NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3586 | 1dwm | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 17.009 10.282 -9.340 2 HA SER 1 HA SER 1 16.801 7.360 -8.774 3 1HB SER 1 1HB SER 1 17.760 9.027 -7.171 4 2HB SER 1 2HB SER 1 16.148 9.722 -6.930 5 HG SER 1 HG SER 1 16.628 8.120 -5.370 6 H ARG 2 H ARG 2 15.095 6.455 -9.891 7 HA ARG 2 HA ARG 2 12.432 6.727 -8.795 8 1HB ARG 2 1HB ARG 2 13.118 7.705 -11.514 9 2HB ARG 2 2HB ARG 2 11.702 6.677 -11.424 10 1HG ARG 2 1HG ARG 2 10.877 8.213 -9.576 11 2HG ARG 2 2HG ARG 2 12.180 9.303 -10.062 12 1HD ARG 2 1HD ARG 2 9.964 9.795 -11.087 13 2HD ARG 2 2HD ARG 2 11.271 9.542 -12.230 14 HE ARG 2 HE ARG 2 9.131 7.602 -11.590 15 1HH1 ARG 2 1HH1 ARG 2 11.570 8.805 -13.829 16 2HH1 ARG 2 2HH1 ARG 2 11.078 7.755 -15.094 17 1HH2 ARG 2 1HH2 ARG 2 8.511 6.220 -13.291 18 2HH2 ARG 2 2HH2 ARG 2 9.356 6.287 -14.802 19 H ARG 3 H ARG 3 13.423 4.633 -8.108 20 HA ARG 3 HA ARG 3 12.421 2.532 -9.869 21 1HB ARG 3 1HB ARG 3 15.308 2.962 -9.266 22 2HB ARG 3 2HB ARG 3 14.739 1.300 -9.209 23 1HG ARG 3 1HG ARG 3 14.199 3.067 -11.580 24 2HG ARG 3 2HG ARG 3 15.703 2.186 -11.395 25 1HD ARG 3 1HD ARG 3 13.340 0.541 -10.914 26 2HD ARG 3 2HD ARG 3 13.380 1.233 -12.529 27 HE ARG 3 HE ARG 3 15.806 0.280 -12.498 28 1HH1 ARG 3 1HH1 ARG 3 12.916 -1.260 -11.200 29 2HH1 ARG 3 2HH1 ARG 3 13.526 -2.846 -11.439 30 1HH2 ARG 3 1HH2 ARG 3 16.578 -1.838 -12.809 31 2HH2 ARG 3 2HH2 ARG 3 15.590 -3.186 -12.354 32 H CYS 4 H CYS 4 10.862 2.218 -8.274 33 HA CYS 4 HA CYS 4 11.745 1.546 -5.590 34 1HB CYS 4 1HB CYS 4 9.078 2.007 -6.873 35 2HB CYS 4 2HB CYS 4 9.148 1.119 -5.356 36 1HB PRO 5 1HB PRO 5 11.190 -3.700 -3.727 37 2HB PRO 5 2HB PRO 5 12.752 -2.980 -4.113 38 1HG PRO 5 1HG PRO 5 10.367 -1.724 -2.863 39 2HG PRO 5 2HG PRO 5 12.063 -1.583 -2.387 40 1HD PRO 5 1HD PRO 5 10.784 0.328 -3.798 41 2HD PRO 5 2HD PRO 5 12.506 -0.032 -4.049 42 H GLY 6 H GLY 6 10.510 -4.736 -6.280 43 1HA GLY 6 1HA GLY 6 8.536 -5.882 -6.474 44 2HA GLY 6 2HA GLY 6 7.767 -4.627 -5.557 45 H LYS 7 H LYS 7 6.609 -5.933 -7.744 46 HA LYS 7 HA LYS 7 6.858 -4.660 -10.209 47 1HB LYS 7 1HB LYS 7 5.658 -6.760 -9.767 48 2HB LYS 7 2HB LYS 7 4.384 -5.865 -8.981 49 1HG LYS 7 1HG LYS 7 3.746 -4.814 -10.978 50 2HG LYS 7 2HG LYS 7 5.167 -5.395 -11.843 51 1HD LYS 7 1HD LYS 7 3.199 -7.312 -10.597 52 2HD LYS 7 2HD LYS 7 2.866 -6.589 -12.158 53 1HE LYS 7 1HE LYS 7 4.735 -7.564 -13.156 54 2HE LYS 7 2HE LYS 7 5.462 -7.981 -11.605 55 1HZ LYS 7 1HZ LYS 7 3.609 -9.548 -11.241 56 2HZ LYS 7 2HZ LYS 7 3.029 -9.197 -12.797 57 3HZ LYS 7 3HZ LYS 7 4.535 -9.940 -12.599 58 H ASN 8 H ASN 8 5.864 -2.885 -11.174 59 HA ASN 8 HA ASN 8 4.781 -0.904 -9.277 60 1HB ASN 8 1HB ASN 8 6.207 -0.728 -11.907 61 2HB ASN 8 2HB ASN 8 5.218 0.627 -11.373 62 2HD2 ASN 8 2HD2 ASN 8 6.103 2.052 -10.005 63 1HD2 ASN 8 1HD2 ASN 8 7.605 1.823 -9.186 64 H ALA 9 H ALA 9 3.662 -3.010 -11.696 65 HA ALA 9 HA ALA 9 1.048 -1.789 -11.625 66 1HB ALA 9 1HB ALA 9 2.518 -2.109 -14.233 67 2HB ALA 9 2HB ALA 9 0.825 -1.627 -14.057 68 3HB ALA 9 3HB ALA 9 2.113 -0.573 -13.471 69 H TRP 10 H TRP 10 -0.584 -3.261 -11.911 70 HA TRP 10 HA TRP 10 0.282 -6.012 -12.624 71 1HB TRP 10 1HB TRP 10 -1.660 -5.093 -10.528 72 2HB TRP 10 2HB TRP 10 -1.561 -6.750 -11.083 73 HD1 TRP 10 HD1 TRP 10 0.217 -8.254 -9.969 74 HE1 TRP 10 HE1 TRP 10 2.052 -7.878 -8.212 75 HE3 TRP 10 HE3 TRP 10 0.072 -3.164 -9.700 76 HZ2 TRP 10 HZ2 TRP 10 3.273 -5.709 -6.901 77 HZ3 TRP 10 HZ3 TRP 10 1.580 -2.004 -8.150 78 HH2 TRP 10 HH2 TRP 10 3.153 -3.258 -6.766 79 1HB PRO 11 1HB PRO 11 -1.968 -4.787 -17.748 80 2HB PRO 11 2HB PRO 11 -1.283 -6.346 -17.282 81 1HG PRO 11 1HG PRO 11 0.624 -5.054 -17.196 82 2HG PRO 11 2HG PRO 11 -0.270 -3.593 -16.736 83 1HD PRO 11 1HD PRO 11 0.488 -4.124 -14.658 84 2HD PRO 11 2HD PRO 11 0.685 -5.836 -15.037 85 H GLU 12 H GLU 12 -1.604 -7.611 -14.967 86 HA GLU 12 HA GLU 12 -3.729 -9.137 -16.001 87 1HB GLU 12 1HB GLU 12 -2.820 -10.975 -14.717 88 2HB GLU 12 2HB GLU 12 -1.533 -10.075 -15.502 89 1HG GLU 12 1HG GLU 12 -2.133 -9.157 -12.767 90 2HG GLU 12 2HG GLU 12 -1.614 -10.831 -12.885 91 H LEU 13 H LEU 13 -3.777 -7.050 -13.331 92 HA LEU 13 HA LEU 13 -5.639 -8.602 -11.775 93 1HB LEU 13 1HB LEU 13 -4.448 -5.870 -11.506 94 2HB LEU 13 2HB LEU 13 -5.814 -6.323 -10.518 95 HG LEU 13 HG LEU 13 -3.097 -7.619 -10.534 96 1HD1 LEU 13 1HD1 LEU 13 -4.570 -5.867 -8.600 97 2HD1 LEU 13 2HD1 LEU 13 -3.291 -6.933 -8.070 98 3HD1 LEU 13 3HD1 LEU 13 -2.957 -5.689 -9.220 99 1HD2 LEU 13 1HD2 LEU 13 -5.678 -8.488 -9.281 100 2HD2 LEU 13 2HD2 LEU 13 -4.513 -9.420 -10.215 101 3HD2 LEU 13 3HD2 LEU 13 -4.121 -8.916 -8.599 102 H VAL 14 H VAL 14 -5.767 -6.397 -14.385 103 HA VAL 14 HA VAL 14 -8.221 -5.148 -13.986 104 HB VAL 14 HB VAL 14 -7.109 -6.100 -16.633 105 1HG1 VAL 14 1HG1 VAL 14 -9.051 -3.898 -15.960 106 2HG1 VAL 14 2HG1 VAL 14 -8.366 -4.196 -17.554 107 3HG1 VAL 14 3HG1 VAL 14 -9.428 -5.392 -16.819 108 1HG2 VAL 14 1HG2 VAL 14 -5.463 -4.756 -15.352 109 2HG2 VAL 14 2HG2 VAL 14 -6.024 -3.937 -16.791 110 3HG2 VAL 14 3HG2 VAL 14 -6.646 -3.476 -15.211 111 H GLY 15 H GLY 15 -10.137 -6.097 -13.566 112 1HA GLY 15 1HA GLY 15 -11.989 -7.318 -14.484 113 2HA GLY 15 2HA GLY 15 -10.876 -8.524 -15.108 114 H LYS 16 H LYS 16 -9.588 -7.880 -12.200 115 HA LYS 16 HA LYS 16 -11.050 -10.102 -10.942 116 1HB LYS 16 1HB LYS 16 -8.272 -9.067 -10.829 117 2HB LYS 16 2HB LYS 16 -8.917 -9.656 -9.315 118 1HG LYS 16 1HG LYS 16 -9.491 -11.514 -11.473 119 2HG LYS 16 2HG LYS 16 -7.776 -11.105 -11.403 120 1HD LYS 16 1HD LYS 16 -8.067 -11.534 -8.839 121 2HD LYS 16 2HD LYS 16 -9.510 -12.419 -9.341 122 1HE LYS 16 1HE LYS 16 -8.294 -14.053 -10.398 123 2HE LYS 16 2HE LYS 16 -6.932 -12.985 -10.741 124 1HZ LYS 16 1HZ LYS 16 -6.397 -13.039 -8.360 125 2HZ LYS 16 2HZ LYS 16 -7.637 -14.162 -8.113 126 3HZ LYS 16 3HZ LYS 16 -6.301 -14.571 -9.071 127 H SER 17 H SER 17 -11.532 -9.991 -8.656 128 HA SER 17 HA SER 17 -13.002 -7.720 -7.960 129 1HB SER 17 1HB SER 17 -13.390 -8.747 -5.873 130 2HB SER 17 2HB SER 17 -13.137 -10.098 -6.973 131 HG SER 17 HG SER 17 -11.947 -10.167 -4.917 132 H GLY 18 H GLY 18 -12.593 -5.901 -6.753 133 1HA GLY 18 1HA GLY 18 -10.083 -4.757 -6.700 134 2HA GLY 18 2HA GLY 18 -11.396 -4.284 -5.658 135 H ASN 19 H ASN 19 -11.491 -6.968 -4.378 136 HA ASN 19 HA ASN 19 -9.556 -6.423 -2.336 137 1HB ASN 19 1HB ASN 19 -11.986 -7.774 -2.433 138 2HB ASN 19 2HB ASN 19 -10.827 -9.081 -2.228 139 2HD2 ASN 19 2HD2 ASN 19 -9.097 -8.555 -0.509 140 1HD2 ASN 19 1HD2 ASN 19 -9.717 -7.881 0.956 141 H MET 20 H MET 20 -9.968 -9.000 -4.760 142 HA MET 20 HA MET 20 -7.644 -10.441 -4.000 143 1HB MET 20 1HB MET 20 -9.590 -11.233 -5.478 144 2HB MET 20 2HB MET 20 -8.814 -10.361 -6.787 145 1HG MET 20 1HG MET 20 -8.044 -12.466 -7.073 146 2HG MET 20 2HG MET 20 -6.706 -11.751 -6.198 147 1HE MET 20 1HE MET 20 -5.871 -12.531 -4.029 148 2HE MET 20 2HE MET 20 -6.210 -14.166 -3.459 149 3HE MET 20 3HE MET 20 -5.600 -13.911 -5.093 150 H ALA 21 H ALA 21 -8.237 -7.724 -6.137 151 HA ALA 