0.901 -18.349 40.986 6 HH11 ARG 66 HH11 ARG 66 1.845 -15.111 42.038 7 HH12 ARG 66 HH12 ARG 66 0.380 -14.858 42.928 8 HH21 ARG 66 HH21 ARG 66 -1.002 -17.972 42.135 9 HH22 ARG 66 HH22 ARG 66 -1.229 -16.481 42.984 10 H ARG 66 HN ARG 66 2.999 -15.000 36.711 11 HB3 ARG 66 HB1 ARG 66 0.488 -16.357 39.030 12 HG3 ARG 66 HG1 ARG 66 3.473 -16.795 38.681 13 HD3 ARG 66 HD1 ARG 66 2.907 -16.161 40.976 No H/Q in entry = 13 In of MODEL 11 1 HA GLU 67 HA GLU 67 -1.346 -12.936 36.641 2 HB2 GLU 67 HB2 GLU 67 0.882 -10.881 36.482 3 HG2 GLU 67 HG2 GLU 67 1.451 -12.030 38.505 4 H GLU 67 HN GLU 67 1.477 -13.548 36.934 5 HB3 GLU 67 HB1 GLU 67 -0.782 -10.650 37.004 6 HG3 GLU 67 HG1 GLU 67 0.686 -10.500 38.905 No H/Q in entry = 6 In of MODEL 11 1 HA ILE 68 HA ILE 68 -0.707 -12.641 32.268 2 HB ILE 68 HB ILE 68 -1.463 -15.538 32.882 3 HD11 ILE 68 HD11 ILE 68 0.888 -16.776 31.325 4 HD13 ILE 68 HD12 ILE 68 0.581 -17.137 33.029 5 HD12 ILE 68 HD13 ILE 68 2.156 -16.530 32.524 6 H ILE 68 HN ILE 68 -1.895 -13.749 34.733 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 69 HA GLU 69 -5.044 -12.520 31.154 2 HB2 GLU 69 HB2 GLU 69 -4.546 -10.113 31.899 3 HG2 GLU 69 HG2 GLU 69 -6.255 -10.432 29.421 4 H GLU 69 HN GLU 69 -2.231 -11.565 31.193 5 HB3 GLU 69 HB1 GLU 69 -3.960 -9.794 30.272 6 HG3 GLU 69 HG1 GLU 69 -6.788 -10.532 31.098 No H/Q in entry = 6 In of MODEL 11 1 HA ILE 70 HA ILE 70 -4.305 -13.175 26.744 2 HB ILE 70 HB ILE 70 -7.286 -12.495 26.753 3 HD12 ILE 70 HD11 ILE 70 -4.675 -15.161 27.373 4 HD11 ILE 70 HD12 ILE 70 -5.411 -15.696 25.859 5 HD13 ILE 70 HD13 ILE 70 -5.848 -16.477 27.378 6 H ILE 70 HN ILE 70 -6.058 -12.278 28.886 No H/Q in entry = 6 In of MODEL 11 1 HA SER 71 HA SER 71 -3.153 -9.403 24.796 2 HB2 SER 71 HB2 SER 71 -4.372 -10.847 22.403 3 HG SER 71 HG SER 71 -1.686 -10.289 23.153 4 H SER 71 HN SER 71 -4.085 -11.975 24.641 5 HB3 SER 71 HB1 SER 71 -3.595 -9.273 22.255 No H/Q in entry = 5 In of MODEL 11 1 HA PRO 72 HA PRO 72 -6.810 -6.679 24.846 2 HB2 PRO 72 HB2 PRO 72 -5.768 -4.455 23.604 3 HG2 PRO 72 HG2 PRO 72 -3.776 -5.455 22.798 4 HD2 PRO 72 HD2 PRO 72 -2.876 -7.379 23.808 5 HB3 PRO 72 HB1 PRO 72 -5.403 -4.887 25.281 6 HG3 PRO 72 HG1 PRO 72 -3.237 -4.776 24.353 7 HD3 PRO 72 HD1 PRO 72 -3.323 -6.854 25.445 No H/Q in entry = 7 In of MODEL 11 1 HA SER 73 HA SER 73 -7.151 -6.944 20.048 2 HB2 SER 73 HB2 SER 73 -4.764 -8.838 19.792 3 HG SER 73 HG SER 73 -5.029 -6.062 19.579 4 H SER 73 HN SER 73 -5.076 -7.584 21.955 5 HB3 SER 73 HB1 SER 73 -5.737 -8.197 18.461 No H/Q in entry = 5 In of MODEL 11 1 HA3 GLY 74 HA2 GLY 74 -7.805 -11.353 22.821 2 H GLY 74 HN GLY 74 -6.432 -9.578 22.202 3 HA2 GLY 74 HA1 GLY 74 -8.810 -11.085 21.412 No H/Q in entry = 3 In of MODEL 11 1 HA LEU 75 HA LEU 75 -5.927 -13.648 19.016 2 HB2 LEU 75 HB2 LEU 75 -3.914 -11.390 18.927 3 HG LEU 75 HG LEU 75 -5.920 -11.309 17.379 4 HD12 LEU 75 HD11 LEU 75 -4.649 -10.748 15.357 5 HD11 LEU 75 HD12 LEU 75 -3.219 -11.542 16.021 6 HD13 LEU 75 HD13 LEU 75 -3.879 -10.105 16.807 7 HD22 LEU 75 HD21 LEU 75 -6.203 -13.704 16.981 8 HD21 LEU 75 HD22 LEU 75 -4.645 -13.779 16.153 9 HD23 LEU 75 HD23 LEU 75 -5.977 -12.856 15.451 10 H LEU 75 HN LEU 75 -5.793 -11.054 20.189 11 HB3 LEU 75 HB1 LEU 75 -3.498 -12.947 18.228 No H/Q in entry = 11 In of MODEL 11 1 HA3 GLY 76 HA2 GLY 76 -2.436 -15.085 21.639 2 H GLY 76 HN GLY 76 -3.122 -12.318 20.842 3 HA2 GLY 76 HA1 GLY 76 -1.332 -13.719 21.542 No H/Q in entry = 3 In of MODEL 11 1 HA VAL 77 HA VAL 77 -2.520 -13.105 25.747 2 HB VAL 77 HB VAL 77 -0.633 -15.009 25.433 3 H VAL 77 HN VAL 77 -0.764 -12.858 23.407 No H/Q in entry = 3 In of MODEL 11 1 HA TYR 78 HA TYR 78 0.139 -9.649 26.979 2 HB2 TYR 78 HB2 TYR 78 -2.077 -8.641 26.274 3 HD1 TYR 78 HD1 TYR 78 -2.272 -7.376 29.670 4 HD2 TYR 78 HD2 TYR 78 -0.144 -7.004 25.978 5 HE1 TYR 78 HE1 TYR 78 -1.415 -5.182 30.385 6 HE2 TYR 78 HE2 TYR 78 0.712 -4.815 26.688 7 HH TYR 78 HH TYR 78 0.395 -3.655 29.923 8 H TYR 78 HN TYR 78 -2.010 -11.605 27.419 9 HB3 TYR 78 HB1 TYR 78 -2.697 -8.944 27.891 No H/Q in entry = 9 In of MODEL 11 1 HA PHE 79 HA PHE 79 0.583 -11.429 31.095 2 HB2 PHE 79 HB2 PHE 79 3.358 -10.704 30.058 3 HD1 PHE 79 HD1 PHE 79 0.757 -13.230 30.101 4 HD2 PHE 79 HD2 PHE 79 4.804 -12.596 29.471 5 HE1 PHE 79 HE1 PHE 79 0.951 -15.419 29.062 6 HE2 PHE 79 HE2 PHE 79 4.950 -14.782 28.399 7 HZ PHE 79 HZ PHE 79 3.047 -16.216 28.201 8 H PHE 79 HN PHE 79 1.436 -10.525 28.528 9 HB3 PHE 79 HB1 PHE 79 3.036 -11.523 31.582 No H/Q in entry = 9 In of MODEL 11 1 HA GLU 80 HA GLU 80 -0.118 -7.420 32.452 2 HB2 GLU 80 HB2 GLU 80 -1.798 -8.773 33.619 3 HG2 GLU 80 HG2 GLU 80 -0.641 -6.789 35.604 4 H GLU 80 HN GLU 80 0.272 -10.229 32.898 5 HB3 GLU 80 HB1 GLU 80 -0.656 -9.131 34.909 6 HG3 GLU 80 HG1 GLU 80 -1.666 -6.348 34.240 No H/Q in entry = 6 In of MODEL 11 1 HA THR 81 HA THR 81 2.821 -7.133 36.351 2 HB THR 81 HB THR 81 4.403 -9.670 35.767 3 HG1 THR 81 HG1 THR 81 2.795 -9.688 37.979 4 HG21 THR 81 HG21 THR 81 4.281 -7.935 38.262 5 HG23 THR 81 HG22 THR 81 5.640 -8.023 37.138 6 HG22 THR 81 HG23 THR 81 5.193 -9.440 38.094 7 H THR 81 HN THR 81 1.932 -9.281 34.765 No H/Q in entry = 7 In of MODEL 11 1 HA LEU 82 HA LEU 82 6.351 -6.587 33.303 2 HB2 LEU 82 HB2 LEU 82 6.987 -8.105 31.278 3 HG LEU 82 HG LEU 82 4.747 -9.441 31.229 4 HD13 LEU 82 HD11 LEU 82 5.847 -11.512 30.533 5 HD12 LEU 82 HD12 LEU 82 7.347 -11.007 31.321 6 HD11 LEU 82 HD13 LEU 82 6.735 -10.110 29.932 7 HD23 LEU 82 HD21 LEU 82 6.073 -10.937 33.511 8 HD22 LEU 82 HD22 LEU 82 4.592 -11.400 32.670 9 HD21 LEU 82 HD23 LEU 82 4.623 -9.945 33.660 10 H LEU 82 HN LEU 82 3.992 -8.346 33.330 11 HB3 LEU 82 HB1 LEU 82 7.197 -8.723 32.898 No H/Q in entry = 11 In of MODEL 11 1 HA GLU 83 HA GLU 83 1.931 -5.912 30.555 2 HB2 GLU 83 HB2 GLU 83 4.098 -3.780 30.648 3 HG2 GLU 83 HG2 GLU 83 1.418 -3.939 32.055 4 H GLU 83 HN GLU 83 3.222 -6.916 32.095 5 HB3 GLU 83 HB1 GLU 83 2.527 -3.582 29.873 6 HG3 GLU 83 HG1 GLU 83 3.002 -4.074 32.824 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 84 HA GLU 84 4.648 -6.908 26.971 2 HB2 GLU 84 HB2 GLU 84 5.582 -9.270 28.631 3 HG2 GLU 84 HG2 GLU 84 6.595 -7.156 29.364 4 H GLU 84 HN GLU 84 3.819 -7.844 29.645 5 HB3 GLU 84 HB1 GLU 84 6.106 -8.961 26.981 6 HG3 GLU 84 HG1 GLU 84 7.761 -8.248 28.629 No H/Q in entry = 6 In of MODEL 11 1 HA ASP 85 HA ASP 85 1.668 -9.735 25.379 2 HB2 ASP 85 HB2 ASP 85 1.428 -7.385 24.397 3 H ASP 85 HN ASP 85 4.032 -7.962 25.173 4 HB3 ASP 85 HB1 ASP 85 2.491 -7.873 23.090 No H/Q in entry = 4 In of MODEL 11 1 HA VAL 86 HA VAL 86 3.996 -12.356 22.554 2 HB VAL 86 HB VAL 86 2.376 -14.467 24.096 3 H VAL 86 HN VAL 86 1.869 -11.790 24.556 No H/Q in entry = 3 In of MODEL 11 1 HA SER 87 HA SER 87 0.308 -12.002 20.032 2 HB2 SER 87 HB2 SER 87 1.883 -10.412 18.920 3 HG SER 87 HG SER 87 0.210 -10.512 17.641 4 H SER 87 HN SER 87 3.046 -11.765 20.662 5 HB3 SER 87 HB1 SER 87 2.633 -11.775 18.082 No H/Q in entry = 5 In of MODEL 11 1 HA LEU 88 HA LEU 88 0.058 -16.305 19.463 2 HB2 LEU 88 HB2 LEU 88 -2.333 -15.411 19.753 3 HG LEU 88 HG LEU 88 -2.019 -17.883 18.021 4 HD13 LEU 88 HD11 LEU 88 -2.127 -19.107 20.130 5 HD12 LEU 88 HD12 LEU 88 -2.248 -17.598 21.032 6 HD11 LEU 88 HD13 LEU 88 -0.772 -17.981 20.140 7 HD22 LEU 88 HD21 LEU 88 -4.260 -18.509 18.778 8 HD21 LEU 88 HD22 LEU 88 -4.316 -16.976 17.917 9 HD23 LEU 88 HD23 LEU 88 -4.406 -16.999 19.680 10 H LEU 88 HN LEU 88 -0.855 -13.665 19.373 11 HB3 LEU 88 HB1 LEU 88 -2.448 -15.403 18.009 No H/Q in entry = 11 In of MODEL 11 1 HA ILE 89 HA ILE 89 -0.466 -16.093 14.662 2 HB ILE 89 HB ILE 89 0.117 -13.105 14.443 3 HD12 ILE 89 HD11 ILE 89 -2.609 -15.695 14.900 4 HD11 ILE 89 HD12 ILE 89 -2.862 -15.159 13.235 5 HD13 ILE 89 HD13 ILE 89 -3.906 -14.563 14.524 6 H ILE 89 HN ILE 89 -0.549 -14.164 16.729 No H/Q in entry = 6 In of MODEL 11 1 HA3 GLY 90 HA2 GLY 90 4.215 -14.630 14.556 2 H GLY 90 HN GLY 90 1.993 -14.034 16.145 3 HA2 GLY 90 HA1 GLY 90 4.267 -14.236 16.275 No H/Q in entry = 3 In of MODEL 11 1 HA LEU 91 HA LEU 91 4.842 -18.415 17.582 2 HB2 LEU 91 HB2 LEU 91 1.899 -18.534 18.367 3 HG LEU 91 HG LEU 91 2.915 -16.675 19.588 4 HD13 LEU 91 HD11 LEU 91 2.512 -17.445 21.886 5 HD12 LEU 91 HD12 LEU 91 2.553 -19.125 21.342 6 HD11 LEU 91 HD13 LEU 91 1.284 -18.037 20.768 7 HD22 LEU 91 HD21 LEU 91 5.270 -17.249 19.388 8 HD21 LEU 91 HD22 LEU 91 5.061 -18.646 20.446 9 HD23 LEU 91 HD23 LEU 91 4.853 -17.014 21.085 10 H LEU 91 HN LEU 91 2.865 -16.386 17.361 11 HB3 LEU 91 HB1 LEU 91 3.145 -19.638 18.931 No H/Q in entry = 11 In of MODEL 11 1 HA LEU 92 HA LEU 92 1.812 -20.818 14.681 2 HB2 LEU 92 HB2 LEU 92 0.363 -18.285 13.821 3 HG LEU 92 HG LEU 92 -0.238 -19.045 16.161 4 HD13 LEU 92 HD11 LEU 92 -2.660 -18.914 15.844 5 HD12 LEU 92 HD12 LEU 92 -2.465 -19.216 14.114 6 HD11 LEU 92 HD13 LEU 92 -1.811 -17.742 14.836 7 HD21 LEU 92 HD21 LEU 92 0.073 -21.465 15.863 8 HD23 LEU 92 HD22 LEU 92 -1.308 -21.524 14.764 9 HD22 LEU 92 HD23 LEU 92 -1.545 -21.100 16.462 10 H LEU 92 HN LEU 92 1.858 -18.153 15.744 11 HB3 LEU 92 HB1 LEU 92 -0.027 -19.897 13.239 No H/Q in entry = 11 In of MODEL 11 1 HA GLU 93 HA GLU 93 4.193 -18.723 11.120 2 HB2 GLU 93 HB2 GLU 93 4.877 -16.247 12.771 3 HG2 GLU 93 HG2 GLU 93 3.202 -16.457 10.251 4 H GLU 93 HN GLU 93 3.346 -17.828 13.774 5 HB3 GLU 93 HB1 GLU 93 5.481 -16.544 11.143 6 HG3 GLU 93 HG1 GLU 93 2.554 -16.239 11.876 No H/Q in entry = 6 In of MODEL 11 1 HA3 GLY 94 HA2 GLY 94 7.026 -20.429 15.095 2 H GLY 94 HN GLY 94 5.229 -19.119 14.339 3 HA2 GLY 94 HA1 GLY 94 7.814 -20.254 13.538 No H/Q in entry = 3 In of MODEL 11 1 HA ARG 95 HA ARG 95 9.509 -16.323 15.061 2 HB2 ARG 95 HB2 ARG 95 8.137 -15.117 13.356 3 HG2 ARG 95 HG2 ARG 95 8.508 -13.379 15.821 4 HD2 ARG 95 HD2 ARG 95 8.904 -11.562 14.175 5 HE ARG 95 HE ARG 95 6.637 -11.642 14.955 6 HH11 ARG 95 HH11 ARG 95 7.080 -13.105 11.777 7 HH12 ARG 95 HH12 ARG 95 5.408 -12.968 11.353 8 HH21 ARG 95 HH21 ARG 95 4.438 -11.474 14.353 9 HH22 ARG 95 HH22 ARG 95 3.918 -12.065 12.809 10 H ARG 95 HN ARG 95 6.930 -17.235 14.181 11 HB3 ARG 95 HB1 ARG 95 6.921 -14.779 14.581 12 HG3 ARG 95 HG1 ARG 95 9.785 -13.774 14.672 13 HD3 ARG 95 HD1 ARG 95 8.475 -12.662 12.862 No H/Q in entry = 13 In of MODEL 11 1 HA ARG 96 HA ARG 96 8.271 -16.550 19.296 2 HB2 ARG 96 HB2 ARG 96 11.260 -16.099 19.093 3 HG2 ARG 96 HG2 ARG 96 9.802 -18.586 20.030 4 HD2 ARG 96 HD2 ARG 96 12.564 -18.396 18.829 5 HE ARG 96 HE ARG 96 11.837 -20.343 20.867 6 HH11 ARG 96 HH11 ARG 96 12.219 -19.789 17.406 7 HH12 ARG 96 HH12 ARG 96 12.445 -21.473 17.056 8 HH21 ARG 96 HH21 ARG 96 12.205 -22.504 20.410 9 HH22 ARG 96 HH22 ARG 96 12.447 -23.020 18.771 10 H ARG 96 HN ARG 96 10.097 -15.972 17.111 11 HB3 ARG 96 HB1 ARG 96 10.454 -16.368 20.638 12 HG3 ARG 96 HG1 ARG 96 10.255 -18.339 18.339 13 HD3 ARG 96 HD1 ARG 96 12.305 -18.113 20.546 No H/Q in entry = 13 In of MODEL 11 1 HA3 GLY 97 HA2 GLY 97 7.266 -12.099 19.461 2 H GLY 97 HN GLY 97 8.345 -13.848 17.754 3 HA2 GLY 97 HA1 GLY 97 8.983 -11.888 19.814 No H/Q in entry = 3 In of MODEL 11 1 HA SER 98 HA SER 98 8.952 -9.521 16.048 2 HB2 SER 98 HB2 SER 98 9.241 -7.672 17.654 3 HG SER 98 HG SER 98 9.782 -6.842 15.770 4 H SER 98 HN SER 98 9.861 -10.246 18.746 5 HB3 SER 98 HB1 SER 98 10.910 -8.157 17.950 No H/Q in entry = 5 In of MODEL 11 1 HA ALA 99 HA ALA 99 12.488 -11.467 14.173 2 HB2 ALA 99 HB1 ALA 99 12.896 -10.603 11.891 3 HB3 ALA 99 HB2 ALA 99 11.834 -9.231 12.220 4 HB1 ALA 99 HB3 ALA 99 11.175 -10.867 12.178 5 H ALA 99 HN ALA 99 10.391 -9.531 14.272 No H/Q in entry = 5 In of MODEL 11 1 HA LYS 100 HA LYS 100 15.077 -7.298 14.649 2 HB2 LYS 100 HB2 LYS 100 13.264 -5.638 14.595 3 HG2 LYS 100 HG2 LYS 100 14.871 -5.332 17.144 4 HD2 LYS 100 HD2 LYS 100 13.551 -3.199 15.429 5 HE2 LYS 100 HE2 LYS 100 14.237 -1.649 17.204 6 HZ1 LYS 100 HZ1 LYS 100 15.760 -2.037 15.326 7 HZ3 LYS 100 HZ2 LYS 100 16.586 -3.191 16.253 8 HZ2 LYS 100 HZ3 LYS 100 16.563 -1.570 16.742 9 H LYS 100 HN LYS 100 12.356 -7.993 14.618 10 HB3 LYS 100 HB1 LYS 100 12.732 -6.135 16.199 11 HG3 LYS 100 HG1 LYS 100 15.383 -4.828 15.530 12 HD3 LYS 100 HD1 LYS 100 12.955 -3.737 17.004 13 HE3 LYS 100 HE1 LYS 100 15.049 -2.966 18.053 No H/Q in entry = 13 In of MODEL 11 1 HA TRP 101 HA TRP 101 14.703 -8.297 19.419 2 HB2 TRP 101 HB2 TRP 101 12.320 -8.524 19.876 3 HD1 TRP 101 HD1 TRP 101 13.704 -8.602 22.279 4 HE1 TRP 101 HE1 TRP 101 14.097 -10.543 23.921 5 HE3 TRP 101 HE3 TRP 101 12.443 -12.504 19.244 6 HZ2 TRP 101 HZ2 TRP 101 13.912 -13.351 23.917 7 HZ3 TRP 101 HZ3 TRP 101 12.583 -14.790 20.141 8 HH2 TRP 101 HH2 TRP 101 13.304 -15.199 22.435 9 H TRP 101 HN TRP 101 12.905 -8.299 17.292 10 HB3 TRP 101 HB1 TRP 101 12.245 -10.049 18.990 No H/Q in entry = 10 In of MODEL 11 1 HA MET 102 HA MET 102 15.416 -12.989 18.515 2 HB2 MET 102 HB2 MET 102 14.436 -12.849 15.634 3 HG2 MET 102 HG2 MET 102 13.392 -14.403 18.011 4 HE2 MET 102 HE1 MET 102 13.257 -13.770 14.102 5 HE1 MET 102 HE2 MET 102 11.676 -13.219 14.668 6 HE3 MET 102 HE3 MET 102 11.802 -14.675 13.680 7 H MET 102 HN MET 102 13.856 -11.013 17.230 8 HB3 MET 102 HB1 MET 102 15.219 -14.266 16.325 9 HG3 MET 102 HG1 MET 102 12.582 -13.062 17.200 No H/Q in entry = 9 In of MODEL 11 1 HA ALA 103 HA ALA 103 18.750 -11.795 15.266 2 HB3 ALA 103 HB1 ALA 103 17.497 -10.261 13.804 3 HB2 ALA 103 HB2 ALA 103 19.133 -9.662 14.081 4 HB1 ALA 103 HB3 ALA 103 17.766 -8.935 14.934 5 H ALA 103 HN ALA 103 16.284 -10.570 16.102 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 104 HA GLU 104 20.638 -8.752 18.318 2 HB2 GLU 104 HB2 GLU 104 18.121 -7.403 19.399 3 HG2 GLU 104 HG2 GLU 104 19.730 -6.790 16.897 4 H GLU 104 HN GLU 104 17.815 -9.397 17.700 5 HB3 GLU 104 HB1 GLU 104 19.781 -6.801 19.468 6 HG3 GLU 104 HG1 GLU 104 18.005 -7.069 17.032 No H/Q in entry = 6 In of MODEL 11 1 HA HIS 105 HA HIS 105 19.442 -11.076 22.115 2 HB2 HIS 105 HB2 HIS 105 16.446 -11.328 21.560 3 HD1 HIS 105 HD1 HIS 105 17.071 -9.727 24.689 4 HD2 HIS 105 HD2 HIS 105 16.861 -8.463 20.740 5 HE1 HIS 105 HE1 HIS 105 16.658 -7.250 24.780 6 HE2 HIS 105 HE2 HIS 105 16.548 -6.503 22.391 7 H HIS 105 HN HIS 105 18.110 -10.688 19.491 8 HB3 HIS 105 HB1 HIS 105 17.237 -11.631 23.101 No H/Q in entry = 8 In of MODEL 11 1 HA PRO 106 HA PRO 106 19.826 -14.831 19.430 2 HB2 PRO 106 HB2 PRO 106 22.129 -15.784 20.633 3 HG2 PRO 106 HG2 PRO 106 22.245 -14.181 22.355 4 HD2 PRO 106 HD2 PRO 106 21.172 -12.086 22.165 5 HB3 PRO 106 HB1 PRO 106 22.122 -14.557 19.362 6 HG3 PRO 106 HG1 PRO 106 23.242 -13.418 21.094 7 HD3 PRO 106 HD1 PRO 106 21.515 -11.967 20.427 No H/Q in entry = 7 In of MODEL 11 1 HA LEU 107 HA LEU 107 18.824 -18.000 22.456 2 HB2 LEU 107 HB2 LEU 107 16.795 -17.333 21.134 3 HG LEU 107 HG LEU 107 17.069 -20.341 21.533 4 HD12 LEU 107 HD11 LEU 107 15.650 -19.984 23.500 5 HD11 LEU 107 HD12 LEU 107 15.654 -18.245 23.196 6 HD13 LEU 107 HD13 LEU 107 17.158 -19.076 23.605 7 HD21 LEU 107 HD21 LEU 107 15.395 -19.976 19.801 8 HD23 LEU 107 HD22 LEU 107 14.554 -18.808 20.824 9 HD22 LEU 107 HD23 LEU 107 14.628 -20.507 21.300 10 H LEU 107 HN LEU 107 19.644 -17.047 19.780 11 HB3 LEU 107 HB1 LEU 107 17.291 -18.419 19.849 No H/Q in entry = 11 In of MODEL 11 1 HA ALA 108 HA ALA 108 21.124 -21.550 21.027 2 HB2 ALA 108 HB1 ALA 108 21.115 -23.354 22.709 3 HB3 ALA 108 HB2 ALA 108 19.822 -22.538 23.594 4 HB1 ALA 108 HB3 ALA 108 21.414 -21.786 23.462 5 H ALA 108 HN ALA 108 19.369 -20.156 22.841 No H/Q in entry = 5 In of MODEL 11 1 HA SER 109 HA SER 109 18.110 -24.048 18.990 2 HB2 SER 109 HB2 SER 109 16.401 -22.627 17.715 3 HG SER 109 HG SER 109 18.174 -20.643 18.535 4 H SER 109 HN SER 109 20.012 -21.889 19.153 5 HB3 SER 109 HB1 SER 109 16.491 -22.307 19.446 No H/Q in entry = 5 In of MODEL 12 1 H1 MET 1 HT2 MET 1 -9.628 -6.450 -1.003 2 H2 MET 1 HT1 MET 1 -9.657 -8.099 -0.633 3 H3 MET 1 HT3 MET 1 -11.089 -7.199 -0.596 4 HB3 MET 1 HB1 MET 1 -11.573 -7.940 1.728 5 HG3 MET 1 HG1 MET 1 -9.885 -9.628 0.811 6 HA MET 1 HA MET 1 -10.279 -5.888 1.237 7 HB2 MET 1 HB2 MET 1 -10.406 -7.602 2.996 8 HG2 MET 1 HG2 MET 1 -10.666 -10.034 2.338 9 HE2 MET 1 HE1 MET 1 -7.926 -11.428 1.186 10 HE1 MET 1 HE2 MET 1 -8.719 -11.938 2.678 11 HE3 MET 1 HE3 MET 1 -6.999 -11.547 2.681 No H/Q in entry = 11 In of MODEL 12 1 HA GLU 2 HA GLU 2 -5.832 -7.496 1.700 2 HB2 GLU 2 HB2 GLU 2 -5.897 -9.456 0.122 3 HG2 GLU 2 HG2 GLU 2 -3.523 -9.594 -0.400 4 H GLU 2 HN GLU 2 -7.878 -7.805 -0.308 5 HB3 GLU 2 HB1 GLU 2 -5.497 -8.367 -1.201 6 HG3 GLU 2 HG1 GLU 2 -3.338 -7.857 -0.182 No H/Q in entry = 6 In of MODEL 12 1 HA VAL 3 HA VAL 3 -3.998 -3.861 0.167 2 HB VAL 3 HB VAL 3 -6.278 -3.180 -0.500 3 H VAL 3 HN VAL 3 -5.579 -5.363 2.065 No H/Q in entry = 3 In of MODEL 12 1 HA SER 4 HA SER 4 -2.406 -2.720 4.169 2 HB2 SER 4 HB2 SER 4 -0.110 -1.729 3.806 3 HG SER 4 HG SER 4 -0.374 -0.888 1.736 4 H SER 4 HN SER 4 -2.334 -3.135 1.330 5 HB3 SER 4 HB1 SER 4 -0.292 -3.351 3.136 No H/Q in entry = 5 In of MODEL 12 1 HA ALA 5 HA ALA 5 -3.671 1.519 3.915 2 HB1 ALA 5 HB1 ALA 5 -6.297 0.199 3.125 3 HB2 ALA 5 HB2 ALA 5 -5.090 0.852 2.018 4 HB3 ALA 5 HB3 ALA 5 -5.964 1.935 3.103 5 H ALA 5 HN ALA 5 -4.236 -1.338 4.348 No H/Q in entry = 5 In of MODEL 12 1 HA ASN 6 HA ASN 6 -4.879 0.894 8.213 2 HB2 ASN 6 HB2 ASN 6 -2.895 3.201 8.047 3 HD21 ASN 6 HD21 ASN 6 -1.398 2.131 10.224 4 HD22 ASN 6 HD22 ASN 6 -0.538 0.754 9.636 5 H ASN 6 HN ASN 6 -3.289 1.809 6.040 6 HB3 ASN 6 HB1 ASN 6 -3.559 2.558 9.545 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 7 HA GLU 7 -6.897 5.288 7.591 2 HB2 GLU 7 HB2 GLU 7 -7.253 6.500 5.480 3 HG2 GLU 7 HG2 GLU 7 -5.496 4.472 4.062 4 H GLU 7 HN GLU 7 -5.021 3.720 6.139 5 HB3 GLU 7 HB1 GLU 7 -5.538 6.213 5.737 6 HG3 GLU 7 HG1 GLU 7 -7.252 4.479 3.924 No H/Q in entry = 6 In of MODEL 12 1 HA LEU 8 HA LEU 8 -10.154 2.687 5.302 2 HB2 LEU 8 HB2 LEU 8 -8.563 1.984 3.395 3 HG LEU 8 HG LEU 8 -9.940 0.537 2.231 4 HD11 LEU 8 HD11 LEU 8 -9.692 -1.423 3.647 5 HD13 LEU 8 HD12 LEU 8 -11.353 -1.216 3.104 6 HD12 LEU 8 HD13 LEU 8 -10.908 -0.798 4.761 7 HD21 LEU 8 HD21 LEU 8 -11.227 2.503 2.880 8 HD23 LEU 8 HD22 LEU 8 -11.833 1.660 4.309 9 HD22 LEU 8 HD23 LEU 8 -12.268 1.092 2.695 10 H LEU 8 HN LEU 8 -7.232 2.513 5.486 11 HB3 LEU 8 HB1 LEU 8 -8.303 0.488 4.258 No H/Q in entry = 11 In of MODEL 12 1 HA GLU 9 HA GLU 9 -7.849 0.569 9.423 2 HB2 GLU 9 HB2 GLU 9 -9.698 0.210 10.820 3 HG2 GLU 9 HG2 GLU 9 -11.644 0.139 8.508 4 H GLU 9 HN GLU 9 -8.054 1.833 7.619 5 HB3 GLU 9 HB1 GLU 9 -10.198 1.566 9.821 6 HG3 GLU 9 HG1 GLU 9 -11.040 -1.303 9.318 No H/Q in entry = 6 In of MODEL 12 1 HA ALA 10 HA ALA 10 -8.765 -3.321 6.727 2 HB3 ALA 10 HB1 ALA 10 -7.096 -3.789 4.973 3 HB2 ALA 10 HB2 ALA 10 -6.222 -2.316 5.413 4 HB1 ALA 10 HB3 ALA 10 -7.853 -2.210 4.746 5 H ALA 10 HN ALA 10 -7.659 -0.739 6.784 No H/Q in entry = 5 In of MODEL 12 1 HA ALA 11 HA ALA 11 -4.695 -4.615 9.034 2 HB2 ALA 11 HB1 ALA 11 -3.407 -2.519 9.037 3 HB3 ALA 11 HB2 ALA 11 -3.348 -3.304 10.619 4 HB1 ALA 11 HB3 ALA 11 -4.391 -1.903 10.365 5 H ALA 11 HN ALA 11 -5.900 -2.102 8.349 No H/Q in entry = 5 In of MODEL 12 1 HA SER 12 HA SER 12 -7.114 -3.824 13.259 2 HB2 SER 12 HB2 SER 12 -9.135 -1.969 11.915 3 HG SER 12 HG SER 12 -6.881 -1.554 13.507 4 H SER 12 HN SER 12 -6.801 -2.338 10.887 5 HB3 SER 12 HB1 SER 12 -9.207 -2.502 13.597 No H/Q in entry = 5 In of MODEL 12 1 HA SER 13 HA SER 13 -11.049 -5.680 10.878 2 HB2 SER 13 HB2 SER 13 -9.740 -5.083 8.170 3 HG SER 13 HG SER 13 -11.623 -3.710 9.724 4 H SER 13 HN SER 13 -9.103 -3.775 10.336 5 HB3 SER 13 HB1 SER 13 -11.318 -5.838 8.411 No H/Q in entry = 5 In of MODEL 12 1 HA ARG 14 HA ARG 14 -7.827 -8.763 8.930 2 HB2 ARG 14 HB2 ARG 14 -6.155 -7.086 8.022 3 HG2 ARG 14 HG2 ARG 14 -4.159 -8.539 8.022 4 HD2 ARG 14 HD2 ARG 14 -5.170 -10.576 7.077 5 HE ARG 14 HE ARG 14 -6.996 -8.463 6.193 6 HH11 ARG 14 HH11 ARG 14 -3.912 -10.094 5.712 7 HH12 ARG 14 HH12 ARG 14 -3.685 -9.447 4.117 8 HH21 ARG 14 HH21 ARG 14 -6.650 -7.595 4.095 9 HH22 ARG 14 HH22 ARG 14 -5.219 -8.030 3.222 10 H ARG 14 HN ARG 14 -7.780 -6.008 9.528 11 HB3 ARG 14 HB1 ARG 14 -5.347 -7.105 9.582 12 HG3 ARG 14 HG1 ARG 14 -4.878 -9.534 9.295 13 HD3 ARG 14 HD1 ARG 14 -6.727 -10.150 7.779 No H/Q in entry = 13 In of MODEL 12 1 HA MET 15 HA MET 15 -5.703 -9.095 13.331 2 HB2 MET 15 HB2 MET 15 -7.438 -6.930 14.599 3 HG2 MET 15 HG2 MET 15 -5.867 -5.718 13.247 4 HE3 MET 15 HE1 MET 15 -3.156 -6.674 15.903 5 HE2 MET 15 HE2 MET 15 -2.222 -7.904 15.049 6 HE1 MET 15 HE3 MET 15 -3.864 -8.258 15.580 7 H MET 15 HN MET 15 -6.885 -6.999 11.877 8 HB3 MET 15 HB1 MET 15 -6.147 -7.848 15.369 9 HG3 MET 15 HG1 MET 15 -5.374 -5.618 14.933 No H/Q in entry = 9 In of MODEL 12 1 HA GLU 16 HA GLU 16 -10.165 -10.085 14.828 2 HB2 GLU 16 HB2 GLU 16 -11.486 -8.172 12.872 3 HG2 GLU 16 HG2 GLU 16 -11.404 -8.152 15.913 4 H GLU 16 HN GLU 16 -9.092 -8.054 13.118 5 HB3 GLU 16 HB1 GLU 16 -12.382 -9.247 13.947 6 HG3 GLU 16 HG1 GLU 16 -10.417 -7.124 14.870 No H/Q in entry = 6 In of MODEL 12 1 HA MET 17 HA MET 17 -11.076 -12.157 10.507 2 HB2 MET 17 HB2 MET 17 -8.557 -10.873 9.343 3 HG2 MET 17 HG2 MET 17 -11.380 -10.771 8.267 4 HE3 MET 17 HE1 MET 17 -10.658 -8.001 5.570 5 HE2 MET 17 HE2 MET 17 -11.162 -7.745 7.241 6 HE1 MET 17 HE3 MET 17 -11.882 -9.047 6.291 7 H MET 17 HN MET 17 -9.653 -9.857 11.353 8 HB3 MET 17 HB1 MET 17 -9.440 -12.177 8.555 9 HG3 MET 17 HG1 MET 17 -10.640 -9.485 9.223 No H/Q in entry = 9 In of MODEL 12 1 HA LEU 18 HA LEU 18 -6.825 -14.367 11.323 2 HB2 LEU 18 HB2 LEU 18 -5.865 -12.160 13.175 3 HG LEU 18 HG LEU 18 -5.618 -11.558 10.761 4 HD13 LEU 18 HD11 LEU 18 -3.237 -10.965 10.830 5 HD12 LEU 18 HD12 LEU 18 -2.989 -12.078 12.179 6 HD11 LEU 18 HD13 LEU 18 -4.028 -10.663 12.378 7 HD22 LEU 18 HD21 LEU 18 -4.075 -12.796 9.315 8 HD21 LEU 18 HD22 LEU 18 -5.431 -13.805 9.808 9 HD23 LEU 18 HD23 LEU 18 -3.854 -14.017 10.573 10 H LEU 18 HN LEU 18 -7.756 -11.714 11.706 11 HB3 LEU 18 HB1 LEU 18 -4.977 -13.649 12.880 No H/Q in entry = 11 In of MODEL 12 1 HA GLN 19 HA GLN 19 -8.194 -14.563 16.115 2 HB2 GLN 19 HB2 GLN 19 -10.519 -12.731 15.392 3 HG2 GLN 19 HG2 GLN 19 -8.485 -12.333 17.592 4 HE21 GLN 19 HE21 GLN 19 -8.545 -9.486 16.773 5 HE22 GLN 19 HE22 GLN 19 -10.004 -8.848 17.438 6 H GLN 19 HN GLN 19 -8.416 -12.713 14.023 7 HB3 GLN 19 HB1 GLN 19 -10.415 -13.604 16.918 8 HG3 GLN 19 HG1 GLN 19 -8.356 -11.583 15.999 No H/Q in entry = 8 In of MODEL 12 1 HA ARG 20 HA ARG 20 -12.078 -16.701 14.526 2 HB2 ARG 20 HB2 ARG 20 -13.772 -16.086 12.826 3 HG2 ARG 20 HG2 ARG 20 -11.860 -13.846 12.112 4 HD2 ARG 20 HD2 ARG 20 -14.115 -12.881 12.433 5 HE ARG 20 HE ARG 20 -15.131 -15.191 11.265 6 HH11 ARG 20 HH11 ARG 20 -15.569 -11.719 10.835 7 HH12 ARG 20 HH12 ARG 20 -17.199 -11.894 10.277 8 HH21 ARG 20 HH21 ARG 20 -17.267 -15.382 10.539 9 HH22 ARG 20 HH22 ARG 20 -18.171 -13.955 10.136 10 H ARG 20 HN ARG 20 -10.761 -14.255 13.691 11 HB3 ARG 20 HB1 ARG 20 -13.417 -14.751 13.914 12 HG3 ARG 20 HG1 ARG 20 -12.529 -15.070 11.028 13 HD3 ARG 20 HD1 ARG 20 -13.603 -12.856 10.743 No H/Q in entry = 13 In of MODEL 12 1 HA GLU 21 HA GLU 21 -10.252 -17.879 10.216 2 HB2 GLU 21 HB2 GLU 21 -8.950 -15.842 9.669 3 HG2 GLU 21 HG2 GLU 21 -6.977 -16.806 8.490 4 H GLU 21 HN GLU 21 -9.642 -15.904 12.224 5 HB3 GLU 21 HB1 GLU 21 -7.659 -16.360 10.740 6 HG3 GLU 21 HG1 GLU 21 -7.290 -18.352 9.277 No H/Q in entry = 6 In of MODEL 12 1 HA TYR 22 HA TYR 22 -7.000 -20.467 12.333 2 HB2 TYR 22 HB2 TYR 22 -5.426 -18.301 13.812 3 HD1 TYR 22 HD1 TYR 22 -4.611 -16.596 12.406 4 HD2 TYR 22 HD2 TYR 22 -5.104 -20.514 10.762 5 HE1 TYR 22 HE1 TYR 22 -3.764 -15.802 10.244 6 HE2 TYR 22 HE2 TYR 22 -4.252 -19.707 8.601 7 HH TYR 22 HH TYR 22 -4.095 -17.530 7.385 8 H TYR 22 HN TYR 22 -7.663 -17.614 12.676 9 HB3 TYR 22 HB1 TYR 22 -4.867 -19.930 13.430 No H/Q in entry = 9 In of MODEL 12 1 HA SER 23 HA SER 23 -8.870 -19.560 16.681 2 HB2 SER 23 HB2 SER 23 -6.017 -20.366 17.430 3 HG SER 23 HG SER 23 -8.199 -21.701 16.365 4 H SER 23 HN SER 23 -6.732 -18.370 15.208 5 HB3 SER 23 HB1 SER 23 -7.406 -20.556 18.502 No H/Q in entry = 5 In of MODEL 12 1 HA THR 24 HA THR 24 -7.416 -16.241 19.356 2 HB THR 24 HB THR 24 -9.282 -15.777 21.066 3 HG1 THR 24 HG1 THR 24 -10.689 -17.710 19.499 4 HG22 THR 24 HG21 THR 24 -10.092 -15.760 18.138 5 HG21 THR 24 HG22 THR 24 -9.148 -14.511 18.956 6 HG23 THR 24 HG23 THR 24 -10.826 -14.797 19.422 7 H THR 24 HN THR 24 -9.120 -18.565 18.717 No H/Q in entry = 7 In of MODEL 12 1 HA LEU 25 HA LEU 25 -5.849 -18.662 22.711 2 HB2 LEU 25 HB2 LEU 25 -4.205 -16.690 22.398 3 HG LEU 25 HG LEU 25 -4.481 -17.753 25.243 4 HD11 LEU 25 HD11 LEU 25 -4.355 -19.564 23.614 5 HD13 LEU 25 HD12 LEU 25 -2.876 -19.463 24.559 6 HD12 LEU 25 HD13 LEU 25 -2.904 -18.848 22.901 7 HD23 LEU 25 HD21 LEU 25 -2.063 -17.280 25.423 8 HD22 LEU 25 HD22 LEU 25 -3.001 -15.812 25.158 9 HD21 LEU 25 HD23 LEU 25 -2.093 -16.530 23.824 10 H LEU 25 HN LEU 25 -6.382 -16.157 21.374 11 HB3 LEU 25 HB1 LEU 25 -5.072 -15.892 23.708 No H/Q in entry = 11 In of MODEL 12 1 HA ARG 26 HA ARG 26 -9.059 -17.792 25.647 2 HB2 ARG 26 HB2 ARG 26 -10.204 -19.812 26.285 3 HG2 ARG 26 HG2 ARG 26 -8.033 -21.517 25.033 4 HD2 ARG 26 HD2 ARG 26 -10.263 -22.522 24.926 5 HE ARG 26 HE ARG 26 -10.509 -21.566 27.655 6 HH11 ARG 26 HH11 ARG 26 -11.778 -23.892 25.380 7 HH12 ARG 26 HH12 ARG 26 -13.322 -23.980 26.153 8 HH21 ARG 26 HH21 ARG 26 -12.543 -21.660 28.642 9 HH22 ARG 26 HH22 ARG 26 -13.757 -22.714 27.994 10 H ARG 26 HN ARG 26 -6.969 -19.483 24.423 11 HB3 ARG 26 HB1 ARG 26 -9.791 -19.918 24.581 12 HG3 ARG 26 HG1 ARG 26 -8.192 -21.282 26.774 13 HD3 ARG 26 HD1 ARG 26 -9.254 -23.376 26.103 No H/Q in entry = 13 In of MODEL 12 1 HA SER 27 HA SER 27 -6.133 -18.735 29.175 2 HB2 SER 27 HB2 SER 27 -6.334 -21.751 28.676 3 HG SER 27 HG SER 27 -8.243 -19.864 29.399 4 H SER 27 HN SER 27 -6.244 -19.788 26.457 5 HB3 SER 27 HB1 SER 27 -6.085 -20.974 30.239 No H/Q in entry = 5 In of MODEL 12 1 HA VAL 28 HA VAL 28 -1.959 -20.455 28.685 2 HB VAL 28 HB VAL 28 -1.651 -17.780 30.145 3 H VAL 28 HN VAL 28 -4.125 -19.158 30.213 No H/Q in entry = 3 In of MODEL 12 1 HA GLN 29 HA GLN 29 -0.626 -21.433 32.883 2 HB2 GLN 29 HB2 GLN 29 -0.741 -23.957 32.969 3 HG2 GLN 29 HG2 GLN 29 -1.510 -23.730 30.048 4 HE21 GLN 29 HE21 GLN 29 -0.669 -26.468 29.604 5 HE22 GLN 29 HE22 GLN 29 -1.901 -27.477 30.267 6 H GLN 29 HN GLN 29 -0.476 -21.510 29.970 7 HB3 GLN 29 HB1 GLN 29 -2.209 -23.202 32.353 8 HG3 GLN 29 HG1 GLN 29 -0.048 -24.494 30.655 No H/Q in entry = 8 In of MODEL 12 1 HA TYR 30 HA TYR 30 3.708 -21.977 31.937 2 HB2 TYR 30 HB2 TYR 30 3.958 -19.954 33.318 3 HD1 TYR 30 HD1 TYR 30 5.382 -21.824 36.040 4 HD2 TYR 30 HD2 TYR 30 6.076 -20.728 31.972 5 HE1 TYR 30 HE1 TYR 30 7.762 -22.393 36.290 6 HE2 TYR 30 HE2 TYR 30 8.460 -21.297 32.229 7 HH TYR 30 HH TYR 30 10.135 -21.470 34.071 8 H TYR 30 HN TYR 30 1.427 -21.168 33.525 9 HB3 TYR 30 HB1 TYR 30 3.582 -20.858 34.784 No H/Q in entry = 9 In of MODEL 12 1 HA ARG 31 HA ARG 31 3.352 -25.986 33.944 2 HB2 ARG 31 HB2 ARG 31 4.184 -26.533 31.061 3 HG2 ARG 31 HG2 ARG 31 1.532 -27.018 32.465 4 HD2 ARG 31 HD2 ARG 31 0.722 -27.676 30.197 5 HE ARG 31 HE ARG 31 2.490 -29.369 31.708 6 HH11 ARG 31 HH11 ARG 31 0.448 -29.248 28.831 7 HH12 ARG 31 HH12 ARG 31 0.270 -30.971 28.760 8 HH21 ARG 31 HH21 ARG 31 2.237 -31.628 31.568 9 HH22 ARG 31 HH22 ARG 31 1.286 -32.313 30.292 10 H ARG 31 HN ARG 31 3.739 -24.177 31.704 11 HB3 ARG 31 HB1 ARG 31 3.894 -27.785 32.269 12 HG3 ARG 31 HG1 ARG 31 1.842 -25.799 31.225 13 HD3 ARG 31 HD1 ARG 31 2.384 -27.639 29.618 No H/Q in entry = 13 In of MODEL 12 1 HA SER 32 HA SER 32 7.720 -25.239 34.869 2 HB2 SER 32 HB2 SER 32 7.939 -25.515 37.374 3 HG SER 32 HG SER 32 6.225 -26.901 37.818 4 H SER 32 HN SER 32 4.939 -25.463 35.402 5 HB3 SER 32 HB1 SER 32 6.783 -24.275 36.893 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 33 HA GLU 33 7.317 -30.103 35.718 2 HB2 GLU 33 HB2 GLU 33 4.898 -30.372 35.560 3 HG2 GLU 33 HG2 GLU 33 6.178 -31.903 33.272 4 H GLU 33 HN GLU 33 5.610 -27.957 35.314 5 HB3 GLU 33 HB1 GLU 33 4.902 -29.848 33.879 6 HG3 GLU 33 HG1 GLU 33 6.102 -32.416 34.964 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 34 HA GLU 34 8.664 -29.840 31.215 2 HB2 GLU 34 HB2 GLU 34 6.567 -27.828 30.308 3 HG2 GLU 34 HG2 GLU 34 5.464 -29.880 31.066 4 H GLU 34 HN GLU 34 6.611 -28.363 32.724 5 HB3 GLU 34 HB1 GLU 34 7.626 -28.757 29.243 6 HG3 GLU 34 HG1 GLU 34 5.333 -29.658 29.323 No H/Q in entry = 6 In of MODEL 12 1 HA3 GLY 35 HA2 GLY 35 9.576 -25.076 33.288 2 H GLY 35 HN GLY 35 8.268 -26.929 32.946 3 HA2 GLY 35 HA1 GLY 35 10.809 -25.806 32.276 No H/Q in entry = 3 In of MODEL 12 1 HA VAL 36 HA VAL 36 8.503 -23.151 29.247 2 HB VAL 36 HB VAL 36 7.191 -24.139 27.427 3 H VAL 36 HN VAL 36 7.592 -25.319 31.051 No H/Q in entry = 3 In of MODEL 12 1 HA ILE 37 HA ILE 37 4.374 -21.514 29.963 2 HB ILE 37 HB ILE 37 5.435 -19.771 27.685 3 HD11 ILE 37 HD11 ILE 37 6.832 -17.716 28.405 4 HD13 ILE 37 HD12 ILE 37 7.143 -17.463 30.120 5 HD12 ILE 37 HD13 ILE 37 5.525 -17.200 29.474 6 H ILE 37 HN ILE 37 6.842 -21.811 28.397 No H/Q in entry = 6 In of MODEL 12 1 HA VAL 38 HA VAL 38 2.359 -23.311 26.415 2 HB VAL 38 HB VAL 38 1.241 -24.421 29.012 3 H VAL 38 HN VAL 38 2.539 -22.344 29.204 No H/Q in entry = 3 In of MODEL 12 1 HA PHE 39 HA PHE 39 -1.098 -20.552 26.221 2 HB2 PHE 39 HB2 PHE 39 0.065 -20.851 23.409 3 HD1 PHE 39 HD1 PHE 39 -0.233 -17.782 25.439 4 HD2 PHE 39 HD2 PHE 39 2.446 -20.780 23.989 5 HE1 PHE 39 HE1 PHE 39 1.684 -16.391 26.092 6 HE2 PHE 39 HE2 PHE 39 4.359 -19.390 24.646 7 HZ PHE 39 HZ PHE 39 3.976 -17.184 25.696 8 H PHE 39 HN PHE 39 0.826 -22.524 25.170 9 HB3 PHE 39 HB1 PHE 39 -1.023 -19.579 23.937 No H/Q in entry = 9 In of MODEL 12 1 HA ILE 40 HA ILE 40 -3.813 -23.951 24.934 2 HB ILE 40 HB ILE 40 -5.281 -22.535 27.207 3 HD12 ILE 40 HD11 ILE 40 -5.537 -25.172 28.911 4 HD11 ILE 40 HD12 ILE 40 -5.017 -23.615 29.562 5 HD13 ILE 40 HD13 ILE 40 -3.984 -25.030 29.733 6 H ILE 40 HN ILE 40 -2.881 -21.842 26.662 No H/Q in entry = 6 In of MODEL 12 1 HA LEU 41 HA LEU 41 -6.118 -21.083 22.403 2 HB2 LEU 41 HB2 LEU 41 -5.593 -23.619 20.804 3 HG LEU 41 HG LEU 41 -3.568 -22.264 21.013 4 HD13 LEU 41 HD11 LEU 41 -3.074 -21.748 18.680 5 HD12 LEU 41 HD12 LEU 41 -4.792 -21.779 18.277 6 HD11 LEU 41 HD13 LEU 41 -3.980 -23.257 18.791 7 HD22 LEU 41 HD21 LEU 41 -4.592 -20.173 21.707 8 HD21 LEU 41 HD22 LEU 41 -5.267 -19.928 20.096 9 HD23 LEU 41 HD23 LEU 41 -3.522 -19.907 20.340 10 H LEU 41 HN LEU 41 -4.750 -23.555 23.044 11 HB3 LEU 41 HB1 LEU 41 -6.489 -22.248 20.161 No H/Q in entry = 11 In of MODEL 12 1 HA ALA 42 HA ALA 42 -10.281 -22.260 22.942 2 HB1 ALA 42 HB1 ALA 42 -10.470 -21.046 20.166 3 HB2 ALA 42 HB2 ALA 42 -10.565 -20.170 21.696 4 HB3 ALA 42 HB3 ALA 42 -11.827 -21.326 21.265 5 H ALA 42 HN ALA 42 -8.247 -21.118 21.356 No H/Q in entry = 5 In of MODEL 12 1 HA ASN 43 HA ASN 43 -10.417 -25.765 19.829 2 HB2 ASN 43 HB2 ASN 43 -9.208 -26.355 17.858 3 HD21 ASN 43 HD21 ASN 43 -7.331 -23.417 18.181 4 HD22 ASN 43 HD22 ASN 43 -5.793 -24.166 18.014 5 H ASN 43 HN ASN 43 -8.535 -23.542 20.212 6 HB3 ASN 43 HB1 ASN 43 -9.279 -24.606 17.841 No H/Q in entry = 6 In of MODEL 12 1 HA ASP 44 HA ASP 44 -7.519 -26.371 23.880 2 HB2 ASP 44 HB2 ASP 44 -8.390 -28.848 22.331 3 H ASP 44 HN ASP 44 -8.527 -25.214 22.233 4 HB3 ASP 44 HB1 ASP 44 -7.660 -28.902 23.929 No H/Q in entry = 4 In of MODEL 12 1 HA ARG 45 HA ARG 45 -3.883 -27.527 21.167 2 HB2 ARG 45 HB2 ARG 45 -4.548 -26.504 19.104 3 HG2 ARG 45 HG2 ARG 45 -2.014 -24.984 19.792 4 HD2 ARG 45 HD2 ARG 45 -3.116 -24.513 17.582 5 HE ARG 45 HE ARG 45 -2.776 -27.420 17.198 6 HH11 ARG 45 HH11 ARG 45 -3.894 -24.356 15.875 7 HH12 ARG 45 HH12 ARG 45 -4.680 -25.098 14.525 8 HH21 ARG 45 HH21 ARG 45 -3.786 -28.364 15.417 9 HH22 ARG 45 HH22 ARG 45 -4.601 -27.373 14.249 10 H ARG 45 HN ARG 45 -6.031 -25.552 21.415 11 HB3 ARG 45 HB1 ARG 45 -4.424 -24.886 19.776 12 HG3 ARG 45 HG1 ARG 45 -2.024 -26.705 19.385 13 HD3 ARG 45 HD1 ARG 45 -1.493 -25.181 17.452 No H/Q in entry = 13 In of MODEL 12 1 HA GLU 46 HA GLU 46 -1.593 -25.289 24.270 2 HB2 GLU 46 HB2 GLU 46 -0.546 -28.148 24.161 3 HG2 GLU 46 HG2 GLU 46 -2.386 -26.799 26.162 4 H GLU 46 HN GLU 46 -2.349 -27.575 22.658 5 HB3 GLU 46 HB1 GLU 46 -0.012 -26.936 25.321 6 HG3 GLU 46 HG1 GLU 46 -2.786 -28.149 25.093 No H/Q in entry = 6 In of MODEL 12 1 HA LEU 47 HA LEU 47 1.763 -24.546 21.326 2 HB2 LEU 47 HB2 LEU 47 0.494 -21.924 22.082 3 HG LEU 47 HG LEU 47 -0.329 -23.119 20.019 4 HD12 LEU 47 HD11 LEU 47 -0.221 -21.173 18.508 5 HD11 LEU 47 HD12 LEU 47 1.056 -20.472 19.507 6 HD13 LEU 47 HD13 LEU 47 -0.563 -20.696 20.173 7 HD23 LEU 47 HD21 LEU 47 2.485 -22.616 18.974 8 HD22 LEU 47 HD22 LEU 47 1.126 -23.250 18.035 9 HD21 LEU 47 HD23 LEU 47 1.795 -24.194 19.366 10 H LEU 47 HN LEU 47 -0.488 -23.778 22.983 11 HB3 LEU 47 HB1 LEU 47 2.110 -21.913 21.396 No H/Q in entry = 11 In of MODEL 12 1 HA LYS 48 HA LYS 48 4.298 -24.474 24.921 2 HB2 LYS 48 HB2 LYS 48 3.958 -26.821 24.285 3 HG2 LYS 48 HG2 LYS 48 6.938 -26.387 24.659 4 HD2 LYS 48 HD2 LYS 48 5.139 -28.729 25.377 5 HE2 LYS 48 HE2 LYS 48 8.118 -28.417 25.862 6 HZ2 LYS 48 HZ1 LYS 48 7.526 -30.672 25.421 7 HZ1 LYS 48 HZ2 LYS 48 6.222 -30.601 26.494 8 HZ3 LYS 48 HZ3 LYS 48 7.802 -30.511 27.086 9 H LYS 48 HN LYS 48 3.704 -24.948 22.068 10 HB3 LYS 48 HB1 LYS 48 5.160 -26.682 23.006 11 HG3 LYS 48 HG1 LYS 48 5.750 -26.376 25.964 12 HD3 LYS 48 HD1 LYS 48 6.398 -28.720 24.137 13 HE3 LYS 48 HE1 LYS 48 6.879 -28.329 27.118 No H/Q in entry = 13 In of MODEL 12 1 HA PHE 49 HA PHE 49 8.178 -22.694 23.641 2 HB2 PHE 49 HB2 PHE 49 6.241 -20.350 23.958 3 HD1 PHE 49 HD1 PHE 49 8.576 -20.808 21.164 4 HD2 PHE 49 HD2 PHE 49 4.526 -21.321 22.450 5 HE1 PHE 49 HE1 PHE 49 7.863 -21.111 18.826 6 HE2 PHE 49 HE2 PHE 49 3.828 -21.630 20.108 7 HZ PHE 49 HZ PHE 49 5.494 -21.523 18.297 8 H PHE 49 HN PHE 49 5.631 -22.793 25.123 9 HB3 PHE 49 HB1 PHE 49 7.908 -20.182 23.428 No H/Q in entry = 9 In of MODEL 12 1 HA ARG 50 HA ARG 50 9.493 -22.050 27.835 2 HB2 ARG 50 HB2 ARG 50 11.965 -21.398 26.181 3 HG2 ARG 50 HG2 ARG 50 11.443 -24.037 27.565 4 HD2 ARG 50 HD2 ARG 50 13.258 -24.847 26.148 5 HE ARG 50 HE ARG 50 14.058 -23.767 28.176 6 HH11 ARG 50 HH11 ARG 50 14.519 -21.836 25.261 7 HH12 ARG 50 HH12 ARG 50 15.922 -21.038 25.891 8 HH21 ARG 50 HH21 ARG 50 15.871 -22.683 28.992 9 HH22 ARG 50 HH22 ARG 50 16.695 -21.520 28.008 10 H ARG 50 HN ARG 50 9.869 -22.116 24.993 11 HB3 ARG 50 HB1 ARG 50 11.958 -21.731 27.911 12 HG3 ARG 50 HG1 ARG 50 11.034 -23.769 25.867 13 HD3 ARG 50 HD1 ARG 50 13.369 -23.286 25.328 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 51 HA PRO 51 9.425 -17.562 28.744 2 HB2 PRO 51 HB2 PRO 51 11.700 -18.154 30.639 3 HG2 PRO 51 HG2 PRO 51 10.471 -19.737 31.854 4 HD2 PRO 51 HD2 PRO 51 11.030 -20.961 29.934 5 HB3 PRO 51 HB1 PRO 51 10.203 -17.251 30.926 6 HG3 PRO 51 HG1 PRO 51 8.923 -19.198 31.171 7 HD3 PRO 51 HD1 PRO 51 9.257 -21.072 29.829 No H/Q in entry = 7 In of MODEL 12 1 HA ASP 52 HA ASP 52 14.030 -16.746 27.687 2 HB2 ASP 52 HB2 ASP 52 14.902 -19.643 27.353 3 H ASP 52 HN ASP 52 12.604 -19.135 28.407 4 HB3 ASP 52 HB1 ASP 52 15.951 -18.222 27.397 No H/Q in entry = 4 In of MODEL 12 1 HA ASP 53 HA ASP 53 13.196 -18.249 23.299 2 HB2 ASP 53 HB2 ASP 53 10.509 -19.465 24.048 3 H ASP 53 HN ASP 53 11.915 -18.637 25.900 4 HB3 ASP 53 HB1 ASP 53 11.127 -19.378 22.410 No H/Q in entry = 4 In of MODEL 12 1 HA LEU 54 HA LEU 54 9.394 -15.480 23.063 2 HB2 LEU 54 HB2 LEU 54 8.593 -15.738 25.978 3 HG LEU 54 HG LEU 54 8.510 -17.930 24.759 4 HD13 LEU 54 HD11 LEU 54 6.208 -18.493 25.352 5 HD12 LEU 54 HD12 LEU 54 5.795 -16.780 25.464 6 HD11 LEU 54 HD13 LEU 54 6.958 -17.487 26.590 7 HD22 LEU 54 HD21 LEU 54 8.171 -17.138 22.481 8 HD21 LEU 54 HD22 LEU 54 6.587 -16.482 22.902 9 HD23 LEU 54 HD23 LEU 54 6.855 -18.224 22.927 10 H LEU 54 HN LEU 54 10.692 -16.857 25.307 11 HB3 LEU 54 HB1 LEU 54 7.603 -15.022 24.707 No H/Q in entry = 11 In of MODEL 12 1 HA GLN 55 HA GLN 55 11.156 -11.580 23.781 2 HB2 GLN 55 HB2 GLN 55 9.952 -11.281 21.661 3 HG2 GLN 55 HG2 GLN 55 9.333 -8.851 23.352 4 HE21 GLN 55 HE21 GLN 55 10.982 -7.323 21.491 5 HE22 GLN 55 HE22 GLN 55 10.028 -7.119 20.065 6 H GLN 55 HN GLN 55 9.133 -13.320 22.898 7 HB3 GLN 55 HB1 GLN 55 8.453 -10.945 22.520 8 HG3 GLN 55 HG1 GLN 55 10.939 -9.221 22.722 No H/Q in entry = 8 In of MODEL 12 1 HA ALA 56 HA ALA 56 7.723 -9.906 26.778 2 HB2 ALA 56 HB1 ALA 56 5.713 -11.185 26.115 3 HB3 ALA 56 HB2 ALA 56 5.851 -11.136 27.874 4 HB1 ALA 56 HB3 ALA 56 6.297 -12.600 26.986 5 H ALA 56 HN ALA 56 7.887 -12.143 25.028 No H/Q in entry = 5 In of MODEL 12 1 HA THR 57 HA THR 57 9.228 -12.802 30.081 2 HB THR 57 HB THR 57 8.899 -15.282 30.164 3 HG1 THR 57 HG1 THR 57 9.613 -15.413 27.784 4 HG21 THR 57 HG21 THR 57 6.783 -13.732 28.636 5 HG23 THR 57 HG22 THR 57 6.980 -13.760 30.386 6 HG22 THR 57 HG23 THR 57 6.509 -15.226 29.534 7 H THR 57 HN THR 57 9.048 -13.155 27.145 No H/Q in entry = 7 In of MODEL 12 1 HA TYR 58 HA TYR 58 13.366 -14.378 28.325 2 HB2 TYR 58 HB2 TYR 58 13.015 -13.177 26.094 3 HD1 TYR 58 HD1 TYR 58 14.608 -15.224 26.230 4 HD2 TYR 58 HD2 TYR 58 15.925 -11.209 26.787 5 HE1 TYR 58 HE1 TYR 58 16.881 -15.893 25.656 6 HE2 TYR 58 HE2 TYR 58 18.225 -11.889 26.208 7 HH TYR 58 HH TYR 58 19.579 -14.015 26.267 8 H TYR 58 HN TYR 58 11.246 -12.596 27.627 9 HB3 TYR 58 HB1 TYR 58 13.572 -11.704 26.878 No H/Q in entry = 9 In of MODEL 12 1 HA3 GLY 59 HA2 GLY 59 15.106 -13.407 32.269 2 H GLY 59 HN GLY 59 13.848 -14.279 30.472 3 HA2 GLY 59 HA1 GLY 59 14.987 -11.794 31.584 No H/Q in entry = 3 In of MODEL 12 1 HA ALA 60 HA ALA 60 11.246 -12.296 34.288 2 HB3 ALA 60 HB1 ALA 60 8.952 -12.861 33.599 3 HB1 ALA 60 HB2 ALA 60 9.571 -13.805 32.236 4 HB2 ALA 60 HB3 ALA 60 9.821 -12.058 32.289 5 H ALA 60 HN ALA 60 12.212 -13.950 32.005 No H/Q in entry = 5 In of MODEL 12 1 HA THR 61 HA THR 61 11.096 -16.099 36.538 2 HB THR 61 HB THR 61 10.388 -15.584 38.911 3 HG1 THR 61 HG1 THR 61 10.178 -12.871 38.114 4 HG22 THR 61 HG21 THR 61 12.342 -13.562 37.741 5 HG21 THR 61 HG22 THR 61 12.750 -15.211 38.229 6 HG23 THR 61 HG23 THR 61 12.228 -14.038 39.439 7 H THR 61 HN THR 61 10.362 -13.321 36.054 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 62 HA PRO 62 7.089 -18.009 35.960 2 HB2 PRO 62 HB2 PRO 62 6.845 -19.515 38.332 3 HG2 PRO 62 HG2 PRO 62 8.797 -18.745 39.362 4 HD2 PRO 62 HD2 PRO 62 10.505 -17.671 38.161 5 HB3 PRO 62 HB1 PRO 62 7.693 -20.024 36.871 6 HG3 PRO 62 HG1 PRO 62 9.453 -20.099 38.414 7 HD3 PRO 62 HD1 PRO 62 10.257 -18.673 36.711 No H/Q in entry = 7 In of MODEL 12 1 HA GLU 63 HA GLU 63 5.083 -16.031 40.025 2 HB2 GLU 63 HB2 GLU 63 7.037 -13.693 39.963 3 HG2 GLU 63 HG2 GLU 63 8.430 -15.560 40.570 4 H GLU 63 HN GLU 63 7.658 -16.177 38.899 5 HB3 GLU 63 HB1 GLU 63 5.858 -14.089 41.218 6 HG3 GLU 63 HG1 GLU 63 8.112 -14.552 41.979 No H/Q in entry = 6 In of MODEL 12 1 HA GLN 64 HA GLN 64 4.572 -12.161 37.132 2 HB2 GLN 64 HB2 GLN 64 7.052 -12.878 35.507 3 HG2 GLN 64 HG2 GLN 64 6.727 -10.561 37.436 4 HE21 GLN 64 HE21 GLN 64 7.729 -9.114 35.962 5 HE22 GLN 64 HE22 GLN 64 9.401 -9.250 35.555 6 H GLN 64 HN GLN 64 6.698 -13.993 37.665 7 HB3 GLN 64 HB1 GLN 64 6.060 -11.436 35.276 8 HG3 GLN 64 HG1 GLN 64 7.548 -12.068 37.843 No H/Q in entry = 8 In of MODEL 12 1 HA LEU 65 HA LEU 65 3.462 -15.251 33.691 2 HB2 LEU 65 HB2 LEU 65 5.137 -17.600 34.759 3 HG LEU 65 HG LEU 65 6.772 -15.816 34.475 4 HD13 LEU 65 HD11 LEU 65 8.217 -16.803 32.759 5 HD12 LEU 65 HD12 LEU 65 6.853 -17.730 32.129 6 HD11 LEU 65 HD13 LEU 65 7.451 -18.035 33.761 7 HD22 LEU 65 HD21 LEU 65 5.503 -14.272 33.092 8 HD21 LEU 65 HD22 LEU 65 5.591 -15.371 31.712 9 HD23 LEU 65 HD23 LEU 65 7.060 -14.614 32.340 10 H LEU 65 HN LEU 65 5.047 -15.381 36.234 11 HB3 LEU 65 HB1 LEU 65 4.521 -17.356 33.127 No H/Q in entry = 11 In of MODEL 12 1 HA ARG 66 HA ARG 66 0.772 -17.573 36.672 2 HB2 ARG 66 HB2 ARG 66 1.565 -15.819 39.051 3 HG2 ARG 66 HG2 ARG 66 3.402 -17.331 38.563 4 HD2 ARG 66 HD2 ARG 66 1.400 -19.597 38.791 5 HE ARG 66 HE ARG 66 4.092 -19.706 39.297 6 HH11 ARG 66 HH11 ARG 66 2.022 -21.236 36.882 7 HH12 ARG 66 HH12 ARG 66 3.000 -22.664 36.792 8 HH21 ARG 66 HH21 ARG 66 5.354 -21.581 39.141 9 HH22 ARG 66 HH22 ARG 66 4.877 -22.858 38.070 10 H ARG 66 HN ARG 66 2.783 -15.399 36.824 11 HB3 ARG 66 HB1 ARG 66 0.424 -17.164 39.096 12 HG3 ARG 66 HG1 ARG 66 2.577 -17.826 40.032 13 HD3 ARG 66 HD1 ARG 66 2.169 -19.076 37.287 No H/Q in entry = 13 In of MODEL 12 1 HA GLU 67 HA GLU 67 -1.614 -13.553 36.749 2 HB2 GLU 67 HB2 GLU 67 -0.786 -11.097 37.163 3 HG2 GLU 67 HG2 GLU 67 1.567 -12.634 38.303 4 H GLU 67 HN GLU 67 1.220 -14.112 37.180 5 HB3 GLU 67 HB1 GLU 67 -0.910 -12.211 38.514 6 HG3 GLU 67 HG1 GLU 67 1.626 -11.351 37.096 No H/Q in entry = 6 In of MODEL 12 1 HA ILE 68 HA ILE 68 -0.618 -12.592 32.537 2 HB ILE 68 HB ILE 68 -1.483 -15.507 32.826 3 HD12 ILE 68 HD11 ILE 68 2.104 -16.539 32.288 4 HD11 ILE 68 HD12 ILE 68 0.805 -16.662 31.105 5 HD13 ILE 68 HD13 ILE 68 0.529 -17.157 32.782 6 H ILE 68 HN ILE 68 -2.024 -13.949 34.758 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 69 HA GLU 69 -4.891 -12.373 31.079 2 HB2 GLU 69 HB2 GLU 69 -4.391 -10.093 32.011 3 HG2 GLU 69 HG2 GLU 69 -5.764 -9.868 29.319 4 H GLU 69 HN GLU 69 -1.994 -11.722 30.981 5 HB3 GLU 69 HB1 GLU 69 -3.616 -9.649 30.496 6 HG3 GLU 69 HG1 GLU 69 -6.542 -10.392 30.813 No H/Q in entry = 6 In of MODEL 12 1 HA ILE 70 HA ILE 70 -4.293 -13.144 26.725 2 HB ILE 70 HB ILE 70 -7.253 -12.378 26.761 3 HD13 ILE 70 HD11 ILE 70 -5.965 -16.396 27.514 4 HD12 ILE 70 HD12 ILE 70 -4.736 -15.136 27.424 5 HD11 ILE 70 HD13 ILE 70 -5.532 -15.700 25.952 6 H ILE 70 HN ILE 70 -5.944 -12.316 28.933 No H/Q in entry = 6 In of MODEL 12 1 HA SER 71 HA SER 71 -3.173 -9.388 24.783 2 HB2 SER 71 HB2 SER 71 -3.160 -9.453 22.275 3 HG SER 71 HG SER 71 -4.511 -11.929 22.613 4 H SER 71 HN SER 71 -4.091 -12.012 24.641 5 HB3 SER 71 HB1 SER 71 -2.490 -10.919 22.994 No H/Q in entry = 5 In of MODEL 12 1 HA PRO 72 HA PRO 72 -6.867 -6.779 24.413 2 HB2 PRO 72 HB2 PRO 72 -5.875 -4.627 23.010 3 HG2 PRO 72 HG2 PRO 72 -3.865 -5.646 22.292 4 HD2 PRO 72 HD2 PRO 72 -2.903 -7.441 23.465 5 HB3 PRO 72 HB1 PRO 72 -5.509 -4.919 24.720 6 HG3 PRO 72 HG1 PRO 72 -3.347 -4.817 23.779 7 HD3 PRO 72 HD1 PRO 72 -3.391 -6.800 25.052 No H/Q in entry = 7 In of MODEL 12 1 HA SER 73 HA SER 73 -7.265 -7.288 19.687 2 HB2 SER 73 HB2 SER 73 -4.555 -8.611 19.247 3 HG SER 73 HG SER 73 -3.958 -6.595 19.299 4 H SER 73 HN SER 73 -5.026 -7.640 21.508 5 HB3 SER 73 HB1 SER 73 -5.732 -8.239 17.981 No H/Q in entry = 5 In of MODEL 12 1 HA3 GLY 74 HA2 GLY 74 -7.527 -11.566 22.565 2 H GLY 74 HN GLY 74 -6.447 -9.637 21.960 3 HA2 GLY 74 HA1 GLY 74 -8.628 -11.343 21.222 No H/Q in entry = 3 In of MODEL 12 1 HA LEU 75 HA LEU 75 -5.735 -13.875 18.718 2 HB2 LEU 75 HB2 LEU 75 -3.589 -11.715 18.719 3 HG LEU 75 HG LEU 75 -5.649 -11.184 17.353 4 HD13 LEU 75 HD11 LEU 75 -3.488 -10.200 16.761 5 HD12 LEU 75 HD12 LEU 75 -4.426 -10.551 15.311 6 HD11 LEU 75 HD13 LEU 75 -3.088 -11.609 15.774 7 HD21 LEU 75 HD21 LEU 75 -6.258 -13.482 16.730 8 HD23 LEU 75 HD22 LEU 75 -4.794 -13.624 15.752 9 HD22 LEU 75 HD23 LEU 75 -6.056 -12.476 15.296 10 H LEU 75 HN LEU 75 -5.621 -11.278 19.889 11 HB3 LEU 75 HB1 LEU 75 -3.427 -13.218 17.819 No H/Q in entry = 11 In of MODEL 12 1 HA3 GLY 76 HA2 GLY 76 -2.263 -15.096 21.527 2 H GLY 76 HN GLY 76 -3.036 -12.415 20.544 3 HA2 GLY 76 HA1 GLY 76 -1.201 -13.703 21.349 No H/Q in entry = 3 In of MODEL 12 1 HA VAL 77 HA VAL 77 -2.469 -12.994 25.515 2 HB VAL 77 HB VAL 77 -0.695 -14.992 25.459 3 H VAL 77 HN VAL 77 -0.540 -13.101 23.279 No H/Q in entry = 3 In of MODEL 12 1 HA TYR 78 HA TYR 78 0.211 -9.528 26.563 2 HB2 TYR 78 HB2 TYR 78 -1.968 -8.471 25.848 3 HD1 TYR 78 HD1 TYR 78 -2.232 -7.070 29.157 4 HD2 TYR 78 HD2 TYR 78 0.146 -6.990 25.606 5 HE1 TYR 78 HE1 TYR 78 -1.273 -4.920 29.852 6 HE2 TYR 78 HE2 TYR 78 1.106 -4.835 26.296 7 HH TYR 78 HH TYR 78 0.683 -3.548 29.459 8 H TYR 78 HN TYR 78 -2.033 -11.373 27.051 9 HB3 TYR 78 HB1 TYR 78 -2.601 -8.725 27.471 No H/Q in entry = 9 In of MODEL 12 1 HA PHE 79 HA PHE 79 0.644 -10.785 30.849 2 HB2 PHE 79 HB2 PHE 79 3.500 -10.403 29.841 3 HD1 PHE 79 HD1 PHE 79 0.730 -12.747 30.098 4 HD2 PHE 79 HD2 PHE 79 4.768 -12.401 29.447 5 HE1 PHE 79 HE1 PHE 79 0.784 -15.003 29.148 6 HE2 PHE 79 HE2 PHE 79 4.825 -14.661 28.512 7 HZ PHE 79 HZ PHE 79 2.832 -15.980 28.369 8 H PHE 79 HN PHE 79 1.536 -10.320 28.141 9 HB3 PHE 79 HB1 PHE 79 3.028 -11.033 31.418 No H/Q in entry = 9 In of MODEL 12 1 HA GLU 80 HA GLU 80 0.279 -6.371 31.174 2 HB2 GLU 80 HB2 GLU 80 -1.909 -7.236 31.985 3 HG2 GLU 80 HG2 GLU 80 -0.700 -5.171 33.838 4 H GLU 80 HN GLU 80 -0.232 -9.102 31.725 5 HB3 GLU 80 HB1 GLU 80 -1.182 -7.623 33.542 6 HG3 GLU 80 HG1 GLU 80 -1.607 -4.866 32.357 No H/Q in entry = 6 In of MODEL 12 1 HA THR 81 HA THR 81 2.668 -6.904 35.485 2 HB THR 81 HB THR 81 3.511 -9.695 34.598 3 HG1 THR 81 HG1 THR 81 1.724 -9.185 36.716 4 HG22 THR 81 HG21 THR 81 4.248 -9.977 36.941 5 HG21 THR 81 HG22 THR 81 3.814 -8.304 37.294 6 HG23 THR 81 HG23 THR 81 5.125 -8.658 36.164 7 H THR 81 HN THR 81 1.348 -8.564 33.686 No H/Q in entry = 7 In of MODEL 12 1 HA LEU 82 HA LEU 82 6.428 -7.122 32.589 2 HB2 LEU 82 HB2 LEU 82 5.277 -8.745 30.289 3 HG LEU 82 HG LEU 82 4.997 -10.266 32.143 4 HD13 LEU 82 HD11 LEU 82 6.512 -12.071 31.564 5 HD12 LEU 82 HD12 LEU 82 7.598 -10.944 30.747 6 HD11 LEU 82 HD13 LEU 82 5.972 -11.222 30.115 7 HD21 LEU 82 HD21 LEU 82 7.823 -9.597 33.000 8 HD23 LEU 82 HD22 LEU 82 6.793 -10.859 33.689 9 HD22 LEU 82 HD23 LEU 82 6.328 -9.171 33.837 10 H LEU 82 HN LEU 82 3.737 -8.286 32.421 11 HB3 LEU 82 HB1 LEU 82 6.970 -8.472 30.678 No H/Q in entry = 11 In of MODEL 12 1 HA GLU 83 HA GLU 83 2.386 -4.839 30.097 2 HB2 GLU 83 HB2 GLU 83 5.067 -3.382 30.248 3 HG2 GLU 83 HG2 GLU 83 2.493 -2.936 31.788 4 H GLU 83 HN GLU 83 3.380 -6.251 31.544 5 HB3 GLU 83 HB1 GLU 83 3.586 -2.698 29.570 6 HG3 GLU 83 HG1 GLU 83 4.006 -3.549 32.455 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 84 HA GLU 84 4.416 -6.224 26.283 2 HB2 GLU 84 HB2 GLU 84 6.443 -6.950 27.705 3 HG2 GLU 84 HG2 GLU 84 7.570 -8.184 25.940 4 H GLU 84 HN GLU 84 3.723 -7.174 28.997 5 HB3 GLU 84 HB1 GLU 84 5.809 -8.582 27.614 6 HG3 GLU 84 HG1 GLU 84 6.028 -8.601 25.196 No H/Q in entry = 6 In of MODEL 12 1 HA ASP 85 HA ASP 85 1.725 -9.501 25.082 2 HB2 ASP 85 HB2 ASP 85 1.331 -7.262 23.904 3 H ASP 85 HN ASP 85 4.026 -7.690 24.602 4 HB3 ASP 85 HB1 ASP 85 2.375 -7.811 22.608 No H/Q in entry = 4 In of MODEL 12 1 HA VAL 86 HA VAL 86 4.107 -12.244 22.426 2 HB VAL 86 HB VAL 86 2.616 -14.279 24.188 3 H VAL 86 HN VAL 86 1.993 -11.588 24.405 No H/Q in entry = 3 In of MODEL 12 1 HA SER 87 HA SER 87 0.325 -12.099 20.012 2 HB2 SER 87 HB2 SER 87 2.638 -11.767 18.056 3 HG SER 87 HG SER 87 1.685 -10.086 19.882 4 H SER 87 HN SER 87 3.057 -11.731 20.577 5 HB3 SER 87 HB1 SER 87 0.928 -11.505 17.695 No H/Q in entry = 5 In of MODEL 12 1 HA LEU 