21 HA ALA 21 -5.723 -7.700 -7.413 152 1HB ALA 21 1HB ALA 21 -7.942 -5.744 -7.080 153 2HB ALA 21 2HB ALA 21 -7.236 -6.441 -8.540 154 3HB ALA 21 3HB ALA 21 -6.389 -5.164 -7.684 155 H ALA 22 H ALA 22 -6.974 -5.579 -4.830 156 HA ALA 22 HA ALA 22 -4.611 -4.303 -4.194 157 1HB ALA 22 1HB ALA 22 -6.699 -5.128 -2.171 158 2HB ALA 22 2HB ALA 22 -6.874 -3.770 -3.282 159 3HB ALA 22 3HB ALA 22 -5.593 -3.753 -2.078 160 H ALA 23 H ALA 23 -5.838 -7.406 -3.023 161 HA ALA 23 HA ALA 23 -3.807 -7.943 -1.153 162 1HB ALA 23 1HB ALA 23 -5.419 -9.902 -2.792 163 2HB ALA 23 2HB ALA 23 -5.913 -9.192 -1.255 164 3HB ALA 23 3HB ALA 23 -4.516 -10.267 -1.320 165 H THR 24 H THR 24 -4.105 -8.768 -4.600 166 HA THR 24 HA THR 24 -1.761 -10.261 -4.859 167 HB THR 24 HB THR 24 -3.059 -8.467 -6.901 168 HG1 THR 24 HG1 THR 24 -4.508 -10.030 -6.188 169 1HG2 THR 24 1HG2 THR 24 -1.178 -10.766 -7.239 170 2HG2 THR 24 2HG2 THR 24 -2.130 -10.075 -8.539 171 3HG2 THR 24 3HG2 THR 24 -0.876 -9.100 -7.755 172 H VAL 25 H VAL 25 -2.278 -6.763 -5.029 173 HA VAL 25 HA VAL 25 0.356 -6.116 -5.856 174 HB VAL 25 HB VAL 25 -1.566 -4.394 -4.283 175 1HG1 VAL 25 1HG1 VAL 25 1.124 -3.901 -5.065 176 2HG1 VAL 25 2HG1 VAL 25 0.088 -2.967 -6.126 177 3HG1 VAL 25 3HG1 VAL 25 -0.061 -2.783 -4.394 178 1HG2 VAL 25 1HG2 VAL 25 -1.234 -4.731 -7.261 179 2HG2 VAL 25 2HG2 VAL 25 -2.640 -5.175 -6.309 180 3HG2 VAL 25 3HG2 VAL 25 -2.207 -3.489 -6.483 181 H GLU 26 H GLU 26 -1.170 -5.948 -2.617 182 HA GLU 26 HA GLU 26 1.234 -5.284 -1.278 183 1HB GLU 26 1HB GLU 26 -1.373 -6.465 -0.338 184 2HB GLU 26 2HB GLU 26 -0.061 -6.107 0.780 185 1HG GLU 26 1HG GLU 26 -0.223 -3.836 0.473 186 2HG GLU 26 2HG GLU 26 -1.070 -3.984 -1.068 187 H ARG 27 H ARG 27 -0.061 -8.352 -2.346 188 HA ARG 27 HA ARG 27 1.696 -9.880 -0.623 189 1HB ARG 27 1HB ARG 27 -0.665 -10.440 -1.995 190 2HB ARG 27 2HB ARG 27 0.535 -11.342 -2.877 191 1HG ARG 27 1HG ARG 27 0.937 -11.716 -0.044 192 2HG ARG 27 2HG ARG 27 -0.761 -11.958 -0.444 193 1HD ARG 27 1HD ARG 27 1.606 -13.342 -1.693 194 2HD ARG 27 2HD ARG 27 0.406 -14.052 -0.612 195 HE ARG 27 HE ARG 27 -0.949 -13.014 -2.831 196 1HH1 ARG 27 1HH1 ARG 27 1.341 -15.569 -2.085 197 2HH1 ARG 27 2HH1 ARG 27 0.797 -16.574 -3.378 198 1HH2 ARG 27 1HH2 ARG 27 -1.641 -14.351 -4.526 199 2HH2 ARG 27 2HH2 ARG 27 -0.888 -15.893 -4.764 200 H GLU 28 H GLU 28 1.394 -9.465 -4.169 201 HA GLU 28 HA GLU 28 3.826 -10.783 -4.768 202 1HB GLU 28 1HB GLU 28 2.061 -8.878 -6.278 203 2HB GLU 28 2HB GLU 28 3.644 -9.261 -6.911 204 1HG GLU 28 1HG GLU 28 2.892 -11.732 -6.571 205 2HG GLU 28 2HG GLU 28 1.272 -11.030 -6.572 206 H ASN 29 H ASN 29 3.069 -7.502 -3.823 207 HA ASN 29 HA ASN 29 5.957 -6.877 -3.855 208 1HB ASN 29 1HB ASN 29 4.800 -5.731 -5.660 209 2HB ASN 29 2HB ASN 29 3.666 -5.022 -4.537 210 2HD2 ASN 29 2HD2 ASN 29 5.385 -3.627 -6.339 211 1HD2 ASN 29 1HD2 ASN 29 6.464 -2.688 -5.370 212 H ARG 30 H ARG 30 6.048 -7.545 -1.693 213 HA ARG 30 HA ARG 30 4.393 -6.598 0.359 214 1HB ARG 30 1HB ARG 30 6.563 -8.342 0.151 215 2HB ARG 30 2HB ARG 30 7.162 -7.072 1.196 216 1HG ARG 30 1HG ARG 30 4.522 -7.781 2.061 217 2HG ARG 30 2HG ARG 30 5.444 -9.255 1.780 218 1HD ARG 30 1HD ARG 30 7.247 -7.619 3.133 219 2HD ARG 30 2HD ARG 30 5.686 -7.239 3.861 220 HE ARG 30 HE ARG 30 5.837 -9.212 4.956 221 1HH1 ARG 30 1HH1 ARG 30 7.679 -9.523 1.973 222 2HH1 ARG 30 2HH1 ARG 30 8.152 -11.128 2.295 223 1HH2 ARG 30 1HH2 ARG 30 6.507 -11.349 5.376 224 2HH2 ARG 30 2HH2 ARG 30 7.512 -12.181 4.236 225 H ASN 31 H ASN 31 6.570 -4.785 -1.504 226 HA ASN 31 HA ASN 31 7.238 -2.956 0.663 227 1HB ASN 31 1HB ASN 31 8.971 -3.628 -0.968 228 2HB ASN 31 2HB ASN 31 8.036 -2.857 -2.246 229 2HD2 ASN 31 2HD2 ASN 31 10.030 -2.355 0.564 230 1HD2 ASN 31 1HD2 ASN 31 10.256 -0.659 0.321 231 H VAL 32 H VAL 32 4.551 -3.344 -1.211 232 HA VAL 32 HA VAL 32 4.060 -0.444 -1.204 233 HB VAL 32 HB VAL 32 2.749 -0.629 -3.246 234 1HG1 VAL 32 1HG1 VAL 32 5.135 -0.083 -3.430 235 2HG1 VAL 32 2HG1 VAL 32 5.515 -1.771 -3.570 236 3HG1 VAL 32 3HG1 VAL 32 4.567 -0.995 -4.815 237 1HG2 VAL 32 1HG2 VAL 32 3.436 -3.531 -3.038 238 2HG2 VAL 32 2HG2 VAL 32 1.889 -2.769 -3.284 239 3HG2 VAL 32 3HG2 VAL 32 3.066 -2.808 -4.590 240 H HIS 33 H HIS 33 1.710 0.074 -1.337 241 HA HIS 33 HA HIS 33 0.042 -1.909 0.029 242 1HB HIS 33 1HB HIS 33 0.165 -0.752 1.908 243 2HB HIS 33 2HB HIS 33 1.055 0.552 1.159 244 HD1 HIS 33 HD1 HIS 33 -2.374 -0.498 2.188 245 HD2 HIS 33 HD2 HIS 33 -0.510 2.789 0.464 246 HE1 HIS 33 HE1 HIS 33 -4.055 1.360 2.292 247 HE2 HIS 33 HE2 HIS 33 -2.782 3.380 1.505 248 H ALA 34 H ALA 34 -1.905 -2.141 -0.891 249 HA ALA 34 HA ALA 34 -2.658 -0.251 -2.982 250 1HB ALA 34 1HB ALA 34 -3.577 -3.079 -2.528 251 2HB ALA 34 2HB ALA 34 -4.036 -2.047 -3.884 252 3HB ALA 34 3HB ALA 34 -2.354 -2.542 -3.674 253 H ILE 35 H ILE 35 -4.643 0.672 -3.115 254 HA ILE 35 HA ILE 35 -6.421 0.382 -0.759 255 HB ILE 35 HB ILE 35 -6.049 2.874 -2.418 256 1HG1 ILE 35 1HG1 ILE 35 -5.000 2.488 0.386 257 2HG1 ILE 35 2HG1 ILE 35 -4.005 2.108 -1.009 258 1HG2 ILE 35 1HG2 ILE 35 -7.458 2.353 0.199 259 2HG2 ILE 35 2HG2 ILE 35 -7.219 3.944 -0.523 260 3HG2 ILE 35 3HG2 ILE 35 -8.221 2.754 -1.343 261 1HD1 ILE 35 1HD1 ILE 35 -5.215 4.804 -0.485 262 2HD1 ILE 35 2HD1 ILE 35 -3.572 4.324 -0.104 263 3HD1 ILE 35 3HD1 ILE 35 -4.098 4.351 -1.767 264 H VAL 36 H VAL 36 -8.619 0.271 -1.153 265 HA VAL 36 HA VAL 36 -9.346 -0.325 -3.933 266 HB VAL 36 HB VAL 36 -10.875 -0.837 -1.387 267 1HG1 VAL 36 1HG1 VAL 36 -11.430 -1.520 -4.273 268 2HG1 VAL 36 2HG1 VAL 36 -12.123 -2.434 -2.939 269 3HG1 VAL 36 3HG1 VAL 36 -12.477 -0.718 -3.102 270 1HG2 VAL 36 1HG2 VAL 36 -8.799 -2.134 -1.529 271 2HG2 VAL 36 2HG2 VAL 36 -10.214 -3.167 -1.687 272 3HG2 VAL 36 3HG2 VAL 36 -9.278 -2.725 -3.119 273 H LEU 37 H LEU 37 -10.616 0.908 -5.122 274 HA LEU 37 HA LEU 37 -12.561 2.707 -3.974 275 1HB LEU 37 1HB LEU 37 -11.444 4.594 -5.450 276 2HB LEU 37 2HB LEU 37 -11.080 4.365 -3.767 277 HG LEU 37 HG LEU 37 -9.262 2.743 -5.331 278 1HD1 LEU 37 1HD1 LEU 37 -9.663 5.538 -6.303 279 2HD1 LEU 37 2HD1 LEU 37 -8.071 4.776 -6.364 280 3HD1 LEU 37 3HD1 LEU 37 -9.439 4.053 -7.202 281 1HD2 LEU 37 1HD2 LEU 37 -9.239 4.337 -3.019 282 2HD2 LEU 37 2HD2 LEU 37 -7.929 3.387 -3.696 283 3HD2 LEU 37 3HD2 LEU 37 -8.118 5.058 -4.130 284 H LYS 38 H LYS 38 -14.018 3.560 -5.516 285 HA LYS 38 HA LYS 38 -14.210 1.874 -7.868 286 1HB LYS 38 1HB LYS 38 -16.045 3.288 -6.153 287 2HB LYS 38 2HB LYS 38 -16.359 3.718 -7.823 288 1HG LYS 38 1HG LYS 38 -17.198 1.718 -8.337 289 2HG LYS 38 2HG LYS 38 -16.000 0.844 -7.399 290 1HD LYS 38 1HD LYS 38 -17.223 1.638 -5.322 291 2HD LYS 38 2HD LYS 38 -18.009 0.405 -6.309 292 1HE LYS 38 1HE LYS 38 -18.596 3.316 -6.763 293 2HE LYS 38 2HE LYS 38 -19.572 1.904 -7.161 294 1HZ LYS 38 1HZ LYS 38 -19.011 2.855 -4.399 295 2HZ LYS 38 2HZ LYS 38 -20.429 3.171 -5.265 296 3HZ LYS 38 3HZ LYS 38 -20.041 1.584 -4.840 297 H GLU 39 H GLU 39 -14.863 2.729 -9.952 298 HA GLU 39 HA GLU 39 -13.020 4.505 -11.026 299 1HB GLU 39 1HB GLU 39 -14.900 2.821 -12.053 300 2HB GLU 39 2HB GLU 39 -15.613 4.379 -12.439 301 1HG GLU 39 1HG GLU 39 -13.727 5.025 -13.720 302 2HG GLU 39 2HG GLU 39 -12.778 3.654 -13.143 303 H GLY 40 H GLY 40 -12.755 6.619 -10.806 304 1HA GLY 40 1HA GLY 40 -13.514 8.827 -11.100 305 2HA GLY 40 2HA GLY 40 -15.150 8.343 -10.702 306 H SER 41 H SER 41 -13.044 6.888 -8.519 307 HA SER 41 HA SER 41 -13.987 8.422 -6.361 308 1HB SER 41 1HB SER 41 -13.366 6.282 -5.735 309 2HB SER 41 2HB SER 41 -11.872 6.326 -6.671 310 HG SER 41 HG SER 41 -12.010 6.701 -4.142 311 H ALA 42 H ALA 42 -13.228 10.194 -5.390 312 HA ALA 42 HA ALA 42 -11.252 11.812 -6.638 313 1HB ALA 42 1HB ALA 42 -13.109 12.782 -5.408 314 2HB ALA 42 2HB ALA 42 -11.577 13.308 -4.712 315 3HB ALA 42 3HB ALA 42 -12.529 12.054 -3.912 316 H MET 43 H MET 43 -9.406 10.362 -6.686 317 HA MET 43 HA MET 43 -8.063 10.087 -4.070 318 1HB MET 43 1HB MET 43 -8.014 8.439 -6.592 319 2HB MET 43 2HB MET 43 -6.800 8.296 -5.362 320 1HG MET 43 1HG MET 43 -9.715 7.868 -4.949 321 2HG MET 43 2HG MET 43 -8.515 6.630 -5.147 322 1HE MET 43 1HE MET 43 -10.655 8.199 -2.854 323 2HE MET 43 2HE MET 43 -10.411 6.489 -2.499 324 3HE MET 43 3HE MET 43 -10.009 7.708 -1.288 325 H THR 44 H THR 44 -5.698 10.139 -4.151 326 HA THR 44 HA THR 44 -4.804 12.556 -5.286 327 HB THR 44 HB THR 44 -2.604 10.768 -4.719 328 HG1 THR 44 HG1 THR 44 -4.466 10.933 -2.593 329 1HG2 THR 44 1HG2 THR 44 -2.535 13.205 -4.424 330 2HG2 THR 44 2HG2 THR 44 -3.670 13.038 -3.081 331 3HG2 THR 44 3HG2 THR 44 -2.070 12.303 -2.980 332 H LYS 45 H LYS 45 -2.917 12.768 -6.761 333 HA LYS 45 HA LYS 45 -3.090 10.792 -8.948 334 1HB LYS 45 1HB LYS 45 -3.055 13.772 -8.929 335 2HB LYS 45 2HB LYS 45 -2.251 12.959 -10.264 336 1HG LYS 45 1HG LYS 45 -5.122 12.532 -9.455 337 2HG LYS 45 2HG LYS 45 -4.562 13.586 -10.757 338 1HD LYS 45 1HD LYS 45 -3.387 11.443 -11.664 339 2HD LYS 45 2HD LYS 45 -4.474 10.589 -10.567 340 1HE LYS 45 1HE LYS 45 -6.137 10.747 -12.009 341 2HE LYS 45 2HE LYS 45 -6.006 12.503 -12.054 342 1HZ LYS 45 1HZ LYS 45 -4.191 12.201 -13.716 343 2HZ LYS 45 2HZ LYS 45 -4.561 10.551 -13.755 344 3HZ LYS 45 3HZ LYS 45 -5.719 11.683 -14.238 345 H ASP 46 H ASP 46 -1.002 12.612 -6.854 346 HA ASP 46 HA ASP 46 1.402 12.523 -8.187 347 1HB ASP 46 1HB ASP 46 2.462 12.532 -5.949 348 2HB ASP 46 2HB ASP 46 1.123 13.670 -6.058 349 H PHE 47 H PHE 47 3.316 11.105 -7.448 350 HA PHE 47 HA PHE 47 2.531 8.305 -7.901 351 1HB PHE 47 1HB PHE 47 4.093 9.040 -9.499 352 2HB PHE 47 2HB PHE 47 5.076 9.864 -8.299 353 HD1 PHE 47 HD1 PHE 47 4.189 6.595 -9.722 354 HD2 PHE 47 HD2 PHE 47 6.708 8.689 -6.995 355 HE1 PHE 47 HE1 PHE 47 5.645 4.633 -9.551 356 HE2 PHE 47 HE2 PHE 47 8.153 6.711 -6.813 357 HZ PHE 47 HZ PHE 47 7.599 4.664 -8.075 358 H ARG 48 H ARG 48 2.678 6.812 -6.358 359 HA ARG 48 HA ARG 48 4.523 7.184 -4.102 360 1HB ARG 48 1HB ARG 48 1.532 6.982 -3.906 361 2HB ARG 48 2HB ARG 48 2.538 6.339 -2.623 362 1HG ARG 48 1HG ARG 48 3.592 8.595 -2.438 363 2HG ARG 48 2HG ARG 48 2.382 9.193 -3.578 364 1HD ARG 48 1HD ARG 48 0.669 8.183 -1.956 365 2HD ARG 48 2HD ARG 48 1.453 9.674 -1.490 366 HE ARG 48 HE ARG 48 1.745 7.044 -0.296 367 1HH1 ARG 48 1HH1 ARG 48 3.071 10.289 -0.544 368 2HH1 ARG 48 2HH1 ARG 48 3.932 10.170 0.941 369 1HH2 ARG 48 1HH2 ARG 48 2.916 6.905 1.658 370 2HH2 ARG 48 2HH2 ARG 48 3.855 8.258 2.194 371 H CYS 49 H CYS 49 5.720 5.413 -4.196 372 HA CYS 49 HA CYS 49 5.018 3.010 -5.451 373 1HB CYS 49 1HB CYS 49 7.017 2.081 -4.585 374 2HB CYS 49 2HB CYS 49 7.072 3.247 -3.267 375 H ASP 50 H ASP 50 4.703 4.044 -2.105 376 HA ASP 50 HA ASP 50 3.915 1.432 -1.179 377 1HB ASP 50 1HB ASP 50 3.409 2.581 0.949 378 2HB ASP 50 2HB ASP 50 5.030 2.921 0.361 379 H ARG 51 H ARG 51 2.306 3.688 -3.028 380 HA ARG 51 HA ARG 51 -0.285 2.793 -1.997 381 1HB ARG 51 1HB ARG 51 0.321 5.240 -1.676 382 2HB ARG 51 2HB ARG 51 0.172 5.392 -3.424 383 1HG ARG 51 1HG ARG 51 -2.165 4.492 -3.208 384 2HG ARG 51 2HG ARG 51 -1.939 4.607 -1.461 385 1HD ARG 51 1HD ARG 51 -3.064 6.584 -2.166 386 2HD ARG 51 2HD ARG 51 -1.422 7.013 -1.751 387 HE ARG 51 HE ARG 51 -2.059 6.470 -4.563 388 1HH1 ARG 51 1HH1 ARG 51 -1.341 8.853 -2.066 389 2HH1 ARG 51 2HH1 ARG 51 -0.945 10.075 -3.206 390 1HH2 ARG 51 1HH2 ARG 51 -1.583 8.136 -6.024 391 2HH2 ARG 51 2HH2 ARG 51 -1.015 9.662 -5.462 392 H VAL 52 H VAL 52 -1.563 1.760 -3.367 393 HA VAL 52 HA VAL 52 -1.145 2.090 -6.268 394 HB VAL 52 HB VAL 52 -1.551 -0.572 -4.870 395 1HG1 VAL 52 1HG1 VAL 52 -2.737 -0.469 -7.011 396 2HG1 VAL 52 2HG1 VAL 52 -1.265 0.083 -7.790 397 3HG1 VAL 52 3HG1 VAL 52 -1.338 -1.531 -7.106 398 1HG2 VAL 52 1HG2 VAL 52 0.854 0.872 -5.528 399 2HG2 VAL 52 2HG2 VAL 52 0.652 -0.673 -4.726 400 3HG2 VAL 52 3HG2 VAL 52 0.761 -0.599 -6.478 401 H TRP 53 H TRP 53 -2.999 2.773 -7.153 402 HA TRP 53 HA TRP 53 -5.447 2.654 -5.658 403 1HB TRP 53 1HB TRP 53 -4.812 3.682 -8.415 404 2HB TRP 53 2HB TRP 53 -6.431 3.747 -7.740 405 HD1 TRP 53 HD1 TRP 53 -4.353 6.233 -8.573 406 HE1 TRP 53 HE1 TRP 53 -4.133 8.137 -6.854 407 HE3 TRP 53 HE3 TRP 53 -6.025 3.799 -4.427 408 HZ2 TRP 53 HZ2 TRP 53 -4.554 8.512 -4.108 409 HZ3 TRP 53 HZ3 TRP 53 -6.133 5.008 -2.318 410 HH2 TRP 53 HH2 TRP 53 -5.382 7.319 -2.133 411 H VAL 54 H VAL 54 -7.080 1.293 -5.799 412 HA VAL 54 HA VAL 54 -7.028 -0.726 -7.966 413 HB VAL 54 HB VAL 54 -8.012 -0.918 -5.130 414 1HG1 VAL 54 1HG1 VAL 54 -8.586 -2.638 -7.479 415 2HG1 VAL 54 2HG1 VAL 54 -8.443 -3.370 -5.890 416 3HG1 VAL 54 3HG1 VAL 54 -9.648 -2.135 -6.171 417 1HG2 VAL 54 1HG2 VAL 54 -5.738 -2.119 -6.641 418 2HG2 VAL 54 2HG2 VAL 54 -5.734 -1.315 -5.073 419 3HG2 VAL 54 3HG2 VAL 54 -6.401 -2.936 -5.226 420 H ILE 55 H ILE 55 -8.209 0.663 -9.317 421 HA ILE 55 HA ILE 55 -10.735 1.734 -8.505 422 HB ILE 55 HB ILE 55 -9.786 1.610 -11.335 423 1HG1 ILE 55 1HG1 ILE 55 -8.746 3.218 -9.046 424 2HG1 ILE 55 2HG1 ILE 55 -9.018 4.088 -10.548 425 1HG2 ILE 55 1HG2 ILE 55 -12.079 2.301 -10.955 426 2HG2 ILE 55 2HG2 ILE 55 -11.519 3.592 -9.883 427 3HG2 ILE 55 3HG2 ILE 55 -11.094 3.608 -11.594 428 1HD1 ILE 55 1HD1 ILE 55 -7.492 1.570 -10.771 429 2HD1 ILE 55 2HD1 ILE 55 -7.320 3.106 -11.603 430 3HD1 ILE 55 3HD1 ILE 55 -6.728 2.931 -9.957 431 H VAL 56 H VAL 56 -12.543 0.621 -8.417 432 HA VAL 56 HA VAL 56 -12.950 -1.615 -10.282 433 HB VAL 56 HB VAL 56 -14.267 -2.716 -8.526 434 1HG1 VAL 56 1HG1 VAL 56 -11.401 -2.381 -8.507 435 2HG1 VAL 56 2HG1 VAL 56 -12.012 -2.644 -6.883 436 3HG1 VAL 56 3HG1 VAL 56 -12.371 -3.806 -8.139 437 1HG2 VAL 56 1HG2 VAL 56 -13.316 -0.449 -6.796 438 2HG2 VAL 56 2HG2 VAL 56 -14.975 -0.824 -7.236 439 3HG2 VAL 56 3HG2 VAL 56 -14.088 -1.911 -6.190 440 H ASN 57 H ASN 57 -15.259 -2.182 -10.576 441 HA ASN 57 HA ASN 57 -16.764 0.275 -11.090 442 1HB ASN 57 1HB ASN 57 -16.576 -1.393 -12.868 443 2HB ASN 57 2HB ASN 57 -18.239 -1.139 -12.424 444 2HD2 ASN 57 2HD2 ASN 57 -17.472 -3.381 -13.814 445 1HD2 ASN 57 1HD2 ASN 57 -17.631 -4.756 -12.782 446 H ASP 58 H ASP 58 -19.346 -0.414 -10.929 447 HA ASP 58 HA ASP 58 -19.942 -0.123 -8.223 448 1HB ASP 58 1HB ASP 58 -21.395 -0.222 -10.700 