88 HA LEU 88 0.159 -16.402 19.334 2 HB2 LEU 88 HB2 LEU 88 -2.260 -15.546 19.591 3 HG LEU 88 HG LEU 88 -1.759 -18.033 17.929 4 HD12 LEU 88 HD11 LEU 88 -2.271 -17.660 20.900 5 HD11 LEU 88 HD12 LEU 88 -0.715 -18.042 20.149 6 HD13 LEU 88 HD13 LEU 88 -2.038 -19.199 20.066 7 HD23 LEU 88 HD21 LEU 88 -4.340 -17.187 19.300 8 HD22 LEU 88 HD22 LEU 88 -4.040 -18.739 18.513 9 HD21 LEU 88 HD23 LEU 88 -4.068 -17.263 17.555 10 H LEU 88 HN LEU 88 -0.808 -13.769 19.261 11 HB3 LEU 88 HB1 LEU 88 -2.342 -15.552 17.842 No H/Q in entry = 11 In of MODEL 12 1 HA ILE 89 HA ILE 89 -0.342 -16.005 14.484 2 HB ILE 89 HB ILE 89 0.367 -13.031 14.551 3 HD12 ILE 89 HD11 ILE 89 -2.477 -15.562 14.454 4 HD11 ILE 89 HD12 ILE 89 -2.504 -14.882 12.823 5 HD13 ILE 89 HD13 ILE 89 -3.678 -14.346 14.023 6 H ILE 89 HN ILE 89 -0.598 -14.266 16.637 No H/Q in entry = 6 In of MODEL 12 1 HA3 GLY 90 HA2 GLY 90 4.392 -14.673 14.652 2 H GLY 90 HN GLY 90 2.108 -13.971 16.083 3 HA2 GLY 90 HA1 GLY 90 4.366 -14.208 16.349 No H/Q in entry = 3 In of MODEL 12 1 HA LEU 91 HA LEU 91 4.900 -18.300 17.872 2 HB2 LEU 91 HB2 LEU 91 1.937 -18.337 18.558 3 HG LEU 91 HG LEU 91 3.074 -16.509 19.761 4 HD12 LEU 91 HD11 LEU 91 2.409 -18.865 21.556 5 HD11 LEU 91 HD12 LEU 91 1.267 -17.695 20.886 6 HD13 LEU 91 HD13 LEU 91 2.481 -17.170 22.051 7 HD21 LEU 91 HD21 LEU 91 4.984 -18.655 20.760 8 HD23 LEU 91 HD22 LEU 91 4.904 -16.998 21.364 9 HD22 LEU 91 HD23 LEU 91 5.374 -17.298 19.697 10 H LEU 91 HN LEU 91 2.926 -16.304 17.488 11 HB3 LEU 91 HB1 LEU 91 3.112 -19.498 19.169 No H/Q in entry = 11 In of MODEL 12 1 HA LEU 92 HA LEU 92 2.074 -20.857 14.917 2 HB2 LEU 92 HB2 LEU 92 0.753 -18.375 13.747 3 HG LEU 92 HG LEU 92 -0.098 -18.960 16.049 4 HD11 LEU 92 HD11 LEU 92 -1.528 -17.780 14.482 5 HD13 LEU 92 HD12 LEU 92 -2.482 -18.890 15.463 6 HD12 LEU 92 HD13 LEU 92 -2.093 -19.304 13.788 7 HD21 LEU 92 HD21 LEU 92 0.262 -21.381 15.996 8 HD23 LEU 92 HD22 LEU 92 -0.973 -21.565 14.747 9 HD22 LEU 92 HD23 LEU 92 -1.423 -21.012 16.363 10 H LEU 92 HN LEU 92 2.078 -18.121 15.794 11 HB3 LEU 92 HB1 LEU 92 0.411 -20.025 13.239 No H/Q in entry = 11 In of MODEL 12 1 HA GLU 93 HA GLU 93 4.485 -18.840 11.263 2 HB2 GLU 93 HB2 GLU 93 5.391 -16.335 12.770 3 HG2 GLU 93 HG2 GLU 93 3.056 -15.985 12.328 4 H GLU 93 HN GLU 93 3.494 -17.818 13.776 5 HB3 GLU 93 HB1 GLU 93 5.718 -16.709 11.079 6 HG3 GLU 93 HG1 GLU 93 4.005 -15.029 11.200 No H/Q in entry = 6 In of MODEL 12 1 HA3 GLY 94 HA2 GLY 94 7.283 -20.425 15.341 2 H GLY 94 HN GLY 94 5.456 -19.248 14.482 3 HA2 GLY 94 HA1 GLY 94 8.105 -20.302 13.793 No H/Q in entry = 3 In of MODEL 12 1 HA ARG 95 HA ARG 95 9.487 -16.169 15.159 2 HB2 ARG 95 HB2 ARG 95 7.907 -15.315 13.390 3 HG2 ARG 95 HG2 ARG 95 8.244 -13.225 15.548 4 HD2 ARG 95 HD2 ARG 95 6.817 -12.497 13.691 5 HE ARG 95 HE ARG 95 8.703 -13.877 12.040 6 HH11 ARG 95 HH11 ARG 95 6.558 -11.104 11.984 7 HH12 ARG 95 HH12 ARG 95 6.311 -11.178 10.272 8 HH21 ARG 95 HH21 ARG 95 8.382 -13.972 9.809 9 HH22 ARG 95 HH22 ARG 95 7.363 -12.808 9.025 10 H ARG 95 HN ARG 95 6.939 -17.344 14.479 11 HB3 ARG 95 HB1 ARG 95 6.747 -14.918 14.652 12 HG3 ARG 95 HG1 ARG 95 9.514 -13.700 14.413 13 HD3 ARG 95 HD1 ARG 95 8.380 -11.670 13.633 No H/Q in entry = 13 In of MODEL 12 1 HA ARG 96 HA ARG 96 8.017 -16.870 19.395 2 HB2 ARG 96 HB2 ARG 96 11.060 -16.754 19.518 3 HG2 ARG 96 HG2 ARG 96 9.257 -19.201 19.519 4 HD2 ARG 96 HD2 ARG 96 12.279 -18.985 19.455 5 HE ARG 96 HE ARG 96 10.827 -21.079 18.504 6 HH11 ARG 96 HH11 ARG 96 12.971 -20.780 21.276 7 HH12 ARG 96 HH12 ARG 96 13.390 -22.456 21.270 8 HH21 ARG 96 HH21 ARG 96 11.437 -23.264 18.518 9 HH22 ARG 96 HH22 ARG 96 12.553 -23.839 19.716 10 H ARG 96 HN ARG 96 9.913 -16.707 17.281 11 HB3 ARG 96 HB1 ARG 96 10.001 -17.269 20.833 12 HG3 ARG 96 HG1 ARG 96 10.224 -18.669 18.140 13 HD3 ARG 96 HD1 ARG 96 11.325 -19.484 20.851 No H/Q in entry = 13 In of MODEL 12 1 HA3 GLY 97 HA2 GLY 97 8.617 -12.335 19.777 2 H GLY 97 HN GLY 97 10.130 -14.352 18.282 3 HA2 GLY 97 HA1 GLY 97 10.371 -12.355 20.004 No H/Q in entry = 3 In of MODEL 12 1 HA SER 98 HA SER 98 9.293 -9.708 16.267 2 HB2 SER 98 HB2 SER 98 9.378 -7.826 17.853 3 HG SER 98 HG SER 98 10.256 -6.414 16.506 4 H SER 98 HN SER 98 9.728 -10.076 18.988 5 HB3 SER 98 HB1 SER 98 11.093 -8.096 18.141 No H/Q in entry = 5 In of MODEL 12 1 HA ALA 99 HA ALA 99 12.754 -11.628 14.287 2 HB1 ALA 99 HB1 ALA 99 11.374 -11.086 12.317 3 HB2 ALA 99 HB2 ALA 99 13.088 -10.857 11.963 4 HB3 ALA 99 HB3 ALA 99 12.056 -9.456 12.275 5 H ALA 99 HN ALA 99 10.602 -9.817 14.396 No H/Q in entry = 5 In of MODEL 12 1 HA LYS 100 HA LYS 100 15.446 -7.484 14.344 2 HB2 LYS 100 HB2 LYS 100 13.663 -5.787 14.197 3 HG2 LYS 100 HG2 LYS 100 15.445 -5.359 16.612 4 HD2 LYS 100 HD2 LYS 100 13.972 -3.252 14.997 5 HE2 LYS 100 HE2 LYS 100 14.735 -1.722 16.778 6 HZ3 LYS 100 HZ1 LYS 100 17.024 -3.188 15.596 7 HZ2 LYS 100 HZ2 LYS 100 17.026 -1.593 16.155 8 HZ1 LYS 100 HZ3 LYS 100 16.119 -2.009 14.789 9 H LYS 100 HN LYS 100 12.721 -8.094 14.357 10 HB3 LYS 100 HB1 LYS 100 13.176 -6.135 15.853 11 HG3 LYS 100 HG1 LYS 100 15.786 -4.881 14.944 12 HD3 LYS 100 HD1 LYS 100 13.467 -3.806 16.598 13 HE3 LYS 100 HE1 LYS 100 15.632 -3.043 17.525 No H/Q in entry = 13 In of MODEL 12 1 HA TRP 101 HA TRP 101 15.142 -7.850 19.220 2 HB2 TRP 101 HB2 TRP 101 12.726 -7.875 19.651 3 HD1 TRP 101 HD1 TRP 101 13.927 -7.484 22.075 4 HE1 TRP 101 HE1 TRP 101 14.235 -9.059 24.078 5 HE3 TRP 101 HE3 TRP 101 12.842 -11.922 19.799 6 HZ2 TRP 101 HZ2 TRP 101 14.047 -11.811 24.615 7 HZ3 TRP 101 HZ3 TRP 101 12.917 -13.992 21.127 8 HH2 TRP 101 HH2 TRP 101 13.506 -13.935 23.500 9 H TRP 101 HN TRP 101 13.297 -8.105 17.133 10 HB3 TRP 101 HB1 TRP 101 12.598 -9.536 19.088 No H/Q in entry = 10 In of MODEL 12 1 HA MET 102 HA MET 102 15.735 -12.616 18.928 2 HB2 MET 102 HB2 MET 102 14.549 -12.915 16.138 3 HG2 MET 102 HG2 MET 102 13.516 -13.862 18.818 4 HE2 MET 102 HE1 MET 102 13.133 -14.126 14.835 5 HE1 MET 102 HE2 MET 102 11.684 -13.277 15.379 6 HE3 MET 102 HE3 MET 102 11.561 -14.923 14.755 7 H MET 102 HN MET 102 14.235 -10.758 17.366 8 HB3 MET 102 HB1 MET 102 15.258 -14.235 17.060 9 HG3 MET 102 HG1 MET 102 12.765 -12.666 17.766 No H/Q in entry = 9 In of MODEL 12 1 HA ALA 103 HA ALA 103 18.925 -11.816 15.442 2 HB2 ALA 103 HB1 ALA 103 19.280 -9.774 14.095 3 HB1 ALA 103 HB2 ALA 103 17.953 -8.978 14.946 4 HB3 ALA 103 HB3 ALA 103 17.629 -10.374 13.920 5 H ALA 103 HN ALA 103 16.523 -10.466 16.317 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 104 HA GLU 104 20.806 -8.529 18.344 2 HB2 GLU 104 HB2 GLU 104 18.245 -7.602 19.723 3 HG2 GLU 104 HG2 GLU 104 19.616 -6.374 17.321 4 H GLU 104 HN GLU 104 18.046 -9.322 17.754 5 HB3 GLU 104 HB1 GLU 104 19.828 -6.821 19.770 6 HG3 GLU 104 HG1 GLU 104 18.016 -7.081 17.359 No H/Q in entry = 6 In of MODEL 12 1 HA HIS 105 HA HIS 105 19.883 -11.157 22.084 2 HB2 HIS 105 HB2 HIS 105 16.846 -11.357 21.760 3 HD1 HIS 105 HD1 HIS 105 17.988 -9.925 24.891 4 HD2 HIS 105 HD2 HIS 105 17.000 -8.464 21.126 5 HE1 HIS 105 HE1 HIS 105 17.544 -7.476 25.199 6 HE2 HIS 105 HE2 HIS 105 17.140 -6.582 22.890 7 H HIS 105 HN HIS 105 18.286 -10.533 19.665 8 HB3 HIS 105 HB1 HIS 105 17.753 -11.759 23.214 No H/Q in entry = 8 In of MODEL 12 1 HA PRO 106 HA PRO 106 20.036 -14.846 19.266 2 HB2 PRO 106 HB2 PRO 106 22.256 -15.970 20.587 3 HG2 PRO 106 HG2 PRO 106 22.606 -14.254 22.124 4 HD2 PRO 106 HD2 PRO 106 21.605 -12.138 21.885 5 HB3 PRO 106 HB1 PRO 106 22.330 -14.884 19.197 6 HG3 PRO 106 HG1 PRO 106 23.544 -13.621 20.756 7 HD3 PRO 106 HD1 PRO 106 21.851 -12.112 20.126 No H/Q in entry = 7 In of MODEL 12 1 HA LEU 107 HA LEU 107 17.816 -17.357 22.027 2 HB2 LEU 107 HB2 LEU 107 16.767 -17.517 19.744 3 HG LEU 107 HG LEU 107 16.661 -20.210 21.161 4 HD13 LEU 107 HD11 LEU 107 16.121 -18.424 22.746 5 HD12 LEU 107 HD12 LEU 107 14.677 -19.349 22.337 6 HD11 LEU 107 HD13 LEU 107 14.935 -17.756 21.620 7 HD22 LEU 107 HD21 LEU 107 15.732 -20.345 18.924 8 HD21 LEU 107 HD22 LEU 107 14.749 -18.904 19.200 9 HD23 LEU 107 HD23 LEU 107 14.417 -20.382 20.102 10 H LEU 107 HN LEU 107 19.274 -16.852 19.552 11 HB3 LEU 107 HB1 LEU 107 17.791 -18.899 19.400 No H/Q in entry = 11 In of MODEL 12 1 HA ALA 108 HA ALA 108 20.527 -20.359 23.746 2 HB1 ALA 108 HB1 ALA 108 19.355 -21.873 25.313 3 HB3 ALA 108 HB2 ALA 108 17.803 -21.385 24.625 4 HB2 ALA 108 HB3 ALA 108 18.793 -20.208 25.490 5 H ALA 108 HN ALA 108 17.991 -19.222 23.300 No H/Q in entry = 5 In of MODEL 12 1 HA SER 109 HA SER 109 18.790 -24.035 21.143 2 HB2 SER 109 HB2 SER 109 16.542 -22.363 19.931 3 HG SER 109 HG SER 109 16.710 -24.000 22.171 4 H SER 109 HN SER 109 17.733 -21.493 21.945 5 HB3 SER 109 HB1 SER 109 16.834 -24.084 19.643 No H/Q in entry = 5 In of MODEL 13 1 H1 MET 1 HT2 MET 1 -5.115 -6.910 -2.479 2 H2 MET 1 HT1 MET 1 -5.623 -7.421 -0.953 3 H3 MET 1 HT3 MET 1 -5.343 -8.556 -2.174 4 HB3 MET 1 HB1 MET 1 -7.672 -9.561 -2.130 5 HG3 MET 1 HG1 MET 1 -6.925 -8.511 0.120 6 HA MET 1 HA MET 1 -7.135 -7.636 -3.483 7 HB2 MET 1 HB2 MET 1 -9.033 -8.455 -2.030 8 HG2 MET 1 HG2 MET 1 -8.276 -9.642 0.125 9 HE2 MET 1 HE1 MET 1 -11.363 -7.260 0.473 10 HE1 MET 1 HE2 MET 1 -10.823 -8.935 0.365 11 HE3 MET 1 HE3 MET 1 -10.677 -7.869 -1.035 No H/Q in entry = 11 In of MODEL 13 1 HA GLU 2 HA GLU 2 -7.774 -3.489 -1.564 2 HB2 GLU 2 HB2 GLU 2 -8.898 -4.700 0.993 3 HG2 GLU 2 HG2 GLU 2 -10.273 -3.406 -1.381 4 H GLU 2 HN GLU 2 -6.787 -5.974 -0.344 5 HB3 GLU 2 HB1 GLU 2 -8.958 -2.965 0.697 6 HG3 GLU 2 HG1 GLU 2 -10.292 -5.123 -0.962 No H/Q in entry = 6 In of MODEL 13 1 HA VAL 3 HA VAL 3 -4.459 -1.806 0.742 2 HB VAL 3 HB VAL 3 -4.544 0.678 1.066 3 H VAL 3 HN VAL 3 -7.079 -1.567 -0.377 No H/Q in entry = 3 In of MODEL 13 1 HA SER 4 HA SER 4 -6.187 -2.379 4.825 2 HB2 SER 4 HB2 SER 4 -3.795 -4.268 4.640 3 HG SER 4 HG SER 4 -5.607 -4.605 3.102 4 H SER 4 HN SER 4 -4.321 -2.825 2.620 5 HB3 SER 4 HB1 SER 4 -5.056 -4.294 5.878 No H/Q in entry = 5 In of MODEL 13 1 HA ALA 5 HA ALA 5 -2.704 0.441 5.792 2 HB2 ALA 5 HB1 ALA 5 -3.115 2.755 5.074 3 HB3 ALA 5 HB2 ALA 5 -4.790 2.352 4.678 4 HB1 ALA 5 HB3 ALA 5 -3.466 1.617 3.774 5 H ALA 5 HN ALA 5 -5.420 -0.080 4.796 No H/Q in entry = 5 In of MODEL 13 1 HA ASN 6 HA ASN 6 -3.654 1.986 9.779 2 HB2 ASN 6 HB2 ASN 6 -2.141 4.394 8.683 3 HD21 ASN 6 HD21 ASN 6 -0.340 4.289 10.924 4 HD22 ASN 6 HD22 ASN 6 0.727 2.958 10.654 5 H ASN 6 HN ASN 6 -2.506 2.427 7.235 6 HB3 ASN 6 HB1 ASN 6 -2.549 4.187 10.380 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 7 HA GLU 7 -6.263 5.936 8.506 2 HB2 GLU 7 HB2 GLU 7 -6.925 6.551 6.149 3 HG2 GLU 7 HG2 GLU 7 -4.775 4.560 5.343 4 H GLU 7 HN GLU 7 -4.305 4.365 7.257 5 HB3 GLU 7 HB1 GLU 7 -5.200 6.706 6.475 6 HG3 GLU 7 HG1 GLU 7 -6.496 4.364 5.044 No H/Q in entry = 6 In of MODEL 13 1 HA LEU 8 HA LEU 8 -9.355 2.702 6.781 2 HB2 LEU 8 HB2 LEU 8 -7.102 0.862 6.029 3 HG LEU 8 HG LEU 8 -8.361 0.413 3.991 4 HD13 LEU 8 HD11 LEU 8 -10.497 1.438 3.487 5 HD12 LEU 8 HD12 LEU 8 -10.559 2.182 5.087 6 HD11 LEU 8 HD13 LEU 8 -10.612 0.424 4.924 7 HD21 LEU 8 HD21 LEU 8 -6.921 2.383 3.967 8 HD23 LEU 8 HD22 LEU 8 -8.255 3.396 4.523 9 HD22 LEU 8 HD23 LEU 8 -8.333 2.619 2.938 10 H LEU 8 HN LEU 8 -6.478 2.837 6.846 11 HB3 LEU 8 HB1 LEU 8 -8.631 0.100 6.395 No H/Q in entry = 11 In of MODEL 13 1 HA GLU 9 HA GLU 9 -6.941 1.358 11.283 2 HB2 GLU 9 HB2 GLU 9 -8.755 1.392 12.816 3 HG2 GLU 9 HG2 GLU 9 -10.731 1.207 10.532 4 H GLU 9 HN GLU 9 -7.210 2.433 9.327 5 HB3 GLU 9 HB1 GLU 9 -9.102 2.685 11.682 6 HG3 GLU 9 HG1 GLU 9 -10.397 -0.058 11.706 No H/Q in entry = 6 In of MODEL 13 1 HA ALA 10 HA ALA 10 -8.596 -2.525 9.106 2 HB3 ALA 10 HB1 ALA 10 -7.321 -3.345 7.192 3 HB2 ALA 10 HB2 ALA 10 -6.092 -2.107 7.465 4 HB1 ALA 10 HB3 ALA 10 -7.729 -1.637 7.006 5 H ALA 10 HN ALA 10 -6.874 -0.274 8.974 No H/Q in entry = 5 In of MODEL 13 1 HA ALA 11 HA ALA 11 -4.541 -4.375 11.196 2 HB1 ALA 11 HB1 ALA 11 -4.783 -2.128 13.230 3 HB2 ALA 11 HB2 ALA 11 -3.523 -2.280 12.008 4 HB3 ALA 11 HB3 ALA 11 -3.636 -3.472 13.301 5 H ALA 11 HN ALA 11 -5.715 -1.847 10.830 No H/Q in entry = 5 In of MODEL 13 1 HA SER 12 HA SER 12 -7.621 -4.879 14.898 2 HB2 SER 12 HB2 SER 12 -8.261 -2.520 15.373 3 HG SER 12 HG SER 12 -10.610 -4.118 15.226 4 H SER 12 HN SER 12 -7.076 -2.748 13.108 5 HB3 SER 12 HB1 SER 12 -9.446 -2.574 14.069 No H/Q in entry = 5 In of MODEL 13 1 HA SER 13 HA SER 13 -11.375 -5.617 11.865 2 HB2 SER 13 HB2 SER 13 -10.035 -4.295 9.466 3 HG SER 13 HG SER 13 -11.647 -2.673 9.849 4 H SER 13 HN SER 13 -9.254 -3.774 11.915 5 HB3 SER 13 HB1 SER 13 -11.684 -4.924 9.538 No H/Q in entry = 5 In of MODEL 13 1 HA ARG 14 HA ARG 14 -8.320 -8.235 9.122 2 HB2 ARG 14 HB2 ARG 14 -6.399 -6.688 8.792 3 HG2 ARG 14 HG2 ARG 14 -4.479 -8.235 8.819 4 HD2 ARG 14 HD2 ARG 14 -7.056 -9.604 7.983 5 HE ARG 14 HE ARG 14 -4.531 -10.705 7.879 6 HH11 ARG 14 HH11 ARG 14 -6.885 -9.764 5.446 7 HH12 ARG 14 HH12 ARG 14 -6.438 -11.037 4.358 8 HH21 ARG 14 HH21 ARG 14 -3.954 -12.341 6.426 9 HH22 ARG 14 HH22 ARG 14 -4.795 -12.502 4.920 10 H ARG 14 HN ARG 14 -8.092 -5.817 10.579 11 HB3 ARG 14 HB1 ARG 14 -5.847 -7.011 10.426 12 HG3 ARG 14 HG1 ARG 14 -5.398 -9.372 9.811 13 HD3 ARG 14 HD1 ARG 14 -6.103 -8.488 6.994 No H/Q in entry = 13 In of MODEL 13 1 HA MET 15 HA MET 15 -6.545 -10.116 13.184 2 HB2 MET 15 HB2 MET 15 -7.101 -7.610 14.810 3 HG2 MET 15 HG2 MET 15 -4.524 -9.094 14.216 4 HE2 MET 15 HE1 MET 15 -1.996 -6.834 16.024 5 HE1 MET 15 HE2 MET 15 -2.433 -6.926 14.317 6 HE3 MET 15 HE3 MET 15 -2.281 -8.404 15.272 7 H MET 15 HN MET 15 -7.205 -7.492 12.407 8 HB3 MET 15 HB1 MET 15 -6.598 -9.128 15.551 9 HG3 MET 15 HG1 MET 15 -5.026 -7.571 13.485 No H/Q in entry = 9 In of MODEL 13 1 HA GLU 16 HA GLU 16 -11.075 -10.131 14.942 2 HB2 GLU 16 HB2 GLU 16 -11.928 -8.112 12.828 3 HG2 GLU 16 HG2 GLU 16 -12.225 -7.955 15.847 4 H GLU 16 HN GLU 16 -9.564 -8.314 13.375 5 HB3 GLU 16 HB1 GLU 16 -13.069 -9.010 13.830 6 HG3 GLU 16 HG1 GLU 16 -10.919 -7.180 14.948 No H/Q in entry = 6 In of MODEL 13 1 HA MET 17 HA MET 17 -12.036 -12.130 10.698 2 HB2 MET 17 HB2 MET 17 -9.739 -10.747 9.256 3 HG2 MET 17 HG2 MET 17 -12.739 -10.598 8.818 4 HE2 MET 17 HE1 MET 17 -9.126 -9.750 7.368 5 HE1 MET 17 HE2 MET 17 -9.801 -8.157 7.719 6 HE3 MET 17 HE3 MET 17 -9.556 -8.674 6.045 7 H MET 17 HN MET 17 -10.475 -9.870 11.459 8 HB3 MET 17 HB1 MET 17 -10.698 -12.044 8.554 9 HG3 MET 17 HG1 MET 17 -11.681 -9.293 9.354 No H/Q in entry = 9 In of MODEL 13 1 HA LEU 18 HA LEU 18 -7.784 -14.377 11.082 2 HB2 LEU 18 HB2 LEU 18 -6.564 -12.507 13.143 3 HG LEU 18 HG LEU 18 -6.455 -11.294 11.062 4 HD12 LEU 18 HD11 LEU 18 -3.775 -12.599 11.587 5 HD11 LEU 18 HD12 LEU 18 -4.448 -11.201 12.430 6 HD13 LEU 18 HD13 LEU 18 -4.045 -11.082 10.720 7 HD23 LEU 18 HD21 LEU 18 -5.476 -12.210 8.999 8 HD22 LEU 18 HD22 LEU 18 -6.936 -13.068 9.476 9 HD21 LEU 18 HD23 LEU 18 -5.356 -13.797 9.759 10 H LEU 18 HN LEU 18 -8.656 -11.739 11.770 11 HB3 LEU 18 HB1 LEU 18 -5.785 -13.915 12.433 No H/Q in entry = 11 In of MODEL 13 1 HA GLN 19 HA GLN 19 -9.197 -15.065 15.715 2 HB2 GLN 19 HB2 GLN 19 -11.433 -13.063 15.198 3 HG2 GLN 19 HG2 GLN 19 -9.516 -13.046 17.534 4 HE21 GLN 19 HE21 GLN 19 -9.355 -10.116 17.023 5 HE22 GLN 19 HE22 GLN 19 -10.833 -9.463 17.630 6 H GLN 19 HN GLN 19 -9.426 -12.980 13.815 7 HB3 GLN 19 HB1 GLN 19 -11.418 -14.148 16.584 8 HG3 GLN 19 HG1 GLN 19 -9.219 -12.139 16.054 No H/Q in entry = 8 In of MODEL 13 1 HA ARG 20 HA ARG 20 -13.129 -16.846 13.734 2 HB2 ARG 20 HB2 ARG 20 -14.753 -16.048 12.104 3 HG2 ARG 20 HG2 ARG 20 -12.807 -13.812 11.464 4 HD2 ARG 20 HD2 ARG 20 -15.099 -12.927 11.574 5 HE ARG 20 HE ARG 20 -15.863 -15.327 10.208 6 HH11 ARG 20 HH11 ARG 20 -16.748 -11.951 10.610 7 HH12 ARG 20 HH12 ARG 20 -18.398 -12.214 10.152 8 HH21 ARG 20 HH21 ARG 20 -18.029 -15.649 9.604 9 HH22 ARG 20 HH22 ARG 20 -19.117 -14.298 9.561 10 H ARG 20 HN ARG 20 -11.761 -14.330 13.319 11 HB3 ARG 20 HB1 ARG 20 -14.348 -14.732 13.203 12 HG3 ARG 20 HG1 ARG 20 -13.334 -15.087 10.362 13 HD3 ARG 20 HD1 ARG 20 -14.497 -12.964 9.914 No H/Q in entry = 13 In of MODEL 13 1 HA GLU 21 HA GLU 21 -10.897 -18.011 9.765 2 HB2 GLU 21 HB2 GLU 21 -9.925 -15.712 9.247 3 HG2 GLU 21 HG2 GLU 21 -8.041 -16.461 7.794 4 H GLU 21 HN GLU 21 -10.423 -16.025 11.891 5 HB3 GLU 21 HB1 GLU 21 -8.480 -16.185 10.120 6 HG3 GLU 21 HG1 GLU 21 -8.176 -18.072 8.499 No H/Q in entry = 6 In of MODEL 13 1 HA TYR 22 HA TYR 22 -6.989 -19.846 11.470 2 HB2 TYR 22 HB2 TYR 22 -5.847 -17.449 12.963 3 HD1 TYR 22 HD1 TYR 22 -4.319 -15.970 11.818 4 HD2 TYR 22 HD2 TYR 22 -6.074 -19.242 9.707 5 HE1 TYR 22 HE1 TYR 22 -3.536 -15.024 9.695 6 HE2 TYR 22 HE2 TYR 22 -5.292 -18.289 7.583 7 HH TYR 22 HH TYR 22 -4.644 -16.091 6.676 8 H TYR 22 HN TYR 22 -8.089 -17.181 11.862 9 HB3 TYR 22 HB1 TYR 22 -4.978 -18.941 12.616 No H/Q in entry = 9 In of MODEL 13 1 HA SER 23 HA SER 23 -8.452 -19.732 16.115 2 HB2 SER 23 HB2 SER 23 -6.388 -20.517 17.359 3 HG SER 23 HG SER 23 -5.123 -19.064 15.295 4 H SER 23 HN SER 23 -7.297 -17.804 14.420 5 HB3 SER 23 HB1 SER 23 -6.431 -21.078 15.691 No H/Q in entry = 5 In of MODEL 13 1 HA THR 24 HA THR 24 -7.280 -16.421 18.993 2 HB THR 24 HB THR 24 -9.202 -16.036 20.568 3 HG1 THR 24 HG1 THR 24 -10.537 -17.620 20.920 4 HG21 THR 24 HG21 THR 24 -10.053 -16.393 17.679 5 HG23 THR 24 HG22 THR 24 -9.280 -14.963 18.366 6 HG22 THR 24 HG23 THR 24 -10.899 -15.425 18.893 7 H THR 24 HN THR 24 -8.537 -19.020 18.308 No H/Q in entry = 7 In of MODEL 13 1 HA LEU 25 HA LEU 25 -5.753 -18.831 22.364 2 HB2 LEU 25 HB2 LEU 25 -4.172 -16.769 21.995 3 HG LEU 25 HG LEU 25 -4.221 -18.036 24.765 4 HD12 LEU 25 HD11 LEU 25 -2.755 -18.900 22.251 5 HD11 LEU 25 HD12 LEU 25 -4.124 -19.732 23.000 6 HD13 LEU 25 HD13 LEU 25 -2.588 -19.624 23.851 7 HD22 LEU 25 HD21 LEU 25 -1.836 -17.437 24.854 8 HD21 LEU 25 HD22 LEU 25 -2.850 -16.000 24.717 9 HD23 LEU 25 HD23 LEU 25 -1.975 -16.606 23.302 10 H LEU 25 HN LEU 25 -6.439 -16.278 21.118 11 HB3 LEU 25 HB1 LEU 25 -4.971 -16.088 23.409 No H/Q in entry = 11 In of MODEL 13 1 HA ARG 26 HA ARG 26 -9.123 -18.037 25.149 2 HB2 ARG 26 HB2 ARG 26 -10.024 -20.185 26.016 3 HG2 ARG 26 HG2 ARG 26 -8.083 -21.727 24.304 4 HD2 ARG 26 HD2 ARG 26 -10.202 -22.795 25.148 5 HE ARG 26 HE ARG 26 -9.493 -21.711 27.602 6 HH11 ARG 26 HH11 ARG 26 -10.344 -24.910 26.432 7 HH12 ARG 26 HH12 ARG 26 -11.005 -25.404 27.957 8 HH21 ARG 26 HH21 ARG 26 -10.351 -22.391 29.579 9 HH22 ARG 26 HH22 ARG 26 -11.017 -23.986 29.722 10 H ARG 26 HN ARG 26 -7.056 -19.680 23.891 11 HB3 ARG 26 HB1 ARG 26 -9.843 -20.191 24.266 12 HG3 ARG 26 HG1 ARG 26 -7.658 -21.365 25.974 13 HD3 ARG 26 HD1 ARG 26 -8.708 -23.608 25.642 No H/Q in entry = 13 In of MODEL 13 1 HA SER 27 HA SER 27 -6.238 -18.736 28.798 2 HB2 SER 27 HB2 SER 27 -6.293 -21.769 28.358 3 HG SER 27 HG SER 27 -8.316 -19.948 29.041 4 H SER 27 HN SER 27 -6.215 -19.838 26.094 5 HB3 SER 27 HB1 SER 27 -6.200 -20.938 29.912 No H/Q in entry = 5 In of MODEL 13 1 HA VAL 28 HA VAL 28 -2.039 -20.400 28.504 2 HB VAL 28 HB VAL 28 -1.669 -17.587 29.641 3 H VAL 28 HN VAL 28 -4.213 -18.912 29.830 No H/Q in entry = 3 In of MODEL 13 1 HA GLN 29 HA GLN 29 -1.029 -21.017 32.819 2 HB2 GLN 29 HB2 GLN 29 -1.162 -23.407 33.319 3 HG2 GLN 29 HG2 GLN 29 -1.293 -23.912 30.333 4 HE21 GLN 29 HE21 GLN 29 -1.858 -25.236 33.551 5 HE22 GLN 29 HE22 GLN 29 -2.485 -26.748 33.008 6 H GLN 29 HN GLN 29 -1.025 -21.653 29.927 7 HB3 GLN 29 HB1 GLN 29 -2.512 -22.975 32.275 8 HG3 GLN 29 HG1 GLN 29 0.035 -24.366 31.390 No H/Q in entry = 8 In of MODEL 13 1 HA TYR 30 HA TYR 30 3.315 -21.831 32.133 2 HB2 TYR 30 HB2 TYR 30 3.540 -19.765 33.456 3 HD1 TYR 30 HD1 TYR 30 5.081 -21.106 36.277 4 HD2 TYR 30 HD2 TYR 30 5.550 -21.000 32.033 5 HE1 TYR 30 HE1 TYR 30 7.461 -21.675 36.516 6 HE2 TYR 30 HE2 TYR 30 7.927 -21.558 32.278 7 HH TYR 30 HH TYR 30 9.693 -21.426 33.964 8 H TYR 30 HN TYR 30 1.007 -21.053 33.754 9 HB3 TYR 30 HB1 TYR 30 3.182 -20.644 34.941 No H/Q in entry = 9 In of MODEL 13 1 HA ARG 31 HA ARG 31 3.693 -25.512 34.636 2 HB2 ARG 31 HB2 ARG 31 4.677 -26.178 31.826 3 HG2 ARG 31 HG2 ARG 31 1.991 -26.602 33.167 4 HD2 ARG 31 HD2 ARG 31 1.302 -27.776 31.104 5 HE ARG 31 HE ARG 31 3.109 -28.985 32.985 6 HH11 ARG 31 HH11 ARG 31 1.206 -29.625 30.088 7 HH12 ARG 31 HH12 ARG 31 1.153 -31.337 30.362 8 HH21 ARG 31 HH21 ARG 31 3.022 -31.223 33.311 9 HH22 ARG 31 HH22 ARG 31 2.197 -32.237 32.176 10 H ARG 31 HN ARG 31 4.419 -23.685 32.422 11 HB3 ARG 31 HB1 ARG 31 4.421 -27.362 33.110 12 HG3 ARG 31 HG1 ARG 31 2.329 -25.666 31.710 13 HD3 ARG 31 HD1 ARG 31 2.976 -27.767 30.546 No H/Q in entry = 13 In of MODEL 13 1 HA SER 32 HA SER 32 7.757 -24.209 35.737 2 HB2 SER 32 HB2 SER 32 7.920 -24.544 38.238 3 HG SER 32 HG SER 32 5.989 -25.315 39.246 4 H SER 32 HN SER 32 5.188 -25.435 36.132 5 HB3 SER 32 HB1 SER 32 6.463 -23.690 37.727 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 33 HA GLU 33 9.183 -28.653 36.822 2 HB2 GLU 33 HB2 GLU 33 8.082 -30.815 36.834 3 HG2 GLU 33 HG2 GLU 33 6.415 -30.437 34.978 4 H GLU 33 HN GLU 33 6.599 -27.477 36.517 5 HB3 GLU 33 HB1 GLU 33 7.173 -29.676 37.812 6 HG3 GLU 33 HG1 GLU 33 5.807 -31.259 36.414 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 34 HA GLU 34 8.839 -29.477 32.210 2 HB2 GLU 34 HB2 GLU 34 6.531 -27.562 31.700 3 HG2 GLU 34 HG2 GLU 34 5.740 -29.427 33.068 4 H GLU 34 HN GLU 34 7.173 -28.012 34.102 5 HB3 GLU 34 HB1 GLU 34 7.242 -28.680 30.530 6 HG3 GLU 34 HG1 GLU 34 5.104 -29.516 31.422 No H/Q in entry = 6 In of MODEL 13 1 HA3 GLY 35 HA2 GLY 35 9.888 -24.414 33.358 2 H GLY 35 HN GLY 35 8.631 -26.307 33.573 3 HA2 GLY 35 HA1 GLY 35 11.037 -25.355 32.415 No H/Q in entry = 3 In of MODEL 13 1 HA VAL 36 HA VAL 36 8.396 -23.292 29.166 2 HB VAL 36 HB VAL 36 7.108 -24.645 27.595 3 H VAL 36 HN VAL 36 7.690 -25.077 31.426 No H/Q in entry = 3 In of MODEL 13 1 HA ILE 37 HA ILE 37 4.271 -21.766 30.036 2 HB ILE 37 HB ILE 37 5.177 -19.949 27.746 3 HD11 ILE 37 HD11 ILE 37 5.353 -17.416 29.598 4 HD13 ILE 37 HD12 ILE 37 6.598 -17.873 28.430 5 HD12 ILE 37 HD13 ILE 37 7.016 -17.662 30.128 6 H ILE 37 HN ILE 37 6.655 -22.067 28.319 No H/Q in entry = 6 In of MODEL 13 1 HA VAL 38 HA VAL 38 2.181 -23.684 26.594 2 HB VAL 38 HB VAL 38 0.752 -24.481 29.170 3 H VAL 38 HN VAL 38 2.451 -22.692 29.352 No H/Q in entry = 3 In of MODEL 13 1 HA PHE 39 HA PHE 39 -0.964 -20.536 26.162 2 HB2 PHE 39 HB2 PHE 39 0.357 -20.907 23.435 3 HD1 PHE 39 HD1 PHE 39 -0.070 -17.724 25.171 4 HD2 PHE 39 HD2 PHE 39 2.674 -20.892 24.331 5 HE1 PHE 39 HE1 PHE 39 1.790 -16.299 25.899 6 HE2 PHE 39 HE2 PHE 39 4.536 -19.471 25.072 7 HZ PHE 39 HZ PHE 39 4.094 -17.164 25.858 8 H PHE 39 HN PHE 39 1.196 -22.300 25.333 9 HB3 PHE 39 HB1 PHE 39 -0.774 -19.630 23.865 No H/Q in entry = 9 In of MODEL 13 1 HA ILE 40 HA ILE 40 -3.507 -24.026 24.856 2 HB ILE 40 HB ILE 40 -5.186 -22.577 26.960 3 HD13 ILE 40 HD11 ILE 40 -3.722 -24.632 29.775 4 HD12 ILE 40 HD12 ILE 40 -5.246 -24.991 28.966 5 HD11 ILE 40 HD13 ILE 40 -4.859 -23.331 29.427 6 H ILE 40 HN ILE 40 -2.744 -21.790 26.514 No H/Q in entry = 6 In of MODEL 13 1 HA LEU 41 HA LEU 41 -5.640 -21.292 22.051 2 HB2 LEU 41 HB2 LEU 41 -4.699 -23.817 20.714 3 HG LEU 41 HG LEU 41 -3.244 -21.759 20.691 4 HD11 LEU 41 HD11 LEU 41 -4.237 -22.603 17.949 5 HD13 LEU 41 HD12 LEU 41 -2.961 -23.388 18.882 6 HD12 LEU 41 HD13 LEU 41 -2.725 -21.749 18.280 7 HD22 LEU 41 HD21 LEU 41 -4.986 -20.062 20.687 8 HD21 LEU 41 HD22 LEU 41 -5.532 -20.579 19.089 9 HD23 LEU 41 HD23 LEU 41 -3.941 -19.846 19.286 10 H LEU 41 HN LEU 41 -4.287 -23.697 22.890 11 HB3 LEU 41 HB1 LEU 41 -5.957 -22.899 19.904 No H/Q in entry = 11 In of MODEL 13 1 HA ALA 42 HA ALA 42 -9.823 -22.426 22.611 2 HB1 ALA 42 HB1 ALA 42 -9.971 -20.775 20.063 3 HB2 ALA 42 HB2 ALA 42 -10.023 -20.145 21.708 4 HB3 ALA 42 HB3 ALA 42 -11.333 -21.169 21.120 5 H ALA 42 HN ALA 42 -7.731 -21.149 21.184 No H/Q in entry = 5 In of MODEL 13 1 HA ASN 43 HA ASN 43 -10.042 -25.251 18.805 2 HB2 ASN 43 HB2 ASN 43 -8.365 -25.522 16.915 3 HD21 ASN 43 HD21 ASN 43 -6.142 -25.695 17.156 4 HD22 ASN 43 HD22 ASN 43 -5.090 -24.355 17.380 5 H ASN 43 HN ASN 43 -8.196 -23.157 19.661 6 HB3 ASN 43 HB1 ASN 43 -9.091 -23.921 17.036 No H/Q in entry = 6 In of MODEL 13 1 HA ASP 44 HA ASP 44 -7.190 -26.698 22.696 2 HB2 ASP 44 HB2 ASP 44 -8.573 -28.709 20.873 3 H ASP 44 HN ASP 44 -8.227 -25.233 21.340 4 HB3 ASP 44 HB1 ASP 44 -7.724 -29.180 22.341 No H/Q in entry = 4 In of MODEL 13 1 HA ARG 45 HA ARG 45 -3.466 -27.774 20.646 2 HB2 ARG 45 HB2 ARG 45 -3.992 -26.618 18.523 3 HG2 ARG 45 HG2 ARG 45 -1.248 -25.833 19.549 4 HD2 ARG 45 HD2 ARG 45 -1.799 -24.548 17.556 5 HE ARG 45 HE ARG 45 -3.022 -26.966 16.604 6 HH11 ARG 45 HH11 ARG 45 -1.423 -24.038 15.491 7 HH12 ARG 45 HH12 ARG 45 -2.215 -24.066 13.948 8 HH21 ARG 45 HH21 ARG 45 -4.045 -26.980 14.590 9 HH22 ARG 45 HH22 ARG 45 -3.710 -25.718 13.444 10 H ARG 45 HN ARG 45 -5.443 -25.601 21.035 11 HB3 ARG 45 HB1 ARG 45 -3.604 -25.065 19.251 12 HG3 ARG 45 HG1 ARG 45 -1.665 -27.346 18.730 13 HD3 ARG 45 HD1 ARG 45 -0.615 -25.795 17.168 No H/Q in entry = 13 In of MODEL 13 1 HA GLU 46 HA GLU 46 -1.611 -25.495 23.998 2 HB2 GLU 46 HB2 GLU 46 -0.410 -28.299 24.072 3 HG2 GLU 46 HG2 GLU 46 -1.883 -28.666 26.069 4 H GLU 46 HN GLU 46 -2.025 -27.782 22.234 5 HB3 GLU 46 HB1 GLU 46 -0.252 -27.094 25.339 6 HG3 GLU 46 HG1 GLU 46 -2.746 -27.191 25.644 No H/Q in entry = 6 In of MODEL 13 1 HA LEU 47 HA LEU 47 2.023 -24.699 21.438 2 HB2 LEU 47 HB2 LEU 47 0.749 -22.072 22.183 3 HG LEU 47 HG LEU 47 -0.164 -23.187 20.152 4 HD13 LEU 47 HD11 LEU 47 -0.180 -20.743 20.230 5 HD12 LEU 47 HD12 LEU 47 0.082 -21.305 18.579 6 HD11 LEU 47 HD13 LEU 47 1.438 -20.690 19.530 7 HD21 LEU 47 HD21 LEU 47 1.852 -24.465 19.518 8 HD23 LEU 47 HD22 LEU 47 2.670 -22.963 19.070 9 HD22 LEU 47 HD23 LEU 47 1.251 -23.500 18.165 10 H LEU 47 HN LEU 47 -0.327 -23.967 22.963 11 HB3 LEU 47 HB1 LEU 47 2.358 -22.105 21.480 No H/Q in entry = 11 In of MODEL 13 1 HA LYS 48 HA LYS 48 4.444 -24.562 25.154 2 HB2 LYS 48 HB2 LYS 48 4.472 -26.947 24.666 3 HG2 LYS 48 HG2 LYS 48 7.333 -25.944 24.804 4 HD2 LYS 48 HD2 LYS 48 7.162 -28.387 24.102 5 HE2 LYS 48 HE2 LYS 48 6.740 -29.987 26.027 6 HZ2 LYS 48 HZ1 LYS 48 4.373 -30.088 25.733 7 HZ1 LYS 48 HZ2 LYS 48 5.119 -29.788 24.245 8 HZ3 LYS 48 HZ3 LYS 48 4.341 -28.535 25.068 9 H LYS 48 HN LYS 48 3.836 -25.237 22.352 10 HB3 LYS 48 HB1 LYS 48 5.503 -26.700 23.258 11 HG3 LYS 48 HG1 LYS 48 6.290 -26.326 26.171 12 HD3 LYS 48 HD1 LYS 48 8.065 -28.063 25.580 13 HE3 LYS 48 HE1 LYS 48 5.946 -28.659 26.863 No H/Q in entry = 13 In of MODEL 13 1 HA PHE 49 HA PHE 49 8.137 -22.480 23.850 2 HB2 PHE 49 HB2 PHE 49 6.036 -20.275 24.114 3 HD1 PHE 49 HD1 PHE 49 8.488 -20.633 21.392 4 HD2 PHE 49 HD2 PHE 49 4.438 -21.366 22.565 5 HE1 PHE 49 HE1 PHE 49 7.878 -21.065 19.044 6 HE2 PHE 49 HE2 PHE 49 3.843 -21.793 20.211 7 HZ PHE 49 HZ PHE 49 5.559 -21.642 18.454 8 H PHE 49 HN PHE 49 5.583 -22.717 25.301 9 HB3 PHE 49 HB1 PHE 49 7.701 -19.985 23.625 No H/Q in entry = 9 In of MODEL 13 1 HA ARG 50 HA ARG 50 9.268 -21.994 28.130 2 HB2 ARG 50 HB2 ARG 50 11.859 -21.611 26.568 3 HG2 ARG 50 HG2 ARG 50 10.930 -24.082 28.059 4 HD2 ARG 50 HD2 ARG 50 13.457 -23.564 26.456 5 HE ARG 50 HE ARG 50 12.302 -26.044 27.280 6 HH11 ARG 50 HH11 ARG 50 15.394 -24.437 26.819 7 HH12 ARG 50 HH12 ARG 50 16.280 -25.918 26.691 8 HH21 ARG 50 HH21 ARG 50 13.482 -27.976 27.126 9 HH22 ARG 50 HH22 ARG 50 15.196 -27.928 26.877 10 H ARG 50 HN ARG 50 9.727 -22.249 25.340 11 HB3 ARG 50 HB1 ARG 50 11.758 -21.770 28.317 12 HG3 ARG 50 HG1 ARG 50 11.023 -23.919 26.300 13 HD3 ARG 50 HD1 ARG 50 13.379 -23.694 28.216 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 51 HA PRO 51 9.350 -17.523 28.977 2 HB2 PRO 51 HB2 PRO 51 11.431 -18.215 31.051 3 HG2 PRO 51 HG2 PRO 51 10.026 -19.736 32.154 4 HD2 PRO 51 HD2 PRO 51 10.720 -20.973 30.296 5 HB3 PRO 51 HB1 PRO 51 9.957 -17.244 31.219 6 HG3 PRO 51 HG1 PRO 51 8.571 -19.136 31.329 7 HD3 PRO 51 HD1 PRO 51 8.962 -21.028 30.034 No H/Q in entry = 7 In of MODEL 13 1 HA ASP 52 HA ASP 52 13.963 -16.858 28.147 2 HB2 ASP 52 HB2 ASP 52 15.939 -18.315 28.227 3 H ASP 52 HN ASP 52 12.474 -19.227 28.887 4 HB3 ASP 52 HB1 ASP 52 14.964 -18.500 29.675 No H/Q in entry = 4 In of MODEL 13 1 HA ASP 53 HA ASP 53 13.478 -18.617 23.843 2 HB2 ASP 53 HB2 ASP 53 10.673 -19.637 24.475 3 H ASP 53 HN ASP 53 11.998 -18.823 26.375 4 HB3 ASP 53 HB1 ASP 53 11.346 -19.581 22.852 No H/Q in entry = 4 In of MODEL 13 1 HA LEU 54 HA LEU 54 9.883 -15.575 23.268 2 HB2 LEU 54 HB2 LEU 54 8.783 -15.800 26.089 3 HG LEU 54 HG LEU 54 8.598 -17.955 24.791 4 HD11 LEU 54 HD11 LEU 54 6.999 -17.398 26.554 5 HD13 LEU 54 HD12 LEU 54 6.229 -18.302 25.255 6 HD12 LEU 54 HD13 LEU 54 5.973 -16.558 25.386 7 HD21 LEU 54 HD21 LEU 54 8.439 -17.016 22.523 8 HD23 LEU 54 HD22 LEU 54 6.868 -16.306 22.908 9 HD22 LEU 54 HD23 LEU 54 7.061 -18.060 22.870 10 H LEU 54 HN LEU 54 10.781 -17.157 25.568 11 HB3 LEU 54 HB1 LEU 54 7.993 -14.971 24.751 No H/Q in entry = 11 In of MODEL 13 1 HA GLN 55 HA GLN 55 11.879 -11.869 24.492 2 HB2 GLN 55 HB2 GLN 55 11.070 -11.275 22.242 3 HG2 GLN 55 HG2 GLN 55 10.478 -9.061 24.229 4 HE21 GLN 55 HE21 GLN 55 12.355 -8.815 21.321 5 HE22 GLN 55 HE22 GLN 55 11.293 -7.734 20.492 6 H GLN 55 HN GLN 55 9.888 -13.369 23.157 7 HB3 GLN 55 HB1 GLN 55 9.470 -10.912 22.889 8 HG3 GLN 55 HG1 GLN 55 12.036 -9.393 23.474 No H/Q in entry = 8 In of MODEL 13 1 HA ALA 56 HA ALA 56 7.888 -9.976 26.759 2 HB1 ALA 56 HB1 ALA 56 6.501 -12.698 26.749 3 HB2 ALA 56 HB2 ALA 56 6.058 -11.317 25.751 4 HB3 ALA 56 HB3 ALA 56 5.867 -11.227 27.505 5 H ALA 56 HN ALA 56 8.345 -12.044 24.972 No H/Q in entry = 5 In of MODEL 13 1 HA THR 57 HA THR 57 8.995 -12.852 30.280 2 HB THR 57 HB THR 57 8.777 -15.353 30.241 3 HG1 THR 57 HG1 THR 57 9.792 -15.265 27.926 4 HG23 THR 57 HG21 THR 57 6.502 -15.409 29.319 5 HG22 THR 57 HG22 THR 57 6.804 -13.905 28.447 6 HG21 THR 57 HG23 THR 57 6.761 -13.912 30.207 7 H THR 57 HN THR 57 9.225 -13.140 27.346 No H/Q in entry = 7 In of MODEL 13 1 HA TYR 58 HA TYR 58 13.343 -14.307 28.932 2 HB2 TYR 58 HB2 TYR 58 13.086 -13.265 26.591 3 HD1 TYR 58 HD1 TYR 58 14.621 -15.316 26.702 4 HD2 TYR 58 HD2 TYR 58 16.018 -11.358 27.499 5 HE1 TYR 58 HE1 TYR 58 16.933 -16.049 26.300 6 HE2 TYR 58 HE2 TYR 58 18.328 -12.092 27.089 7 HH TYR 58 HH TYR 58 19.106 -14.996 25.607 8 H TYR 58 HN TYR 58 11.267 -12.522 28.042 9 HB3 TYR 58 HB1 TYR 58 13.650 -11.754 27.290 No H/Q in entry = 9 In of MODEL 13 1 HA3 GLY 59 HA2 GLY 59 14.987 -12.989 32.813 2 H GLY 59 HN GLY 59 13.662 -14.014 31.110 3 HA2 GLY 59 HA1 GLY 59 14.728 -11.420 32.072 No H/Q in entry = 3 In of MODEL 13 1 HA ALA 60 HA ALA 60 10.819 -11.746 34.498 2 HB3 ALA 60 HB1 ALA 60 8.612 -12.555 33.757 3 HB1 ALA 60 HB2 ALA 60 9.375 -13.541 32.505 4 HB2 ALA 60 HB3 ALA 60 9.471 -11.780 32.424 5 H ALA 60 HN ALA 60 11.865 -13.246 32.192 No H/Q in entry = 5 In of MODEL 13 1 HA THR 61 HA THR 61 10.835 -15.437 36.941 2 HB THR 61 HB THR 61 9.659 -14.997 39.166 3 HG1 THR 61 HG1 THR 61 9.319 -12.524 39.313 4 HG22 THR 61 HG21 THR 61 11.326 -13.343 39.953 5 HG21 THR 61 HG22 THR 61 11.742 -12.962 38.280 6 HG23 THR 61 HG23 THR 61 12.062 -14.574 38.927 7 H THR 61 HN THR 61 9.792 -12.802 36.261 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 62 HA PRO 62 7.289 -18.035 36.030 2 HB2 PRO 62 HB2 PRO 62 7.611 -18.890 38.920 3 HG2 PRO 62 HG2 PRO 62 9.829 -19.623 38.512 4 HD2 PRO 62 HD2 PRO 62 10.014 -17.314 38.783 5 HB3 PRO 62 HB1 PRO 62 7.414 -19.892 37.474 6 HG3 PRO 62 HG1 PRO 62 9.632 -19.494 36.749 7 HD3 PRO 62 HD1 PRO 62 10.712 -17.478 37.155 No H/Q in entry = 7 In of MODEL 13 1 HA GLU 63 HA GLU 63 4.609 -16.361 39.803 2 HB2 GLU 63 HB2 GLU 63 6.201 -13.781 40.107 3 HG2 GLU 63 HG2 GLU 63 7.846 -15.476 40.611 4 H GLU 63 HN GLU 63 7.260 -16.049 38.891 5 HB3 GLU 63 HB1 GLU 63 5.039 -14.492 41.233 6 HG3 GLU 63 HG1 GLU 63 7.300 -14.693 42.097 No H/Q in entry = 6 In of MODEL 13 1 HA GLN 64 HA GLN 64 3.830 -12.433 37.108 2 HB2 GLN 64 HB2 GLN 64 6.403 -12.692 35.504 3 HG2 GLN 64 HG2 GLN 64 5.876 -10.806 37.821 4 HE21 GLN 64 HE21 GLN 64 6.498 -8.941 36.667 5 HE22 GLN 64 HE22 GLN 64 8.112 -8.687 36.120 6 H GLN 64 HN GLN 64 6.121 -14.093 37.607 7 HB3 GLN 64 HB1 GLN 64 5.284 -11.329 35.486 8 HG3 GLN 64 HG1 GLN 64 6.971 -12.194 37.858 No H/Q in entry = 8 In of MODEL 13 1 HA LEU 65 HA LEU 65 3.433 -15.316 33.330 2 HB2 LEU 65 HB2 LEU 65 5.095 -17.620 34.503 3 HG LEU 65 HG LEU 65 6.634 -15.731 34.452 4 HD11 LEU 65 HD11 LEU 65 7.539 -17.867 33.737 5 HD13 LEU 65 HD12 LEU 65 8.313 -16.544 32.868 6 HD12 LEU 65 HD13 LEU 65 7.090 -17.534 32.063 7 HD22 LEU 65 HD21 LEU 65 5.437 -14.197 33.029 8 HD21 LEU 65 HD22 LEU 65 5.644 -15.243 31.622 9 HD23 LEU 65 HD23 LEU 65 7.046 -14.451 32.356 10 H LEU 65 HN LEU 65 4.826 -15.463 35.972 11 HB3 LEU 65 HB1 LEU 65 4.644 -17.350 32.821 No H/Q in entry = 11 In of MODEL 13 1 HA ARG 66 HA ARG 66 0.507 -17.797 35.867 2 HB2 ARG 66 HB2 ARG 66 1.136 -16.254 38.439 3 HG2 ARG 66 HG2 ARG 66 3.043 -17.691 37.919 4 HD2 ARG 66 HD2 ARG 66 0.981 -19.904 37.708 5 HE ARG 66 HE ARG 66 3.772 -20.142 38.395 6 HH11 ARG 66 HH11 ARG 66 1.103 -21.707 36.744 7 HH12 ARG 66 HH12 ARG 66 1.789 -23.289 36.879 8 HH21 ARG 66 HH21 ARG 66 4.644 -22.244 38.599 9 HH22 ARG 66 HH22 ARG 66 3.768 -23.602 37.979 10 H ARG 66 HN ARG 66 2.467 -15.630 36.350 11 HB3 ARG 66 HB1 ARG 66 0.027 -17.621 38.291 12 HG3 ARG 66 HG1 ARG 66 2.141 -18.324 39.292 13 HD3 ARG 66 HD1 ARG 66 2.064 -19.334 36.432 No H/Q in entry = 13 In of MODEL 13 1 HA GLU 67 HA GLU 67 -1.866 -13.761 36.386 2 HB2 GLU 67 HB2 GLU 67 -1.019 -11.383 37.019 3 HG2 GLU 67 HG2 GLU 67 1.384 -13.009 37.901 4 H GLU 67 HN GLU 67 0.900 -14.432 36.907 5 HB3 GLU 67 HB1 GLU 67 -1.100 -12.618 38.266 6 HG3 GLU 67 HG1 GLU 67 1.379 -11.572 36.873 No H/Q in entry = 6 In of MODEL 13 1 HA ILE 68 HA ILE 68 -0.806 -12.564 32.244 2 HB ILE 68 HB ILE 68 -1.595 -15.514 32.342 3 HD13 ILE 68 HD11 ILE 68 0.427 -17.115 32.293 4 HD12 ILE 68 HD12 ILE 68 2.002 -16.470 31.843 5 HD11 ILE 68 HD13 ILE 68 0.721 -16.558 30.638 6 H ILE 68 HN ILE 68 -2.210 -14.086 34.355 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 69 HA GLU 69 -5.069 -12.287 30.759 2 HB2 GLU 69 HB2 GLU 69 -4.499 -9.993 31.559 3 HG2 GLU 69 HG2 GLU 69 -5.775 -9.987 28.810 4 H GLU 69 HN GLU 69 -2.146 -11.735 30.665 5 HB3 GLU 69 HB1 GLU 69 -3.601 -9.687 30.077 6 HG3 GLU 69 HG1 GLU 69 -6.596 -10.058 30.369 No H/Q in entry = 6 In of MODEL 13 1 HA ILE 70 HA ILE 70 -4.444 -13.067 26.360 2 HB ILE 70 HB ILE 70 -7.449 -12.505 26.521 3 HD12 ILE 70 HD11 ILE 70 -4.693 -15.069 27.007 4 HD11 ILE 70 HD12 ILE 70 -5.456 -15.617 25.512 5 HD13 ILE 70 HD13 ILE 70 -5.801 -16.440 27.033 6 H ILE 70 HN ILE 70 -6.107 -12.224 28.596 No H/Q in entry = 6 In of MODEL 13 1 HA SER 71 HA SER 71 -3.359 -9.307 24.525 2 HB2 SER 71 HB2 SER 71 -3.327 -9.305 22.018 3 HG SER 71 HG SER 71 -4.778 -11.744 22.311 4 H SER 71 HN SER 71 -4.290 -11.905 24.316 5 HB3 SER 71 HB1 SER 71 -2.702 -10.809 22.704 No H/Q in entry = 5 In of MODEL 13 1 HA PRO 72 HA PRO 72 -6.908 -6.520 24.082 2 HB2 PRO 72 HB2 PRO 72 -5.792 -4.442 22.675 3 HG2 PRO 72 HG2 PRO 72 -3.866 -5.623 21.931 4 HD2 PRO 72 HD2 PRO 72 -2.976 -7.420 23.161 5 HB3 PRO 72 HB1 PRO 72 -5.419 -4.756 24.381 6 HG3 PRO 72 HG1 PRO 72 -3.275 -4.774 23.380 7 HD3 PRO 72 HD1 PRO 72 -3.429 -6.706 24.727 No H/Q in entry = 7 In of MODEL 13 1 HA SER 73 HA SER 73 -7.316 -7.158 19.397 2 HB2 SER 73 HB2 SER 73 -4.837 -8.895 19.074 3 HG SER 73 HG SER 73 -4.832 -6.456 17.873 4 H SER 73 HN SER 73 -5.218 -7.808 21.323 5 HB3 SER 73 HB1 SER 73 -5.863 -8.277 17.774 No H/Q in entry = 5 In of MODEL 13 1 HA3 GLY 74 HA2 GLY 74 -7.910 -11.474 22.296 2 H GLY 74 HN GLY 74 -6.642 -9.645 21.674 3 HA2 GLY 74 HA1 GLY 74 -8.980 -11.183 20.943 No H/Q in entry = 3 In of MODEL 13 1 HA LEU 75 HA LEU 75 -6.143 -13.983 18.699 2 HB2 LEU 75 HB2 LEU 75 -4.011 -11.853 18.281 3 HG LEU 75 HG LEU 75 -6.073 -11.302 17.047 4 HD13 LEU 75 HD11 LEU 75 -5.125 -11.181 14.784 5 HD12 LEU 75 HD12 LEU 75 -3.888 -12.357 15.228 6 HD11 LEU 75 HD13 LEU 75 -3.921 -10.775 16.008 7 HD22 LEU 75 HD21 LEU 75 -7.090 -13.526 16.895 8 HD21 LEU 75 HD22 LEU 75 -5.819 -14.061 15.791 9 HD23 LEU 75 HD23 LEU 75 -6.951 -12.799 15.295 10 H LEU 75 HN LEU 75 -5.880 -11.285 19.735 11 HB3 LEU 75 HB1 LEU 75 -3.959 -13.443 17.526 No H/Q in entry = 11 In of MODEL 13 1 HA3 GLY 76 HA2 GLY 76 -2.325 -14.868 21.159 2 H GLY 76 HN GLY 76 -3.345 -12.292 20.184 3 HA2 GLY 76 HA1 GLY 76 -1.433 -13.358 21.012 No H/Q in entry = 3 In of MODEL 13 1 HA VAL 77 HA VAL 77 -2.579 -12.939 25.245 2 HB VAL 77 HB VAL 77 -0.670 -14.831 24.993 3 H VAL 77 HN VAL 77 -0.744 -12.834 22.937 No H/Q in entry = 3 In of MODEL 13 1 HA TYR 78 HA TYR 78 0.114 -9.478 26.393 2 HB2 TYR 78 HB2 TYR 78 -2.084 -8.403 25.776 3 HD1 TYR 78 HD1 TYR 78 -2.466 -7.009 29.021 4 HD2 TYR 78 HD2 TYR 78 0.222 -7.036 25.694 5 HE1 TYR 78 HE1 TYR 78 -1.469 -4.897 29.803 6 HE2 TYR 78 HE2 TYR 78 1.210 -4.922 26.475 7 HH TYR 78 HH TYR 78 0.619 -3.010 27.878 8 H TYR 78 HN TYR 78 -2.019 -11.423 26.919 9 HB3 TYR 78 HB1 TYR 78 -2.676 -8.735 27.403 No H/Q in entry = 9 In of MODEL 13 1 HA PHE 79 HA PHE 79 0.667 -10.813 30.625 2 HB2 PHE 79 HB2 PHE 79 3.489 -10.409 29.545 3 HD1 PHE 79 HD1 PHE 79 0.733 -12.752 29.803 4 HD2 PHE 79 HD2 PHE 79 4.759 -12.394 29.097 5 HE1 PHE 79 HE1 PHE 79 0.772 -14.983 28.805 6 HE2 PHE 79 HE2 PHE 79 4.798 -14.628 28.106 7 HZ PHE 79 HZ PHE 79 2.803 -15.933 27.955 8 H PHE 79 HN PHE 79 1.500 -10.188 27.914 9 HB3 PHE 79 HB1 PHE 79 3.064 -11.075 31.119 No H/Q in entry = 9 In of MODEL 13 1 HA GLU 80 HA GLU 80 0.320 -6.398 31.043 2 HB2 GLU 80 HB2 GLU 80 -1.880 -7.318 31.812 3 HG2 GLU 80 HG2 GLU 80 -1.288 -4.854 32.319 4 H GLU 80 HN GLU 80 -0.216 -9.134 31.500 5 HB3 GLU 80 HB1 GLU 80 -1.178 -7.696 33.377 6 HG3 GLU 80 HG1 GLU 80 -2.666 -5.578 33.138 No H/Q in entry = 6 In of MODEL 13 1 HA THR 81 HA THR 81 2.531 -6.902 35.408 2 HB THR 81 HB THR 81 3.249 -9.808 34.817 3 HG1 THR 81 HG1 THR 81 1.397 -9.207 36.803 4 HG23 THR 81 HG21 THR 81 3.772 -9.925 37.227 5 HG22 THR 81 HG22 THR 81 3.371 -8.216 37.413 6 HG21 THR 81 HG23 THR 81 4.766 -8.695 36.443 7 H THR 81 HN THR 81 1.226 -8.602 33.634 No H/Q in entry = 7 In of MODEL 13 1 HA LEU 82 HA LEU 82 6.462 -7.514 32.810 2 HB2 LEU 82 HB2 LEU 82 5.224 -8.922 30.409 3 HG LEU 82 HG LEU 82 4.833 -10.447 32.250 4 HD13 LEU 82 HD11 LEU 82 6.130 -12.362 31.606 5 HD12 LEU 82 HD12 LEU 82 7.362 -11.345 30.857 6 HD11 LEU 82 HD13 LEU 82 5.740 -11.419 30.172 7 HD22 LEU 82 HD21 LEU 82 6.287 -9.483 33.935 8 HD21 LEU 82 HD22 LEU 82 7.722 -10.041 33.066 9 HD23 LEU 82 HD23 LEU 82 6.589 -11.206 33.756 10 H LEU 82 HN LEU 82 3.668 -8.335 32.405 11 HB3 LEU 82 HB1 LEU 82 6.939 -8.794 30.800 No H/Q in entry = 11 In of MODEL 13 1 HA GLU 83 HA GLU 83 2.967 -4.554 30.207 2 HB2 GLU 83 HB2 GLU 83 5.875 -3.659 30.443 3 HG2 GLU 83 HG2 GLU 83 3.515 -2.604 32.027 4 H GLU 83 HN GLU 83 3.613 -6.250 31.549 5 HB3 GLU 83 HB1 GLU 83 4.556 -2.654 29.847 6 HG3 GLU 83 HG1 GLU 83 4.627 -3.823 32.650 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 84 HA GLU 84 4.634 -6.216 26.343 2 HB2 GLU 84 HB2 GLU 84 6.703 -6.969 27.741 3 HG2 GLU 84 HG2 GLU 84 7.756 -8.217 25.951 4 H GLU 84 HN GLU 84 3.924 -7.066 29.074 5 HB3 GLU 84 HB1 GLU 84 6.029 -8.584 27.670 6 HG3 GLU 84 HG1 GLU 84 6.186 -8.606 25.245 No H/Q in entry = 6 In of MODEL 13 1 HA ASP 85 HA ASP 85 1.987 -9.694 25.523 2 HB2 ASP 85 HB2 ASP 85 0.892 -9.224 23.385 3 H ASP 85 HN ASP 85 4.071 -7.735 24.728 4 HB3 ASP 85 HB1 ASP 85 1.154 -7.710 24.238 No H/Q in entry = 4 In of MODEL 13 1 HA VAL 86 HA VAL 86 4.114 -12.142 22.334 2 HB VAL 86 HB VAL 86 2.643 -14.329 23.921 3 H VAL 86 HN VAL 86 1.766 -11.530 24.022 No H/Q in entry = 3 In of MODEL 13 1 HA SER 87 HA SER 87 0.544 -11.994 19.708 2 HB2 SER 87 HB2 SER 87 2.194 -10.651 18.450 3 HG SER 87 HG SER 87 1.162 -10.887 16.619 4 H SER 87 HN SER 87 3.280 -11.923 20.376 5 HB3 SER 87 HB1 SER 87 2.986 -12.120 17.884 No H/Q in entry = 5 In of MODEL 13 1 HA LEU 88 HA LEU 88 -0.015 -16.328 19.205 2 HB2 LEU 88 HB2 LEU 88 -2.362 -15.395 19.422 3 HG LEU 88 HG LEU 88 -2.083 -17.713 17.481 4 HD12 LEU 88 HD11 LEU 88 -2.405 -17.690 20.507 5 HD11 LEU 88 HD12 LEU 88 -0.935 -18.115 19.619 6 HD13 LEU 88 HD13 LEU 88 -2.371 -19.123 19.476 7 HD22 LEU 88 HD21 LEU 88 -4.382 -18.301 18.114 8 HD21 LEU 88 HD22 LEU 88 -4.333 -16.706 17.369 9 HD23 LEU 88 HD23 LEU 88 -4.496 -16.856 19.122 10 H LEU 88 HN LEU 88 -0.755 -13.603 18.999 11 HB3 LEU 88 HB1 LEU 88 -2.405 -15.226 17.680 No H/Q in entry = 11 In of MODEL 13 1 HA ILE 89 HA ILE 89 -0.213 -15.932 14.306 2 HB ILE 89 HB ILE 89 0.516 -12.962 14.422 3 HD13 ILE 89 HD11 ILE 89 -3.531 -14.122 13.586 4 HD12 ILE 89 HD12 ILE 89 -2.416 -15.403 14.061 5 HD11 ILE 89 HD13 ILE 89 -2.290 -14.665 12.459 6 H ILE 89 HN ILE 89 -0.658 -14.213 16.445 No H/Q in entry = 6 In of MODEL 13 1 HA3 GLY 90 HA2 GLY 90 4.462 -14.498 14.972 2 H GLY 90 HN GLY 90 2.025 -13.931 16.175 3 HA2 GLY 90 HA1 GLY 90 4.237 -14.138 16.678 No H/Q in entry = 3 In of MODEL 13 1 HA LEU 91 HA LEU 91 4.864 -18.212 18.053 2 HB2 LEU 91 HB2 LEU 91 1.892 -18.271 18.683 3 HG LEU 91 HG LEU 91 3.080 -16.551 19.995 4 HD11 LEU 91 HD11 LEU 91 2.318 -18.975 21.649 5 HD13 LEU 91 HD12 LEU 91 1.230 -17.715 21.060 6 HD12 LEU 91 HD13 LEU 91 2.466 -17.321 22.252 7 HD21 LEU 91 HD21 LEU 91 4.916 -18.809 20.861 8 HD23 LEU 91 HD22 LEU 91 4.879 -17.201 21.584 9 HD22 LEU 91 HD23 LEU 91 5.352 -17.393 19.900 10 H LEU 91 HN LEU 91 2.848 -16.271 17.642 11 HB3 LEU 91 HB1 LEU 91 3.025 -19.499 19.239 No H/Q in entry = 11 In of MODEL 13 1 HA LEU 92 HA LEU 92 2.089 -20.852 15.057 2 HB2 LEU 92 HB2 LEU 92 0.931 -18.358 13.771 3 HG LEU 92 HG LEU 92 -0.135 -18.869 15.987 4 HD12 LEU 92 HD11 LEU 92 -1.940 -19.203 13.573 5 HD11 LEU 92 HD12 LEU 92 -1.389 -17.680 14.279 6 HD13 LEU 92 HD13 LEU 92 -2.457 -18.737 15.198 7 HD22 LEU 92 HD21 LEU 92 -1.567 -20.857 16.218 8 HD21 LEU 92 HD22 LEU 92 0.124 -21.301 16.021 9 HD23 LEU 92 HD23 LEU 92 -0.992 -21.466 14.662 10 H LEU 92 HN LEU 92 2.024 -18.167 15.974 11 HB3 LEU 92 HB1 LEU 92 0.579 -19.997 13.244 No H/Q in entry = 11 In of MODEL 13 1 HA GLU 93 HA GLU 93 4.703 -19.054 11.499 2 HB2 GLU 93 HB2 GLU 93 5.055 -16.249 12.647 3 HG2 GLU 93 HG2 GLU 93 2.750 -16.522 11.927 4 H GLU 93 HN GLU 93 3.554 -17.829 13.881 5 HB3 GLU 93 HB1 GLU 93 5.653 -16.787 11.077 6 HG3 GLU 93 HG1 GLU 93 3.621 -15.474 10.813 No H/Q in entry = 6 In of MODEL 13 1 HA3 GLY 94 HA2 GLY 94 7.528 -19.905 15.696 2 H GLY 94 HN GLY 94 5.598 -18.993 14.740 3 HA2 GLY 94 HA1 GLY 94 8.371 -19.757 14.162 No H/Q in entry = 3 In of MODEL 13 1 HA ARG 95 HA ARG 95 9.279 -15.400 15.363 2 HB2 ARG 95 HB2 ARG 95 7.434 -14.698 13.694 3 HG2 ARG 95 HG2 ARG 95 7.191 -12.261 14.693 4 HD2 ARG 95 HD2 ARG 95 9.539 -11.722 13.991 5 HE ARG 95 HE ARG 95 7.596 -12.296 12.348 6 HH11 ARG 95 HH11 ARG 95 10.816 -13.690 12.189 7 HH12 ARG 95 HH12 ARG 95 10.775 -13.836 10.465 8 HH21 ARG 95 HH21 ARG 95 7.536 -12.555 10.118 9 HH22 ARG 95 HH22 ARG 95 8.909 -13.210 9.291 10 H ARG 95 HN ARG 95 6.947 -16.870 14.579 11 HB3 ARG 95 HB1 ARG 95 6.416 -14.389 15.083 12 HG3 ARG 95 HG1 ARG 95 8.428 -12.815 15.820 13 HD3 ARG 95 HD1 ARG 95 9.848 -13.458 13.831 No H/Q in entry = 13 In of MODEL 13 1 HA ARG 96 HA ARG 96 7.651 -16.113 19.591 2 HB2 ARG 96 HB2 ARG 96 9.287 -17.315 20.961 3 HG2 ARG 96 HG2 ARG 96 11.259 -16.502 18.867 4 HD2 ARG 96 HD2 ARG 96 11.359 -18.862 18.449 5 HE ARG 96 HE ARG 96 11.198 -19.247 21.366 6 HH11 ARG 96 HH11 ARG 96 11.140 -20.652 18.150 7 HH12 ARG 96 HH12 ARG 96 10.732 -22.236 18.720 8 HH21 ARG 96 HH21 ARG 96 10.676 -21.370 22.089 9 HH22 ARG 96 HH22 ARG 96 10.475 -22.639 20.929 10 H ARG 96 HN ARG 96 9.675 -16.264 17.499 11 HB3 ARG 96 HB1 ARG 96 9.106 -18.077 19.393 12 HG3 ARG 96 HG1 ARG 96 11.479 -16.726 20.604 13 HD3 ARG 96 HD1 ARG 96 12.726 -18.435 19.477 No H/Q in entry = 13 In of MODEL 13 1 HA3 GLY 97 HA2 GLY 97 9.360 -12.034 20.399 2 H GLY 97 HN GLY 97 9.969 -14.042 18.354 3 HA2 GLY 97 HA1 GLY 97 11.068 -12.383 20.103 No H/Q in entry = 3 In of MODEL 13 1 HA SER 98 HA SER 98 9.937 -9.269 16.903 2 HB2 SER 98 HB2 SER 98 10.652 -7.471 18.339 3 HG SER 98 HG SER 98 11.252 -6.737 16.413 4 H SER 98 HN SER 98 10.962 -10.008 19.451 5 HB3 SER 98 HB1 SER 98 12.240 -8.183 18.584 No H/Q in entry = 5 In of MODEL 13 1 HA ALA 99 HA ALA 99 12.578 -11.545 14.164 2 HB1 ALA 99 HB1 ALA 99 11.018 -10.535 12.549 3 HB2 ALA 99 HB2 ALA 99 12.660 -10.531 11.908 4 HB3 ALA 99 HB3 ALA 99 11.958 -9.042 12.548 5 H ALA 99 HN ALA 99 10.835 -9.445 14.841 No H/Q in entry = 5 In of MODEL 13 1 HA LYS 100 HA LYS 100 15.980 -8.063 14.116 2 HB2 LYS 100 HB2 LYS 100 14.531 -6.029 14.262 3 HG2 LYS 100 HG2 LYS 100 16.835 -5.892 16.238 4 HD2 LYS 100 HD2 LYS 100 15.526 -3.716 14.570 5 HE2 LYS 100 HE2 LYS 100 17.833 -3.534 16.529 6 HZ3 LYS 100 HZ1 LYS 100 17.904 -1.231 15.795 7 HZ2 LYS 100 HZ2 LYS 100 16.453 -1.586 16.582 8 HZ1 LYS 100 HZ3 LYS 100 16.492 -1.461 14.896 9 H LYS 100 HN LYS 100 13.212 -8.113 14.731 10 HB3 LYS 100 HB1 LYS 100 14.412 -6.259 16.004 11 HG3 LYS 100 HG1 LYS 100 16.988 -5.721 14.485 12 HD3 LYS 100 HD1 LYS 100 15.401 -3.890 16.325 13 HE3 LYS 100 HE1 LYS 100 17.965 -3.382 14.776 No H/Q in entry = 13 In of MODEL 13 1 HA TRP 101 HA TRP 101 16.330 -8.538 18.990 2 HB2 TRP 101 HB2 TRP 101 14.006 -8.270 19.735 3 HD1 TRP 101 HD1 TRP 101 15.801 -8.207 21.889 4 HE1 TRP 101 HE1 TRP 101 15.936 -9.803 23.895 5 HE3 TRP 101 HE3 TRP 101 13.254 -12.196 19.951 6 HZ2 TRP 101 HZ2 TRP 101 15.103 -12.397 24.577 7 HZ3 TRP 101 HZ3 TRP 101 12.968 -14.208 21.347 8 HH2 TRP 101 HH2 TRP 101 13.876 -14.306 23.621 9 H TRP 101 HN TRP 101 14.192 -8.409 17.187 10 HB3 TRP 101 HB1 TRP 101 13.593 -9.877 19.159 No H/Q in entry = 10 In of MODEL 13 1 HA MET 102 HA MET 102 16.419 -13.225 18.227 2 HB2 MET 102 HB2 MET 102 14.448 -13.215 15.920 3 HG2 MET 102 HG2 MET 102 14.248 -14.435 18.685 4 HE2 MET 102 HE1 MET 102 12.586 -13.886 15.128 5 HE1 MET 102 HE2 MET 102 11.474 -13.091 16.244 6 HE3 MET 102 HE3 MET 102 10.988 -14.571 15.415 7 H MET 102 HN MET 102 14.820 -11.108 17.076 8 HB3 MET 102 HB1 MET 102 15.299 -14.660 16.457 9 HG3 MET 102 HG1 MET 102 13.370 -13.013 18.123 No H/Q in entry = 9 In of MODEL 13 1 HA ALA 103 HA ALA 103 18.613 -12.610 14.016 2 HB2 ALA 103 HB1 ALA 103 18.915 -10.558 12.667 3 HB1 ALA 103 HB2 ALA 103 17.987 -9.635 13.854 4 HB3 ALA 103 HB3 ALA 103 17.202 -10.908 12.917 5 H ALA 103 HN ALA 103 16.765 -11.002 15.565 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 104 HA GLU 104 21.693 -9.794 16.283 2 HB2 GLU 104 HB2 GLU 104 19.802 -8.411 18.233 3 HG2 GLU 104 HG2 GLU 104 20.608 -7.513 15.461 4 H GLU 104 HN GLU 104 18.785 -10.007 16.408 5 HB3 GLU 104 HB1 GLU 104 21.454 -7.944 17.822 6 HG3 GLU 104 HG1 GLU 104 18.984 -7.759 16.078 No H/Q in entry = 6 In of MODEL 13 1 HA HIS 105 HA HIS 105 21.222 -12.450 20.080 2 HB2 HIS 105 HB2 HIS 105 18.413 -11.664 21.018 3 HD1 HIS 105 HD1 HIS 105 21.226 -10.548 