449 2HB ASP 58 2HB ASP 58 -22.219 -1.271 -9.555 450 H HIS 59 H HIS 59 -19.359 -3.002 -10.067 451 HA HIS 59 HA HIS 59 -20.605 -4.742 -8.096 452 1HB HIS 59 1HB HIS 59 -20.733 -5.186 -10.543 453 2HB HIS 59 2HB HIS 59 -19.005 -5.487 -10.554 454 HD1 HIS 59 HD1 HIS 59 -18.665 -7.945 -10.661 455 HD2 HIS 59 HD2 HIS 59 -21.887 -6.959 -8.247 456 HE1 HIS 59 HE1 HIS 59 -19.470 -10.121 -9.722 457 HE2 HIS 59 HE2 HIS 59 -21.506 -9.513 -8.366 458 H GLY 60 H GLY 60 -17.764 -3.080 -8.075 459 1HA GLY 60 1HA GLY 60 -15.961 -3.307 -6.703 460 2HA GLY 60 2HA GLY 60 -16.590 -4.853 -6.153 461 H VAL 61 H VAL 61 -16.171 -4.216 -9.556 462 HA VAL 61 HA VAL 61 -14.034 -6.241 -9.650 463 HB VAL 61 HB VAL 61 -15.648 -5.106 -11.940 464 1HG1 VAL 61 1HG1 VAL 61 -13.853 -7.507 -11.693 465 2HG1 VAL 61 2HG1 VAL 61 -14.902 -7.193 -13.071 466 3HG1 VAL 61 3HG1 VAL 61 -13.590 -6.078 -12.692 467 1HG2 VAL 61 1HG2 VAL 61 -16.132 -7.621 -10.347 468 2HG2 VAL 61 2HG2 VAL 61 -17.154 -6.191 -10.390 469 3HG2 VAL 61 3HG2 VAL 61 -16.965 -7.171 -11.838 470 H VAL 62 H VAL 62 -11.996 -5.716 -10.294 471 HA VAL 62 HA VAL 62 -11.257 -2.980 -10.445 472 HB VAL 62 HB VAL 62 -9.597 -5.371 -11.233 473 1HG1 VAL 62 1HG1 VAL 62 -8.852 -2.518 -10.551 474 2HG1 VAL 62 2HG1 VAL 62 -7.704 -3.852 -10.666 475 3HG1 VAL 62 3HG1 VAL 62 -8.632 -3.374 -12.079 476 1HG2 VAL 62 1HG2 VAL 62 -10.644 -4.966 -8.736 477 2HG2 VAL 62 2HG2 VAL 62 -9.175 -5.798 -9.114 478 3HG2 VAL 62 3HG2 VAL 62 -9.117 -4.115 -8.621 479 H THR 63 H THR 63 -11.824 -1.730 -12.110 480 HA THR 63 HA THR 63 -11.948 -2.875 -14.811 481 HB THR 63 HB THR 63 -13.049 -0.829 -15.442 482 HG1 THR 63 HG1 THR 63 -12.163 0.787 -14.309 483 1HG2 THR 63 1HG2 THR 63 -14.285 -2.638 -14.025 484 2HG2 THR 63 2HG2 THR 63 -14.308 -1.368 -12.794 485 3HG2 THR 63 3HG2 THR 63 -15.039 -1.086 -14.372 486 H SER 64 H SER 64 -10.102 -0.529 -12.925 487 HA SER 64 HA SER 64 -8.475 0.078 -15.306 488 1HB SER 64 1HB SER 64 -9.395 1.969 -13.968 489 2HB SER 64 2HB SER 64 -8.433 1.413 -12.622 490 HG SER 64 HG SER 64 -7.563 2.475 -15.071 491 H VAL 65 H VAL 65 -6.189 0.100 -15.099 492 HA VAL 65 HA VAL 65 -5.175 -2.290 -13.956 493 HB VAL 65 HB VAL 65 -3.416 -0.031 -14.873 494 1HG1 VAL 65 1HG1 VAL 65 -3.195 -2.996 -14.636 495 2HG1 VAL 65 2HG1 VAL 65 -2.179 -2.134 -15.794 496 3HG1 VAL 65 3HG1 VAL 65 -2.103 -1.744 -14.081 497 1HG2 VAL 65 1HG2 VAL 65 -4.893 -1.984 -16.630 498 2HG2 VAL 65 2HG2 VAL 65 -5.145 -0.241 -16.590 499 3HG2 VAL 65 3HG2 VAL 65 -3.622 -0.885 -17.164 500 1HB PRO 66 1HB PRO 66 -3.451 -2.596 -8.679 501 2HB PRO 66 2HB PRO 66 -5.131 -2.241 -9.098 502 1HG PRO 66 1HG PRO 66 -3.217 -4.088 -10.404 503 2HG PRO 66 2HG PRO 66 -4.939 -4.290 -10.082 504 1HD PRO 66 1HD PRO 66 -3.842 -3.529 -12.525 505 2HD PRO 66 2HD PRO 66 -5.525 -3.283 -12.031 506 H HIS 67 H HIS 67 -2.288 0.825 -10.476 507 HA HIS 67 HA HIS 67 0.264 -0.635 -10.322 508 1HB HIS 67 1HB HIS 67 1.160 1.069 -12.007 509 2HB HIS 67 2HB HIS 67 0.050 -0.140 -12.629 510 HD1 HIS 67 HD1 HIS 67 -2.600 0.847 -12.502 511 HD2 HIS 67 HD2 HIS 67 0.540 3.459 -13.069 512 HE1 HIS 67 HE1 HIS 67 -3.649 2.917 -13.426 513 HE2 HIS 67 HE2 HIS 67 -1.718 4.490 -13.791 514 H ILE 68 H ILE 68 1.913 0.384 -9.295 515 HA ILE 68 HA ILE 68 1.516 1.904 -7.121 516 HB ILE 68 HB ILE 68 3.821 1.395 -8.889 517 1HG1 ILE 68 1HG1 ILE 68 3.627 1.535 -5.884 518 2HG1 ILE 68 2HG1 ILE 68 3.218 0.117 -6.828 519 1HG2 ILE 68 1HG2 ILE 68 3.845 3.816 -7.102 520 2HG2 ILE 68 2HG2 ILE 68 5.301 3.039 -7.714 521 3HG2 ILE 68 3HG2 ILE 68 4.154 3.714 -8.831 522 1HD1 ILE 68 1HD1 ILE 68 5.822 0.991 -7.586 523 2HD1 ILE 68 2HD1 ILE 68 5.737 0.852 -5.839 524 3HD1 ILE 68 3HD1 ILE 68 5.322 -0.523 -6.854 525 H THR 69 H THR 69 0.293 3.681 -6.977 526 HA THR 69 HA THR 69 1.135 6.094 -8.399 527 HB THR 69 HB THR 69 -1.605 4.843 -8.724 528 HG1 THR 69 HG1 THR 69 -0.931 4.436 -10.657 529 1HG2 THR 69 1HG2 THR 69 -0.767 7.682 -9.227 530 2HG2 THR 69 2HG2 THR 69 -2.054 6.894 -10.137 531 3HG2 THR 69 3HG2 THR 69 -2.193 7.072 -8.398 No H/Q in entry = 531 Start of MODEL 2 1 H SER 1 H SER 1 19.184 7.795 -4.524 2 HA SER 1 HA SER 1 18.170 5.010 -4.739 3 1HB SER 1 1HB SER 1 17.470 5.279 -2.436 4 2HB SER 1 2HB SER 1 19.074 5.969 -2.629 5 HG SER 1 HG SER 1 16.622 7.451 -2.689 6 H ARG 2 H ARG 2 16.755 5.182 -6.598 7 HA ARG 2 HA ARG 2 13.976 5.972 -6.012 8 1HB ARG 2 1HB ARG 2 15.770 7.448 -7.646 9 2HB ARG 2 2HB ARG 2 14.643 6.693 -8.745 10 1HG ARG 2 1HG ARG 2 12.846 7.847 -7.959 11 2HG ARG 2 2HG ARG 2 13.529 8.055 -6.347 12 1HD ARG 2 1HD ARG 2 14.451 10.003 -6.870 13 2HD ARG 2 2HD ARG 2 15.156 9.389 -8.359 14 HE ARG 2 HE ARG 2 13.488 10.413 -9.492 15 1HH1 ARG 2 1HH1 ARG 2 12.333 9.818 -6.216 16 2HH1 ARG 2 2HH1 ARG 2 10.831 10.598 -6.495 17 1HH2 ARG 2 1HH2 ARG 2 11.489 11.473 -9.807 18 2HH2 ARG 2 2HH2 ARG 2 10.345 11.553 -8.506 19 H ARG 3 H ARG 3 14.377 3.488 -5.817 20 HA ARG 3 HA ARG 3 13.140 2.355 -8.189 21 1HB ARG 3 1HB ARG 3 15.877 1.568 -7.201 22 2HB ARG 3 2HB ARG 3 14.845 0.348 -7.934 23 1HG ARG 3 1HG ARG 3 15.671 2.924 -9.276 24 2HG ARG 3 2HG ARG 3 16.436 1.355 -9.506 25 1HD ARG 3 1HD ARG 3 14.381 0.426 -10.379 26 2HD ARG 3 2HD ARG 3 13.534 1.932 -10.067 27 HE ARG 3 HE ARG 3 15.824 2.195 -11.807 28 1HH1 ARG 3 1HH1 ARG 3 12.360 1.586 -11.638 29 2HH1 ARG 3 2HH1 ARG 3 12.090 2.093 -13.258 30 1HH2 ARG 3 1HH2 ARG 3 15.424 2.848 -13.953 31 2HH2 ARG 3 2HH2 ARG 3 13.808 2.799 -14.578 32 H CYS 4 H CYS 4 11.345 2.101 -6.922 33 HA CYS 4 HA CYS 4 11.424 0.807 -4.391 34 1HB CYS 4 1HB CYS 4 9.074 0.990 -4.348 35 2HB CYS 4 2HB CYS 4 8.959 1.035 -6.106 36 1HB PRO 5 1HB PRO 5 10.828 -4.654 -3.571 37 2HB PRO 5 2HB PRO 5 12.414 -3.900 -3.773 38 1HG PRO 5 1HG PRO 5 10.004 -2.840 -2.392 39 2HG PRO 5 2HG PRO 5 11.689 -2.802 -1.857 40 1HD PRO 5 1HD PRO 5 10.454 -0.664 -2.988 41 2HD PRO 5 2HD PRO 5 12.187 -0.981 -3.183 42 H GLY 6 H GLY 6 10.242 -5.277 -6.140 43 1HA GLY 6 1HA GLY 6 8.264 -6.346 -6.565 44 2HA GLY 6 2HA GLY 6 7.440 -5.162 -5.577 45 H LYS 7 H LYS 7 6.295 -6.150 -7.838 46 HA LYS 7 HA LYS 7 6.735 -4.715 -10.203 47 1HB LYS 7 1HB LYS 7 5.436 -6.795 -9.975 48 2HB LYS 7 2HB LYS 7 4.158 -5.901 -9.196 49 1HG LYS 7 1HG LYS 7 3.597 -4.750 -11.114 50 2HG LYS 7 2HG LYS 7 5.114 -5.136 -11.925 51 1HD LYS 7 1HD LYS 7 3.218 -7.328 -11.102 52 2HD LYS 7 2HD LYS 7 2.906 -6.397 -12.556 53 1HE LYS 7 1HE LYS 7 5.190 -6.948 -13.355 54 2HE LYS 7 2HE LYS 7 5.372 -7.997 -11.943 55 1HZ LYS 7 1HZ LYS 7 3.468 -9.287 -12.734 56 2HZ LYS 7 2HZ LYS 7 3.344 -8.295 -14.103 57 3HZ LYS 7 3HZ LYS 7 4.715 -9.260 -13.872 58 H ASN 8 H ASN 8 5.520 -2.996 -11.184 59 HA ASN 8 HA ASN 8 4.435 -1.059 -9.205 60 1HB ASN 8 1HB ASN 8 6.282 -0.765 -11.537 61 2HB ASN 8 2HB ASN 8 5.150 0.548 -11.227 62 2HD2 ASN 8 2HD2 ASN 8 7.920 -1.178 -10.045 63 1HD2 ASN 8 1HD2 ASN 8 8.316 -0.053 -8.796 64 H ALA 9 H ALA 9 3.501 -3.019 -11.742 65 HA ALA 9 HA ALA 9 0.979 -1.641 -11.978 66 1HB ALA 9 1HB ALA 9 2.796 -2.005 -14.341 67 2HB ALA 9 2HB ALA 9 2.151 -0.492 -13.706 68 3HB ALA 9 3HB ALA 9 1.070 -1.655 -14.475 