23.063 4 HD2 HIS 105 HD2 HIS 105 18.777 -8.923 20.124 5 HE1 HIS 105 HE1 HIS 105 21.512 -8.060 23.243 6 HE2 HIS 105 HE2 HIS 105 19.890 -7.100 21.582 7 H HIS 105 HN HIS 105 19.190 -11.162 18.333 8 HB3 HIS 105 HB1 HIS 105 19.737 -12.268 22.003 No H/Q in entry = 8 In of MODEL 13 1 HA PRO 106 HA PRO 106 18.675 -15.682 17.845 2 HB2 PRO 106 HB2 PRO 106 20.726 -17.509 17.534 3 HG2 PRO 106 HG2 PRO 106 22.427 -16.298 18.599 4 HD2 PRO 106 HD2 PRO 106 22.254 -13.994 18.980 5 HB3 PRO 106 HB1 PRO 106 20.384 -16.213 16.385 6 HG3 PRO 106 HG1 PRO 106 22.619 -15.728 16.927 7 HD3 PRO 106 HD1 PRO 106 21.576 -13.679 17.367 No H/Q in entry = 7 In of MODEL 13 1 HA LEU 107 HA LEU 107 18.344 -18.268 21.432 2 HB2 LEU 107 HB2 LEU 107 16.006 -17.906 20.592 3 HG LEU 107 HG LEU 107 16.530 -20.765 21.496 4 HD12 LEU 107 HD11 LEU 107 15.703 -19.980 23.685 5 HD11 LEU 107 HD12 LEU 107 15.577 -18.339 23.049 6 HD13 LEU 107 HD13 LEU 107 17.157 -19.118 23.177 7 HD23 LEU 107 HD21 LEU 107 13.856 -19.352 21.251 8 HD22 LEU 107 HD22 LEU 107 14.129 -20.927 22.000 9 HD21 LEU 107 HD23 LEU 107 14.416 -20.713 20.275 10 H LEU 107 HN LEU 107 17.869 -17.590 18.611 11 HB3 LEU 107 HB1 LEU 107 16.218 -19.243 19.474 No H/Q in entry = 11 In of MODEL 13 1 HA ALA 108 HA ALA 108 20.333 -22.141 20.333 2 HB3 ALA 108 HB1 ALA 108 19.018 -22.830 22.993 3 HB1 ALA 108 HB2 ALA 108 20.643 -22.178 22.789 4 HB2 ALA 108 HB3 ALA 108 20.262 -23.786 22.174 5 H ALA 108 HN ALA 108 18.804 -20.471 22.071 No H/Q in entry = 5 In of MODEL 13 1 HA SER 109 HA SER 109 16.771 -24.238 18.595 2 HB2 SER 109 HB2 SER 109 15.792 -21.976 18.918 3 HG SER 109 HG SER 109 15.378 -22.704 16.210 4 H SER 109 HN SER 109 19.111 -22.503 18.504 5 HB3 SER 109 HB1 SER 109 16.645 -21.380 17.496 No H/Q in entry = 5 In of MODEL 14 1 H1 MET 1 HT1 MET 1 -10.579 -8.441 -3.016 2 H2 MET 1 HT3 MET 1 -11.712 -9.247 -2.060 3 H3 MET 1 HT2 MET 1 -11.929 -9.155 -3.736 4 HB3 MET 1 HB1 MET 1 -14.413 -6.772 -2.398 5 HG3 MET 1 HG1 MET 1 -13.937 -9.189 -4.167 6 HA MET 1 HA MET 1 -12.167 -6.754 -3.590 7 HB2 MET 1 HB2 MET 1 -14.040 -8.390 -1.817 8 HG2 MET 1 HG2 MET 1 -14.374 -7.574 -4.715 9 HE1 MET 1 HE1 MET 1 -15.628 -10.769 -2.743 10 HE3 MET 1 HE2 MET 1 -17.254 -10.266 -2.279 11 HE2 MET 1 HE3 MET 1 -15.848 -9.488 -1.552 No H/Q in entry = 11 In of MODEL 14 1 HA GLU 2 HA GLU 2 -10.682 -5.541 0.546 2 HB2 GLU 2 HB2 GLU 2 -8.515 -7.699 0.523 3 HG2 GLU 2 HG2 GLU 2 -11.211 -7.712 1.894 4 H GLU 2 HN GLU 2 -9.995 -7.360 -1.703 5 HB3 GLU 2 HB1 GLU 2 -8.958 -6.659 1.880 6 HG3 GLU 2 HG1 GLU 2 -10.679 -8.810 0.621 No H/Q in entry = 6 In of MODEL 14 1 HA VAL 3 HA VAL 3 -6.753 -3.597 -0.457 2 HB VAL 3 HB VAL 3 -7.166 -1.048 -0.526 3 H VAL 3 HN VAL 3 -9.300 -3.870 1.017 No H/Q in entry = 3 In of MODEL 14 1 HA SER 4 HA SER 4 -5.766 -3.292 3.906 2 HB2 SER 4 HB2 SER 4 -3.345 -4.064 4.140 3 HG SER 4 HG SER 4 -2.344 -4.944 2.388 4 H SER 4 HN SER 4 -5.409 -4.062 1.196 5 HB3 SER 4 HB1 SER 4 -4.458 -5.255 3.475 No H/Q in entry = 5 In of MODEL 14 1 HA ALA 5 HA ALA 5 -3.708 0.637 3.724 2 HB2 ALA 5 HB1 ALA 5 -5.297 1.050 1.874 3 HB3 ALA 5 HB2 ALA 5 -5.197 2.446 2.947 4 HB1 ALA 5 HB3 ALA 5 -6.588 1.358 3.040 5 H ALA 5 HN ALA 5 -6.031 -1.133 4.145 No H/Q in entry = 5 In of MODEL 14 1 HA ASN 6 HA ASN 6 -4.402 2.073 7.776 2 HB2 ASN 6 HB2 ASN 6 -3.903 4.728 6.387 3 HD21 ASN 6 HD21 ASN 6 -2.276 3.471 9.196 4 HD22 ASN 6 HD22 ASN 6 -0.752 3.195 8.434 5 H ASN 6 HN ASN 6 -3.912 2.666 5.054 6 HB3 ASN 6 HB1 ASN 6 -3.971 4.554 8.131 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 7 HA GLU 7 -8.386 4.749 7.088 2 HB2 GLU 7 HB2 GLU 7 -9.714 5.084 5.027 3 HG2 GLU 7 HG2 GLU 7 -7.435 3.945 3.395 4 H GLU 7 HN GLU 7 -6.333 3.801 5.362 5 HB3 GLU 7 HB1 GLU 7 -8.077 5.702 4.848 6 HG3 GLU 7 HG1 GLU 7 -8.817 2.946 3.843 No H/Q in entry = 6 In of MODEL 14 1 HA LEU 8 HA LEU 8 -10.426 0.549 6.226 2 HB2 LEU 8 HB2 LEU 8 -7.976 -0.431 4.804 3 HG LEU 8 HG LEU 8 -9.559 -1.506 3.255 4 HD12 LEU 8 HD11 LEU 8 -11.775 -0.435 5.017 5 HD11 LEU 8 HD12 LEU 8 -11.306 -2.128 4.821 6 HD13 LEU 8 HD13 LEU 8 -11.965 -1.236 3.453 7 HD23 LEU 8 HD21 LEU 8 -10.268 1.399 3.760 8 HD22 LEU 8 HD22 LEU 8 -10.563 0.491 2.272 9 HD21 LEU 8 HD23 LEU 8 -8.913 0.796 2.801 10 H LEU 8 HN LEU 8 -7.776 1.625 5.643 11 HB3 LEU 8 HB1 LEU 8 -8.929 -1.671 5.586 No H/Q in entry = 11 In of MODEL 14 1 HA GLU 9 HA GLU 9 -7.035 0.721 10.143 2 HB2 GLU 9 HB2 GLU 9 -8.579 0.056 11.948 3 HG2 GLU 9 HG2 GLU 9 -10.743 -0.258 9.862 4 H GLU 9 HN GLU 9 -8.066 1.393 8.233 5 HB3 GLU 9 HB1 GLU 9 -9.281 1.332 10.967 6 HG3 GLU 9 HG1 GLU 9 -9.967 -1.606 10.693 No H/Q in entry = 6 In of MODEL 14 1 HA ALA 10 HA ALA 10 -7.204 -3.537 8.106 2 HB1 ALA 10 HB1 ALA 10 -5.992 -2.406 6.319 3 HB3 ALA 10 HB2 ALA 10 -5.258 -3.968 6.691 4 HB2 ALA 10 HB3 ALA 10 -4.505 -2.475 7.263 5 H ALA 10 HN ALA 10 -6.271 -0.926 8.234 No H/Q in entry = 5 In of MODEL 14 1 HA ALA 11 HA ALA 11 -3.538 -4.656 11.110 2 HB3 ALA 11 HB1 ALA 11 -2.812 -3.399 13.109 3 HB1 ALA 11 HB2 ALA 11 -3.939 -2.099 12.707 4 HB2 ALA 11 HB3 ALA 11 -2.580 -2.449 11.640 5 H ALA 11 HN ALA 11 -4.745 -2.227 10.272 No H/Q in entry = 5 In of MODEL 14 1 HA SER 12 HA SER 12 -6.862 -4.668 14.638 2 HB2 SER 12 HB2 SER 12 -7.430 -2.269 14.849 3 HG SER 12 HG SER 12 -9.706 -3.970 14.783 4 H SER 12 HN SER 12 -6.172 -2.764 12.637 5 HB3 SER 12 HB1 SER 12 -8.533 -2.394 13.479 No H/Q in entry = 5 In of MODEL 14 1 HA SER 13 HA SER 13 -10.335 -5.740 11.366 2 HB2 SER 13 HB2 SER 13 -8.448 -5.010 9.069 3 HG SER 13 HG SER 13 -9.342 -3.126 9.191 4 H SER 13 HN SER 13 -8.123 -4.023 11.406 5 HB3 SER 13 HB1 SER 13 -10.072 -5.679 8.886 No H/Q in entry = 5 In of MODEL 14 1 HA ARG 14 HA ARG 14 -7.323 -9.132 9.823 2 HB2 ARG 14 HB2 ARG 14 -4.795 -7.557 10.407 3 HG2 ARG 14 HG2 ARG 14 -5.806 -7.065 8.207 4 HD2 ARG 14 HD2 ARG 14 -5.427 -10.026 7.664 5 HE ARG 14 HE ARG 14 -5.023 -8.294 5.760 6 HH11 ARG 14 HH11 ARG 14 -8.073 -9.963 6.348 7 HH12 ARG 14 HH12 ARG 14 -8.563 -9.874 4.687 8 HH21 ARG 14 HH21 ARG 14 -5.684 -8.230 3.601 9 HH22 ARG 14 HH22 ARG 14 -7.214 -8.907 3.140 10 H ARG 14 HN ARG 14 -6.920 -6.382 10.411 11 HB3 ARG 14 HB1 ARG 14 -4.767 -9.274 10.018 12 HG3 ARG 14 HG1 ARG 14 -4.250 -7.884 8.061 13 HD3 ARG 14 HD1 ARG 14 -6.982 -9.186 7.769 No H/Q in entry = 13 In of MODEL 14 1 HA MET 15 HA MET 15 -5.871 -9.700 14.390 2 HB2 MET 15 HB2 MET 15 -7.388 -7.227 15.325 3 HG2 MET 15 HG2 MET 15 -5.164 -6.614 14.509 4 HE2 MET 15 HE1 MET 15 -2.996 -7.525 13.477 5 HE1 MET 15 HE2 MET 15 -4.005 -8.970 13.382 6 HE3 MET 15 HE3 MET 15 -2.341 -9.094 13.947 7 H MET 15 HN MET 15 -6.684 -7.447 12.866 8 HB3 MET 15 HB1 MET 15 -6.678 -8.430 16.396 9 HG3 MET 15 HG1 MET 15 -5.275 -6.454 16.254 No H/Q in entry = 9 In of MODEL 14 1 HA GLU 16 HA GLU 16 -10.605 -10.171 15.358 2 HB2 GLU 16 HB2 GLU 16 -11.463 -7.903 14.827 3 HG2 GLU 16 HG2 GLU 16 -13.173 -10.045 13.543 4 H GLU 16 HN GLU 16 -9.108 -8.215 13.992 5 HB3 GLU 16 HB1 GLU 16 -11.471 -8.301 13.113 6 HG3 GLU 16 HG1 GLU 16 -13.188 -9.607 15.247 No H/Q in entry = 6 In of MODEL 14 1 HA MET 17 HA MET 17 -11.183 -11.996 10.861 2 HB2 MET 17 HB2 MET 17 -8.626 -10.642 9.924 3 HG2 MET 17 HG2 MET 17 -11.359 -10.618 8.636 4 HE2 MET 17 HE1 MET 17 -11.204 -7.519 7.767 5 HE1 MET 17 HE2 MET 17 -11.778 -8.805 6.701 6 HE3 MET 17 HE3 MET 17 -10.543 -7.679 6.139 7 H MET 17 HN MET 17 -9.672 -9.883 11.960 8 HB3 MET 17 HB1 MET 17 -9.373 -11.938 9.003 9 HG3 MET 17 HG1 MET 17 -10.769 -9.352 9.718 No H/Q in entry = 9 In of MODEL 14 1 HA LEU 18 HA LEU 18 -7.283 -14.650 11.443 2 HB2 LEU 18 HB2 LEU 18 -5.827 -12.710 13.244 3 HG LEU 18 HG LEU 18 -5.709 -12.172 10.789 4 HD12 LEU 18 HD11 LEU 18 -3.068 -13.039 11.991 5 HD11 LEU 18 HD12 LEU 18 -3.886 -11.495 12.251 6 HD13 LEU 18 HD13 LEU 18 -3.287 -11.912 10.648 7 HD23 LEU 18 HD21 LEU 18 -4.338 -14.868 10.524 8 HD22 LEU 18 HD22 LEU 18 -4.469 -13.638 9.262 9 HD21 LEU 18 HD23 LEU 18 -5.919 -14.429 9.870 10 H LEU 18 HN LEU 18 -7.836 -11.936 12.121 11 HB3 LEU 18 HB1 LEU 18 -5.230 -14.327 12.893 No H/Q in entry = 11 In of MODEL 14 1 HA GLN 19 HA GLN 19 -8.669 -15.175 16.137 2 HB2 GLN 19 HB2 GLN 19 -10.869 -13.149 15.570 3 HG2 GLN 19 HG2 GLN 19 -8.803 -13.116 17.783 4 HE21 GLN 19 HE21 GLN 19 -9.002 -10.142 17.442 5 HE22 GLN 19 HE22 GLN 19 -10.431 -9.693 18.303 6 H GLN 19 HN GLN 19 -8.737 -13.101 14.232 7 HB3 GLN 19 HB1 GLN 19 -10.856 -14.199 16.980 8 HG3 GLN 19 HG1 GLN 19 -8.776 -12.087 16.353 No H/Q in entry = 8 In of MODEL 14 1 HA ARG 20 HA ARG 20 -12.547 -16.920 14.089 2 HB2 ARG 20 HB2 ARG 20 -14.180 -16.044 12.521 3 HG2 ARG 20 HG2 ARG 20 -11.982 -14.262 11.572 4 HD2 ARG 20 HD2 ARG 20 -13.469 -12.539 12.398 5 HE ARG 20 HE ARG 20 -15.622 -14.194 11.436 6 HH11 ARG 20 HH11 ARG 20 -14.744 -10.887 12.281 7 HH12 ARG 20 HH12 ARG 20 -16.377 -10.414 12.610 8 HH21 ARG 20 HH21 ARG 20 -17.750 -13.552 11.864 9 HH22 ARG 20 HH22 ARG 20 -18.082 -11.935 12.383 10 H ARG 20 HN ARG 20 -11.087 -14.442 13.623 11 HB3 ARG 20 HB1 ARG 20 -13.698 -14.752 13.610 12 HG3 ARG 20 HG1 ARG 20 -13.279 -15.029 10.661 13 HD3 ARG 20 HD1 ARG 20 -13.578 -12.617 10.639 No H/Q in entry = 13 In of MODEL 14 1 HA GLU 21 HA GLU 21 -10.299 -17.783 9.918 2 HB2 GLU 21 HB2 GLU 21 -8.985 -15.640 9.772 3 HG2 GLU 21 HG2 GLU 21 -6.960 -16.433 8.595 4 H GLU 21 HN GLU 21 -9.890 -16.008 12.182 5 HB3 GLU 21 HB1 GLU 21 -7.779 -16.333 10.843 6 HG3 GLU 21 HG1 GLU 21 -7.300 -18.075 9.139 No H/Q in entry = 6 In of MODEL 14 1 HA TYR 22 HA TYR 22 -7.384 -20.534 12.333 2 HB2 TYR 22 HB2 TYR 22 -5.801 -18.383 13.814 3 HD1 TYR 22 HD1 TYR 22 -5.206 -16.926 11.962 4 HD2 TYR 22 HD2 TYR 22 -4.626 -21.146 11.623 5 HE1 TYR 22 HE1 TYR 22 -3.872 -16.582 9.923 6 HE2 TYR 22 HE2 TYR 22 -3.293 -20.798 9.591 7 HH TYR 22 HH TYR 22 -2.153 -17.748 8.609 8 H TYR 22 HN TYR 22 -7.809 -17.625 12.497 9 HB3 TYR 22 HB1 TYR 22 -5.388 -20.092 13.775 No H/Q in entry = 9 In of MODEL 14 1 HA SER 23 HA SER 23 -9.394 -19.268 16.594 2 HB2 SER 23 HB2 SER 23 -8.235 -20.705 18.319 3 HG SER 23 HG SER 23 -6.133 -20.722 16.413 4 H SER 23 HN SER 23 -7.153 -18.381 15.157 5 HB3 SER 23 HB1 SER 23 -8.297 -21.459 16.727 No H/Q in entry = 5 In of MODEL 14 1 HA THR 24 HA THR 24 -7.484 -16.290 19.345 2 HB THR 24 HB THR 24 -9.061 -15.702 21.185 3 HG1 THR 24 HG1 THR 24 -9.957 -17.630 21.795 4 HG21 THR 24 HG21 THR 24 -9.466 -14.754 18.949 5 HG23 THR 24 HG22 THR 24 -10.981 -15.013 19.816 6 HG22 THR 24 HG23 THR 24 -10.493 -16.132 18.541 7 H THR 24 HN THR 24 -9.323 -18.538 18.832 No H/Q in entry = 7 In of MODEL 14 1 HA LEU 25 HA LEU 25 -5.722 -18.735 22.613 2 HB2 LEU 25 HB2 LEU 25 -4.166 -16.714 22.292 3 HG LEU 25 HG LEU 25 -4.312 -17.769 25.145 4 HD12 LEU 25 HD11 LEU 25 -2.737 -18.795 22.765 5 HD11 LEU 25 HD12 LEU 25 -4.143 -19.580 23.500 6 HD13 LEU 25 HD13 LEU 25 -2.653 -19.409 24.419 7 HD21 LEU 25 HD21 LEU 25 -2.951 -15.727 24.966 8 HD23 LEU 25 HD22 LEU 25 -2.016 -16.450 23.653 9 HD22 LEU 25 HD23 LEU 25 -1.942 -17.138 25.277 10 H LEU 25 HN LEU 25 -6.427 -16.186 21.417 11 HB3 LEU 25 HB1 LEU 25 -5.032 -15.945 23.613 No H/Q in entry = 11 In of MODEL 14 1 HA ARG 26 HA ARG 26 -9.040 -18.087 25.494 2 HB2 ARG 26 HB2 ARG 26 -10.079 -20.212 26.122 3 HG2 ARG 26 HG2 ARG 26 -7.976 -21.724 24.550 4 HD2 ARG 26 HD2 ARG 26 -10.258 -22.754 24.766 5 HE ARG 26 HE ARG 26 -10.195 -21.941 27.387 6 HH11 ARG 26 HH11 ARG 26 -10.567 -25.071 25.854 7 HH12 ARG 26 HH12 ARG 26 -11.556 -25.704 27.125 8 HH21 ARG 26 HH21 ARG 26 -11.479 -22.804 29.049 9 HH22 ARG 26 HH22 ARG 26 -12.069 -24.428 28.929 10 H ARG 26 HN ARG 26 -6.946 -19.678 24.172 11 HB3 ARG 26 HB1 ARG 26 -9.781 -20.159 24.390 12 HG3 ARG 26 HG1 ARG 26 -7.914 -21.586 26.307 13 HD3 ARG 26 HD1 ARG 26 -8.958 -23.703 25.498 No H/Q in entry = 13 In of MODEL 14 1 HA SER 27 HA SER 27 -6.137 -19.020 29.018 2 HB2 SER 27 HB2 SER 27 -6.185 -22.019 28.403 3 HG SER 27 HG SER 27 -8.102 -20.267 29.513 4 H SER 27 HN SER 27 -6.138 -19.948 26.259 5 HB3 SER 27 HB1 SER 27 -5.951 -21.299 29.996 No H/Q in entry = 5 In of MODEL 14 1 HA VAL 28 HA VAL 28 -1.870 -20.420 28.578 2 HB VAL 28 HB VAL 28 -1.693 -17.717 30.008 3 H VAL 28 HN VAL 28 -4.126 -19.152 30.002 No H/Q in entry = 3 In of MODEL 14 1 HA GLN 29 HA GLN 29 -0.775 -21.344 32.849 2 HB2 GLN 29 HB2 GLN 29 -0.872 -23.865 33.022 3 HG2 GLN 29 HG2 GLN 29 -1.453 -23.726 30.058 4 HE21 GLN 29 HE21 GLN 29 -0.579 -26.490 29.818 5 HE22 GLN 29 HE22 GLN 29 -1.909 -27.454 30.350 6 H GLN 29 HN GLN 29 -0.581 -21.597 29.917 7 HB3 GLN 29 HB1 GLN 29 -2.318 -23.156 32.307 8 HG3 GLN 29 HG1 GLN 29 -0.058 -24.497 30.798 No H/Q in entry = 8 In of MODEL 14 1 HA TYR 30 HA TYR 30 3.582 -21.883 32.048 2 HB2 TYR 30 HB2 TYR 30 3.653 -19.670 33.196 3 HD1 TYR 30 HD1 TYR 30 5.426 -21.171 35.949 4 HD2 TYR 30 HD2 TYR 30 5.709 -20.389 31.763 5 HE1 TYR 30 HE1 TYR 30 7.861 -21.540 36.039 6 HE2 TYR 30 HE2 TYR 30 8.127 -20.741 31.855 7 HH TYR 30 HH TYR 30 9.936 -20.584 33.556 8 H TYR 30 HN TYR 30 1.250 -20.995 33.539 9 HB3 TYR 30 HB1 TYR 30 3.458 -20.467 34.756 No H/Q in entry = 9 In of MODEL 14 1 HA ARG 31 HA ARG 31 3.650 -25.517 34.627 2 HB2 ARG 31 HB2 ARG 31 4.474 -26.379 31.828 3 HG2 ARG 31 HG2 ARG 31 1.996 -26.867 33.510 4 HD2 ARG 31 HD2 ARG 31 2.595 -28.030 30.781 5 HE ARG 31 HE ARG 31 0.161 -27.769 32.212 6 HH11 ARG 31 HH11 ARG 31 1.905 -30.202 30.371 7 HH12 ARG 31 HH12 ARG 31 0.461 -31.024 29.887 8 HH21 ARG 31 HH21 ARG 31 -1.702 -28.872 31.594 9 HH22 ARG 31 HH22 ARG 31 -1.580 -30.283 30.601 10 H ARG 31 HN ARG 31 4.003 -23.997 32.155 11 HB3 ARG 31 HB1 ARG 31 4.430 -27.474 33.214 12 HG3 ARG 31 HG1 ARG 31 2.090 -25.981 31.986 13 HD3 ARG 31 HD1 ARG 31 2.686 -28.942 32.293 No H/Q in entry = 13 In of MODEL 14 1 HA SER 32 HA SER 32 7.879 -24.439 35.671 2 HB2 SER 32 HB2 SER 32 6.402 -25.367 38.182 3 HG SER 32 HG SER 32 7.104 -22.716 37.469 4 H SER 32 HN SER 32 5.122 -24.943 36.053 5 HB3 SER 32 HB1 SER 32 8.003 -24.623 38.143 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 33 HA GLU 33 7.918 -29.322 36.660 2 HB2 GLU 33 HB2 GLU 33 5.624 -29.470 34.670 3 HG2 GLU 33 HG2 GLU 33 4.825 -28.882 36.929 4 H GLU 33 HN GLU 33 6.036 -27.385 35.994 5 HB3 GLU 33 HB1 GLU 33 6.465 -30.876 35.320 6 HG3 GLU 33 HG1 GLU 33 4.307 -30.493 36.427 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 34 HA GLU 34 9.504 -29.264 32.260 2 HB2 GLU 34 HB2 GLU 34 7.320 -27.638 30.900 3 HG2 GLU 34 HG2 GLU 34 7.201 -30.562 31.679 4 H GLU 34 HN GLU 34 7.371 -27.701 33.607 5 HB3 GLU 34 HB1 GLU 34 8.351 -28.880 30.186 6 HG3 GLU 34 HG1 GLU 34 6.103 -29.285 32.187 No H/Q in entry = 6 In of MODEL 14 1 HA3 GLY 35 HA2 GLY 35 9.505 -24.079 33.323 2 H GLY 35 HN GLY 35 8.569 -26.162 33.401 3 HA2 GLY 35 HA1 GLY 35 10.925 -24.790 32.564 No H/Q in entry = 3 In of MODEL 14 1 HA VAL 36 HA VAL 36 8.247 -23.088 29.141 2 HB VAL 36 HB VAL 36 6.990 -24.459 27.549 3 H VAL 36 HN VAL 36 7.552 -24.824 31.429 No H/Q in entry = 3 In of MODEL 14 1 HA ILE 37 HA ILE 37 4.160 -21.472 29.865 2 HB ILE 37 HB ILE 37 5.200 -19.869 27.473 3 HD11 ILE 37 HD11 ILE 37 5.360 -17.209 28.995 4 HD13 ILE 37 HD12 ILE 37 6.739 -17.826 28.081 5 HD12 ILE 37 HD13 ILE 37 6.924 -17.412 29.781 6 H ILE 37 HN ILE 37 6.618 -21.845 28.320 No H/Q in entry = 6 In of MODEL 14 1 HA VAL 38 HA VAL 38 2.261 -23.797 26.544 2 HB VAL 38 HB VAL 38 0.744 -24.595 29.073 3 H VAL 38 HN VAL 38 2.483 -22.700 29.265 No H/Q in entry = 3 In of MODEL 14 1 HA PHE 39 HA PHE 39 -1.086 -20.866 26.100 2 HB2 PHE 39 HB2 PHE 39 0.163 -21.264 23.352 3 HD1 PHE 39 HD1 PHE 39 -0.380 -18.061 25.039 4 HD2 PHE 39 HD2 PHE 39 2.510 -21.066 24.097 5 HE1 PHE 39 HE1 PHE 39 1.425 -16.501 25.623 6 HE2 PHE 39 HE2 PHE 39 4.318 -19.501 24.683 7 HZ PHE 39 HZ PHE 39 3.769 -17.215 25.443 8 H PHE 39 HN PHE 39 0.990 -22.735 25.178 9 HB3 PHE 39 HB1 PHE 39 -1.012 -20.030 23.745 No H/Q in entry = 9 In of MODEL 14 1 HA ILE 40 HA ILE 40 -3.840 -24.203 24.743 2 HB ILE 40 HB ILE 40 -5.324 -22.745 26.978 3 HD12 ILE 40 HD11 ILE 40 -5.589 -25.471 28.679 4 HD11 ILE 40 HD12 ILE 40 -5.172 -23.889 29.344 5 HD13 ILE 40 HD13 ILE 40 -4.070 -25.248 29.545 6 H ILE 40 HN ILE 40 -2.926 -22.086 26.484 No H/Q in entry = 6 In of MODEL 14 1 HA LEU 41 HA LEU 41 -6.004 -21.279 22.186 2 HB2 LEU 41 HB2 LEU 41 -5.370 -23.762 20.559 3 HG LEU 41 HG LEU 41 -3.438 -22.252 21.035 4 HD12 LEU 41 HD11 LEU 41 -4.305 -22.138 18.129 5 HD11 LEU 41 HD12 LEU 41 -3.441 -23.467 18.903 6 HD13 LEU 41 HD13 LEU 41 -2.664 -21.895 18.738 7 HD21 LEU 41 HD21 LEU 41 -5.131 -20.138 19.672 8 HD23 LEU 41 HD22 LEU 41 -3.436 -19.969 20.124 9 HD22 LEU 41 HD23 LEU 41 -4.652 -20.177 21.373 10 H LEU 41 HN LEU 41 -4.972 -23.932 22.918 11 HB3 LEU 41 HB1 LEU 41 -6.246 -22.403 19.863 No H/Q in entry = 11 In of MODEL 14 1 HA ALA 42 HA ALA 42 -10.231 -22.238 22.306 2 HB2 ALA 42 HB1 ALA 42 -10.231 -19.929 21.467 3 HB3 ALA 42 HB2 ALA 42 -11.557 -20.852 20.758 4 HB1 ALA 42 HB3 ALA 42 -10.105 -20.516 19.807 5 H ALA 42 HN ALA 42 -7.976 -21.075 21.002 No H/Q in entry = 5 In of MODEL 14 1 HA ASN 43 HA ASN 43 -10.437 -24.994 18.515 2 HB2 ASN 43 HB2 ASN 43 -9.080 -25.339 16.606 3 HD21 ASN 43 HD21 ASN 43 -6.800 -22.952 17.852 4 HD22 ASN 43 HD22 ASN 43 -5.406 -23.942 17.656 5 H ASN 43 HN ASN 43 -8.370 -23.198 19.557 6 HB3 ASN 43 HB1 ASN 43 -8.860 -23.639 16.979 No H/Q in entry = 6 In of MODEL 14 1 HA ASP 44 HA ASP 44 -7.747 -26.615 22.526 2 HB2 ASP 44 HB2 ASP 44 -9.895 -27.845 22.124 3 H ASP 44 HN ASP 44 -8.711 -25.142 21.143 4 HB3 ASP 44 HB1 ASP 44 -9.119 -28.748 20.828 No H/Q in entry = 4 In of MODEL 14 1 HA ARG 45 HA ARG 45 -4.092 -27.878 20.566 2 HB2 ARG 45 HB2 ARG 45 -4.804 -26.829 18.373 3 HG2 ARG 45 HG2 ARG 45 -2.372 -27.739 18.801 4 HD2 ARG 45 HD2 ARG 45 -1.633 -24.896 18.089 5 HE ARG 45 HE ARG 45 0.120 -27.021 19.174 6 HH11 ARG 45 HH11 ARG 45 -0.600 -24.783 16.543 7 HH12 ARG 45 HH12 ARG 45 0.943 -25.005 15.783 8 HH21 ARG 45 HH21 ARG 45 2.133 -27.291 18.174 9 HH22 ARG 45 HH22 ARG 45 2.497 -26.417 16.718 10 H ARG 45 HN ARG 45 -5.982 -25.648 21.026 11 HB3 ARG 45 HB1 ARG 45 -4.154 -25.288 18.920 12 HG3 ARG 45 HG1 ARG 45 -2.742 -26.854 17.326 13 HD3 ARG 45 HD1 ARG 45 -1.591 -25.461 19.756 No H/Q in entry = 13 In of MODEL 14 1 HA GLU 46 HA GLU 46 -1.985 -25.202 23.400 2 HB2 GLU 46 HB2 GLU 46 -1.197 -28.083 24.011 3 HG2 GLU 46 HG2 GLU 46 -2.493 -27.746 26.091 4 H GLU 46 HN GLU 46 -2.367 -27.708 21.890 5 HB3 GLU 46 HB1 GLU 46 -0.621 -26.716 24.958 6 HG3 GLU 46 HG1 GLU 46 -2.941 -26.134 25.543 No H/Q in entry = 6 In of MODEL 14 1 HA LEU 47 HA LEU 47 1.883 -24.819 21.183 2 HB2 LEU 47 HB2 LEU 47 0.932 -22.124 22.184 3 HG LEU 47 HG LEU 47 -0.101 -23.016 20.029 4 HD13 LEU 47 HD11 LEU 47 -0.114 -20.616 20.484 5 HD12 LEU 47 HD12 LEU 47 0.154 -20.907 18.766 6 HD11 LEU 47 HD13 LEU 47 1.507 -20.448 19.809 7 HD21 LEU 47 HD21 LEU 47 1.916 -24.184 19.208 8 HD23 LEU 47 HD22 LEU 47 2.718 -22.630 18.960 9 HD22 LEU 47 HD23 LEU 47 1.285 -23.046 18.013 10 H LEU 47 HN LEU 47 -0.468 -23.918 22.604 11 HB3 LEU 47 HB1 LEU 47 2.509 -22.311 21.443 No H/Q in entry = 11 In of MODEL 14 1 HA LYS 48 HA LYS 48 4.409 -24.514 24.899 2 HB2 LYS 48 HB2 LYS 48 4.147 -26.865 24.070 3 HG2 LYS 48 HG2 LYS 48 6.898 -26.107 25.096 4 HD2 LYS 48 HD2 LYS 48 5.779 -28.867 24.563 5 HE2 LYS 48 HE2 LYS 48 7.821 -29.725 25.771 6 HZ3 LYS 48 HZ1 LYS 48 5.887 -28.280 27.508 7 HZ2 LYS 48 HZ2 LYS 48 6.812 -29.634 27.921 8 HZ1 LYS 48 HZ3 LYS 48 5.590 -29.769 26.769 9 H LYS 48 HN LYS 48 4.066 -24.459 21.964 10 HB3 LYS 48 HB1 LYS 48 5.497 -26.609 22.970 11 HG3 LYS 48 HG1 LYS 48 5.531 -26.764 26.002 12 HD3 LYS 48 HD1 LYS 48 7.306 -28.195 23.997 13 HE3 LYS 48 HE1 LYS 48 8.026 -28.103 26.439 No H/Q in entry = 13 In of MODEL 14 1 HA PHE 49 HA PHE 49 8.183 -22.576 23.622 2 HB2 PHE 49 HB2 PHE 49 6.265 -20.215 23.922 3 HD1 PHE 49 HD1 PHE 49 8.569 -20.806 21.103 4 HD2 PHE 49 HD2 PHE 49 4.519 -21.129 22.437 5 HE1 PHE 49 HE1 PHE 49 7.826 -21.140 18.781 6 HE2 PHE 49 HE2 PHE 49 3.790 -21.469 20.112 7 HZ PHE 49 HZ PHE 49 5.439 -21.476 18.284 8 H PHE 49 HN PHE 49 5.543 -22.641 24.959 9 HB3 PHE 49 HB1 PHE 49 7.930 -20.093 23.374 No H/Q in entry = 9 In of MODEL 14 1 HA ARG 50 HA ARG 50 9.401 -21.907 27.771 2 HB2 ARG 50 HB2 ARG 50 11.906 -21.534 26.087 3 HG2 ARG 50 HG2 ARG 50 12.659 -23.681 27.081 4 HD2 ARG 50 HD2 ARG 50 9.992 -23.981 25.665 5 HE ARG 50 HE ARG 50 11.380 -26.041 26.616 6 HH11 ARG 50 HH11 ARG 50 11.180 -24.874 23.303 7 HH12 ARG 50 HH12 ARG 50 11.381 -26.448 22.612 8 HH21 ARG 50 HH21 ARG 50 11.616 -28.096 25.692 9 HH22 ARG 50 HH22 ARG 50 11.640 -28.279 23.968 10 H ARG 50 HN ARG 50 9.835 -21.771 24.909 11 HB3 ARG 50 HB1 ARG 50 11.950 -21.510 27.840 12 HG3 ARG 50 HG1 ARG 50 11.087 -23.855 27.865 13 HD3 ARG 50 HD1 ARG 50 11.545 -23.718 24.867 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 51 HA PRO 51 9.347 -17.445 28.709 2 HB2 PRO 51 HB2 PRO 51 11.119 -17.415 30.895 3 HG2 PRO 51 HG2 PRO 51 11.664 -19.682 30.893 4 HD2 PRO 51 HD2 PRO 51 10.440 -21.258 29.680 5 HB3 PRO 51 HB1 PRO 51 9.383 -17.728 30.991 6 HG3 PRO 51 HG1 PRO 51 10.185 -19.739 31.874 7 HD3 PRO 51 HD1 PRO 51 8.878 -20.501 30.075 No H/Q in entry = 7 In of MODEL 14 1 HA ASP 52 HA ASP 52 13.987 -16.700 27.859 2 HB2 ASP 52 HB2 ASP 52 15.971 -18.142 27.927 3 H ASP 52 HN ASP 52 12.557 -19.046 28.785 4 HB3 ASP 52 HB1 ASP 52 15.036 -18.306 29.403 No H/Q in entry = 4 In of MODEL 14 1 HA ASP 53 HA ASP 53 13.420 -18.471 23.701 2 HB2 ASP 53 HB2 ASP 53 12.261 -20.575 24.270 3 H ASP 53 HN ASP 53 11.905 -18.446 26.220 4 HB3 ASP 53 HB1 ASP 53 10.742 -19.711 24.423 No H/Q in entry = 4 In of MODEL 14 1 HA LEU 54 HA LEU 54 9.556 -15.732 22.977 2 HB2 LEU 54 HB2 LEU 54 8.576 -15.807 25.854 3 HG LEU 54 HG LEU 54 8.253 -17.998 24.691 4 HD11 LEU 54 HD11 LEU 54 6.656 -17.242 26.391 5 HD13 LEU 54 HD12 LEU 54 5.877 -18.214 25.149 6 HD12 LEU 54 HD13 LEU 54 5.680 -16.457 25.145 7 HD21 LEU 54 HD21 LEU 54 6.685 -16.338 22.686 8 HD23 LEU 54 HD22 LEU 54 6.663 -18.100 22.779 9 HD22 LEU 54 HD23 LEU 54 8.160 -17.265 22.386 10 H LEU 54 HN LEU 54 10.456 -17.267 25.263 11 HB3 LEU 54 HB1 LEU 54 7.742 -14.999 24.530 No H/Q in entry = 11 In of MODEL 14 1 HA GLN 55 HA GLN 55 11.383 -11.896 23.929 2 HB2 GLN 55 HB2 GLN 55 10.487 -11.389 21.744 3 HG2 GLN 55 HG2 GLN 55 9.525 -9.121 23.517 4 HE21 GLN 55 HE21 GLN 55 8.667 -9.939 20.778 5 HE22 GLN 55 HE22 GLN 55 9.029 -8.583 19.782 6 H GLN 55 HN GLN 55 9.221 -13.483 22.945 7 HB3 GLN 55 HB1 GLN 55 8.864 -11.163 22.393 8 HG3 GLN 55 HG1 GLN 55 11.219 -9.381 23.111 No H/Q in entry = 8 In of MODEL 14 1 HA ALA 56 HA ALA 56 7.655 -9.939 26.503 2 HB2 ALA 56 HB1 ALA 56 5.720 -11.293 25.739 3 HB3 ALA 56 HB2 ALA 56 5.721 -11.154 27.501 4 HB1 ALA 56 HB3 ALA 56 6.259 -12.649 26.725 5 H ALA 56 HN ALA 56 7.902 -12.044 24.721 No H/Q in entry = 5 In of MODEL 14 1 HA THR 57 HA THR 57 9.106 -12.705 29.973 2 HB THR 57 HB THR 57 8.878 -15.208 30.046 3 HG1 THR 57 HG1 THR 57 9.667 -15.355 27.726 4 HG22 THR 57 HG21 THR 57 6.714 -13.820 28.445 5 HG21 THR 57 HG22 THR 57 6.889 -13.737 30.195 6 HG23 THR 57 HG23 THR 57 6.519 -15.277 29.424 7 H THR 57 HN THR 57 8.986 -13.108 27.047 No H/Q in entry = 7 In of MODEL 14 1 HA TYR 58 HA TYR 58 13.185 -14.239 28.007 2 HB2 TYR 58 HB2 TYR 58 12.720 -12.582 26.028 3 HD1 TYR 58 HD1 TYR 58 13.891 -15.075 25.921 4 HD2 TYR 58 HD2 TYR 58 15.958 -11.339 26.241 5 HE1 TYR 58 HE1 TYR 58 15.895 -16.082 24.911 6 HE2 TYR 58 HE2 TYR 58 17.949 -12.360 25.229 7 HH TYR 58 HH TYR 58 17.902 -15.347 23.665 8 H TYR 58 HN TYR 58 11.183 -12.218 27.716 9 HB3 TYR 58 HB1 TYR 58 13.701 -11.445 26.947 No H/Q in entry = 9 In of MODEL 14 1 HA3 GLY 59 HA2 GLY 59 14.972 -14.038 32.029 2 H GLY 59 HN GLY 59 13.605 -14.444 30.172 3 HA2 GLY 59 HA1 GLY 59 15.203 -12.376 31.510 No H/Q in entry = 3 In of MODEL 14 1 HA ALA 60 HA ALA 60 11.315 -12.250 34.069 2 HB3 ALA 60 HB1 ALA 60 8.995 -12.702 33.408 3 HB1 ALA 60 HB2 ALA 60 9.542 -13.835 32.167 4 HB2 ALA 60 HB3 ALA 60 9.929 -12.119 32.029 5 H ALA 60 HN ALA 60 12.118 -14.102 31.891 No H/Q in entry = 5 In of MODEL 14 1 HA THR 61 HA THR 61 10.983 -15.700 36.787 2 HB THR 61 HB THR 61 9.974 -14.915 38.969 3 HG1 THR 61 HG1 THR 61 9.707 -12.390 38.683 4 HG23 THR 61 HG21 THR 61 11.635 -13.207 39.496 5 HG22 THR 61 HG22 THR 61 11.963 -12.951 37.781 6 HG21 THR 61 HG23 THR 61 12.374 -14.491 38.538 7 H THR 61 HN THR 61 10.192 -13.054 35.871 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 62 HA PRO 62 7.174 -17.913 36.094 2 HB2 PRO 62 HB2 PRO 62 6.815 -19.279 38.515 3 HG2 PRO 62 HG2 PRO 62 8.530 -18.218 39.708 4 HD2 PRO 62 HD2 PRO 62 10.261 -17.052 38.641 5 HB3 PRO 62 HB1 PRO 62 7.900 -19.785 37.214 6 HG3 PRO 62 HG1 PRO 62 9.426 -19.566 38.976 7 HD3 PRO 62 HD1 PRO 62 10.338 -18.203 37.287 No H/Q in entry = 7 In of MODEL 14 1 HA GLU 63 HA GLU 63 4.491 -16.030 39.710 2 HB2 GLU 63 HB2 GLU 63 4.991 -13.906 41.042 3 HG2 GLU 63 HG2 GLU 63 7.257 -13.570 39.512 4 H GLU 63 HN GLU 63 7.268 -16.033 39.131 5 HB3 GLU 63 HB1 GLU 63 5.909 -15.331 41.488 6 HG3 GLU 63 HG1 GLU 63 6.973 -12.832 41.088 No H/Q in entry = 6 In of MODEL 14 1 HA GLN 64 HA GLN 64 4.457 -12.038 36.975 2 HB2 GLN 64 HB2 GLN 64 6.995 -12.895 35.518 3 HG2 GLN 64 HG2 GLN 64 6.522 -10.507 37.321 4 HE21 GLN 64 HE21 GLN 64 8.225 -9.090 37.565 5 HE22 GLN 64 HE22 GLN 64 9.597 -9.060 36.515 6 H GLN 64 HN GLN 64 6.450 -13.967 37.653 7 HB3 GLN 64 HB1 GLN 64 6.044 -11.466 35.110 8 HG3 GLN 64 HG1 GLN 64 7.439 -11.942 37.760 No H/Q in entry = 8 In of MODEL 14 1 HA LEU 65 HA LEU 65 3.525 -15.102 33.427 2 HB2 LEU 65 HB2 LEU 65 5.217 -17.447 34.440 3 HG LEU 65 HG LEU 65 6.871 -15.725 34.235 4 HD11 LEU 65 HD11 LEU 65 7.499 -17.834 33.217 5 HD13 LEU 65 HD12 LEU 65 8.241 -16.483 32.366 6 HD12 LEU 65 HD13 LEU 65 6.848 -17.310 31.660 7 HD21 LEU 65 HD21 LEU 65 5.547 -14.915 31.630 8 HD23 LEU 65 HD22 LEU 65 7.096 -14.295 32.217 9 HD22 LEU 65 HD23 LEU 65 5.627 -13.988 33.133 10 H LEU 65 HN LEU 65 5.139 -15.255 35.934 11 HB3 LEU 65 HB1 LEU 65 4.614 -17.166 32.810 No H/Q in entry = 11 In of MODEL 14 1 HA ARG 66 HA ARG 66 0.601 -17.329 36.029 2 HB2 ARG 66 HB2 ARG 66 1.577 -16.048 38.626 3 HG2 ARG 66 HG2 ARG 66 1.897 -18.878 37.587 4 HD2 ARG 66 HD2 ARG 66 3.011 -19.404 39.699 5 HE ARG 66 HE ARG 66 0.300 -18.328 40.224 6 HH11 ARG 66 HH11 ARG 66 2.489 -21.080 40.196 7 HH12 ARG 66 HH12 ARG 66 1.361 -22.120 41.004 8 HH21 ARG 66 HH21 ARG 66 -1.158 -19.698 41.240 9 HH22 ARG 66 HH22 ARG 66 -0.707 -21.331 41.601 10 H ARG 66 HN ARG 66 2.707 -15.286 36.446 11 HB3 ARG 66 HB1 ARG 66 0.249 -17.206 38.502 12 HG3 ARG 66 HG1 ARG 66 3.177 -17.720 37.906 13 HD3 ARG 66 HD1 ARG 66 2.689 -17.774 40.297 No H/Q in entry = 13 In of MODEL 14 1 HA GLU 67 HA GLU 67 -1.453 -13.185 36.644 2 HB2 GLU 67 HB2 GLU 67 0.907 -11.276 36.779 3 HG2 GLU 67 HG2 GLU 67 1.306 -12.857 38.592 4 H GLU 67 HN GLU 67 1.377 -13.961 36.578 5 HB3 GLU 67 HB1 GLU 67 -0.742 -11.008 37.332 6 HG3 GLU 67 HG1 GLU 67 0.804 -11.289 39.208 No H/Q in entry = 6 In of MODEL 14 1 HA ILE 68 HA ILE 68 -0.788 -12.393 32.301 2 HB ILE 68 HB ILE 68 -1.558 -15.337 32.593 3 HD13 ILE 68 HD11 ILE 68 0.456 -16.941 32.608 4 HD12 ILE 68 HD12 ILE 68 2.021 -16.332 32.078 5 HD11 ILE 68 HD13 ILE 68 0.704 -16.475 30.918 6 H ILE 68 HN ILE 68 -1.934 -13.857 34.603 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 69 HA GLU 69 -5.086 -12.486 30.922 2 HB2 GLU 69 HB2 GLU 69 -4.801 -10.176 31.882 3 HG2 GLU 69 HG2 GLU 69 -6.129 -10.052 29.161 4 H GLU 69 HN GLU 69 -2.247 -11.645 30.812 5 HB3 GLU 69 HB1 GLU 69 -4.031 -9.657 30.387 6 HG3 GLU 69 HG1 GLU 69 -6.899 -10.625 30.641 No H/Q in entry = 6 In of MODEL 14 1 HA ILE 70 HA ILE 70 -4.376 -12.983 26.523 2 HB ILE 70 HB ILE 70 -7.368 -12.342 26.504 3 HD12 ILE 70 HD11 ILE 70 -4.759 -14.980 27.228 4 HD11 ILE 70 HD12 ILE 70 -5.426 -15.542 25.692 5 HD13 ILE 70 HD13 ILE 70 -5.911 -16.314 27.200 6 H ILE 70 HN ILE 70 -6.134 -12.264 28.710 No H/Q in entry = 6 In of MODEL 14 1 HA SER 71 HA SER 71 -3.317 -9.129 24.787 2 HB2 SER 71 HB2 SER 71 -3.275 -9.056 22.274 3 HG SER 71 HG SER 71 -4.543 -11.602 22.437 4 H SER 71 HN SER 71 -4.194 -11.751 24.492 5 HB3 SER 71 HB1 SER 71 -2.587 -10.547 22.922 No H/Q in entry = 5 In of MODEL 14 1 HA PRO 72 HA PRO 72 -7.093 -6.609 24.382 2 HB2 PRO 72 HB2 PRO 72 -6.070 -4.280 23.381 3 HG2 PRO 72 HG2 PRO 72 -3.984 -5.122 22.653 4 HD2 PRO 72 HD2 PRO 72 -3.067 -7.072 23.551 5 HB3 PRO 72 HB1 PRO 72 -5.791 -4.799 25.052 6 HG3 PRO 72 HG1 PRO 72 -3.584 -4.516 24.276 7 HD3 PRO 72 HD1 PRO 72 -3.549 -6.660 25.211 No H/Q in entry = 7 In of MODEL 14 1 HA SER 73 HA SER 73 -7.269 -7.038 19.742 2 HB2 SER 73 HB2 SER 73 -4.505 -8.284 19.463 3 HG SER 73 HG SER 73 -3.876 -6.294 19.330 4 H SER 73 HN SER 73 -5.231 -7.720 21.759 5 HB3 SER 73 HB1 SER 73 -5.594 -7.918 18.121 No H/Q in entry = 5 In of MODEL 14 1 HA3 GLY 74 HA2 GLY 74 -7.867 -11.318 22.450 2 H GLY 74 HN GLY 74 -6.610 -9.476 21.949 3 HA2 GLY 74 HA1 GLY 74 -8.822 -11.043 21.015 No H/Q in entry = 3 In of MODEL 14 1 HA LEU 75 HA LEU 75 -5.998 -13.960 18.979 2 HB2 LEU 75 HB2 LEU 75 -4.057 -11.717 18.379 3 HG LEU 75 HG LEU 75 -6.201 -11.771 17.061 4 HD11 LEU 75 HD11 LEU 75 -3.665 -12.281 15.471 5 HD13 LEU 75 HD12 LEU 75 -4.197 -10.728 16.118 6 HD12 LEU 75 HD13 LEU 75 -5.137 -11.520 14.856 7 HD21 LEU 75 HD21 LEU 75 -5.100 -14.421 16.055 8 HD23 LEU 75 HD22 LEU 75 -6.503 -13.569 15.406 9 HD22 LEU 75 HD23 LEU 75 -6.544 -14.199 17.048 10 H LEU 75 HN LEU 75 -5.765 -11.204 19.856 11 HB3 LEU 75 HB1 LEU 75 -3.727 -13.357 17.840 No H/Q in entry = 11 In of MODEL 14 1 HA3 GLY 76 HA2 GLY 76 -2.043 -14.615 21.322 2 H GLY 76 HN GLY 76 -3.215 -12.152 20.297 3 HA2 GLY 76 HA1 GLY 76 -1.280 -13.035 21.208 No H/Q in entry = 3 In of MODEL 14 1 HA VAL 77 HA VAL 77 -2.549 -12.769 25.424 2 HB VAL 77 HB VAL 77 -0.680 -14.669 25.167 3 H VAL 77 HN VAL 77 -0.663 -12.498 23.171 No H/Q in entry = 3 In of MODEL 14 1 HA TYR 78 HA TYR 78 0.002 -9.286 26.753 2 HB2 TYR 78 HB2 TYR 78 -2.230 -8.290 26.108 3 HD1 TYR 78 HD1 TYR 78 -2.568 -7.045 29.461 4 HD2 TYR 78 HD2 TYR 78 -0.155 -6.732 25.945 5 HE1 TYR 78 HE1 TYR 78 -1.708 -4.882 30.249 6 HE2 TYR 78 HE2 TYR 78 0.706 -4.573 26.724 7 HH TYR 78 HH TYR 78 0.168 -3.401 29.922 8 H TYR 78 HN TYR 78 -2.161 -11.255 27.111 9 HB3 TYR 78 HB1 TYR 78 -2.835 -8.660 27.719 No H/Q in entry = 9 In of MODEL 14 1 HA PHE 79 HA PHE 79 0.559 -11.080 30.830 2 HB2 PHE 79 HB2 PHE 79 3.302 -10.360 29.702 3 HD1 PHE 79 HD1 PHE 79 0.691 -12.823 29.906 4 HD2 PHE 79 HD2 PHE 79 4.726 -12.319 29.239 5 HE1 PHE 79 HE1 PHE 79 0.802 -15.034 28.874 6 HE2 PHE 79 HE2 PHE 79 4.817 -14.529 28.214 7 HZ PHE 79 HZ PHE 79 2.873 -15.905 28.026 8 H PHE 79 HN PHE 79 1.320 -10.234 28.213 9 HB3 PHE 79 HB1 PHE 79 3.035 -11.098 31.279 No H/Q in entry = 9 In of MODEL 14 1 HA GLU 80 HA GLU 80 -0.094 -6.972 32.035 2 HB2 GLU 80 HB2 GLU 80 -2.012 -8.217 32.958 3 HG2 GLU 80 HG2 GLU 80 -0.985 -6.401 35.151 4 H GLU 80 HN GLU 80 0.009 -9.815 32.436 5 HB3 GLU 80 HB1 GLU 80 -1.061 -8.674 34.366 6 HG3 GLU 80 HG1 GLU 80 -1.668 -5.796 33.646 No H/Q in entry = 6 In of MODEL 14 1 HA THR 81 HA THR 81 2.850 -7.182 35.878 2 HB THR 81 HB THR 81 4.184 -9.841 35.237 3 HG1 THR 81 HG1 THR 81 2.453 -10.828 35.899 4 HG21 THR 81 HG21 THR 81 5.340 -8.328 36.835 5 HG23 THR 81 HG22 THR 81 4.769 -9.794 37.630 6 HG22 THR 81 HG23 THR 81 3.886 -8.281 37.838 7 H THR 81 HN THR 81 1.656 -9.146 34.214 No H/Q in entry = 7 In of MODEL 14 1 HA LEU 82 HA LEU 82 6.307 -7.161 32.655 2 HB2 LEU 82 HB2 LEU 82 5.020 -8.798 30.437 3 HG LEU 82 HG LEU 82 5.021 -10.367 32.294 4 HD11 LEU 82 HD11 LEU 82 5.807 -11.196 30.102 5 HD13 LEU 82 HD12 LEU 82 6.469 -12.098 31.461 6 HD12 LEU 82 HD13 LEU 82 7.476 -10.923 30.611 7 HD23 LEU 82 HD21 LEU 82 7.034 -10.906 33.576 8 HD22 LEU 82 HD22 LEU 82 6.509 -9.252 33.841 9 HD21 LEU 82 HD23 LEU 82 7.901 -9.576 32.801 10 H LEU 82 HN LEU 82 3.671 -8.462 32.726 11 HB3 LEU 82 HB1 LEU 82 6.728 -8.437 30.665 No H/Q in entry = 11 In of MODEL 14 1 HA GLU 83 HA GLU 83 1.895 -5.204 30.454 2 HB2 GLU 83 HB2 GLU 83 4.393 -3.462 30.644 3 HG2 GLU 83 HG2 GLU 83 1.834 -3.397 32.268 4 H GLU 83 HN GLU 83 3.075 -6.544 31.838 5 HB3 GLU 83 HB1 GLU 83 2.818 -2.915 30.064 6 HG3 GLU 83 HG1 GLU 83 3.401 -3.950 32.857 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 84 HA GLU 84 4.131 -6.175 26.567 2 HB2 GLU 84 HB2 GLU 84 6.073 -6.890 28.063 3 HG2 GLU 84 HG2 GLU 84 7.339 -8.146 26.429 4 H GLU 84 HN GLU 84 3.298 -7.314 29.177 5 HB3 GLU 84 HB1 GLU 84 5.473 -8.534 27.972 6 HG3 GLU 84 HG1 GLU 84 5.863 -8.604 25.584 No H/Q in entry = 6 In of MODEL 14 1 HA ASP 85 HA ASP 85 1.574 -9.443 25.019 2 HB2 ASP 85 HB2 ASP 85 0.848 -7.577 23.726 3 H ASP 85 HN ASP 85 3.821 -7.537 24.761 4 HB3 ASP 85 HB1 ASP 85 2.391 -7.421 22.905 No H/Q in entry = 4 In of MODEL 14 1 HA VAL 86 HA VAL 86 4.049 -12.076 22.334 2 HB VAL 86 HB VAL 86 2.434 -14.174 23.906 3 H VAL 86 HN VAL 86 1.714 -11.484 24.090 No H/Q in entry = 3 In of MODEL 14 1 HA SER 87 HA SER 87 0.639 -11.895 19.468 2 HB2 SER 87 HB2 SER 87 3.186 -12.039 17.796 3 HG SER 87 HG SER 87 2.304 -10.100 19.303 4 H SER 87 HN SER 87 3.328 -11.794 20.320 5 HB3 SER 87 HB1 SER 87 1.571 -11.665 17.180 No H/Q in entry = 5 In of MODEL 14 1 HA LEU 88 HA LEU 88 0.188 -16.307 19.389 2 HB2 LEU 88 HB2 LEU 88 -2.143 -15.391 19.721 3 HG LEU 88 HG LEU 88 -1.929 -17.812 17.897 4 HD11 LEU 88 HD11 LEU 88 -0.753 -18.019 20.043 5 HD13 LEU 88 HD12 LEU 88 -2.149 -19.084 19.974 6 HD12 LEU 88 HD13 LEU 88 -2.232 -17.587 20.910 7 HD22 LEU 88 HD21 LEU 88 -4.217 -18.390 18.577 8 HD21 LEU 88 HD22 LEU 88 -4.199 -16.842 17.736 9 HD23 LEU 88 HD23 LEU 88 -4.351 -16.888 19.495 10 H LEU 88 HN LEU 88 -0.609 -13.641 19.186 11 HB3 LEU 88 HB1 LEU 88 -2.309 -15.297 17.981 No H/Q in entry = 11 In of MODEL 14 1 HA ILE 89 HA ILE 89 -0.449 -16.505 14.616 2 HB ILE 89 HB ILE 89 -0.181 -13.495 14.166 3 HD11 ILE 89 HD11 ILE 89 -2.974 -15.880 13.101 4 HD13 ILE 89 HD12 ILE 89 -4.055 -15.328 14.379 5 HD12 ILE 89 HD13 ILE 89 -2.664 -16.332 14.783 6 H ILE 89 HN ILE 89 -0.683 -14.439 16.522 No H/Q in entry = 6 In of MODEL 14 1 HA3 GLY 90 HA2 GLY 90 4.099 -14.625 14.375 2 H GLY 90 HN GLY 90 1.812 -14.119 15.888 3 HA2 GLY 90 HA1 GLY 90 4.085 -14.121 16.067 No H/Q in entry = 3 In of MODEL 14 1 HA LEU 91 HA LEU 91 4.997 -18.174 17.587 2 HB2 LEU 91 HB2 LEU 91 2.082 -18.416 18.432 3 HG LEU 91 HG LEU 91 3.114 -16.509 19.581 4 HD12 LEU 91 HD11 LEU 91 2.813 -18.913 21.410 5 HD11 LEU 91 HD12 LEU 91 1.517 -17.862 20.831 6 HD13 LEU 91 HD13 LEU 91 2.756 -17.218 21.904 7 HD21 LEU 91 HD21 LEU 91 5.286 -18.452 20.440 8 HD23 LEU 91 HD22 LEU 91 5.082 -16.807 21.048 9 HD22 LEU 91 HD23 LEU 91 5.469 -17.070 19.353 10 H LEU 91 HN LEU 91 2.839 -16.343 17.260 11 HB3 LEU 91 HB1 LEU 91 3.367 -19.482 18.983 No H/Q in entry = 11 In of MODEL 14 1 HA LEU 92 HA LEU 92 2.169 -20.958 14.819 2 HB2 LEU 92 HB2 LEU 92 0.573 -18.594 13.767 3 HG LEU 92 HG LEU 92 -0.065 -19.165 16.129 4 HD12 LEU 92 HD11 LEU 92 -2.183 -19.813 14.055 5 HD11 LEU 92 HD12 LEU 92 -1.724 -18.205 14.624 6 HD13 LEU 92 HD13 LEU 92 -2.479 -19.346 15.734 7 HD21 LEU 92 HD21 LEU 92 0.521 -21.552 16.124 8 HD23 LEU 92 HD22 LEU 92 -0.795 -21.890 14.996 9 HD22 LEU 92 HD23 LEU 92 -1.154 -21.312 16.624 10 H LEU 92 HN LEU 92 1.986 -18.262 15.768 11 HB3 LEU 92 HB1 LEU 92 0.310 -20.272 13.309 No H/Q in entry = 11 In of MODEL 14 1 HA GLU 93 HA GLU 93 4.604 -19.040 11.290 2 HB2 GLU 93 HB2 GLU 93 4.885 -16.301 12.609 3 HG2 GLU 93 HG2 GLU 93 3.306 -17.075 10.139 4 H GLU 93 HN GLU 93 3.677 -18.006 13.896 5 HB3 GLU 93 HB1 GLU 93 5.548 -16.713 11.031 6 HG3 GLU 93 HG1 GLU 93 2.597 -16.790 11.725 No H/Q in entry = 6 In of MODEL 14 1 HA3 GLY 94 HA2 GLY 94 7.512 -20.011 15.429 2 H GLY 94 HN GLY 94 5.582 -19.063 14.529 3 HA2 GLY 94 HA1 GLY 94 8.285 -19.958 13.856 No H/Q in entry = 3 In of MODEL 14 1 HA ARG 95 HA ARG 95 9.441 -15.799 15.519 2 HB2 ARG 95 HB2 ARG 95 6.941 -14.629 14.266 3 HG2 ARG 95 HG2 ARG 95 8.495 -13.536 12.708 4 HD2 ARG 95 HD2 ARG 95 9.191 -16.489 12.857 5 HE ARG 95 HE ARG 95 9.926 -14.561 10.963 6 HH11 ARG 95 HH11 ARG 95 8.535 -17.789 11.000 7 HH12 ARG 95 HH12 ARG 95 9.104 -18.175 9.412 8 HH21 ARG 95 HH21 ARG 95 10.644 -15.076 8.887 9 HH22 ARG 95 HH22 ARG 95 10.308 -16.639 8.217 10 H ARG 95 HN ARG 95 6.942 -16.978 14.554 11 HB3 ARG 95 HB1 ARG 95 8.091 -13.605 15.113 12 HG3 ARG 95 HG1 ARG 95 9.868 -14.247 13.553 13 HD3 ARG 95 HD1 ARG 95 7.719 -15.848 12.117 No H/Q in entry = 13 In of MODEL 14 1 HA ARG 96 HA ARG 96 7.367 -16.160 19.595 2 HB2 ARG 96 HB2 ARG 96 9.267 -16.550 21.179 3 HG2 ARG 96 HG2 ARG 96 10.927 -15.826 18.868 4 HD2 ARG 96 HD2 ARG 96 12.704 -17.492 19.341 5 HE ARG 96 HE ARG 96 11.235 -17.883 17.385 6 HH11 ARG 96 HH11 ARG 96 10.928 -20.113 20.089 7 HH12 ARG 96 HH12 ARG 96 10.442 -21.436 19.081 8 HH21 ARG 96 HH21 ARG 96 10.626 -19.662 16.094 9 HH22 ARG 96 HH22 ARG 96 10.278 -21.182 16.846 10 H ARG 96 HN ARG 96 9.308 -16.652 17.620 11 HB3 ARG 96 HB1 ARG 96 9.154 -17.759 19.909 12 HG3 ARG 96 HG1 ARG 96 11.362 -15.939 20.573 13 HD3 ARG 96 HD1 ARG 96 11.553 -18.425 20.291 No H/Q in entry = 13 In of MODEL 14 1 HA3 GLY 97 HA2 GLY 97 8.688 -11.755 19.272 2 H GLY 97 HN GLY 97 10.066 -14.240 18.450 3 HA2 GLY 97 HA1 GLY 97 10.439 -11.929 19.487 No H/Q in entry = 3 In of MODEL 14 1 HA SER 98 HA SER 98 9.436 -10.473 15.164 2 HB2 SER 98 HB2 SER 98 10.458 -8.221 14.753 3 HG SER 98 HG SER 98 11.084 -7.060 16.693 4 H SER 98 HN SER 98 9.968 -9.928 17.894 5 HB3 SER 98 HB1 SER 98 9.262 -8.191 16.048 No H/Q in entry = 5 In of MODEL 14 1 HA ALA 99 HA ALA 99 13.173 -12.171 13.523 2 HB2 ALA 99 HB1 ALA 99 13.727 -11.413 11.228 3 HB3 ALA 99 HB2 ALA 99 12.651 -10.027 11.424 4 HB1 ALA 99 HB3 ALA 99 11.988 -11.661 11.411 5 H ALA 99 HN ALA 99 11.001 -10.384 13.361 No H/Q in entry = 5 In of MODEL 14 1 HA LYS 100 HA LYS 100 15.744 -8.028 13.775 2 HB2 LYS 100 HB2 LYS 100 13.504 -6.530 13.559 3 HG2 LYS 100 HG2 LYS 100 15.702 -5.583 13.064 4 HD2 LYS 100 HD2 LYS 100 15.978 -5.112 16.053 5 HE2 LYS 100 HE2 LYS 100 18.153 -4.117 15.527 6 HZ2 LYS 100 HZ1 LYS 100 17.403 -2.060 14.635 7 HZ1 LYS 100 HZ2 LYS 100 16.179 -2.671 15.628 8 HZ3 LYS 100 HZ3 LYS 100 16.034 -2.776 13.945 9 H LYS 100 HN LYS 100 12.996 -8.671 13.727 10 HB3 LYS 100 HB1 LYS 100 13.757 -6.317 15.283 11 HG3 LYS 100 HG1 LYS 100 14.721 -4.456 14.003 12 HD3 LYS 100 HD1 LYS 100 16.961 -6.217 15.089 13 HE3 LYS 100 HE1 LYS 100 17.846 -4.313 13.800 No H/Q in entry = 13 In of MODEL 14 1 HA TRP 101 HA TRP 101 14.996 -8.212 18.619 2 HB2 TRP 101 HB2 TRP 101 12.566 -8.445 18.869 3 HD1 TRP 101 HD1 TRP 101 13.624 -7.917 21.353 4 HE1 TRP 101 HE1 TRP 101 13.857 -9.429 23.405 5 HE3 TRP 101 HE3 TRP 101 13.023 -12.476 19.122 6 HZ2 TRP 101 HZ2 TRP 101 13.859 -12.169 24.015 7 HZ3 TRP 101 HZ3 TRP 101 13.168 -14.503 20.509 8 HH2 TRP 101 HH2 TRP 101 13.580 -14.354 22.916 9 H TRP 101 HN TRP 101 13.373 -8.675 16.374 10 HB3 TRP 101 HB1 TRP 101 12.625 -10.122 18.330 No H/Q in entry = 10 In of MODEL 14 1 HA MET 102 HA MET 102 15.988 -12.932 18.483 2 HB2 MET 102 HB2 MET 102 14.940 -13.280 15.644 3 HG2 MET 102 HG2 MET 102 14.102 -14.595 18.239 4 HE1 MET 102 HE1 MET 102 13.346 -14.198 14.338 5 HE3 MET 102 HE2 MET 102 11.810 -13.842 15.132 6 HE2 MET 102 HE3 MET 102 11.994 -15.319 14.184 7 H MET 102 HN MET 102 14.354 -11.261 16.875 8 HB3 MET 102 HB1 MET 102 15.842 -14.535 16.485 9 HG3 MET 102 HG1 MET 102 13.185 -13.369 17.368 No H/Q in entry = 9 In of MODEL 14 1 HA ALA 103 HA ALA 103 19.256 -11.883 15.081 2 HB3 ALA 103 HB1 ALA 103 17.861 -10.551 13.536 3 HB2 ALA 103 HB2 ALA 103 19.474 -9.861 13.720 4 HB1 ALA 103 HB3 ALA 103 18.098 -9.125 14.553 5 H ALA 103 HN ALA 103 16.694 -10.825 15.789 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 104 HA GLU 104 20.973 -8.464 17.842 2 HB2 GLU 104 HB2 GLU 104 19.929 -6.615 19.163 3 HG2 GLU 104 HG2 GLU 104 17.281 -7.500 17.995 4 H GLU 104 HN GLU 104 18.202 -9.240 17.232 5 HB3 GLU 104 HB1 GLU 104 19.454 -6.617 17.469 6 HG3 GLU 104 HG1 GLU 104 17.739 -7.796 19.668 No H/Q in entry = 6 In of MODEL 14 1 HA HIS 105 HA HIS 105 19.983 -10.712 21.716 2 HB2 HIS 105 HB2 HIS 105 16.944 -10.858 21.435 3 HD1 HIS 105 HD1 HIS 105 19.448 -9.025 23.634 4 HD2 HIS 105 HD2 HIS 105 16.017 -8.318 21.415 5 HE1 HIS 105 HE1 HIS 105 18.930 -6.592 23.949 6 HE2 HIS 105 HE2 HIS 105 17.035 -6.150 22.369 7 H HIS 105 HN HIS 105 18.408 -10.315 19.235 8 HB3 HIS 105 HB1 HIS 105 17.856 -11.209 22.903 No H/Q in entry = 8 In of MODEL 14 1 HA PRO 106 HA PRO 106 20.284 -14.549 19.184 2 HB2 PRO 106 HB2 PRO 106 22.270 -15.657 20.864 3 HG2 PRO 106 HG2 PRO 106 22.442 -13.827 22.318 4 HD2 PRO 106 HD2 PRO 106 21.626 -11.680 21.722 5 HB3 PRO 106 HB1 PRO 106 22.546 -14.673 19.425 6 HG3 PRO 106 HG1 PRO 106 23.597 -13.346 21.053 7 HD3 PRO 106 HD1 PRO 106 22.036 -11.901 20.004 No H/Q in entry = 7 In of MODEL 14 1 HA LEU 107 HA LEU 107 18.010 -17.179 21.920 2 HB2 LEU 107 HB2 LEU 107 16.570 -16.665 19.863 3 HG LEU 107 HG LEU 107 16.423 -19.460 21.039 4 HD11 LEU 107 HD11 LEU 107 15.973 -17.648 22.615 5 HD13 LEU 107 HD12 LEU 107 14.521 -18.589 22.289 6 HD12 LEU 107 HD13 LEU 107 14.723 -17.004 21.543 7 HD22 LEU 107 HD21 LEU 107 15.426 -19.623 18.840 8 HD21 LEU 107 HD22 LEU 107 14.431 -18.196 19.145 9 HD23 LEU 107 HD23 LEU 107 14.166 -19.672 20.080 10 H LEU 107 HN LEU 107 19.217 -16.327 19.363 11 HB3 LEU 107 HB1 LEU 107 17.315 -18.048 19.080 No H/Q in entry = 11 In of MODEL 14 1 HA ALA 108 HA ALA 108 20.319 -21.007 21.835 2 HB1 ALA 108 HB1 ALA 108 19.145 -22.933 22.844 3 HB3 ALA 108 HB2 ALA 108 17.609 -22.071 22.721 4 HB2 ALA 108 HB3 ALA 108 18.879 -21.464 23.784 5 H ALA 108 HN ALA 108 17.885 -19.593 22.282 No H/Q in entry = 5 In of MODEL 14 1 HA SER 109 HA SER 109 19.239 -22.902 17.970 2 HB2 SER 109 HB2 SER 109 18.173 -20.674 17.480 3 HG SER 109 HG SER 109 18.654 -22.298 15.744 4 H SER 109 HN SER 109 20.660 -20.922 19.604 5 HB3 SER 109 HB1 SER 109 19.756 -20.027 17.045 No H/Q in entry = 5 In of MODEL 15 1 H1 MET 1 HT3 MET 1 -2.740 -8.770 -0.295 2 H2 MET 1 HT2 MET 1 -3.802 -9.053 0.989 3 H3 MET 1 HT1 MET 1 -3.339 -10.328 -0.024 4 HB3 MET 1 HB1 MET 1 -6.184 -9.648 0.571 5 HG3 MET 1 HG1 MET 1 -7.530 -8.577 -1.130 6 HA MET 1 HA MET 1 -4.421 -9.313 -1.888 7 HB2 MET 1 HB2 MET 1 -5.699 -10.913 -0.554 8 HG2 MET 1 HG2 MET 1 -7.975 -10.282 -1.015 9 HE3 MET 1 HE1 MET 1 -8.372 -9.238 -4.858 10 HE2 MET 1 HE2 MET 1 -8.554 -8.141 -3.490 11 HE1 MET 1 HE3 MET 1 -9.247 -9.762 -3.420 No H/Q in entry = 11 In of MODEL 15 1 HA GLU 2 HA GLU 2 -6.038 -5.151 -0.412 2 HB2 GLU 2 HB2 GLU 2 -6.213 -5.776 2.574 3 HG2 GLU 2 HG2 GLU 2 -7.783 -7.203 1.400 4 H GLU 2 HN GLU 2 -5.283 -7.546 1.097 5 HB3 GLU 2 HB1 GLU 2 -6.865 -4.334 1.793 6 HG3 GLU 2 HG1 GLU 2 -8.655 -5.914 2.228 No H/Q in entry = 6 In of MODEL 15 1 HA VAL 3 HA VAL 3 -2.341 -3.075 0.691 2 HB VAL 3 HB VAL 3 -2.368 -0.651 0.402 3 H VAL 3 HN VAL 3 -5.244 -3.004 0.467 No H/Q in entry = 3 In of MODEL 15 1 HA SER 4 HA SER 4 -2.407 -2.435 5.054 2 HB2 SER 4 HB2 SER 4 0.552 -2.500 4.301 3 HG SER 4 HG SER 4 -1.008 -4.385 3.867 4 H SER 4 HN SER 4 -1.127 -2.489 2.435 5 HB3 SER 4 HB1 SER 4 -0.103 -2.701 5.930 No H/Q in entry = 5 In of MODEL 15 1 HA ALA 5 HA ALA 5 -1.625 1.984 4.950 2 HB3 ALA 5 HB1 ALA 5 -3.405 3.353 3.941 3 HB1 ALA 5 HB2 ALA 5 -4.427 1.924 3.753 4 HB2 ALA 5 HB3 ALA 5 -2.920 2.057 2.847 5 H ALA 5 HN ALA 5 -3.408 -0.348 4.541 No H/Q in entry = 5 In of MODEL 15 1 HA ASN 6 HA ASN 6 -3.194 2.523 9.000 2 HB2 ASN 6 HB2 ASN 6 -2.570 5.385 8.143 3 HD21 ASN 6 HD21 ASN 6 -0.751 5.650 10.339 4 HD22 ASN 6 HD22 ASN 6 0.697 4.837 9.885 5 H ASN 6 HN ASN 6 -2.077 3.437 6.581 6 HB3 ASN 6 HB1 ASN 6 -2.809 4.853 9.805 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 7 HA GLU 7 -6.950 5.315 7.706 2 HB2 GLU 7 HB2 GLU 7 -7.618 5.939 5.340 3 HG2 GLU 7 HG2 GLU 7 -4.761 5.195 4.643 4 H GLU 7 HN GLU 7 -4.460 4.675 6.508 5 HB3 GLU 7 HB1 GLU 7 -6.162 6.721 5.940 6 HG3 GLU 7 HG1 GLU 7 -6.185 4.308 4.100 No H/Q in entry = 6 In of MODEL 15 1 HA LEU 8 HA LEU 8 -8.528 1.505 5.283 2 HB2 LEU 8 HB2 LEU 8 -5.744 0.702 4.499 3 HG LEU 8 HG LEU 8 -6.735 0.159 2.321 4 HD13 LEU 8 HD11 LEU 8 -9.081 0.540 1.812 5 HD12 LEU 8 HD12 LEU 8 -9.410 0.956 3.496 6 HD11 LEU 8 HD13 LEU 8 -8.892 -0.680 3.071 7 HD23 LEU 8 HD21 LEU 8 -7.595 2.914 3.264 8 HD22 LEU 8 HD22 LEU 8 -7.391 2.401 1.584 9 HD21 LEU 8 HD23 LEU 8 -5.999 2.460 2.660 10 H LEU 8 HN LEU 8 -5.907 2.647 5.604 11 HB3 LEU 8 HB1 LEU 8 -6.918 -0.588 4.623 No H/Q in entry = 11 In of MODEL 15 1 HA GLU 9 HA GLU 9 -6.168 0.497 9.866 2 HB2 GLU 9 HB2 GLU 9 -8.209 0.028 11.134 3 HG2 GLU 9 HG2 GLU 9 -9.734 0.226 8.525 4 H GLU 9 HN GLU 9 -6.493 1.622 7.928 5 HB3 GLU 9 HB1 GLU 9 -8.414 1.502 10.197 6 HG3 GLU 9 HG1 GLU 9 -9.552 -1.225 9.505 No H/Q in entry = 6 In of MODEL 15 1 HA ALA 10 HA ALA 10 -6.823 -3.434 7.289 2 HB2 ALA 10 HB1 ALA 10 -3.928 -2.785 6.674 3 HB1 ALA 10 HB2 ALA 10 -5.318 -2.383 5.665 4 HB3 ALA 10 HB3 ALA 10 -4.884 -4.072 5.934 5 H ALA 10 HN ALA 10 -5.405 -1.057 7.758 No H/Q in entry = 5 In of MODEL 15 1 HA ALA 11 HA ALA 11 -3.411 -5.349 10.207 2 HB3 ALA 11 HB1 ALA 11 -2.325 -4.347 12.174 3 HB1 ALA 11 HB2 ALA 11 -3.190 -2.832 11.893 4 HB2 ALA 11 HB3 ALA 11 -2.001 -3.402 10.720 5 H ALA 11 HN ALA 11 -4.137 -2.718 9.493 No H/Q in entry = 5 In of MODEL 15 1 HA SER 12 HA SER 12 -6.612 -4.726 13.828 2 HB2 SER 12 HB2 SER 12 -7.075 -2.294 13.704 3 HG SER 12 HG SER 12 -9.636 -3.433 13.613 4 H SER 12 HN SER 12 -5.777 -3.114 11.645 5 HB3 SER 12 HB1 SER 12 -8.140 -2.553 12.322 No H/Q in entry = 5 In of MODEL 15 1 HA SER 13 HA SER 13 -10.132 -6.023 10.726 2 HB2 SER 13 HB2 SER 13 -8.545 -5.181 8.262 3 HG SER 13 HG SER 13 -9.937 -3.459 8.202 4 H SER 13 HN SER 13 -7.922 -4.279 10.549 5 HB3 SER 13 HB1 SER 13 -10.180 -5.856 8.256 No H/Q in entry = 5 In of MODEL 15 1 HA ARG 14 HA ARG 14 -6.843 -9.242 8.978 2 HB2 ARG 14 HB2 ARG 14 -4.665 -7.545 10.233 3 HG2 ARG 14 HG2 ARG 14 -5.097 -7.255 7.789 4 HD2 ARG 14 HD2 ARG 14 -4.211 -10.159 7.682 5 HE ARG 14 HE ARG 14 -4.673 -8.722 5.209 6 HH11 ARG 14 HH11 ARG 14 -2.218 -9.784 7.486 7 HH12 ARG 14 HH12 ARG 14 -0.951 -9.757 6.308 8 HH21 ARG 14 HH21 ARG 14 -2.986 -8.705 3.685 9 HH22 ARG 14 HH22 ARG 14 -1.383 -9.146 4.175 10 H ARG 14 HN ARG 14 -6.768 -6.554 9.793 11 HB3 ARG 14 HB1 ARG 14 -4.389 -9.257 9.953 12 HG3 ARG 14 HG1 ARG 14 -3.461 -7.790 8.182 13 HD3 ARG 14 HD1 ARG 14 -5.737 -9.484 7.099 No H/Q in entry = 13 In of MODEL 15 1 HA MET 15 HA MET 15 -5.651 -10.110 13.619 2 HB2 MET 15 HB2 MET 15 -7.013 -7.572 14.617 3 HG2 MET 15 HG2 MET 15 -4.860 -6.896 13.977 4 HE3 MET 15 HE1 MET 15 -1.215 -8.560 14.697 5 HE2 MET 15 HE2 MET 15 -2.154 -7.754 15.951 6 HE1 MET 15 HE3 MET 15 -2.007 -7.024 14.346 7 H MET 15 HN MET 15 -6.269 -7.810 12.193 8 HB3 MET 15 HB1 MET 15 -6.399 -8.841 15.675 9 HG3 MET 15 HG1 MET 15 -4.706 -7.239 15.698 No H/Q in entry = 9 In of MODEL 15 1 HA GLU 16 HA GLU 16 -10.405 -10.388 14.678 2 HB2 GLU 16 HB2 GLU 16 -11.275 -8.212 14.029 3 HG2 GLU 16 HG2 GLU 16 -13.460 -8.657 13.105 4 H GLU 16 HN GLU 16 -8.841 -8.580 13.185 5 HB3 GLU 16 HB1 GLU 16 -11.113 -8.596 12.323 6 HG3 GLU 16 HG1 GLU 16 -12.911 -10.188 12.427 No H/Q in entry = 6 In of MODEL 15 1 HA MET 17 HA MET 17 -11.109 -12.646 10.446 2 HB2 MET 17 HB2 MET 17 -8.699 -11.332 9.124 3 HG2 MET 17 HG2 MET 17 -11.655 -11.208 8.467 4 HE3 MET 17 HE1 MET 17 -8.277 -9.421 5.842 5 HE2 MET 17 HE2 MET 17 -7.938 -10.452 7.230 6 HE1 MET 17 HE3 MET 17 -8.630 -8.847 7.474 7 H MET 17 HN MET 17 -9.654 -10.335 11.179 8 HB3 MET 17 HB1 MET 17 -9.601 -12.658 8.400 9 HG3 MET 17 HG1 MET 17 -10.631 -9.876 9.007 No H/Q in entry = 9 In of MODEL 15 1 HA LEU 18 HA LEU 18 -6.995 -14.946 11.235 2 HB2 LEU 18 HB2 LEU 18 -5.762 -12.726 12.901 3 HG LEU 18 HG LEU 18 -5.717 -12.186 10.481 4 HD13 LEU 18 HD11 LEU 18 -3.308 -11.806 10.244 5 HD12 LEU 18 HD12 LEU 18 -2.992 -12.915 11.584 6 HD11 LEU 18 HD13 LEU 18 -3.881 -11.414 11.866 7 HD22 LEU 18 HD21 LEU 18 -4.471 -13.582 8.883 8 HD21 LEU 18 HD22 LEU 18 -5.855 -14.442 9.550 9 HD23 LEU 18 HD23 LEU 18 -4.230 -14.807 10.130 10 H LEU 18 HN LEU 18 -7.885 -12.253 11.792 11 HB3 LEU 18 HB1 LEU 18 -4.981 -14.269 12.576 No H/Q in entry = 11 In of MODEL 15 1 HA GLN 19 HA GLN 19 -8.207 -15.067 15.994 2 HB2 GLN 19 HB2 GLN 19 -10.383 -13.053 15.321 3 HG2 GLN 19 HG2 GLN 19 -8.494 -13.036 17.682 4 HE21 GLN 19 HE21 GLN 19 -8.034 -10.216 17.104 5 HE22 GLN 19 HE22 GLN 19 -9.446 -9.389 17.648 6 H GLN 19 HN GLN 19 -8.547 -13.241 13.858 7 HB3 GLN 19 HB1 GLN 19 -10.471 -14.036 16.779 8 HG3 GLN 19 HG1 GLN 19 -8.117 -12.247 16.152 No H/Q in entry = 8 In of MODEL 15 1 HA ARG 20 HA ARG 20 -11.862 -17.375 14.239 2 HB2 ARG 20 HB2 ARG 20 -13.583 -16.899 12.569 3 HG2 ARG 20 HG2 ARG 20 -13.413 -14.357 11.664 4 HD2 ARG 20 HD2 ARG 20 -12.801 -15.188 9.433 5 HE ARG 20 HE ARG 20 -14.868 -16.360 10.966 6 HH11 ARG 20 HH11 ARG 20 -13.229 -16.879 7.911 7 HH12 ARG 20 HH12 ARG 20 -14.599 -17.655 7.188 8 HH21 ARG 20 HH21 ARG 20 -16.640 -17.358 10.009 9 HH22 ARG 20 HH22 ARG 20 -16.535 -17.913 8.370 10 H ARG 20 HN ARG 20 -10.629 -14.844 13.402 11 HB3 ARG 20 HB1 ARG 20 -13.331 -15.522 13.620 12 HG3 ARG 20 HG1 ARG 20 -11.703 -14.775 11.594 13 HD3 ARG 20 HD1 ARG 20 -12.238 -16.709 10.138 No H/Q in entry = 13 In of MODEL 15 1 HA GLU 21 HA GLU 21 -9.653 -18.473 10.093 2 HB2 GLU 21 HB2 GLU 21 -8.410 -16.345 9.628 3 HG2 GLU 21 HG2 GLU 21 -6.368 -17.225 8.566 4 H GLU 21 HN GLU 21 -9.399 -16.372 12.056 5 HB3 GLU 21 HB1 GLU 21 -7.193 -16.808 10.807 6 HG3 GLU 21 HG1 GLU 21 -6.585 -18.763 9.407 No H/Q in entry = 6 In of MODEL 15 1 HA TYR 22 HA TYR 22 -6.463 -20.737 12.676 2 HB2 TYR 22 HB2 TYR 22 -5.184 -18.420 14.188 3 HD1 TYR 22 HD1 TYR 22 -4.394 -16.739 12.760 4 HD2 TYR 22 HD2 TYR 22 -4.081 -20.805 11.478 5 HE1 TYR 22 HE1 TYR 22 -3.117 -16.021 10.798 6 HE2 TYR 22 HE2 TYR 22 -2.804 -20.075 9.506 7 HH TYR 22 HH TYR 22 -2.557 -17.975 8.137 8 H TYR 22 HN TYR 22 -7.118 -17.892 12.542 9 HB3 TYR 22 HB1 TYR 22 -4.540 -20.047 14.005 No H/Q in entry = 9 In of MODEL 15 1 HA SER 23 HA SER 23 -8.857 -19.494 16.711 2 HB2 SER 23 HB2 SER 23 -6.073 -20.174 17.773 3 HG SER 23 HG SER 23 -8.101 -21.670 16.590 4 H SER 23 HN SER 23 -6.652 -18.334 15.328 5 HB3 SER 23 HB1 SER 23 -7.565 -20.375 18.691 No H/Q in entry = 5 In of MODEL 15 1 HA THR 24 HA THR 24 -7.582 -16.111 19.469 2 HB THR 24 HB THR 24 -9.461 -15.664 21.112 3 HG1 THR 24 HG1 THR 24 -10.333 -17.677 21.418 4 HG21 THR 24 HG21 THR 24 -9.504 -14.594 18.897 5 HG23 THR 24 HG22 THR 24 -11.136 -14.962 19.459 6 HG22 THR 24 HG23 THR 24 -10.374 -15.980 18.233 7 H THR 24 HN THR 24 -9.154 -18.529 18.831 No H/Q in entry = 7 In of MODEL 15 1 HA LEU 25 HA LEU 25 -5.979 -18.540 22.822 2 HB2 LEU 25 HB2 LEU 25 -4.351 -16.536 22.409 3 HG LEU 25 HG LEU 25 -4.406 -17.700 25.224 4 HD13 LEU 25 HD11 LEU 25 -2.857 -19.384 24.369 5 HD12 LEU 25 HD12 LEU 25 -2.989 -18.714 22.740 6 HD11 LEU 25 HD13 LEU 25 -4.395 -19.458 23.512 7 HD22 LEU 25 HD21 LEU 25 -2.002 -17.188 25.258 8 HD21 LEU 25 HD22 LEU 25 -2.961 -15.724 25.064 9 HD23 LEU 25 HD23 LEU 25 -2.128 -16.423 23.672 10 H LEU 25 HN LEU 25 -6.541 -16.019 21.494 11 HB3 LEU 25 HB1 LEU 25 -5.124 -15.795 23.805 No H/Q in entry = 11 In of MODEL 15 1 HA ARG 26 HA ARG 26 -9.152 -17.607 25.795 2 HB2 ARG 26 HB2 ARG 26 -10.142 -19.696 26.685 3 HG2 ARG 26 HG2 ARG 26 -8.198 -21.262 24.964 4 HD2 ARG 26 HD2 ARG 26 -10.467 -22.253 25.345 5 HE ARG 26 HE ARG 26 -9.695 -22.109 28.201 6 HH11 ARG 26 HH11 ARG 26 -12.208 -22.593 25.789 7 HH12 ARG 26 HH12 ARG 26 -13.451 -22.818 26.974 8 HH21 ARG 26 HH21 ARG 26 -11.346 -22.398 29.723 9 HH22 ARG 26 HH22 ARG 26 -12.968 -22.694 29.195 10 H ARG 26 HN ARG 26 -7.156 -19.339 24.500 11 HB3 ARG 26 HB1 ARG 26 -10.033 -19.707 24.929 12 HG3 ARG 26 HG1 ARG 26 -8.016 -21.099 26.712 13 HD3 ARG 26 HD1 ARG 26 -9.136 -23.214 25.994 No H/Q in entry = 13 In of MODEL 15 1 HA SER 27 HA SER 27 -6.205 -18.557 29.306 2 HB2 SER 27 HB2 SER 27 -6.550 -21.566 28.844 3 HG SER 27 HG SER 27 -8.305 -19.583 29.859 4 H SER 27 HN SER 27 -6.375 -19.668 26.610 5 HB3 SER 27 HB1 SER 27 -6.277 -20.773 30.401 No H/Q in entry = 5 In of MODEL 15 1 HA VAL 28 HA VAL 28 -2.088 -20.288 28.768 2 HB VAL 28 HB VAL 28 -1.663 -17.527 30.015 3 H VAL 28 HN VAL 28 -4.182 -18.756 30.182 No H/Q in entry = 3 In of MODEL 15 1 HA GLN 29 HA GLN 29 -0.789 -20.996 33.027 2 HB2 GLN 29 HB2 GLN 29 -1.127 -23.472 33.302 3 HG2 GLN 29 HG2 GLN 29 -1.827 -23.441 30.360 4 HE21 GLN 29 HE21 GLN 29 -1.127 -26.263 30.252 5 HE22 GLN 29 HE22 GLN 29 -2.450 -27.121 30.959 6 H GLN 29 HN GLN 29 -0.638 -21.280 30.121 7 HB3 GLN 29 HB1 GLN 29 -2.521 -22.667 32.587 8 HG3 GLN 29 HG1 GLN 29 -0.431 -24.247 31.064 No H/Q in entry = 8 In of MODEL 15 1 HA TYR 30 HA TYR 30 3.444 -21.958 32.122 2 HB2 TYR 30 HB2 TYR 30 3.745 -19.839 33.318 3 HD1 TYR 30 HD1 TYR 30 5.371 -21.180 36.147 4 HD2 TYR 30 HD2 TYR 30 5.718 -21.032 31.889 5 HE1 TYR 30 HE1 TYR 30 7.764 -21.733 36.316 6 HE2 TYR 30 HE2 TYR 30 8.105 -21.576 32.062 7 HH TYR 30 HH TYR 30 9.932 -21.312 33.806 8 H TYR 30 HN TYR 30 1.222 -21.113 33.818 9 HB3 TYR 30 HB1 TYR 30 3.444 -20.626 34.866 No H/Q in entry = 9 In of MODEL 15 1 HA ARG 31 HA ARG 31 3.695 -25.732 34.483 2 HB2 ARG 31 HB2 ARG 31 4.644 -26.227 31.631 3 HG2 ARG 31 HG2 ARG 31 2.158 -27.149 33.117 4 HD2 ARG 31 HD2 ARG 31 3.021 -27.836 30.295 5 HE ARG 31 HE ARG 31 0.659 -27.999 30.395 6 HH11 ARG 31 HH11 ARG 31 2.214 -30.134 32.719 7 HH12 ARG 31 HH12 ARG 31 0.887 -31.240 32.778 8 HH21 ARG 31 HH21 ARG 31 -1.078 -29.471 30.484 9 HH22 ARG 31 HH22 ARG 31 -0.987 -30.854 31.519 10 H ARG 31 HN ARG 31 4.112 -23.974 32.178 11 HB3 ARG 31 HB1 ARG 31 4.644 -27.478 32.875 12 HG3 ARG 31 HG1 ARG 31 2.215 -26.043 31.736 13 HD3 ARG 31 HD1 ARG 31 3.155 -28.937 31.669 No H/Q in entry = 13 In of MODEL 15 1 HA SER 32 HA SER 32 7.788 -24.417 35.661 2 HB2 SER 32 HB2 SER 32 6.634 -25.923 38.045 3 HG SER 32 HG SER 32 6.778 -23.137 37.943 4 H SER 32 HN SER 32 5.203 -25.545 36.018 5 HB3 SER 32 HB1 SER 32 8.046 -24.862 38.074 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 33 HA GLU 33 9.261 -28.949 36.453 2 HB2 GLU 33 HB2 GLU 33 8.216 -31.125 36.430 3 HG2 GLU 33 HG2 GLU 33 6.590 -30.763 34.519 4 H GLU 33 HN GLU 33 6.662 -27.785 36.259 5 HB3 GLU 33 HB1 GLU 33 7.227 -30.048 37.401 6 HG3 GLU 33 HG1 GLU 33 5.979 -31.668 35.903 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 34 HA GLU 34 8.740 -29.714 31.826 2 HB2 GLU 34 HB2 GLU 34 6.433 -27.763 31.494 3 HG2 GLU 34 HG2 GLU 34 5.761 -29.770 32.761 4 H GLU 34 HN GLU 34 7.154 -28.294 33.800 5 HB3 GLU 34 HB1 GLU 34 7.107 -28.786 30.224 6 HG3 GLU 34 HG1 GLU 34 4.990 -29.675 31.172 No H/Q in entry = 6 In of MODEL 15 1 HA3 GLY 35 HA2 GLY 35 9.897 -24.671 32.974 2 H GLY 35 HN GLY 35 8.612 -26.542 33.210 3 HA2 GLY 35 HA1 GLY 35 11.004 -25.620 31.991 No H/Q in entry = 3 In of MODEL 15 1 HA VAL 36 HA VAL 36 8.223 -23.439 28.931 2 HB VAL 36 HB VAL 36 6.820 -24.725 27.397 3 H VAL 36 HN VAL 36 7.634 -25.274 31.167 No H/Q in entry = 3 In of MODEL 15 1 HA ILE 37 HA ILE 37 4.192 -21.814 30.007 2 HB ILE 37 HB ILE 37 5.007 -20.144 27.582 3 HD12 ILE 37 HD11 ILE 37 5.329 -17.511 29.242 4 HD11 ILE 37 HD12 ILE 37 6.475 -18.076 28.023 5 HD13 ILE 37 HD13 ILE 37 7.023 -17.750 29.667 6 H ILE 37 HN ILE 37 6.560 -22.109 28.324 No H/Q in entry = 6 In of MODEL 15 1 HA VAL 38 HA VAL 38 1.904 -23.719 26.672 2 HB VAL 38 HB VAL 38 0.573 -24.421 29.331 3 H VAL 38 HN VAL 38 2.219 -22.476 29.338 No H/Q in entry = 3 In of MODEL 15 1 HA PHE 39 HA PHE 39 -1.251 -20.580 26.284 2 HB2 PHE 39 HB2 PHE 39 0.023 -21.015 23.537 3 HD1 PHE 39 HD1 PHE 39 -0.321 -17.854 25.409 4 HD2 PHE 39 HD2 PHE 39 2.363 -20.964 24.229 5 HE1 PHE 39 HE1 PHE 39 1.588 -16.463 26.092 6 HE2 PHE 39 HE2 PHE 39 4.271 -19.571 24.913 7 HZ PHE 39 HZ PHE 39 3.884 -17.315 25.843 8 H PHE 39 HN PHE 39 0.705 -22.572 25.364 9 HB3 PHE 39 HB1 PHE 39 -1.070 -19.702 23.950 No H/Q in entry = 9 In of MODEL 15 1 HA ILE 40 HA ILE 40 -4.032 -23.890 24.885 2 HB ILE 40 HB ILE 40 -5.552 -22.533 27.163 3 HD12 ILE 40 HD11 ILE 40 -5.768 -25.317 28.757 4 HD11 ILE 40 HD12 ILE 40 -5.379 -23.764 29.502 5 HD13 ILE 40 HD13 ILE 40 -4.259 -25.117 29.648 6 H ILE 40 HN ILE 40 -3.089 -21.843 26.690 No H/Q in entry = 6 In of MODEL 15 1 HA LEU 41 HA LEU 41 -6.244 -20.920 22.398 2 HB2 LEU 41 HB2 LEU 41 -5.772 -23.452 20.781 3 HG LEU 41 HG LEU 41 -3.752 -22.043 21.059 4 HD11 LEU 41 HD11 LEU 41 -4.006 -23.222 18.924 5 HD13 LEU 41 HD12 LEU 41 -3.159 -21.692 18.712 6 HD12 LEU 41 HD13 LEU 41 -4.855 -21.835 18.238 7 HD22 LEU 41 HD21 LEU 41 -4.817 -19.915 21.532 8 HD21 LEU 41 HD22 LEU 41 -5.435 -19.813 19.882 9 HD23 LEU 41 HD23 LEU 41 -3.701 -19.747 20.183 10 H LEU 41 HN LEU 41 -5.017 -23.479 23.027 11 HB3 LEU 41 HB1 LEU 41 -6.655 -22.078 20.132 No H/Q in entry = 11 In of MODEL 15 1 HA ALA 42 HA ALA 42 -10.443 -21.846 22.947 2 HB3 ALA 42 HB1 ALA 42 -11.940 -20.668 21.386 3 HB1 ALA 42 HB2 ALA 42 -10.609 -20.472 20.240 4 HB2 ALA 42 HB3 ALA 42 -10.551 -19.665 21.808 5 H ALA 42 HN ALA 42 -8.349 -20.838 21.315 No H/Q in entry = 5 In of MODEL 15 1 HA ASN 43 HA ASN 43 -11.040 -25.069 19.636 2 HB2 ASN 43 HB2 ASN 43 -10.023 -25.585 17.582 3 HD21 ASN 43 HD21 ASN 43 -7.489 -23.270 18.407 4 HD22 ASN 43 HD22 ASN 43 -6.184 -24.307 18.000 5 H ASN 43 HN ASN 43 -8.860 -23.182 20.179 6 HB3 ASN 43 HB1 ASN 43 -9.679 -23.872 17.754 No H/Q in entry = 6 In of MODEL 15 1 HA ASP 44 HA ASP 44 -7.859 -26.255 23.414 2 HB2 ASP 44 HB2 ASP 44 -9.342 -28.531 22.026 3 H ASP 44 HN ASP 44 -9.081 -24.947 22.046 4 HB3 ASP 44 HB1 ASP 44 -8.369 -28.720 23.480 No H/Q in entry = 4 In of MODEL 15 1 HA ARG 45 HA ARG 45 -4.461 -27.488 20.895 2 HB2 ARG 45 HB2 ARG 45 -5.649 -26.302 18.952 3 HG2 ARG 45 HG2 ARG 45 -3.319 -27.394 18.673 4 HD2 ARG 45 HD2 ARG 45 -2.519 -24.493 18.359 5 HE ARG 45 HE ARG 45 -1.444 -26.035 16.763 6 HH11 ARG 45 HH11 ARG 45 -0.286 -26.070 20.076 7 HH12 ARG 45 HH12 ARG 45 1.263 -26.699 19.634 8 HH21 ARG 45 HH21 ARG 45 0.584 -26.870 16.227 9 HH22 ARG 45 HH22 ARG 45 1.751 -27.158 17.472 10 H ARG 45 HN ARG 45 -6.316 -25.298 21.679 11 HB3 ARG 45 HB1 ARG 45 -4.788 -24.841 19.394 12 HG3 ARG 45 HG1 ARG 45 -3.902 -26.287 17.434 13 HD3 ARG 45 HD1 ARG 45 -1.958 -25.562 19.648 No H/Q in entry = 13 In of MODEL 15 1 HA GLU 46 HA GLU 46 -2.204 -24.947 23.763 2 HB2 GLU 46 HB2 GLU 46 -1.229 -27.810 24.137 3 HG2 GLU 46 HG2 GLU 46 -2.403 -27.644 26.351 4 H GLU 46 HN GLU 46 -2.883 -27.407 22.369 5 HB3 GLU 46 HB1 GLU 46 -0.735 -26.455 25.142 6 HG3 GLU 46 HG1 GLU 46 -3.133 -26.137 25.803 No H/Q in entry = 6 In of MODEL 15 1 HA LEU 47 HA LEU 47 1.381 -24.505 21.090 2 HB2 LEU 47 HB2 LEU 47 0.243 -21.818 21.869 3 HG LEU 47 HG LEU 47 -0.583 -22.823 19.734 4 HD13 LEU 47 HD11 LEU 47 -0.179 -20.876 18.289 5 HD12 LEU 47 HD12 LEU 47 1.149 -20.365 19.335 6 HD11 LEU 47 HD13 LEU 47 -0.503 -20.386 19.952 7 HD22 LEU 47 HD21 LEU 47 0.947 -23.103 17.821 8 HD21 LEU 47 HD22 LEU 47 1.421 -24.147 19.165 9 HD23 LEU 47 HD23 LEU 47 2.321 -22.661 18.841 10 H LEU 47 HN LEU 47 -0.912 -23.614 22.594 11 HB3 LEU 47 HB1 LEU 47 1.890 -21.902 21.264 No H/Q in entry = 11 In of MODEL 15 1 HA LYS 48 HA LYS 48 3.708 -24.585 24.854 2 HB2 LYS 48 HB2 LYS 48 3.186 -26.924 24.305 3 HG2 LYS 48 HG2 LYS 48 6.177 -26.712 24.793 4 HD2 LYS 48 HD2 LYS 48 4.186 -28.903 25.503 5 HE2 LYS 48 HE2 LYS 48 5.961 -28.643 27.235 6 HZ2 LYS 48 HZ1 LYS 48 8.238 -29.147 26.644 7 HZ1 LYS 48 HZ2 LYS 48 7.726 -27.765 25.806 8 HZ3 LYS 48 HZ3 LYS 48 7.830 -29.251 25.005 9 H LYS 48 HN LYS 48 3.185 -25.113 21.992 10 HB3 LYS 48 HB1 LYS 48 4.436 -26.941 23.065 11 HG3 LYS 48 HG1 LYS 48 4.934 -26.595 26.045 12 HD3 LYS 48 HD1 LYS 48 5.436 -29.010 24.261 13 HE3 LYS 48 HE1 LYS 48 6.069 -30.170 26.360 No H/Q in entry = 13 In of MODEL 15 1 HA PHE 49 HA PHE 49 7.703 -23.184 23.489 2 HB2 PHE 49 HB2 PHE 49 6.055 -20.633 23.846 3 HD1 PHE 49 HD1 PHE 49 8.122 -21.980 21.039 4 HD2 PHE 49 HD2 PHE 49 4.191 -20.974 22.391 5 HE1 PHE 49 HE1 PHE 49 7.238 -22.361 18.774 6 HE2 PHE 49 HE2 PHE 49 3.321 -21.357 20.124 7 HZ PHE 49 HZ PHE 49 4.837 -22.056 18.318 8 H PHE 49 HN PHE 49 5.174 -23.003 25.004 9 HB3 PHE 49 HB1 PHE 49 7.694 -20.684 23.206 No H/Q in entry = 9 In of MODEL 15 1 HA ARG 50 HA ARG 50 9.373 -22.312 27.424 2 HB2 ARG 50 HB2 ARG 50 11.643 -21.823 25.465 3 HG2 ARG 50 HG2 ARG 50 11.035 -24.290 27.130 4 HD2 ARG 50 HD2 ARG 50 12.834 -25.361 25.920 5 HE ARG 50 HE ARG 50 13.657 -22.754 27.053 6 HH11 ARG 50 HH11 ARG 50 14.376 -26.158 26.612 7 HH12 ARG 50 HH12 ARG 50 15.714 -26.124 27.713 8 HH21 ARG 50 HH21 ARG 50 15.383 -22.708 28.431 9 HH22 ARG 50 HH22 ARG 50 16.287 -24.153 28.757 10 H ARG 50 HN ARG 50 9.460 -22.027 24.520 11 HB3 ARG 50 HB1 ARG 50 11.871 -21.989 27.205 12 HG3 ARG 50 HG1 ARG 50 10.698 -24.136 25.400 13 HD3 ARG 50 HD1 ARG 50 13.061 -23.943 24.890 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 51 HA PRO 51 9.286 -17.874 28.402 2 HB2 PRO 51 HB2 PRO 51 11.395 -18.524 30.448 3 HG2 PRO 51 HG2 PRO 51 10.143 -20.211 31.487 4 HD2 PRO 51 HD2 PRO 51 10.919 -21.268 29.539 5 HB3 PRO 51 HB1 PRO 51 9.847 -17.689 30.658 6 HG3 PRO 51 HG1 PRO 51 8.628 -19.695 30.714 7 HD3 PRO 51 HD1 PRO 51 9.166 -21.505 29.340 No H/Q in entry = 7 In of MODEL 15 1 HA ASP 52 HA ASP 52 13.996 -17.052 27.770 2 HB2 ASP 52 HB2 ASP 52 15.902 -18.684 27.594 3 H ASP 52 HN ASP 52 12.517 -19.376 28.504 4 HB3 ASP 52 HB1 ASP 52 15.025 -18.778 29.114 No H/Q in entry = 4 In of MODEL 15 1 HA ASP 53 HA ASP 53 13.538 -18.724 23.377 2 HB2 ASP 53 HB2 ASP 53 12.316 -20.826 23.626 3 H ASP 53 HN ASP 53 12.135 -19.175 25.885 4 HB3 ASP 53 HB1 ASP 53 10.822 -19.968 23.985 No H/Q in entry = 4 In of MODEL 15 1 HA LEU 54 HA LEU 54 9.721 -15.948 22.826 2 HB2 LEU 54 HB2 LEU 54 8.663 -16.196 25.667 3 HG LEU 54 HG LEU 54 8.505 -18.365 24.463 4 HD12 LEU 54 HD11 LEU 54 5.829 -16.984 24.802 5 HD11 LEU 54 HD12 LEU 54 6.771 -17.773 26.071 6 HD13 LEU 54 HD13 LEU 54 6.106 -18.727 24.750 7 HD21 LEU 54 HD21 LEU 54 8.521 -17.554 22.151 8 HD23 LEU 54 HD22 LEU 54 6.924 -16.828 22.372 9 HD22 LEU 54 HD23 LEU 54 7.112 -18.581 22.440 10 H LEU 54 HN LEU 54 10.679 -17.512 25.080 11 HB3 LEU 54 HB1 LEU 54 7.829 -15.396 24.336 No H/Q in entry = 11 In of MODEL 15 1 HA GLN 55 HA GLN 55 11.411 -12.061 23.773 2 HB2 GLN 55 HB2 GLN 55 10.180 -11.522 21.729 3 HG2 GLN 55 HG2 GLN 55 9.518 -9.379 23.771 4 HE21 GLN 55 HE21 GLN 55 10.943 -7.518 21.989 5 HE22 GLN 55 HE22 GLN 55 9.828 -7.136 20.730 6 H GLN 55 HN GLN 55 9.359 -13.743 22.819 7 HB3 GLN 55 HB1 GLN 55 8.666 -11.376 22.617 8 HG3 GLN 55 HG1 GLN 55 11.070 -9.547 22.952 No H/Q in entry = 8 In of MODEL 15 1 HA ALA 56 HA ALA 56 7.830 -10.343 26.620 2 HB2 ALA 56 HB1 ALA 56 5.860 -11.588 25.796 3 HB3 ALA 56 HB2 ALA 56 5.847 -11.476 27.558 4 HB1 ALA 56 HB3 ALA 56 6.325 -12.983 26.767 5 H ALA 56 HN ALA 56 8.015 -12.440 24.806 No H/Q in entry = 5 In of MODEL 15 1 HA THR 57 HA THR 57 9.259 -13.219 29.974 2 HB THR 57 HB THR 57 8.935 -15.723 29.928 3 HG1 THR 57 HG1 THR 57 9.609 -15.668 27.502 4 HG23 THR 57 HG21 THR 57 6.560 -15.604 29.388 5 HG22 THR 57 HG22 THR 57 6.818 -14.123 28.466 6 HG21 THR 57 HG23 THR 57 7.048 -14.129 30.213 7 H THR 57 HN THR 57 9.247 -13.463 27.027 No H/Q in entry = 7 In of MODEL 15 1 HA TYR 58 HA TYR 58 13.409 -14.714 28.183 2 HB2 TYR 58 HB2 TYR 58 13.108 -13.321 26.062 3 HD1 TYR 58 HD1 TYR 58 14.761 -15.502 26.516 4 HD2 TYR 58 HD2 TYR 58 15.940 -11.394 26.500 5 HE1 TYR 58 HE1 TYR 58 17.049 -16.172 25.929 6 HE2 TYR 58 HE2 TYR 58 18.227 -12.061 25.913 7 HH TYR 58 HH TYR 58 19.042 -15.164 24.833 8 H TYR 58 HN TYR 58 11.326 -12.841 27.632 9 HB3 TYR 58 HB1 TYR 58 13.678 -11.929 26.980 No H/Q in entry = 9 In of MODEL 15 1 HA3 GLY 59 HA2 GLY 59 14.932 -14.242 32.288 2 H GLY 59 HN GLY 59 13.749 -14.797 30.371 3 HA2 GLY 59 HA1 GLY 59 15.207 -12.625 31.661 No H/Q in entry = 3 In of MODEL 15 1 HA ALA 60 HA ALA 60 11.183 -12.152 33.938 2 HB3 ALA 60 HB1 ALA 60 8.874 -12.639 33.257 3 HB1 ALA 60 HB2 ALA 60 9.445 -13.845 32.099 4 HB2 ALA 60 HB3 ALA 60 9.840 -12.141 31.868 5 H ALA 60 HN ALA 60 11.995 -14.076 31.833 No H/Q in entry = 5 In of MODEL 15 1 HA THR 61 HA THR 61 11.012 -15.382 36.856 2 HB THR 61 HB THR 61 9.847 -14.568 38.967 3 HG1 THR 61 HG1 THR 61 9.344 -12.191 38.751 4 HG21 THR 61 HG21 THR 61 12.246 -14.075 38.617 5 HG23 THR 61 HG22 THR 61 11.427 -12.779 39.484 6 HG22 THR 61 HG23 THR 61 11.819 -12.581 37.773 7 H THR 61 HN THR 61 10.116 -12.844 35.812 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 62 HA PRO 62 7.475 -17.944 36.070 2 HB2 PRO 62 HB2 PRO 62 7.312 -19.488 38.372 3 HG2 PRO 62 HG2 PRO 62 8.783 -18.221 39.698 4 HD2 PRO 62 HD2 PRO 62 10.347 -16.746 38.759 5 HB3 PRO 62 HB1 PRO 62 8.514 -19.730 37.097 6 HG3 PRO 62 HG1 PRO 62 9.907 -19.384 38.961 7 HD3 PRO 62 HD1 PRO 62 10.690 -17.824 37.386 No H/Q in entry = 7 In of MODEL 15 1 HA GLU 63 HA GLU 63 4.579 -16.408 39.601 2 HB2 GLU 63 HB2 GLU 63 4.813 -14.447 41.121 3 HG2 GLU 63 HG2 GLU 63 6.874 -13.513 39.553 4 H GLU 63 HN GLU 63 7.373 -16.059 39.056 5 HB3 GLU 63 HB1 GLU 63 6.034 -15.678 41.408 6 HG3 GLU 63 HG1 GLU 63 6.527 -12.982 41.199 No H/Q in entry = 6 In of MODEL 15 1 HA GLN 64 HA GLN 64 4.165 -12.449 36.984 2 HB2 GLN 64 HB2 GLN 64 6.947 -12.677 35.787 3 HG2 GLN 64 HG2 GLN 64 5.768 -10.572 37.621 4 HE21 GLN 64 HE21 GLN 64 8.563 -11.617 35.703 5 HE22 GLN 64 HE22 GLN 64 9.403 -10.113 35.797 6 H GLN 64 HN GLN 64 6.425 -14.148 37.619 7 HB3 GLN 64 HB1 GLN 64 5.770 -11.449 35.323 8 HG3 GLN 64 HG1 GLN 64 6.926 -11.808 38.104 No H/Q in entry = 8 In of MODEL 15 1 HA LEU 65 HA LEU 65 3.765 -15.476 33.390 2 HB2 LEU 65 HB2 LEU 65 5.396 -17.759 34.634 3 HG LEU 65 HG LEU 65 7.078 -16.089 34.294 4 HD11 LEU 65 HD11 LEU 65 7.695 -18.277 33.443 5 HD13 LEU 65 HD12 LEU 65 8.454 -17.006 32.489 6 HD12 LEU 65 HD13 LEU 65 7.056 -17.873 31.847 7 HD21 LEU 65 HD21 LEU 65 5.752 -15.459 31.633 8 HD23 LEU 65 HD22 LEU 65 7.306 -14.805 32.172 9 HD22 LEU 65 HD23 LEU 65 5.841 -14.429 33.067 10 H LEU 65 HN LEU 65 5.310 -15.472 35.929 11 HB3 LEU 65 HB1 LEU 65 4.817 -17.628 32.975 No H/Q in entry = 11 In of MODEL 15 1 HA ARG 66 HA ARG 66 0.612 -17.246 35.993 2 HB2 ARG 66 HB2 ARG 66 1.552 -15.938 38.592 3 HG2 ARG 66 HG2 ARG 66 1.873 -18.819 37.691 4 HD2 ARG 66 HD2 ARG 66 2.697 -19.313 39.939 5 HE ARG 66 HE ARG 66 0.189 -19.409 39.514 6 HH11 ARG 66 HH11 ARG 66 1.537 -17.410 42.085 7 HH12 ARG 66 HH12 ARG 66 0.095 -17.474 43.042 8 HH21 ARG 66 HH21 ARG 66 -1.691 -19.457 40.784 9 HH22 ARG 66 HH22 ARG 66 -1.719 -18.644 42.313 10 H ARG 66 HN ARG 66 2.950 -15.493 36.446 11 HB3 ARG 66 HB1 ARG 66 0.192 -17.050 38.412 12 HG3 ARG 66 HG1 ARG 66 3.151 -17.685 38.127 13 HD3 ARG 66 HD1 ARG 66 2.378 -17.649 40.452 No H/Q in entry = 13 In of MODEL 15 1 HA GLU 67 HA GLU 67 -0.781 -12.746 36.622 2 HB2 GLU 67 HB2 GLU 67 1.946 -11.408 36.418 3 HG2 GLU 67 HG2 GLU 67 1.977 -12.755 38.451 4 H GLU 67 HN GLU 67 1.836 -13.989 36.549 5 HB3 GLU 67 HB1 GLU 67 0.429 -10.655 36.905 6 HG3 GLU 67 HG1 GLU 67 1.901 -11.034 38.815 No H/Q in entry = 6 In of MODEL 15 1 HA ILE 68 HA ILE 68 -0.381 -12.398 32.184 2 HB ILE 68 HB ILE 68 -1.526 -15.172 32.773 3 HD12 ILE 68 HD11 ILE 68 1.920 -16.630 32.226 4 HD11 ILE 68 HD12 ILE 68 0.573 -16.682 31.090 5 HD13 ILE 68 HD13 ILE 68 0.309 -17.044 32.804 6 H ILE 68 HN ILE 68 -1.596 -13.424 34.674 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 69 HA GLU 69 -4.719 -11.969 31.013 2 HB2 GLU 69 HB2 GLU 69 -4.182 -9.682 31.832 3 HG2 GLU 69 HG2 GLU 69 -5.353 -9.470 29.042 4 H GLU 69 HN GLU 69 -1.800 -11.510 30.750 5 HB3 GLU 69 HB1 GLU 69 -3.280 -9.344 30.359 6 HG3 GLU 69 HG1 GLU 69 -6.265 -9.871 30.496 No H/Q in entry = 6 In of MODEL 15 1 HA ILE 70 HA ILE 70 -4.241 -12.879 26.656 2 HB ILE 70 HB ILE 70 -7.192 -12.092 26.769 3 HD12 ILE 70 HD11 ILE 70 -4.671 -14.851 27.389 4 HD11 ILE 70 HD12 ILE 70 -5.550 -15.458 25.982 5 HD13 ILE 70 HD13 ILE 70 -5.903 -16.096 27.585 6 H ILE 70 HN ILE 70 -5.828 -11.939 28.880 No H/Q in entry = 6 In of MODEL 15 1 HA SER 71 HA SER 71 -2.991 -9.285 24.590 2 HB2 SER 71 HB2 SER 71 -3.111 -9.343 22.092 3 HG SER 71 HG SER 71 -4.571 -11.751 22.383 4 H SER 71 HN SER 71 -4.159 -11.802 24.508 5 HB3 SER 71 HB1 SER 71 -2.573 -10.876 22.773 No H/Q in entry = 5 In of MODEL 15 1 HA PRO 72 HA PRO 72 -6.397 -6.317 24.305 2 HB2 PRO 72 HB2 PRO 72 -5.176 -4.190 23.129 3 HG2 PRO 72 HG2 PRO 72 -3.341 -5.359 22.187 4 HD2 PRO 72 HD2 PRO 72 -2.590 -7.384 23.078 5 HB3 PRO 72 HB1 PRO 72 -4.773 -4.712 24.775 6 HG3 PRO 72 HG1 PRO 72 -2.658 -4.756 23.713 7 HD3 PRO 72 HD1 PRO 72 -2.808 -6.841 24.759 No H/Q in entry = 7 In of MODEL 15 1 HA SER 73 HA SER 73 -7.542 -7.000 19.974 2 HB2 SER 73 HB2 SER 73 -5.349 -7.255 18.840 3 HG SER 73 HG SER 73 -7.318 -7.736 17.686 4 H SER 73 HN SER 73 -5.422 -8.099 21.726 5 HB3 SER 73 HB1 SER 73 -5.303 -8.965 19.277 No H/Q in entry = 5 In of MODEL 15 1 HA3 GLY 74 HA2 GLY 74 -7.843 -11.453 22.702 2 H GLY 74 HN GLY 74 -6.374 -9.820 21.743 3 HA2 GLY 74 HA1 GLY 74 -8.933 -11.261 21.340 No H/Q in entry = 3 In of MODEL 15 1 HA LEU 75 HA LEU 75 -6.081 -13.914 18.897 2 HB2 LEU 75 HB2 LEU 75 -4.314 -11.512 18.534 3 HG LEU 75 HG LEU 75 -6.235 -11.891 16.949 4 HD11 LEU 75 HD11 LEU 75 -3.455 -11.931 15.745 5 HD13 LEU 75 HD12 LEU 75 -4.341 -10.507 16.294 6 HD12 LEU 75 HD13 LEU 75 -4.930 -11.429 14.912 7 HD21 LEU 75 HD21 LEU 75 -4.584 -14.293 16.090 8 HD23 LEU 75 HD22 LEU 75 -5.994 -13.656 15.238 9 HD22 LEU 75 HD23 LEU 75 -6.179 -14.340 16.851 10 H LEU 75 HN LEU 75 -6.092 -11.228 19.831 11 HB3 LEU 75 HB1 LEU 75 -3.666 -13.071 18.056 No H/Q in entry = 11 In of MODEL 15 1 HA3 GLY 76 HA2 GLY 76 -2.290 -14.873 21.343 2 H GLY 76 HN GLY 76 -3.271 -12.267 20.389 3 HA2 GLY 76 HA1 GLY 76 -1.353 -13.390 21.155 No H/Q in entry = 3 In of MODEL 15 1 HA VAL 77 HA VAL 77 -2.409 -12.904 25.401 2 HB VAL 77 HB VAL 77 -0.662 -14.937 25.347 3 H VAL 77 HN VAL 77 -0.525 -13.200 23.138 No H/Q in entry = 3 In of MODEL 15 1 HA TYR 78 HA TYR 78 0.577 -9.626 26.438 2 HB2 TYR 78 HB2 TYR 78 -1.530 -8.501 25.654 3 HD1 TYR 78 HD1 TYR 78 -1.688 -7.093 29.012 4 HD2 TYR 78 HD2 TYR 78 0.479 -7.006 25.326 5 HE1 TYR 78 HE1 TYR 78 -0.696 -4.934 29.644 6 HE2 TYR 78 HE2 TYR 78 1.464 -4.853 25.959 7 HH TYR 78 HH TYR 78 1.198 -3.551 29.126 8 H TYR 78 HN TYR 78 -1.596 -11.459 27.062 9 HB3 TYR 78 HB1 TYR 78 -2.221 -8.687 27.261 No H/Q in entry = 9 In of MODEL 15 1 HA PHE 79 HA PHE 79 0.801 -11.226 30.614 2 HB2 PHE 79 HB2 PHE 79 3.662 -10.724 29.699 3 HD1 PHE 79 HD1 PHE 79 0.875 -13.020 29.974 4 HD2 PHE 79 HD2 PHE 79 4.920 -12.769 29.232 5 HE1 PHE 79 HE1 PHE 79 0.847 -15.264 29.008 6 HE2 PHE 79 HE2 PHE 79 4.875 -15.019 28.290 7 HZ PHE 79 HZ PHE 79 2.850 -16.286 28.175 8 H PHE 79 HN PHE 79 1.810 -10.489 28.054 9 HB3 PHE 79 HB1 PHE 79 3.222 -11.383 31.275 No H/Q in entry = 9 In of MODEL 15 1 HA GLU 80 HA GLU 80 -0.152 -7.197 31.553 2 HB2 GLU 80 HB2 GLU 80 -1.857 -8.630 32.689 3 HG2 GLU 80 HG2 GLU 80 -0.981 -6.225 34.310 4 H GLU 80 HN GLU 80 0.162 -9.949 32.115 5 HB3 GLU 80 HB1 GLU 80 -0.806 -8.752 34.096 6 HG3 GLU 80 HG1 GLU 80 -2.214 -6.280 33.052 No H/Q in entry = 6 In of MODEL 15 1 HA THR 81 HA THR 81 2.624 -6.611 35.448 2 HB THR 81 HB THR 81 3.304 -9.570 35.617 3 HG1 THR 81 HG1 THR 81 2.069 -8.723 37.763 4 HG23 THR 81 HG21 THR 81 4.332 -9.148 37.787 5 HG22 THR 81 HG22 THR 81 4.071 -7.407 37.614 6 HG21 THR 81 HG23 THR 81 5.199 -8.240 36.542 7 H THR 81 HN THR 81 1.593 -8.912 34.114 No H/Q in entry = 7 In of MODEL 15 1 HA LEU 82 HA LEU 82 6.481 -7.491 32.801 2 HB2 LEU 82 HB2 LEU 82 5.105 -9.050 30.568 3 HG LEU 82 HG LEU 82 5.015 -10.578 32.438 4 HD12 LEU 82 HD11 LEU 82 7.422 -11.278 30.731 5 HD11 LEU 82 HD12 LEU 82 5.732 -11.524 30.289 6 HD13 LEU 82 HD13 LEU 82 6.417 -12.401 31.651 7 HD23 LEU 82 HD21 LEU 82 7.938 -9.971 32.934 8 HD22 LEU 82 HD22 LEU 82 6.965 -11.199 33.754 9 HD21 LEU 82 HD23 LEU 82 6.572 -9.497 33.948 10 H LEU 82 HN LEU 82 3.785 -8.605 32.798 11 HB3 LEU 82 HB1 LEU 82 6.835 -8.795 30.773 No H/Q in entry = 11 In of MODEL 15 1 HA GLU 83 HA GLU 83 2.443 -5.263 30.132 2 HB2 GLU 83 HB2 GLU 83 4.989 -3.665 30.575 3 HG2 GLU 83 HG2 GLU 83 2.231 -3.262 31.773 4 H GLU 83 HN GLU 83 3.385 -6.562 31.730 5 HB3 GLU 83 HB1 GLU 83 3.567 -3.061 29.725 6 HG3 GLU 83 HG1 GLU 83 3.622 -3.930 32.637 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 84 HA GLU 84 4.859 -6.554 26.480 2 HB2 GLU 84 HB2 GLU 84 6.813 -7.177 28.109 3 HG2 GLU 84 HG2 GLU 84 8.046 -8.592 26.426 4 H GLU 84 HN GLU 84 4.014 -7.485 29.165 5 HB3 GLU 84 HB1 GLU 84 6.258 -8.830 27.962 6 HG3 GLU 84 HG1 GLU 84 6.575 -8.631 25.459 No H/Q in entry = 6 In of MODEL 15 1 HA ASP 85 HA ASP 85 2.161 -9.899 25.474 2 HB2 ASP 85 HB2 ASP 85 1.251 -9.437 23.249 3 H ASP 85 HN ASP 85 4.217 -7.885 24.820 4 HB3 ASP 85 HB1 ASP 85 1.501 -7.914 24.090 No H/Q in entry = 4 In of MODEL 15 1 HA VAL 86 HA VAL 86 4.327 -12.555 22.489 2 HB VAL 86 HB VAL 86 2.612 -14.589 24.052 3 H VAL 86 HN VAL 86 2.009 -11.813 24.187 No H/Q in entry = 3 In of MODEL 15 1 HA SER 87 HA SER 87 0.770 -12.026 19.786 2 HB2 SER 87 HB2 SER 87 2.418 -10.694 18.564 3 HG SER 87 HG SER 87 1.340 -10.937 16.784 4 H SER 87 HN SER 87 3.455 -11.976 20.565 5 HB3 SER 87 HB1 SER 87 3.273 -12.149 18.051 No H/Q in entry = 5 In of MODEL 15 1 HA LEU 88 HA LEU 88 0.107 -16.360 19.279 2 HB2 LEU 88 HB2 LEU 88 -2.236 -15.299 19.561 3 HG LEU 88 HG LEU 88 -2.006 -17.756 17.796 4 HD13 LEU 88 HD11 LEU 88 -2.285 -19.006 19.882 5 HD12 LEU 88 HD12 LEU 88 -2.344 -17.501 20.801 6 HD11 LEU 88 HD13 LEU 88 -0.862 -17.969 19.962 7 HD21 LEU 88 HD21 LEU 88 -4.247 -16.749 17.594 8 HD23 LEU 88 HD22 LEU 88 -4.420 -16.770 19.350 9 HD22 LEU 88 HD23 LEU 88 -4.303 -18.286 18.457 10 H LEU 88 HN LEU 88 -0.575 -13.639 19.283 11 HB3 LEU 88 HB1 LEU 88 -2.316 -15.245 17.818 No H/Q in entry = 11 In of MODEL 15 1 HA ILE 89 HA ILE 89 -0.312 -15.914 14.478 2 HB ILE 89 HB ILE 89 0.213 -12.903 14.406 3 HD13 ILE 89 HD11 ILE 89 -3.762 -14.459 14.182 4 HD12 ILE 89 HD12 ILE 89 -2.467 -15.569 14.624 5 HD11 ILE 89 HD13 ILE 89 -2.621 -15.002 12.956 6 H ILE 89 HN ILE 89 -0.598 -14.125 16.624 No H/Q in entry = 6 In of MODEL 15 1 HA3 GLY 90 HA2 GLY 90 4.314 -14.130 14.652 2 H GLY 90 HN GLY 90 1.989 -13.754 16.103 3 HA2 GLY 90 HA1 GLY 90 4.256 -13.914 16.400 No H/Q in entry = 3 In of MODEL 15 1 HA LEU 91 HA LEU 91 5.086 -18.133 17.348 2 HB2 LEU 91 HB2 LEU 91 2.160 -18.344 18.166 3 HG LEU 91 HG LEU 91 3.298 -16.623 19.515 4 HD13 LEU 91 HD11 LEU 91 2.844 -17.550 21.748 5 HD12 LEU 91 HD12 LEU 91 2.789 -19.180 21.068 6 HD11 LEU 91 HD13 LEU 91 1.585 -17.980 20.590 7 HD22 LEU 91 HD21 LEU 91 5.618 -17.322 19.249 8 HD21 LEU 91 HD22 LEU 91 5.323 -18.783 20.196 9 HD23 LEU 91 HD23 LEU 91 5.220 -17.196 20.963 10 H LEU 91 HN LEU 91 3.059 -16.163 17.319 11 HB3 LEU 91 HB1 LEU 91 3.399 -19.520 18.588 No H/Q in entry = 11 In of MODEL 15 1 HA LEU 92 HA LEU 92 2.117 -20.488 14.362 2 HB2 LEU 92 HB2 LEU 92 0.505 -18.012 13.624 3 HG LEU 92 HG LEU 92 0.063 -18.800 15.985 4 HD12 LEU 92 HD11 LEU 92 -2.246 -19.114 14.055 5 HD11 LEU 92 HD12 LEU 92 -1.646 -17.603 14.747 6 HD13 LEU 92 HD13 LEU 92 -2.371 -18.820 15.794 7 HD23 LEU 92 HD21 LEU 92 -0.906 -21.353 14.653 8 HD22 LEU 92 HD22 LEU 92 -1.103 -20.928 16.358 9 HD21 LEU 92 HD23 LEU 92 0.508 -21.191 15.700 10 H LEU 92 HN LEU 92 2.065 -17.873 15.561 11 HB3 LEU 92 HB1 LEU 92 0.177 -19.648 13.063 No H/Q in entry = 11 In of MODEL 15 1 HA GLU 93 HA GLU 93 4.266 -18.155 10.839 2 HB2 GLU 93 HB2 GLU 93 5.086 -15.714 12.496 3 HG2 GLU 93 HG2 GLU 93 2.717 -15.511 12.075 4 H GLU 93 HN GLU 93 3.582 -17.439 13.602 5 HB3 GLU 93 HB1 GLU 93 5.420 -15.947 10.782 6 HG3 GLU 93 HG1 GLU 93 3.602 -14.385 11.059 No H/Q in entry = 6 In of MODEL 15 1 HA3 GLY 94 HA2 GLY 94 7.367 -20.164 14.364 2 H GLY 94 HN GLY 94 5.500 -18.728 13.961 3 HA2 GLY 94 HA1 GLY 94 8.118 -19.604 12.878 No H/Q in entry = 3 In of MODEL 15 1 HA ARG 95 HA ARG 95 9.538 -16.040 15.373 2 HB2 ARG 95 HB2 ARG 95 6.907 -14.571 14.876 3 HG2 ARG 95 HG2 ARG 95 8.315 -13.065 13.443 4 HD2 ARG 95 HD2 ARG 95 8.313 -15.968 12.558 5 HE ARG 95 HE ARG 95 9.477 -13.832 11.220 6 HH11 ARG 95 HH11 ARG 95 7.038 -16.266 10.479 7 HH12 ARG 95 HH12 ARG 95 7.331 -16.209 8.773 8 HH21 ARG 95 HH21 ARG 95 9.870 -13.810 8.996 9 HH22 ARG 95 HH22 ARG 95 8.954 -14.834 7.941 10 H ARG 95 HN ARG 95 7.022 -16.861 14.192 11 HB3 ARG 95 HB1 ARG 95 8.263 -13.824 15.712 12 HG3 ARG 95 HG1 ARG 95 9.660 -14.174 13.659 13 HD3 ARG 95 HD1 ARG 95 7.032 -14.785 12.278 No H/Q in entry = 13 In of MODEL 15 1 HA ARG 96 HA ARG 96 7.855 -16.463 19.501 2 HB2 ARG 96 HB2 ARG 96 10.097 -16.153 21.042 3 HG2 ARG 96 HG2 ARG 96 11.509 -15.696 18.917 4 HD2 ARG 96 HD2 ARG 96 11.292 -18.728 18.753 5 HE ARG 96 HE ARG 96 12.844 -16.946 16.958 6 HH11 ARG 96 HH11 ARG 96 12.723 -19.797 19.039 7 HH12 ARG 96 HH12 ARG 96 14.207 -20.448 18.409 8 HH21 ARG 96 HH21 ARG 96 14.789 -17.822 16.164 9 HH22 ARG 96 HH22 ARG 96 15.379 -19.320 16.802 10 H ARG 96 HN ARG 96 9.882 -15.570 17.538 11 HB3 ARG 96 HB1 ARG 96 9.646 -17.657 20.270 12 HG3 ARG 96 HG1 ARG 96 12.086 -16.856 20.118 13 HD3 ARG 96 HD1 ARG 96 10.607 -17.613 17.569 No H/Q in entry = 13 In of MODEL 15 1 HA3 GLY 97 HA2 GLY 97 7.391 -11.948 19.657 2 H GLY 97 HN GLY 97 8.764 -13.748 18.035 3 HA2 GLY 97 HA1 GLY 97 9.113 -11.788 20.021 No H/Q in entry = 3 In of MODEL 15 1 HA SER 98 HA SER 98 8.409 -9.080 16.436 2 HB2 SER 98 HB2 SER 98 10.099 -7.540 18.460 3 HG SER 98 HG SER 98 8.236 -7.107 19.317 4 H SER 98 HN SER 98 8.928 -9.648 19.159 5 HB3 SER 98 HB1 SER 98 9.481 -6.895 16.932 No H/Q in entry = 5 In of MODEL 15 1 HA ALA 99 HA ALA 99 11.923 -10.698 14.449 2 HB2 ALA 99 HB1 ALA 99 12.327 -9.688 12.235 3 HB3 ALA 99 HB2 ALA 99 11.336 -8.295 12.677 4 HB1 ALA 99 HB3 ALA 99 10.598 -9.892 12.529 5 H ALA 99 HN ALA 99 9.848 -8.811 14.706 No H/Q in entry = 5 In of MODEL 15 1 HA LYS 100 HA LYS 100 14.722 -6.707 15.079 2 HB2 LYS 100 HB2 LYS 100 14.299 -4.825 16.609 3 HG2 LYS 100 HG2 LYS 100 11.531 -5.989 17.092 4 HD2 LYS 100 HD2 LYS 100 11.335 -4.106 18.743 5 HE2 LYS 100 HE2 LYS 100 11.729 -3.203 15.870 6 HZ1 LYS 100 HZ1 LYS 100 10.206 -1.955 18.091 7 HZ3 LYS 100 HZ2 LYS 100 10.180 -1.448 16.479 8 HZ2 LYS 100 HZ3 LYS 100 11.607 -1.338 17.374 9 H LYS 100 HN LYS 100 11.978 -7.260 15.258 10 HB3 LYS 100 HB1 LYS 100 13.010 -4.944 15.414 11 HG3 LYS 100 HG1 LYS 100 12.828 -5.934 18.284 12 HD3 LYS 100 HD1 LYS 100 12.830 -3.430 18.091 13 HE3 LYS 100 HE1 LYS 100 10.233 -3.842 16.560 No H/Q in entry = 13 In of MODEL 15 1 HA TRP 101 HA TRP 101 14.839 -8.106 19.698 2 HB2 TRP 101 HB2 TRP 101 12.501 -8.298 20.395 3 HD1 TRP 101 HD1 TRP 101 14.000 -8.421 22.702 4 HE1 TRP 101 HE1 TRP 101 14.520 -10.397 24.268 5 HE3 TRP 101 HE3 TRP 101 12.696 -12.283 19.614 6 HZ2 TRP 101 HZ2 TRP 101 14.404 -13.213 24.193 7 HZ3 TRP 101 HZ3 TRP 101 12.937 -14.589 20.435 8 HH2 TRP 101 HH2 TRP 101 13.776 -15.043 22.685 9 H TRP 101 HN TRP 101 12.805 -8.114 17.723 10 HB3 TRP 101 HB1 TRP 101 12.309 -9.806 19.502 No H/Q in entry = 10 In of MODEL 15 1 HA MET 102 HA MET 102 15.536 -12.614 18.248 2 HB2 MET 102 HB2 MET 102 14.155 -12.328 15.552 3 HG2 MET 102 HG2 MET 102 13.301 -13.871 18.012 4 HE2 MET 102 HE1 MET 102 13.019 -13.360 14.114 5 HE1 MET 102 HE2 MET 102 11.523 -12.626 14.693 6 HE3 MET 102 HE3 MET 102 11.473 -14.129 13.772 7 H MET 102 HN MET 102 13.781 -10.544 17.330 8 HB3 MET 102 HB1 MET 102 14.951 -13.786 16.132 9 HG3 MET 102 HG1 MET 102 12.459 -12.501 17.282 No H/Q in entry = 9 In of MODEL 15 1 HA ALA 103 HA ALA 103 18.259 -10.915 14.709 2 HB3 ALA 103 HB1 ALA 103 16.693 -9.351 13.615 3 HB2 ALA 103 HB2 ALA 103 18.329 -8.687 13.651 4 HB1 ALA 103 HB3 ALA 103 17.110 -8.100 14.787 5 H ALA 103 HN ALA 103 15.971 -9.852 16.151 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 104 HA GLU 104 20.482 -8.046 17.746 2 HB2 GLU 104 HB2 GLU 104 18.092 -7.091 19.380 3 HG2 GLU 104 HG2 GLU 104 19.258 -5.845 16.882 4 H GLU 104 HN GLU 104 17.642 -8.854 17.502 5 HB3 GLU 104 HB1 GLU 104 19.688 -6.340 19.277 6 HG3 GLU 104 HG1 GLU 104 17.661 -6.546 17.038 No H/Q in entry = 6 In of MODEL 15 1 HA HIS 105 HA HIS 105 19.857 -10.890 21.400 2 HB2 HIS 105 HB2 HIS 105 16.830 -10.694 21.825 3 HD1 HIS 105 HD1 HIS 105 19.010 -9.092 24.313 4 HD2 HIS 105 HD2 HIS 105 16.700 -7.919 21.058 5 HE1 HIS 105 HE1 HIS 105 18.706 -6.612 24.551 6 HE2 HIS 105 HE2 HIS 105 17.127 -5.971 22.708 7 H HIS 105 HN HIS 105 17.962 -9.858 19.362 8 HB3 HIS 105 HB1 HIS 105 18.059 -11.052 23.030 No H/Q in entry = 8 In of MODEL 15 1 HA PRO 106 HA PRO 106 18.265 -14.303 18.629 2 HB2 PRO 106 HB2 PRO 106 20.619 -15.631 18.253 3 HG2 PRO 106 HG2 PRO 106 21.982 -14.376 19.698 4 HD2 PRO 106 HD2 PRO 106 21.351 -12.240 20.416 5 HB3 PRO 106 HB1 PRO 106 20.165 -14.219 17.293 6 HG3 PRO 106 HG1 PRO 106 22.238 -13.512 18.165 7 HD3 PRO 106 HD1 PRO 106 20.867 -11.732 18.787 No H/Q in entry = 7 In of MODEL 15 1 HA LEU 107 HA LEU 107 18.053 -17.271 21.874 2 HB2 LEU 107 HB2 LEU 107 16.168 -17.915 20.304 3 HG LEU 107 HG LEU 107 17.609 -20.292 21.555 4 HD11 LEU 107 HD11 LEU 107 15.350 -18.578 22.629 5 HD13 LEU 107 HD12 LEU 107 17.017 -18.616 23.212 6 HD12 LEU 107 HD13 LEU 107 15.992 -20.034 23.394 7 HD21 LEU 107 HD21 LEU 107 14.760 -20.140 20.522 8 HD23 LEU 107 HD22 LEU 107 15.458 -21.485 21.429 9 HD22 LEU 107 HD23 LEU 107 16.079 -21.088 19.829 10 H LEU 107 HN LEU 107 17.943 -16.482 19.096 11 HB3 LEU 107 HB1 LEU 107 17.293 -18.950 19.438 No H/Q in entry = 11 In of MODEL 15 1 HA ALA 108 HA ALA 108 22.046 -19.149 21.587 2 HB2 ALA 108 HB1 ALA 108 22.621 -20.374 23.642 3 HB3 ALA 108 HB2 ALA 108 20.923 -20.380 24.129 4 HB1 ALA 108 HB3 ALA 108 21.804 -18.856 24.011 5 H ALA 108 HN ALA 108 19.503 -18.727 22.807 No H/Q in entry = 5 In of MODEL 15 1 HA SER 109 HA SER 109 21.798 -22.928 19.458 2 HB2 SER 109 HB2 SER 109 19.498 -23.512 18.508 3 HG SER 109 HG SER 109 19.067 -20.907 18.989 4 H SER 109 HN SER 109 21.474 -20.167 19.673 5 HB3 SER 109 HB1 SER 109 19.513 -23.218 20.243 No H/Q in entry = 5 In of MODEL 16 1 H1 MET 1 HT1 MET 1 3.953 -1.127 1.960 2 H2 MET 1 HT3 MET 1 5.095 0.112 1.971 3 H3 MET 1 HT2 MET 1 5.153 -1.076 0.773 4 HB3 MET 1 HB1 MET 1 7.957 -2.010 2.957 5 HG3 MET 1 HG1 MET 1 7.070 -1.113 0.201 6 HA MET 1 HA MET 1 5.644 -2.759 2.408 7 HB2 MET 1 HB2 MET 1 7.512 -0.358 2.551 8 HG2 MET 1 HG2 MET 1 7.702 -2.700 0.652 9 HE2 MET 1 HE1 MET 1 10.560 -1.076 -1.569 10 HE1 MET 1 HE2 MET 1 8.818 -0.878 -1.769 11 HE3 MET 1 HE3 MET 1 9.491 -2.469 -1.404 No H/Q in entry = 11 In of MODEL 16 1 HA GLU 2 HA GLU 2 2.913 -2.611 5.895 2 HB2 GLU 2 HB2 GLU 2 4.031 -2.699 7.943 3 HG2 GLU 2 HG2 GLU 2 6.507 -1.277 6.956 4 H GLU 2 HN GLU 2 3.913 -2.658 3.938 5 HB3 GLU 2 HB1 GLU 2 5.218 -3.280 6.792 6 HG3 GLU 2 HG1 GLU 2 5.209 -0.412 7.769 No H/Q in entry = 6 In of MODEL 16 1 HA VAL 3 HA VAL 3 3.206 2.012 7.132 2 HB VAL 3 HB VAL 3 4.911 2.917 4.779 3 H VAL 3 HN VAL 3 4.678 0.407 5.325 No H/Q in entry = 3 In of MODEL 16 1 HA SER 4 HA SER 4 0.030 3.108 4.229 2 HB2 SER 4 HB2 SER 4 -1.260 0.906 5.914 3 HG SER 4 HG SER 4 0.168 0.860 3.471 4 H SER 4 HN SER 4 1.066 1.985 6.766 5 HB3 SER 4 HB1 SER 4 -1.934 1.618 4.446 No H/Q in entry = 5 In of MODEL 16 1 HA ALA 5 HA ALA 5 -2.204 5.887 6.816 2 HB2 ALA 5 HB1 ALA 5 -4.138 5.575 4.486 3 HB3 ALA 5 HB2 ALA 5 -2.782 6.702 4.562 4 HB1 ALA 5 HB3 ALA 5 -4.144 6.889 5.667 5 H ALA 5 HN ALA 5 -2.091 4.170 4.502 No H/Q in entry = 5 In of MODEL 16 1 HA ASN 6 HA ASN 6 -4.561 3.115 9.283 2 HB2 ASN 6 HB2 ASN 6 -5.367 4.162 11.374 3 HD21 ASN 6 HD21 ASN 6 -3.383 6.809 10.317 4 HD22 ASN 6 HD22 ASN 6 -4.545 8.062 10.545 5 H ASN 6 HN ASN 6 -3.577 5.686 8.592 6 HB3 ASN 6 HB1 ASN 6 -3.733 4.684 10.981 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 7 HA GLU 7 -8.783 5.276 7.887 2 HB2 GLU 7 HB2 GLU 7 -9.142 5.813 5.513 3 HG2 GLU 7 HG2 GLU 7 -6.182 5.280 5.080 4 H GLU 7 HN GLU 7 -6.068 5.431 7.356 5 HB3 GLU 7 HB1 GLU 7 -7.800 6.751 6.164 6 HG3 GLU 7 HG1 GLU 7 -7.473 4.221 4.519 No H/Q in entry = 6 In of MODEL 16 1 HA LEU 8 HA LEU 8 -8.921 1.228 5.439 2 HB2 LEU 8 HB2 LEU 8 -6.970 -0.337 4.688 3 HG LEU 8 HG LEU 8 -5.391 2.222 5.070 4 HD13 LEU 8 HD11 LEU 8 -3.670 0.831 6.081 5 HD12 LEU 8 HD12 LEU 8 -4.663 -0.608 5.840 6 HD11 LEU 8 HD13 LEU 8 -5.197 0.656 6.947 7 HD21 LEU 8 HD21 LEU 8 -5.189 1.512 2.740 8 HD23 LEU 8 HD22 LEU 8 -4.698 -0.103 3.258 9 HD22 LEU 8 HD23 LEU 8 -3.668 1.289 3.605 10 H LEU 8 HN LEU 8 -6.705 2.914 6.257 11 HB3 LEU 8 HB1 LEU 8 -7.314 1.133 3.811 No H/Q in entry = 11 In of MODEL 16 1 HA GLU 9 HA GLU 9 -6.778 0.443 10.175 2 HB2 GLU 9 HB2 GLU 9 -8.831 -0.326 11.232 3 HG2 GLU 9 HG2 GLU 9 -10.074 -0.477 8.473 4 H GLU 9 HN GLU 9 -7.040 1.543 8.212 5 HB3 GLU 9 HB1 GLU 9 -9.197 1.069 10.228 6 HG3 GLU 9 HG1 GLU 9 -9.784 -1.833 9.558 No H/Q in entry = 6 In of MODEL 16 1 HA ALA 10 HA ALA 10 -6.579 -3.646 7.686 2 HB3 ALA 10 HB1 ALA 10 -4.499 -4.038 6.467 3 HB2 ALA 10 HB2 ALA 10 -3.820 -2.542 7.119 4 HB1 ALA 10 HB3 ALA 10 -5.206 -2.479 6.029 5 H ALA 10 HN ALA 10 -5.679 -1.007 8.010 No H/Q in entry = 5 In of MODEL 16 1 HA ALA 11 HA ALA 11 -3.234 -4.692 11.034 2 HB3 ALA 11 HB1 ALA 11 -2.746 -3.409 13.088 3 HB1 ALA 11 HB2 ALA 11 -3.841 -2.131 12.549 4 HB2 ALA 11 HB3 ALA 11 -2.371 -2.474 11.638 5 H ALA 11 HN ALA 11 -4.424 -2.286 10.097 No H/Q in entry = 5 In of MODEL 16 1 HA SER 12 HA SER 12 -6.942 -4.715 14.157 2 HB2 SER 12 HB2 SER 12 -7.649 -2.319 14.080 3 HG SER 12 HG SER 12 -9.866 -4.100 13.969 4 H SER 12 HN SER 12 -6.144 -2.905 12.096 5 HB3 SER 12 HB1 SER 12 -8.621 -2.656 12.652 No H/Q in entry = 5 In of MODEL 16 1 HA SER 13 HA SER 13 -10.256 -5.987 10.891 2 HB2 SER 13 HB2 SER 13 -10.238 -5.719 8.394 3 HG SER 13 HG SER 13 -8.515 -5.018 7.419 4 H SER 13 HN SER 13 -8.118 -4.163 10.833 5 HB3 SER 13 HB1 SER 13 -10.148 -4.171 9.245 No H/Q in entry = 5 In of MODEL 16 1 HA ARG 14 HA ARG 14 -7.015 -8.963 8.696 2 HB2 ARG 14 HB2 ARG 14 -5.077 -7.506 8.305 3 HG2 ARG 14 HG2 ARG 14 -3.151 -8.943 8.836 4 HD2 ARG 14 HD2 ARG 14 -5.563 -10.595 8.021 5 HE ARG 14 HE ARG 14 -2.817 -11.341 8.181 6 HH11 ARG 14 HH11 ARG 14 -5.644 -11.731 6.137 7 HH12 ARG 14 HH12 ARG 14 -5.061 -13.195 5.416 8 HH21 ARG 14 HH21 ARG 14 -2.077 -13.242 7.247 9 HH22 ARG 14 HH22 ARG 14 -3.030 -14.057 6.049 10 H ARG 14 HN ARG 14 -6.915 -6.333 9.649 11 HB3 ARG 14 HB1 ARG 14 -4.702 -7.492 10.017 12 HG3 ARG 14 HG1 ARG 14 -4.156 -9.904 9.922 13 HD3 ARG 14 HD1 ARG 14 -4.582 -9.613 6.927 No H/Q in entry = 13 In of MODEL 16 1 HA MET 15 HA MET 15 -5.604 -10.272 13.140 2 HB2 MET 15 HB2 MET 15 -6.448 -7.629 14.375 3 HG2 MET 15 HG2 MET 15 -3.836 -9.153 14.267 4 HE2 MET 15 HE1 MET 15 -1.697 -7.125 14.846 5 HE1 MET 15 HE2 MET 15 -1.805 -8.659 15.719 6 HE3 MET 15 HE3 MET 15 -1.567 -7.151 16.606 7 H MET 15 HN MET 15 -6.177 -7.777 11.969 8 HB3 MET 15 HB1 MET 15 -6.107 -9.046 15.364 9 HG3 MET 15 HG1 MET 15 -4.195 -7.586 13.541 No H/Q in entry = 9 In of MODEL 16 1 HA GLU 16 HA GLU 16 -10.221 -10.320 14.481 2 HB2 GLU 16 HB2 GLU 16 -11.054 -8.326 12.331 3 HG2 GLU 16 HG2 GLU 16 -11.156 -8.106 15.358 4 H GLU 16 HN GLU 16 -8.676 -8.554 12.846 5 HB3 GLU 16 HB1 GLU 16 -12.181 -9.158 13.407 6 HG3 GLU 16 HG1 GLU 16 -9.938 -7.337 14.339 No H/Q in entry = 6 In of MODEL 16 1 HA MET 17 HA MET 17 -11.131 -12.366 10.194 2 HB2 MET 17 HB2 MET 17 -8.553 -11.308 8.948 3 HG2 MET 17 HG2 MET 17 -10.266 -9.610 8.782 4 HE3 MET 17 HE1 MET 17 -13.278 -12.659 6.989 5 HE2 MET 17 HE2 MET 17 -11.700 -13.150 7.600 6 HE1 MET 17 HE3 MET 17 -11.813 -12.165 6.138 7 H MET 17 HN MET 17 -9.540 -10.163 11.007 8 HB3 MET 17 HB1 MET 17 -9.609 -12.504 8.203 9 HG3 MET 17 HG1 MET 17 -10.023 -10.356 7.204 No H/Q in entry = 9 In of MODEL 16 1 HA LEU 18 HA LEU 18 -7.040 -14.822 11.119 2 HB2 LEU 18 HB2 LEU 18 -6.004 -12.713 13.045 3 HG LEU 18 HG LEU 18 -5.620 -12.134 10.631 4 HD11 LEU 18 HD11 LEU 18 -4.070 -11.329 12.332 5 HD13 LEU 18 HD12 LEU 18 -3.232 -11.662 10.821 6 HD12 LEU 18 HD13 LEU 18 -3.097 -12.794 12.170 7 HD22 LEU 18 HD21 LEU 18 -4.059 -13.462 9.283 8 HD21 LEU 18 HD22 LEU 18 -5.501 -14.388 9.686 9 HD23 LEU 18 HD23 LEU 18 -3.990 -14.692 10.548 10 H LEU 18 HN LEU 18 -7.838 -12.114 11.500 11 HB3 LEU 18 HB1 LEU 18 -5.218 -14.262 12.770 No H/Q in entry = 11 In of MODEL 16 1 HA GLN 19 HA GLN 19 -8.720 -15.074 15.734 2 HB2 GLN 19 HB2 GLN 19 -10.823 -12.986 15.027 3 HG2 GLN 19 HG2 GLN 19 -8.810 -12.958 17.295 4 HE21 GLN 19 HE21 GLN 19 -8.605 -10.050 16.780 5 HE22 GLN 19 HE22 GLN 19 -10.013 -9.357 17.502 6 H GLN 19 HN GLN 19 -8.751 -13.134 13.688 7 HB3 GLN 19 HB1 GLN 19 -10.884 -13.955 16.496 8 HG3 GLN 19 HG1 GLN 19 -8.615 -12.075 15.784 No H/Q in entry = 8 In of MODEL 16 1 HA ARG 20 HA ARG 20 -12.514 -16.974 13.676 2 HB2 ARG 20 HB2 ARG 20 -14.095 -16.209 11.976 3 HG2 ARG 20 HG2 ARG 20 -12.018 -14.108 11.299 4 HD2 ARG 20 HD2 ARG 20 -14.083 -12.872 11.610 5 HE ARG 20 HE ARG 20 -15.379 -15.116 10.322 6 HH11 ARG 20 HH11 ARG 20 -15.703 -11.689 11.036 7 HH12 ARG 20 HH12 ARG 20 -17.436 -11.717 10.967 8 HH21 ARG 20 HH21 ARG 20 -17.646 -15.127 10.234 9 HH22 ARG 20 HH22 ARG 20 -18.535 -13.660 10.495 10 H ARG 20 HN ARG 20 -11.013 -14.526 13.058 11 HB3 ARG 20 HB1 ARG 20 -13.712 -14.890 13.078 12 HG3 ARG 20 HG1 ARG 20 -12.808 -15.248 10.205 13 HD3 ARG 20 HD1 ARG 20 -13.729 -13.015 9.885 No H/Q in entry = 13 In of MODEL 16 1 HA GLU 21 HA GLU 21 -10.165 -18.148 9.662 2 HB2 GLU 21 HB2 GLU 21 -8.834 -16.110 9.262 3 HG2 GLU 21 HG2 GLU 21 -6.673 -16.969 8.445 4 H GLU 21 HN GLU 21 -9.806 -16.204 11.793 5 HB3 GLU 21 HB1 GLU 21 -7.731 -16.540 10.554 6 HG3 GLU 21 HG1 GLU 21 -6.987 -18.507 9.246 No H/Q in entry = 6 In of MODEL 16 1 HA TYR 22 HA TYR 22 -7.152 -20.717 12.091 2 HB2 TYR 22 HB2 TYR 22 -5.583 -18.595 13.620 3 HD1 TYR 22 HD1 TYR 22 -4.259 -17.076 12.421 4 HD2 TYR 22 HD2 TYR 22 -5.381 -20.730 10.508 5 HE1 TYR 22 HE1 TYR 22 -3.109 -16.362 10.371 6 HE2 TYR 22 HE2 TYR 22 -4.228 -20.013 8.463 7 HH TYR 22 HH TYR 22 -2.066 -17.439 8.352 8 H TYR 22 HN TYR 22 -7.599 -17.824 12.139 9 HB3 TYR 22 HB1 TYR 22 -5.088 -20.254 13.304 No H/Q in entry = 9 In of MODEL 16 1 HA SER 23 HA SER 23 -8.994 -19.720 16.401 2 HB2 SER 23 HB2 SER 23 -6.140 -20.594 17.090 3 HG SER 23 HG SER 23 -8.368 -21.883 15.997 4 H SER 23 HN SER 23 -6.823 -18.579 14.918 5 HB3 SER 23 HB1 SER 23 -7.539 -20.834 18.141 No H/Q in entry = 5 In of MODEL 16 1 HA THR 24 HA THR 24 -7.405 -16.471 19.100 2 HB THR 24 HB THR 24 -9.179 -15.808 20.748 3 HG1 THR 24 HG1 THR 24 -10.715 -17.179 21.226 4 HG21 THR 24 HG21 THR 24 -9.283 -14.859 18.472 5 HG23 THR 24 HG22 THR 24 -10.902 -15.100 19.131 6 HG22 THR 24 HG23 THR 24 -10.259 -16.230 17.938 7 H THR 24 HN THR 24 -9.174 -18.766 18.513 No H/Q in entry = 7 In of MODEL 16 1 HA LEU 25 HA LEU 25 -6.051 -18.863 22.576 2 HB2 LEU 25 HB2 LEU 25 -4.415 -16.881 22.150 3 HG LEU 25 HG LEU 25 -4.445 -17.997 24.981 4 HD12 LEU 25 HD11 LEU 25 -3.087 -19.048 22.481 5 HD11 LEU 25 HD12 LEU 25 -4.461 -19.787 23.312 6 HD13 LEU 25 HD13 LEU 25 -2.899 -19.687 24.115 7 HD21 LEU 25 HD21 LEU 25 -2.186 -16.745 23.378 8 HD23 LEU 25 HD22 LEU 25 -2.030 -17.500 24.967 9 HD22 LEU 25 HD23 LEU 25 -2.987 -16.030 24.784 10 H LEU 25 HN LEU 25 -6.726 -16.276 21.368 11 HB3 LEU 25 HB1 LEU 25 -5.175 -16.114 23.533 No H/Q in entry = 11 In of MODEL 16 1 HA ARG 26 HA ARG 26 -9.256 -17.987 25.533 2 HB2 ARG 26 HB2 ARG 26 -10.259 -20.016 26.389 3 HG2 ARG 26 HG2 ARG 26 -7.995 -21.657 25.212 4 HD2 ARG 26 HD2 ARG 26 -10.210 -22.793 25.240 5 HE ARG 26 HE ARG 26 -10.872 -21.587 27.466 6 HH11 ARG 26 HH11 ARG 26 -10.029 -24.982 27.155 7 HH12 ARG 26 HH12 ARG 26 -11.054 -25.459 28.467 8 HH21 ARG 26 HH21 ARG 26 -12.197 -22.255 29.170 9 HH22 ARG 26 HH22 ARG 26 -12.266 -23.935 29.594 10 H ARG 26 HN ARG 26 -7.171 -19.669 24.313 11 HB3 ARG 26 HB1 ARG 26 -9.901 -20.242 24.684 12 HG3 ARG 26 HG1 ARG 26 -8.163 -21.315 26.932 13 HD3 ARG 26 HD1 ARG 26 -9.030 -23.558 26.315 No H/Q in entry = 13 In of MODEL 16 1 HA SER 27 HA SER 27 -6.186 -18.524 29.048 2 HB2 SER 27 HB2 SER 27 -6.421 -21.574 28.835 3 HG SER 27 HG SER 27 -8.263 -19.596 29.496 4 H SER 27 HN SER 27 -6.364 -19.834 26.448 5 HB3 SER 27 HB1 SER 27 -6.095 -20.660 30.311 No H/Q in entry = 5 In of MODEL 16 1 HA VAL 28 HA VAL 28 -2.074 -20.362 28.562 2 HB VAL 28 HB VAL 28 -1.697 -17.560 29.719 3 H VAL 28 HN VAL 28 -4.142 -18.877 30.049 No H/Q in entry = 3 In of MODEL 16 1 HA GLN 29 HA GLN 29 -1.101 -21.253 32.818 2 HB2 GLN 29 HB2 GLN 29 -1.237 -23.701 33.199 3 HG2 GLN 29 HG2 GLN 29 -1.840 -23.953 30.244 4 HE21 GLN 29 HE21 GLN 29 -0.790 -26.649 30.289 5 HE22 GLN 29 HE22 GLN 29 -1.982 -27.639 31.045 6 H GLN 29 HN GLN 29 -1.318 -21.835 29.917 7 HB3 GLN 29 HB1 GLN 29 -2.679 -23.102 32.382 8 HG3 GLN 29 HG1 GLN 29 -0.366 -24.513 31.023 No H/Q in entry = 8 In of MODEL 16 1 HA TYR 30 HA TYR 30 3.199 -21.948 31.892 2 HB2 TYR 30 HB2 TYR 30 3.458 -19.803 33.056 3 HD1 TYR 30 HD1 TYR 30 4.914 -21.581 35.871 4 HD2 TYR 30 HD2 TYR 30 5.582 -20.520 31.791 5 HE1 TYR 30 HE1 TYR 30 7.287 -22.144 36.114 6 HE2 TYR 30 HE2 TYR 30 7.966 -21.069 32.046 7 HH TYR 30 HH TYR 30 9.636 -21.275 33.799 8 H TYR 30 HN TYR 30 0.942 -21.067 33.508 9 HB3 TYR 30 HB1 TYR 30 3.125 -20.558 34.608 No H/Q in entry = 9 In of MODEL 16 1 HA ARG 31 HA ARG 31 3.155 -25.755 34.263 2 HB2 ARG 31 HB2 ARG 31 4.413 -26.348 31.551 3 HG2 ARG 31 HG2 ARG 31 1.718 -27.191 32.693 4 HD2 ARG 31 HD2 ARG 31 2.930 -27.858 29.995 5 HE ARG 31 HE ARG 31 0.588 -28.004 29.747 6 HH11 ARG 31 HH11 ARG 31 1.680 -30.079 32.372 7 HH12 ARG 31 HH12 ARG 31 0.276 -31.091 32.314 8 HH21 ARG 31 HH21 ARG 31 -1.240 -29.378 29.670 9 HH22 ARG 31 HH22 ARG 31 -1.384 -30.692 30.798 10 H ARG 31 HN ARG 31 3.623 -24.083 31.936 11 HB3 ARG 31 HB1 ARG 31 4.198 -27.553 32.818 12 HG3 ARG 31 HG1 ARG 31 1.977 -26.072 31.346 13 HD3 ARG 31 HD1 ARG 31 2.864 -28.985 31.356 No H/Q in entry = 13 In of MODEL 16 1 HA SER 32 HA SER 32 7.237 -24.556 35.661 2 HB2 SER 32 HB2 SER 32 7.253 -24.866 38.179 3 HG SER 32 HG SER 32 4.651 -25.156 38.535 4 H SER 32 HN SER 32 4.522 -25.491 35.924 5 HB3 SER 32 HB1 SER 32 5.946 -23.842 37.586 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 33 HA GLU 33 7.898 -29.264 36.712 2 HB2 GLU 33 HB2 GLU 33 5.621 -30.048 37.045 3 HG2 