69 H TRP 10 H TRP 10 -0.557 -3.145 -11.906 70 HA TRP 10 HA TRP 10 0.162 -5.912 -12.671 71 1HB TRP 10 1HB TRP 10 -1.758 -4.832 -10.628 72 2HB TRP 10 2HB TRP 10 -1.741 -6.499 -11.161 73 HD1 TRP 10 HD1 TRP 10 0.033 -8.099 -10.115 74 HE1 TRP 10 HE1 TRP 10 1.885 -7.797 -8.354 75 HE3 TRP 10 HE3 TRP 10 -0.034 -3.019 -9.721 76 HZ2 TRP 10 HZ2 TRP 10 3.152 -5.668 -6.986 77 HZ3 TRP 10 HZ3 TRP 10 1.513 -1.914 -8.172 78 HH2 TRP 10 HH2 TRP 10 3.068 -3.222 -6.816 79 1HB PRO 11 1HB PRO 11 -1.898 -6.042 -17.797 80 2HB PRO 11 2HB PRO 11 -1.507 -4.347 -17.513 81 1HG PRO 11 1HG PRO 11 -0.023 -6.794 -16.659 82 2HG PRO 11 2HG PRO 11 0.607 -5.259 -17.284 83 1HD PRO 11 1HD PRO 11 0.671 -5.867 -14.682 84 2HD PRO 11 2HD PRO 11 0.400 -4.197 -15.239 85 H GLU 12 H GLU 12 -1.604 -7.625 -15.054 86 HA GLU 12 HA GLU 12 -3.717 -9.195 -16.077 87 1HB GLU 12 1HB GLU 12 -1.540 -10.139 -15.629 88 2HB GLU 12 2HB GLU 12 -2.773 -11.005 -14.728 89 1HG GLU 12 1HG GLU 12 -1.981 -9.073 -12.921 90 2HG GLU 12 2HG GLU 12 -1.467 -10.754 -12.969 91 H LEU 13 H LEU 13 -3.716 -7.110 -13.391 92 HA LEU 13 HA LEU 13 -5.572 -8.659 -11.824 93 1HB LEU 13 1HB LEU 13 -4.422 -5.892 -11.578 94 2HB LEU 13 2HB LEU 13 -5.737 -6.417 -10.547 95 HG LEU 13 HG LEU 13 -2.995 -7.665 -10.686 96 1HD1 LEU 13 1HD1 LEU 13 -3.210 -5.443 -9.506 97 2HD1 LEU 13 2HD1 LEU 13 -4.318 -6.215 -8.410 98 3HD1 LEU 13 3HD1 LEU 13 -2.660 -6.772 -8.500 99 1HD2 LEU 13 1HD2 LEU 13 -5.499 -8.479 -9.248 100 2HD2 LEU 13 2HD2 LEU 13 -4.418 -9.434 -10.249 101 3HD2 LEU 13 3HD2 LEU 13 -3.918 -8.906 -8.680 102 H VAL 14 H VAL 14 -5.724 -6.473 -14.438 103 HA VAL 14 HA VAL 14 -8.159 -5.203 -14.039 104 HB VAL 14 HB VAL 14 -7.087 -6.217 -16.678 105 1HG1 VAL 14 1HG1 VAL 14 -9.032 -4.003 -16.027 106 2HG1 VAL 14 2HG1 VAL 14 -8.351 -4.311 -17.623 107 3HG1 VAL 14 3HG1 VAL 14 -9.400 -5.510 -16.867 108 1HG2 VAL 14 1HG2 VAL 14 -5.553 -4.714 -15.172 109 2HG2 VAL 14 2HG2 VAL 14 -5.792 -4.333 -16.870 110 3HG2 VAL 14 3HG2 VAL 14 -6.673 -3.447 -15.633 111 H GLY 15 H GLY 15 -10.030 -6.170 -13.482 112 1HA GLY 15 1HA GLY 15 -11.938 -7.375 -14.371 113 2HA GLY 15 2HA GLY 15 -10.846 -8.611 -14.971 114 H LYS 16 H LYS 16 -9.470 -7.910 -12.136 115 HA LYS 16 HA LYS 16 -10.917 -10.073 -10.772 116 1HB LYS 16 1HB LYS 16 -8.157 -9.119 -10.846 117 2HB LYS 16 2HB LYS 16 -8.709 -9.348 -9.205 118 1HG LYS 16 1HG LYS 16 -9.088 -11.470 -11.308 119 2HG LYS 16 2HG LYS 16 -7.567 -11.275 -10.434 120 1HD LYS 16 1HD LYS 16 -9.178 -11.307 -8.330 121 2HD LYS 16 2HD LYS 16 -10.246 -12.131 -9.444 122 1HE LYS 16 1HE LYS 16 -8.253 -13.663 -9.938 123 2HE LYS 16 2HE LYS 16 -7.529 -12.976 -8.486 124 1HZ LYS 16 1HZ LYS 16 -9.874 -13.655 -7.493 125 2HZ LYS 16 2HZ LYS 16 -9.833 -14.746 -8.781 126 3HZ LYS 16 3HZ LYS 16 -8.605 -14.771 -7.625 127 H SER 17 H SER 17 -11.402 -9.882 -8.484 128 HA SER 17 HA SER 17 -12.880 -7.574 -7.890 129 1HB SER 17 1HB SER 17 -13.385 -8.575 -5.847 130 2HB SER 17 2HB SER 17 -12.997 -9.968 -6.860 131 HG SER 17 HG SER 17 -11.968 -9.981 -4.773 132 H GLY 18 H GLY 18 -12.451 -5.722 -6.737 133 1HA GLY 18 1HA GLY 18 -9.952 -4.585 -6.664 134 2HA GLY 18 2HA GLY 18 -11.260 -4.158 -5.603 135 H ASN 19 H ASN 19 -11.398 -6.749 -4.310 136 HA ASN 19 HA ASN 19 -9.463 -6.303 -2.268 137 1HB ASN 19 1HB ASN 19 -11.827 -7.931 -2.645 138 2HB ASN 19 2HB ASN 19 -10.533 -8.943 -2.019 139 2HD2 ASN 19 2HD2 ASN 19 -10.661 -9.117 0.106 140 1HD2 ASN 19 1HD2 ASN 19 -11.116 -7.852 1.189 141 H MET 20 H MET 20 -9.858 -8.794 -4.766 142 HA MET 20 HA MET 20 -7.522 -10.243 -4.060 143 1HB MET 20 1HB MET 20 -9.590 -10.467 -6.014 144 2HB MET 20 2HB MET 20 -8.080 -10.440 -6.885 145 1HG MET 20 1HG MET 20 -8.189 -12.637 -6.513 146 2HG MET 20 2HG MET 20 -7.376 -12.205 -5.037 147 1HE MET 20 1HE MET 20 -8.287 -12.240 -2.784 148 2HE MET 20 2HE MET 20 -9.590 -11.080 -3.047 149 3HE MET 20 3HE MET 20 -9.935 -12.640 -2.299 150 H ALA 21 H ALA 21 -8.137 -7.458 -6.092 151 HA ALA 21 HA ALA 21 -5.681 -7.386 -7.453 152 1HB ALA 21 1HB ALA 21 -7.752 -5.328 -6.790 153 2HB ALA 21 2HB ALA 21 -6.263 -4.870 -7.619 154 3HB ALA 21 3HB ALA 21 -7.349 -6.045 -8.342 155 H ALA 22 H ALA 22 -6.766 -5.465 -4.639 156 HA ALA 22 HA ALA 22 -4.303 -4.320 -4.054 157 1HB ALA 22 1HB ALA 22 -6.429 -5.071 -2.051 158 2HB ALA 22 2HB ALA 22 -6.469 -3.627 -3.059 159 3HB ALA 22 3HB ALA 22 -5.190 -3.830 -1.859 160 H ALA 23 H ALA 23 -5.681 -7.387 -2.990 161 HA ALA 23 HA ALA 23 -3.668 -8.101 -1.163 162 1HB ALA 23 1HB ALA 23 -5.342 -9.930 -2.891 163 2HB ALA 23 2HB ALA 23 -4.479 -10.379 -1.420 164 3HB ALA 23 3HB ALA 23 -5.832 -9.247 -1.342 165 H THR 24 H THR 24 -3.997 -8.770 -4.647 166 HA THR 24 HA THR 24 -1.685 -10.318 -4.958 167 HB THR 24 HB THR 24 -2.947 -8.401 -6.929 168 HG1 THR 24 HG1 THR 24 -4.497 -9.839 -6.601 169 1HG2 THR 24 1HG2 THR 24 -1.100 -10.727 -7.385 170 2HG2 THR 24 2HG2 THR 24 -2.034 -9.934 -8.644 171 3HG2 THR 24 3HG2 THR 24 -0.798 -9.037 -7.772 172 H VAL 25 H VAL 25 -2.143 -6.806 -5.123 173 HA VAL 25 HA VAL 25 0.509 -6.179 -5.876 174 HB VAL 25 HB VAL 25 -1.332 -4.426 -4.235 175 1HG1 VAL 25 1HG1 VAL 25 1.296 -4.056 -5.329 176 2HG1 VAL 25 2HG1 VAL 25 0.173 -2.940 -6.096 177 3HG1 VAL 25 3HG1 VAL 25 0.330 -2.975 -4.353 178 1HG2 VAL 25 1HG2 VAL 25 -1.453 -5.252 -7.084 179 2HG2 VAL 25 2HG2 VAL 25 -2.716 -4.730 -5.980 180 3HG2 VAL 25 3HG2 VAL 25 -1.702 -3.539 -6.753 181 H GLU 26 H GLU 26 -1.065 -6.161 -2.672 182 HA GLU 26 HA GLU 26 1.273 -5.498 -1.232 183 1HB GLU 26 1HB GLU 26 -1.275 -6.884 -0.415 184 2HB GLU 26 2HB GLU 26 -0.031 -6.407 0.734 185 1HG GLU 26 1HG GLU 26 -0.579 -4.248 0.675 186 2HG GLU 26 2HG GLU 26 -0.866 -4.254 -1.063 187 H ARG 27 H ARG 27 0.061 -8.567 -2.442 188 HA ARG 27 HA ARG 27 1.824 -10.142 -0.784 189 1HB ARG 27 1HB ARG 27 -0.385 -10.658 -2.551 190 2HB ARG 27 2HB ARG 27 0.962 -11.621 -3.084 191 1HG ARG 27 1HG ARG 27 0.816 -11.849 -0.240 192 2HG ARG 27 2HG ARG 27 -0.807 -12.041 -0.902 193 1HD ARG 27 1HD ARG 27 1.612 -13.543 -1.891 194 2HD ARG 27 2HD ARG 27 0.470 -14.139 -0.684 195 HE ARG 27 HE ARG 27 -0.703 -13.312 -3.215 196 1HH1 ARG 27 1HH1 ARG 27 0.618 -15.995 -1.356 197 2HH1 ARG 27 2HH1 ARG 27 -0.207 -17.177 -2.293 198 1HH2 ARG 27 1HH2 ARG 27 -1.778 -14.902 -4.425 199 2HH2 ARG 27 2HH2 ARG 27 -1.559 -16.575 -4.028 200 H GLU 28 H GLU 28 1.674 -9.494 -4.295 201 HA GLU 28 HA GLU 28 4.192 -10.659 -4.856 202 1HB GLU 28 1HB GLU 28 4.030 -9.529 -7.016 203 2HB GLU 28 2HB GLU 28 2.714 -8.523 -6.412 204 1HG GLU 28 1HG GLU 28 2.488 -11.512 -6.420 205 2HG GLU 28 2HG GLU 28 1.213 -10.311 -6.373 206 H ASN 29 H ASN 29 3.195 -7.408 -3.941 207 HA ASN 29 HA ASN 29 6.046 -6.632 -3.756 208 1HB ASN 29 1HB ASN 29 4.874 -5.443 -5.573 209 2HB ASN 29 2HB ASN 29 3.684 -4.850 -4.414 210 2HD2 ASN 29 2HD2 ASN 29 5.433 -3.297 -6.094 211 1HD2 ASN 29 1HD2 ASN 29 6.409 -2.351 -5.028 212 H ARG 30 H ARG 30 5.912 -7.529 -1.613 213 HA ARG 30 HA ARG 30 4.154 -6.623 0.379 214 1HB ARG 30 1HB ARG 30 6.038 -8.536 0.261 215 2HB ARG 30 2HB ARG 30 6.937 -7.343 1.169 216 1HG ARG 30 1HG ARG 30 5.799 -7.723 3.031 217 2HG ARG 30 2HG ARG 30 4.237 -7.695 2.222 218 1HD ARG 30 1HD ARG 30 5.681 -10.100 1.493 219 2HD ARG 30 2HD ARG 30 5.650 -9.907 3.237 220 HE ARG 30 HE ARG 30 3.493 -10.664 1.601 221 1HH1 ARG 30 1HH1 ARG 30 4.227 -8.711 4.443 222 2HH1 ARG 30 2HH1 ARG 30 2.635 -8.878 5.075 223 1HH2 ARG 30 1HH2 ARG 30 1.396 -10.866 2.505 224 2HH2 ARG 30 2HH2 ARG 30 1.047 -10.093 4.013 225 H ASN 31 H ASN 31 6.374 -4.716 -1.244 226 HA ASN 31 HA ASN 31 7.086 -3.124 1.091 227 1HB ASN 31 1HB ASN 31 8.780 -3.628 -0.629 228 2HB ASN 31 2HB ASN 31 7.823 -2.753 -1.816 229 2HD2 ASN 31 2HD2 ASN 31 9.986 -2.500 0.857 230 1HD2 ASN 31 1HD2 ASN 31 10.168 -0.778 0.797 231 H VAL 32 H VAL 32 4.463 -3.281 -1.006 232 HA VAL 32 HA VAL 32 3.769 -0.490 -0.391 233 HB VAL 32 HB VAL 32 2.986 -0.067 -2.611 234 1HG1 VAL 32 1HG1 VAL 32 5.376 0.365 -2.174 235 2HG1 VAL 32 2HG1 VAL 32 5.763 -1.265 -2.725 236 3HG1 VAL 32 3HG1 VAL 32 5.103 -0.104 -3.840 237 1HG2 VAL 32 1HG2 VAL 32 3.486 -2.972 -3.011 238 2HG2 VAL 32 2HG2 VAL 32 2.142 -1.970 -3.530 239 3HG2 VAL 32 3HG2 VAL 32 3.673 -1.900 -4.395 240 H HIS 33 H HIS 33 1.432 -0.035 -0.874 241 HA HIS 33 HA HIS 33 -0.242 -2.421 -0.544 242 1HB HIS 33 1HB HIS 33 -1.637 -0.724 1.021 243 2HB HIS 33 2HB HIS 33 -0.458 -1.876 1.625 244 HD1 HIS 33 HD1 HIS 33 1.439 -0.957 2.937 245 HD2 HIS 33 HD2 HIS 33 -0.569 1.978 0.793 246 HE1 HIS 33 HE1 HIS 33 2.432 1.223 3.692 247 HE2 HIS 33 HE2 HIS 33 1.246 2.987 2.335 248 H ALA 34 H ALA 34 -2.328 -2.319 -1.384 249 HA ALA 34 HA ALA 34 -2.735 -0.042 -3.222 250 1HB ALA 34 1HB ALA 34 -4.375 -2.372 -3.739 251 2HB ALA 34 2HB ALA 34 -2.659 -2.747 -3.777 252 3HB ALA 34 3HB ALA 34 -3.310 -1.482 -4.811 253 H ILE 35 H ILE 35 -4.592 1.095 -3.225 254 HA ILE 35 HA ILE 35 -6.502 0.527 -1.038 255 HB ILE 35 HB ILE 35 -6.085 3.114 -2.556 256 1HG1 ILE 35 1HG1 ILE 35 -5.020 2.139 0.104 257 2HG1 ILE 35 2HG1 ILE 35 -5.139 3.854 -0.289 258 1HG2 ILE 35 1HG2 ILE 35 -7.757 2.415 -0.139 259 2HG2 ILE 35 2HG2 ILE 35 -7.425 4.066 -0.675 260 3HG2 ILE 35 3HG2 ILE 35 -8.321 2.969 -1.717 261 1HD1 ILE 35 1HD1 ILE 35 -3.785 3.095 -2.434 262 2HD1 ILE 35 2HD1 ILE 35 -3.019 3.474 -0.893 263 3HD1 ILE 35 3HD1 ILE 35 -3.288 1.804 -1.340 264 H VAL 36 H VAL 36 -8.408 -0.308 -1.614 265 HA VAL 36 HA VAL 36 -9.185 -0.404 -4.384 266 HB VAL 36 HB VAL 36 -9.504 -2.275 -2.709 267 1HG1 VAL 36 1HG1 VAL 36 -10.505 -0.727 -0.959 268 2HG1 VAL 36 2HG1 VAL 36 -12.000 -0.792 -1.894 269 3HG1 VAL 36 3HG1 VAL 36 -11.313 -2.265 -1.217 270 1HG2 VAL 36 1HG2 VAL 36 -11.886 -1.369 -4.314 271 2HG2 VAL 36 2HG2 VAL 36 -10.530 -2.324 -4.892 272 3HG2 VAL 36 3HG2 VAL 36 -11.633 -3.002 -3.705 273 H LEU 37 H LEU 37 -10.564 0.855 -5.423 274 HA LEU 37 HA LEU 37 -12.658 2.320 -4.056 275 1HB LEU 37 1HB LEU 37 -11.765 4.465 -5.278 276 2HB LEU 37 2HB LEU 37 -11.249 4.030 -3.674 277 HG LEU 37 HG LEU 37 -9.297 2.791 -5.091 278 1HD1 LEU 37 1HD1 LEU 37 -10.133 5.141 -6.783 279 2HD1 LEU 37 2HD1 LEU 37 -8.601 4.266 -6.921 280 3HD1 LEU 37 3HD1 LEU 37 -10.123 3.437 -7.237 281 1HD2 LEU 37 1HD2 LEU 37 -9.566 5.278 -3.627 282 2HD2 LEU 37 2HD2 LEU 37 -8.241 4.127 -3.693 283 3HD2 LEU 37 3HD2 LEU 37 -8.372 5.401 -4.906 284 H LYS 38 H LYS 38 -14.211 3.201 -5.518 285 HA LYS 38 HA LYS 38 -14.217 1.795 -8.066 286 1HB LYS 38 1HB LYS 38 -16.312 3.276 -6.517 287 2HB LYS 38 2HB LYS 38 -16.586 2.811 -8.184 288 1HG LYS 38 1HG LYS 38 -15.977 0.452 -7.435 289 2HG LYS 38 2HG LYS 38 -17.541 1.097 -7.039 290 1HD LYS 38 1HD LYS 38 -15.374 0.257 -5.268 291 2HD LYS 38 2HD LYS 38 -15.934 1.870 -4.885 292 1HE LYS 38 1HE LYS 38 -17.569 0.922 -3.742 293 2HE LYS 38 2HE LYS 38 -18.298 0.450 -5.266 294 1HZ LYS 38 1HZ LYS 38 -16.968 -1.629 -5.135 295 2HZ LYS 38 2HZ LYS 38 -16.464 -1.166 -3.587 296 3HZ LYS 38 3HZ LYS 38 -18.099 -1.456 -3.891 297 H GLU 39 H GLU 39 -14.743 2.772 -10.066 298 HA GLU 39 HA GLU 39 -13.186 4.899 -10.826 299 1HB GLU 39 1HB GLU 39 -14.202 3.400 -12.431 300 2HB GLU 39 2HB GLU 39 -14.601 5.060 -12.838 301 1HG GLU 39 1HG GLU 39 -16.335 2.884 -12.501 302 2HG GLU 39 2HG GLU 39 -16.632 3.904 -11.100 303 H GLY 40 H GLY 40 -13.177 6.967 -10.226 304 1HA GLY 40 1HA GLY 40 -14.294 9.093 -10.359 305 2HA GLY 40 2HA GLY 40 -15.785 8.332 -9.840 306 H SER 41 H SER 41 -13.407 6.946 -7.997 307 HA SER 41 HA SER 41 -14.203 8.356 -5.652 308 1HB SER 41 1HB SER 41 -13.590 6.007 -5.533 309 2HB SER 41 2HB SER 41 -11.970 6.372 -6.135 310 HG SER 41 HG SER 41 -13.111 6.965 -3.627 311 H ALA 42 H ALA 42 -12.042 8.792 -4.126 312 HA ALA 42 HA ALA 42 -10.859 11.156 -5.363 313 1HB ALA 42 1HB ALA 42 -9.927 11.466 -3.015 314 2HB ALA 42 2HB ALA 42 -10.938 10.101 -2.546 315 3HB ALA 42 3HB ALA 42 -11.680 11.563 -3.206 316 H MET 43 H MET 43 -9.187 10.673 -6.637 317 HA MET 43 HA MET 43 -7.063 8.948 -5.537 318 1HB MET 43 1HB MET 43 -6.685 8.527 -8.143 319 2HB MET 43 2HB MET 43 -7.713 7.524 -7.138 320 1HG MET 43 1HG MET 43 -9.615 8.173 -8.115 321 2HG MET 43 2HG MET 43 -9.077 9.827 -8.387 322 1HE MET 43 1HE MET 43 -8.191 10.782 -10.252 323 2HE MET 43 2HE MET 43 -6.641 9.949 -10.405 324 3HE MET 43 3HE MET 43 -7.731 10.014 -11.777 325 H THR 44 H THR 44 -5.627 10.449 -4.919 326 HA THR 44 HA THR 44 -5.116 12.860 -6.234 327 HB THR 44 HB THR 44 -2.817 12.655 -5.040 328 HG1 THR 44 HG1 THR 44 -3.351 10.211 -4.848 329 1HG2 THR 44 1HG2 THR 44 -5.322 12.491 -3.381 330 2HG2 THR 44 2HG2 THR 44 -3.744 13.073 -2.844 331 3HG2 THR 44 3HG2 THR 44 -4.631 13.949 -4.087 332 H LYS 45 H LYS 45 -3.500 13.495 -7.669 333 HA LYS 45 HA LYS 45 -2.808 11.471 -9.622 334 1HB LYS 45 1HB LYS 45 -2.621 14.452 -9.440 335 2HB LYS 45 2HB LYS 45 -1.603 13.624 -10.611 336 1HG LYS 45 1HG LYS 45 -3.475 12.695 -11.725 337 2HG LYS 45 2HG LYS 45 -4.588 13.266 -10.477 338 1HD LYS 45 1HD LYS 45 -4.353 15.502 -11.112 339 2HD LYS 45 2HD LYS 45 -2.879 15.192 -12.034 340 1HE LYS 45 1HE LYS 45 -4.446 13.659 -13.476 341 2HE LYS 45 2HE LYS 45 -5.724 14.644 -12.761 342 1HZ LYS 45 1HZ LYS 45 -3.399 15.678 -14.301 343 2HZ LYS 45 2HZ LYS 45 -4.982 15.524 -14.882 344 3HZ LYS 45 3HZ LYS 45 -4.643 16.621 -13.637 345 H ASP 46 H ASP 46 -1.231 13.136 -7.006 346 HA ASP 46 HA ASP 46 1.411 13.033 -7.679 347 1HB ASP 46 1HB ASP 46 0.020 13.522 -5.353 348 2HB ASP 46 2HB ASP 46 0.882 12.048 -4.930 349 H PHE 47 H PHE 47 3.129 11.493 -7.021 350 HA PHE 47 HA PHE 47 2.255 8.739 -7.623 351 1HB PHE 47 1HB PHE 47 3.819 9.613 -9.210 352 2HB PHE 47 2HB PHE 47 4.927 10.102 -7.931 353 HD1 PHE 47 HD1 PHE 47 6.186 8.411 -6.669 354 HD2 PHE 47 HD2 PHE 47 3.697 7.338 -9.954 355 HE1 PHE 47 HE1 PHE 47 7.267 6.224 -6.767 356 HE2 PHE 47 HE2 PHE 47 4.784 5.141 -10.058 357 HZ PHE 47 HZ PHE 47 6.564 4.566 -8.451 358 H ARG 48 H ARG 48 2.647 7.069 -6.285 359 HA ARG 48 HA ARG 48 4.488 7.325 -4.046 360 1HB ARG 48 1HB ARG 48 1.515 7.349 -3.752 361 2HB ARG 48 2HB ARG 48 2.429 6.391 -2.596 362 1HG ARG 48 1HG ARG 48 3.634 8.291 -1.838 363 2HG ARG 48 2HG ARG 48 2.990 9.297 -3.136 364 1HD ARG 48 1HD ARG 48 0.737 8.992 -2.206 365 2HD ARG 48 2HD ARG 48 1.843 