GLU 33 HG2 GLU 33 6.757 -31.766 34.824 4 H GLU 33 HN GLU 33 5.658 -27.652 36.028 5 HB3 GLU 33 HB1 GLU 33 5.259 -29.901 35.330 6 HG3 GLU 33 HG1 GLU 33 7.258 -31.846 36.513 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 34 HA GLU 34 8.574 -29.552 32.053 2 HB2 GLU 34 HB2 GLU 34 6.300 -27.719 31.183 3 HG2 GLU 34 HG2 GLU 34 5.446 -29.764 32.342 4 H GLU 34 HN GLU 34 6.589 -28.102 33.676 5 HB3 GLU 34 HB1 GLU 34 7.269 -28.756 30.135 6 HG3 GLU 34 HG1 GLU 34 4.981 -29.629 30.648 No H/Q in entry = 6 In of MODEL 16 1 HA3 GLY 35 HA2 GLY 35 9.311 -24.543 33.540 2 H GLY 35 HN GLY 35 8.107 -26.488 33.524 3 HA2 GLY 35 HA1 GLY 35 10.546 -25.348 32.590 No H/Q in entry = 3 In of MODEL 16 1 HA VAL 36 HA VAL 36 8.162 -23.313 29.228 2 HB VAL 36 HB VAL 36 6.810 -24.534 27.596 3 H VAL 36 HN VAL 36 7.302 -25.238 31.326 No H/Q in entry = 3 In of MODEL 16 1 HA ILE 37 HA ILE 37 4.171 -21.451 29.951 2 HB ILE 37 HB ILE 37 5.129 -19.829 27.547 3 HD12 ILE 37 HD11 ILE 37 5.559 -17.220 29.193 4 HD11 ILE 37 HD12 ILE 37 6.712 -17.845 28.008 5 HD13 ILE 37 HD13 ILE 37 7.227 -17.538 29.665 6 H ILE 37 HN ILE 37 6.574 -21.959 28.338 No H/Q in entry = 6 In of MODEL 16 1 HA VAL 38 HA VAL 38 2.078 -23.523 26.603 2 HB VAL 38 HB VAL 38 0.791 -24.277 29.250 3 H VAL 38 HN VAL 38 2.454 -22.581 29.354 No H/Q in entry = 3 In of MODEL 16 1 HA PHE 39 HA PHE 39 -1.160 -20.509 26.191 2 HB2 PHE 39 HB2 PHE 39 0.088 -20.943 23.434 3 HD1 PHE 39 HD1 PHE 39 -0.219 -17.770 25.268 4 HD2 PHE 39 HD2 PHE 39 2.438 -20.926 24.159 5 HE1 PHE 39 HE1 PHE 39 1.703 -16.389 25.930 6 HE2 PHE 39 HE2 PHE 39 4.355 -19.549 24.828 7 HZ PHE 39 HZ PHE 39 3.989 -17.273 25.714 8 H PHE 39 HN PHE 39 0.766 -22.530 25.288 9 HB3 PHE 39 HB1 PHE 39 -0.995 -19.631 23.874 No H/Q in entry = 9 In of MODEL 16 1 HA ILE 40 HA ILE 40 -3.819 -23.952 24.925 2 HB ILE 40 HB ILE 40 -5.354 -22.597 27.191 3 HD12 ILE 40 HD11 ILE 40 -5.461 -25.327 28.856 4 HD11 ILE 40 HD12 ILE 40 -5.104 -23.742 29.550 5 HD13 ILE 40 HD13 ILE 40 -3.947 -25.060 29.719 6 H ILE 40 HN ILE 40 -2.936 -21.808 26.642 No H/Q in entry = 6 In of MODEL 16 1 HA LEU 41 HA LEU 41 -5.949 -21.122 22.196 2 HB2 LEU 41 HB2 LEU 41 -5.777 -23.893 20.950 3 HG LEU 41 HG LEU 41 -3.629 -22.696 20.842 4 HD13 LEU 41 HD11 LEU 41 -3.268 -22.634 18.421 5 HD12 LEU 41 HD12 LEU 41 -5.012 -22.636 18.140 6 HD11 LEU 41 HD13 LEU 41 -4.233 -24.037 18.877 7 HD22 LEU 41 HD21 LEU 41 -4.424 -20.420 21.161 8 HD21 LEU 41 HD22 LEU 41 -5.186 -20.429 19.569 9 HD23 LEU 41 HD23 LEU 41 -3.428 -20.526 19.711 10 H LEU 41 HN LEU 41 -4.644 -23.504 23.007 11 HB3 LEU 41 HB1 LEU 41 -6.595 -22.552 20.161 No H/Q in entry = 11 In of MODEL 16 1 HA ALA 42 HA ALA 42 -10.189 -21.787 23.068 2 HB3 ALA 42 HB1 ALA 42 -11.774 -21.076 21.318 3 HB1 ALA 42 HB2 ALA 42 -10.474 -21.100 20.122 4 HB2 ALA 42 HB3 ALA 42 -10.424 -19.948 21.458 5 H ALA 42 HN ALA 42 -8.172 -21.105 21.223 No H/Q in entry = 5 In of MODEL 16 1 HA ASN 43 HA ASN 43 -10.753 -25.743 20.470 2 HB2 ASN 43 HB2 ASN 43 -9.469 -26.708 18.607 3 HD21 ASN 43 HD21 ASN 43 -8.246 -23.475 18.180 4 HD22 ASN 43 HD22 ASN 43 -6.582 -23.907 18.056 5 H ASN 43 HN ASN 43 -8.874 -23.514 20.301 6 HB3 ASN 43 HB1 ASN 43 -9.890 -25.040 18.262 No H/Q in entry = 6 In of MODEL 16 1 HA ASP 44 HA ASP 44 -7.589 -25.772 24.330 2 HB2 ASP 44 HB2 ASP 44 -8.824 -28.395 23.401 3 H ASP 44 HN ASP 44 -8.575 -24.868 22.548 4 HB3 ASP 44 HB1 ASP 44 -8.103 -28.126 24.986 No H/Q in entry = 4 In of MODEL 16 1 HA ARG 45 HA ARG 45 -4.282 -27.922 21.782 2 HB2 ARG 45 HB2 ARG 45 -4.897 -27.060 19.578 3 HG2 ARG 45 HG2 ARG 45 -2.052 -26.268 20.282 4 HD2 ARG 45 HD2 ARG 45 -3.254 -26.782 17.545 5 HE ARG 45 HE ARG 45 -0.637 -27.032 18.299 6 HH11 ARG 45 HH11 ARG 45 -2.349 -24.929 16.054 7 HH12 ARG 45 HH12 ARG 45 -0.983 -24.771 14.995 8 HH21 ARG 45 HH21 ARG 45 1.131 -26.791 16.927 9 HH22 ARG 45 HH22 ARG 45 0.998 -25.811 15.504 10 H ARG 45 HN ARG 45 -6.250 -25.799 21.604 11 HB3 ARG 45 HB1 ARG 45 -4.412 -25.432 20.041 12 HG3 ARG 45 HG1 ARG 45 -2.592 -27.833 19.663 13 HD3 ARG 45 HD1 ARG 45 -2.805 -25.193 18.179 No H/Q in entry = 13 In of MODEL 16 1 HA GLU 46 HA GLU 46 -1.775 -25.488 24.552 2 HB2 GLU 46 HB2 GLU 46 -0.709 -28.335 24.581 3 HG2 GLU 46 HG2 GLU 46 -2.541 -26.874 26.508 4 H GLU 46 HN GLU 46 -2.630 -27.867 23.174 5 HB3 GLU 46 HB1 GLU 46 -0.153 -27.048 25.650 6 HG3 GLU 46 HG1 GLU 46 -2.906 -28.335 25.586 No H/Q in entry = 6 In of MODEL 16 1 HA LEU 47 HA LEU 47 1.525 -24.869 21.537 2 HB2 LEU 47 HB2 LEU 47 0.265 -22.205 22.180 3 HG LEU 47 HG LEU 47 -0.691 -23.474 20.246 4 HD12 LEU 47 HD11 LEU 47 -0.549 -21.671 18.569 5 HD11 LEU 47 HD12 LEU 47 0.810 -20.962 19.444 6 HD13 LEU 47 HD13 LEU 47 -0.785 -21.032 20.197 7 HD21 LEU 47 HD21 LEU 47 1.338 -24.727 19.606 8 HD23 LEU 47 HD22 LEU 47 2.096 -23.231 19.048 9 HD22 LEU 47 HD23 LEU 47 0.662 -23.856 18.225 10 H LEU 47 HN LEU 47 -0.708 -24.044 23.198 11 HB3 LEU 47 HB1 LEU 47 1.849 -22.258 21.421 No H/Q in entry = 11 In of MODEL 16 1 HA LYS 48 HA LYS 48 4.058 -24.591 25.135 2 HB2 LYS 48 HB2 LYS 48 3.783 -26.975 24.708 3 HG2 LYS 48 HG2 LYS 48 6.770 -26.452 24.890 4 HD2 LYS 48 HD2 LYS 48 6.173 -28.841 24.462 5 HE2 LYS 48 HE2 LYS 48 4.729 -28.691 27.132 6 HZ1 LYS 48 HZ1 LYS 48 5.874 -30.780 26.768 7 HZ3 LYS 48 HZ2 LYS 48 5.105 -30.972 25.274 8 HZ2 LYS 48 HZ3 LYS 48 4.199 -30.984 26.705 9 H LYS 48 HN LYS 48 3.441 -25.271 22.329 10 HB3 LYS 48 HB1 LYS 48 4.903 -26.903 23.352 11 HG3 LYS 48 HG1 LYS 48 5.660 -26.437 26.261 12 HD3 LYS 48 HD1 LYS 48 6.929 -28.583 26.035 13 HE3 LYS 48 HE1 LYS 48 3.936 -28.884 25.567 No H/Q in entry = 13 In of MODEL 16 1 HA PHE 49 HA PHE 49 7.819 -22.763 23.625 2 HB2 PHE 49 HB2 PHE 49 5.804 -20.467 23.814 3 HD1 PHE 49 HD1 PHE 49 8.116 -20.767 21.014 4 HD2 PHE 49 HD2 PHE 49 4.206 -21.835 22.392 5 HE1 PHE 49 HE1 PHE 49 7.421 -21.241 18.701 6 HE2 PHE 49 HE2 PHE 49 3.525 -22.309 20.078 7 HZ PHE 49 HZ PHE 49 5.130 -22.012 18.231 8 H PHE 49 HN PHE 49 5.270 -22.799 25.123 9 HB3 PHE 49 HB1 PHE 49 7.465 -20.264 23.281 No H/Q in entry = 9 In of MODEL 16 1 HA ARG 50 HA ARG 50 9.120 -21.916 27.749 2 HB2 ARG 50 HB2 ARG 50 11.621 -21.767 26.020 3 HG2 ARG 50 HG2 ARG 50 10.615 -23.945 27.869 4 HD2 ARG 50 HD2 ARG 50 13.136 -23.905 26.183 5 HE ARG 50 HE ARG 50 11.764 -26.106 27.100 6 HH11 ARG 50 HH11 ARG 50 14.978 -24.814 27.655 7 HH12 ARG 50 HH12 ARG 50 15.679 -26.366 27.973 8 HH21 ARG 50 HH21 ARG 50 12.686 -28.138 27.493 9 HH22 ARG 50 HH22 ARG 50 14.373 -28.258 27.882 10 H ARG 50 HN ARG 50 9.515 -22.104 24.895 11 HB3 ARG 50 HB1 ARG 50 11.656 -21.691 27.780 12 HG3 ARG 50 HG1 ARG 50 10.688 -24.029 26.106 13 HD3 ARG 50 HD1 ARG 50 13.094 -23.721 27.943 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 51 HA PRO 51 9.268 -17.470 28.594 2 HB2 PRO 51 HB2 PRO 51 11.688 -18.129 30.292 3 HG2 PRO 51 HG2 PRO 51 10.430 -19.578 31.647 4 HD2 PRO 51 HD2 PRO 51 10.777 -20.903 29.756 5 HB3 PRO 51 HB1 PRO 51 10.288 -17.109 30.674 6 HG3 PRO 51 HG1 PRO 51 8.880 -18.955 31.042 7 HD3 PRO 51 HD1 PRO 51 9.000 -20.860 29.717 No H/Q in entry = 7 In of MODEL 16 1 HA ASP 52 HA ASP 52 13.596 -16.307 27.203 2 HB2 ASP 52 HB2 ASP 52 15.019 -18.939 27.791 3 H ASP 52 HN ASP 52 12.598 -18.812 28.319 4 HB3 ASP 52 HB1 ASP 52 15.820 -17.424 27.354 No H/Q in entry = 4 In of MODEL 16 1 HA ASP 53 HA ASP 53 13.268 -18.880 23.303 2 HB2 ASP 53 HB2 ASP 53 12.227 -20.918 24.329 3 H ASP 53 HN ASP 53 11.959 -18.804 25.901 4 HB3 ASP 53 HB1 ASP 53 10.663 -20.128 24.275 No H/Q in entry = 4 In of MODEL 16 1 HA LEU 54 HA LEU 54 9.808 -15.815 22.515 2 HB2 LEU 54 HB2 LEU 54 8.660 -15.905 25.335 3 HG LEU 54 HG LEU 54 8.499 -18.131 24.175 4 HD12 LEU 54 HD11 LEU 54 5.864 -16.684 24.564 5 HD11 LEU 54 HD12 LEU 54 6.829 -17.464 25.821 6 HD13 LEU 54 HD13 LEU 54 6.101 -18.435 24.545 7 HD21 LEU 54 HD21 LEU 54 6.883 -16.599 22.100 8 HD23 LEU 54 HD22 LEU 54 7.030 -18.357 22.196 9 HD22 LEU 54 HD23 LEU 54 8.450 -17.378 21.845 10 H LEU 54 HN LEU 54 10.986 -16.976 24.984 11 HB3 LEU 54 HB1 LEU 54 7.887 -15.158 23.939 No H/Q in entry = 11 In of MODEL 16 1 HA GLN 55 HA GLN 55 11.472 -11.928 23.587 2 HB2 GLN 55 HB2 GLN 55 10.337 -11.334 21.493 3 HG2 GLN 55 HG2 GLN 55 9.818 -9.180 23.564 4 HE21 GLN 55 HE21 GLN 55 11.378 -7.379 21.856 5 HE22 GLN 55 HE22 GLN 55 10.314 -6.906 20.578 6 H GLN 55 HN GLN 55 9.291 -13.514 22.632 7 HB3 GLN 55 HB1 GLN 55 8.821 -11.072 22.351 8 HG3 GLN 55 HG1 GLN 55 11.358 -9.450 22.750 No H/Q in entry = 8 In of MODEL 16 1 HA ALA 56 HA ALA 56 7.747 -10.020 26.226 2 HB2 ALA 56 HB1 ALA 56 5.813 -11.375 25.470 3 HB3 ALA 56 HB2 ALA 56 5.831 -11.271 27.234 4 HB1 ALA 56 HB3 ALA 56 6.374 -12.745 26.424 5 H ALA 56 HN ALA 56 8.001 -12.070 24.410 No H/Q in entry = 5 In of MODEL 16 1 HA THR 57 HA THR 57 9.221 -12.802 29.673 2 HB THR 57 HB THR 57 8.903 -15.333 29.756 3 HG1 THR 57 HG1 THR 57 9.327 -15.414 27.317 4 HG22 THR 57 HG21 THR 57 6.663 -13.701 28.542 5 HG21 THR 57 HG22 THR 57 7.085 -13.751 30.252 6 HG23 THR 57 HG23 THR 57 6.469 -15.199 29.453 7 H THR 57 HN THR 57 8.901 -13.269 26.777 No H/Q in entry = 7 In of MODEL 16 1 HA TYR 58 HA TYR 58 13.238 -14.411 27.646 2 HB2 TYR 58 HB2 TYR 58 12.950 -12.790 25.701 3 HD1 TYR 58 HD1 TYR 58 14.506 -15.038 25.789 4 HD2 TYR 58 HD2 TYR 58 15.895 -11.038 26.335 5 HE1 TYR 58 HE1 TYR 58 16.742 -15.729 25.077 6 HE2 TYR 58 HE2 TYR 58 18.145 -11.723 25.617 7 HH TYR 58 HH TYR 58 19.504 -13.730 25.481 8 H TYR 58 HN TYR 58 11.226 -12.401 27.382 9 HB3 TYR 58 HB1 TYR 58 13.599 -11.519 26.737 No H/Q in entry = 9 In of MODEL 16 1 HA3 GLY 59 HA2 GLY 59 14.898 -14.444 31.749 2 H GLY 59 HN GLY 59 13.671 -14.752 29.809 3 HA2 GLY 59 HA1 GLY 59 15.244 -12.788 31.284 No H/Q in entry = 3 In of MODEL 16 1 HA ALA 60 HA ALA 60 11.301 -12.392 33.708 2 HB3 ALA 60 HB1 ALA 60 8.946 -12.697 33.095 3 HB1 ALA 60 HB2 ALA 60 9.403 -13.782 31.777 4 HB2 ALA 60 HB3 ALA 60 9.870 -12.081 31.723 5 H ALA 60 HN ALA 60 11.949 -14.070 31.359 No H/Q in entry = 5 In of MODEL 16 1 HA THR 61 HA THR 61 11.201 -15.989 36.194 2 HB THR 61 HB THR 61 10.514 -15.271 38.554 3 HG1 THR 61 HG1 THR 61 10.471 -12.618 37.627 4 HG23 THR 61 HG21 THR 61 12.427 -13.756 38.916 5 HG22 THR 61 HG22 THR 61 12.552 -13.477 37.179 6 HG21 THR 61 HG23 THR 61 12.883 -15.081 37.839 7 H THR 61 HN THR 61 10.562 -13.244 35.584 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 62 HA PRO 62 7.185 -17.927 35.823 2 HB2 PRO 62 HB2 PRO 62 7.124 -19.533 38.122 3 HG2 PRO 62 HG2 PRO 62 9.064 -18.708 39.127 4 HD2 PRO 62 HD2 PRO 62 10.666 -17.487 37.941 5 HB3 PRO 62 HB1 PRO 62 7.955 -19.938 36.617 6 HG3 PRO 62 HG1 PRO 62 9.753 -19.995 38.112 7 HD3 PRO 62 HD1 PRO 62 10.485 -18.475 36.472 No H/Q in entry = 7 In of MODEL 16 1 HA GLU 63 HA GLU 63 5.183 -16.047 39.814 2 HB2 GLU 63 HB2 GLU 63 5.924 -14.150 41.178 3 HG2 GLU 63 HG2 GLU 63 8.447 -14.120 39.490 4 H GLU 63 HN GLU 63 7.830 -16.065 38.730 5 HB3 GLU 63 HB1 GLU 63 7.163 -15.402 41.155 6 HG3 GLU 63 HG1 GLU 63 7.205 -12.873 39.481 No H/Q in entry = 6 In of MODEL 16 1 HA GLN 64 HA GLN 64 4.794 -12.185 36.975 2 HB2 GLN 64 HB2 GLN 64 7.110 -13.040 35.186 3 HG2 GLN 64 HG2 GLN 64 6.980 -10.832 37.263 4 HE21 GLN 64 HE21 GLN 64 7.473 -9.160 35.778 5 HE22 GLN 64 HE22 GLN 64 9.029 -9.025 35.040 6 H GLN 64 HN GLN 64 6.809 -14.219 37.334 7 HB3 GLN 64 HB1 GLN 64 6.168 -11.563 35.001 8 HG3 GLN 64 HG1 GLN 64 8.005 -12.265 37.305 No H/Q in entry = 8 In of MODEL 16 1 HA LEU 65 HA LEU 65 3.450 -15.304 33.595 2 HB2 LEU 65 HB2 LEU 65 5.144 -17.633 34.659 3 HG LEU 65 HG LEU 65 6.752 -15.836 34.195 4 HD13 LEU 65 HD11 LEU 65 8.118 -16.879 32.472 5 HD12 LEU 65 HD12 LEU 65 6.738 -17.837 31.922 6 HD11 LEU 65 HD13 LEU 65 7.408 -18.092 33.536 7 HD23 LEU 65 HD21 LEU 65 5.423 -15.555 31.485 8 HD22 LEU 65 HD22 LEU 65 6.895 -14.734 32.018 9 HD21 LEU 65 HD23 LEU 65 5.366 -14.392 32.815 10 H LEU 65 HN LEU 65 5.267 -15.397 35.960 11 HB3 LEU 65 HB1 LEU 65 4.432 -17.456 33.057 No H/Q in entry = 11 In of MODEL 16 1 HA ARG 66 HA ARG 66 0.864 -17.401 36.850 2 HB2 ARG 66 HB2 ARG 66 1.483 -15.112 38.773 3 HG2 ARG 66 HG2 ARG 66 2.267 -18.028 39.054 4 HD2 ARG 66 HD2 ARG 66 2.678 -15.627 40.870 5 HE ARG 66 HE ARG 66 3.880 -18.294 41.004 6 HH11 ARG 66 HH11 ARG 66 3.394 -15.177 42.544 7 HH12 ARG 66 HH12 ARG 66 4.636 -15.431 43.723 8 HH21 ARG 66 HH21 ARG 66 5.504 -18.626 42.554 9 HH22 ARG 66 HH22 ARG 66 5.845 -17.398 43.733 10 H ARG 66 HN ARG 66 2.832 -15.221 36.661 11 HB3 ARG 66 HB1 ARG 66 0.367 -16.439 39.088 12 HG3 ARG 66 HG1 ARG 66 3.373 -16.686 38.741 13 HD3 ARG 66 HD1 ARG 66 1.617 -16.999 41.200 No H/Q in entry = 13 In of MODEL 16 1 HA GLU 67 HA GLU 67 -1.887 -13.602 36.577 2 HB2 GLU 67 HB2 GLU 67 -1.367 -11.072 36.910 3 HG2 GLU 67 HG2 GLU 67 1.121 -12.126 38.274 4 H GLU 67 HN GLU 67 0.960 -13.836 37.140 5 HB3 GLU 67 HB1 GLU 67 -1.273 -12.134 38.309 6 HG3 GLU 67 HG1 GLU 67 1.161 -11.350 36.690 No H/Q in entry = 6 In of MODEL 16 1 HA ILE 68 HA ILE 68 -0.856 -12.736 32.350 2 HB ILE 68 HB ILE 68 -1.681 -15.665 32.598 3 HD11 ILE 68 HD11 ILE 68 0.633 -16.898 31.106 4 HD13 ILE 68 HD12 ILE 68 0.303 -17.272 32.803 5 HD12 ILE 68 HD13 ILE 68 1.903 -16.717 32.312 6 H ILE 68 HN ILE 68 -2.048 -14.277 34.572 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 69 HA GLU 69 -5.137 -12.646 30.868 2 HB2 GLU 69 HB2 GLU 69 -4.738 -10.400 31.905 3 HG2 GLU 69 HG2 GLU 69 -5.998 -10.120 29.164 4 H GLU 69 HN GLU 69 -2.248 -11.997 30.765 5 HB3 GLU 69 HB1 GLU 69 -3.893 -9.874 30.454 6 HG3 GLU 69 HG1 GLU 69 -6.832 -10.612 30.637 No H/Q in entry = 6 In of MODEL 16 1 HA ILE 70 HA ILE 70 -4.449 -13.157 26.499 2 HB ILE 70 HB ILE 70 -7.437 -12.517 26.554 3 HD11 ILE 70 HD11 ILE 70 -5.476 -15.670 25.615 4 HD13 ILE 70 HD12 ILE 70 -5.932 -16.495 27.103 5 HD12 ILE 70 HD13 ILE 70 -4.788 -15.157 27.159 6 H ILE 70 HN ILE 70 -6.164 -12.444 28.709 No H/Q in entry = 6 In of MODEL 16 1 HA SER 71 HA SER 71 -3.213 -9.388 24.836 2 HB2 SER 71 HB2 SER 71 -3.112 -9.305 22.326 3 HG SER 71 HG SER 71 -4.580 -11.739 22.498 4 H SER 71 HN SER 71 -4.224 -11.944 24.501 5 HB3 SER 71 HB1 SER 71 -2.520 -10.830 22.990 No H/Q in entry = 5 In of MODEL 16 1 HA PRO 72 HA PRO 72 -6.732 -6.553 24.291 2 HB2 PRO 72 HB2 PRO 72 -5.475 -4.373 23.218 3 HG2 PRO 72 HG2 PRO 72 -3.473 -5.473 22.563 4 HD2 PRO 72 HD2 PRO 72 -2.734 -7.416 23.648 5 HB3 PRO 72 HB1 PRO 72 -5.271 -4.843 24.916 6 HG3 PRO 72 HG1 PRO 72 -3.034 -4.790 24.147 7 HD3 PRO 72 HD1 PRO 72 -3.271 -6.855 25.248 No H/Q in entry = 7 In of MODEL 16 1 HA SER 73 HA SER 73 -6.504 -6.935 19.516 2 HB2 SER 73 HB2 SER 73 -4.229 -8.969 19.558 3 HG SER 73 HG SER 73 -3.888 -6.432 18.480 4 H SER 73 HN SER 73 -4.736 -7.682 21.684 5 HB3 SER 73 HB1 SER 73 -4.962 -8.233 18.129 No H/Q in entry = 5 In of MODEL 16 1 HA3 GLY 74 HA2 GLY 74 -7.701 -11.237 22.331 2 H GLY 74 HN GLY 74 -6.266 -9.516 21.822 3 HA2 GLY 74 HA1 GLY 74 -8.719 -10.773 20.996 No H/Q in entry = 3 In of MODEL 16 1 HA LEU 75 HA LEU 75 -6.067 -13.870 18.825 2 HB2 LEU 75 HB2 LEU 75 -3.865 -11.813 18.454 3 HG LEU 75 HG LEU 75 -5.942 -11.527 17.043 4 HD11 LEU 75 HD11 LEU 75 -3.390 -12.215 15.559 5 HD13 LEU 75 HD12 LEU 75 -3.810 -10.652 16.265 6 HD12 LEU 75 HD13 LEU 75 -4.738 -11.280 14.905 7 HD23 LEU 75 HD21 LEU 75 -5.102 -14.196 15.847 8 HD22 LEU 75 HD22 LEU 75 -6.372 -13.136 15.228 9 HD21 LEU 75 HD23 LEU 75 -6.559 -13.901 16.803 10 H LEU 75 HN LEU 75 -5.563 -11.218 19.945 11 HB3 LEU 75 HB1 LEU 75 -3.706 -13.444 17.816 No H/Q in entry = 11 In of MODEL 16 1 HA3 GLY 76 HA2 GLY 76 -2.391 -15.020 21.403 2 H GLY 76 HN GLY 76 -3.227 -12.370 20.422 3 HA2 GLY 76 HA1 GLY 76 -1.380 -13.589 21.231 No H/Q in entry = 3 In of MODEL 16 1 HA VAL 77 HA VAL 77 -2.565 -12.949 25.431 2 HB VAL 77 HB VAL 77 -0.766 -14.941 25.263 3 H VAL 77 HN VAL 77 -0.718 -12.900 23.133 No H/Q in entry = 3 In of MODEL 16 1 HA TYR 78 HA TYR 78 0.296 -9.658 26.729 2 HB2 TYR 78 HB2 TYR 78 -1.777 -8.412 26.103 3 HD1 TYR 78 HD1 TYR 78 -2.045 -7.645 29.671 4 HD2 TYR 78 HD2 TYR 78 0.156 -6.770 26.109 5 HE1 TYR 78 HE1 TYR 78 -1.122 -5.639 30.743 6 HE2 TYR 78 HE2 TYR 78 1.074 -4.757 27.181 7 HH TYR 78 HH TYR 78 0.815 -4.160 30.537 8 H TYR 78 HN TYR 78 -1.920 -11.528 27.143 9 HB3 TYR 78 HB1 TYR 78 -2.527 -8.874 27.628 No H/Q in entry = 9 In of MODEL 16 1 HA PHE 79 HA PHE 79 0.655 -11.377 30.829 2 HB2 PHE 79 HB2 PHE 79 3.467 -10.851 29.805 3 HD1 PHE 79 HD1 PHE 79 0.677 -13.134 29.882 4 HD2 PHE 79 HD2 PHE 79 4.772 -12.892 29.343 5 HE1 PHE 79 HE1 PHE 79 0.687 -15.369 28.913 6 HE2 PHE 79 HE2 PHE 79 4.748 -15.120 28.349 7 HZ PHE 79 HZ PHE 79 2.726 -16.375 28.128 8 H PHE 79 HN PHE 79 1.628 -10.351 28.311 9 HB3 PHE 79 HB1 PHE 79 3.101 -11.590 31.360 No H/Q in entry = 9 In of MODEL 16 1 HA GLU 80 HA GLU 80 0.097 -7.409 32.334 2 HB2 GLU 80 HB2 GLU 80 -1.595 -8.783 33.477 3 HG2 GLU 80 HG2 GLU 80 -0.343 -6.928 35.525 4 H GLU 80 HN GLU 80 0.364 -10.232 32.623 5 HB3 GLU 80 HB1 GLU 80 -0.430 -9.235 34.717 6 HG3 GLU 80 HG1 GLU 80 -1.411 -6.406 34.223 No H/Q in entry = 6 In of MODEL 16 1 HA THR 81 HA THR 81 3.139 -7.487 36.155 2 HB THR 81 HB THR 81 4.917 -9.809 35.376 3 HG1 THR 81 HG1 THR 81 2.291 -9.993 36.289 4 HG23 THR 81 HG21 THR 81 5.186 -10.042 37.803 5 HG22 THR 81 HG22 THR 81 4.019 -8.749 38.078 6 HG21 THR 81 HG23 THR 81 5.563 -8.393 37.297 7 H THR 81 HN THR 81 2.179 -9.453 34.394 No H/Q in entry = 7 In of MODEL 16 1 HA LEU 82 HA LEU 82 6.736 -6.969 33.148 2 HB2 LEU 82 HB2 LEU 82 7.306 -8.446 31.071 3 HG LEU 82 HG LEU 82 4.910 -9.580 31.051 4 HD13 LEU 82 HD11 LEU 82 5.831 -11.639 30.110 5 HD12 LEU 82 HD12 LEU 82 7.413 -11.270 30.808 6 HD11 LEU 82 HD13 LEU 82 6.734 -10.228 29.552 7 HD23 LEU 82 HD21 LEU 82 6.287 -11.318 33.124 8 HD22 LEU 82 HD22 LEU 82 4.747 -11.655 32.327 9 HD21 LEU 82 HD23 LEU 82 4.892 -10.278 33.414 10 H LEU 82 HN LEU 82 4.308 -8.624 33.082 11 HB3 LEU 82 HB1 LEU 82 7.438 -9.140 32.673 No H/Q in entry = 11 In of MODEL 16 1 HA GLU 83 HA GLU 83 2.442 -5.710 30.453 2 HB2 GLU 83 HB2 GLU 83 4.849 -3.860 30.624 3 HG2 GLU 83 HG2 GLU 83 2.240 -3.786 32.171 4 H GLU 83 HN GLU 83 3.613 -6.930 31.945 5 HB3 GLU 83 HB1 GLU 83 3.281 -3.417 29.945 6 HG3 GLU 83 HG1 GLU 83 3.829 -4.165 32.842 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 84 HA GLU 84 4.692 -6.758 26.650 2 HB2 GLU 84 HB2 GLU 84 6.127 -8.813 28.369 3 HG2 GLU 84 HG2 GLU 84 7.006 -6.500 28.486 4 H GLU 84 HN GLU 84 3.994 -7.788 29.347 5 HB3 GLU 84 HB1 GLU 84 6.319 -8.790 26.620 6 HG3 GLU 84 HG1 GLU 84 8.150 -7.640 27.779 No H/Q in entry = 6 In of MODEL 16 1 HA ASP 85 HA ASP 85 1.891 -9.909 25.461 2 HB2 ASP 85 HB2 ASP 85 0.792 -9.201 23.502 3 H ASP 85 HN ASP 85 3.967 -7.896 24.937 4 HB3 ASP 85 HB1 ASP 85 1.483 -7.694 24.086 No H/Q in entry = 4 In of MODEL 16 1 HA VAL 86 HA VAL 86 4.055 -12.462 22.433 2 HB VAL 86 HB VAL 86 2.476 -14.580 24.018 3 H VAL 86 HN VAL 86 1.791 -11.825 24.240 No H/Q in entry = 3 In of MODEL 16 1 HA SER 87 HA SER 87 0.407 -12.190 19.827 2 HB2 SER 87 HB2 SER 87 2.831 -12.186 17.986 3 HG SER 87 HG SER 87 2.072 -10.307 19.518 4 H SER 87 HN SER 87 3.126 -11.977 20.501 5 HB3 SER 87 HB1 SER 87 1.163 -11.947 17.459 No H/Q in entry = 5 In of MODEL 16 1 HA LEU 88 HA LEU 88 -0.033 -16.545 19.365 2 HB2 LEU 88 HB2 LEU 88 -2.401 -15.569 19.594 3 HG LEU 88 HG LEU 88 -2.138 -18.054 17.865 4 HD12 LEU 88 HD11 LEU 88 -2.399 -17.759 20.878 5 HD11 LEU 88 HD12 LEU 88 -0.931 -18.212 20.005 6 HD13 LEU 88 HD13 LEU 88 -2.330 -19.275 19.980 7 HD21 LEU 88 HD21 LEU 88 -4.412 -17.086 17.727 8 HD23 LEU 88 HD22 LEU 88 -4.525 -17.091 19.489 9 HD22 LEU 88 HD23 LEU 88 -4.411 -18.613 18.606 10 H LEU 88 HN LEU 88 -0.843 -13.851 19.198 11 HB3 LEU 88 HB1 LEU 88 -2.474 -15.560 17.846 No H/Q in entry = 11 In of MODEL 16 1 HA ILE 89 HA ILE 89 -0.093 -16.172 14.504 2 HB ILE 89 HB ILE 89 0.610 -13.198 14.548 3 HD13 ILE 89 HD11 ILE 89 -3.489 -14.376 14.121 4 HD12 ILE 89 HD12 ILE 89 -2.326 -15.615 14.586 5 HD11 ILE 89 HD13 ILE 89 -2.362 -15.013 12.924 6 H ILE 89 HN ILE 89 -0.531 -14.391 16.643 No H/Q in entry = 6 In of MODEL 16 1 HA3 GLY 90 HA2 GLY 90 4.528 -14.754 15.226 2 H GLY 90 HN GLY 90 2.068 -14.214 16.489 3 HA2 GLY 90 HA1 GLY 90 4.309 -14.284 16.910 No H/Q in entry = 3 In of MODEL 16 1 HA LEU 91 HA LEU 91 4.711 -18.528 18.222 2 HB2 LEU 91 HB2 LEU 91 1.683 -18.647 18.517 3 HG LEU 91 HG LEU 91 2.723 -16.920 19.996 4 HD13 LEU 91 HD11 LEU 91 0.722 -18.070 20.775 5 HD12 LEU 91 HD12 LEU 91 1.794 -17.719 22.128 6 HD11 LEU 91 HD13 LEU 91 1.700 -19.361 21.481 7 HD23 LEU 91 HD21 LEU 91 4.255 -17.631 21.805 8 HD22 LEU 91 HD22 LEU 91 4.966 -17.837 20.210 9 HD21 LEU 91 HD23 LEU 91 4.352 -19.238 21.089 10 H LEU 91 HN LEU 91 2.665 -16.611 17.604 11 HB3 LEU 91 HB1 LEU 91 2.782 -19.856 19.171 No H/Q in entry = 11 In of MODEL 16 1 HA LEU 92 HA LEU 92 2.197 -21.093 14.984 2 HB2 LEU 92 HB2 LEU 92 0.759 -18.652 13.880 3 HG LEU 92 HG LEU 92 -0.135 -19.412 16.111 4 HD13 LEU 92 HD11 LEU 92 -2.491 -19.490 15.435 5 HD12 LEU 92 HD12 LEU 92 -2.018 -19.817 13.765 6 HD11 LEU 92 HD13 LEU 92 -1.595 -18.277 14.521 7 HD22 LEU 92 HD21 LEU 92 -1.317 -21.565 16.281 8 HD21 LEU 92 HD22 LEU 92 0.398 -21.807 15.964 9 HD23 LEU 92 HD23 LEU 92 -0.777 -22.010 14.660 10 H LEU 92 HN LEU 92 1.938 -18.460 16.022 11 HB3 LEU 92 HB1 LEU 92 0.548 -20.289 13.270 No H/Q in entry = 11 In of MODEL 16 1 HA GLU 93 HA GLU 93 4.605 -19.091 11.486 2 HB2 GLU 93 HB2 GLU 93 4.650 -16.214 12.505 3 HG2 GLU 93 HG2 GLU 93 2.365 -16.689 12.013 4 H GLU 93 HN GLU 93 3.567 -17.989 14.017 5 HB3 GLU 93 HB1 GLU 93 5.182 -16.753 10.912 6 HG3 GLU 93 HG1 GLU 93 3.017 -15.784 10.650 No H/Q in entry = 6 In of MODEL 16 1 HA3 GLY 94 HA2 GLY 94 7.715 -19.097 15.623 2 H GLY 94 HN GLY 94 5.644 -18.620 14.684 3 HA2 GLY 94 HA1 GLY 94 8.416 -19.227 14.018 No H/Q in entry = 3 In of MODEL 16 1 HA ARG 95 HA ARG 95 8.992 -14.639 14.632 2 HB2 ARG 95 HB2 ARG 95 6.859 -14.097 13.239 3 HG2 ARG 95 HG2 ARG 95 8.205 -12.138 15.078 4 HD2 ARG 95 HD2 ARG 95 6.994 -10.290 13.810 5 HE ARG 95 HE ARG 95 6.314 -11.335 16.209 6 HH11 ARG 95 HH11 ARG 95 4.280 -10.121 13.607 7 HH12 ARG 95 HH12 ARG 95 3.121 -9.417 14.687 8 HH21 ARG 95 HH21 ARG 95 4.782 -10.408 17.606 9 HH22 ARG 95 HH22 ARG 95 3.392 -9.603 16.956 10 H ARG 95 HN ARG 95 6.671 -16.336 14.330 11 HB3 ARG 95 HB1 ARG 95 6.082 -13.736 14.774 12 HG3 ARG 95 HG1 ARG 95 8.247 -12.241 13.319 13 HD3 ARG 95 HD1 ARG 95 5.787 -11.502 13.369 No H/Q in entry = 13 In of MODEL 16 1 HA ARG 96 HA ARG 96 8.086 -15.723 18.991 2 HB2 ARG 96 HB2 ARG 96 11.082 -15.766 18.534 3 HG2 ARG 96 HG2 ARG 96 9.204 -17.995 19.379 4 HD2 ARG 96 HD2 ARG 96 11.828 -18.457 17.997 5 HE ARG 96 HE ARG 96 10.422 -19.978 20.117 6 HH11 ARG 96 HH11 ARG 96 12.120 -20.011 17.039 7 HH12 ARG 96 HH12 ARG 96 12.084 -21.739 16.919 8 HH21 ARG 96 HH21 ARG 96 10.408 -22.192 19.974 9 HH22 ARG 96 HH22 ARG 96 11.099 -22.980 18.589 10 H ARG 96 HN ARG 96 9.695 -15.498 16.673 11 HB3 ARG 96 HB1 ARG 96 10.381 -16.030 20.132 12 HG3 ARG 96 HG1 ARG 96 9.650 -17.696 17.697 13 HD3 ARG 96 HD1 ARG 96 11.854 -18.057 19.717 No H/Q in entry = 13 In of MODEL 16 1 HA3 GLY 97 HA2 GLY 97 8.287 -11.285 19.563 2 H GLY 97 HN GLY 97 9.510 -12.973 17.606 3 HA2 GLY 97 HA1 GLY 97 10.050 -11.242 19.669 No H/Q in entry = 3 In of MODEL 16 1 HA SER 98 HA SER 98 9.264 -8.195 16.470 2 HB2 SER 98 HB2 SER 98 11.463 -7.071 18.266 3 HG SER 98 HG SER 98 8.648 -6.763 18.250 4 H SER 98 HN SER 98 10.279 -9.163 18.981 5 HB3 SER 98 HB1 SER 98 10.621 -6.202 16.974 No H/Q in entry = 5 In of MODEL 16 1 HA ALA 99 HA ALA 99 12.282 -9.694 13.676 2 HB2 ALA 99 HB1 ALA 99 12.767 -8.173 11.792 3 HB3 ALA 99 HB2 ALA 99 12.063 -6.826 12.692 4 HB1 ALA 99 HB3 ALA 99 11.046 -8.175 12.185 5 H ALA 99 HN ALA 99 10.573 -7.689 14.608 No H/Q in entry = 5 In of MODEL 16 1 HA LYS 100 HA LYS 100 15.853 -6.625 14.846 2 HB2 LYS 100 HB2 LYS 100 14.011 -5.011 16.647 3 HG2 LYS 100 HG2 LYS 100 15.652 -4.214 14.221 4 HD2 LYS 100 HD2 LYS 100 14.712 -1.988 14.444 5 HE2 LYS 100 HE2 LYS 100 15.837 -1.156 16.412 6 HZ2 LYS 100 HZ1 LYS 100 17.966 -2.182 16.262 7 HZ1 LYS 100 HZ2 LYS 100 17.301 -2.125 14.711 8 HZ3 LYS 100 HZ3 LYS 100 17.323 -3.582 15.569 9 H LYS 100 HN LYS 100 13.041 -6.496 15.002 10 HB3 LYS 100 HB1 LYS 100 15.764 -4.811 16.639 11 HG3 LYS 100 HG1 LYS 100 13.895 -4.338 14.296 12 HD3 LYS 100 HD1 LYS 100 13.775 -2.480 15.858 13 HE3 LYS 100 HE1 LYS 100 15.783 -2.739 17.181 No H/Q in entry = 13 In of MODEL 16 1 HA TRP 101 HA TRP 101 15.502 -8.124 19.472 2 HB2 TRP 101 HB2 TRP 101 13.110 -7.950 20.065 3 HD1 TRP 101 HD1 TRP 101 14.656 -8.416 22.321 4 HE1 TRP 101 HE1 TRP 101 14.854 -10.500 23.811 5 HE3 TRP 101 HE3 TRP 101 12.536 -11.858 19.201 6 HZ2 TRP 101 HZ2 TRP 101 14.202 -13.237 23.682 7 HZ3 TRP 101 HZ3 TRP 101 12.360 -14.196 19.954 8 HH2 TRP 101 HH2 TRP 101 13.177 -14.870 22.158 9 H TRP 101 HN TRP 101 13.593 -7.456 17.527 10 HB3 TRP 101 HB1 TRP 101 12.732 -9.371 19.090 No H/Q in entry = 10 In of MODEL 16 1 HA MET 102 HA MET 102 15.327 -12.603 17.798 2 HB2 MET 102 HB2 MET 102 13.843 -11.879 15.246 3 HG2 MET 102 HG2 MET 102 13.007 -13.666 17.541 4 HE2 MET 102 HE1 MET 102 10.419 -12.493 13.897 5 HE1 MET 102 HE2 MET 102 12.095 -11.976 14.079 6 HE3 MET 102 HE3 MET 102 10.855 -11.352 15.171 7 H MET 102 HN MET 102 14.016 -10.198 16.992 8 HB3 MET 102 HB1 MET 102 14.459 -13.494 15.581 9 HG3 MET 102 HG1 MET 102 12.414 -12.028 17.273 No H/Q in entry = 9 In of MODEL 16 1 HA ALA 103 HA ALA 103 18.430 -11.403 14.404 2 HB3 ALA 103 HB1 ALA 103 17.210 -9.592 13.242 3 HB2 ALA 103 HB2 ALA 103 18.938 -9.248 13.337 4 HB1 ALA 103 HB3 ALA 103 17.811 -8.423 14.421 5 H ALA 103 HN ALA 103 16.317 -9.926 15.778 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 104 HA GLU 104 21.037 -8.837 17.360 2 HB2 GLU 104 HB2 GLU 104 18.858 -7.228 18.758 3 HG2 GLU 104 HG2 GLU 104 20.283 -6.598 16.161 4 H GLU 104 HN GLU 104 18.104 -9.161 17.127 5 HB3 GLU 104 HB1 GLU 104 20.573 -6.826 18.640 6 HG3 GLU 104 HG1 GLU 104 18.568 -6.885 16.363 No H/Q in entry = 6 In of MODEL 16 1 HA HIS 105 HA HIS 105 20.157 -11.283 21.092 2 HB2 HIS 105 HB2 HIS 105 17.101 -11.008 21.092 3 HD1 HIS 105 HD1 HIS 105 19.374 -9.913 23.841 4 HD2 HIS 105 HD2 HIS 105 17.150 -8.201 20.776 5 HE1 HIS 105 HE1 HIS 105 19.366 -7.446 24.304 6 HE2 HIS 105 HE2 HIS 105 17.888 -6.455 22.536 7 H HIS 105 HN HIS 105 18.537 -10.590 18.725 8 HB3 HIS 105 HB1 HIS 105 18.069 -11.624 22.429 No H/Q in entry = 8 In of MODEL 16 1 HA PRO 106 HA PRO 106 19.579 -14.896 18.214 2 HB2 PRO 106 HB2 PRO 106 21.961 -15.738 19.866 3 HG2 PRO 106 HG2 PRO 106 23.307 -13.973 19.145 4 HD2 PRO 106 HD2 PRO 106 21.921 -12.739 20.554 5 HB3 PRO 106 HB1 PRO 106 21.687 -15.858 18.121 6 HG3 PRO 106 HG1 PRO 106 22.290 -13.658 17.725 7 HD3 PRO 106 HD1 PRO 106 21.497 -11.930 19.035 No H/Q in entry = 7 In of MODEL 16 1 HA LEU 107 HA LEU 107 17.176 -16.990 21.198 2 HB2 LEU 107 HB2 LEU 107 16.156 -17.544 18.938 3 HG LEU 107 HG LEU 107 16.076 -19.817 20.966 4 HD11 LEU 107 HD11 LEU 107 14.234 -17.446 20.557 5 HD13 LEU 107 HD12 LEU 107 15.303 -17.739 21.934 6 HD12 LEU 107 HD13 LEU 107 13.927 -18.800 21.646 7 HD21 LEU 107 HD21 LEU 107 14.225 -19.311 18.615 8 HD23 LEU 107 HD22 LEU 107 13.972 -20.512 19.886 9 HD22 LEU 107 HD23 LEU 107 15.352 -20.661 18.793 10 H LEU 107 HN LEU 107 18.398 -16.653 18.667 11 HB3 LEU 107 HB1 LEU 107 17.195 -18.959 18.872 No H/Q in entry = 11 In of MODEL 16 1 HA ALA 108 HA ALA 108 19.840 -19.977 23.154 2 HB2 ALA 108 HB1 ALA 108 18.237 -19.510 24.969 3 HB1 ALA 108 HB2 ALA 108 18.689 -21.215 24.944 4 HB3 ALA 108 HB3 ALA 108 17.121 -20.708 24.307 5 H ALA 108 HN ALA 108 17.304 -18.768 22.683 No H/Q in entry = 5 In of MODEL 16 1 HA SER 109 HA SER 109 19.262 -23.589 20.614 2 HB2 SER 109 HB2 SER 109 17.685 -22.127 19.363 3 HG SER 109 HG SER 109 19.437 -23.319 17.478 4 H SER 109 HN SER 109 20.321 -20.934 21.126 5 HB3 SER 109 HB1 SER 109 19.033 -21.375 18.517 No H/Q in entry = 5 In of MODEL 17 1 H1 MET 1 HT2 MET 1 -12.908 -2.553 -5.626 2 H2 MET 1 HT1 MET 1 -12.456 -1.159 -6.467 3 H3 MET 1 HT3 MET 1 -12.986 -2.522 -7.313 4 HB3 MET 1 HB1 MET 1 -9.339 -2.573 -7.867 5 HG3 MET 1 HG1 MET 1 -12.048 -2.349 -9.204 6 HA MET 1 HA MET 1 -11.103 -3.782 -6.552 7 HB2 MET 1 HB2 MET 1 -10.365 -1.144 -7.899 8 HG2 MET 1 HG2 MET 1 -11.078 -3.819 -9.129 9 HE2 MET 1 HE1 MET 1 -10.794 -2.716 -12.903 10 HE1 MET 1 HE2 MET 1 -12.204 -2.578 -11.846 11 HE3 MET 1 HE3 MET 1 -11.212 -4.041 -11.822 No H/Q in entry = 11 In of MODEL 17 1 HA GLU 2 HA GLU 2 -9.909 -2.219 -2.605 2 HB2 GLU 2 HB2 GLU 2 -10.322 -4.623 -2.231 3 HG2 GLU 2 HG2 GLU 2 -7.701 -3.745 -0.993 4 H GLU 2 HN GLU 2 -10.107 -4.123 -4.707 5 HB3 GLU 2 HB1 GLU 2 -8.738 -5.021 -2.883 6 HG3 GLU 2 HG1 GLU 2 -9.311 -3.507 -0.324 No H/Q in entry = 6 In of MODEL 17 1 HA VAL 3 HA VAL 3 -5.480 -1.430 -2.908 2 HB VAL 3 HB VAL 3 -6.470 0.451 -4.147 3 H VAL 3 HN VAL 3 -8.191 -1.108 -1.791 No H/Q in entry = 3 In of MODEL 17 1 HA SER 4 HA SER 4 -4.514 -1.403 1.389 2 HB2 SER 4 HB2 SER 4 -1.827 -0.952 0.017 3 HG SER 4 HG SER 4 -3.338 -3.220 0.716 4 H SER 4 HN SER 4 -3.895 -1.286 -1.363 5 HB3 SER 4 HB1 SER 4 -2.035 -1.361 1.725 No H/Q in entry = 5 In of MODEL 17 1 HA ALA 5 HA ALA 5 -4.131 2.897 2.425 2 HB1 ALA 5 HB1 ALA 5 -7.065 2.610 1.634 3 HB3 ALA 5 HB2 ALA 5 -5.758 3.152 0.578 4 HB2 ALA 5 HB3 ALA 5 -6.226 4.131 1.969 5 H ALA 5 HN ALA 5 -5.521 0.310 2.229 No H/Q in entry = 5 In of MODEL 17 1 HA ASN 6 HA ASN 6 -5.336 2.743 6.640 2 HB2 ASN 6 HB2 ASN 6 -5.532 4.930 7.736 3 HD21 ASN 6 HD21 ASN 6 -4.621 6.169 4.566 4 HD22 ASN 6 HD22 ASN 6 -5.848 7.384 4.487 5 H ASN 6 HN ASN 6 -4.937 4.192 4.236 6 HB3 ASN 6 HB1 ASN 6 -4.247 4.991 6.537 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 7 HA GLU 7 -9.903 4.271 6.068 2 HB2 GLU 7 HB2 GLU 7 -11.040 5.025 4.028 3 HG2 GLU 7 HG2 GLU 7 -8.398 4.538 2.602 4 H GLU 7 HN GLU 7 -7.533 4.371 4.461 5 HB3 GLU 7 HB1 GLU 7 -9.567 5.955 4.297 6 HG3 GLU 7 HG1 GLU 7 -9.908 3.685 2.291 No H/Q in entry = 6 In of MODEL 17 1 HA LEU 8 HA LEU 8 -10.520 0.364 3.354 2 HB2 LEU 8 HB2 LEU 8 -8.032 0.633 2.281 3 HG LEU 8 HG LEU 8 -8.203 -1.419 1.010 4 HD13 LEU 8 HD11 LEU 8 -9.864 -3.153 1.400 5 HD12 LEU 8 HD12 LEU 8 -10.394 -2.343 2.876 6 HD11 LEU 8 HD13 LEU 8 -8.763 -3.009 2.772 7 HD23 LEU 8 HD21 LEU 8 -10.944 -0.182 1.387 8 HD22 LEU 8 HD22 LEU 8 -10.412 -1.138 -0.002 9 HD21 LEU 8 HD23 LEU 8 -9.655 0.415 0.338 10 H LEU 8 HN LEU 8 -8.273 2.032 4.003 11 HB3 LEU 8 HB1 LEU 8 -7.714 -0.735 3.320 No H/Q in entry = 11 In of MODEL 17 1 HA GLU 9 HA GLU 9 -8.037 -0.276 8.038 2 HB2 GLU 9 HB2 GLU 9 -9.988 -0.906 9.378 3 HG2 GLU 9 HG2 GLU 9 -11.740 -0.589 6.934 4 H GLU 9 HN GLU 9 -8.479 0.788 6.092 5 HB3 GLU 9 HB1 GLU 9 -10.301 0.574 8.483 6 HG3 GLU 9 HG1 GLU 9 -11.282 -2.157 7.599 No H/Q in entry = 6 In of MODEL 17 1 HA ALA 10 HA ALA 10 -8.352 -4.523 5.866 2 HB1 ALA 10 HB1 ALA 10 -7.222 -3.531 3.925 3 HB3 ALA 10 HB2 ALA 10 -6.455 -5.049 4.396 4 HB2 ALA 10 HB3 ALA 10 -5.694 -3.507 4.806 5 H ALA 10 HN ALA 10 -7.361 -1.883 5.816 No H/Q in entry = 5 In of MODEL 17 1 HA ALA 11 HA ALA 11 -4.546 -5.280 8.796 2 HB3 ALA 11 HB1 ALA 11 -3.549 -3.736 10.424 3 HB1 ALA 11 HB2 ALA 11 -4.702 -2.482 9.962 4 HB2 ALA 11 HB3 ALA 11 -3.499 -3.039 8.801 5 H ALA 11 HN ALA 11 -5.835 -2.967 7.736 No H/Q in entry = 5 In of MODEL 17 1 HA SER 12 HA SER 12 -7.589 -4.476 12.525 2 HB2 SER 12 HB2 SER 12 -9.586 -2.844 10.884 3 HG SER 12 HG SER 12 -8.675 -1.168 12.417 4 H SER 12 HN SER 12 -7.121 -3.149 10.061 5 HB3 SER 12 HB1 SER 12 -9.618 -3.114 12.631 No H/Q in entry = 5 In of MODEL 17 1 HA SER 13 HA SER 13 -11.014 -6.740 9.919 2 HB2 SER 13 HB2 SER 13 -9.780 -5.956 7.241 3 HG SER 13 HG SER 13 -11.225 -4.477 8.848 4 H SER 13 HN SER 13 -9.044 -4.767 9.324 5 HB3 SER 13 HB1 SER 13 -11.286 -6.852 7.463 No H/Q in entry = 5 In of MODEL 17 1 HA ARG 14 HA ARG 14 -7.452 -9.590 8.286 2 HB2 ARG 14 HB2 ARG 14 -5.639 -7.990 7.699 3 HG2 ARG 14 HG2 ARG 14 -3.635 -9.269 8.326 4 HD2 ARG 14 HD2 ARG 14 -6.000 -11.094 7.764 5 HE ARG 14 HE ARG 14 -3.390 -11.894 8.211 6 HH11 ARG 14 HH11 ARG 14 -5.643 -12.104 5.511 7 HH12 ARG 14 HH12 ARG 14 -4.952 -13.574 4.911 8 HH21 ARG 14 HH21 ARG 14 -2.514 -13.825 7.413 9 HH22 ARG 14 HH22 ARG 14 -3.191 -14.555 5.993 10 H ARG 14 HN ARG 14 -7.613 -6.840 8.995 11 HB3 ARG 14 HB1 ARG 14 -5.255 -7.781 9.400 12 HG3 ARG 14 HG1 ARG 14 -4.557 -10.142 9.555 13 HD3 ARG 14 HD1 ARG 14 -5.028 -10.248 6.551 No H/Q in entry = 13 In of MODEL 17 1 HA MET 15 HA MET 15 -6.239 -9.998 13.016 2 HB2 MET 15 HB2 MET 15 -7.345 -7.244 13.499 3 HG2 MET 15 HG2 MET 15 -5.378 -6.909 14.829 4 HE1 MET 15 HE1 MET 15 -2.539 -8.401 14.043 5 HE3 MET 15 HE2 MET 15 -2.695 -6.646 14.175 6 HE2 MET 15 HE3 MET 15 -2.013 -7.367 12.715 7 H MET 15 HN MET 15 -6.873 -7.838 11.352 8 HB3 MET 15 HB1 MET 15 -7.390 -8.383 14.837 9 HG3 MET 15 HG1 MET 15 -5.008 -8.635 14.824 No H/Q in entry = 9 In of MODEL 17 1 HA GLU 16 HA GLU 16 -11.078 -10.469 13.570 2 HB2 GLU 16 HB2 GLU 16 -12.013 -8.565 12.326 3 HG2 GLU 16 HG2 GLU 16 -13.082 -11.197 11.254 4 H GLU 16 HN GLU 16 -9.426 -8.728 12.097 5 HB3 GLU 16 HB1 GLU 16 -11.500 -9.268 10.797 6 HG3 GLU 16 HG1 GLU 16 -13.673 -10.305 12.653 No H/Q in entry = 6 In of MODEL 17 1 HA MET 17 HA MET 17 -10.776 -13.335 9.685 2 HB2 MET 17 HB2 MET 17 -8.389 -11.865 8.506 3 HG2 MET 17 HG2 MET 17 -10.523 -10.779 8.011 4 HE2 MET 17 HE1 MET 17 -10.590 -14.659 7.091 5 HE1 MET 17 HE2 MET 17 -10.785 -13.871 5.522 6 HE3 MET 17 HE3 MET 17 -12.131 -14.760 6.244 7 H MET 17 HN MET 17 -9.702 -10.798 10.298 8 HB3 MET 17 HB1 MET 17 -9.001 -13.389 7.865 9 HG3 MET 17 HG1 MET 17 -9.837 -11.519 6.563 No H/Q in entry = 9 In of MODEL 17 1 HA LEU 18 HA LEU 18 -6.521 -14.895 11.308 2 HB2 LEU 18 HB2 LEU 18 -6.180 -12.445 13.066 3 HG LEU 18 HG LEU 18 -5.518 -12.118 10.667 4 HD13 LEU 18 HD11 LEU 18 -3.297 -11.185 11.074 5 HD12 LEU 18 HD12 LEU 18 -3.176 -12.087 12.585 6 HD11 LEU 18 HD13 LEU 18 -4.393 -10.822 12.407 7 HD22 LEU 18 HD21 LEU 18 -3.581 -13.320 9.750 8 HD21 LEU 18 HD22 LEU 18 -4.914 -14.416 10.107 9 HD23 LEU 18 HD23 LEU 18 -3.521 -14.339 11.192 10 H LEU 18 HN LEU 18 -7.920 -12.400 11.454 11 HB3 LEU 18 HB1 LEU 18 -5.107 -13.835 13.147 No H/Q in entry = 11 In of MODEL 17 1 HA GLN 19 HA GLN 19 -8.669 -15.265 15.677 2 HB2 GLN 19 HB2 GLN 19 -10.929 -13.450 14.736 3 HG2 GLN 19 HG2 GLN 19 -9.066 -13.152 17.104 4 HE21 GLN 19 HE21 GLN 19 -9.134 -10.292 16.699 5 HE22 GLN 19 HE22 GLN 19 -10.652 -9.752 17.324 6 H GLN 19 HN GLN 19 -8.785 -13.391 13.548 7 HB3 GLN 19 HB1 GLN 19 -10.991 -14.381 16.233 8 HG3 GLN 19 HG1 GLN 19 -8.924 -12.258 15.593 No H/Q in entry = 8 In of MODEL 17 1 HA ARG 20 HA ARG 20 -12.253 -17.468 13.437 2 HB2 ARG 20 HB2 ARG 20 -13.594 -16.920 11.453 3 HG2 ARG 20 HG2 ARG 20 -11.485 -14.818 10.892 4 HD2 ARG 20 HD2 ARG 20 -13.642 -13.672 10.717 5 HE ARG 20 HE ARG 20 -14.651 -16.070 9.651 6 HH11 ARG 20 HH11 ARG 20 -14.886 -12.612 9.064 7 HH12 ARG 20 HH12 ARG 20 -16.475 -12.711 8.385 8 HH21 ARG 20 HH21 ARG 20 -16.744 -16.180 8.803 9 HH22 ARG 20 HH22 ARG 20 -17.543 -14.745 8.249 10 H ARG 20 HN ARG 20 -10.852 -14.994 12.881 11 HB3 ARG 20 HB1 ARG 20 -13.403 -15.487 12.462 12 HG3 ARG 20 HG1 ARG 20 -12.047 -16.104 9.821 13 HD3 ARG 20 HD1 ARG 20 -12.926 -13.930 9.124 No H/Q in entry = 13 In of MODEL 17 1 HA GLU 21 HA GLU 21 -9.336 -18.930 9.938 2 HB2 GLU 21 HB2 GLU 21 -7.978 -16.840 9.528 3 HG2 GLU 21 HG2 GLU 21 -5.756 -17.939 8.993 4 H GLU 21 HN GLU 21 -9.356 -16.682 11.765 5 HB3 GLU 21 HB1 GLU 21 -6.970 -17.259 10.900 6 HG3 GLU 21 HG1 GLU 21 -6.401 -19.422 9.689 No H/Q in entry = 6 In of MODEL 17 1 HA TYR 22 HA TYR 22 -6.642 -20.888 13.216 2 HB2 TYR 22 HB2 TYR 22 -5.519 -18.397 14.581 3 HD1 TYR 22 HD1 TYR 22 -4.842 -16.843 12.934 4 HD2 TYR 22 HD2 TYR 22 -3.995 -20.990 12.310 5 HE1 TYR 22 HE1 TYR 22 -3.451 -16.270 11.002 6 HE2 TYR 22 HE2 TYR 22 -2.598 -20.398 10.372 7 HH TYR 22 HH TYR 22 -2.363 -18.546 8.760 8 H TYR 22 HN TYR 22 -7.427 -18.075 12.833 9 HB3 TYR 22 HB1 TYR 22 -4.831 -20.018 14.604 No H/Q in entry = 9 In of MODEL 17 1 HA SER 23 HA SER 23 -9.258 -19.153 17.027 2 HB2 SER 23 HB2 SER 23 -6.606 -20.303 18.021 3 HG SER 23 HG SER 23 -8.963 -21.327 17.069 4 H SER 23 HN SER 23 -7.009 -18.277 15.601 5 HB3 SER 23 HB1 SER 23 -7.969 -20.052 19.113 No H/Q in entry = 5 In of MODEL 17 1 HA THR 24 HA THR 24 -7.528 -15.863 19.649 2 HB THR 24 HB THR 24 -9.380 -15.252 21.385 3 HG1 THR 24 HG1 THR 24 -10.631 -17.062 21.418 4 HG21 THR 24 HG21 THR 24 -9.071 -13.950 19.308 5 HG23 THR 24 HG22 THR 24 -10.779 -14.083 19.733 6 HG22 THR 24 HG23 THR 24 -10.109 -15.077 18.435 7 H THR 24 HN THR 24 -9.459 -18.024 19.071 No H/Q in entry = 7 In of MODEL 17 1 HA LEU 25 HA LEU 25 -6.028 -18.420 22.925 2 HB2 LEU 25 HB2 LEU 25 -4.384 -16.415 22.650 3 HG LEU 25 HG LEU 25 -4.496 -17.720 25.402 4 HD13 LEU 25 HD11 LEU 25 -2.880 -19.323 24.491 5 HD12 LEU 25 HD12 LEU 25 -3.001 -18.565 22.900 6 HD11 LEU 25 HD13 LEU 25 -4.402 -19.381 23.604 7 HD21 LEU 25 HD21 LEU 25 -2.199 -16.306 24.001 8 HD23 LEU 25 HD22 LEU 25 -2.090 -17.182 25.531 9 HD22 LEU 25 HD23 LEU 25 -3.074 -15.723 25.418 10 H LEU 25 HN LEU 25 -6.502 -15.844 21.712 11 HB3 LEU 25 HB1 LEU 25 -5.177 -15.730 24.061 No H/Q in entry = 11 In of MODEL 17 1 HA ARG 26 HA ARG 26 -9.196 -17.669 25.977 2 HB2 ARG 26 HB2 ARG 26 -10.324 -19.761 26.583 3 HG2 ARG 26 HG2 ARG 26 -8.244 -21.281 24.971 4 HD2 ARG 26 HD2 ARG 26 -10.630 -22.177 24.967 5 HE ARG 26 HE ARG 26 -11.364 -21.816 27.215 6 HH11 ARG 26 HH11 ARG 26 -9.039 -24.428 26.891 7 HH12 ARG 26 HH12 ARG 26 -9.427 -25.124 28.431 8 HH21 ARG 26 HH21 ARG 26 -11.911 -22.796 29.211 9 HH22 ARG 26 HH22 ARG 26 -11.064 -24.219 29.726 10 H ARG 26 HN ARG 26 -7.170 -19.324 24.593 11 HB3 ARG 26 HB1 ARG 26 -10.073 -19.673 24.842 12 HG3 ARG 26 HG1 ARG 26 -8.324 -21.287 26.732 13 HD3 ARG 26 HD1 ARG 26 -9.388 -23.279 25.569 No H/Q in entry = 13 In of MODEL 17 1 HA SER 27 HA SER 27 -6.234 -18.828 29.388 2 HB2 SER 27 HB2 SER 27 -6.450 -21.815 28.730 3 HG SER 27 HG SER 27 -8.283 -19.966 29.790 4 H SER 27 HN SER 27 -6.389 -19.738 26.615 5 HB3 SER 27 HB1 SER 27 -6.133 -21.130 30.326 No H/Q in entry = 5 In of MODEL 17 1 HA VAL 28 HA VAL 28 -2.037 -20.407 28.744 2 HB VAL 28 HB VAL 28 -1.716 -17.774 30.267 3 H VAL 28 HN VAL 28 -4.192 -19.164 30.329 No H/Q in entry = 3 In of MODEL 17 1 HA GLN 29 HA GLN 29 -0.706 -21.445 32.896 2 HB2 GLN 29 HB2 GLN 29 -0.851 -23.921 33.098 3 HG2 GLN 29 HG2 GLN 29 -1.558 -23.918 30.158 4 HE21 GLN 29 HE21 GLN 29 -1.370 -25.788 33.155 5 HE22 GLN 29 HE22 GLN 29 -2.279 -27.137 32.579 6 H GLN 29 HN GLN 29 -0.734 -21.667 29.966 7 HB3 GLN 29 HB1 GLN 29 -2.307 -23.231 32.393 8 HG3 GLN 29 HG1 GLN 29 -0.091 -24.597 30.841 No H/Q in entry = 8 In of MODEL 17 1 HA TYR 30 HA TYR 30 3.586 -22.061 31.860 2 HB2 TYR 30 HB2 TYR 30 3.903 -19.986 33.119 3 HD1 TYR 30 HD1 TYR 30 5.238 -21.825 35.934 4 HD2 TYR 30 HD2 TYR 30 6.022 -20.796 31.859 5 HE1 TYR 30 HE1 TYR 30 7.585 -22.502 36.211 6 HE2 TYR 30 HE2 TYR 30 8.368 -21.461 32.151 7 HH TYR 30 HH TYR 30 9.997 -21.753 33.961 8 H TYR 30 HN TYR 30 1.354 -21.157 33.460 9 HB3 TYR 30 HB1 TYR 30 3.503 -20.786 34.637 No H/Q in entry = 9 In of MODEL 17 1 HA ARG 31 HA ARG 31 3.483 -25.921 34.101 2 HB2 ARG 31 HB2 ARG 31 4.396 -26.592 31.270 3 HG2 ARG 31 HG2 ARG 31 1.704 -26.976 32.632 4 HD2 ARG 31 HD2 ARG 31 2.649 -27.921 29.906 5 HE ARG 31 HE ARG 31 0.058 -27.238 30.587 6 HH11 ARG 31 HH11 ARG 31 1.647 -30.175 29.508 7 HH12 ARG 31 HH12 ARG 31 0.233 -30.791 28.719 8 HH21 ARG 31 HH21 ARG 31 -1.785 -28.039 29.514 9 HH22 ARG 31 HH22 ARG 31 -1.702 -29.578 28.714 10 H ARG 31 HN ARG 31 4.006 -24.187 31.801 11 HB3 ARG 31 HB1 ARG 31 4.086 -27.780 32.538 12 HG3 ARG 31 HG1 ARG 31 2.048 -25.914 31.262 13 HD3 ARG 31 HD1 ARG 31 2.218 -28.954 31.278 No H/Q in entry = 13 In of MODEL 17 1 HA SER 32 HA SER 32 7.742 -25.083 35.233 2 HB2 SER 32 HB2 SER 32 6.375 -26.365 37.639 3 HG SER 32 HG SER 32 7.102 -23.689 37.572 4 H SER 32 HN SER 32 5.006 -25.729 35.618 5 HB3 SER 32 HB1 SER 32 7.978 -25.624 37.645 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 33 HA GLU 33 8.116 -29.938 35.802 2 HB2 GLU 33 HB2 GLU 33 6.654 -31.631 34.733 3 HG2 GLU 33 HG2 GLU 33 4.596 -29.460 34.266 4 H GLU 33 HN GLU 33 6.014 -28.128 35.376 5 HB3 GLU 33 HB1 GLU 33 5.800 -30.654 35.922 6 HG3 GLU 33 HG1 GLU 33 5.678 -29.986 32.971 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 34 HA GLU 34 9.229 -29.562 31.289 2 HB2 GLU 34 HB2 GLU 34 6.866 -27.801 30.488 3 HG2 GLU 34 HG2 GLU 34 6.175 -30.078 31.165 4 H GLU 34 HN GLU 34 7.188 -28.196 32.946 5 HB3 GLU 34 HB1 GLU 34 8.035 -28.492 29.359 6 HG3 GLU 34 HG1 GLU 34 5.911 -29.755 29.450 No H/Q in entry = 6 In of MODEL 17 1 HA3 GLY 35 HA2 GLY 35 9.622 -24.652 33.173 2 H GLY 35 HN GLY 35 8.457 -26.600 32.887 3 HA2 GLY 35 HA1 GLY 35 10.932 -25.321 32.211 No H/Q in entry = 3 In of MODEL 17 1 HA VAL 36 HA VAL 36 8.435 -23.035 29.029 2 HB VAL 36 HB VAL 36 7.123 -24.176 27.285 3 H VAL 36 HN VAL 36 7.670 -25.160 30.962 No H/Q in entry = 3 In of MODEL 17 1 HA ILE 37 HA ILE 37 4.319 -21.527 29.897 2 HB ILE 37 HB ILE 37 5.241 -19.661 27.657 3 HD13 ILE 37 HD11 ILE 37 6.968 -17.397 30.142 4 HD12 ILE 37 HD12 ILE 37 5.307 -17.169 29.600 5 HD11 ILE 37 HD13 ILE 37 6.574 -17.562 28.433 6 H ILE 37 HN ILE 37 6.761 -21.701 28.289 No H/Q in entry = 6 In of MODEL 17 1 HA VAL 38 HA VAL 38 2.263 -23.441 26.444 2 HB VAL 38 HB VAL 38 1.134 -24.404 29.108 3 H VAL 38 HN VAL 38 2.535 -22.435 29.203 No H/Q in entry = 3 In of MODEL 17 1 HA PHE 39 HA PHE 39 -1.166 -20.610 26.250 2 HB2 PHE 39 HB2 PHE 39 0.083 -20.884 23.477 3 HD1 PHE 39 HD1 PHE 39 -0.371 -17.817 25.472 4 HD2 PHE 39 HD2 PHE 39 2.440 -20.762 24.169 5 HE1 PHE 39 HE1 PHE 39 1.479 -16.373 26.195 6 HE2 PHE 39 HE2 PHE 39 4.289 -19.315 24.895 7 HZ PHE 39 HZ PHE 39 3.807 -17.114 25.907 8 H PHE 39 HN PHE 39 0.672 -22.672 25.193 9 HB3 PHE 39 HB1 PHE 39 -1.055 -19.629 23.943 No H/Q in entry = 9 In of MODEL 17 1 HA ILE 40 HA ILE 40 -4.013 -23.815 24.789 2 HB ILE 40 HB ILE 40 -5.446 -22.469 27.125 3 HD13 ILE 40 HD11 ILE 40 -4.052 -24.953 29.599 4 HD12 ILE 40 HD12 ILE 40 -5.636 -25.102 28.845 5 HD11 ILE 40 HD13 ILE 40 -5.090 -23.538 29.452 6 H ILE 40 HN ILE 40 -3.040 -21.773 26.593 No H/Q in entry = 6 In of MODEL 17 1 HA LEU 41 HA LEU 41 -6.074 -20.767 22.291 2 HB2 LEU 41 HB2 LEU 41 -5.800 -23.361 20.722 3 HG LEU 41 HG LEU 41 -3.652 -22.232 20.913 4 HD12 LEU 41 HD11 LEU 41 -4.814 -21.624 18.170 5 HD11 LEU 41 HD12 LEU 41 -4.145 -23.172 18.682 6 HD13 LEU 41 HD13 LEU 41 -3.097 -21.761 18.575 7 HD22 LEU 41 HD21 LEU 41 -4.436 -20.036 21.601 8 HD21 LEU 41 HD22 LEU 41 -5.071 -19.723 19.982 9 HD23 LEU 41 HD23 LEU 41 -3.338 -19.906 20.236 10 H LEU 41 HN LEU 41 -5.026 -23.383 22.963 11 HB3 LEU 41 HB1 LEU 41 -6.546 -21.933 20.037 No H/Q in entry = 11 In of MODEL 17 1 HA ALA 42 HA ALA 42 -10.391 -21.438 22.638 2 HB3 ALA 42 HB1 ALA 42 -11.761 -20.412 20.844 3 HB1 ALA 42 HB2 ALA 42 -10.327 -20.318 19.813 4 HB2 ALA 42 HB3 ALA 42 -10.405 -19.382 21.305 5 H ALA 42 HN ALA 42 -8.173 -20.635 21.057 No H/Q in entry = 5 In of MODEL 17 1 HA ASN 43 HA ASN 43 -10.844 -24.945 19.468 2 HB2 ASN 43 HB2 ASN 43 -9.574 -25.729 17.634 3 HD21 ASN 43 HD21 ASN 43 -7.301 -23.118 18.160 4 HD22 ASN 43 HD22 ASN 43 -5.888 -24.098 18.150 5 H ASN 43 HN ASN 43 -8.863 -22.833 19.791 6 HB3 ASN 43 HB1 ASN 43 -9.358 -23.987 17.562 No H/Q in entry = 6 In of MODEL 17 1 HA ASP 44 HA ASP 44 -7.378 -25.345 23.296 2 HB2 ASP 44 HB2 ASP 44 -9.167 -27.715 22.625 3 H ASP 44 HN ASP 44 -8.470 -24.329 21.653 4 HB3 ASP 44 HB1 ASP 44 -8.063 -27.686 24.002 No H/Q in entry = 4 In of MODEL 17 1 HA ARG 45 HA ARG 45 -4.188 -27.366 21.035 2 HB2 ARG 45 HB2 ARG 45 -4.641 -26.383 18.812 3 HG2 ARG 45 HG2 ARG 45 -1.845 -25.697 19.795 4 HD2 ARG 45 HD2 ARG 45 -2.818 -26.043 16.946 5 HE ARG 45 HE ARG 45 -0.423 -26.809 17.663 6 HH11 ARG 45 HH11 ARG 45 -1.233 -23.661 16.300 7 HH12 ARG 45 HH12 ARG 45 0.319 -23.471 15.557 8 HH21 ARG 45 HH21 ARG 45 1.594 -26.508 16.705 9 HH22 ARG 45 HH22 ARG 45 1.918 -25.068 15.796 10 H ARG 45 HN ARG 45 -6.033 -25.068 21.049 11 HB3 ARG 45 HB1 ARG 45 -4.163 -24.790 19.398 12 HG3 ARG 45 HG1 ARG 45 -2.360 -27.223 19.078 13 HD3 ARG 45 HD1 ARG 45 -2.272 -24.525 17.685 No H/Q in entry = 13 In of MODEL 17 1 HA GLU 46 HA GLU 46 -1.841 -24.945 23.911 2 HB2 GLU 46 HB2 GLU 46 -0.936 -27.853 24.101 3 HG2 GLU 46 HG2 GLU 46 -2.062 -27.825 26.317 4 H GLU 46 HN GLU 46 -2.374 -27.304 22.242 5 HB3 GLU 46 HB1 GLU 46 -0.353 -26.595 25.173 6 HG3 GLU 46 HG1 GLU 46 -2.673 -26.210 25.971 No H/Q in entry = 6 In of MODEL 17 1 HA LEU 47 HA LEU 47 1.706 -24.366 21.174 2 HB2 LEU 47 HB2 LEU 47 0.512 -21.710 21.950 3 HG LEU 47 HG LEU 47 -0.290 -22.855 19.841 4 HD12 LEU 47 HD11 LEU 47 -0.132 -20.879 18.382 5 HD11 LEU 47 HD12 LEU 47 1.140 -20.216 19.410 6 HD13 LEU 47 HD13 LEU 47 -0.490 -20.427 20.049 7 HD23 LEU 47 HD21 LEU 47 2.553 -22.369 18.865 8 HD22 LEU 47 HD22 LEU 47 1.206 -22.977 17.895 9 HD21 LEU 47 HD23 LEU 47 1.842 -23.946 19.224 10 H LEU 47 HN LEU 47 -0.571 -23.536 22.751 11 HB3 LEU 47 HB1 LEU 47 2.145 -21.744 21.304 No H/Q in entry = 11 In of MODEL 17 1 HA LYS 48 HA LYS 48 4.220 -24.350 24.786 2 HB2 LYS 48 HB2 LYS 48 3.644 -26.657 24.013 3 HG2 LYS 48 HG2 LYS 48 6.571 -26.538 24.812 4 HD2 LYS 48 HD2 LYS 48 4.432 -28.676 25.134 5 HE2 LYS 48 HE2 LYS 48 7.279 -28.772 26.172 6 HZ3 LYS 48 HZ1 LYS 48 6.472 -30.796 27.248 7 HZ2 LYS 48 HZ2 LYS 48 6.413 -30.913 25.565 8 HZ1 LYS 48 HZ3 LYS 48 4.997 -30.639 26.441 9 H LYS 48 HN LYS 48 3.711 -24.666 21.883 10 HB3 LYS 48 HB1 LYS 48 5.018 -26.621 22.913 11 HG3 LYS 48 HG1 LYS 48 5.215 -26.419 25.942 12 HD3 LYS 48 HD1 LYS 48 5.900 -28.793 24.159 13 HE3 LYS 48 HE1 LYS 48 5.862 -28.491 27.188 No H/Q in entry = 13 In of MODEL 17 1 HA PHE 49 HA PHE 49 8.166 -22.787 23.444 2 HB2 PHE 49 HB2 PHE 49 6.416 -20.299 23.796 3 HD1 PHE 49 HD1 PHE 49 8.666 -20.959 20.960 4 HD2 PHE 49 HD2 PHE 49 4.609 -21.134 22.316 5 HE1 PHE 49 HE1 PHE 49 7.894 -21.246 18.638 6 HE2 PHE 49 HE2 PHE 49 3.850 -21.420 19.991 7 HZ PHE 49 HZ PHE 49 5.489 -21.478 18.152 8 H PHE 49 HN PHE 49 5.577 -22.671 24.877 9 HB3 PHE 49 HB1 PHE 49 8.083 -20.270 23.238 No H/Q in entry = 9 In of MODEL 17 1 HA ARG 50 HA ARG 50 9.561 -21.996 27.579 2 HB2 ARG 50 HB2 ARG 50 12.068 -21.445 25.934 3 HG2 ARG 50 HG2 ARG 50 12.903 -23.607 27.030 4 HD2 ARG 50 HD2 ARG 50 10.693 -24.078 25.012 5 HE ARG 50 HE ARG 50 12.612 -25.792 26.073 6 HH11 ARG 50 HH11 ARG 50 11.532 -24.864 22.847 7 HH12 ARG 50 HH12 ARG 50 12.149 -26.308 22.117 8 HH21 ARG 50 HH21 ARG 50 13.423 -27.638 25.083 9 HH22 ARG 50 HH22 ARG 50 13.206 -27.879 23.378 10 H ARG 50 HN ARG 50 9.931 -22.064 24.710 11 HB3 ARG 50 HB1 ARG 50 12.032 -21.543 27.684 12 HG3 ARG 50 HG1 ARG 50 11.213 -23.971 27.371 13 HD3 ARG 50 HD1 ARG 50 12.277 -23.419 24.580 No H/Q in entry = 13 In of MODEL 17 1 HA PRO 51 HA PRO 51 9.327 -17.488 28.382 2 HB2 PRO 51 HB2 PRO 51 11.620 -18.212 30.222 3 HG2 PRO 51 HG2 PRO 51 10.212 -19.598 31.495 4 HD2 PRO 51 HD2 PRO 51 10.592 -20.969 29.655 5 HB3 PRO 51 HB1 PRO 51 10.253 -17.123 30.522 6 HG3 PRO 51 HG1 PRO 51 