9.799 -1.120 366 HE ARG 48 HE ARG 48 1.584 6.920 -0.760 367 1HH1 ARG 48 1HH1 ARG 48 0.483 10.101 0.266 368 2HH1 ARG 48 2HH1 ARG 48 -0.082 9.519 1.782 369 1HH2 ARG 48 1HH2 ARG 48 0.818 6.190 1.247 370 2HH2 ARG 48 2HH2 ARG 48 0.094 7.321 2.340 371 H CYS 49 H CYS 49 5.634 5.521 -4.235 372 HA CYS 49 HA CYS 49 4.864 3.225 -5.610 373 1HB CYS 49 1HB CYS 49 6.989 3.740 -3.563 374 2HB CYS 49 2HB CYS 49 6.775 2.133 -4.267 375 H ASP 50 H ASP 50 4.595 4.014 -2.196 376 HA ASP 50 HA ASP 50 3.683 1.398 -1.463 377 1HB ASP 50 1HB ASP 50 3.326 2.343 0.741 378 2HB ASP 50 2HB ASP 50 4.913 2.765 0.115 379 H ARG 51 H ARG 51 2.161 3.844 -3.135 380 HA ARG 51 HA ARG 51 -0.458 3.031 -2.082 381 1HB ARG 51 1HB ARG 51 0.251 5.425 -1.678 382 2HB ARG 51 2HB ARG 51 0.164 5.664 -3.419 383 1HG ARG 51 1HG ARG 51 -2.259 4.788 -3.204 384 2HG ARG 51 2HG ARG 51 -2.030 5.064 -1.475 385 1HD ARG 51 1HD ARG 51 -3.038 7.012 -2.291 386 2HD ARG 51 2HD ARG 51 -1.339 7.399 -2.044 387 HE ARG 51 HE ARG 51 -2.204 6.583 -4.736 388 1HH1 ARG 51 1HH1 ARG 51 -1.247 9.200 -2.586 389 2HH1 ARG 51 2HH1 ARG 51 -0.918 10.285 -3.880 390 1HH2 ARG 51 1HH2 ARG 51 -1.809 8.073 -6.424 391 2HH2 ARG 51 2HH2 ARG 51 -1.223 9.658 -6.041 392 H VAL 52 H VAL 52 -1.372 1.673 -3.447 393 HA VAL 52 HA VAL 52 -1.099 2.172 -6.356 394 HB VAL 52 HB VAL 52 -1.616 -0.410 -4.896 395 1HG1 VAL 52 1HG1 VAL 52 -1.672 0.242 -7.823 396 2HG1 VAL 52 2HG1 VAL 52 -1.442 -1.396 -7.225 397 3HG1 VAL 52 3HG1 VAL 52 -2.929 -0.529 -6.857 398 1HG2 VAL 52 1HG2 VAL 52 0.784 0.802 -5.367 399 2HG2 VAL 52 2HG2 VAL 52 0.529 -0.908 -5.113 400 3HG2 VAL 52 3HG2 VAL 52 0.625 -0.279 -6.749 401 H TRP 53 H TRP 53 -2.875 3.039 -7.225 402 HA TRP 53 HA TRP 53 -5.386 3.006 -5.814 403 1HB TRP 53 1HB TRP 53 -4.514 4.123 -8.472 404 2HB TRP 53 2HB TRP 53 -6.199 4.162 -7.986 405 HD1 TRP 53 HD1 TRP 53 -4.018 6.660 -8.474 406 HE1 TRP 53 HE1 TRP 53 -4.023 8.518 -6.689 407 HE3 TRP 53 HE3 TRP 53 -6.225 4.104 -4.654 408 HZ2 TRP 53 HZ2 TRP 53 -4.840 8.826 -4.001 409 HZ3 TRP 53 HZ3 TRP 53 -6.575 5.234 -2.515 410 HH2 TRP 53 HH2 TRP 53 -5.905 7.562 -2.197 411 H VAL 54 H VAL 54 -7.046 1.619 -6.057 412 HA VAL 54 HA VAL 54 -6.938 -0.228 -8.375 413 HB VAL 54 HB VAL 54 -7.693 -0.692 -5.511 414 1HG1 VAL 54 1HG1 VAL 54 -8.686 -2.177 -7.914 415 2HG1 VAL 54 2HG1 VAL 54 -8.519 -2.977 -6.352 416 3HG1 VAL 54 3HG1 VAL 54 -9.597 -1.601 -6.530 417 1HG2 VAL 54 1HG2 VAL 54 -5.377 -1.137 -6.283 418 2HG2 VAL 54 2HG2 VAL 54 -6.214 -2.572 -5.688 419 3HG2 VAL 54 3HG2 VAL 54 -6.041 -2.311 -7.421 420 H ILE 55 H ILE 55 -8.284 0.763 -9.777 421 HA ILE 55 HA ILE 55 -10.783 1.917 -8.897 422 HB ILE 55 HB ILE 55 -9.992 1.520 -11.747 423 1HG1 ILE 55 1HG1 ILE 55 -8.107 2.635 -10.505 424 2HG1 ILE 55 2HG1 ILE 55 -8.868 3.654 -11.708 425 1HG2 ILE 55 1HG2 ILE 55 -11.819 3.415 -10.320 426 2HG2 ILE 55 2HG2 ILE 55 -11.328 3.636 -12.000 427 3HG2 ILE 55 3HG2 ILE 55 -12.231 2.200 -11.523 428 1HD1 ILE 55 1HD1 ILE 55 -10.174 4.040 -9.181 429 2HD1 ILE 55 2HD1 ILE 55 -8.432 4.249 -9.038 430 3HD1 ILE 55 3HD1 ILE 55 -9.338 5.184 -10.220 431 H VAL 56 H VAL 56 -12.617 0.821 -8.703 432 HA VAL 56 HA VAL 56 -13.006 -1.580 -10.341 433 HB VAL 56 HB VAL 56 -14.160 -2.648 -8.498 434 1HG1 VAL 56 1HG1 VAL 56 -11.333 -1.768 -8.052 435 2HG1 VAL 56 2HG1 VAL 56 -12.149 -2.789 -6.877 436 3HG1 VAL 56 3HG1 VAL 56 -11.965 -3.334 -8.515 437 1HG2 VAL 56 1HG2 VAL 56 -13.796 -0.020 -7.187 438 2HG2 VAL 56 2HG2 VAL 56 -15.113 -1.179 -7.096 439 3HG2 VAL 56 3HG2 VAL 56 -13.650 -1.442 -6.173 440 H ASN 57 H ASN 57 -15.331 -2.269 -10.404 441 HA ASN 57 HA ASN 57 -16.930 0.083 -11.107 442 1HB ASN 57 1HB ASN 57 -18.411 -1.496 -12.228 443 2HB ASN 57 2HB ASN 57 -16.741 -1.776 -12.700 444 2HD2 ASN 57 2HD2 ASN 57 -17.706 -3.858 -13.383 445 1HD2 ASN 57 1HD2 ASN 57 -17.825 -5.108 -12.207 446 H ASP 58 H ASP 58 -19.483 -0.709 -10.773 447 HA ASP 58 HA ASP 58 -19.969 -0.122 -8.079 448 1HB ASP 58 1HB ASP 58 -21.560 -0.684 -10.477 449 2HB ASP 58 2HB ASP 58 -22.331 -1.295 -9.022 450 H HIS 59 H HIS 59 -19.284 -3.152 -9.564 451 HA HIS 59 HA HIS 59 -20.446 -4.644 -7.335 452 1HB HIS 59 1HB HIS 59 -19.684 -5.266 -10.131 453 2HB HIS 59 2HB HIS 59 -19.348 -6.539 -8.967 454 HD1 HIS 59 HD1 HIS 59 -21.239 -8.031 -8.422 455 HD2 HIS 59 HD2 HIS 59 -22.521 -4.415 -10.011 456 HE1 HIS 59 HE1 HIS 59 -23.730 -8.255 -8.672 457 HE2 HIS 59 HE2 HIS 59 -24.493 -6.038 -9.604 458 H GLY 60 H GLY 60 -17.563 -3.110 -7.933 459 1HA GLY 60 1HA GLY 60 -15.703 -3.184 -6.572 460 2HA GLY 60 2HA GLY 60 -16.230 -4.726 -5.919 461 H VAL 61 H VAL 61 -16.106 -4.237 -9.363 462 HA VAL 61 HA VAL 61 -13.964 -6.230 -9.547 463 HB VAL 61 HB VAL 61 -15.650 -5.109 -11.786 464 1HG1 VAL 61 1HG1 VAL 61 -13.592 -6.166 -12.512 465 2HG1 VAL 61 2HG1 VAL 61 -14.002 -7.610 -11.580 466 3HG1 VAL 61 3HG1 VAL 61 -14.992 -7.133 -12.960 467 1HG2 VAL 61 1HG2 VAL 61 -16.131 -7.551 -10.092 468 2HG2 VAL 61 2HG2 VAL 61 -17.152 -6.116 -10.173 469 3HG2 VAL 61 3HG2 VAL 61 -17.005 -7.168 -11.576 470 H VAL 62 H VAL 62 -11.964 -5.705 -10.255 471 HA VAL 62 HA VAL 62 -11.241 -2.960 -10.488 472 HB VAL 62 HB VAL 62 -9.560 -5.367 -11.188 473 1HG1 VAL 62 1HG1 VAL 62 -8.663 -3.280 -12.091 474 2HG1 VAL 62 2HG1 VAL 62 -8.770 -2.531 -10.497 475 3HG1 VAL 62 3HG1 VAL 62 -7.681 -3.884 -10.774 476 1HG2 VAL 62 1HG2 VAL 62 -10.626 -4.859 -8.714 477 2HG2 VAL 62 2HG2 VAL 62 -9.139 -5.705 -9.032 478 3HG2 VAL 62 3HG2 VAL 62 -9.101 -4.011 -8.632 479 H THR 63 H THR 63 -11.665 -1.738 -12.209 480 HA THR 63 HA THR 63 -11.773 -2.969 -14.882 481 HB THR 63 HB THR 63 -12.886 -0.953 -15.591 482 HG1 THR 63 HG1 THR 63 -12.134 0.739 -14.535 483 1HG2 THR 63 1HG2 THR 63 -14.217 -2.674 -14.300 484 2HG2 THR 63 2HG2 THR 63 -14.099 -1.581 -12.921 485 3HG2 THR 63 3HG2 THR 63 -14.898 -1.050 -14.405 486 H SER 64 H SER 64 -9.983 -0.588 -12.988 487 HA SER 64 HA SER 64 -8.353 0.095 -15.331 488 1HB SER 64 1HB SER 64 -9.300 1.850 -13.742 489 2HB SER 64 2HB SER 64 -8.103 1.288 -12.574 490 HG SER 64 HG SER 64 -6.485 1.918 -13.946 491 H VAL 65 H VAL 65 -6.124 -0.088 -15.321 492 HA VAL 65 HA VAL 65 -5.088 -2.470 -14.203 493 HB VAL 65 HB VAL 65 -3.484 -0.198 -15.371 494 1HG1 VAL 65 1HG1 VAL 65 -2.866 -2.936 -14.501 495 2HG1 VAL 65 2HG1 VAL 65 -2.278 -2.527 -16.115 496 3HG1 VAL 65 3HG1 VAL 65 -1.829 -1.539 -14.738 497 1HG2 VAL 65 1HG2 VAL 65 -4.903 -2.455 -16.766 498 2HG2 VAL 65 2HG2 VAL 65 -5.228 -0.746 -16.939 499 3HG2 VAL 65 3HG2 VAL 65 -3.715 -1.414 -17.516 500 1HB PRO 66 1HB PRO 66 -4.384 -2.222 -8.742 501 2HB PRO 66 2HB PRO 66 -3.116 -3.174 -9.498 502 1HG PRO 66 1HG PRO 66 -4.893 -4.416 -10.198 503 2HG PRO 66 2HG PRO 66 -6.009 -3.078 -10.070 504 1HD PRO 66 1HD PRO 66 -5.824 -3.116 -12.349 505 2HD PRO 66 2HD PRO 66 -4.211 -3.805 -12.311 506 H HIS 67 H HIS 67 -2.423 0.787 -10.536 507 HA HIS 67 HA HIS 67 0.228 -0.485 -10.601 508 1HB HIS 67 1HB HIS 67 1.014 1.238 -12.183 509 2HB HIS 67 2HB HIS 67 -0.254 0.226 -12.875 510 HD1 HIS 67 HD1 HIS 67 -0.030 2.672 -14.364 511 HD2 HIS 67 HD2 HIS 67 -2.199 2.611 -10.825 