8.736 -18.904 30.789 7 HD3 PRO 51 HD1 PRO 51 8.839 -20.779 29.435 No H/Q in entry = 7 In of MODEL 17 1 HA ASP 52 HA ASP 52 13.979 -16.631 27.203 2 HB2 ASP 52 HB2 ASP 52 14.619 -19.513 26.461 3 H ASP 52 HN ASP 52 12.570 -18.997 27.902 4 HB3 ASP 52 HB1 ASP 52 15.731 -18.151 26.306 No H/Q in entry = 4 In of MODEL 17 1 HA ASP 53 HA ASP 53 12.713 -18.079 22.673 2 HB2 ASP 53 HB2 ASP 53 10.038 -19.022 23.826 3 H ASP 53 HN ASP 53 12.060 -18.874 25.282 4 HB3 ASP 53 HB1 ASP 53 10.299 -18.751 22.105 No H/Q in entry = 4 In of MODEL 17 1 HA LEU 54 HA LEU 54 9.185 -14.994 23.049 2 HB2 LEU 54 HB2 LEU 54 8.495 -15.350 25.991 3 HG LEU 54 HG LEU 54 8.428 -17.599 24.936 4 HD11 LEU 54 HD11 LEU 54 6.801 -17.086 26.672 5 HD13 LEU 54 HD12 LEU 54 6.108 -18.171 25.472 6 HD12 LEU 54 HD13 LEU 54 5.669 -16.460 25.468 7 HD23 LEU 54 HD21 LEU 54 6.850 -18.076 23.082 8 HD22 LEU 54 HD22 LEU 54 8.144 -16.988 22.592 9 HD21 LEU 54 HD23 LEU 54 6.529 -16.349 22.913 10 H LEU 54 HN LEU 54 10.449 -16.734 25.016 11 HB3 LEU 54 HB1 LEU 54 7.457 -14.713 24.716 No H/Q in entry = 11 In of MODEL 17 1 HA GLN 55 HA GLN 55 11.269 -11.288 24.134 2 HB2 GLN 55 HB2 GLN 55 9.461 -10.866 22.163 3 HG2 GLN 55 HG2 GLN 55 11.441 -9.446 22.317 4 HE21 GLN 55 HE21 GLN 55 9.157 -7.134 23.633 5 HE22 GLN 55 HE22 GLN 55 10.148 -6.625 24.950 6 H GLN 55 HN GLN 55 9.128 -12.808 23.115 7 HB3 GLN 55 HB1 GLN 55 8.654 -9.943 23.414 8 HG3 GLN 55 HG1 GLN 55 9.998 -8.502 21.973 No H/Q in entry = 8 In of MODEL 17 1 HA ALA 56 HA ALA 56 7.697 -9.829 27.230 2 HB1 ALA 56 HB1 ALA 56 6.359 -12.577 27.149 3 HB2 ALA 56 HB2 ALA 56 5.765 -11.121 26.357 4 HB3 ALA 56 HB3 ALA 56 5.818 -11.196 28.120 5 H ALA 56 HN ALA 56 7.914 -11.733 25.216 No H/Q in entry = 5 In of MODEL 17 1 HA THR 57 HA THR 57 9.339 -12.899 30.300 2 HB THR 57 HB THR 57 8.927 -15.389 30.207 3 HG1 THR 57 HG1 THR 57 9.462 -15.340 27.786 4 HG21 THR 57 HG21 THR 57 6.783 -13.619 29.003 5 HG23 THR 57 HG22 THR 57 7.115 -13.820 30.720 6 HG22 THR 57 HG23 THR 57 6.506 -15.179 29.782 7 H THR 57 HN THR 57 9.144 -13.030 27.347 No H/Q in entry = 7 In of MODEL 17 1 HA TYR 58 HA TYR 58 13.300 -14.485 28.182 2 HB2 TYR 58 HB2 TYR 58 13.078 -12.828 26.294 3 HD1 TYR 58 HD1 TYR 58 14.665 -14.958 26.110 4 HD2 TYR 58 HD2 TYR 58 16.002 -11.084 27.320 5 HE1 TYR 58 HE1 TYR 58 16.954 -15.544 25.464 6 HE2 TYR 58 HE2 TYR 58 18.293 -11.677 26.659 7 HH TYR 58 HH TYR 58 19.019 -14.419 24.790 8 H TYR 58 HN TYR 58 11.340 -12.431 27.997 9 HB3 TYR 58 HB1 TYR 58 13.663 -11.567 27.380 No H/Q in entry = 9 In of MODEL 17 1 HA3 GLY 59 HA2 GLY 59 15.092 -14.793 32.190 2 H GLY 59 HN GLY 59 13.686 -14.939 30.321 3 HA2 GLY 59 HA1 GLY 59 15.373 -13.094 31.862 No H/Q in entry = 3 In of MODEL 17 1 HA ALA 60 HA ALA 60 11.528 -12.602 34.333 2 HB2 ALA 60 HB1 ALA 60 10.041 -12.246 32.396 3 HB3 ALA 60 HB2 ALA 60 9.140 -12.893 33.768 4 HB1 ALA 60 HB3 ALA 60 9.575 -13.951 32.424 5 H ALA 60 HN ALA 60 12.046 -14.082 31.864 No H/Q in entry = 5 In of MODEL 17 1 HA THR 61 HA THR 61 11.153 -16.254 36.743 2 HB THR 61 HB THR 61 10.303 -15.597 39.095 3 HG1 THR 61 HG1 THR 61 10.384 -12.987 37.955 4 HG21 THR 61 HG21 THR 61 12.714 -15.637 38.567 5 HG23 THR 61 HG22 THR 61 12.318 -14.306 39.653 6 HG22 THR 61 HG23 THR 61 12.604 -13.982 37.944 7 H THR 61 HN THR 61 10.402 -13.496 36.146 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 62 HA PRO 62 7.215 -18.211 36.040 2 HB2 PRO 62 HB2 PRO 62 7.079 -19.909 38.286 3 HG2 PRO 62 HG2 PRO 62 9.000 -19.123 39.365 4 HD2 PRO 62 HD2 PRO 62 10.634 -17.862 38.251 5 HB3 PRO 62 HB1 PRO 62 7.938 -20.251 36.783 6 HG3 PRO 62 HG1 PRO 62 9.711 -20.360 38.304 7 HD3 PRO 62 HD1 PRO 62 10.439 -18.766 36.729 No H/Q in entry = 7 In of MODEL 17 1 HA GLU 63 HA GLU 63 5.041 -16.715 40.167 2 HB2 GLU 63 HB2 GLU 63 5.747 -14.842 41.621 3 HG2 GLU 63 HG2 GLU 63 8.246 -14.783 39.897 4 H GLU 63 HN GLU 63 7.692 -16.680 39.187 5 HB3 GLU 63 HB1 GLU 63 6.960 -16.123 41.585 6 HG3 GLU 63 HG1 GLU 63 7.075 -13.480 40.086 No H/Q in entry = 6 In of MODEL 17 1 HA GLN 64 HA GLN 64 4.516 -12.684 37.596 2 HB2 GLN 64 HB2 GLN 64 6.891 -13.221 35.770 3 HG2 GLN 64 HG2 GLN 64 6.697 -11.270 38.084 4 HE21 GLN 64 HE21 GLN 64 7.364 -9.461 36.912 5 HE22 GLN 64 HE22 GLN 64 8.945 -9.321 36.234 6 H GLN 64 HN GLN 64 6.629 -14.650 37.823 7 HB3 GLN 64 HB1 GLN 64 5.904 -11.756 35.793 8 HG3 GLN 64 HG1 GLN 64 7.685 -12.733 38.051 No H/Q in entry = 8 In of MODEL 17 1 HA LEU 65 HA LEU 65 3.530 -15.479 33.837 2 HB2 LEU 65 HB2 LEU 65 5.214 -17.878 34.750 3 HG LEU 65 HG LEU 65 6.821 -16.048 34.646 4 HD12 LEU 65 HD11 LEU 65 6.986 -17.691 32.104 5 HD11 LEU 65 HD12 LEU 65 7.547 -18.180 33.706 6 HD13 LEU 65 HD13 LEU 65 8.313 -16.825 32.883 7 HD23 LEU 65 HD21 LEU 65 7.085 -14.634 32.641 8 HD22 LEU 65 HD22 LEU 65 5.528 -14.401 33.426 9 HD21 LEU 65 HD23 LEU 65 5.631 -15.352 31.939 10 H LEU 65 HN LEU 65 5.156 -15.778 36.324 11 HB3 LEU 65 HB1 LEU 65 4.625 -17.518 33.127 No H/Q in entry = 11 In of MODEL 17 1 HA ARG 66 HA ARG 66 0.732 -18.060 36.557 2 HB2 ARG 66 HB2 ARG 66 1.159 -16.226 38.970 3 HG2 ARG 66 HG2 ARG 66 2.241 -19.047 38.801 4 HD2 ARG 66 HD2 ARG 66 1.633 -18.394 41.068 5 HE ARG 66 HE ARG 66 2.608 -15.795 40.315 6 HH11 ARG 66 HH11 ARG 66 2.088 -17.832 43.124 7 HH12 ARG 66 HH12 ARG 66 1.979 -16.485 44.207 8 HH21 ARG 66 HH21 ARG 66 2.415 -14.058 41.723 9 HH22 ARG 66 HH22 ARG 66 2.149 -14.344 43.417 10 H ARG 66 HN ARG 66 2.850 -16.040 36.965 11 HB3 ARG 66 HB1 ARG 66 0.216 -17.718 38.916 12 HG3 ARG 66 HG1 ARG 66 3.235 -17.598 38.609 13 HD3 ARG 66 HD1 ARG 66 3.395 -18.342 40.915 No H/Q in entry = 13 In of MODEL 17 1 HA GLU 67 HA GLU 67 -1.547 -13.901 37.051 2 HB2 GLU 67 HB2 GLU 67 -0.510 -11.610 37.759 3 HG2 GLU 67 HG2 GLU 67 1.884 -13.410 38.236 4 H GLU 67 HN GLU 67 1.232 -14.695 37.317 5 HB3 GLU 67 HB1 GLU 67 -0.537 -12.918 38.937 6 HG3 GLU 67 HG1 GLU 67 1.844 -11.875 37.378 No H/Q in entry = 6 In of MODEL 17 1 HA ILE 68 HA ILE 68 -0.632 -12.524 32.899 2 HB ILE 68 HB ILE 68 -1.651 -15.407 32.963 3 HD13 ILE 68 HD11 ILE 68 0.243 -17.161 32.823 4 HD12 ILE 68 HD12 ILE 68 1.868 -16.618 32.415 5 HD11 ILE 68 HD13 ILE 68 0.599 -16.565 31.194 6 H ILE 68 HN ILE 68 -2.127 -13.915 35.032 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 69 HA GLU 69 -4.925 -12.144 31.383 2 HB2 GLU 69 HB2 GLU 69 -4.345 -9.874 32.263 3 HG2 GLU 69 HG2 GLU 69 -5.662 -8.404 30.841 4 H GLU 69 HN GLU 69 -1.990 -11.709 31.212 5 HB3 GLU 69 HB1 GLU 69 -3.476 -9.509 30.782 6 HG3 GLU 69 HG1 GLU 69 -5.561 -9.549 29.504 No H/Q in entry = 6 In of MODEL 17 1 HA ILE 70 HA ILE 70 -4.310 -12.932 27.014 2 HB ILE 70 HB ILE 70 -7.287 -12.242 27.073 3 HD12 ILE 70 HD11 ILE 70 -5.895 -16.221 27.869 4 HD11 ILE 70 HD12 ILE 70 -4.697 -14.944 27.673 5 HD13 ILE 70 HD13 ILE 70 -5.561 -15.571 26.265 6 H ILE 70 HN ILE 70 -5.967 -12.091 29.234 No H/Q in entry = 6 In of MODEL 17 1 HA SER 71 HA SER 71 -3.151 -9.213 25.176 2 HB2 SER 71 HB2 SER 71 -3.120 -9.172 22.671 3 HG SER 71 HG SER 71 -4.418 -10.380 21.557 4 H SER 71 HN SER 71 -4.233 -11.765 24.906 5 HB3 SER 71 HB1 SER 71 -2.556 -10.707 23.327 No H/Q in entry = 5 In of MODEL 17 1 HA PRO 72 HA PRO 72 -6.622 -6.326 24.705 2 HB2 PRO 72 HB2 PRO 72 -5.435 -4.222 23.419 3 HG2 PRO 72 HG2 PRO 72 -3.526 -5.392 22.631 4 HD2 PRO 72 HD2 PRO 72 -2.722 -7.299 23.732 5 HB3 PRO 72 HB1 PRO 72 -5.079 -4.620 25.112 6 HG3 PRO 72 HG1 PRO 72 -2.927 -4.647 24.132 7 HD3 PRO 72 HD1 PRO 72 -3.091 -6.652 25.347 No H/Q in entry = 7 In of MODEL 17 1 HA SER 73 HA SER 73 -6.984 -6.996 20.025 2 HB2 SER 73 HB2 SER 73 -5.545 -8.421 18.508 3 HG SER 73 HG SER 73 -3.346 -8.645 19.832 4 H SER 73 HN SER 73 -4.971 -7.733 22.024 5 HB3 SER 73 HB1 SER 73 -4.660 -7.097 19.267 No H/Q in entry = 5 In of MODEL 17 1 HA3 GLY 74 HA2 GLY 74 -7.727 -11.236 23.027 2 H GLY 74 HN GLY 74 -6.406 -9.466 22.357 3 HA2 GLY 74 HA1 GLY 74 -8.766 -10.995 21.640 No H/Q in entry = 3 In of MODEL 17 1 HA LEU 75 HA LEU 75 -6.122 -13.776 19.213 2 HB2 LEU 75 HB2 LEU 75 -4.084 -11.559 18.789 3 HG LEU 75 HG LEU 75 -6.360 -11.362 17.600 4 HD11 LEU 75 HD11 LEU 75 -4.377 -10.147 16.820 5 HD13 LEU 75 HD12 LEU 75 -5.370 -10.670 15.461 6 HD12 LEU 75 HD13 LEU 75 -3.882 -11.538 15.854 7 HD22 LEU 75 HD21 LEU 75 -6.723 -12.796 15.628 8 HD21 LEU 75 HD22 LEU 75 -6.699 -13.755 17.106 9 HD23 LEU 75 HD23 LEU 75 -5.291 -13.748 16.037 10 H LEU 75 HN LEU 75 -5.978 -11.088 20.121 11 HB3 LEU 75 HB1 LEU 75 -3.921 -13.139 18.032 No H/Q in entry = 11 In of MODEL 17 1 HA3 GLY 76 HA2 GLY 76 -2.261 -14.724 21.624 2 H GLY 76 HN GLY 76 -3.295 -12.125 20.710 3 HA2 GLY 76 HA1 GLY 76 -1.363 -13.214 21.492 No H/Q in entry = 3 In of MODEL 17 1 HA VAL 77 HA VAL 77 -2.483 -12.887 25.753 2 HB VAL 77 HB VAL 77 -0.634 -14.845 25.620 3 H VAL 77 HN VAL 77 -0.582 -12.988 23.488 No H/Q in entry = 3 In of MODEL 17 1 HA TYR 78 HA TYR 78 0.374 -9.543 26.916 2 HB2 TYR 78 HB2 TYR 78 -1.786 -8.418 26.224 3 HD1 TYR 78 HD1 TYR 78 -1.940 -7.054 29.567 4 HD2 TYR 78 HD2 TYR 78 0.337 -6.979 25.957 5 HE1 TYR 78 HE1 TYR 78 -0.907 -4.937 30.258 6 HE2 TYR 78 HE2 TYR 78 1.364 -4.862 26.644 7 HH TYR 78 HH TYR 78 0.974 -3.559 29.834 8 H TYR 78 HN TYR 78 -1.781 -11.440 27.477 9 HB3 TYR 78 HB1 TYR 78 -2.405 -8.666 27.852 No H/Q in entry = 9 In of MODEL 17 1 HA PHE 79 HA PHE 79 0.757 -10.886 31.167 2 HB2 PHE 79 HB2 PHE 79 3.624 -10.530 30.189 3 HD1 PHE 79 HD1 PHE 79 0.784 -12.786 30.378 4 HD2 PHE 79 HD2 PHE 79 4.842 -12.571 29.757 5 HE1 PHE 79 HE1 PHE 79 0.764 -15.014 29.370 6 HE2 PHE 79 HE2 PHE 79 4.813 -14.811 28.771 7 HZ PHE 79 HZ PHE 79 2.774 -16.047 28.574 8 H PHE 79 HN PHE 79 1.696 -10.303 28.497 9 HB3 PHE 79 HB1 PHE 79 3.135 -11.184 31.752 No H/Q in entry = 9 In of MODEL 17 1 HA GLU 80 HA GLU 80 0.453 -6.488 31.709 2 HB2 GLU 80 HB2 GLU 80 -1.780 -7.314 32.317 3 HG2 GLU 80 HG2 GLU 80 -0.634 -5.563 34.505 4 H GLU 80 HN GLU 80 -0.131 -9.236 32.048 5 HB3 GLU 80 HB1 GLU 80 -1.161 -7.941 33.839 6 HG3 GLU 80 HG1 GLU 80 -1.471 -5.033 33.043 No H/Q in entry = 6 In of MODEL 17 1 HA THR 81 HA THR 81 2.692 -7.343 36.052 2 HB THR 81 HB THR 81 3.592 -10.078 35.038 3 HG1 THR 81 HG1 THR 81 1.909 -10.931 36.024 4 HG23 THR 81 HG21 THR 81 5.119 -9.117 36.721 5 HG22 THR 81 HG22 THR 81 4.232 -10.482 37.402 6 HG21 THR 81 HG23 THR 81 3.758 -8.833 37.814 7 H THR 81 HN THR 81 1.414 -8.872 34.097 No H/Q in entry = 7 In of MODEL 17 1 HA LEU 82 HA LEU 82 6.528 -7.369 33.256 2 HB2 LEU 82 HB2 LEU 82 5.425 -8.829 30.819 3 HG LEU 82 HG LEU 82 5.024 -10.403 32.629 4 HD12 LEU 82 HD11 LEU 82 7.577 -11.139 31.182 5 HD11 LEU 82 HD12 LEU 82 5.930 -11.330 30.571 6 HD13 LEU 82 HD13 LEU 82 6.456 -12.255 31.974 7 HD22 LEU 82 HD21 LEU 82 6.414 -9.455 34.372 8 HD21 LEU 82 HD22 LEU 82 7.883 -9.944 33.521 9 HD23 LEU 82 HD23 LEU 82 6.769 -11.163 34.150 10 H LEU 82 HN LEU 82 3.791 -8.398 32.876 11 HB3 LEU 82 HB1 LEU 82 7.110 -8.634 31.292 No H/Q in entry = 11 In of MODEL 17 1 HA GLU 83 HA GLU 83 2.697 -4.765 30.727 2 HB2 GLU 83 HB2 GLU 83 5.471 -3.516 30.931 3 HG2 GLU 83 HG2 GLU 83 3.006 -2.937 32.590 4 H GLU 83 HN GLU 83 3.552 -6.337 32.110 5 HB3 GLU 83 HB1 GLU 83 4.020 -2.693 30.356 6 HG3 GLU 83 HG1 GLU 83 4.451 -3.766 33.167 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 84 HA GLU 84 4.565 -6.179 26.843 2 HB2 GLU 84 HB2 GLU 84 6.675 -6.809 28.222 3 HG2 GLU 84 HG2 GLU 84 7.787 -8.053 26.425 4 H GLU 84 HN GLU 84 3.920 -7.140 29.564 5 HB3 GLU 84 HB1 GLU 84 6.115 -8.466 28.148 6 HG3 GLU 84 HG1 GLU 84 6.227 -8.421 25.694 No H/Q in entry = 6 In of MODEL 17 1 HA ASP 85 HA ASP 85 2.037 -9.701 25.923 2 HB2 ASP 85 HB2 ASP 85 0.840 -9.159 23.920 3 H ASP 85 HN ASP 85 4.069 -7.671 25.179 4 HB3 ASP 85 HB1 ASP 85 1.296 -7.613 24.608 No H/Q in entry = 4 In of MODEL 17 1 HA VAL 86 HA VAL 86 4.217 -12.227 22.856 2 HB VAL 86 HB VAL 86 2.610 -14.312 24.468 3 H VAL 86 HN VAL 86 1.894 -11.594 24.592 No H/Q in entry = 3 In of MODEL 17 1 HA SER 87 HA SER 87 0.658 -11.869 20.203 2 HB2 SER 87 HB2 SER 87 3.084 -11.880 18.360 3 HG SER 87 HG SER 87 2.269 -10.053 20.080 4 H SER 87 HN SER 87 3.404 -11.864 20.881 5 HB3 SER 87 HB1 SER 87 1.435 -11.440 17.893 No H/Q in entry = 5 In of MODEL 17 1 HA LEU 88 HA LEU 88 0.082 -16.173 19.525 2 HB2 LEU 88 HB2 LEU 88 -2.271 -15.236 19.876 3 HG LEU 88 HG LEU 88 -2.026 -17.542 17.920 4 HD12 LEU 88 HD11 LEU 88 -2.245 -17.521 20.950 5 HD11 LEU 88 HD12 LEU 88 -0.777 -17.856 20.021 6 HD13 LEU 88 HD13 LEU 88 -2.149 -18.949 19.916 7 HD21 LEU 88 HD21 LEU 88 -4.311 -16.603 17.882 8 HD23 LEU 88 HD22 LEU 88 -4.412 -16.758 19.636 9 HD22 LEU 88 HD23 LEU 88 -4.289 -18.201 18.628 10 H LEU 88 HN LEU 88 -0.669 -13.449 19.496 11 HB3 LEU 88 HB1 LEU 88 -2.390 -15.060 18.138 No H/Q in entry = 11 In of MODEL 17 1 HA ILE 89 HA ILE 89 -0.471 -15.736 14.708 2 HB ILE 89 HB ILE 89 -0.025 -12.710 14.722 3 HD12 ILE 89 HD11 ILE 89 -2.643 -15.451 15.019 4 HD11 ILE 89 HD12 ILE 89 -2.893 -14.872 13.368 5 HD13 ILE 89 HD13 ILE 89 -3.986 -14.367 14.653 6 H ILE 89 HN ILE 89 -0.790 -14.013 16.887 No H/Q in entry = 6 In of MODEL 17 1 HA3 GLY 90 HA2 GLY 90 4.112 -13.973 14.970 2 H GLY 90 HN GLY 90 1.764 -13.639 16.412 3 HA2 GLY 90 HA1 GLY 90 4.013 -13.718 16.709 No H/Q in entry = 3 In of MODEL 17 1 HA LEU 91 HA LEU 91 4.950 -17.848 17.798 2 HB2 LEU 91 HB2 LEU 91 2.027 -18.150 18.583 3 HG LEU 91 HG LEU 91 3.098 -16.406 19.942 4 HD11 LEU 91 HD11 LEU 91 2.708 -18.991 21.484 5 HD13 LEU 91 HD12 LEU 91 1.457 -17.827 21.035 6 HD12 LEU 91 HD13 LEU 91 2.714 -17.368 22.181 7 HD23 LEU 91 HD21 LEU 91 5.049 -16.917 21.384 8 HD22 LEU 91 HD22 LEU 91 5.442 -16.983 19.669 9 HD21 LEU 91 HD23 LEU 91 5.226 -18.479 20.584 10 H LEU 91 HN LEU 91 2.872 -15.959 17.700 11 HB3 LEU 91 HB1 LEU 91 3.287 -19.302 19.015 No H/Q in entry = 11 In of MODEL 17 1 HA LEU 92 HA LEU 92 2.175 -20.355 14.728 2 HB2 LEU 92 HB2 LEU 92 0.684 -17.868 13.796 3 HG LEU 92 HG LEU 92 0.028 -18.697 16.119 4 HD12 LEU 92 HD11 LEU 92 -2.114 -18.867 13.988 5 HD11 LEU 92 HD12 LEU 92 -1.535 -17.401 14.781 6 HD13 LEU 92 HD13 LEU 92 -2.386 -18.626 15.717 7 HD21 LEU 92 HD21 LEU 92 0.411 -21.101 15.776 8 HD23 LEU 92 HD22 LEU 92 -0.924 -21.165 14.622 9 HD22 LEU 92 HD23 LEU 92 -1.238 -20.788 16.318 10 H LEU 92 HN LEU 92 2.062 -17.702 15.825 11 HB3 LEU 92 HB1 LEU 92 0.393 -19.502 13.201 No H/Q in entry = 11 In of MODEL 17 1 HA GLU 93 HA GLU 93 4.527 -18.020 11.250 2 HB2 GLU 93 HB2 GLU 93 5.038 -15.545 12.977 3 HG2 GLU 93 HG2 GLU 93 3.438 -15.723 10.410 4 H GLU 93 HN GLU 93 3.450 -17.202 13.826 5 HB3 GLU 93 HB1 GLU 93 5.677 -15.764 11.351 6 HG3 GLU 93 HG1 GLU 93 2.720 -15.657 12.016 No H/Q in entry = 6 In of MODEL 17 1 HA3 GLY 94 HA2 GLY 94 7.467 -19.271 15.391 2 H GLY 94 HN GLY 94 5.508 -18.222 14.556 3 HA2 GLY 94 HA1 GLY 94 8.310 -18.919 13.892 No H/Q in entry = 3 In of MODEL 17 1 HA ARG 95 HA ARG 95 8.995 -14.611 15.326 2 HB2 ARG 95 HB2 ARG 95 7.274 -13.784 13.739 3 HG2 ARG 95 HG2 ARG 95 7.587 -12.214 16.295 4 HD2 ARG 95 HD2 ARG 95 5.404 -11.490 15.614 5 HE ARG 95 HE ARG 95 5.169 -12.237 13.367 6 HH11 ARG 95 HH11 ARG 95 7.085 -9.301 13.566 7 HH12 ARG 95 HH12 ARG 95 6.723 -8.821 11.940 8 HH21 ARG 95 HH21 ARG 95 4.688 -11.606 11.279 9 HH22 ARG 95 HH22 ARG 95 5.355 -10.134 10.640 10 H ARG 95 HN ARG 95 6.810 -16.155 14.389 11 HB3 ARG 95 HB1 ARG 95 6.054 -13.914 14.992 12 HG3 ARG 95 HG1 ARG 95 8.273 -11.899 14.698 13 HD3 ARG 95 HD1 ARG 95 6.558 -10.262 15.080 No H/Q in entry = 13 In of MODEL 17 1 HA ARG 96 HA ARG 96 7.797 -15.309 19.619 2 HB2 ARG 96 HB2 ARG 96 10.817 -15.385 19.322 3 HG2 ARG 96 HG2 ARG 96 9.002 -17.679 20.101 4 HD2 ARG 96 HD2 ARG 96 11.677 -17.763 18.690 5 HE ARG 96 HE ARG 96 10.374 -19.847 20.343 6 HH11 ARG 96 HH11 ARG 96 11.827 -18.948 17.252 7 HH12 ARG 96 HH12 ARG 96 11.940 -20.593 16.711 8 HH21 ARG 96 HH21 ARG 96 10.550 -21.952 19.634 9 HH22 ARG 96 HH22 ARG 96 11.209 -22.287 18.068 10 H ARG 96 HN ARG 96 9.644 -14.895 17.388 11 HB3 ARG 96 HB1 ARG 96 9.997 -15.664 20.859 12 HG3 ARG 96 HG1 ARG 96 9.349 -17.323 18.407 13 HD3 ARG 96 HD1 ARG 96 11.538 -17.760 20.451 No H/Q in entry = 13 In of MODEL 17 1 HA3 GLY 97 HA2 GLY 97 8.482 -10.791 20.050 2 H GLY 97 HN GLY 97 9.590 -12.738 18.215 3 HA2 GLY 97 HA1 GLY 97 10.240 -10.944 20.153 No H/Q in entry = 3 In of MODEL 17 1 HA SER 98 HA SER 98 9.839 -8.106 16.649 2 HB2 SER 98 HB2 SER 98 10.744 -6.400 18.194 3 HG SER 98 HG SER 98 11.258 -5.550 16.345 4 H SER 98 HN SER 98 10.633 -8.853 19.290 5 HB3 SER 98 HB1 SER 98 12.292 -7.232 18.253 No H/Q in entry = 5 In of MODEL 17 1 HA ALA 99 HA ALA 99 12.340 -10.923 14.275 2 HB2 ALA 99 HB1 ALA 99 12.607 -10.146 11.948 3 HB3 ALA 99 HB2 ALA 99 12.052 -8.538 12.417 4 HB1 ALA 99 HB3 ALA 99 10.950 -9.911 12.511 5 H ALA 99 HN ALA 99 10.786 -8.614 14.668 No H/Q in entry = 5 In of MODEL 17 1 HA LYS 100 HA LYS 100 16.021 -7.614 14.190 2 HB2 LYS 100 HB2 LYS 100 14.628 -5.556 14.331 3 HG2 LYS 100 HG2 LYS 100 16.719 -5.579 16.528 4 HD2 LYS 100 HD2 LYS 100 16.846 -3.135 16.171 5 HE2 LYS 100 HE2 LYS 100 14.024 -4.048 16.848 6 HZ2 LYS 100 HZ1 LYS 100 13.813 -1.984 17.995 7 HZ1 LYS 100 HZ2 LYS 100 14.176 -1.665 16.374 8 HZ3 LYS 100 HZ3 LYS 100 15.375 -1.512 17.555 9 H LYS 100 HN LYS 100 13.251 -7.544 14.499 10 HB3 LYS 100 HB1 LYS 100 14.301 -5.892 16.026 11 HG3 LYS 100 HG1 LYS 100 17.005 -5.195 14.830 12 HD3 LYS 100 HD1 LYS 100 15.517 -3.227 15.013 13 HE3 LYS 100 HE1 LYS 100 15.363 -3.858 17.986 No H/Q in entry = 13 In of MODEL 17 1 HA TRP 101 HA TRP 101 16.070 -8.232 19.101 2 HB2 TRP 101 HB2 TRP 101 13.724 -7.692 19.660 3 HD1 TRP 101 HD1 TRP 101 14.925 -7.588 22.073 4 HE1 TRP 101 HE1 TRP 101 14.872 -9.210 24.064 5 HE3 TRP 101 HE3 TRP 101 13.115 -11.749 19.706 6 HZ2 TRP 101 HZ2 TRP 101 14.190 -11.893 24.566 7 HZ3 TRP 101 HZ3 TRP 101 12.791 -13.811 21.011 8 HH2 TRP 101 HH2 TRP 101 13.320 -13.881 23.402 9 H TRP 101 HN TRP 101 14.095 -7.794 17.197 10 HB3 TRP 101 HB1 TRP 101 13.189 -9.258 19.081 No H/Q in entry = 10 In of MODEL 17 1 HA MET 102 HA MET 102 15.421 -12.946 18.432 2 HB2 MET 102 HB2 MET 102 14.062 -12.693 15.722 3 HG2 MET 102 HG2 MET 102 12.986 -13.613 18.398 4 HE1 MET 102 HE1 MET 102 11.188 -12.342 15.101 5 HE3 MET 102 HE2 MET 102 10.684 -13.872 14.385 6 HE2 MET 102 HE3 MET 102 12.395 -13.456 14.454 7 H MET 102 HN MET 102 14.380 -10.638 17.080 8 HB3 MET 102 HB1 MET 102 14.477 -14.229 16.476 9 HG3 MET 102 HG1 MET 102 12.490 -12.180 17.500 No H/Q in entry = 9 In of MODEL 17 1 HA ALA 103 HA ALA 103 18.619 -12.763 14.900 2 HB2 ALA 103 HB1 ALA 103 19.392 -10.853 13.537 3 HB1 ALA 103 HB2 ALA 103 18.273 -9.781 14.389 4 HB3 ALA 103 HB3 ALA 103 17.650 -11.083 13.374 5 H ALA 103 HN ALA 103 16.572 -10.918 15.821 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 104 HA GLU 104 21.154 -9.901 17.803 2 HB2 GLU 104 HB2 GLU 104 18.807 -8.644 19.300 3 HG2 GLU 104 HG2 GLU 104 20.354 -7.516 16.957 4 H GLU 104 HN GLU 104 18.303 -10.152 17.226 5 HB3 GLU 104 HB1 GLU 104 20.504 -8.159 19.379 6 HG3 GLU 104 HG1 GLU 104 18.646 -7.887 17.004 No H/Q in entry = 6 In of MODEL 17 1 HA HIS 105 HA HIS 105 20.077 -12.783 21.194 2 HB2 HIS 105 HB2 HIS 105 17.036 -12.388 21.177 3 HD1 HIS 105 HD1 HIS 105 19.123 -11.781 24.183 4 HD2 HIS 105 HD2 HIS 105 17.426 -9.548 21.116 5 HE1 HIS 105 HE1 HIS 105 19.336 -9.381 24.882 6 HE2 HIS 105 HE2 HIS 105 18.395 -8.048 22.976 7 H HIS 105 HN HIS 105 18.479 -11.719 18.943 8 HB3 HIS 105 HB1 HIS 105 17.946 -13.216 22.443 No H/Q in entry = 8 In of MODEL 17 1 HA PRO 106 HA PRO 106 19.266 -16.086 18.026 2 HB2 PRO 106 HB2 PRO 106 21.944 -16.994 19.030 3 HG2 PRO 106 HG2 PRO 106 23.110 -15.065 18.401 4 HD2 PRO 106 HD2 PRO 106 21.944 -14.318 20.300 5 HB3 PRO 106 HB1 PRO 106 21.351 -16.824 17.372 6 HG3 PRO 106 HG1 PRO 106 21.823 -14.535 17.296 7 HD3 PRO 106 HD1 PRO 106 21.384 -13.135 19.108 No H/Q in entry = 7 In of MODEL 17 1 HA LEU 107 HA LEU 107 18.003 -18.519 21.501 2 HB2 LEU 107 HB2 LEU 107 15.898 -17.771 20.361 3 HG LEU 107 HG LEU 107 15.919 -20.671 21.281 4 HD12 LEU 107 HD11 LEU 107 14.900 -18.159 22.640 5 HD11 LEU 107 HD12 LEU 107 16.376 -19.040 23.043 6 HD13 LEU 107 HD13 LEU 107 14.806 -19.799 23.285 7 HD21 LEU 107 HD21 LEU 107 14.095 -20.457 19.690 8 HD23 LEU 107 HD22 LEU 107 13.489 -19.033 20.538 9 HD22 LEU 107 HD23 LEU 107 13.468 -20.608 21.332 10 H LEU 107 HN LEU 107 18.048 -17.693 18.681 11 HB3 LEU 107 HB1 LEU 107 16.061 -19.104 19.231 No H/Q in entry = 11 In of MODEL 17 1 HA ALA 108 HA ALA 108 19.492 -22.659 20.555 2 HB1 ALA 108 HB1 ALA 108 18.935 -24.254 22.357 3 HB2 ALA 108 HB2 ALA 108 17.819 -23.082 23.066 4 HB3 ALA 108 HB3 ALA 108 19.551 -22.742 23.027 5 H ALA 108 HN ALA 108 18.153 -20.721 22.157 No H/Q in entry = 5 In of MODEL 17 1 HA SER 109 HA SER 109 15.815 -24.168 18.502 2 HB2 SER 109 HB2 SER 109 15.299 -21.775 18.256 3 HG SER 109 HG SER 109 14.768 -21.844 15.848 4 H SER 109 HN SER 109 18.431 -22.832 18.626 5 HB3 SER 109 HB1 SER 109 16.551 -21.589 17.031 No H/Q in entry = 5 In of MODEL 18 1 H1 MET 1 HT1 MET 1 -4.442 -5.624 -3.127 2 H2 MET 1 HT3 MET 1 -4.510 -5.321 -4.787 3 H3 MET 1 HT2 MET 1 -3.295 -4.617 -3.851 4 HB3 MET 1 HB1 MET 1 -6.829 -4.357 -4.848 5 HG3 MET 1 HG1 MET 1 -7.045 -5.046 -1.916 6 HA MET 1 HA MET 1 -4.897 -2.982 -4.352 7 HB2 MET 1 HB2 MET 1 -7.281 -3.263 -3.549 8 HG2 MET 1 HG2 MET 1 -6.478 -6.151 -3.168 9 HE1 MET 1 HE1 MET 1 -8.842 -6.831 -1.145 10 HE3 MET 1 HE2 MET 1 -8.291 -7.947 -2.398 11 HE2 MET 1 HE3 MET 1 -10.007 -7.577 -2.239 No H/Q in entry = 11 In of MODEL 18 1 HA GLU 2 HA GLU 2 -4.092 -1.785 -0.136 2 HB2 GLU 2 HB2 GLU 2 -1.264 -2.577 -0.964 3 HG2 GLU 2 HG2 GLU 2 -3.200 -4.086 0.810 4 H GLU 2 HN GLU 2 -3.212 -2.226 -2.933 5 HB3 GLU 2 HB1 GLU 2 -1.741 -2.089 0.660 6 HG3 GLU 2 HG1 GLU 2 -2.687 -4.567 -0.807 No H/Q in entry = 6 In of MODEL 18 1 HA VAL 3 HA VAL 3 -1.820 2.006 -0.858 2 HB VAL 3 HB VAL 3 -3.085 3.982 -0.228 3 H VAL 3 HN VAL 3 -3.725 0.257 0.590 No H/Q in entry = 3 In of MODEL 18 1 HA SER 4 HA SER 4 0.374 2.132 2.886 2 HB2 SER 4 HB2 SER 4 1.983 4.099 2.930 3 HG SER 4 HG SER 4 1.325 4.920 0.430 4 H SER 4 HN SER 4 -0.642 3.478 0.549 5 HB3 SER 4 HB1 SER 4 1.961 3.195 1.415 No H/Q in entry = 5 In of MODEL 18 1 HA ALA 5 HA ALA 5 -1.925 5.872 4.878 2 HB1 ALA 5 HB1 ALA 5 -4.101 6.782 4.217 3 HB2 ALA 5 HB2 ALA 5 -4.208 5.627 2.885 4 HB3 ALA 5 HB3 ALA 5 -2.960 6.875 2.874 5 H ALA 5 HN ALA 5 -1.992 4.541 2.351 No H/Q in entry = 5 In of MODEL 18 1 HA ASN 6 HA ASN 6 -3.697 2.497 7.123 2 HB2 ASN 6 HB2 ASN 6 -3.115 4.713 9.134 3 HD21 ASN 6 HD21 ASN 6 -1.043 4.753 9.974 4 HD22 ASN 6 HD22 ASN 6 0.255 3.804 9.342 5 H ASN 6 HN ASN 6 -2.656 5.163 6.771 6 HB3 ASN 6 HB1 ASN 6 -3.495 3.044 9.557 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 7 HA GLU 7 -7.532 5.316 8.021 2 HB2 GLU 7 HB2 GLU 7 -8.666 6.516 6.030 3 HG2 GLU 7 HG2 GLU 7 -7.075 7.431 4.323 4 H GLU 7 HN GLU 7 -5.343 5.152 6.215 5 HB3 GLU 7 HB1 GLU 7 -7.209 7.226 6.702 6 HG3 GLU 7 HG1 GLU 7 -5.895 6.223 4.819 No H/Q in entry = 6 In of MODEL 18 1 HA LEU 8 HA LEU 8 -9.439 2.039 5.064 2 HB2 LEU 8 HB2 LEU 8 -8.035 -0.091 4.311 3 HG LEU 8 HG LEU 8 -5.896 2.049 3.982 4 HD11 LEU 8 HD11 LEU 8 -5.765 1.165 6.242 5 HD13 LEU 8 HD12 LEU 8 -4.392 0.624 5.279 6 HD12 LEU 8 HD13 LEU 8 -5.724 -0.485 5.620 7 HD23 LEU 8 HD21 LEU 8 -5.953 -0.822 3.008 8 HD22 LEU 8 HD22 LEU 8 -4.613 0.315 2.813 9 HD21 LEU 8 HD23 LEU 8 -6.151 0.621 2.011 10 H LEU 8 HN LEU 8 -6.857 3.148 5.370 11 HB3 LEU 8 HB1 LEU 8 -8.151 1.338 3.316 No H/Q in entry = 11 In of MODEL 18 1 HA GLU 9 HA GLU 9 -6.922 0.609 9.484 2 HB2 GLU 9 HB2 GLU 9 -8.887 0.202 10.904 3 HG2 GLU 9 HG2 GLU 9 -10.689 1.082 8.641 4 H GLU 9 HN GLU 9 -7.263 1.835 7.636 5 HB3 GLU 9 HB1 GLU 9 -8.965 1.785 10.151 6 HG3 GLU 9 HG1 GLU 9 -10.474 -0.614 9.073 No H/Q in entry = 6 In of MODEL 18 1 HA ALA 10 HA ALA 10 -7.748 -3.487 7.242 2 HB2 ALA 10 HB1 ALA 10 -5.122 -2.581 6.030 3 HB1 ALA 10 HB2 ALA 10 -6.700 -2.553 5.239 4 HB3 ALA 10 HB3 ALA 10 -5.962 -4.097 5.673 5 H ALA 10 HN ALA 10 -6.645 -0.893 7.146 No H/Q in entry = 5 In of MODEL 18 1 HA ALA 11 HA ALA 11 -3.870 -4.183 10.197 2 HB3 ALA 11 HB1 ALA 11 -3.446 -2.729 12.139 3 HB1 ALA 11 HB2 ALA 11 -4.696 -1.609 11.579 4 HB2 ALA 11 HB3 ALA 11 -3.235 -1.849 10.620 5 H ALA 11 HN ALA 11 -5.205 -1.997 9.090 No H/Q in entry = 5 In of MODEL 18 1 HA SER 12 HA SER 12 -7.515 -4.300 13.450 2 HB2 SER 12 HB2 SER 12 -8.584 -2.091 13.161 3 HG SER 12 HG SER 12 -10.427 -4.262 13.010 4 H SER 12 HN SER 12 -6.848 -2.560 11.345 5 HB3 SER 12 HB1 SER 12 -9.368 -2.642 11.678 No H/Q in entry = 5 In of MODEL 18 1 HA SER 13 HA SER 13 -10.302 -6.453 10.023 2 HB2 SER 13 HB2 SER 13 -10.073 -4.923 8.120 3 HG SER 13 HG SER 13 -10.713 -7.185 7.773 4 H SER 13 HN SER 13 -8.585 -4.280 10.056 5 HB3 SER 13 HB1 SER 13 -8.433 -5.495 7.813 No H/Q in entry = 5 In of MODEL 18 1 HA ARG 14 HA ARG 14 -6.316 -9.108 9.043 2 HB2 ARG 14 HB2 ARG 14 -4.574 -7.027 10.417 3 HG2 ARG 14 HG2 ARG 14 -4.802 -6.793 7.964 4 HD2 ARG 14 HD2 ARG 14 -3.585 -9.571 7.873 5 HE ARG 14 HE ARG 14 -3.252 -7.586 5.992 6 HH11 ARG 14 HH11 ARG 14 -4.743 -10.757 5.977 7 HH12 ARG 14 HH12 ARG 14 -4.329 -11.084 4.328 8 HH21 ARG 14 HH21 ARG 14 -2.703 -8.020 3.839 9 HH22 ARG 14 HH22 ARG 14 -3.156 -9.536 3.122 10 H ARG 14 HN ARG 14 -6.767 -6.410 9.605 11 HB3 ARG 14 HB1 ARG 14 -4.012 -8.681 10.204 12 HG3 ARG 14 HG1 ARG 14 -3.154 -7.200 8.447 13 HD3 ARG 14 HD1 ARG 14 -5.221 -9.142 7.351 No H/Q in entry = 13 In of MODEL 18 1 HA MET 15 HA MET 15 -5.478 -9.664 13.764 2 HB2 MET 15 HB2 MET 15 -7.210 -7.392 14.824 3 HG2 MET 15 HG2 MET 15 -5.483 -6.209 13.673 4 HE3 MET 15 HE1 MET 15 -2.877 -7.134 16.388 5 HE2 MET 15 HE2 MET 15 -1.968 -8.450 15.640 6 HE1 MET 15 HE3 MET 15 -3.622 -8.722 16.178 7 H MET 15 HN MET 15 -6.204 -7.451 12.212 8 HB3 MET 15 HB1 MET 15 -6.041 -8.366 15.712 9 HG3 MET 15 HG1 MET 15 -5.089 -6.199 15.388 No H/Q in entry = 9 In of MODEL 18 1 HA GLU 16 HA GLU 16 -10.330 -10.098 14.528 2 HB2 GLU 16 HB2 GLU 16 -10.946 -8.694 11.889 3 HG2 GLU 16 HG2 GLU 16 -11.599 -7.780 14.704 4 H GLU 16 HN GLU 16 -8.703 -8.371 13.015 5 HB3 GLU 16 HB1 GLU 16 -12.155 -9.393 12.966 6 HG3 GLU 16 HG1 GLU 16 -10.285 -7.128 13.727 No H/Q in entry = 6 In of MODEL 18 1 HA MET 17 HA MET 17 -10.648 -12.765 10.561 2 HB2 MET 17 HB2 MET 17 -8.372 -11.415 9.052 3 HG2 MET 17 HG2 MET 17 -10.359 -10.040 8.975 4 HE3 MET 17 HE1 MET 17 -14.078 -10.600 7.829 5 HE2 MET 17 HE2 MET 17 -12.711 -10.184 6.795 6 HE1 MET 17 HE3 MET 17 -12.890 -9.414 8.374 7 H MET 17 HN MET 17 -9.253 -10.330 11.128 8 HB3 MET 17 HB1 MET 17 -9.268 -12.814 8.460 9 HG3 MET 17 HG1 MET 17 -10.144 -10.831 7.412 No H/Q in entry = 9 In of MODEL 18 1 HA LEU 18 HA LEU 18 -6.305 -14.641 11.492 2 HB2 LEU 18 HB2 LEU 18 -5.617 -12.368 13.398 3 HG LEU 18 HG LEU 18 -5.175 -11.751 11.028 4 HD13 LEU 18 HD11 LEU 18 -2.844 -11.087 11.251 5 HD12 LEU 18 HD12 LEU 18 -2.616 -12.235 12.572 6 HD11 LEU 18 HD13 LEU 18 -3.705 -10.860 12.774 7 HD22 LEU 18 HD21 LEU 18 -3.511 -12.946 9.687 8 HD21 LEU 18 HD22 LEU 18 -4.888 -13.978 10.073 9 HD23 LEU 18 HD23 LEU 18 -3.365 -14.177 10.945 10 H LEU 18 HN LEU 18 -7.470 -12.045 11.855 11 HB3 LEU 18 HB1 LEU 18 -4.637 -13.811 13.204 No H/Q in entry = 11 In of MODEL 18 1 HA GLN 19 HA GLN 19 -8.004 -15.004 16.070 2 HB2 GLN 19 HB2 GLN 19 -10.180 -12.967 15.437 3 HG2 GLN 19 HG2 GLN 19 -8.077 -12.906 17.623 4 HE21 GLN 19 HE21 GLN 19 -7.991 -9.975 16.989 5 HE22 GLN 19 HE22 GLN 19 -9.341 -9.318 17.842 6 H GLN 19 HN GLN 19 -8.232 -13.076 13.999 7 HB3 GLN 19 HB1 GLN 19 -10.166 -13.935 16.908 8 HG3 GLN 19 HG1 GLN 19 -7.961 -12.018 16.107 No H/Q in entry = 8 In of MODEL 18 1 HA ARG 20 HA ARG 20 -11.962 -16.850 14.354 2 HB2 ARG 20 HB2 ARG 20 -13.550 -16.203 12.620 3 HG2 ARG 20 HG2 ARG 20 -11.452 -14.208 11.703 4 HD2 ARG 20 HD2 ARG 20 -13.561 -13.017 11.801 5 HE ARG 20 HE ARG 20 -14.805 -15.268 10.302 6 HH11 ARG 20 HH11 ARG 20 -15.092 -12.665 12.639 7 HH12 ARG 20 HH12 ARG 20 -16.793 -12.907 12.876 8 HH21 ARG 20 HH21 ARG 20 -17.041 -15.581 10.637 9 HH22 ARG 20 HH22 ARG 20 -17.890 -14.561 11.754 10 H ARG 20 HN ARG 20 -10.374 -14.585 13.444 11 HB3 ARG 20 HB1 ARG 20 -13.058 -14.803 13.568 12 HG3 ARG 20 HG1 ARG 20 -12.175 -15.508 10.749 13 HD3 ARG 20 HD1 ARG 20 -13.190 -13.396 10.119 No H/Q in entry = 13 In of MODEL 18 1 HA GLU 21 HA GLU 21 -10.218 -18.656 10.313 2 HB2 GLU 21 HB2 GLU 21 -9.144 -16.622 9.283 3 HG2 GLU 21 HG2 GLU 21 -7.480 -17.716 7.867 4 H GLU 21 HN GLU 21 -9.536 -16.291 11.859 5 HB3 GLU 21 HB1 GLU 21 -7.677 -16.964 10.190 6 HG3 GLU 21 HG1 GLU 21 -7.394 -19.077 8.984 No H/Q in entry = 6 In of MODEL 18 1 HA TYR 22 HA TYR 22 -6.472 -20.413 12.511 2 HB2 TYR 22 HB2 TYR 22 -5.350 -17.843 13.724 3 HD1 TYR 22 HD1 TYR 22 -5.352 -16.436 11.744 4 HD2 TYR 22 HD2 TYR 22 -3.775 -20.397 11.511 5 HE1 TYR 22 HE1 TYR 22 -4.441 -15.948 9.519 6 HE2 TYR 22 HE2 TYR 22 -2.858 -19.902 9.290 7 HH TYR 22 HH TYR 22 -3.334 -18.329 7.413 8 H TYR 22 HN TYR 22 -7.495 -17.675 12.418 9 HB3 TYR 22 HB1 TYR 22 -4.537 -19.408 13.705 No H/Q in entry = 9 In of MODEL 18 1 HA SER 23 HA SER 23 -8.675 -19.304 16.745 2 HB2 SER 23 HB2 SER 23 -6.851 -21.090 16.785 3 HG SER 23 HG SER 23 -7.201 -19.941 19.334 4 H SER 23 HN SER 23 -6.820 -17.977 15.131 5 HB3 SER 23 HB1 SER 23 -5.811 -19.930 17.606 No H/Q in entry = 5 In of MODEL 18 1 HA THR 24 HA THR 24 -7.204 -15.982 19.470 2 HB THR 24 HB THR 24 -8.952 -15.509 21.239 3 HG1 THR 24 HG1 THR 24 -11.014 -16.649 20.902 4 HG22 THR 24 HG21 THR 24 -10.081 -15.653 18.423 5 HG21 THR 24 HG22 THR 24 -9.104 -14.336 19.077 6 HG23 THR 24 HG23 THR 24 -10.708 -14.656 19.742 7 H THR 24 HN THR 24 -8.938 -18.284 18.780 No H/Q in entry = 7 In of MODEL 18 1 HA LEU 25 HA LEU 25 -5.942 -18.620 22.839 2 HB2 LEU 25 HB2 LEU 25 -4.233 -16.636 22.716 3 HG LEU 25 HG LEU 25 -4.517 -18.204 25.318 4 HD12 LEU 25 HD11 LEU 25 -2.917 -18.836 22.819 5 HD11 LEU 25 HD12 LEU 25 -4.417 -19.630 23.310 6 HD13 LEU 25 HD13 LEU 25 -2.974 -19.788 24.302 7 HD21 LEU 25 HD21 LEU 25 -3.014 -16.280 25.608 8 HD23 LEU 25 HD22 LEU 25 -2.086 -16.777 24.189 9 HD22 LEU 25 HD23 LEU 25 -2.116 -17.800 25.628 10 H LEU 25 HN LEU 25 -6.532 -15.918 21.827 11 HB3 LEU 25 HB1 LEU 25 -5.044 -16.040 24.161 No H/Q in entry = 11 In of MODEL 18 1 HA ARG 26 HA ARG 26 -9.423 -17.960 25.505 2 HB2 ARG 26 HB2 ARG 26 -10.366 -20.141 26.198 3 HG2 ARG 26 HG2 ARG 26 -8.125 -21.485 24.658 4 HD2 ARG 26 HD2 ARG 26 -10.423 -22.640 24.861 5 HE ARG 26 HE ARG 26 -10.421 -22.094 27.431 6 HH11 ARG 26 HH11 ARG 26 -9.776 -25.219 25.952 7 HH12 ARG 26 HH12 ARG 26 -10.320 -26.109 27.333 8 HH21 ARG 26 HH21 ARG 26 -11.126 -23.277 29.221 9 HH22 ARG 26 HH22 ARG 26 -11.104 -25.011 29.173 10 H ARG 26 HN ARG 26 -7.347 -19.531 24.200 11 HB3 ARG 26 HB1 ARG 26 -10.060 -20.078 24.464 12 HG3 ARG 26 HG1 ARG 26 -8.142 -21.388 26.415 13 HD3 ARG 26 HD1 ARG 26 -8.989 -23.555 25.343 No H/Q in entry = 13 In of MODEL 18 1 HA SER 27 HA SER 27 -6.560 -18.826 29.157 2 HB2 SER 27 HB2 SER 27 -6.909 -21.813 28.581 3 HG SER 27 HG SER 27 -8.661 -19.811 29.437 4 H SER 27 HN SER 27 -6.543 -19.813 26.429 5 HB3 SER 27 HB1 SER 27 -6.613 -21.118 30.177 No H/Q in entry = 5 In of MODEL 18 1 HA VAL 28 HA VAL 28 -2.441 -20.769 28.751 2 HB VAL 28 HB VAL 28 -2.028 -18.308 30.546 3 H VAL 28 HN VAL 28 -4.617 -19.590 30.354 No H/Q in entry = 3 In of MODEL 18 1 HA GLN 29 HA GLN 29 -1.211 -22.094 32.885 2 HB2 GLN 29 HB2 GLN 29 -1.258 -24.609 32.865 3 HG2 GLN 29 HG2 GLN 29 -1.966 -24.303 29.934 4 HE21 GLN 29 HE21 GLN 29 -1.130 -26.999 29.402 5 HE22 GLN 29 HE22 GLN 29 -2.352 -28.049 30.020 6 H GLN 29 HN GLN 29 -1.064 -22.039 29.967 7 HB3 GLN 29 HB1 GLN 29 -2.739 -23.877 32.249 8 HG3 GLN 29 HG1 GLN 29 -0.517 -25.076 30.562 No H/Q in entry = 8 In of MODEL 18 1 HA TYR 30 HA TYR 30 3.128 -22.164 31.791 2 HB2 TYR 30 HB2 TYR 30 3.128 -20.036 33.024 3 HD1 TYR 30 HD1 TYR 30 4.822 -21.298 35.892 4 HD2 TYR 30 HD2 TYR 30 5.298 -20.828 31.677 5 HE1 TYR 30 HE1 TYR 30 7.262 -21.523 36.133 6 HE2 TYR 30 HE2 TYR 30 7.727 -21.043 31.921 7 HH TYR 30 HH TYR 30 9.444 -20.704 33.691 8 H TYR 30 HN TYR 30 0.794 -21.482 33.345 9 HB3 TYR 30 HB1 TYR 30 2.879 -20.872 34.552 No H/Q in entry = 9 In of MODEL 18 1 HA ARG 31 HA ARG 31 3.633 -25.973 34.140 2 HB2 ARG 31 HB2 ARG 31 5.012 -26.458 31.459 3 HG2 ARG 31 HG2 ARG 31 2.321 -27.474 32.441 4 HD2 ARG 31 HD2 ARG 31 3.895 -28.165 29.939 5 HE ARG 31 HE ARG 31 1.304 -28.104 29.782 6 HH11 ARG 31 HH11 ARG 31 3.117 -30.948 30.751 7 HH12 ARG 31 HH12 ARG 31 2.046 -32.042 29.936 8 HH21 ARG 31 HH21 ARG 31 -0.082 -29.551 28.708 9 HH22 ARG 31 HH22 ARG 31 0.238 -31.257 28.786 10 H ARG 31 HN ARG 31 3.784 -24.266 31.787 11 HB3 ARG 31 HB1 ARG 31 4.804 -27.651 32.738 12 HG3 ARG 31 HG1 ARG 31 2.595 -26.379 31.079 13 HD3 ARG 31 HD1 ARG 31 3.562 -29.256 31.288 No H/Q in entry = 13 In of MODEL 18 1 HA SER 32 HA SER 32 7.650 -24.277 35.352 2 HB2 SER 32 HB2 SER 32 7.659 -24.563 37.956 3 HG SER 32 HG SER 32 5.837 -25.989 38.028 4 H SER 32 HN SER 32 4.927 -25.083 35.719 5 HB3 SER 32 HB1 SER 32 6.583 -23.354 37.257 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 33 HA GLU 33 8.134 -28.967 36.612 2 HB2 GLU 33 HB2 GLU 33 5.800 -29.621 34.749 3 HG2 GLU 33 HG2 GLU 33 4.692 -30.592 36.747 4 H GLU 33 HN GLU 33 6.096 -27.285 35.552 5 HB3 GLU 33 HB1 GLU 33 6.785 -30.813 35.583 6 HG3 GLU 33 HG1 GLU 33 5.972 -29.941 37.768 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 34 HA GLU 34 9.553 -29.253 32.132 2 HB2 GLU 34 HB2 GLU 34 7.276 -27.666 30.875 3 HG2 GLU 34 HG2 GLU 34 6.330 -29.634 31.950 4 H GLU 34 HN GLU 34 7.336 -27.775 33.413 5 HB3 GLU 34 HB1 GLU 34 8.447 -28.656 30.009 6 HG3 GLU 34 HG1 GLU 34 6.277 -29.775 30.191 No H/Q in entry = 6 In of MODEL 18 1 HA3 GLY 35 HA2 GLY 35 9.567 -24.067 33.202 2 H GLY 35 HN GLY 35 8.621 -26.152 33.277 3 HA2 GLY 35 HA1 GLY 35 10.971 -24.777 32.419 No H/Q in entry = 3 In of MODEL 18 1 HA VAL 36 HA VAL 36 8.208 -23.058 29.044 2 HB VAL 36 HB VAL 36 6.856 -24.484 27.542 3 H VAL 36 HN VAL 36 7.597 -24.804 31.350 No H/Q in entry = 3 In of MODEL 18 1 HA ILE 37 HA ILE 37 4.089 -21.619 30.015 2 HB ILE 37 HB ILE 37 4.806 -19.797 27.669 3 HD13 ILE 37 HD11 ILE 37 6.858 -17.456 29.796 4 HD12 ILE 37 HD12 ILE 37 5.138 -17.254 29.474 5 HD11 ILE 37 HD13 ILE 37 6.237 -17.695 28.163 6 H ILE 37 HN ILE 37 6.506 -21.780 28.355 No H/Q in entry = 6 In of MODEL 18 1 HA VAL 38 HA VAL 38 2.125 -23.625 26.535 2 HB VAL 38 HB VAL 38 0.824 -24.767 29.042 3 H VAL 38 HN VAL 38 2.360 -22.783 29.354 No H/Q in entry = 3 In of MODEL 18 1 HA PHE 39 HA PHE 39 -1.201 -20.669 26.417 2 HB2 PHE 39 HB2 PHE 39 0.005 -20.878 23.616 3 HD1 PHE 39 HD1 PHE 39 -0.276 -17.936 25.867 4 HD2 PHE 39 HD2 PHE 39 2.375 -20.818 24.142 5 HE1 PHE 39 HE1 PHE 39 1.652 -16.611 26.608 6 HE2 PHE 39 HE2 PHE 39 4.296 -19.482 24.881 7 HZ PHE 39 HZ PHE 39 3.935 -17.376 26.112 8 H PHE 39 HN PHE 39 0.960 -22.317 25.396 9 HB3 PHE 39 HB1 PHE 39 -1.076 -19.615 24.191 No H/Q in entry = 9 In of MODEL 18 1 HA ILE 40 HA ILE 40 -3.929 -23.918 24.876 2 HB ILE 40 HB ILE 40 -5.628 -22.543 27.005 3 HD12 ILE 40 HD11 ILE 40 -5.751 -25.122 28.842 4 HD11 ILE 40 HD12 ILE 40 -5.458 -23.479 29.420 5 HD13 ILE 40 HD13 ILE 40 -4.292 -24.756 29.760 6 H ILE 40 HN ILE 40 -3.133 -21.740 26.628 No H/Q in entry = 6 In of MODEL 18 1 HA LEU 41 HA LEU 41 -5.696 -21.002 21.977 2 HB2 LEU 41 HB2 LEU 41 -5.581 -23.809 20.805 3 HG LEU 41 HG LEU 41 -3.356 -22.649 21.111 4 HD11 LEU 41 HD11 LEU 41 -4.200 -23.111 18.233 5 HD13 LEU 41 HD12 LEU 41 -3.535 -24.303 19.350 6 HD12 LEU 41 HD13 LEU 41 -2.531 -22.971 18.798 7 HD23 LEU 41 HD21 LEU 41 -4.494 -20.630 19.166 8 HD22 LEU 41 HD22 LEU 41 -2.816 -20.716 19.712 9 HD21 LEU 41 HD23 LEU 41 -4.096 -20.349 20.863 10 H LEU 41 HN LEU 41 -4.633 -23.450 22.936 11 HB3 LEU 41 HB1 LEU 41 -6.137 -22.416 19.885 No H/Q in entry = 11 In of MODEL 18 1 HA ALA 42 HA ALA 42 -10.042 -21.386 22.483 2 HB1 ALA 42 HB1 ALA 42 -9.945 -20.313 19.641 3 HB2 ALA 42 HB2 ALA 42 -9.914 -19.344 21.114 4 HB3 ALA 42 HB3 ALA 42 -11.352 -20.285 20.712 5 H ALA 42 HN ALA 42 -7.781 -20.735 20.897 No H/Q in entry = 5 In of MODEL 18 1 HA ASN 43 HA ASN 43 -10.693 -24.855 19.314 2 HB2 ASN 43 HB2 ASN 43 -9.306 -25.728 17.485 3 HD21 ASN 43 HD21 ASN 43 -7.631 -22.682 17.695 4 HD22 ASN 43 HD22 ASN 43 -6.034 -23.337 17.683 5 H ASN 43 HN ASN 43 -8.609 -22.845 19.633 6 HB3 ASN 43 HB1 ASN 43 -9.461 -23.985 17.339 No H/Q in entry = 6 In of MODEL 18 1 HA ASP 44 HA ASP 44 -8.312 -25.680 23.573 2 HB2 ASP 44 HB2 ASP 44 -10.396 -26.916 22.853 3 H ASP 44 HN ASP 44 -8.674 -24.447 21.733 4 HB3 ASP 44 HB1 ASP 44 -9.366 -28.104 22.067 No H/Q in entry = 4 In of MODEL 18 1 HA ARG 45 HA ARG 45 -4.780 -28.070 21.461 2 HB2 ARG 45 HB2 ARG 45 -5.260 -27.305 19.144 3 HG2 ARG 45 HG2 ARG 45 -2.361 -27.163 20.012 4 HD2 ARG 45 HD2 ARG 45 -3.457 -26.979 17.193 5 HE ARG 45 HE ARG 45 -1.572 -28.094 16.624 6 HH11 ARG 45 HH11 ARG 45 -0.695 -26.133 19.422 7 HH12 ARG 45 HH12 ARG 45 1.002 -26.417 19.230 8 HH21 ARG 45 HH21 ARG 45 0.665 -28.406 16.371 9 HH22 ARG 45 HH22 ARG 45 1.769 -27.683 17.500 10 H ARG 45 HN ARG 45 -6.508 -25.785 20.933 11 HB3 ARG 45 HB1 ARG 45 -4.497 -25.757 19.497 12 HG3 ARG 45 HG1 ARG 45 -3.200 -28.485 19.192 13 HD3 ARG 45 HD1 ARG 45 -2.472 -25.772 18.025 No H/Q in entry = 13 In of MODEL 18 1 HA GLU 46 HA GLU 46 -2.053 -25.597 23.936 2 HB2 GLU 46 HB2 GLU 46 -0.986 -28.447 23.976 3 HG2 GLU 46 HG2 GLU 46 -2.672 -26.942 26.014 4 H GLU 46 HN GLU 46 -2.704 -27.977 22.349 5 HB3 GLU 46 HB1 GLU 46 -0.415 -27.163 25.040 6 HG3 GLU 46 HG1 GLU 46 -3.270 -28.209 24.940 No H/Q in entry = 6 In of MODEL 18 1 HA LEU 47 HA LEU 47 1.536 -24.881 21.338 2 HB2 LEU 47 HB2 LEU 47 0.204 -22.267 22.057 3 HG LEU 47 HG LEU 47 -0.522 -23.405 19.935 4 HD11 LEU 47 HD11 LEU 47 -0.672 -20.959 20.102 5 HD13 LEU 47 HD12 LEU 47 -0.290 -21.457 18.457 6 HD12 LEU 47 HD13 LEU 47 0.979 -20.799 19.495 7 HD22 LEU 47 HD21 LEU 47 1.038 -23.584 18.045 8 HD21 LEU 47 HD22 LEU 47 1.608 -24.543 19.415 9 HD23 LEU 47 HD23 LEU 47 2.362 -22.986 19.053 10 H LEU 47 HN LEU 47 -0.695 -24.131 23.110 11 HB3 LEU 47 HB1 LEU 47 1.855 -22.239 21.456 No H/Q in entry = 11 In of MODEL 18 1 HA LYS 48 HA LYS 48 3.945 -24.494 25.043 2 HB2 LYS 48 HB2 LYS 48 3.535 -26.885 24.784 3 HG2 LYS 48 HG2 LYS 48 6.534 -26.513 25.131 4 HD2 LYS 48 HD2 LYS 48 6.365 -28.407 26.710 5 HE2 LYS 48 HE2 LYS 48 5.235 -29.163 23.995 6 HZ1 LYS 48 HZ1 LYS 48 5.176 -30.926 25.668 7 HZ3 LYS 48 HZ2 LYS 48 6.842 -30.754 25.913 8 HZ2 LYS 48 HZ3 LYS 48 6.252 -31.266 24.415 9 H LYS 48 HN LYS 48 3.466 -25.252 22.212 10 HB3 LYS 48 HB1 LYS 48 4.754 -26.996 23.515 11 HG3 LYS 48 HG1 LYS 48 5.344 -26.210 26.395 12 HD3 LYS 48 HD1 LYS 48 4.652 -28.587 26.322 13 HE3 LYS 48 HE1 LYS 48 6.950 -28.944 24.358 No H/Q in entry = 13 In of MODEL 18 1 HA PHE 49 HA PHE 49 7.938 -23.092 23.676 2 HB2 PHE 49 HB2 PHE 49 6.198 -20.584 23.853 3 HD1 PHE 49 HD1 PHE 49 8.439 -21.303 21.050 4 HD2 PHE 49 HD2 PHE 49 4.409 -21.655 22.457 5 HE1 PHE 49 HE1 PHE 49 7.667 -21.751 18.752 6 HE2 PHE 49 HE2 PHE 49 3.653 -22.104 20.160 7 HZ PHE 49 HZ PHE 49 5.275 -22.152 18.307 8 H PHE 49 HN PHE 49 5.350 -22.883 25.097 9 HB3 PHE 49 HB1 PHE 49 7.869 -20.591 23.300 No H/Q in entry = 9 In of MODEL 18 1 HA ARG 50 HA ARG 50 9.402 -22.189 27.764 2 HB2 ARG 50 HB2 ARG 50 11.819 -21.659 25.979 3 HG2 ARG 50 HG2 ARG 50 11.223 -24.128 27.655 4 HD2 ARG 50 HD2 ARG 50 13.640 -23.677 27.429 5 HE ARG 50 HE ARG 50 13.033 -22.972 24.734 6 HH11 ARG 50 HH11 ARG 50 15.605 -24.431 26.635 7 HH12 ARG 50 HH12 ARG 50 16.828 -24.068 25.460 8 HH21 ARG 50 HH21 ARG 50 14.629 -22.491 23.233 9 HH22 ARG 50 HH22 ARG 50 16.275 -22.970 23.529 10 H ARG 50 HN ARG 50 9.696 -22.411 24.920 11 HB3 ARG 50 HB1 ARG 50 11.877 -21.764 27.739 12 HG3 ARG 50 HG1 ARG 50 11.032 -24.034 25.900 13 HD3 ARG 50 HD1 ARG 50 13.167 -25.107 26.504 No H/Q in entry = 13 In of MODEL 18 1 HA PRO 51 HA PRO 51 8.980 -17.730 28.454 2 HB2 PRO 51 HB2 PRO 51 11.348 -18.027 30.316 3 HG2 PRO 51 HG2 PRO 51 10.252 -19.635 31.633 4 HD2 PRO 51 HD2 PRO 51 10.919 -20.889 29.768 5 HB3 PRO 51 HB1 PRO 51 9.791 -17.230 30.596 6 HG3 PRO 51 HG1 PRO 51 8.662 -19.264 30.931 7 HD3 PRO 51 HD1 PRO 51 9.163 -21.161 29.675 No H/Q in entry = 7 In of MODEL 18 1 HA ASP 52 HA ASP 52 13.422 -16.336 27.322 2 HB2 ASP 52 HB2 ASP 52 14.668 -19.113 27.169 3 H ASP 52 HN ASP 52 12.403 -18.826 28.265 4 HB3 ASP 52 HB1 ASP 52 15.525 -17.600 26.867 No H/Q in entry = 4 In of MODEL 18 1 HA ASP 53 HA ASP 53 12.824 -18.410 23.037 2 HB2 ASP 53 HB2 ASP 53 10.370 -19.936 23.988 3 H ASP 53 HN ASP 53 11.847 -18.968 25.679 4 HB3 ASP 53 HB1 ASP 53 10.736 -19.716 22.279 No H/Q in entry = 4 In of MODEL 18 1 HA LEU 54 HA LEU 54 9.237 -15.480 22.739 2 HB2 LEU 54 HB2 LEU 54 8.426 -15.706 25.667 3 HG LEU 54 HG LEU 54 8.513 -17.954 24.579 4 HD13 LEU 54 HD11 LEU 54 6.231 -18.649 25.131 5 HD12 LEU 54 HD12 LEU 54 5.704 -16.963 25.124 6 HD11 LEU 54 HD13 LEU 54 6.867 -17.522 26.330 7 HD22 LEU 54 HD21 LEU 54 8.182 -17.304 22.244 8 HD21 LEU 54 HD22 LEU 54 6.533 -16.779 22.595 9 HD23 LEU 54 HD23 LEU 54 6.962 -18.487 22.720 10 H LEU 54 HN LEU 54 10.948 -16.421 24.991 11 HB3 LEU 54 HB1 LEU 54 7.405 -15.128 24.351 No H/Q in entry = 11 In of MODEL 18 1 HA GLN 55 HA GLN 55 10.659 -11.381 23.369 2 HB2 GLN 55 HB2 GLN 55 9.205 -11.008 21.462 3 HG2 GLN 55 HG2 GLN 55 8.099 -8.829 21.890 4 HE21 GLN 55 HE21 GLN 55 10.520 -8.760 24.392 5 HE22 GLN 55 HE22 GLN 55 11.766 -8.022 23.450 6 H GLN 55 HN GLN 55 8.860 -13.325 22.568 7 HB3 GLN 55 HB1 GLN 55 7.761 -11.144 22.457 8 HG3 GLN 55 HG1 GLN 55 8.404 -9.022 23.613 No H/Q in entry = 8 In of MODEL 18 1 HA ALA 56 HA ALA 56 7.249 -10.023 26.597 2 HB3 ALA 56 HB1 ALA 56 5.489 -11.366 27.704 3 HB1 ALA 56 HB2 ALA 56 5.999 -12.798 26.800 4 HB2 ALA 56 HB3 ALA 56 5.302 -11.424 25.949 5 H ALA 56 HN ALA 56 7.401 -12.011 24.670 No H/Q in entry = 5 In of MODEL 18 1 HA THR 57 HA THR 57 9.098 -12.805 29.755 2 HB THR 57 HB THR 57 8.907 -15.371 29.855 3 HG1 THR 57 HG1 THR 57 9.013 -15.470 27.430 4 HG23 THR 57 HG21 THR 57 6.454 -15.282 29.905 5 HG22 THR 57 HG22 THR 57 6.481 -13.755 29.024 6 HG21 THR 57 HG23 THR 57 7.150 -13.850 30.655 7 H THR 57 HN THR 57 8.517 -13.297 26.905 No H/Q in entry = 7 In of MODEL 18 1 HA TYR 58 HA TYR 58 13.082 -14.171 27.690 2 HB2 TYR 58 HB2 TYR 58 12.538 -12.731 25.617 3 HD1 TYR 58 HD1 TYR 58 14.332 -14.917 26.106 4 HD2 TYR 58 HD2 TYR 58 15.287 -10.799 25.522 5 HE1 TYR 58 HE1 TYR 58 16.528 -15.566 25.224 6 HE2 TYR 58 HE2 TYR 58 17.484 -11.446 24.640 7 HH TYR 58 HH TYR 58 18.267 -14.630 23.743 8 H TYR 58 HN TYR 58 10.898 -12.337 27.348 9 HB3 TYR 58 HB1 TYR 58 13.197 -11.363 26.502 No H/Q in entry = 9 In of MODEL 18 1 HA3 GLY 59 HA2 GLY 59 14.890 -13.492 31.653 2 H GLY 59 HN GLY 59 13.284 -14.184 29.974 3 HA2 GLY 59 HA1 GLY 59 14.620 -11.820 31.196 No H/Q in entry = 3 In of MODEL 18 1 HA ALA 60 HA ALA 60 10.804 -12.046 33.636 2 HB3 ALA 60 HB1 ALA 60 8.572 -12.970 33.168 3 HB1 ALA 60 HB2 ALA 60 9.263 -14.069 31.968 4 HB2 ALA 60 HB3 ALA 60 9.308 -12.328 31.698 5 H ALA 60 HN ALA 60 11.671 -13.574 31.319 No H/Q in entry = 5 In of MODEL 18 1 HA THR 61 HA THR 61 11.019 -15.424 36.493 2 HB THR 61 HB THR 61 10.044 -14.590 38.731 3 HG1 THR 61 HG1 THR 61 9.607 -12.230 38.625 4 HG21 THR 61 HG21 THR 61 12.429 -14.240 38.186 5 HG23 THR 61 HG22 THR 61 11.779 -12.867 39.081 6 HG22 THR 61 HG23 THR 61 12.025 -12.745 37.337 7 H THR 61 HN THR 61 9.843 -12.918 35.526 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 62 HA PRO 62 7.370 -17.920 35.969 2 HB2 PRO 62 HB2 PRO 62 7.394 -19.501 38.264 3 HG2 PRO 62 HG2 PRO 62 9.052 -18.317 39.432 4 HD2 PRO 62 HD2 PRO 62 10.540 -16.863 38.364 5 HB3 PRO 62 HB1 PRO 62 8.435 -19.761 36.858 6 HG3 PRO 62 HG1 PRO 62 10.051 -19.489 38.547 7 HD3 PRO 62 HD1 PRO 62 10.694 -17.906 36.931 No H/Q in entry = 7 In of MODEL 18 1 HA GLU 63 HA GLU 63 4.981 -16.404 39.989 2 HB2 GLU 63 HB2 GLU 63 5.437 -14.333 41.275 3 HG2 GLU 63 HG2 GLU 63 7.908 -14.070 39.530 4 H GLU 63 HN GLU 63 7.601 -16.101 38.979 5 HB3 GLU 63 HB1 GLU 63 6.813 -15.431 41.315 6 HG3 GLU 63 HG1 GLU 63 6.558 -12.939 39.605 No H/Q in entry = 6 In of MODEL 18 1 HA GLN 64 HA GLN 64 4.021 -12.546 37.238 2 HB2 GLN 64 HB2 GLN 64 6.382 -13.057 35.393 3 HG2 GLN 64 HG2 GLN 64 6.036 -10.835 37.423 4 HE21 GLN 64 HE21 GLN 64 7.950 -12.241 34.811 5 HE22 GLN 64 HE22 GLN 64 8.947 -10.856 34.570 6 H GLN 64 HN GLN 64 6.309 -14.267 37.544 7 HB3 GLN 64 HB1 GLN 64 5.253 -11.710 35.271 8 HG3 GLN 64 HG1 GLN 64 7.141 -12.196 37.594 No H/Q in entry = 8 In of MODEL 18 1 HA LEU 65 HA LEU 65 3.080 -15.695 33.803 2 HB2 LEU 65 HB2 LEU 65 4.962 -17.905 34.751 3 HG LEU 65 HG LEU 65 6.459 -16.006 34.409 4 HD11 LEU 65 HD11 LEU 65 7.231 -18.158 33.549 5 HD13 LEU 65 HD12 LEU 65 7.861 -16.820 32.590 6 HD12 LEU 65 HD13 LEU 65 6.527 -17.798 31.970 7 HD21 LEU 65 HD21 LEU 65 4.973 -14.531 33.164 8 HD23 LEU 65 HD22 LEU 65 5.105 -15.561 31.737 9 HD22 LEU 65 HD23 LEU 65 6.524 -14.705 32.348 10 H LEU 65 HN LEU 65 4.923 -15.643 36.116 11 HB3 LEU 65 HB1 LEU 65 4.250 -17.692 33.154 No H/Q in entry = 11 In of MODEL 18 1 HA ARG 66 HA ARG 66 0.728 -18.126 36.940 2 HB2 ARG 66 HB2 ARG 66 1.733 -16.370 39.221 3 HG2 ARG 66 HG2 ARG 66 2.365 -19.260 38.534 4 HD2 ARG 66 HD2 ARG 66 3.839 -19.241 40.494 5 HE ARG 66 HE ARG 66 1.296 -18.467 41.683 6 HH11 ARG 66 HH11 ARG 66 3.109 -21.065 40.203 7 HH12 ARG 66 HH12 ARG 66 2.065 -22.301 40.828 8 HH21 ARG 66 HH21 ARG 66 -0.064 -20.079 42.474 9 HH22 ARG 66 HH22 ARG 66 0.265 -21.743 42.106 10 H ARG 66 HN ARG 66 2.617 -15.857 36.934 11 HB3 ARG 66 HB1 ARG 66 0.601 -17.716 39.396 12 HG3 ARG 66 HG1 ARG 66 3.485 -17.899 38.470 13 HD3 ARG 66 HD1 ARG 66 3.292 -17.613 40.905 No H/Q in entry = 13 In of MODEL 18 1 HA GLU 67 HA GLU 67 -1.913 -14.340 36.961 2 HB2 GLU 67 HB2 GLU 67 -1.461 -11.879 37.456 3 HG2 GLU 67 HG2 GLU 67 1.288 -12.915 38.230 4 H GLU 67 HN GLU 67 1.013 -14.602 37.310 5 HB3 GLU 67 HB1 GLU 67 -1.169 -12.986 38.792 6 HG3 GLU 67 HG1 GLU 67 0.928 -11.670 37.033 No H/Q in entry = 6 In of MODEL 18 1 HA ILE 68 HA ILE 68 -0.911 -12.898 32.832 2 HB ILE 68 HB ILE 68 -1.875 -15.798 32.889 3 HD13 ILE 68 HD11 ILE 68 1.703 -16.928 32.462 4 HD12 ILE 68 HD12 ILE 68 0.482 -16.918 31.193 5 HD11 ILE 68 HD13 ILE 68 0.076 -17.514 32.808 6 H ILE 68 HN ILE 68 -2.618 -14.054 34.926 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 69 HA GLU 69 -5.035 -12.049 31.222 2 HB2 GLU 69 HB2 GLU 69 -4.333 -9.842 32.030 3 HG2 GLU 69 HG2 GLU 69 -5.009 -8.222 30.309 4 H GLU 69 HN GLU 69 -2.086 -11.748 31.412 5 HB3 GLU 69 HB1 GLU 69 -3.147 -9.690 30.745 6 HG3 GLU 69 HG1 GLU 69 -4.966 -9.493 29.094 No H/Q in entry = 6 In of MODEL 18 1 HA ILE 70 HA ILE 70 -4.267 -13.087 26.878 2 HB ILE 70 HB ILE 70 -7.167 -12.100 26.860 3 HD12 ILE 70 HD11 ILE 70 -4.854 -15.030 27.585 4 HD11 ILE 70 HD12 ILE 70 -5.694 -15.564 26.126 5 HD13 ILE 70 HD13 ILE 70 -6.175 -16.193 27.701 6 H ILE 70 HN ILE 70 -5.922 -11.952 28.986 No H/Q in entry = 6 In of MODEL 18 1 HA SER 71 HA SER 71 -2.795 -9.544 24.732 2 HB2 SER 71 HB2 SER 71 -4.160 -11.016 22.463 3 HG SER 71 HG SER 71 -1.477 -10.502 23.195 4 H SER 71 HN SER 71 -4.046 -11.982 24.683 5 HB3 SER 71 HB1 SER 71 -3.381 -9.463 22.171 No H/Q in entry = 5 In of MODEL 18 1 HA PRO 72 HA PRO 72 -6.045 -6.315 24.512 2 HB2 PRO 72 HB2 PRO 72 -4.603 -4.320 23.303 3 HG2 PRO 72 HG2 PRO 72 -2.727 -5.610 22.651 4 HD2 PRO 72 HD2 PRO 72 -2.208 -7.632 23.704 5 HB3 PRO 72 HB1 PRO 72 -4.403 -4.737 25.011 6 HG3 PRO 72 HG1 PRO 72 -2.190 -4.982 24.226 7 HD3 PRO 72 HD1 PRO 72 -2.601 -7.010 25.323 No H/Q in entry = 7 In of MODEL 18 1 HA SER 73 HA SER 73 -6.134 -6.864 19.792 2 HB2 SER 73 HB2 SER 73 -3.754 -8.773 19.666 3 HG SER 73 HG SER 73 -2.725 -6.950 19.950 4 H SER 73 HN SER 73 -4.256 -7.670 21.872 5 HB3 SER 73 HB1 SER 73 -4.625 -8.089 18.290 No H/Q in entry = 5 In of MODEL 18 1 HA3 GLY 74 HA2 GLY 74 -7.412 -10.966 22.724 2 H GLY 74 HN GLY 74 -6.140 -9.148 22.220 3 HA2 GLY 74 HA1 GLY 74 -8.378 -10.606 21.318 No H/Q in entry = 3 In of MODEL 18 1 HA LEU 75 HA LEU 75 -5.799 -13.654 19.141 2 HB2 LEU 75 HB2 LEU 75 -3.617 -11.596 18.815 3 HG LEU 75 HG LEU 75 -5.644 -11.603 17.270 4 HD13 LEU 75 HD11 LEU 75 -4.358 -11.296 15.204 5 HD12 LEU 75 HD12 LEU 75 -2.956 -12.073 15.947 6 HD11 LEU 75 HD13 LEU 75 -3.555 -10.539 16.579 7 HD21 LEU 75 HD21 LEU 75 -5.979 -14.036 17.139 8 HD23 LEU 75 HD22 LEU 75 -4.441 -14.220 16.293 9 HD22 LEU 75 HD23 LEU 75 -5.771 -13.343 15.532 10 H LEU 75 HN LEU 75 -5.254 -11.048 20.241 11 HB3 LEU 75 HB1 LEU 75 -3.289 -13.242 18.296 No H/Q in entry = 11 In of MODEL 18 1 HA3 GLY 76 HA2 GLY 76 -2.369 -15.264 21.753 2 H GLY 76 HN GLY 76 -2.801 -12.535 20.751 3 HA2 GLY 76 HA1 GLY 76 -1.179 -13.968 21.654 No H/Q in entry = 3 In of MODEL 18 1 HA VAL 77 HA VAL 77 -2.483 -13.221 25.784 2 HB VAL 77 HB VAL 77 -0.672 -15.219 25.595 3 H VAL 77 HN VAL 77 -0.586 -13.242 23.535 No H/Q in entry = 3 In of MODEL 18 1 HA TYR 78 HA TYR 78 0.392 -9.863 26.954 2 HB2 TYR 78 HB2 TYR 78 -1.705 -8.827 26.153 3 HD1 TYR 78 HD1 TYR 78 -2.517 -7.352 29.274 4 HD2 TYR 78 HD2 TYR 78 0.529 -7.358 26.271 5 HE1 TYR 78 HE1 TYR 78 -1.764 -5.139 30.031 6 HE2 TYR 78 HE2 TYR 78 1.280 -5.147 27.032 7 HH TYR 78 HH TYR 78 0.148 -3.704 29.943 8 H TYR 78 HN TYR 78 -1.629 -11.862 27.573 9 HB3 TYR 78 HB1 TYR 78 -2.478 -9.133 27.705 No H/Q in entry = 9 In of MODEL 18 1 HA PHE 79 HA PHE 79 0.679 -11.006 31.246 2 HB2 PHE 79 HB2 PHE 79 3.557 -10.817 30.303 3 HD1 PHE 79 HD1 PHE 79 0.603 -12.960 30.281 4 HD2 PHE 79 HD2 PHE 79 4.720 -12.889 29.938 5 HE1 PHE 79 HE1 PHE 79 0.584 -15.182 29.291 6 HE2 PHE 79 HE2 PHE 79 4.669 -15.122 28.945 7 HZ PHE 79 HZ PHE 79 2.608 -16.287 28.635 8 H PHE 79 HN PHE 79 1.709 -10.455 28.584 9 HB3 PHE 79 HB1 PHE 79 2.997 -11.471 31.841 No H/Q in entry = 9 In of MODEL 18 1 HA GLU 80 HA GLU 80 0.503 -6.627 31.692 2 HB2 GLU 80 HB2 GLU 80 -1.646 -7.565 32.564 3 HG2 GLU 80 HG2 GLU 80 -0.489 -5.433 34.383 4 H GLU 80 HN GLU 80 0.019 -9.352 32.279 5 HB3 GLU 80 HB1 GLU 80 -0.871 -7.899 34.107 6 HG3 GLU 80 HG1 GLU 80 -1.399 -5.161 32.897 No H/Q in entry = 6 In of MODEL 18 1 HA THR 81 HA THR 81 2.824 -7.025 35.988 2 HB THR 81 HB THR 81 3.834 -9.832 35.390 3 HG1 THR 81 HG1 THR 81 1.701 -9.304 37.156 4 HG23 THR 81 HG21 THR 81 5.106 -8.698 37.166 5 HG22 THR 81 HG22 THR 81 4.115 -9.996 37.844 6 HG21 THR 81 HG23 THR 81 3.602 -8.313 38.015 7 H THR 81 HN THR 81 1.806 -8.834 34.063 No H/Q in entry = 7 In of MODEL 18 1 HA LEU 82 HA LEU 82 6.617 -6.712 33.300 2 HB2 LEU 82 HB2 LEU 82 7.267 -8.258 31.210 3 HG LEU 82 HG LEU 82 4.931 -9.458 31.239 4 HD11 LEU 82 HD11 LEU 82 6.825 -10.266 29.904 5 HD13 LEU 82 HD12 LEU 82 5.878 -11.601 30.570 6 HD12 LEU 82 HD13 LEU 82 7.433 -11.165 31.299 7 HD22 LEU 82 HD21 LEU 82 4.794 -9.892 33.643 8 HD21 LEU 82 HD22 LEU 82 6.243 -10.892 33.571 9 HD23 LEU 82 HD23 LEU 82 4.771 -11.404 32.740 10 H LEU 82 HN LEU 82 4.036 -8.109 32.927 11 HB3 LEU 82 HB1 LEU 82 7.431 -8.831 32.856 No H/Q in entry = 11 In of MODEL 18 1 HA GLU 83 HA GLU 83 2.638 -5.074 30.465 2 HB2 GLU 83 HB2 GLU 83 5.285 -3.568 30.431 3 HG2 GLU 83 HG2 GLU 83 2.826 -3.103 32.139 4 H GLU 83 HN GLU 83 3.666 -6.402 31.972 5 HB3 GLU 83 HB1 GLU 83 3.751 -2.949 29.825 6 HG3 GLU 83 HG1 GLU 83 4.410 -3.621 32.710 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 84 HA GLU 84 4.634 -6.600 26.655 2 HB2 GLU 84 HB2 GLU 84 6.131 -8.530 28.468 3 HG2 GLU 84 HG2 GLU 84 6.937 -6.132 28.311 4 H GLU 84 HN GLU 84 4.076 -7.408 29.458 5 HB3 GLU 84 HB1 GLU 84 6.262 -8.612 26.716 6 HG3 GLU 84 HG1 GLU 84 8.113 -7.378 27.899 No H/Q in entry = 6 In of MODEL 18 1 HA ASP 85 HA ASP 85 2.071 -10.136 25.898 2 HB2 ASP 85 HB2 ASP 85 0.646 -9.452 24.171 3 H ASP 85 HN ASP 85 4.147 -8.183 25.073 4 HB3 ASP 85 HB1 ASP 85 1.351 -7.920 24.651 No H/Q in entry = 4 In of MODEL 18 1 HA VAL 86 HA VAL 86 4.189 -12.689 22.863 2 HB VAL 86 HB VAL 86 2.429 -14.719 24.372 3 H VAL 86 HN VAL 86 1.913 -12.058 24.663 No H/Q in entry = 3 In of MODEL 18 1 HA SER 87 HA SER 87 0.897 -12.287 19.867 2 HB2 SER 87 HB2 SER 87 2.727 -11.112 18.726 3 HG SER 87 HG SER 87 1.964 -11.449 16.765 4 H SER 87 HN SER 87 3.537 -12.355 20.831 5 HB3 SER 87 HB1 SER 87 3.508 -12.644 18.337 No H/Q in entry = 5 In of MODEL 18 1 HA LEU 88 HA LEU 88 0.154 -16.642 19.595 2 HB2 LEU 88 HB2 LEU 88 -2.152 -15.435 19.812 3 HG LEU 88 HG LEU 88 -2.056 -18.113 18.389 4 HD11 LEU 88 HD11 LEU 88 -2.134 -17.448 21.353 5 HD13 LEU 88 HD12 LEU 88 -0.766 -18.131 20.470 6 HD12 LEU 88 HD13 LEU 88 -2.241 -19.066 20.660 7 HD23 LEU 88 HD21 LEU 88 -4.319 -16.850 19.973 8 HD22 LEU 88 HD22 LEU 88 -4.312 -18.471 19.283 9 HD21 LEU 88 HD23 LEU 88 -4.284 -17.069 18.221 10 H LEU 88 HN LEU 88 -0.477 -13.888 19.358 11 HB3 LEU 88 HB1 LEU 88 -2.271 -15.635 18.081 No H/Q in entry = 11 In of MODEL 18 1 HA ILE 89 HA ILE 89 -0.251 -16.452 14.756 2 HB ILE 89 HB ILE 89 0.239 -13.438 14.682 3 HD12 ILE 89 HD11 ILE 89 -2.439 -16.151 14.746 4 HD11 ILE 89 HD12 ILE 89 -2.550 -15.525 13.098 5 HD13 ILE 89 HD13 ILE 89 -3.723 -15.022 14.314 6 H ILE 89 HN ILE 89 -0.553 -14.583 16.835 No H/Q in entry = 6 In of MODEL 18 1 HA3 GLY 90 HA2 GLY 90 4.372 -14.793 15.017 2 H GLY 90 HN GLY 90 2.011 -14.322 16.436 3 HA2 GLY 90 HA1 GLY 90 4.270 -14.389 16.724 No H/Q in entry = 3 In of MODEL 18 1 HA LEU 91 HA LEU 91 4.950 -18.622 17.950 2 HB2 LEU 91 HB2 LEU 91 1.977 -18.859 18.549 3 HG LEU 91 HG LEU 91 2.944 -17.081 19.939 4 HD11 LEU 91 HD11 LEU 91 1.253 -18.502 20.966 5 HD13 LEU 91 HD12 LEU 91 2.435 -17.982 22.165 6 HD12 LEU 91 HD13 LEU 91 2.496 -19.627 21.524 7 HD22 LEU 91 HD21 LEU 91 5.300 -17.645 19.828 8 HD21 LEU 91 HD22 LEU 91 5.033 -19.126 20.750 9 HD23 LEU 91 HD23 LEU 91 4.798 -17.552 21.514 10 H LEU 91 HN LEU 91 2.881 -16.678 17.671 11 HB3 LEU 91 HB1 LEU 91 3.207 -19.993 19.095 No H/Q in entry = 11 In of MODEL 18 1 HA LEU 92 HA LEU 92 2.140 -21.061 14.863 2 HB2 LEU 92 HB2 LEU 92 0.695 -18.546 13.938 3 HG LEU 92 HG LEU 92 -0.036 -19.366 16.227 4 HD11 LEU 92 HD11 LEU 92 -1.586 -18.107 14.827 5 HD13 LEU 92 HD12 LEU 92 -2.445 -19.340 15.746 6 HD12 LEU 92 HD13 LEU 92 -2.117 -19.592 14.028 7 HD21 LEU 92 HD21 LEU 92 0.388 -21.766 15.938 8 HD23 LEU 92 HD22 LEU 92 -0.891 -21.868 14.724 9 HD22 LEU 92 HD23 LEU 92 -1.291 -21.481 16.400 10 H LEU 92 HN LEU 92 2.063 -18.415 15.951 11 HB3 LEU 92 HB1 LEU 92 0.387 -20.162 13.315 No H/Q in entry = 11 In of MODEL 18 1 HA GLU 93 HA GLU 93 4.586 -19.066 11.373 2 HB2 GLU 93 HB2 GLU 93 4.931 -16.284 12.593 3 HG2 GLU 93 HG2 GLU 93 2.556 -16.626 12.131 4 H GLU 93 HN GLU 93 3.645 -18.029 13.977 5 HB3 GLU 93 HB1 GLU 93 5.344 -16.755 10.948 6 HG3 GLU 93 HG1 GLU 93 3.266 -15.456 11.025 No H/Q in entry = 6 In of MODEL 18 1 HA3 GLY 94 HA2 GLY 94 7.589 -19.674 15.561 2 H GLY 94 HN GLY 94 5.584 -18.985 14.599 3 HA2 GLY 94 HA1 GLY 94 8.338 -19.681 13.975 No H/Q in entry = 3 In of MODEL 18 1 HA ARG 95 HA ARG 95 9.392 -15.342 14.843 2 HB2 ARG 95 HB2 ARG 95 8.070 -14.805 12.747 3 HG2 ARG 95 HG2 ARG 95 8.155 -12.383 14.561 4 HD2 ARG 95 HD2 ARG 95 7.216 -11.966 12.328 5 HE ARG 95 HE ARG 95 9.039 -13.792 11.345 6 HH11 ARG 95 HH11 ARG 95 8.155 -10.507 10.471 7 HH12 ARG 95 HH12 ARG 95 8.518 -10.752 8.797 8 HH21 ARG 95 HH21 ARG 95 9.510 -14.067 9.156 9 HH22 ARG 95 HH22 ARG 95 9.277 -12.749 8.054 10 H ARG 95 HN ARG 95 6.937 -16.734 14.114 11 HB3 ARG 95 HB1 ARG 95 6.782 -14.189 13.771 12 HG3 ARG 95 HG1 ARG 95 9.606 -13.085 13.840 13 HD3 ARG 95 HD1 ARG 95 8.797 -11.193 12.498 No H/Q in entry = 13 In of MODEL 18 1 HA ARG 96 HA ARG 96 7.091 -15.355 18.793 2 HB2 ARG 96 HB2 ARG 96 8.759 -16.118 20.517 3 HG2 ARG 96 HG2 ARG 96 10.731 -15.365 18.525 4 HD2 ARG 96 HD2 ARG 96 10.641 -17.635 17.628 5 HE ARG 96 HE ARG 96 10.437 -18.450 20.371 6 HH11 ARG 96 HH11 ARG 96 11.598 -19.515 17.251 7 HH12 ARG 96 HH12 ARG 96 11.461 -21.198 17.631 8 HH21 ARG 96 HH21 ARG 96 10.264 -20.662 20.868 9 HH22 ARG 96 HH22 ARG 96 10.708 -21.853 19.688 10 H ARG 96 HN ARG 96 9.345 -15.759 17.029 11 HB3 ARG 96 HB1 ARG 96 8.582 -17.207 19.147 12 HG3 ARG 96 HG1 ARG 96 11.000 -15.982 20.153 13 HD3 ARG 96 HD1 ARG 96 12.141 -17.377 18.524 No H/Q in entry = 13 In of MODEL 18 1 HA3 GLY 97 HA2 GLY 97 7.966 -10.898 19.290 2 H GLY 97 HN GLY 97 8.061 -12.916 17.509 3 HA2 GLY 97 HA1 GLY 97 9.682 -11.337 19.291 No H/Q in entry = 3 In of MODEL 18 1 HA SER 98 HA SER 98 9.314 -8.795 15.551 2 HB2 SER 98 HB2 SER 98 11.484 -7.412 17.195 3 HG SER 98 HG SER 98 8.974 -7.352 17.642 4 H SER 98 HN SER 98 10.123 -9.237 18.298 5 HB3 SER 98 HB1 SER 98 10.837 -6.856 15.649 No H/Q in entry = 5 In of MODEL 18 1 HA ALA 99 HA ALA 99 12.480 -11.128 13.529 2 HB3 ALA 99 HB1 ALA 99 12.160 -8.749 11.661 3 HB1 ALA 99 HB2 ALA 99 11.260 -10.265 11.576 4 HB2 ALA 99 HB3 ALA 99 12.997 -10.257 11.267 5 H ALA 99 HN ALA 99 10.669 -8.972 13.714 No H/Q in entry = 5 In of MODEL 18 1 HA LYS 100 HA LYS 100 15.794 -7.559 13.848 2 HB2 LYS 100 HB2 LYS 100 15.591 -5.348 14.935 3 HG2 LYS 100 HG2 LYS 100 12.608 -5.878 15.099 4 HD2 LYS 100 HD2 LYS 100 13.105 -3.547 14.421 5 HE2 LYS 100 HE2 LYS 100 15.346 -3.261 15.413 6 HZ3 LYS 100 HZ1 LYS 100 15.548 -2.832 17.781 7 HZ2 LYS 100 HZ2 LYS 100 15.007 -4.407 17.510 8 HZ1 LYS 100 HZ3 LYS 100 13.922 -3.219 18.016 9 H LYS 100 HN LYS 100 12.990 -7.614 13.794 10 HB3 LYS 100 HB1 LYS 100 14.504 -5.506 13.562 11 HG3 LYS 100 HG1 LYS 100 13.689 -5.716 16.485 12 HD3 LYS 100 HD1 LYS 100 12.394 -3.637 16.033 13 HE3 LYS 100 HE1 LYS 100 14.232 -2.003 15.950 No H/Q in entry = 13 In of MODEL 18 1 HA TRP 101 HA TRP 101 15.149 -7.933 18.708 2 HB2 TRP 101 HB2 TRP 101 12.752 -7.832 19.069 3 HD1 TRP 101 HD1 TRP 101 13.986 -7.902 21.556 4 HE1 TRP 101 HE1 TRP 101 13.884 -9.698 23.382 5 HE3 TRP 101 HE3 TRP 101 12.280 -11.823 18.767 6 HZ2 TRP 101 HZ2 TRP 101 13.208 -12.420 23.625 7 HZ3 TRP 101 HZ3 TRP 101 11.937 -13.995 19.869 8 HH2 TRP 101 HH2 TRP 101 12.388 -14.292 22.252 9 H TRP 101 HN TRP 101 13.421 -7.952 16.508 10 HB3 TRP 101 HB1 TRP 101 12.501 -9.392 18.296 No H/Q in entry = 10 In of MODEL 18 1 HA MET 102 HA MET 102 15.633 -12.654 18.070 2 HB2 MET 102 HB2 MET 102 14.554 -12.695 15.220 3 HG2 MET 102 HG2 MET 102 13.486 -13.909 17.784 4 HE3 MET 102 HE1 MET 102 11.613 -14.566 13.604 5 HE2 MET 102 HE2 MET 102 13.141 -13.712 13.812 6 HE1 MET 102 HE3 MET 102 11.642 -13.004 14.420 7 H MET 102 HN MET 102 14.217 -10.649 16.581 8 HB3 MET 102 HB1 MET 102 15.259 -14.094 16.024 9 HG3 MET 102 HG1 MET 102 12.741 -12.619 16.841 No H/Q in entry = 9 In of MODEL 18 1 HA ALA 103 HA ALA 103 19.132 -11.681 14.991 2 HB3 ALA 103 HB1 ALA 103 17.970 -10.280 13.323 3 HB2 ALA 103 HB2 ALA 103 19.597 -9.672 13.634 4 HB1 ALA 103 HB3 ALA 103 18.194 -8.858 14.342 5 H ALA 103 HN ALA 103 16.638 -10.308 15.664 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 104 HA GLU 104 20.700 -8.197 17.915 2 HB2 GLU 104 HB2 GLU 104 18.029 -7.518 19.224 3 HG2 GLU 104 HG2 GLU 104 19.338 -5.976 16.982 4 H GLU 104 HN GLU 104 18.028 -9.147 17.170 5 HB3 GLU 104 HB1 GLU 104 19.529 -6.592 19.315 6 HG3 GLU 104 HG1 GLU 104 17.967 -7.031 16.775 No H/Q in entry = 6 In of MODEL 18 1 HA HIS 105 HA HIS 105 19.739 -11.027 21.484 2 HB2 HIS 105 HB2 HIS 105 16.701 -10.948 21.128 3 HD1 HIS 105 HD1 HIS 105 18.552 -9.910 24.199 4 HD2 HIS 105 HD2 HIS 105 16.683 -8.126 20.942 5 HE1 HIS 105 HE1 HIS 105 18.408 -7.466 24.755 6 HE2 HIS 105 HE2 HIS 105 17.300 -6.400 22.771 7 H HIS 105 HN HIS 105 18.197 -10.284 19.073 8 HB3 HIS 105 HB1 HIS 105 17.536 -11.594 22.538 No H/Q in entry = 8 In of MODEL 18 1 HA PRO 106 HA PRO 106 19.748 -14.739 18.708 2 HB2 PRO 106 HB2 PRO 106 21.898 -15.895 20.085 3 HG2 PRO 106 HG2 PRO 106 22.210 -14.154 21.633 4 HD2 PRO 106 HD2 PRO 106 21.399 -11.970 21.236 5 HB3 PRO 106 HB1 PRO 106 22.062 -14.818 18.692 6 HG3 PRO 106 HG1 PRO 106 23.282 -13.625 20.316 7 HD3 PRO 106 HD1 PRO 106 21.701 -12.079 19.485 No H/Q in entry = 7 In of MODEL 18 1 HA LEU 107 HA LEU 107 18.177 -17.487 21.888 2 HB2 LEU 107 HB2 LEU 107 16.395 -16.547 20.355 3 HG LEU 107 HG LEU 107 15.919 -19.461 21.107 4 HD12 LEU 107 HD11 LEU 107 14.853 -18.551 23.132 5 HD11 LEU 107 HD12 LEU 107 15.340 -16.921 22.657 6 HD13 LEU 107 HD13 LEU 107 16.564 -18.132 23.043 7 HD23 LEU 107 HD21 LEU 107 13.891 -17.293 20.454 8 HD22 LEU 107 HD22 LEU 107 13.520 -18.914 21.048 9 HD21 LEU 107 HD23 LEU 107 14.260 -18.708 19.462 10 H LEU 107 HN LEU 107 19.257 -16.934 19.193 11 HB3 LEU 107 HB1 LEU 107 16.650 -17.913 19.281 No H/Q in entry = 11 In of MODEL 18 1 HA ALA 108 HA ALA 108 19.907 -21.470 21.033 2 HB1 ALA 108 HB1 ALA 108 19.425 -23.043 22.871 3 HB2 ALA 108 HB2 ALA 108 18.183 -21.952 23.495 4 HB3 ALA 108 HB3 ALA 108 19.877 -21.455 23.492 5 H ALA 108 HN ALA 108 18.243 -19.641 22.485 No H/Q in entry = 5 In of MODEL 18 1 HA SER 109 HA SER 109 16.742 -23.517 18.716 2 HB2 SER 109 HB2 SER 109 16.225 -20.655 17.749 3 HG SER 109 HG SER 109 15.683 -21.028 19.962 4 H SER 109 HN SER 109 18.739 -21.424 19.048 5 HB3 SER 109 HB1 SER 109 15.232 -22.059 17.349 No H/Q in entry = 5 In of MODEL 19 1 H1 MET 1 HT3 MET 1 -12.526 -1.869 -5.862 2 H2 MET 1 HT2 MET 1 -12.109 -1.030 -7.263 3 H3 MET 1 HT1 MET 1 -10.916 -1.804 -6.351 4 HB3 MET 1 HB1 MET 1 -12.738 1.675 -4.813 5 HG3 MET 1 HG1 MET 1 -13.581 0.537 -7.487 6 HA MET 1 HA MET 1 -10.810 0.531 -5.953 7 HB2 MET 1 HB2 MET 1 -13.716 0.238 -5.080 8 HG2 MET 1 HG2 MET 1 -12.480 1.903 -7.281 9 HE1 MET 1 HE1 MET 1 -16.170 0.623 -6.637 10 HE3 MET 1 HE2 MET 1 -16.894 2.058 -5.907 11 HE2 MET 1 HE3 MET 1 -15.651 1.158 -5.039 No H/Q in entry = 11 In of MODEL 19 1 HA GLU 2 HA GLU 2 -10.156 -0.714 -1.716 2 HB2 GLU 2 HB2 GLU 2 -7.429 -0.991 -3.080 3 HG2 GLU 2 HG2 GLU 2 -9.437 -3.128 -2.329 4 H GLU 2 HN GLU 2 -9.357 0.291 -4.391 5 HB3 GLU 2 HB1 GLU 2 -7.805 -1.507 -1.433 6 HG3 GLU 2 HG1 GLU 2 -9.040 -2.622 -3.970 No H/Q in entry = 6 In of MODEL 19 1 HA VAL 3 HA VAL 3 -8.830 3.454 -0.884 2 HB VAL 3 HB VAL 3 -9.971 4.297 1.213 3 H VAL 3 HN VAL 3 -10.220 0.977 -0.336 No H/Q in entry = 3 In of MODEL 19 1 HA SER 4 HA SER 4 -5.529 1.237 1.455 2 HB2 SER 4 HB2 SER 4 -4.681 0.809 -0.813 3 HG SER 4 HG SER 4 -2.544 0.986 -0.373 4 H SER 4 HN SER 4 -6.753 2.304 -0.838 5 HB3 SER 4 HB1 SER 4 -4.284 2.514 -1.024 No H/Q in entry = 5 In of MODEL 19 1 HA ALA 5 HA ALA 5 -4.060 4.876 3.522 2 HB1 ALA 5 HB1 ALA 5 -7.087 4.992 3.864 3 HB3 ALA 5 HB2 ALA 5 -6.159 5.768 2.578 4 HB2 ALA 5 HB3 ALA 5 -5.954 6.291 4.249 5 H ALA 5 HN ALA 5 -5.544 2.422 3.276 No H/Q in entry = 5 In of MODEL 19 1 HA ASN 6 HA ASN 6 -3.924 3.751 7.791 2 HB2 ASN 6 HB2 ASN 6 -4.425 6.745 8.108 3 HD21 ASN 6 HD21 ASN 6 -2.613 8.072 8.163 4 HD22 ASN 6 HD22 ASN 6 -1.066 7.572 7.573 5 H ASN 6 HN ASN 6 -4.326 5.769 5.818 6 HB3 ASN 6 HB1 ASN 6 -3.829 5.687 9.384 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 7 HA GLU 7 -8.416 5.184 8.999 2 HB2 GLU 7 HB2 GLU 7 -10.143 6.197 7.581 3 HG2 GLU 7 HG2 GLU 7 -8.138 5.966 5.311 4 H GLU 7 HN GLU 7 -6.669 5.671 6.785 5 HB3 GLU 7 HB1 GLU 7 -8.647 7.120 7.455 6 HG3 GLU 7 HG1 GLU 7 -9.671 5.110 5.423 No H/Q in entry = 6 In of MODEL 19 1 HA LEU 8 HA LEU 8 -9.811 1.601 6.084 2 HB2 LEU 8 HB2 LEU 8 -7.477 1.838 4.632 3 HG LEU 8 HG LEU 8 -9.029 0.951 3.209 4 HD13 LEU 8 HD11 LEU 8 -8.434 -1.311 2.481 5 HD12 LEU 8 HD12 LEU 8 -7.541 -1.554 3.988 6 HD11 LEU 8 HD13 LEU 8 -7.016 -0.321 2.840 7 HD23 LEU 8 HD21 LEU 8 -10.579 -0.916 3.643 8 HD22 LEU 8 HD22 LEU 8 -10.741 0.374 4.829 9 HD21 LEU 8 HD23 LEU 8 -9.891 -1.110 5.260 10 H LEU 8 HN LEU 8 -7.450 3.201 6.356 11 HB3 LEU 8 HB1 LEU 8 -7.173 0.331 5.458 No H/Q in entry = 11 In of MODEL 19 1 HA GLU 9 HA GLU 9 -6.645 0.668 10.239 2 HB2 GLU 9 HB2 GLU 9 -8.340 -0.188 11.765 3 HG2 GLU 9 HG2 GLU 9 -10.531 0.242 9.748 4 H GLU 9 HN GLU 9 -7.425 1.862 8.494 5 HB3 GLU 9 HB1 GLU 9 -8.889 1.315 11.044 6 HG3 GLU 9 HG1 GLU 9 -9.756 -1.335 9.910 No H/Q in entry = 6 In of MODEL 19 1 HA ALA 10 HA ALA 10 -6.811 -3.031 7.273 2 HB2 ALA 10 HB1 ALA 10 -3.929 -2.094 7.250 3 HB1 ALA 10 HB2 ALA 10 -5.159 -1.706 6.045 4 HB3 ALA 10 HB3 ALA 10 -4.611 -3.372 6.240 5 H ALA 10 HN ALA 10 -5.851 -0.583 8.074 No H/Q in entry = 5 In of MODEL 19 1 HA ALA 11 HA ALA 11 -3.651 -5.254 10.199 2 HB2 ALA 11 HB1 ALA 11 -2.007 -3.486 10.662 3 HB3 ALA 11 HB2 ALA 11 -2.356 -4.447 12.104 4 HB1 ALA 11 HB3 ALA 11 -3.055 -2.834 11.922 5 H ALA 11 HN ALA 11 -4.069 -2.549 9.550 No H/Q in entry = 5 In of MODEL 19 1 HA SER 12 HA SER 12 -6.463 -4.237 14.103 2 HB2 SER 12 HB2 SER 12 -6.823 -1.801 13.845 3 HG SER 12 HG SER 12 -9.457 -2.516 13.992 4 H SER 12 HN SER 12 -5.634 -2.790 11.854 5 HB3 SER 12 HB1 SER 12 -7.991 -2.092 12.554 No H/Q in entry = 5 In of MODEL 19 1 HA SER 13 HA SER 13 -10.189 -5.710 11.447 2 HB2 SER 13 HB2 SER 13 -9.045 -4.755 8.794 3 HG SER 13 HG SER 13 -9.917 -3.238 10.522 4 H SER 13 HN SER 13 -7.916 -4.046 10.869 5 HB3 SER 13 HB1 SER 13 -10.633 -5.505 9.014 No H/Q in entry = 5 In of MODEL 19 1 HA ARG 14 HA ARG 14 -7.306 -8.890 9.216 2 HB2 ARG 14 HB2 ARG 14 -4.775 -7.491 10.186 3 HG2 ARG 14 HG2 ARG 14 -5.442 -6.642 8.002 4 HD2 ARG 14 HD2 ARG 14 -5.341 -8.286 6.012 5 HE ARG 14 HE ARG 14 -7.514 -7.337 7.270 6 HH11 ARG 14 HH11 ARG 14 -6.944 -10.534 5.914 7 HH12 ARG 14 HH12 ARG 14 -8.598 -10.739 5.437 8 HH21 ARG 14 HH21 ARG 14 -9.665 -7.643 6.660 9 HH22 ARG 14 HH22 ARG 14 -10.134 -9.102 5.845 10 H ARG 14 HN ARG 14 -6.941 -6.227 10.132 11 HB3 ARG 14 HB1 ARG 14 -4.779 -9.145 9.588 12 HG3 ARG 14 HG1 ARG 14 -4.006 -7.647 7.847 13 HD3 ARG 14 HD1 ARG 14 -5.657 -9.555 7.197 No H/Q in entry = 13 In of MODEL 19 1 HA MET 15 HA MET 15 -5.775 -9.932 13.715 2 HB2 MET 15 HB2 MET 15 -6.882 -7.365 14.942 3 HG2 MET 15 HG2 MET 15 -4.808 -6.837 13.757 4 HE1 MET 15 HE1 MET 15 -2.533 -7.707 16.611 5 HE3 MET 15 HE2 MET 15 -1.932 -9.331 16.278 6 HE2 MET 15 HE3 MET 15 -3.584 -9.106 16.853 7 H MET 15 HN MET 15 -6.349 -7.537 12.364 8 HB3 MET 15 HB1 MET 15 -6.070 -8.660 15.815 9 HG3 MET 15 HG1 MET 15 -4.594 -6.746 15.498 No H/Q in entry = 9 In of MODEL 19 1 HA GLU 16 HA GLU 16 -10.594 -9.629 14.859 2 HB2 GLU 16 HB2 GLU 16 -11.039 -8.112 12.252 3 HG2 GLU 16 HG2 GLU 16 -10.414 -6.655 14.154 4 H GLU 16 HN GLU 16 -8.809 -8.078 13.386 5 HB3 GLU 16 HB1 GLU 16 -12.350 -8.797 13.210 6 HG3 GLU 16 HG1 GLU 16 -12.057 -6.372 13.578 No H/Q in entry = 6 In of MODEL 19 1 HA MET 17 HA MET 17 -11.429 -12.118 10.778 2 HB2 MET 17 HB2 MET 17 -8.852 -11.149 9.466 3 HG2 MET 17 HG2 MET 17 -10.696 -9.542 9.278 4 HE2 MET 17 HE1 MET 17 -14.234 -9.741 7.508 5 HE1 MET 17 HE2 MET 17 -12.687 -9.410 6.728 6 HE3 MET 17 HE3 MET 17 -13.071 -8.667 8.284 7 H MET 17 HN MET 17 -9.828 -9.910 11.393 8 HB3 MET 17 HB1 MET 17 -9.879 -12.413 8.792 9 HG3 MET 17 HG1 MET 17 -10.320 -10.275 7.718 No H/Q in entry = 9 In of MODEL 19 1 HA LEU 18 HA LEU 18 -7.355 -14.706 11.508 2 HB2 LEU 18 HB2 LEU 18 -6.243 -12.586 13.376 3 HG LEU 18 HG LEU 18 -5.961 -12.112 10.891 4 HD13 LEU 18 HD11 LEU 18 -3.607 -11.491 11.021 5 HD12 LEU 18 HD12 LEU 18 -3.386 -12.537 12.423 6 HD11 LEU 18 HD13 LEU 18 -4.435 -11.125 12.534 7 HD23 LEU 18 HD21 LEU 18 -4.211 -14.581 10.969 8 HD22 LEU 18 HD22 LEU 18 -4.339 -13.441 9.626 9 HD21 LEU 18 HD23 LEU 18 -5.736 -14.404 10.097 10 H LEU 18 HN LEU 18 -8.042 -12.000 11.837 11 HB3 LEU 18 HB1 LEU 18 -5.472 -14.144 13.106 No H/Q in entry = 11 In of MODEL 19 1 HA GLN 19 HA GLN 19 -8.756 -14.868 16.284 2 HB2 GLN 19 HB2 GLN 19 -10.960 -12.868 15.616 3 HG2 GLN 19 HG2 GLN 19 -8.912 -12.553 17.811 4 HE21 GLN 19 HE21 GLN 19 -8.722 -9.751 16.732 5 HE22 GLN 19 HE22 GLN 19 -10.132 -8.953 17.322 6 H GLN 19 HN GLN 19 -8.817 -12.961 14.230 7 HB3 GLN 19 HB1 GLN 19 -10.854 -13.744 17.138 8 HG3 GLN 19 HG1 GLN 19 -8.649 -11.913 16.189 No H/Q in entry = 8 In of MODEL 19 1 HA ARG 20 HA ARG 20 -12.760 -16.649 14.646 2 HB2 ARG 20 HB2 ARG 20 -14.545 -15.695 13.164 3 HG2 ARG 20 HG2 ARG 20 -12.394 -13.754 12.440 4 HD2 ARG 20 HD2 ARG 20 -13.993 -11.916 12.070 5 HE ARG 20 HE ARG 20 -13.148 -12.710 14.680 6 HH11 ARG 20 HH11 ARG 20 -15.197 -10.321 13.130 7 HH12 ARG 20 HH12 ARG 20 -14.948 -9.146 14.379 8 HH21 ARG 20 HH21 ARG 20 -12.825 -11.132 16.290 9 HH22 ARG 20 HH22 ARG 20 -13.587 -9.582 16.133 10 H ARG 20 HN ARG 20 -11.222 -14.287 13.812 11 HB3 ARG 20 HB1 ARG 20 -14.023 -14.628 14.462 12 HG3 ARG 20 HG1 ARG 20 -13.795 -14.293 11.508 13 HD3 ARG 20 HD1 ARG 20 -15.253 -12.835 12.902 No H/Q in entry = 13 In of MODEL 19 1 HA GLU 21 HA GLU 21 -11.358 -17.878 10.328 2 HB2 GLU 21 HB2 GLU 21 -10.057 -15.815 9.688 3 HG2 GLU 21 HG2 GLU 21 -8.474 -16.821 8.091 4 H GLU 21 HN GLU 21 -10.366 -16.026 12.367 5 HB3 GLU 21 HB1 GLU 21 -8.644 -16.492 10.483 6 HG3 GLU 21 HG1 GLU 21 -8.655 -18.384 8.888 No H/Q in entry = 6 In of MODEL 19 1 HA TYR 22 HA TYR 22 -7.899 -20.485 12.067 2 HB2 TYR 22 HB2 TYR 22 -6.112 -18.270 13.172 3 HD1 TYR 22 HD1 TYR 22 -5.969 -16.703 11.354 4 HD2 TYR 22 HD2 TYR 22 -5.578 -20.876 10.549 5 HE1 TYR 22 HE1 TYR 22 -5.281 -16.193 9.049 6 HE2 TYR 22 HE2 TYR 22 -4.884 -20.368 8.247 7 HH TYR 22 HH TYR 22 -4.050 -17.211 7.218 8 H TYR 22 HN TYR 22 -8.397 -17.599 12.326 9 HB3 TYR 22 HB1 TYR 22 -5.638 -19.950 12.933 No H/Q in entry = 9 In of MODEL 19 1 HA SER 23 HA SER 23 -8.894 -19.673 16.662 2 HB2 SER 23 HB2 SER 23 -5.867 -20.067 16.798 3 HG SER 23 HG SER 23 -8.016 -21.709 16.111 4 H SER 23 HN SER 23 -7.243 -18.247 14.793 5 HB3 SER 23 HB1 SER 23 -6.991 -20.513 18.084 No H/Q in entry = 5 In of MODEL 19 1 HA THR 24 HA THR 24 -7.525 -16.217 19.195 2 HB THR 24 HB THR 24 -9.253 -15.983 21.077 3 HG1 THR 24 HG1 THR 24 -10.419 -17.735 21.322 4 HG21 THR 24 HG21 THR 24 -9.469 -14.619 19.034 5 HG23 THR 24 HG22 THR 24 -11.053 -15.082 19.665 6 HG22 THR 24 HG23 THR 24 -10.383 -15.913 18.259 7 H THR 24 HN THR 24 -9.219 -18.507 18.476 No H/Q in entry = 7 In of MODEL 19 1 HA LEU 25 HA LEU 25 -5.884 -18.819 22.463 2 HB2 LEU 25 HB2 LEU 25 -4.304 -16.759 22.187 3 HG LEU 25 HG LEU 25 -4.344 -18.095 24.920 4 HD12 LEU 25 HD11 LEU 25 -2.852 -18.846 22.386 5 HD11 LEU 25 HD12 LEU 25 -4.225 -19.717 23.083 6 HD13 LEU 25 HD13 LEU 25 -2.704 -19.631 23.960 7 HD23 LEU 25 HD21 LEU 25 -1.953 -17.471 25.014 8 HD22 LEU 25 HD22 LEU 25 -2.995 -16.052 24.951 9 HD21 LEU 25 HD23 LEU 25 -2.126 -16.571 23.503 10 H LEU 25 HN LEU 25 -6.586 -16.193 21.368 11 HB3 LEU 25 HB1 LEU 25 -5.105 -16.112 23.605 No H/Q in entry = 11 In of MODEL 19 1 HA ARG 26 HA ARG 26 -9.132 -18.162 25.436 2 HB2 ARG 26 HB2 ARG 26 -10.092 -20.256 26.175 3 HG2 ARG 26 HG2 ARG 26 -7.728 -21.755 25.000 4 HD2 ARG 26 HD2 ARG 26 -9.907 -22.942 24.799 5 HE ARG 26 HE ARG 26 -10.295 -22.095 27.480 6 HH11 ARG 26 HH11 ARG 26 -10.890 -24.899 25.451 7 HH12 ARG 26 HH12 ARG 26 -12.273 -25.402 26.368 8 HH21 ARG 26 HH21 ARG 26 -12.077 -22.771 28.662 9 HH22 ARG 26 HH22 ARG 26 -12.955 -24.183 28.181 10 H ARG 26 HN ARG 26 -6.957 -19.727 24.204 11 HB3 ARG 26 HB1 ARG 26 -9.692 -20.388 24.469 12 HG3 ARG 26 HG1 ARG 26 -8.017 -21.547 26.727 13 HD3 ARG 26 HD1 ARG 26 -8.768 -23.762 25.875 No H/Q in entry = 13 In of MODEL 19 1 HA SER 27 HA SER 27 -6.100 -18.810 28.976 2 HB2 SER 27 HB2 SER 27 -6.419 -21.835 28.605 3 HG SER 27 HG SER 27 -8.065 -19.908 29.901 4 H SER 27 HN SER 27 -6.215 -19.975 26.316 5 HB3 SER 27 HB1 SER 27 -6.023 -21.035 30.128 No H/Q in entry = 5 In of MODEL 19 1 HA VAL 28 HA VAL 28 -1.951 -20.565 28.537 2 HB VAL 28 HB VAL 28 -1.658 -17.782 29.780 3 H VAL 28 HN VAL 28 -4.090 -19.153 29.998 No H/Q in entry = 3 In of MODEL 19 1 HA GLN 29 HA GLN 29 -0.598 -21.227 32.796 2 HB2 GLN 29 HB2 GLN 29 -0.852 -23.681 33.147 3 HG2 GLN 29 HG2 GLN 29 -1.288 -23.812 30.152 4 HE21 GLN 29 HE21 GLN 29 -0.584 -26.631 30.269 5 HE22 GLN 29 HE22 GLN 29 -1.993 -27.453 30.832 6 H GLN 29 HN GLN 29 -0.427 -21.532 29.893 7 HB3 GLN 29 HB1 GLN 29 -2.240 -22.995 32.301 8 HG3 GLN 29 HG1 GLN 29 0.013 -24.589 31.051 No H/Q in entry = 8 In of MODEL 19 1 HA TYR 30 HA TYR 30 3.710 -21.863 31.917 2 HB2 TYR 30 HB2 TYR 30 3.888 -19.796 33.236 3 HD1 TYR 30 HD1 TYR 30 5.530 -21.202 36.016 4 HD2 TYR 30 HD2 TYR 30 5.950 -20.815 31.782 5 HE1 TYR 30 HE1 TYR 30 7.945 -21.631 36.212 6 HE2 TYR 30 HE2 TYR 30 8.361 -21.236 31.979 7 HH TYR 30 HH TYR 30 10.147 -21.067 33.676 8 H TYR 30 HN TYR 30 1.435 -21.138 33.570 9 HB3 TYR 30 HB1 TYR 30 3.602 -20.687 34.729 No H/Q in entry = 9 In of MODEL 19 1 HA ARG 31 HA ARG 31 3.915 -25.782 34.094 2 HB2 ARG 31 HB2 ARG 31 4.754 -26.274 31.209 3 HG2 ARG 31 HG2 ARG 31 2.311 -27.214 32.740 4 HD2 ARG 31 HD2 ARG 31 3.048 -27.697 29.837 5 HE ARG 31 HE ARG 31 0.677 -28.420 31.420 6 HH11 ARG 31 HH11 ARG 31 2.235 -28.386 28.253 7 HH12 ARG 31 HH12 ARG 31 0.824 -28.982 27.445 8 HH21 ARG 31 HH21 ARG 31 -1.107 -29.226 30.348 9 HH22 ARG 31 HH22 ARG 31 -1.074 -29.444 28.630 10 H ARG 31 HN ARG 31 4.040 -24.022 31.778 11 HB3 ARG 31 HB1 ARG 31 4.765 -27.523 32.453 12 HG3 ARG 31 HG1 ARG 31 2.331 -26.013 31.446 13 HD3 ARG 31 HD1 ARG 31 3.188 -28.912 31.112 No H/Q in entry = 13 In of MODEL 19 1 HA SER 32 HA SER 32 8.179 -24.508 35.014 2 HB2 SER 32 HB2 SER 32 6.971 -23.853 37.101 3 HG SER 32 HG SER 32 8.590 -24.579 38.601 4 H SER 32 HN SER 32 5.445 -24.975 35.497 5 HB3 SER 32 HB1 SER 32 6.841 -25.549 37.557 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 33 HA GLU 33 8.194 -29.458 35.699 2 HB2 GLU 33 HB2 GLU 33 5.985 -29.500 33.597 3 HG2 GLU 33 HG2 GLU 33 5.715 -30.252 36.521 4 H GLU 33 HN GLU 33 6.347 -27.445 35.206 5 HB3 GLU 33 HB1 GLU 33 6.695 -30.910 34.384 6 HG3 GLU 33 HG1 GLU 33 5.107 -28.753 35.815 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 34 HA GLU 34 9.723 -29.154 31.258 2 HB2 GLU 34 HB2 GLU 34 7.270 -27.745 30.131 3 HG2 GLU 34 HG2 GLU 34 6.796 -30.051 30.907 4 H GLU 34 HN GLU 34 7.355 -27.989 32.569 5 HB3 GLU 34 HB1 GLU 34 8.602 -28.354 29.149 6 HG3 GLU 34 HG1 GLU 34 6.616 -29.844 29.163 No H/Q in entry = 6 In of MODEL 19 1 HA3 GLY 35 HA2 GLY 35 9.777 -24.225 33.007 2 H GLY 35 HN GLY 35 8.909 -26.339 32.867 3 HA2 GLY 35 HA1 GLY 35 11.149 -24.809 32.073 No H/Q in entry = 3 In of MODEL 19 1 HA VAL 36 HA VAL 36 8.373 -22.790 28.914 2 HB VAL 36 HB VAL 36 7.013 -24.091 27.318 3 H VAL 36 HN VAL 36 7.747 -24.708 31.080 No H/Q in entry = 3 In of MODEL 19 1 HA ILE 37 HA ILE 37 4.280 -21.266 29.869 2 HB ILE 37 HB ILE 37 5.216 -19.495 27.555 3 HD13 ILE 37 HD11 ILE 37 6.908 -17.087 29.937 4 HD12 ILE 37 HD12 ILE 37 5.228 -16.916 29.431 5 HD11 ILE 37 HD13 ILE 37 6.475 -17.309 28.243 6 H ILE 37 HN ILE 37 6.734 -21.452 28.284 No H/Q in entry = 6 In of MODEL 19 1 HA VAL 38 HA VAL 38 2.345 -23.396 26.446 2 HB VAL 38 HB VAL 38 1.000 -24.317 29.024 3 H VAL 38 HN VAL 38 2.513 -22.334 29.193 No H/Q in entry = 3 In of MODEL 19 1 HA PHE 39 HA PHE 39 -0.985 -20.448 26.007 2 HB2 PHE 39 HB2 PHE 39 0.301 -20.785 23.256 3 HD1 PHE 39 HD1 PHE 39 -0.078 -17.661 25.139 4 HD2 PHE 39 HD2 PHE 39 2.639 -20.756 24.004 5 HE1 PHE 39 HE1 PHE 39 1.816 -16.262 25.847 6 HE2 PHE 39 HE2 PHE 39 4.529 -19.373 24.716 7 HZ PHE 39 HZ PHE 39 4.115 -17.109 25.636 8 H PHE 39 HN PHE 39 1.266 -22.089 25.196 9 HB3 PHE 39 HB1 PHE 39 -0.813 -19.510 23.739 No H/Q in entry = 9 In of MODEL 19 1 HA ILE 40 HA ILE 40 -3.441 -23.925 24.485 2 HB ILE 40 HB ILE 40 -4.956 -22.862 26.908 3 HD11 ILE 40 HD11 ILE 40 -4.896 -25.806 28.211 4 HD13 ILE 40 HD12 ILE 40 -4.539 -24.329 29.112 5 HD12 ILE 40 HD13 ILE 40 -3.341 -25.617 29.019 6 H ILE 40 HN ILE 40 -2.734 -21.818 26.367 No H/Q in entry = 6 In of MODEL 19 1 HA LEU 41 HA LEU 41 -5.682 -21.021 21.940 2 HB2 LEU 41 HB2 LEU 41 -5.471 -23.720 20.549 3 HG LEU 41 HG LEU 41 -3.359 -22.469 20.449 4 HD12 LEU 41 HD11 LEU 41 -3.061 -22.240 18.017 5 HD11 LEU 41 HD12 LEU 41 -4.811 -22.307 17.784 6 HD13 LEU 41 HD13 LEU 41 -3.949 -23.708 18.418 7 HD22 LEU 41 HD21 LEU 41 -4.196 -20.240 20.920 8 HD21 LEU 41 HD22 LEU 41 -5.005 -20.176 19.353 9 HD23 LEU 41 HD23 LEU 41 -3.244 -20.231 19.439 10 H LEU 41 HN LEU 41 -4.327 -23.417 22.616 11 HB3 LEU 41 HB1 LEU 41 -6.341 -22.374 19.837 No H/Q in entry = 11 In of MODEL 19 1 HA ALA 42 HA ALA 42 -9.911 -21.831 22.776 2 HB3 ALA 42 HB1 ALA 42 -11.531 -20.967 21.142 3 HB1 ALA 42 HB2 ALA 42 -10.273 -20.926 19.899 4 HB2 ALA 42 HB3 ALA 42 -10.157 -19.873 21.310 5 H ALA 42 HN ALA 42 -7.929 -21.078 20.870 No H/Q in entry = 5 In of MODEL 19 1 HA ASN 43 HA ASN 43 -10.489 -25.633 20.042 2 HB2 ASN 43 HB2 ASN 43 -9.230 -26.580 18.160 3 HD21 ASN 43 HD21 ASN 43 -7.981 -23.350 17.784 4 HD22 ASN 43 HD22 ASN 43 -6.323 -23.799 17.634 5 H ASN 43 HN ASN 43 -8.616 -23.392 19.906 6 HB3 ASN 43 HB1 ASN 43 -9.638 -24.904 17.829 No H/Q in entry = 6 In of MODEL 19 1 HA ASP 44 HA ASP 44 -7.030 -25.536 23.709 2 HB2 ASP 44 HB2 ASP 44 -8.591 -28.054 23.050 3 H ASP 44 HN ASP 44 -8.127 -24.699 21.981 4 HB3 ASP 44 HB1 ASP 44 -7.469 -27.988 24.407 No H/Q in entry = 4 In of MODEL 19 1 HA ARG 45 HA ARG 45 -3.876 -27.749 21.019 2 HB2 ARG 45 HB2 ARG 45 -4.497 -26.788 18.842 3 HG2 ARG 45 HG2 ARG 45 -1.664 -25.995 19.600 4 HD2 ARG 45 HD2 ARG 45 -2.835 -26.349 16.825 5 HE ARG 45 HE ARG 45 -0.235 -26.736 17.557 6 HH11 ARG 45 HH11 ARG 45 -1.789 -24.282 15.582 7 HH12 ARG 45 HH12 ARG 45 -0.394 -24.068 14.577 8 HH21 ARG 45 HH21 ARG 45 1.562 -26.429 16.218 9 HH22 ARG 45 HH22 ARG 45 1.483 -25.258 14.944 10 H ARG 45 HN ARG 45 -5.938 -25.738 20.899 11 HB3 ARG 45 HB1 ARG 45 -4.041 -25.180 19.388 12 HG3 ARG 45 HG1 ARG 45 -2.175 -27.528 18.889 13 HD3 ARG 45 HD1 ARG 45 -2.367 -24.803 17.554 No H/Q in entry = 13 In of MODEL 19 1 HA GLU 46 HA GLU 46 -1.594 -25.372 23.977 2 HB2 GLU 46 HB2 GLU 46 -0.549 -28.226 24.123 3 HG2 GLU 46 HG2 GLU 46 -2.654 -26.784 25.753 4 H GLU 46 HN GLU 46 -2.230 -27.732 22.401 5 HB3 GLU 46 HB1 GLU 46 -0.206 -26.953 25.294 6 HG3 GLU 46 HG1 GLU 46 -2.920 -28.163 24.686 No H/Q in entry = 6 In of MODEL 19 1 HA LEU 47 HA LEU 47 1.921 -24.697 21.276 2 HB2 LEU 47 HB2 LEU 47 0.628 -22.071 22.036 3 HG LEU 47 HG LEU 47 -0.334 -23.227 20.043 4 HD13 LEU 47 HD11 LEU 47 -0.170 -21.339 18.475 5 HD12 LEU 47 HD12 LEU 47 1.217 -20.708 19.368 6 HD11 LEU 47 HD13 LEU 47 -0.369 -20.782 20.138 7 HD23 LEU 47 HD21 LEU 47 2.463 -22.971 18.867 8 HD22 LEU 47 HD22 LEU 47 1.026 -23.549 18.014 9 HD21 LEU 47 HD23 LEU 47 1.687 -24.480 19.361 10 H LEU 47 HN LEU 47 -0.406 -23.958 22.815 11 HB3 LEU 47 HB1 LEU 47 2.214 -22.103 21.282 No H/Q in entry = 11 In of MODEL 19 1 HA LYS 48 HA LYS 48 4.321 -24.526 24.990 2 HB2 LYS 48 HB2 LYS 48 4.155 -26.917 24.463 3 HG2 LYS 48 HG2 LYS 48 7.087 -26.191 24.773 4 HD2 LYS 48 HD2 LYS 48 5.656 -28.773 25.508 5 HE2 LYS 48 HE2 LYS 48 8.572 -27.962 25.769 6 HZ3 LYS 48 HZ1 LYS 48 8.873 -30.158 26.726 7 HZ2 LYS 48 HZ2 LYS 48 8.397 -30.260 25.103 8 HZ1 LYS 48 HZ3 LYS 48 7.282 -30.566 26.336 9 H LYS 48 HN LYS 48 3.761 -25.163 22.164 10 HB3 LYS 48 HB1 LYS 48 5.298 -26.745 23.132 11 HG3 LYS 48 HG1 LYS 48 5.922 -26.391 26.085 12 HD3 LYS 48 HD1 LYS 48 6.768 -28.582 24.148 13 HE3 LYS 48 HE1 LYS 48 7.453 -28.270 27.096 No H/Q in entry = 13 In of MODEL 19 1 HA PHE 49 HA PHE 49 8.055 -22.540 23.624 2 HB2 PHE 49 HB2 PHE 49 6.013 -20.275 23.845 3 HD1 PHE 49 HD1 PHE 49 8.206 -21.629 21.136 4 HD2 PHE 49 HD2 PHE 49 4.212 -20.769 22.369 5 HE1 PHE 49 HE1 PHE 49 7.389 -22.224 18.905 6 HE2 PHE 49 HE2 PHE 49 3.407 -21.370 20.121 7 HZ PHE 49 HZ PHE 49 4.990 -22.100 18.390 8 H PHE 49 HN PHE 49 5.513 -22.721 25.106 9 HB3 PHE 49 HB1 PHE 49 7.635 -20.112 23.180 No H/Q in entry = 9 In of MODEL 19 1 HA ARG 50 HA ARG 50 9.300 -21.696 27.795 2 HB2 ARG 50 HB2 ARG 50 11.868 -21.064 26.278 3 HG2 ARG 50 HG2 ARG 50 11.160 -23.761 27.448 4 HD2 ARG 50 HD2 ARG 50 13.531 -22.720 25.863 5 HE ARG 50 HE ARG 50 13.230 -25.560 26.550 6 HH11 ARG 50 HH11 ARG 50 13.508 -23.135 24.007 7 HH12 ARG 50 HH12 ARG 50 13.968 -24.298 22.804 8 HH21 ARG 50 HH21 ARG 50 13.832 -27.056 24.983 9 HH22 ARG 50 HH22 ARG 50 14.143 -26.526 23.360 10 H ARG 50 HN ARG 50 9.727 -21.941 24.965 11 HB3 ARG 50 HB1 ARG 50 11.732 -21.468 27.984 12 HG3 ARG 50 HG1 ARG 50 11.070 -23.382 25.725 13 HD3 ARG 50 HD1 ARG 50 13.544 -23.421 27.484 No H/Q in entry = 13 In of MODEL 19 1 HA PRO 51 HA PRO 51 8.882 -17.262 28.451 2 HB2 PRO 51 HB2 PRO 51 11.170 -17.477 30.407 3 HG2 PRO 51 HG2 PRO 51 10.127 -19.144 31.681 4 HD2 PRO 51 HD2 PRO 51 10.893 -20.356 29.836 5 HB3 PRO 51 HB1 PRO 51 9.565 -16.760 30.629 6 HG3 PRO 51 HG1 PRO 51 8.537 -18.849 30.947 7 HD3 PRO 51 HD1 PRO 51 9.157 -20.721 29.709 No H/Q in entry = 7 In of MODEL 19 1 HA ASP 52 HA ASP 52 13.278 -15.790 27.461 2 HB2 ASP 52 HB2 ASP 52 15.506 -16.887 27.598 3 H ASP 52 HN ASP 52 12.285 -18.347 28.396 4 HB3 ASP 52 HB1 ASP 52 14.585 -17.033 29.086 No H/Q in entry = 4 In of MODEL 19 1 HA ASP 53 HA ASP 53 13.274 -18.054 23.339 2 HB2 ASP 53 HB2 ASP 53 10.671 -19.458 24.090 3 H ASP 53 HN ASP 53 11.899 -18.383 25.880 4 HB3 ASP 53 HB1 ASP 53 11.352 -19.451 22.468 No H/Q in entry = 4 In of MODEL 19 1 HA LEU 54 HA LEU 54 9.445 -15.323 22.753 2 HB2 LEU 54 HB2 LEU 54 8.584 -15.435 25.671 3 HG LEU 54 HG LEU 54 8.566 -17.706 24.538 4 HD11 LEU 54 HD11 LEU 54 7.103 -17.217 26.425 5 HD13 LEU 54 HD12 LEU 54 6.321 -18.302 25.279 6 HD12 LEU 54 HD13 LEU 54 5.863 -16.596 25.329 7 HD21 LEU 54 HD21 LEU 54 8.058 -16.989 22.247 8 HD23 LEU 54 HD22 LEU 54 6.455 -16.451 22.749 9 HD22 LEU 54 HD23 LEU 54 6.873 -18.163 22.816 10 H LEU 54 HN LEU 54 10.774 -16.511 25.109 11 HB3 LEU 54 HB1 LEU 54 7.610 -14.822 24.334 No H/Q in entry = 11 In of MODEL 19 1 HA GLN 55 HA GLN 55 11.184 -11.375 23.633 2 HB2 GLN 55 HB2 GLN 55 10.240 -10.996 21.422 3 HG2 GLN 55 HG2 GLN 55 9.244 -8.751 23.191 4 HE21 GLN 55 HE21 GLN 55 11.375 -8.463 20.476 5 HE22 GLN 55 HE22 GLN 55 10.282 -7.620 19.443 6 H GLN 55 HN GLN 55 9.289 -13.129 22.526 7 HB3 GLN 55 HB1 GLN 55 8.617 -10.838 22.087 8 HG3 GLN 55 HG1 GLN 55 10.906 -8.923 22.627 No H/Q in entry = 8 In of MODEL 19 1 HA ALA 56 HA ALA 56 7.285 -9.889 26.208 2 HB2 ALA 56 HB1 ALA 56 5.517 -11.520 25.590 3 HB3 ALA 56 HB2 ALA 56 5.551 -11.242 27.333 4 HB1 ALA 56 HB3 ALA 56 6.242 -12.720 26.653 5 H ALA 56 HN ALA 56 7.835 -12.100 24.570 No H/Q in entry = 5 In of MODEL 19 1 HA THR 57 HA THR 57 9.195 -12.227 29.743 2 HB THR 57 HB THR 57 8.859 -14.786 29.997 3 HG1 THR 57 HG1 THR 57 9.024 -14.871 27.480 4 HG23 THR 57 HG21 THR 57 7.136 -13.183 30.629 5 HG22 THR 57 HG22 THR 57 6.391 -14.576 29.836 6 HG21 THR 57 HG23 THR 57 6.598 -13.063 28.955 7 H THR 57 HN THR 57 9.052 -12.840 26.854 No H/Q in entry = 7 In of MODEL 19 1 HA TYR 58 HA TYR 58 13.256 -13.906 28.051 2 HB2 TYR 58 HB2 TYR 58 13.043 -12.459 25.934 3 HD1 TYR 58 HD1 TYR 58 14.593 -14.642 26.177 4 HD2 TYR 58 HD2 TYR 58 15.962 -10.646 26.768 5 HE1 TYR 58 HE1 TYR 58 16.878 -15.372 25.708 6 HE2 TYR 58 HE2 TYR 58 18.268 -11.373 26.294 7 HH TYR 58 HH TYR 58 19.614 -13.443 26.364 8 H TYR 58 HN TYR 58 11.199 -11.983 27.506 9 HB3 TYR 58 HB1 TYR 58 13.616 -11.100 26.903 No H/Q in entry = 9 In of MODEL 19 1 HA3 GLY 59 HA2 GLY 59 14.729 -13.427 32.167 2 H GLY 59 HN GLY 59 13.393 -13.995 30.292 3 HA2 GLY 59 HA1 GLY 59 14.756 -11.750 31.653 No H/Q in entry = 3 In of MODEL 19 1 HA ALA 60 HA ALA 60 10.716 -11.907 33.908 2 HB2 ALA 60 HB1 ALA 60 9.340 -12.105 31.877 3 HB3 ALA 60 HB2 ALA 60 8.503 -12.767 33.278 4 HB1 ALA 60 HB3 ALA 60 9.238 -13.854 32.095 5 H ALA 60 HN ALA 60 11.736 -13.556 31.700 No H/Q in entry = 5 In of MODEL 19 1 HA THR 61 HA THR 61 10.996 -15.268 36.774 2 HB THR 61 HB THR 61 9.865 -14.472 38.978 3 HG1 THR 61 HG1 THR 61 9.646 -12.028 38.803 4 HG21 THR 61 HG21 THR 61 12.042 -12.722 37.769 5 HG23 THR 61 HG22 THR 61 12.298 -14.240 38.633 6 HG22 THR 61 HG23 THR 61 11.649 -12.838 39.487 7 H THR 61 HN THR 61 10.084 -12.683 35.869 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 62 HA PRO 62 7.341 -17.709 36.089 2 HB2 PRO 62 HB2 PRO 62 7.218 -19.342 38.311 3 HG2 PRO 62 HG2 PRO 62 8.711 -18.138 39.672 4 HD2 PRO 62 HD2 PRO 62 10.280 -16.649 38.784 5 HB3 PRO 62 HB1 PRO 62 8.406 -19.541 37.016 6 HG3 PRO 62 HG1 PRO 62 9.812 -19.294 38.893 7 HD3 PRO 62 HD1 PRO 62 10.632 -17.691 37.386 No H/Q in entry = 7 In of MODEL 19 1 HA GLU 63 HA GLU 63 4.719 -16.069 39.869 2 HB2 GLU 63 HB2 GLU 63 5.136 -14.009 41.170 3 HG2 GLU 63 HG2 GLU 63 7.822 -13.836 39.768 4 H GLU 63 HN GLU 63 7.424 -15.812 39.022 5 HB3 GLU 63 HB1 GLU 63 6.477 -15.140 41.342 6 HG3 GLU 63 HG1 GLU 63 6.467 -12.747 39.472 No H/Q in entry = 6 In of MODEL 19 1 HA GLN 64 HA GLN 64 4.179 -12.236 36.924 2 HB2 GLN 64 HB2 GLN 64 6.694 -12.937 35.339 3 HG2 GLN 64 HG2 GLN 64 6.170 -10.666 37.269 4 HE21 GLN 64 HE21 GLN 64 7.713 -9.040 37.391 5 HE22 GLN 64 HE22 GLN 64 8.878 -8.754 36.148 6 H GLN 64 HN GLN 64 6.331 -14.052 37.497 7 HB3 GLN 64 HB1 GLN 64 5.632 -11.575 35.009 8 HG3 GLN 64 HG1 GLN 64 7.333 -11.971 37.473 No H/Q in entry = 8 In of MODEL 19 1 HA LEU 65 HA LEU 65 3.368 -15.502 33.518 2 HB2 LEU 65 HB2 LEU 65 5.113 -17.638 34.861 3 HG LEU 65 HG LEU 65 6.552 -15.715 34.260 4 HD13 LEU 65 HD11 LEU 65 8.123 -16.833 32.766 5 HD12 LEU 65 HD12 LEU 65 6.891 -18.021 32.328 6 HD11 LEU 65 HD13 LEU 65 7.496 -17.942 33.986 7 HD23 LEU 65 HD21 LEU 65 5.380 -15.972 31.482 8 HD22 LEU 65 HD22 LEU 65 6.732 -14.939 31.954 9 HD21 LEU 65 HD23 LEU 65 5.134 -14.642 32.619 10 H LEU 65 HN LEU 65 5.008 -15.401 35.989 11 HB3 LEU 65 HB1 LEU 65 4.462 -17.678 33.221 No H/Q in entry = 11 In of MODEL 19 1 HA ARG 66 HA ARG 66 0.381 -17.385 36.335 2 HB2 ARG 66 HB2 ARG 66 1.136 -15.526 38.640 3 HG2 ARG 66 HG2 ARG 66 1.701 -18.495 38.365 4 HD2 ARG 66 HD2 ARG 66 2.763 -18.314 40.568 5 HE ARG 66 HE ARG 66 0.495 -18.932 40.854 6 HH11 ARG 66 HH11 ARG 66 0.963 -15.472 41.297 7 HH12 ARG 66 HH12 ARG 66 -0.543 -15.252 42.128 8 HH21 ARG 66 HH21 ARG 66 -1.513 -18.606 41.911 9 HH22 ARG 66 HH22 ARG 66 -1.946 -17.020 42.455 10 H ARG 66 HN ARG 66 2.500 -15.328 36.491 11 HB3 ARG 66 HB1 ARG 66 -0.091 -16.795 38.685 12 HG3 ARG 66 HG1 ARG 66 2.904 -17.205 38.366 13 HD3 ARG 66 HD1 ARG 66 2.310 -16.611 40.674 No H/Q in entry = 13 In of MODEL 19 1 HA GLU 67 HA GLU 67 -1.698 -13.117 36.447 2 HB2 GLU 67 HB2 GLU 67 0.783 -11.358 36.622 3 HG2 GLU 67 HG2 GLU 67 -1.190 -12.125 38.786 4 H GLU 67 HN GLU 67 1.052 -13.905 36.832 5 HB3 GLU 67 HB1 GLU 67 -0.888 -10.798 36.686 6 HG3 GLU 67 HG1 GLU 67 0.525 -12.532 38.739 No H/Q in entry = 6 In of MODEL 19 1 HA ILE 68 HA ILE 68 -0.990 -12.694 32.095 2 HB ILE 68 HB ILE 68 -1.780 -15.609 32.598 3 HD11 ILE 68 HD11 ILE 68 0.562 -16.852 31.089 4 HD13 ILE 68 HD12 ILE 68 0.249 -17.230 32.790 5 HD12 ILE 68 HD13 ILE 68 1.833 -16.640 32.291 6 H ILE 68 HN ILE 68 -2.208 -13.877 34.509 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 69 HA GLU 69 -5.290 -12.803 30.745 2 HB2 GLU 69 HB2 GLU 69 -4.926 -10.517 31.747 3 HG2 GLU 69 HG2 GLU 69 -6.419 -10.252 29.129 4 H GLU 69 HN GLU 69 -2.451 -11.957 30.647 5 HB3 GLU 69 HB1 GLU 69 -4.253 -9.969 30.221 6 HG3 GLU 69 HG1 GLU 69 -7.097 -10.974 30.589 No H/Q in entry = 6 In of MODEL 19 1 HA ILE 70 HA ILE 70 -4.535 -13.215 26.385 2 HB ILE 70 HB ILE 70 -7.538 -12.675 26.311 3 HD13 ILE 70 HD11 ILE 70 -5.975 -16.571 27.179 4 HD12 ILE 70 HD12 ILE 70 -4.866 -15.202 27.201 5 HD11 ILE 70 HD13 ILE 70 -5.466 -15.830 25.662 6 H ILE 70 HN ILE 70 -6.337 -12.516 28.547 No H/Q in entry = 6 In of MODEL 19 1 HA SER 71 HA SER 71 -3.328 -9.434 24.808 2 HB2 SER 71 HB2 SER 71 -3.155 -9.278 22.314 3 HG SER 71 HG SER 71 -4.601 -11.722 22.277 4 H SER 71 HN SER 71 -4.357 -11.973 24.368 5 HB3 SER 71 HB1 SER 71 -2.637 -10.847 22.930 No H/Q in entry = 5 In of MODEL 19 1 HA PRO 72 HA PRO 72 -6.700 -6.426 24.334 2 HB2 PRO 72 HB2 PRO 72 -5.443 -4.417 22.902 3 HG2 PRO 72 HG2 PRO 72 -3.519 -5.665 22.295 4 HD2 PRO 72 HD2 PRO 72 -2.793 -7.507 23.576 5 HB3 PRO 72 HB1 PRO 72 -5.181 -4.705 24.630 6 HG3 PRO 72 HG1 PRO 72 -2.985 -4.853 23.785 7 HD3 PRO 72 HD1 PRO 72 -3.324 -6.779 25.110 No H/Q in entry = 7 In of MODEL 19 1 HA SER 73 HA SER 73 -7.192 -7.112 19.673 2 HB2 SER 73 HB2 SER 73 -4.842 -9.030 19.365 3 HG SER 73 HG SER 73 -5.147 -6.274 18.943 4 H SER 73 HN SER 73 -5.073 -7.799 21.559 5 HB3 SER 73 HB1 SER 73 -5.908 -8.483 18.067 No H/Q in entry = 5 In of MODEL 19 1 HA3 GLY 74 HA2 GLY 74 -7.849 -11.409 22.611 2 H GLY 74 HN GLY 74 -6.393 -9.730 21.854 3 HA2 GLY 74 HA1 GLY 74 -8.890 -11.150 21.223 No H/Q in entry = 3 In of MODEL 19 1 HA LEU 75 HA LEU 75 -6.093 -14.014 19.044 2 HB2 LEU 75 HB2 LEU 75 -4.285 -11.678 18.410 3 HG LEU 75 HG LEU 75 -6.411 -12.004 17.084 4 HD12 LEU 75 HD11 LEU 75 -5.367 -11.717 14.876 5 HD11 LEU 75 HD12 LEU 75 -3.825 -12.279 15.527 6 HD13 LEU 75 HD13 LEU 75 -4.540 -10.778 16.120 7 HD21 LEU 75 HD21 LEU 75 -6.490 -14.460 17.149 8 HD23 LEU 75 HD22 LEU 75 -5.033 -14.552 16.155 9 HD22 LEU 75 HD23 LEU 75 -6.519 -13.878 15.486 10 H LEU 75 HN LEU 75 -5.895 -11.278 19.959 11 HB3 LEU 75 HB1 LEU 75 -3.790 -13.295 17.928 No H/Q in entry = 11 In of MODEL 19 1 HA3 GLY 76 HA2 GLY 76 -2.115 -14.742 21.308 2 H GLY 76 HN GLY 76 -3.268 -12.230 20.365 3 HA2 GLY 76 HA1 GLY 76 -1.335 -13.167 21.249 No H/Q in entry = 3 In of MODEL 19 1 HA VAL 77 HA VAL 77 -2.569 -13.022 25.474 2 HB VAL 77 HB VAL 77 -0.632 -14.885 25.222 3 H VAL 77 HN VAL 77 -0.658 -12.823 23.235 No H/Q in entry = 3 In of MODEL 19 1 HA TYR 78 HA TYR 78 0.083 -9.569 26.889 2 HB2 TYR 78 HB2 TYR 78 -2.140 -8.615 26.139 3 HD1 TYR 78 HD1 TYR 78 -2.451 -7.575 29.629 4 HD2 TYR 78 HD2 TYR 78 -0.382 -6.810 25.968 5 HE1 TYR 78 HE1 TYR 78 -1.746 -5.384 30.489 6 HE2 TYR 78 HE2 TYR 78 0.321 -4.619 26.826 7 HH TYR 78 HH TYR 78 -0.054 -3.707 30.119 8 H TYR 78 HN TYR 78 -1.822 -11.715 27.336 9 HB3 TYR 78 HB1 TYR 78 -2.825 -9.020 27.709 No H/Q in entry = 9 In of MODEL 19 1 HA PHE 79 HA PHE 79 0.380 -11.297 31.018 2 HB2 PHE 79 HB2 PHE 79 3.223 -10.626 30.150 3 HD1 PHE 79 HD1 PHE 79 0.557 -13.084 29.986 4 HD2 PHE 79 HD2 PHE 79 4.643 -12.533 29.578 5 HE1 PHE 79 HE1 PHE 79 0.761 -15.246 28.890 6 HE2 PHE 79 HE2 PHE 79 4.798 -14.699 28.469 7 HZ PHE 79 HZ PHE 79 2.880 -16.075 28.131 8 H PHE 79 HN PHE 79 1.399 -10.240 28.516 9 HB3 PHE 79 HB1 PHE 79 2.789 -11.472 31.631 No H/Q in entry = 9 In of MODEL 19 1 HA GLU 80 HA GLU 80 -0.262 -7.313 32.549 2 HB2 GLU 80 HB2 GLU 80 -1.953 -8.697 33.721 3 HG2 GLU 80 HG2 GLU 80 -0.691 -6.658 35.586 4 H GLU 80 HN GLU 80 0.056 -10.148 32.866 5 HB3 GLU 80 HB1 GLU 80 -0.783 -9.073 34.982 6 HG3 GLU 80 HG1 GLU 80 -1.906 -6.318 34.355 No H/Q in entry = 6 In of MODEL 19 1 HA THR 81 HA THR 81 2.672 -7.331 36.424 2 HB THR 81 HB THR 81 4.389 -9.752 35.809 3 HG1 THR 81 HG1 THR 81 2.087 -9.940 37.433 4 HG23 THR 81 HG21 THR 81 4.679 -9.827 38.239 5 HG22 THR 81 HG22 THR 81 3.545 -8.493 38.446 6 HG21 THR 81 HG23 THR 81 5.095 -8.218 37.643 7 H THR 81 HN THR 81 1.792 -9.349 34.658 No H/Q in entry = 7 In of MODEL 19 1 HA LEU 82 HA LEU 82 6.093 -6.424 33.372 2 HB2 LEU 82 HB2 LEU 82 6.720 -7.811 31.204 3 HG LEU 82 HG LEU 82 4.537 -9.233 31.222 4 HD12 LEU 82 HD11 LEU 82 7.169 -10.738 31.177 5 HD11 LEU 82 HD12 LEU 82 6.482 -9.821 29.829 6 HD13 LEU 82 HD13 LEU 82 5.646 -11.253 30.437 7 HD23 LEU 82 HD21 LEU 82 5.993 -10.701 33.440 8 HD22 LEU 82 HD22 LEU 82 4.533 -11.250 32.604 9 HD21 LEU 82 HD23 LEU 82 4.479 -9.806 33.610 10 H LEU 82 HN LEU 82 3.683 -8.128 33.249 11 HB3 LEU 82 HB1 LEU 82 7.039 -8.475 32.795 No H/Q in entry = 11 In of MODEL 19 1 HA GLU 83 HA GLU 83 1.666 -5.680 30.618 2 HB2 GLU 83 HB2 GLU 83 3.791 -3.527 30.949 3 HG2 GLU 83 HG2 GLU 83 0.904 -3.647 31.857 4 H GLU 83 HN GLU 83 2.949 -6.672 32.192 5 HB3 GLU 83 HB1 GLU 83 2.386 -3.302 29.907 6 HG3 GLU 83 HG1 GLU 83 2.322 -3.814 32.895 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 84 HA GLU 84 4.318 -6.467 26.975 2 HB2 GLU 84 HB2 GLU 84 6.236 -6.962 28.707 3 HG2 GLU 84 HG2 GLU 84 7.789 -7.867 27.021 4 H GLU 84 HN GLU 84 3.628 -7.564 29.652 5 HB3 GLU 84 HB1 GLU 84 5.931 -8.655 28.335 6 HG3 GLU 84 HG1 GLU 84 6.431 -8.218 25.962 No H/Q in entry = 6 In of MODEL 19 1 HA ASP 85 HA ASP 85 1.847 -9.872 25.763 2 HB2 ASP 85 HB2 ASP 85 0.759 -9.226 23.712 3 H ASP 85 HN ASP 85 3.808 -7.728 25.222 4 HB3 ASP 85 HB1 ASP 85 1.133 -7.732 24.555 No H/Q in entry = 4 In of MODEL 19 1 HA VAL 86 HA VAL 86 4.098 -12.234 22.602 2 HB VAL 86 HB VAL 86 2.409 -14.402 23.998 3 H VAL 86 HN VAL 86 1.739 -11.689 24.330 No H/Q in entry = 3 In of MODEL 19 1 HA SER 87 HA SER 87 0.715 -11.897 19.727 2 HB2 SER 87 HB2 SER 87 3.272 -11.929 18.069 3 HG SER 87 HG SER 87 2.507 -10.122 19.736 4 H SER 87 HN SER 87 3.443 -11.957 20.564 5 HB3 SER 87 HB1 SER 87 1.668 -11.490 17.473 No H/Q in entry = 5 In of MODEL 19 1 HA LEU 88 HA LEU 88 0.207 -16.262 19.354 2 HB2 LEU 88 HB2 LEU 88 -2.131 -15.329 19.656 3 HG LEU 88 HG LEU 88 -1.915 -17.723 17.803 4 HD12 LEU 88 HD11 LEU 88 -2.204 -17.574 20.820 5 HD11 LEU 88 HD12 LEU 88 -0.721 -17.966 19.942 6 HD13 LEU 88 HD13 LEU 88 -2.107 -19.042 19.847 7 HD23 LEU 88 HD21 LEU 88 -4.317 -16.830 19.441 8 HD22 LEU 88 HD22 LEU 88 -4.198 -18.305 18.480 9 HD21 LEU 88 HD23 LEU 88 -4.180 -16.737 17.684 10 H LEU 88 HN LEU 88 -0.561 -13.571 19.197 11 HB3 LEU 88 HB1 LEU 88 -2.259 -15.217 17.917 No H/Q in entry = 11 In of MODEL 19 1 HA ILE 89 HA ILE 89 -0.365 -16.284 14.562 2 HB ILE 89 HB ILE 89 0.136 -13.291 14.189 3 HD12 ILE 89 HD11 ILE 89 -2.553 -15.963 14.639 4 HD11 ILE 89 HD12 ILE 89 -2.801 -15.428 12.973 5 HD13 ILE 89 HD13 ILE 89 -3.866 -14.850 14.253 6 H ILE 89 HN ILE 89 -0.549 -14.278 16.523 No H/Q in entry = 6 In of MODEL 19 1 HA3 GLY 90 HA2 GLY 90 4.287 -14.699 14.425 2 H GLY 90 HN GLY 90 2.029 -14.088 15.961 3 HA2 GLY 90 HA1 GLY 90 4.310 -14.203 16.118 No H/Q in entry = 3 In of MODEL 19 1 HA LEU 91 HA LEU 91 4.976 -18.311 17.620 2 HB2 LEU 91 HB2 LEU 91 2.028 -18.450 18.369 3 HG LEU 91 HG LEU 91 3.087 -16.591 19.574 4 HD13 LEU 91 HD11 LEU 91 2.620 -17.330 21.875 5 HD12 LEU 91 HD12 LEU 91 2.624 -19.015 21.341 6 HD11 LEU 91 HD13 LEU 91 1.396 -17.897 20.739 7 HD23 LEU 91 HD21 LEU 91 4.995 -17.008 21.124 8 HD22 LEU 91 HD22 LEU 91 5.426 -17.208 19.428 9 HD21 LEU 91 HD23 LEU 91 5.168 -18.628 20.449 10 H LEU 91 HN LEU 91 2.925 -16.372 17.278 11 HB3 LEU 91 HB1 LEU 91 3.259 -19.565 18.946 No H/Q in entry = 11 In of MODEL 19 1 HA LEU 92 HA LEU 92 2.075 -20.917 14.769 2 HB2 LEU 92 HB2 LEU 92 0.609 -18.471 13.703 3 HG LEU 92 HG LEU 92 -0.077 -19.060 16.052 4 HD11 LEU 92 HD11 LEU 92 -1.662 -17.975 14.562 5 HD13 LEU 92 HD12 LEU 92 -2.489 -19.099 15.637 6 HD12 LEU 92 HD13 LEU 92 -2.208 -19.540 13.949 7 HD22 LEU 92 HD21 LEU 92 -1.286 -21.154 16.489 8 HD21 LEU 92 HD22 LEU 92 0.377 -21.471 16.002 9 HD23 LEU 92 HD23 LEU 92 -0.942 -21.716 14.852 10 H LEU 92 HN LEU 92 2.006 -18.232 15.735 11 HB3 LEU 92 HB1 LEU 92 0.282 -20.132 13.219 No H/Q in entry = 11 In of MODEL 19 1 HA GLU 93 HA GLU 93 4.424 -18.838 11.117 2 HB2 GLU 93 HB2 GLU 93 5.242 -16.388 12.766 3 HG2 GLU 93 HG2 GLU 93 2.879 -16.248 11.999 4 H GLU 93 HN GLU 93 3.444 -17.870 13.663 5 HB3 GLU 93 HB1 GLU 93 5.741 -16.701 11.105 6 HG3 GLU 93 HG1 GLU 93 3.930 -15.014 11.311 No H/Q in entry = 6 In of MODEL 19 1 HA3 GLY 94 HA2 GLY 94 7.154 -20.357 15.289 2 H GLY 94 HN GLY 94 5.423 -18.995 14.422 3 HA2 GLY 94 HA1 GLY 94 8.007 -20.262 13.760 No H/Q in entry = 3 In of MODEL 19 1 HA ARG 95 HA ARG 95 9.632 -16.269 15.193 2 HB2 ARG 95 HB2 ARG 95 8.330 -15.270 13.221 3 HG2 ARG 95 HG2 ARG 95 9.013 -13.345 15.458 4 HD2 ARG 95 HD2 ARG 95 7.662 -12.181 13.807 5 HE ARG 95 HE ARG 95 8.983 -13.771 11.870 6 HH11 ARG 95 HH11 ARG 95 7.768 -10.481 12.242 7 HH12 ARG 95 HH12 ARG 95 7.395 -10.314 10.558 8 HH21 ARG 95 HH21 ARG 95 8.481 -13.527 9.685 9 HH22 ARG 95 HH22 ARG 95 7.812 -12.036 9.104 10 H ARG 95 HN ARG 95 7.079 -17.214 14.206 11 HB3 ARG 95 HB1 ARG 95 7.171 -14.648 14.394 12 HG3 ARG 95 HG1 ARG 95 10.114 -13.929 14.207 13 HD3 ARG 95 HD1 ARG 95 9.352 -11.680 13.665 No H/Q in entry = 13 In of MODEL 19 1 HA ARG 96 HA ARG 96 7.471 -16.590 19.194 2 HB2 ARG 96 HB2 ARG 96 10.428 -17.166 19.579 3 HG2 ARG 96 HG2 ARG 96 8.036 -19.016 19.857 4 HD2 ARG 96 HD2 ARG 96 10.144 -19.550 21.181 5 HE ARG 96 HE ARG 96 11.519 -19.078 18.861 6 HH11 ARG 96 HH11 ARG 96 11.263 -21.763 21.092 7 HH12 ARG 96 HH12 ARG 96 12.762 -22.465 20.603 8 HH21 ARG 96 HH21 ARG 96 13.475 -20.031 18.200 9 HH22 ARG 96 HH22 ARG 96 14.016 -21.491 18.956 10 H ARG 96 HN ARG 96 9.609 -16.924 17.355 11 HB3 ARG 96 HB1 ARG 96 9.257 -17.197 20.898 12 HG3 ARG 96 HG1 ARG 96 9.057 -18.936 18.416 13 HD3 ARG 96 HD1 ARG 96 9.574 -20.799 20.070 No H/Q in entry = 13 In of MODEL 19 1 HA3 GLY 97 HA2 GLY 97 8.936 -12.299 19.660 2 H GLY 97 HN GLY 97 10.242 -14.632 18.401 3 HA2 GLY 97 HA1 GLY 97 10.664 -12.583 19.918 No H/Q in entry = 3 In of MODEL 19 1 HA SER 98 HA SER 98 9.453 -10.224 15.898 2 HB2 SER 98 HB2 SER 98 9.208 -8.181 17.230 3 HG SER 98 HG SER 98 9.832 -6.983 15.627 4 H SER 98 HN SER 98 9.692 -10.266 18.635 5 HB3 SER 98 HB1 SER 98 10.913 -8.196 17.656 No H/Q in entry = 5 In of MODEL 19 1 HA ALA 99 HA ALA 99 12.920 -12.003 14.068 2 HB3 ALA 99 HB1 ALA 99 12.370 -9.802 12.055 3 HB1 ALA 99 HB2 ALA 99 11.591 -11.385 12.089 4 HB2 ALA 99 HB3 ALA 99 13.323 -11.257 11.756 5 H ALA 99 HN ALA 99 10.823 -10.182 14.106 No H/Q in entry = 5 In of MODEL 19 1 HA LYS 100 HA LYS 100 15.841 -8.099 14.199 2 HB2 LYS 100 HB2 LYS 100 14.193 -6.252 14.050 3 HG2 LYS 100 HG2 LYS 100 16.093 -5.882 16.388 4 HD2 LYS 100 HD2 LYS 100 14.788 -3.784 14.623 5 HE2 LYS 100 HE2 LYS 100 16.613 -3.460 17.028 6 HZ2 LYS 100 HZ1 LYS 100 16.501 -1.129 16.486 7 HZ1 LYS 100 HZ2 LYS 100 14.949 -1.717 16.802 8 HZ3 LYS 100 HZ3 LYS 100 15.437 -1.436 15.207 9 H LYS 100 HN LYS 100 13.052 -8.487 14.357 10 HB3 LYS 100 HB1 LYS 100 13.769 -6.493 15.741 11 HG3 LYS 100 HG1 LYS 100 16.462 -5.584 14.683 12 HD3 LYS 100 HD1 LYS 100 14.351 -4.110 16.304 13 HE3 LYS 100 HE1 LYS 100 17.083 -3.176 15.349 No H/Q in entry = 13 In of MODEL 19 1 HA TRP 101 HA TRP 101 15.635 -8.409 19.114 2 HB2 TRP 101 HB2 TRP 101 13.275 -8.168 19.665 3 HD1 TRP 101 HD1 TRP 101 14.375 -8.169 22.147 4 HE1 TRP 101 HE1 TRP 101 14.461 -9.965 23.987 5 HE3 TRP 101 HE3 TRP 101 12.983 -12.255 19.385 6 HZ2 TRP 101 HZ2 TRP 101 13.994 -12.730 24.233 7 HZ3 TRP 101 HZ3 TRP 101 12.822 -14.440 20.510 8 HH2 TRP 101 HH2 TRP 101 13.319 -14.669 22.892 9 H TRP 101 HN TRP 101 13.714 -8.350 17.086 10 HB3 TRP 101 HB1 TRP 101 12.883 -9.730 18.955 No H/Q in entry = 10 In of MODEL 19 1 HA MET 102 HA MET 102 15.628 -13.185 18.481 2 HB2 MET 102 HB2 MET 102 13.810 -12.837 16.218 3 HG2 MET 102 HG2 MET 102 14.363 -15.471 17.556 4 HE1 MET 102 HE1 MET 102 13.526 -15.971 14.784 5 HE3 MET 102 HE2 MET 102 12.964 -14.323 14.489 6 HE2 MET 102 HE3 MET 102 11.855 -15.677 14.298 7 H MET 102 HN MET 102 14.448 -11.000 17.064 8 HB3 MET 102 HB1 MET 102 15.028 -14.029 15.809 9 HG3 MET 102 HG1 MET 102 13.473 -14.194 18.377 No H/Q in entry = 9 In of MODEL 19 1 HA ALA 103 HA ALA 103 19.128 -12.528 15.353 2 HB2 ALA 103 HB1 ALA 103 19.755 -10.521 14.052 3 HB1 ALA 103 HB2 ALA 103 18.402 -9.633 14.763 4 HB3 ALA 103 HB3 ALA 103 18.093 -11.012 13.708 5 H ALA 103 HN ALA 103 16.764 -10.980 16.061 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 104 HA GLU 104 20.925 -9.155 18.291 2 HB2 GLU 104 HB2 GLU 104 18.267 -8.333 19.541 3 HG2 GLU 104 HG2 GLU 104 19.807 -6.908 17.371 4 H GLU 104 HN GLU 104 18.232 -9.860 17.477 5 HB3 GLU 104 HB1 GLU 104 19.823 -7.527 19.754 6 HG3 GLU 104 HG1 GLU 104 18.275 -7.719 17.161 No H/Q in entry = 6 In of MODEL 19 1 HA HIS 105 HA HIS 105 20.040 -12.209 21.670 2 HB2 HIS 105 HB2 HIS 105 17.026 -11.707 21.943 3 HD1 HIS 105 HD1 HIS 105 19.873 -10.386 24.063 4 HD2 HIS 105 HD2 HIS 105 16.813 -8.968 21.647 5 HE1 HIS 105 HE1 HIS 105 19.977 -7.894 24.250 6 HE2 HIS 105 HE2 HIS 105 17.966 -7.078 22.982 7 H HIS 105 HN HIS 105 18.431 -11.284 19.394 8 HB3 HIS 105 HB1 HIS 105 18.133 -12.236 23.210 No H/Q in entry = 8 In of MODEL 19 1 HA PRO 106 HA PRO 106 18.298 -15.617 19.012 2 HB2 PRO 106 HB2 PRO 106 20.603 -16.732 18.134 3 HG2 PRO 106 HG2 PRO 106 22.183 -15.505 19.333 4 HD2 PRO 106 HD2 PRO 106 21.547 -13.610 20.493 5 HB3 PRO 106 HB1 PRO 106 19.915 -15.296 17.372 6 HG3 PRO 106 HG1 PRO 106 22.045 -14.475 17.893 7 HD3 PRO 106 HD1 PRO 106 20.895 -12.834 19.036 No H/Q in entry = 7 In of MODEL 19 1 HA LEU 107 HA LEU 107 18.904 -18.570 22.158 2 HB2 LEU 107 HB2 LEU 107 17.131 -19.698 19.985 3 HG LEU 107 HG LEU 107 16.485 -19.047 22.882 4 HD13 LEU 107 HD11 LEU 107 15.085 -17.205 22.027 5 HD12 LEU 107 HD12 LEU 107 15.660 -17.530 20.388 6 HD11 LEU 107 HD13 LEU 107 16.788 -16.963 21.620 7 HD23 LEU 107 HD21 LEU 107 14.692 -19.966 20.623 8 HD22 LEU 107 HD22 LEU 107 14.169 -19.529 22.250 9 HD21 LEU 107 HD23 LEU 107 15.201 -20.935 22.008 10 H LEU 107 HN LEU 107 18.369 -17.872 19.363 11 HB3 LEU 107 HB1 LEU 107 17.535 -20.687 21.375 No H/Q in entry = 11 In of MODEL 19 1 HA ALA 108 HA ALA 108 22.032 -21.575 21.315 2 HB1 ALA 108 HB1 ALA 108 21.687 -21.925 23.737 3 HB2 ALA 108 HB2 ALA 108 22.026 -23.450 22.915 4 HB3 ALA 108 HB3 ALA 108 20.373 -23.051 23.394 5 H ALA 108 HN ALA 108 19.673 -20.728 22.684 No H/Q in entry = 5 In of MODEL 19 1 HA SER 109 HA SER 109 18.906 -24.726 19.427 2 HB2 SER 109 HB2 SER 109 16.941 -24.424 20.925 3 HG SER 109 HG SER 109 16.769 -25.025 18.337 4 H SER 109 HN SER 109 18.653 -22.484 21.198 5 HB3 SER 109 HB1 SER 109 16.500 -22.957 20.060 No H/Q in entry = 5 In of MODEL 20 1 H1 MET 1 HT3 MET 1 -9.766 -9.779 -1.911 2 H2 MET 1 HT2 MET 1 -10.876 -9.283 -0.742 3 H3 MET 1 HT1 MET 1 -11.364 -9.444 -2.355 4 HB3 MET 1 HB1 MET 1 -11.113 -5.786 -1.836 5 HG3 MET 1 HG1 MET 1 -12.852 -8.077 -2.787 6 HA MET 1 HA MET 1 -9.872 -7.670 -3.004 7 HB2 MET 1 HB2 MET 1 -11.843 -6.992 -0.781 8 HG2 MET 1 HG2 MET 1 -12.193 -6.772 -3.776 9 HE1 MET 1 HE1 MET 1 -15.274 -7.550 -3.786 10 HE3 MET 1 HE2 MET 1 -14.624 -6.220 -4.745 11 HE2 MET 1 HE3 MET 1 -16.032 -5.961 -3.715 No H/Q in entry = 11 In of MODEL 20 1 HA GLU 2 HA GLU 2 -6.825 -7.440 0.308 2 HB2 GLU 2 HB2 GLU 2 -5.403 -8.563 -2.134 3 HG2 GLU 2 HG2 GLU 2 -6.840 -10.195 -0.949 4 H GLU 2 HN GLU 2 -7.730 -8.085 -2.385 5 HB3 GLU 2 HB1 GLU 2 -4.576 -8.189 -0.623 6 HG3 GLU 2 HG1 GLU 2 -5.124 -10.586 -0.828 No H/Q in entry = 6 In of MODEL 20 1 HA VAL 3 HA VAL 3 -4.911 -3.613 -0.615 2 HB VAL 3 HB VAL 3 -6.825 -3.232 -2.070 3 H VAL 3 HN VAL 3 -6.803 -5.361 0.691 No H/Q in entry = 3 In of MODEL 20 1 HA SER 4 HA SER 4 -5.427 -3.495 3.940 2 HB2 SER 4 HB2 SER 4 -3.173 -4.068 4.965 3 HG SER 4 HG SER 4 -2.346 -3.740 2.455 4 H SER 4 HN SER 4 -4.153 -4.289 1.529 5 HB3 SER 4 HB1 SER 4 -3.882 -5.350 3.983 No H/Q in entry = 5 In of MODEL 20 1 HA ALA 5 HA ALA 5 -3.661 0.588 4.344 2 HB3 ALA 5 HB1 ALA 5 -5.142 2.243 3.262 3 HB1 ALA 5 HB2 ALA 5 -6.399 1.014 3.072 4 HB2 ALA 5 HB3 ALA 5 -4.868 0.857 2.205 5 H ALA 5 HN ALA 5 -5.805 -1.425 4.399 No H/Q in entry = 5 In of MODEL 20 1 HA ASN 6 HA ASN 6 -5.397 1.956 8.154 2 HB2 ASN 6 HB2 ASN 6 -5.126 4.380 8.624 3 HD21 ASN 6 HD21 ASN 6 -4.615 6.501 7.972 4 HD22 ASN 6 HD22 ASN 6 -4.703 7.019 6.327 5 H ASN 6 HN ASN 6 -4.267 2.545 5.625 6 HB3 ASN 6 HB1 ASN 6 -3.692 3.698 7.872 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 7 HA GLU 7 -9.297 4.224 6.386 2 HB2 GLU 7 HB2 GLU 7 -9.941 4.497 3.969 3 HG2 GLU 7 HG2 GLU 7 -7.119 3.526 3.413 4 H GLU 7 HN GLU 7 -6.747 3.479 5.299 5 HB3 GLU 7 HB1 GLU 7 -8.471 5.360 4.409 6 HG3 GLU 7 HG1 GLU 7 -8.604 2.709 2.936 No H/Q in entry = 6 In of MODEL 20 1 HA LEU 8 HA LEU 8 -10.495 -0.133 4.994 2 HB2 LEU 8 HB2 LEU 8 -7.692 -0.686 4.076 3 HG LEU 8 HG LEU 8 -8.740 -1.766 2.142 4 HD12 LEU 8 HD11 LEU 8 -11.420 -1.152 3.406 5 HD11 LEU 8 HD12 LEU 8 -10.663 -2.744 3.283 6 HD13 LEU 8 HD13 LEU 8 -11.131 -1.879 1.821 7 HD22 LEU 8 HD21 LEU 8 -9.798 0.181 1.092 8 HD21 LEU 8 HD22 LEU 8 -8.360 0.642 1.997 9 HD23 LEU 8 HD23 LEU 8 -9.961 0.965 2.668 10 H LEU 8 HN LEU 8 -7.948 1.302 5.039 11 HB3 LEU 8 HB1 LEU 8 -8.632 -2.082 4.548 No H/Q in entry = 11 In of MODEL 20 1 HA GLU 9 HA GLU 9 -8.152 0.401 9.531 2 HB2 GLU 9 HB2 GLU 9 -9.850 -0.675 10.937 3 HG2 GLU 9 HG2 GLU 9 -11.478 -1.329 8.486 4 H GLU 9 HN GLU 9 -8.840 0.942 7.449 5 HB3 GLU 9 HB1 GLU 9 -10.613 0.447 9.820 6 HG3 GLU 9 HG1 GLU 9 -10.471 -2.525 9.293 No H/Q in entry = 6 In of MODEL 20 1 HA ALA 10 HA ALA 10 -6.954 -3.667 7.424 2 HB2 ALA 10 HB1 ALA 10 -4.335 -2.150 7.454 3 HB1 ALA 10 HB2 ALA 10 -5.484 -2.238 6.117 4 HB3 ALA 10 HB3 ALA 10 -4.641 -3.693 6.649 5 H ALA 10 HN ALA 10 -6.585 -0.964 7.874 No H/Q in entry = 5 In of MODEL 20 1 HA ALA 11 HA ALA 11 -3.868 -4.418 11.150 2 HB1 ALA 11 HB1 ALA 11 -4.830 -1.939 12.623 3 HB2 ALA 11 HB2 ALA 11 -3.288 -2.104 11.787 4 HB3 ALA 11 HB3 ALA 11 -3.620 -3.087 13.214 5 H ALA 11 HN ALA 11 -5.163 -2.147 10.093 No H/Q in entry = 5 In of MODEL 20 1 HA SER 12 HA SER 12 -7.827 -4.910 13.889 2 HB2 SER 12 HB2 SER 12 -8.664 -2.579 13.943 3 HG SER 12 HG SER 12 -11.081 -3.422 13.577 4 H SER 12 HN SER 12 -6.972 -2.903 12.044 5 HB3 SER 12 HB1 SER 12 -9.461 -2.815 12.387 No H/Q in entry = 5 In of MODEL 20 1 HA SER 13 HA SER 13 -10.332 -6.311 9.973 2 HB2 SER 13 HB2 SER 13 -8.186 -5.261 8.085 3 HG SER 13 HG SER 13 -9.440 -3.591 8.192 4 H SER 13 HN SER 13 -8.209 -4.475 10.414 5 HB3 SER 13 HB1 SER 13 -9.563 -6.240 7.566 No H/Q in entry = 5 In of MODEL 20 1 HA ARG 14 HA ARG 14 -6.707 -9.320 8.904 2 HB2 ARG 14 HB2 ARG 14 -4.610 -7.711 10.424 3 HG2 ARG 14 HG2 ARG 14 -4.842 -6.798 8.199 4 HD2 ARG 14 HD2 ARG 14 -4.615 -9.660 7.221 5 HE ARG 14 HE ARG 14 -3.526 -7.566 5.886 6 HH11 ARG 14 HH11 ARG 14 -6.405 -9.462 5.171 7 HH12 ARG 14 HH12 ARG 14 -6.111 -9.463 3.457 8 HH21 ARG 14 HH21 ARG 14 -3.161 -7.577 3.655 9 HH22 ARG 14 HH22 ARG 14 -4.271 -8.398 2.603 10 H ARG 14 HN ARG 14 -6.772 -6.628 9.730 11 HB3 ARG 14 HB1 ARG 14 -4.331 -9.332 9.792 12 HG3 ARG 14 HG1 ARG 14 -3.355 -7.746 8.274 13 HD3 ARG 14 HD1 ARG 14 -5.990 -8.568 7.003 No H/Q in entry = 13 In of MODEL 20 1 HA MET 15 HA MET 15 -6.089 -10.118 13.721 2 HB2 MET 15 HB2 MET 15 -7.096 -7.326 14.257 3 HG2 MET 15 HG2 MET 15 -5.217 -7.147 15.711 4 HE3 MET 15 HE1 MET 15 -1.717 -7.894 13.903 5 HE2 MET 15 HE2 MET 15 -2.453 -8.975 15.085 6 HE1 MET 15 HE3 MET 15 -2.462 -7.228 15.360 7 H MET 15 HN MET 15 -6.295 -7.853 12.147 8 HB3 MET 15 HB1 MET 15 -7.305 -8.539 15.512 9 HG3 MET 15 HG1 MET 15 -4.969 -8.893 15.722 No H/Q in entry = 9 In of MODEL 20 1 HA GLU 16 HA GLU 16 -10.971 -10.050 14.071 2 HB2 GLU 16 HB2 GLU 16 -11.579 -7.943 12.993 3 HG2 GLU 16 HG2 GLU 16 -13.613 -8.442 11.757 4 H GLU 16 HN GLU 16 -9.084 -8.496 12.698 5 HB3 GLU 16 HB1 GLU 16 -11.188 -8.584 11.405 6 HG3 GLU 16 HG1 GLU 16 -13.087 -10.106 11.494 No H/Q in entry = 6 In of MODEL 20 1 HA MET 17 HA MET 17 -11.190 -12.740 10.059 2 HB2 MET 17 HB2 MET 17 -8.563 -11.696 8.909 3 HG2 MET 17 HG2 MET 17 -10.404 -10.080 8.636 4 HE2 MET 17 HE1 MET 17 -11.295 -13.542 6.841 5 HE1 MET 17 HE2 MET 17 -11.391 -12.307 5.583 6 HE3 MET 17 HE3 MET 17 -12.857 -13.107 6.148 7 H MET 17 HN MET 17 -9.739 -10.415 10.746 8 HB3 MET 17 HB1 MET 17 -9.560 -12.951 8.174 9 HG3 MET 17 HG1 MET 17 -9.895 -10.770 7.096 No H/Q in entry = 9 In of MODEL 20 1 HA LEU 18 HA LEU 18 -6.979 -14.951 11.264 2 HB2 LEU 18 HB2 LEU 18 -6.201 -12.641 13.076 3 HG LEU 18 HG LEU 18 -5.696 -12.249 10.638 4 HD13 LEU 18 HD11 LEU 18 -3.389 -11.529 10.951 5 HD12 LEU 18 HD12 LEU 18 -3.242 -12.543 12.386 6 HD11 LEU 18 HD13 LEU 18 -4.351 -11.174 12.386 7 HD21 LEU 18 HD21 LEU 18 -5.323 -14.569 9.947 8 HD23 LEU 18 HD22 LEU 18 -3.852 -14.640 10.923 9 HD22 LEU 18 HD23 LEU 18 -3.941 -13.552 9.535 10 H LEU 18 HN LEU 18 -7.907 -12.312 11.344 11 HB3 LEU 18 HB1 LEU 18 -5.300 -14.148 12.986 No H/Q in entry = 11 In of MODEL 20 1 HA GLN 19 HA GLN 19 -8.732 -15.068 15.841 2 HB2 GLN 19 HB2 GLN 19 -10.759 -12.937 15.080 3 HG2 GLN 19 HG2 GLN 19 -8.931 -13.090 17.490 4 HE21 GLN 19 HE21 GLN 19 -9.812 -10.275 15.643 5 HE22 GLN 19 HE22 GLN 19 -10.767 -9.514 16.861 6 H GLN 19 HN GLN 19 -8.841 -13.201 13.719 7 HB3 GLN 19 HB1 GLN 19 -10.991 -13.947 16.504 8 HG3 GLN 19 HG1 GLN 19 -8.593 -12.145 16.044 No H/Q in entry = 8 In of MODEL 20 1 HA ARG 20 HA ARG 20 -12.643 -16.973 14.056 2 HB2 ARG 20 HB2 ARG 20 -14.285 -16.213 12.381 3 HG2 ARG 20 HG2 ARG 20 -12.125 -14.275 11.553 4 HD2 ARG 20 HD2 ARG 20 -13.985 -12.804 12.147 5 HE ARG 20 HE ARG 20 -15.686 -14.598 10.516 6 HH11 ARG 20 HH11 ARG 20 -15.452 -11.962 12.843 7 HH12 ARG 20 HH12 ARG 20 -17.164 -11.907 13.114 8 HH21 ARG 20 HH21 ARG 20 -17.923 -14.478 10.871 9 HH22 ARG 20 HH22 ARG 20 -18.552 -13.331 12.007 10 H ARG 20 HN ARG 20 -11.117 -14.614 13.244 11 HB3 ARG 20 HB1 ARG 20 -13.827 -14.908 13.468 12 HG3 ARG 20 HG1 ARG 20 -13.184 -15.265 10.542 13 HD3 ARG 20 HD1 ARG 20 -13.801 -12.904 10.396 No H/Q in entry = 13 In of MODEL 20 1 HA GLU 21 HA GLU 21 -10.632 -18.646 10.150 2 HB2 GLU 21 HB2 GLU 21 -9.722 -16.591 9.150 3 HG2 GLU 21 HG2 GLU 21 -7.705 -17.361 7.983 4 H GLU 21 HN GLU 21 -9.994 -16.456 12.031 5 HB3 GLU 21 HB1 GLU 21 -8.325 -16.652 10.210 6 HG3 GLU 21 HG1 GLU 21 -7.558 -18.716 9.105 No H/Q in entry = 6 In of MODEL 20 1 HA TYR 22 HA TYR 22 -6.693 -20.288 12.122 2 HB2 TYR 22 HB2 TYR 22 -5.696 -17.613 13.157 3 HD1 TYR 22 HD1 TYR 22 -5.670 -16.795 10.793 4 HD2 TYR 22 HD2 TYR 22 -3.551 -20.330 11.928 5 HE1 TYR 22 HE1 TYR 22 -4.397 -16.716 8.682 6 HE2 TYR 22 HE2 TYR 22 -2.280 -20.246 9.826 7 HH TYR 22 HH TYR 22 -2.242 -17.536 7.781 8 H TYR 22 HN TYR 22 -7.746 -17.599 12.007 9 HB3 TYR 22 HB1 TYR 22 -4.886 -19.118 13.576 No H/Q in entry = 9 In of MODEL 20 1 HA SER 23 HA SER 23 -8.504 -19.725 16.549 2 HB2 SER 23 HB2 SER 23 -6.474 -20.348 18.006 3 HG SER 23 HG SER 23 -5.209 -18.952 16.050 4 H SER 23 HN SER 23 -7.186 -17.935 14.822 5 HB3 SER 23 HB1 SER 23 -6.582 -21.170 16.454 No H/Q in entry = 5 In of MODEL 20 1 HA THR 24 HA THR 24 -7.511 -16.337 19.424 2 HB THR 24 HB THR 24 -9.655 -16.001 20.769 3 HG1 THR 24 HG1 THR 24 -10.075 -18.539 19.983 4 HG22 THR 24 HG21 THR 24 -10.089 -16.338 17.781 5 HG21 THR 24 HG22 THR 24 -9.434 -14.902 18.574 6 HG23 THR 24 HG23 THR 24 -11.102 -15.394 18.876 7 H THR 24 HN THR 24 -8.461 -19.068 18.800 No H/Q in entry = 7 In of MODEL 20 1 HA LEU 25 HA LEU 25 -6.131 -18.709 22.863 2 HB2 LEU 25 HB2 LEU 25 -4.532 -16.655 22.432 3 HG LEU 25 HG LEU 25 -4.468 -17.952 25.184 4 HD11 LEU 25 HD11 LEU 25 -3.149 -18.820 22.591 5 HD13 LEU 25 HD12 LEU 25 -4.481 -19.644 23.412 6 HD12 LEU 25 HD13 LEU 25 -2.901 -19.551 24.178 7 HD23 LEU 25 HD21 LEU 25 -2.061 -17.410 25.116 8 HD22 LEU 25 HD22 LEU 25 -3.060 -15.960 25.078 9 HD21 LEU 25 HD23 LEU 25 -2.299 -16.544 23.594 10 H LEU 25 HN LEU 25 -6.634 -16.206 21.487 11 HB3 LEU 25 HB1 LEU 25 -5.267 -15.993 23.880 No H/Q in entry = 11 In of MODEL 20 1 HA ARG 26 HA ARG 26 -9.285 -17.806 25.849 2 HB2 ARG 26 HB2 ARG 26 -10.225 -19.864 26.735 3 HG2 ARG 26 HG2 ARG 26 -7.952 -21.429 25.478 4 HD2 ARG 26 HD2 ARG 26 -10.154 -22.603 25.546 5 HE ARG 26 HE ARG 26 -10.329 -21.577 28.167 6 HH11 ARG 26 HH11 ARG 26 -11.028 -24.551 26.426 7 HH12 ARG 26 HH12 ARG 26 -12.222 -25.069 27.570 8 HH21 ARG 26 HH21 ARG 26 -11.895 -22.258 29.624 9 HH22 ARG 26 HH22 ARG 26 -12.705 -23.773 29.389 10 H ARG 26 HN ARG 26 -7.080 -19.432 24.745 11 HB3 ARG 26 HB1 ARG 26 -9.899 -20.049 25.023 12 HG3 ARG 26 HG1 ARG 26 -8.084 -21.121 27.208 13 HD3 ARG 26 HD1 ARG 26 -8.915 -23.368 26.552 No H/Q in entry = 13 In of MODEL 20 1 HA SER 27 HA SER 27 -6.172 -18.186 29.359 2 HB2 SER 27 HB2 SER 27 -6.593 -21.221 29.263 3 HG SER 27 HG SER 27 -8.218 -19.076 30.014 4 H SER 27 HN SER 27 -6.354 -19.526 26.802 5 HB3 SER 27 HB1 SER 27 -6.107 -20.317 30.699 No H/Q in entry = 5 In of MODEL 20 1 HA VAL 28 HA VAL 28 -2.123 -20.229 28.906 2 HB VAL 28 HB VAL 28 -1.538 -17.370 29.825 3 H VAL 28 HN VAL 28 -4.082 -18.594 30.379 No H/Q in entry = 3 In of MODEL 20 1 HA GLN 29 HA GLN 29 -0.370 -20.468 33.059 2 HB2 GLN 29 HB2 GLN 29 -0.462 -22.860 33.683 3 HG2 GLN 29 HG2 GLN 29 -1.199 -23.429 30.795 4 HE21 GLN 29 HE21 GLN 29 -0.959 -24.675 34.092 5 HE22 GLN 29 HE22 GLN 29 -1.758 -26.168 33.776 6 H GLN 29 HN GLN 29 -0.548 -21.125 30.205 7 HB3 GLN 29 HB1 GLN 29 -1.956 -22.377 32.887 8 HG3 GLN 29 HG1 GLN 29 0.312 -23.894 31.563 No H/Q in entry = 8 In of MODEL 20 1 HA TYR 30 HA TYR 30 3.821 -21.681 31.961 2 HB2 TYR 30 HB2 TYR 30 4.350 -19.538 33.083 3 HD1 TYR 30 HD1 TYR 30 6.013 -21.454 35.685 4 HD2 TYR 30 HD2 TYR 30 6.240 -20.382 31.575 5 HE1 TYR 30 HE1 TYR 30 8.378 -22.126 35.635 6 HE2 TYR 30 HE2 TYR 30 8.603 -21.048 31.522 7 HH TYR 30 HH TYR 30 10.500 -21.279 33.196 8 H TYR 30 HN TYR 30 1.775 -20.623 33.791 9 HB3 TYR 30 HB1 TYR 30 4.145 -20.294 34.658 No H/Q in entry = 9 In of MODEL 20 1 HA ARG 31 HA ARG 31 3.913 -25.242 34.631 2 HB2 ARG 31 HB2 ARG 31 4.327 -26.333 31.814 3 HG2 ARG 31 HG2 ARG 31 1.825 -26.183 33.518 4 HD2 ARG 31 HD2 ARG 31 0.689 -27.373 31.669 5 HE ARG 31 HE ARG 31 2.435 -28.681 33.489 6 HH11 ARG 31 HH11 ARG 31 0.516 -29.365 30.621 7 HH12 ARG 31 HH12 ARG 31 0.266 -31.022 31.051 8 HH21 ARG 31 HH21 ARG 31 2.108 -30.840 34.037 9 HH22 ARG 31 HH22 ARG 31 1.184 -31.868 32.986 10 H ARG 31 HN ARG 31 4.197 -23.793 32.080 11 HB3 ARG 31 HB1 ARG 31 4.074 -27.303 33.269 12 HG3 ARG 31 HG1 ARG 31 2.094 -25.412 31.954 13 HD3 ARG 31 HD1 ARG 31 2.256 -27.665 30.909 No H/Q in entry = 13 In of MODEL 20 1 HA SER 32 HA SER 32 8.395 -24.648 34.811 2 HB2 SER 32 HB2 SER 32 8.921 -24.897 37.322 3 HG SER 32 HG SER 32 7.360 -25.663 38.489 4 H SER 32 HN SER 32 5.719 -24.701 35.750 5 HB3 SER 32 HB1 SER 32 7.875 -23.545 36.894 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 33 HA GLU 33 7.833 -29.463 36.051 2 HB2 GLU 33 HB2 GLU 33 5.283 -29.276 34.374 3 HG2 GLU 33 HG2 GLU 33 5.490 -29.597 37.383 4 H GLU 33 HN GLU 33 6.268 -27.197 35.695 5 HB3 GLU 33 HB1 GLU 33 5.884 -30.705 35.223 6 HG3 GLU 33 HG1 GLU 33 4.936 -28.142 36.551 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 34 HA GLU 34 8.620 -29.552 31.410 2 HB2 GLU 34 HB2 GLU 34 6.373 -27.649 30.621 3 HG2 GLU 34 HG2 GLU 34 5.442 -29.654 31.662 4 H GLU 34 HN GLU 34 6.934 -27.787 33.087 5 HB3 GLU 34 HB1 GLU 34 7.307 -28.632 29.491 6 HG3 GLU 34 HG1 GLU 34 5.106 -29.611 29.933 No H/Q in entry = 6 In of MODEL 20 1 HA3 GLY 35 HA2 GLY 35 9.872 -24.619 32.722 2 H GLY 35 HN GLY 35 8.561 -26.487 32.860 3 HA2 GLY 35 HA1 GLY 35 10.951 -25.522 31.671 No H/Q in entry = 3 In of MODEL 20 1 HA VAL 36 HA VAL 36 8.203 -23.040 28.801 2 HB VAL 36 HB VAL 36 6.622 -24.207 27.310 3 H VAL 36 HN VAL 36 7.543 -24.828 31.060 No H/Q in entry = 3 In of MODEL 20 1 HA ILE 37 HA ILE 37 4.197 -21.336 29.882 2 HB ILE 37 HB ILE 37 5.100 -19.696 27.464 3 HD12 ILE 37 HD11 ILE 37 7.029 -17.365 29.743 4 HD11 ILE 37 HD12 ILE 37 5.360 -17.096 29.245 5 HD13 ILE 37 HD13 ILE 37 6.567 -17.609 28.062 6 H ILE 37 HN ILE 37 6.475 -21.769 28.088 No H/Q in entry = 6 In of MODEL 20 1 HA VAL 38 HA VAL 38 1.971 -23.581 26.708 2 HB VAL 38 HB VAL 38 0.618 -24.219 29.369 3 H VAL 38 HN VAL 38 2.563 -22.656 29.406 No H/Q in entry = 3 In of MODEL 20 1 HA PHE 39 HA PHE 39 -1.047 -20.264 26.431 2 HB2 PHE 39 HB2 PHE 39 -0.014 -20.827 23.608 3 HD1 PHE 39 HD1 PHE 39 -0.108 -17.564 25.294 4 HD2 PHE 39 HD2 PHE 39 2.379 -20.858 24.183 5 HE1 PHE 39 HE1 PHE 39 1.894 -16.209 25.747 6 HE2 PHE 39 HE2 PHE 39 4.375 -19.503 24.635 7 HZ PHE 39 HZ PHE 39 4.134 -17.170 25.416 8 H PHE 39 HN PHE 39 1.026 -22.057 25.528 9 HB3 PHE 39 HB1 PHE 39 -1.035 -19.474 24.082 No H/Q in entry = 9 In of MODEL 20 1 HA ILE 40 HA ILE 40 -3.838 -23.688 25.472 2 HB ILE 40 HB ILE 40 -5.137 -22.155 27.772 3 HD12 ILE 40 HD11 ILE 40 -5.107 -24.753 29.653 4 HD11 ILE 40 HD12 ILE 40 -4.620 -23.137 30.175 5 HD13 ILE 40 HD13 ILE 40 -3.487 -24.481 30.294 6 H ILE 40 HN ILE 40 -2.841 -21.442 27.002 No H/Q in entry = 6 In of MODEL 20 1 HA LEU 41 HA LEU 41 -6.188 -20.933 22.870 2 HB2 LEU 41 HB2 LEU 41 -5.424 -23.489 21.466 3 HG LEU 41 HG LEU 41 -3.829 -21.492 21.487 4 HD12 LEU 41 HD11 LEU 41 -3.253 -21.609 19.098 5 HD11 LEU 41 HD12 LEU 41 -4.803 -22.385 18.755 6 HD13 LEU 41 HD13 LEU 41 -3.602 -23.208 19.753 7 HD23 LEU 41 HD21 LEU 41 -4.378 -19.599 20.010 8 HD22 LEU 41 HD22 LEU 41 -5.500 -19.720 21.358 9 HD21 LEU 41 HD23 LEU 41 -5.990 -20.268 19.753 10 H LEU 41 HN LEU 41 -4.930 -23.432 23.657 11 HB3 LEU 41 HB1 LEU 41 -6.615 -22.447 20.713 No H/Q in entry = 11 In of MODEL 20 1 HA ALA 42 HA ALA 42 -10.335 -22.059 23.694 2 HB1 ALA 42 HB1 ALA 42 -10.618 -20.163 21.338 3 HB2 ALA 42 HB2 ALA 42 -10.503 -19.697 23.036 4 HB3 ALA 42 HB3 ALA 42 -11.901 -20.610 22.470 5 H ALA 42 HN ALA 42 -8.318 -20.711 22.216 No H/Q in entry = 5 In of MODEL 20 1 HA ASN 43 HA ASN 43 -10.936 -24.561 19.710 2 HB2 ASN 43 HB2 ASN 43 -9.412 -24.813 17.717 3 HD21 ASN 43 HD21 ASN 43 -7.234 -25.322 17.906 4 HD22 ASN 43 HD22 ASN 43 -5.998 -24.147 18.157 5 H ASN 43 HN ASN 43 -8.914 -22.647 20.606 6 HB3 ASN 43 HB1 ASN 43 -9.919 -23.149 17.999 No H/Q in entry = 6 In of MODEL 20 1 HA ASP 44 HA ASP 44 -8.276 -26.505 23.432 2 HB2 ASP 44 HB2 ASP 44 -10.435 -27.591 22.559 3 H ASP 44 HN ASP 44 -9.114 -24.852 22.172 4 HB3 ASP 44 HB1 ASP 44 -9.433 -28.473 21.412 No H/Q in entry = 4 In of MODEL 20 1 HA ARG 45 HA ARG 45 -4.520 -27.557 21.367 2 HB2 ARG 45 HB2 ARG 45 -5.141 -26.464 19.273 3 HG2 ARG 45 HG2 ARG 45 -2.399 -25.462 20.126 4 HD2 ARG 45 HD2 ARG 45 -3.527 -25.998 17.366 5 HE ARG 45 HE ARG 45 -0.879 -26.090 18.100 6 HH11 ARG 45 HH11 ARG 45 -2.770 -24.089 15.909 7 HH12 ARG 45 HH12 ARG 45 -1.445 -23.822 14.823 8 HH21 ARG 45 HH21 ARG 45 0.834 -25.725 16.683 9 HH22 ARG 45 HH22 ARG 45 0.607 -24.743 15.275 10 H ARG 45 HN ARG 45 -6.403 -25.374 22.068 11 HB3 ARG 45 HB1 ARG 45 -4.799 -24.877 19.954 12 HG3 ARG 45 HG1 ARG 45 -2.744 -27.057 19.451 13 HD3 ARG 45 HD1 ARG 45 -3.176 -24.404 18.046 No H/Q in entry = 13 In of MODEL 20 1 HA GLU 46 HA GLU 46 -2.148 -25.245 24.347 2 HB2 GLU 46 HB2 GLU 46 -1.178 -28.133 24.361 3 HG2 GLU 46 HG2 GLU 46 -2.914 -26.696 26.391 4 H GLU 46 HN GLU 46 -2.844 -27.568 22.712 5 HB3 GLU 46 HB1 GLU 46 -0.652 -26.903 25.510 6 HG3 GLU 46 HG1 GLU 46 -3.532 -27.818 25.180 No H/Q in entry = 6 In of MODEL 20 1 HA LEU 47 HA LEU 47 1.253 -24.655 21.462 2 HB2 LEU 47 HB2 LEU 47 0.091 -21.972 22.202 3 HG LEU 47 HG LEU 47 -0.886 -22.997 20.190 4 HD11 LEU 47 HD11 LEU 47 -0.621 -20.558 20.214 5 HD13 LEU 47 HD12 LEU 47 -0.469 -21.195 18.579 6 HD12 LEU 47 HD13 LEU 47 0.976 -20.710 19.475 7 HD22 LEU 47 HD21 LEU 47 0.490 -23.503 18.203 8 HD21 LEU 47 HD22 LEU 47 0.963 -24.505 19.575 9 HD23 LEU 47 HD23 LEU 47 1.959 -23.121 19.108 10 H LEU 47 HN LEU 47 -0.973 -23.807 23.095 11 HB3 LEU 47 HB1 LEU 47 1.697 -22.056 21.496 No H/Q in entry = 11 In of MODEL 20 1 HA LYS 48 HA LYS 48 3.809 -24.537 25.065 2 HB2 LYS 48 HB2 LYS 48 3.416 -26.921 24.576 3 HG2 LYS 48 HG2 LYS 48 6.408 -26.511 24.881 4 HD2 LYS 48 HD2 LYS 48 4.583 -28.784 25.751 5 HE2 LYS 48 HE2 LYS 48 7.560 -28.439 26.239 6 HZ2 LYS 48 HZ1 LYS 48 7.100 -30.717 25.911 7 HZ1 LYS 48 HZ2 LYS 48 5.702 -30.652 26.854 8 HZ3 LYS 48 HZ3 LYS 48 7.214 -30.485 27.586 9 H LYS 48 HN LYS 48 3.087 -25.229 22.288 10 HB3 LYS 48 HB1 LYS 48 4.596 -26.874 23.268 11 HG3 LYS 48 HG1 LYS 48 5.239 -26.407 26.198 12 HD3 LYS 48 HD1 LYS 48 5.842 -28.869 24.514 13 HE3 LYS 48 HE1 LYS 48 6.302 -28.329 27.474 No H/Q in entry = 13 In of MODEL 20 1 HA PHE 49 HA PHE 49 7.594 -22.844 23.394 2 HB2 PHE 49 HB2 PHE 49 5.706 -20.484 23.854 3 HD1 PHE 49 HD1 PHE 49 7.807 -20.885 20.890 4 HD2 PHE 49 HD2 PHE 49 3.907 -21.571 22.498 5 HE1 PHE 49 HE1 PHE 49 6.928 -21.258 18.623 6 HE2 PHE 49 HE2 PHE 49 3.048 -21.951 20.226 7 HZ PHE 49 HZ PHE 49 4.553 -21.798 18.290 8 H PHE 49 HN PHE 49 5.173 -22.846 25.100 9 HB3 PHE 49 HB1 PHE 49 7.326 -20.312 23.195 No H/Q in entry = 9 In of MODEL 20 1 HA ARG 50 HA ARG 50 9.352 -22.159 27.410 2 HB2 ARG 50 HB2 ARG 50 11.658 -21.966 25.434 3 HG2 ARG 50 HG2 ARG 50 10.865 -24.186 27.333 4 HD2 ARG 50 HD2 ARG 50 13.137 -24.088 25.333 5 HE ARG 50 HE ARG 50 11.888 -26.329 26.630 6 HH11 ARG 50 HH11 ARG 50 14.980 -25.161 25.435 7 HH12 ARG 50 HH12 ARG 50 15.641 -26.752 25.268 8 HH21 ARG 50 HH21 ARG 50 12.759 -28.399 26.407 9 HH22 ARG 50 HH22 ARG 50 14.379 -28.594 25.819 10 H ARG 50 HN ARG 50 9.424 -22.407 24.562 11 HB3 ARG 50 HB1 ARG 50 11.877 -21.935 27.183 12 HG3 ARG 50 HG1 ARG 50 10.687 -24.220 25.577 13 HD3 ARG 50 HD1 ARG 50 13.319 -24.041 27.091 No H/Q in entry = 13 In of MODEL 20 1 HA PRO 51 HA PRO 51 9.111 -17.757 28.025 2 HB2 PRO 51 HB2 PRO 51 10.779 -17.402 30.226 3 HG2 PRO 51 HG2 PRO 51 11.739 -19.542 30.214 4 HD2 PRO 51 HD2 PRO 51 10.706 -21.367 29.147 5 HB3 PRO 51 HB1 PRO 51 9.126 -18.033 30.318 6 HG3 PRO 51 HG1 PRO 51 10.342 -19.805 31.282 7 HD3 PRO 51 HD1 PRO 51 9.067 -20.822 29.579 No H/Q in entry = 7 In of MODEL 20 1 HA ASP 52 HA ASP 52 13.705 -16.494 27.458 2 HB2 ASP 52 HB2 ASP 52 14.804 -19.335 27.388 3 H ASP 52 HN ASP 52 12.468 -19.001 28.134 4 HB3 ASP 52 HB1 ASP 52 15.778 -17.861 27.309 No H/Q in entry = 4 In of MODEL 20 1 HA ASP 53 HA ASP 53 13.415 -18.443 23.133 2 HB2 ASP 53 HB2 ASP 53 12.657 -20.724 23.934 3 H ASP 53 HN ASP 53 12.157 -18.958 25.701 4 HB3 ASP 53 HB1 ASP 53 10.998 -20.163 23.827 No H/Q in entry = 4 In of MODEL 20 1 HA LEU 54 HA LEU 54 9.582 -15.749 22.739 2 HB2 LEU 54 HB2 LEU 54 8.804 -15.976 25.674 3 HG LEU 54 HG LEU 54 8.604 -18.171 24.436 4 HD11 LEU 54 HD11 LEU 54 7.200 -17.698 26.359 5 HD13 LEU 54 HD12 LEU 54 6.317 -18.641 25.163 6 HD12 LEU 54 HD13 LEU 54 6.000 -16.910 25.329 7 HD23 LEU 54 HD21 LEU 54 6.787 -18.375 22.744 8 HD22 LEU 54 HD22 LEU 54 8.141 -17.398 22.204 9 HD21 LEU 54 HD23 LEU 54 6.646 -16.617 22.719 10 H LEU 54 HN LEU 54 11.079 -16.955 25.008 11 HB3 LEU 54 HB1 LEU 54 7.824 -15.230 24.416 No H/Q in entry = 11 In of MODEL 20 1 HA GLN 55 HA GLN 55 11.347 -11.873 23.747 2 HB2 GLN 55 HB2 GLN 55 10.241 -11.293 21.652 3 HG2 GLN 55 HG2 GLN 55 9.605 -9.130 23.685 4 HE21 GLN 55 HE21 GLN 55 11.387 -8.752 20.730 5 HE22 GLN 55 HE22 GLN 55 10.221 -7.772 19.916 6 H GLN 55 HN GLN 55 9.162 -13.473 22.827 7 HB3 GLN 55 HB1 GLN 55 8.698 -11.076 22.475 8 HG3 GLN 55 HG1 GLN 55 11.165 -9.352 22.897 No H/Q in entry = 8 In of MODEL 20 1 HA ALA 56 HA ALA 56 7.787 -9.877 26.490 2 HB3 ALA 56 HB1 ALA 56 5.767 -10.954 27.442 3 HB1 ALA 56 HB2 ALA 56 6.190 -12.481 26.658 4 HB2 ALA 56 HB3 ALA 56 5.764 -11.078 25.680 5 H ALA 56 HN ALA 56 7.884 -11.981 24.668 No H/Q in entry = 5 In of MODEL 20 1 HA THR 57 HA THR 57 9.215 -12.824 29.845 2 HB THR 57 HB THR 57 8.889 -15.335 29.832 3 HG1 THR 57 HG1 THR 57 9.460 -15.291 27.394 4 HG22 THR 57 HG21 THR 57 6.485 -15.233 29.343 5 HG21 THR 57 HG22 THR 57 6.717 -13.703 28.505 6 HG23 THR 57 HG23 THR 57 7.013 -13.817 30.237 7 H THR 57 HN THR 57 9.053 -13.095 26.900 No H/Q in entry = 7 In of MODEL 20 1 HA TYR 58 HA TYR 58 13.254 -14.340 27.865 2 HB2 TYR 58 HB2 TYR 58 13.068 -12.749 25.920 3 HD1 TYR 58 HD1 TYR 58 14.797 -14.971 26.522 4 HD2 TYR 58 HD2 TYR 58 15.814 -10.826 26.320 5 HE1 TYR 58 HE1 TYR 58 17.110 -15.582 26.002 6 HE2 TYR 58 HE2 TYR 58 18.139 -11.430 25.791 7 HH TYR 58 HH TYR 58 19.665 -13.341 26.147 8 H TYR 58 HN TYR 58 11.271 -12.283 27.650 9 HB3 TYR 58 HB1 TYR 58 13.604 -11.440 26.976 No H/Q in entry = 9 In of MODEL 20 1 HA3 GLY 59 HA2 GLY 59 14.953 -14.537 31.905 2 H GLY 59 HN GLY 59 13.522 -14.717 30.053 3 HA2 GLY 59 HA1 GLY 59 15.209 -12.835 31.559 No H/Q in entry = 3 In of MODEL 20 1 HA ALA 60 HA ALA 60 11.310 -12.208 33.868 2 HB1 ALA 60 HB1 ALA 60 9.409 -13.649 31.981 3 HB2 ALA 60 HB2 ALA 60 9.884 -11.953 31.871 4 HB3 ALA 60 HB3 ALA 60 8.946 -12.516 33.257 5 H ALA 60 HN ALA 60 11.899 -13.742 31.461 No H/Q in entry = 5 In of MODEL 20 1 HA THR 61 HA THR 61 11.187 -15.636 36.536 2 HB THR 61 HB THR 61 10.115 -14.976 38.787 3 HG1 THR 61 HG1 THR 61 9.872 -12.510 38.764 4 HG21 THR 61 HG21 THR 61 12.241 -13.104 37.670 5 HG23 THR 61 HG22 THR 61 12.532 -14.675 38.422 6 HG22 THR 61 HG23 THR 61 11.877 -13.347 39.381 7 H THR 61 HN THR 61 10.349 -12.997 35.768 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 62 HA PRO 62 7.578 -18.050 35.608 2 HB2 PRO 62 HB2 PRO 62 7.503 -19.792 37.790 3 HG2 PRO 62 HG2 PRO 62 9.104 -18.690 39.108 4 HD2 PRO 62 HD2 PRO 62 10.665 -17.202 38.188 5 HB3 PRO 62 HB1 PRO 62 8.603 -19.950 36.416 6 HG3 PRO 62 HG1 PRO 62 10.133 -19.815 38.192 7 HD3 PRO 62 HD1 PRO 62 10.832 -18.143 36.688 No H/Q in entry = 7 In of MODEL 20 1 HA GLU 63 HA GLU 63 5.032 -16.846 39.589 2 HB2 GLU 63 HB2 GLU 63 5.550 -15.016 41.178 3 HG2 GLU 63 HG2 GLU 63 7.999 -14.602 39.445 4 H GLU 63 HN GLU 63 7.703 -16.465 38.708 5 HB3 GLU 63 HB1 GLU 63 6.852 -16.201 41.098 6 HG3 GLU 63 HG1 GLU 63 6.798 -13.407 39.930 No H/Q in entry = 6 In of MODEL 20 1 HA GLN 64 HA GLN 64 4.344 -12.658 37.268 2 HB2 GLN 64 HB2 GLN 64 6.866 -13.015 35.616 3 HG2 GLN 64 HG2 GLN 64 6.196 -10.879 37.660 4 HE21 GLN 64 HE21 GLN 64 8.570 -12.197 35.384 5 HE22 GLN 64 HE22 GLN 64 9.549 -10.776 35.312 6 H GLN 64 HN GLN 64 6.569 -14.448 37.527 7 HB3 GLN 64 HB1 GLN 64 5.721 -11.689 35.399 8 HG3 GLN 64 HG1 GLN 64 7.284 -12.235 37.943 No H/Q in entry = 8 In of MODEL 20 1 HA LEU 65 HA LEU 65 3.614 -15.342 33.380 2 HB2 LEU 65 HB2 LEU 65 5.377 -17.690 34.263 3 HG LEU 65 HG LEU 65 6.914 -15.821 34.255 4 HD11 LEU 65 HD11 LEU 65 7.756 -17.859 33.230 5 HD13 LEU 65 HD12 LEU 65 8.457 -16.435 32.466 6 HD12 LEU 65 HD13 LEU 65 7.176 -17.333 31.645 7 HD21 LEU 65 HD21 LEU 65 5.694 -15.031 31.593 8 HD23 LEU 65 HD22 LEU 65 7.165 -14.329 32.282 9 HD22 LEU 65 HD23 LEU 65 5.630 -14.142 33.118 10 H LEU 65 HN LEU 65 5.193 -15.653 35.889 11 HB3 LEU 65 HB1 LEU 65 4.813 -17.308 32.639 No H/Q in entry = 11 In of MODEL 20 1 HA ARG 66 HA ARG 66 0.776 -18.000 35.761 2 HB2 ARG 66 HB2 ARG 66 1.332 -16.570 38.404 3 HG2 ARG 66 HG2 ARG 66 2.225 -19.357 37.602 4 HD2 ARG 66 HD2 ARG 66 1.666 -19.213 39.984 5 HE ARG 66 HE ARG 66 2.505 -16.603 39.916 6 HH11 ARG 66 HH11 ARG 66 3.350 -19.342 41.950 7 HH12 ARG 66 HH12 ARG 66 3.704 -18.345 43.319 8 HH21 ARG 66 HH21 ARG 66 2.972 -15.345 41.686 9 HH22 ARG 66 HH22 ARG 66 3.500 -16.076 43.168 10 H ARG 66 HN ARG 66 2.661 -15.776 36.315 11 HB3 ARG 66 HB1 ARG 66 0.279 -17.971 38.171 12 HG3 ARG 66 HG1 ARG 66 3.288 -17.952 37.742 13 HD3 ARG 66 HD1 ARG 66 3.418 -19.318 39.766 No H/Q in entry = 13 In of MODEL 20 1 HA GLU 67 HA GLU 67 -1.744 -14.052 36.659 2 HB2 GLU 67 HB2 GLU 67 -0.988 -11.725 37.421 3 HG2 GLU 67 HG2 GLU 67 1.574 -13.185 38.155 4 H GLU 67 HN GLU 67 0.982 -14.751 37.219 5 HB3 GLU 67 HB1 GLU 67 -0.857 -13.024 38.600 6 HG3 GLU 67 HG1 GLU 67 1.442 -11.878 36.982 No H/Q in entry = 6 In of MODEL 20 1 HA ILE 68 HA ILE 68 -0.764 -12.570 32.571 2 HB ILE 68 HB ILE 68 -1.487 -15.533 32.575 3 HD11 ILE 68 HD11 ILE 68 0.790 -16.497 30.817 4 HD13 ILE 68 HD12 ILE 68 0.549 -17.090 32.468 5 HD12 ILE 68 HD13 ILE 68 2.103 -16.413 31.988 6 H ILE 68 HN ILE 68 -2.205 -14.132 34.625 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 69 HA GLU 69 -5.035 -12.352 31.099 2 HB2 GLU 69 HB2 GLU 69 -4.606 -10.046 31.953 3 HG2 GLU 69 HG2 GLU 69 -5.798 -9.913 29.167 4 H GLU 69 HN GLU 69 -2.153 -11.609 31.092 5 HB3 GLU 69 HB1 GLU 69 -3.731 -9.652 30.476 6 HG3 GLU 69 HG1 GLU 69 -6.674 -10.375 30.626 No H/Q in entry = 6 In of MODEL 20 1 HA ILE 70 HA ILE 70 -4.397 -13.194 26.756 2 HB ILE 70 HB ILE 70 -7.380 -12.528 26.828 3 HD13 ILE 70 HD11 ILE 70 -5.904 -16.463 27.655 4 HD12 ILE 70 HD12 ILE 70 -4.741 -15.152 27.491 5 HD11 ILE 70 HD13 ILE 70 -5.554 -15.796 26.061 6 H ILE 70 HN ILE 70 -6.067 -12.326 28.949 No H/Q in entry = 6 In of MODEL 20 1 HA SER 71 HA SER 71 -3.373 -9.476 24.742 2 HB2 SER 71 HB2 SER 71 -3.430 -9.489 22.242 3 HG SER 71 HG SER 71 -4.848 -11.939 22.538 4 H SER 71 HN SER 71 -4.374 -12.081 24.589 5 HB3 SER 71 HB1 SER 71 -2.796 -10.998 22.898 No H/Q in entry = 5 In of MODEL 20 1 HA PRO 72 HA PRO 72 -6.940 -6.710 24.416 2 HB2 PRO 72 HB2 PRO 72 -5.955 -4.682 22.847 3 HG2 PRO 72 HG2 PRO 72 -4.081 -5.875 21.993 4 HD2 PRO 72 HD2 PRO 72 -3.087 -7.628 23.210 5 HB3 PRO 72 HB1 PRO 72 -5.441 -4.927 24.528 6 HG3 PRO 72 HG1 PRO 72 -3.382 -4.975 23.360 7 HD3 PRO 72 HD1 PRO 72 -3.411 -6.859 24.780 No H/Q in entry = 7 In of MODEL 20 1 HA SER 73 HA SER 73 -7.742 -7.567 19.861 2 HB2 SER 73 HB2 SER 73 -5.105 -8.980 19.273 3 HG SER 73 HG SER 73 -5.904 -6.289 19.201 4 H SER 73 HN SER 73 -5.492 -8.183 21.650 5 HB3 SER 73 HB1 SER 73 -6.311 -8.475 18.080 No H/Q in entry = 5 In of MODEL 20 1 HA3 GLY 74 HA2 GLY 74 -8.034 -11.875 22.685 2 H GLY 74 HN GLY 74 -6.896 -9.960 22.091 3 HA2 GLY 74 HA1 GLY 74 -9.052 -11.709 21.271 No H/Q in entry = 3 In of MODEL 20 1 HA LEU 75 HA LEU 75 -6.124 -14.270 18.879 2 HB2 LEU 75 HB2 LEU 75 -4.382 -11.825 18.475 3 HG LEU 75 HG LEU 75 -6.445 -12.018 17.041 4 HD11 LEU 75 HD11 LEU 75 -3.806 -12.211 15.552 5 HD13 LEU 75 HD12 LEU 75 -4.511 -10.746 16.241 6 HD12 LEU 75 HD13 LEU 75 -5.317 -11.561 14.903 7 HD23 LEU 75 HD21 LEU 75 -5.059 -14.493 15.947 8 HD22 LEU 75 HD22 LEU 75 -6.518 -13.745 15.292 9 HD21 LEU 75 HD23 LEU 75 -6.550 -14.472 16.895 10 H LEU 75 HN LEU 75 -6.347 -11.588 19.691 11 HB3 LEU 75 HB1 LEU 75 -3.855 -13.389 17.874 No H/Q in entry = 11 In of MODEL 20 1 HA3 GLY 76 HA2 GLY 76 -2.252 -14.910 21.297 2 H GLY 76 HN GLY 76 -3.460 -12.399 20.377 3 HA2 GLY 76 HA1 GLY 76 -1.469 -13.339 21.182 No H/Q in entry = 3 In of MODEL 20 1 HA VAL 77 HA VAL 77 -2.640 -13.089 25.417 2 HB VAL 77 HB VAL 77 -0.819 -15.017 25.352 3 H VAL 77 HN VAL 77 -0.702 -13.180 23.181 No H/Q in entry = 3 In of MODEL 20 1 HA TYR 78 HA TYR 78 0.141 -9.653 26.502 2 HB2 TYR 78 HB2 TYR 78 -1.894 -8.403 25.871 3 HD1 TYR 78 HD1 TYR 78 -2.532 -7.215 29.153 4 HD2 TYR 78 HD2 TYR 78 0.461 -7.124 26.103 5 HE1 TYR 78 HE1 TYR 78 -1.528 -5.233 30.199 6 HE2 TYR 78 HE2 TYR 78 1.462 -5.135 27.148 7 HH TYR 78 HH TYR 78 0.581 -4.064 30.295 8 H TYR 78 HN TYR 78 -2.060 -11.511 27.089 9 HB3 TYR 78 HB1 TYR 78 -2.657 -8.810 27.408 No H/Q in entry = 9 In of MODEL 20 1 HA PHE 79 HA PHE 79 0.710 -10.887 30.737 2 HB2 PHE 79 HB2 PHE 79 3.511 -10.416 29.627 3 HD1 PHE 79 HD1 PHE 79 0.768 -12.768 29.943 4 HD2 PHE 79 HD2 PHE 79 4.793 -12.432 29.190 5 HE1 PHE 79 HE1 PHE 79 0.781 -15.010 28.966 6 HE2 PHE 79 HE2 PHE 79 4.802 -14.682 28.222 7 HZ PHE 79 HZ PHE 79 2.798 -15.980 28.108 8 H PHE 79 HN PHE 79 1.543 -10.190 28.044 9 HB3 PHE 79 HB1 PHE 79 3.131 -11.073 31.220 No H/Q in entry = 9 In of MODEL 20 1 HA GLU 80 HA GLU 80 0.240 -6.513 31.491 2 HB2 GLU 80 HB2 GLU 80 -1.839 -7.466 32.464 3 HG2 GLU 80 HG2 GLU 80 -0.369 -5.687 34.433 4 H GLU 80 HN GLU 80 -0.178 -9.286 31.739 5 HB3 GLU 80 HB1 GLU 80 -0.933 -8.075 33.846 6 HG3 GLU 80 HG1 GLU 80 -1.441 -5.164 33.137 No H/Q in entry = 6 In of MODEL 20 1 HA THR 81 HA THR 81 2.834 -7.280 35.562 2 HB THR 81 HB THR 81 3.744 -10.089 34.814 3 HG1 THR 81 HG1 THR 81 1.936 -10.911 35.684 4 HG22 THR 81 HG21 THR 81 4.020 -10.318 37.265 5 HG21 THR 81 HG22 THR 81 3.465 -8.656 37.486 6 HG23 THR 81 HG23 THR 81 4.981 -8.973 36.638 7 H THR 81 HN THR 81 1.537 -8.909 33.689 No H/Q in entry = 7 In of MODEL 20 1 HA LEU 82 HA LEU 82 6.572 -7.421 32.711 2 HB2 LEU 82 HB2 LEU 82 5.403 -8.902 30.328 3 HG LEU 82 HG LEU 82 5.003 -10.425 32.180 4 HD11 LEU 82 HD11 LEU 82 5.889 -11.365 30.101 5 HD13 LEU 82 HD12 LEU 82 6.324 -12.312 31.515 6 HD12 LEU 82 HD13 LEU 82 7.527 -11.268 30.752 7 HD21 LEU 82 HD21 LEU 82 6.464 -9.460 33.874 8 HD23 LEU 82 HD22 LEU 82 7.892 -10.031 33.006 9 HD22 LEU 82 HD23 LEU 82 6.747 -11.188 33.695 10 H LEU 82 HN LEU 82 3.767 -8.305 32.367 11 HB3 LEU 82 HB1 LEU 82 7.099 -8.727 30.770 No H/Q in entry = 11 In of MODEL 20 1 HA GLU 83 HA GLU 83 2.734 -4.845 30.174 2 HB2 GLU 83 HB2 GLU 83 5.484 -3.556 30.409 3 HG2 GLU 83 HG2 GLU 83 3.026 -3.203 32.151 4 H GLU 83 HN GLU 83 3.572 -6.448 31.508 5 HB3 GLU 83 HB1 GLU 83 4.000 -2.747 29.898 6 HG3 GLU 83 HG1 GLU 83 4.556 -3.918 32.648 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 84 HA GLU 84 4.480 -6.227 26.245 2 HB2 GLU 84 HB2 GLU 84 6.124 -8.362 27.686 3 HG2 GLU 84 HG2 GLU 84 7.023 -5.713 26.526 4 H GLU 84 HN GLU 84 4.010 -7.174 29.005 5 HB3 GLU 84 HB1 GLU 84 6.232 -7.996 25.965 6 HG3 GLU 84 HG1 GLU 84 6.951 -6.124 28.236 No H/Q in entry = 6 In of MODEL 20 1 HA ASP 85 HA ASP 85 1.936 -9.806 25.551 2 HB2 ASP 85 HB2 ASP 85 0.614 -9.410 23.593 3 H ASP 85 HN ASP 85 3.820 -7.708 24.628 4 HB3 ASP 85 HB1 ASP 85 1.024 -7.814 24.199 No H/Q in entry = 4 In of MODEL 20 1 HA VAL 86 HA VAL 86 4.074 -12.297 22.412 2 HB VAL 86 HB VAL 86 2.563 -14.447 24.021 3 H VAL 86 HN VAL 86 1.735 -11.695 24.130 No H/Q in entry = 3 In of MODEL 20 1 HA SER 87 HA SER 87 0.491 -12.125 19.748 2 HB2 SER 87 HB2 SER 87 2.949 -12.138 17.950 3 HG SER 87 HG SER 87 1.962 -10.245 19.546 4 H SER 87 HN SER 87 3.206 -11.948 20.463 5 HB3 SER 87 HB1 SER 87 1.299 -11.786 17.426 No H/Q in entry = 5 In of MODEL 20 1 HA LEU 88 HA LEU 88 0.006 -16.502 19.376 2 HB2 LEU 88 HB2 LEU 88 -2.320 -15.539 19.642 3 HG LEU 88 HG LEU 88 -2.119 -17.916 17.771 4 HD12 LEU 88 HD11 LEU 88 -2.565 -17.760 20.768 5 HD11 LEU 88 HD12 LEU 88 -1.081 -18.277 19.957 6 HD13 LEU 88 HD13 LEU 88 -2.549 -19.235 19.796 7 HD23 LEU 88 HD21 LEU 88 -4.568 -16.893 19.248 8 HD22 LEU 88 HD22 LEU 88 -4.462 -18.400 18.337 9 HD21 LEU 88 HD23 LEU 88 -4.319 -16.858 17.500 10 H LEU 88 HN LEU 88 -0.751 -13.803 19.204 11 HB3 LEU 88 HB1 LEU 88 -2.409 -15.388 17.903 No H/Q in entry = 11 In of MODEL 20 1 HA ILE 89 HA ILE 89 -0.436 -16.419 14.552 2 HB ILE 89 HB ILE 89 0.016 -13.406 14.319 3 HD13 ILE 89 HD11 ILE 89 -3.963 -15.008 14.216 4 HD12 ILE 89 HD12 ILE 89 -2.653 -16.131 14.577 5 HD11 ILE 89 HD13 ILE 89 -2.862 -15.510 12.936 6 H ILE 89 HN ILE 89 -0.698 -14.479 16.573 No H/Q in entry = 6 In of MODEL 20 1 HA3 GLY 90 HA2 GLY 90 4.192 -14.704 14.583 2 H GLY 90 HN GLY 90 1.856 -14.118 15.975 3 HA2 GLY 90 HA1 GLY 90 4.117 -14.199 16.264 No H/Q in entry = 3 In of MODEL 20 1 HA LEU 91 HA LEU 91 4.880 -18.231 17.878 2 HB2 LEU 91 HB2 LEU 91 1.900 -18.427 18.458 3 HG LEU 91 HG LEU 91 2.995 -16.624 19.763 4 HD11 LEU 91 HD11 LEU 91 2.247 -19.050 21.428 5 HD13 LEU 91 HD12 LEU 91 1.147 -17.820 20.795 6 HD12 LEU 91 HD13 LEU 91 2.340 -17.386 22.017 7 HD23 LEU 91 HD21 LEU 91 4.754 -17.188 21.418 8 HD22 LEU 91 HD22 LEU 91 5.292 -17.416 19.758 9 HD21 LEU 91 HD23 LEU 91 4.856 -18.815 20.745 10 H LEU 91 HN LEU 91 2.774 -16.397 17.395 11 HB3 LEU 91 HB1 LEU 91 3.078 -19.586 19.057 No H/Q in entry = 11 In of MODEL 20 1 HA LEU 92 HA LEU 92 2.266 -21.067 14.918 2 HB2 LEU 92 HB2 LEU 92 0.810 -18.711 13.652 3 HG LEU 92 HG LEU 92 -0.038 -19.119 15.970 4 HD11 LEU 92 HD11 LEU 92 -1.542 -18.221 14.287 5 HD13 LEU 92 HD12 LEU 92 -2.414 -19.284 15.389 6 HD12 LEU 92 HD13 LEU 92 -1.991 -19.852 13.770 7 HD23 LEU 92 HD21 LEU 92 -0.716 -21.904 14.961 8 HD22 LEU 92 HD22 LEU 92 -1.228 -21.209 16.502 9 HD21 LEU 92 HD23 LEU 92 0.480 -21.497 16.195 10 H LEU 92 HN LEU 92 1.989 -18.398 15.867 11 HB3 LEU 92 HB1 LEU 92 0.542 -20.407 13.269 No H/Q in entry = 11 In of MODEL 20 1 HA GLU 93 HA GLU 93 4.588 -19.006 11.315 2 HB2 GLU 93 HB2 GLU 93 4.653 -16.201 12.516 3 HG2 GLU 93 HG2 GLU 93 2.385 -16.708 11.794 4 H GLU 93 HN GLU 93 3.464 -17.945 13.801 5 HB3 GLU 93 HB1 GLU 93 5.295 -16.635 10.933 6 HG3 GLU 93 HG1 GLU 93 3.135 -15.533 10.716 No H/Q in entry = 6 In of MODEL 20 1 HA3 GLY 94 HA2 GLY 94 7.605 -19.844 15.355 2 H GLY 94 HN GLY 94 5.579 -19.157 14.458 3 HA2 GLY 94 HA1 GLY 94 8.353 -19.641 13.782 No H/Q in entry = 3 In of MODEL 20 1 HA ARG 95 HA ARG 95 9.315 -15.395 15.076 2 HB2 ARG 95 HB2 ARG 95 7.856 -14.697 13.102 3 HG2 ARG 95 HG2 ARG 95 8.189 -12.579 15.244 4 HD2 ARG 95 HD2 ARG 95 6.747 -11.753 13.452 5 HE ARG 95 HE ARG 95 7.775 -13.313 11.676 6 HH11 ARG 95 HH11 ARG 95 8.552 -9.892 11.860 7 HH12 ARG 95 HH12 ARG 95 8.760 -9.736 10.147 8 HH21 ARG 95 HH21 ARG 95 8.046 -13.088 9.461 9 HH22 ARG 95 HH22 ARG 95 8.470 -11.547 8.789 10 H ARG 95 HN ARG 95 6.896 -16.782 14.253 11 HB3 ARG 95 HB1 ARG 95 6.618 -14.223 14.263 12 HG3 ARG 95 HG1 ARG 95 9.419 -13.062 14.072 13 HD3 ARG 95 HD1 ARG 95 8.337 -10.983 13.380 No H/Q in entry = 13 In of MODEL 20 1 HA ARG 96 HA ARG 96 7.205 -15.732 19.110 2 HB2 ARG 96 HB2 ARG 96 10.119 -16.503 19.532 3 HG2 ARG 96 HG2 ARG 96 7.727 -18.356 19.357 4 HD2 ARG 96 HD2 ARG 96 10.718 -18.809 19.410 5 HE ARG 96 HE ARG 96 8.597 -20.658 18.531 6 HH11 ARG 96 HH11 ARG 96 11.998 -20.149 19.196 7 HH12 ARG 96 HH12 ARG 96 12.505 -21.464 18.188 8 HH21 ARG 96 HH21 ARG 96 9.289 -22.416 17.243 9 HH22 ARG 96 HH22 ARG 96 10.980 -22.755 17.115 10 H ARG 96 HN ARG 96 9.382 -16.064 17.238 11 HB3 ARG 96 HB1 ARG 96 8.825 -16.705 20.712 12 HG3 ARG 96 HG1 ARG 96 8.775 -18.010 17.979 13 HD3 ARG 96 HD1 ARG 96 9.514 -19.389 20.569 No H/Q in entry = 13 In of MODEL 20 1 HA3 GLY 97 HA2 GLY 97 8.671 -11.483 19.572 2 H GLY 97 HN GLY 97 9.523 -13.673 17.904 3 HA2 GLY 97 HA1 GLY 97 10.382 -11.895 19.761 No H/Q in entry = 3 In of MODEL 20 1 HA SER 98 HA SER 98 9.923 -9.111 16.071 2 HB2 SER 98 HB2 SER 98 11.787 -7.606 17.966 3 HG SER 98 HG SER 98 9.451 -6.378 17.462 4 H SER 98 HN SER 98 10.257 -9.520 18.848 5 HB3 SER 98 HB1 SER 98 11.156 -7.014 16.427 No H/Q in entry = 5 In of MODEL 20 1 HA ALA 99 HA ALA 99 13.495 -11.040 14.359 2 HB1 ALA 99 HB1 ALA 99 12.335 -10.325 12.302 3 HB2 ALA 99 HB2 ALA 99 14.083 -10.172 12.119 4 HB3 ALA 99 HB3 ALA 99 13.096 -8.734 12.404 5 H ALA 99 HN ALA 99 11.510 -8.995 14.378 No H/Q in entry = 5 In of MODEL 20 1 HA LYS 100 HA LYS 100 16.382 -7.150 14.986 2 HB2 LYS 100 HB2 LYS 100 15.882 -5.065 16.231 3 HG2 LYS 100 HG2 LYS 100 12.932 -5.714 16.007 4 HD2 LYS 100 HD2 LYS 100 13.569 -3.298 16.066 5 HE2 LYS 100 HE2 LYS 100 14.659 -3.941 18.828 6 HZ2 LYS 100 HZ1 LYS 100 15.223 -1.625 18.916 7 HZ1 LYS 100 HZ2 LYS 100 13.551 -1.799 18.733 8 HZ3 LYS 100 HZ3 LYS 100 14.507 -1.345 17.409 9 H LYS 100 HN LYS 100 13.600 -7.507 14.776 10 HB3 LYS 100 HB1 LYS 100 14.912 -5.214 14.771 11 HG3 LYS 100 HG1 LYS 100 13.830 -5.973 17.503 12 HD3 LYS 100 HD1 LYS 100 12.603 -3.791 17.460 13 HE3 LYS 100 HE1 LYS 100 15.629 -3.471 17.431 No H/Q in entry = 13 In of MODEL 20 1 HA TRP 101 HA TRP 101 15.575 -8.093 19.715 2 HB2 TRP 101 HB2 TRP 101 13.158 -8.273 19.952 3 HD1 TRP 101 HD1 TRP 101 14.495 -8.486 22.421 4 HE1 TRP 101 HE1 TRP 101 14.518 -10.450 24.071 5 HE3 TRP 101 HE3 TRP 101 12.892 -12.178 19.282 6 HZ2 TRP 101 HZ2 TRP 101 13.926 -13.216 24.050 7 HZ3 TRP 101 HZ3 TRP 101 12.636 -14.461 20.170 8 HH2 TRP 101 HH2 TRP 101 13.143 -14.965 22.511 9 H TRP 101 HN TRP 101 13.953 -8.076 17.419 10 HB3 TRP 101 HB1 TRP 101 13.116 -9.764 19.018 No H/Q in entry = 10 In of MODEL 20 1 HA MET 102 HA MET 102 16.584 -12.640 18.515 2 HB2 MET 102 HB2 MET 102 15.643 -12.438 15.626 3 HG2 MET 102 HG2 MET 102 14.380 -13.945 17.915 4 HE3 MET 102 HE1 MET 102 11.191 -15.032 15.788 5 HE2 MET 102 HE2 MET 102 11.414 -13.427 16.484 6 HE1 MET 102 HE3 MET 102 11.843 -14.865 17.417 7 H MET 102 HN MET 102 14.985 -10.607 17.262 8 HB3 MET 102 HB1 MET 102 16.294 -13.886 16.389 9 HG3 MET 102 HG1 MET 102 13.740 -12.471 17.181 No H/Q in entry = 9 In of MODEL 20 1 HA ALA 103 HA ALA 103 19.866 -10.907 15.504 2 HB3 ALA 103 HB1 ALA 103 18.467 -9.404 14.133 3 HB2 ALA 103 HB2 ALA 103 20.048 -8.689 14.454 4 HB1 ALA 103 HB3 ALA 103 18.628 -8.133 15.347 5 H ALA 103 HN ALA 103 17.326 -9.914 16.514 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 104 HA GLU 104 21.379 -8.064 18.975 2 HB2 GLU 104 HB2 GLU 104 18.696 -7.264 20.185 3 HG2 GLU 104 HG2 GLU 104 20.257 -5.845 18.019 4 H GLU 104 HN GLU 104 18.670 -8.859 18.113 5 HB3 GLU 104 HB1 GLU 104 20.260 -6.486 20.449 6 HG3 GLU 104 HG1 GLU 104 18.648 -6.513 17.880 No H/Q in entry = 6 In of MODEL 20 1 HA HIS 105 HA HIS 105 20.288 -11.306 22.095 2 HB2 HIS 105 HB2 HIS 105 17.236 -11.095 21.898 3 HD1 HIS 105 HD1 HIS 105 19.314 -10.009 24.831 4 HD2 HIS 105 HD2 HIS 105 17.019 -8.309 21.809 5 HE1 HIS 105 HE1 HIS 105 19.041 -7.592 25.465 6 HE2 HIS 105 HE2 HIS 105 17.700 -6.569 23.592 7 H HIS 105 HN HIS 105 18.924 -10.333 19.688 8 HB3 HIS 105 HB1 HIS 105 18.150 -11.742 23.257 No H/Q in entry = 8 In of MODEL 20 1 HA PRO 106 HA PRO 106 20.072 -14.482 18.646 2 HB2 PRO 106 HB2 PRO 106 22.030 -15.589 20.668 3 HG2 PRO 106 HG2 PRO 106 23.538 -13.855 20.359 4 HD2 PRO 106 HD2 PRO 106 22.025 -12.477 21.420 5 HB3 PRO 106 HB1 PRO 106 22.080 -15.612 18.900 6 HG3 PRO 106 HG1 PRO 106 22.891 -13.454 18.756 7 HD3 PRO 106 HD1 PRO 106 21.777 -11.756 19.821 No H/Q in entry = 7 In of MODEL 20 1 HA LEU 107 HA LEU 107 17.255 -16.853 21.099 2 HB2 LEU 107 HB2 LEU 107 15.998 -15.965 19.024 3 HG LEU 107 HG LEU 107 15.166 -18.747 19.940 4 HD11 LEU 107 HD11 LEU 107 14.400 -16.025 21.024 5 HD13 LEU 107 HD12 LEU 107 15.384 -17.248 21.835 6 HD12 LEU 107 HD13 LEU 107 13.685 -17.564 21.507 7 HD22 LEU 107 HD21 LEU 107 12.900 -18.126 19.220 8 HD21 LEU 107 HD22 LEU 107 14.024 -18.125 17.860 9 HD23 LEU 107 HD23 LEU 107 13.511 -16.593 18.576 10 H LEU 107 HN LEU 107 18.493 -15.868 18.658 11 HB3 LEU 107 HB1 LEU 107 16.443 -17.464 18.229 No H/Q in entry = 11 In of MODEL 20 1 HA ALA 108 HA ALA 108 18.921 -20.943 20.938 2 HB3 ALA 108 HB1 ALA 108 16.071 -21.596 21.757 3 HB2 ALA 108 HB2 ALA 108 17.384 -21.147 22.846 4 HB1 ALA 108 HB3 ALA 108 17.471 -22.661 21.944 5 H ALA 108 HN ALA 108 16.680 -19.198 21.288 No H/Q in entry = 5 In of MODEL 20 1 HA SER 109 HA SER 109 16.613 -22.342 17.062 2 HB2 SER 109 HB2 SER 109 15.393 -19.591 16.556 3 HG SER 109 HG SER 109 14.690 -21.043 18.446 4 H SER 109 HN SER 109 16.714 -19.911 18.700 5 HB3 SER 109 HB1 SER 109 15.043 -21.078 15.667 No H/Q in entry = 5
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