512 HE1 HIS 67 HE1 HIS 67 -1.574 4.654 -14.469 513 HE2 HIS 67 HE2 HIS 67 -2.947 4.516 -12.368 514 H ILE 68 H ILE 68 1.863 0.552 -9.583 515 HA ILE 68 HA ILE 68 1.399 1.920 -7.273 516 HB ILE 68 HB ILE 68 3.723 1.266 -8.915 517 1HG1 ILE 68 1HG1 ILE 68 3.448 1.730 -5.966 518 2HG1 ILE 68 2HG1 ILE 68 3.054 0.229 -6.757 519 1HG2 ILE 68 1HG2 ILE 68 3.804 3.915 -7.489 520 2HG2 ILE 68 2HG2 ILE 68 5.245 2.971 -7.795 521 3HG2 ILE 68 3HG2 ILE 68 4.270 3.484 -9.133 522 1HD1 ILE 68 1HD1 ILE 68 5.811 1.465 -6.742 523 2HD1 ILE 68 2HD1 ILE 68 5.240 0.178 -5.705 524 3HD1 ILE 68 3HD1 ILE 68 5.329 -0.090 -7.416 525 H THR 69 H THR 69 0.320 3.746 -7.046 526 HA THR 69 HA THR 69 1.269 6.185 -8.295 527 HB THR 69 HB THR 69 -1.424 5.004 -8.964 528 HG1 THR 69 HG1 THR 69 0.023 4.567 -10.541 529 1HG2 THR 69 1HG2 THR 69 -0.607 7.883 -9.115 530 2HG2 THR 69 2HG2 THR 69 -1.872 7.185 -10.125 531 3HG2 THR 69 3HG2 THR 69 -2.042 7.203 -8.388 No H/Q in entry = 531 Start of MODEL 3 1 H SER 1 H SER 1 17.578 8.228 -12.240 2 HA SER 1 HA SER 1 17.379 6.185 -11.117 3 1HB SER 1 1HB SER 1 16.700 6.132 -8.803 4 2HB SER 1 2HB SER 1 17.599 7.607 -9.135 5 HG SER 1 HG SER 1 15.461 8.632 -9.431 6 H ARG 2 H ARG 2 14.101 6.815 -10.059 7 HA ARG 2 HA ARG 2 12.075 5.864 -10.406 8 1HB ARG 2 1HB ARG 2 13.135 5.618 -13.227 9 2HB ARG 2 2HB ARG 2 11.441 5.513 -12.754 10 1HG ARG 2 1HG ARG 2 12.254 7.942 -11.684 11 2HG ARG 2 2HG ARG 2 13.139 7.838 -13.207 12 1HD ARG 2 1HD ARG 2 11.137 8.882 -13.777 13 2HD ARG 2 2HD ARG 2 10.898 7.203 -14.263 14 HE ARG 2 HE ARG 2 9.961 7.709 -11.599 15 1HH1 ARG 2 1HH1 ARG 2 9.113 8.047 -14.996 16 2HH1 ARG 2 2HH1 ARG 2 7.420 8.032 -14.682 17 1HH2 ARG 2 1HH2 ARG 2 7.714 7.694 -11.218 18 2HH2 ARG 2 2HH2 ARG 2 6.619 7.837 -12.554 19 H ARG 3 H ARG 3 12.653 4.052 -9.060 20 HA ARG 3 HA ARG 3 12.038 1.571 -10.249 21 1HB ARG 3 1HB ARG 3 14.723 2.190 -10.610 22 2HB ARG 3 2HB ARG 3 14.762 1.219 -9.163 23 1HG ARG 3 1HG ARG 3 14.884 -0.486 -10.574 24 2HG ARG 3 2HG ARG 3 13.133 -0.313 -10.687 25 1HD ARG 3 1HD ARG 3 13.477 1.205 -12.607 26 2HD ARG 3 2HD ARG 3 15.200 0.855 -12.551 27 HE ARG 3 HE ARG 3 14.235 -1.599 -12.773 28 1HH1 ARG 3 1HH1 ARG 3 13.285 1.315 -14.514 29 2HH1 ARG 3 2HH1 ARG 3 12.788 0.440 -15.907 30 1HH2 ARG 3 1HH2 ARG 3 13.575 -2.715 -14.644 31 2HH2 ARG 3 2HH2 ARG 3 12.954 -1.830 -15.997 32 H CYS 4 H CYS 4 10.607 1.269 -8.608 33 HA CYS 4 HA CYS 4 11.663 1.287 -5.867 34 1HB CYS 4 1HB CYS 4 9.357 1.504 -5.117 35 2HB CYS 4 2HB CYS 4 8.791 1.396 -6.786 36 1HB PRO 5 1HB PRO 5 9.994 -2.613 -2.883 37 2HB PRO 5 2HB PRO 5 11.487 -3.490 -3.147 38 1HG PRO 5 1HG PRO 5 11.490 -1.089 -1.990 39 2HG PRO 5 2HG PRO 5 12.774 -1.575 -3.113 40 1HD PRO 5 1HD PRO 5 12.124 0.350 -4.173 41 2HD PRO 5 2HD PRO 5 10.461 0.261 -3.557 42 H GLY 6 H GLY 6 10.106 -4.855 -5.570 43 1HA GLY 6 1HA GLY 6 8.176 -5.977 -6.022 44 2HA GLY 6 2HA GLY 6 7.301 -4.702 -5.232 45 H LYS 7 H LYS 7 6.069 -5.792 -7.281 46 HA LYS 7 HA LYS 7 6.700 -4.668 -9.824 47 1HB LYS 7 1HB LYS 7 5.466 -6.731 -9.471 48 2HB LYS 7 2HB LYS 7 4.103 -5.849 -8.840 49 1HG LYS 7 1HG LYS 7 3.655 -4.828 -10.895 50 2HG LYS 7 2HG LYS 7 5.194 -5.321 -11.588 51 1HD LYS 7 1HD LYS 7 2.635 -6.723 -11.454 52 2HD LYS 7 2HD LYS 7 4.004 -6.968 -12.534 53 1HE LYS 7 1HE LYS 7 5.138 -8.271 -10.794 54 2HE LYS 7 2HE LYS 7 3.756 -8.039 -9.716 55 1HZ LYS 7 1HZ LYS 7 2.374 -9.210 -11.332 56 2HZ LYS 7 2HZ LYS 7 3.734 -9.481 -12.306 57 3HZ LYS 7 3HZ LYS 7 3.647 -10.171 -10.766 58 H ASN 8 H ASN 8 5.641 -2.981 -10.960 59 HA ASN 8 HA ASN 8 4.408 -0.954 -9.182 60 1HB ASN 8 1HB ASN 8 5.312 0.723 -10.614 61 2HB ASN 8 2HB ASN 8 5.799 -0.472 -11.817 62 2HD2 ASN 8 2HD2 ASN 8 7.942 0.260 -11.728 63 1HD2 ASN 8 1HD2 ASN 8 8.963 -0.134 -10.391 64 H ALA 9 H ALA 9 3.443 -3.133 -11.459 65 HA ALA 9 HA ALA 9 0.965 -1.762 -11.897 66 1HB ALA 9 1HB ALA 9 2.691 -2.397 -14.285 67 2HB ALA 9 2HB ALA 9 1.049 -1.751 -14.316 68 3HB ALA 9 3HB ALA 9 2.365 -0.782 -13.658 69 H TRP 10 H TRP 10 -0.601 -3.268 -11.793 70 HA TRP 10 HA TRP 10 0.138 -6.066 -12.454 71 1HB TRP 10 1HB TRP 10 -1.823 -4.982 -10.446 72 2HB TRP 10 2HB TRP 10 -1.728 -6.671 -10.913 73 HD1 TRP 10 HD1 TRP 10 0.053 -8.141 -9.740 74 HE1 TRP 10 HE1 TRP 10 1.836 -7.704 -7.945 75 HE3 TRP 10 HE3 TRP 10 -0.141 -3.051 -9.598 76 HZ2 TRP 10 HZ2 TRP 10 2.998 -5.496 -6.645 77 HZ3 TRP 10 HZ3 TRP 10 1.322 -1.837 -8.051 78 HH2 TRP 10 HH2 TRP 10 2.861 -3.040 -6.587 79 1HB PRO 11 1HB PRO 11 -1.830 -6.153 -17.559 80 2HB PRO 11 2HB PRO 11 -1.557 -4.422 -17.362 81 1HG PRO 11 1HG PRO 11 0.093 -6.712 -16.412 82 2HG PRO 11 2HG PRO 11 0.606 -5.140 -17.052 83 1HD PRO 11 1HD PRO 11 0.700 -5.686 -14.457 84 2HD PRO 11 2HD PRO 11 0.257 -4.064 -15.027 85 H GLU 12 H GLU 12 -1.681 -7.660 -14.781 86 HA GLU 12 HA GLU 12 -3.766 -9.215 -15.869 87 1HB GLU 12 1HB GLU 12 -1.622 -10.172 -15.279 88 2HB GLU 12 2HB GLU 12 -2.923 -11.011 -14.446 89 1HG GLU 12 1HG GLU 12 -2.206 -9.059 -12.624 90 2HG GLU 12 2HG GLU 12 -1.735 -10.753 -12.606 91 H LEU 13 H LEU 13 -3.876 -7.057 -13.254 92 HA LEU 13 HA LEU 13 -5.837 -8.533 -11.742 93 1HB LEU 13 1HB LEU 13 -4.608 -5.819 -11.483 94 2HB LEU 13 2HB LEU 13 -5.990 -6.250 -10.514 95 HG LEU 13 HG LEU 13 -3.263 -7.527 -10.466 96 1HD1 LEU 13 1HD1 LEU 13 -4.827 -5.874 -8.518 97 2HD1 LEU 13 2HD1 LEU 13 -3.453 -6.838 -8.033 98 3HD1 LEU 13 3HD1 LEU 13 -3.263 -5.542 -9.185 99 1HD2 LEU 13 1HD2 LEU 13 -5.864 -8.455 -9.321 100 2HD2 LEU 13 2HD2 LEU 13 -4.636 -9.360 -10.198 101 3HD2 LEU 13 3HD2 LEU 13 -4.332 -8.856 -8.550 102 H VAL 14 H VAL 14 -5.818 -6.412 -14.410 103 HA VAL 14 HA VAL 14 -8.250 -5.081 -14.123 104 HB VAL 14 HB VAL 14 -7.065 -6.143 -16.703 105 1HG1 VAL 14 1HG1 VAL 14 -9.061 -3.941 -16.161 106 2HG1 VAL 14 2HG1 VAL 14 -8.283 -4.228 -17.718 107 3HG1 VAL 14 3HG1 VAL 14 -9.350 -5.445 -17.035 108 1HG2 VAL 14 1HG2 VAL 14 -5.522 -4.698 -15.283 109 2HG2 VAL 14 2HG2 VAL 14 -5.870 -4.128 -16.899 110 3HG2 VAL 14 3HG2 VAL 14 -6.683 -3.400 -15.517 111 H GLY 15 H GLY 15 -10.187 -5.984 -13.703 112 1HA GLY 15 1HA GLY 15 -12.068 -7.180 -14.566 113 2HA GLY 15 2HA GLY 15 -10.991 -8.387 -15.243 114 H LYS 16 H LYS 16 -9.541 -7.943 -12.431 115 HA LYS 16 HA LYS 16 -10.956 -10.165 -11.183 116 1HB LYS 16 1HB LYS 16 -8.403 -9.903 -11.454 117 2HB LYS 16 2HB LYS 16 -8.488 -8.814 -10.090 118 1HG LYS 16 1HG LYS 16 -9.019 -10.457 -8.604 119 2HG LYS 16 2HG LYS 16 -9.776 -11.495 -9.813 120 1HD LYS 16 1HD LYS 16 -6.803 -10.939 -9.685 121 2HD LYS 16 2HD LYS 16 -7.573 -12.312 -8.908 122 1HE LYS 16 1HE LYS 16 -7.215 -13.398 -10.813 123 2HE LYS 16 2HE LYS 16 -8.570 -12.485 -11.468 124 1HZ LYS 16 1HZ LYS 16 -5.747 -11.550 -11.582 125 2HZ LYS 16 2HZ LYS 16 -6.503 -12.424 -12.813 126 3HZ LYS 16 3HZ LYS 16 -7.078 -10.898 -12.392 127 H SER 17 H SER 17 -11.373 -10.098 -8.820 128 HA SER 17 HA SER 17 -12.990 -7.881 -8.159 129 1HB SER 17 1HB SER 17 -13.554 -9.027 -6.240 130 2HB SER 17 2HB SER 17 -12.978 -10.361 -7.235 131 HG SER 17 HG SER 17 -12.095 -10.352 -5.100 132 H GLY 18 H GLY 18 -12.623 -6.068 -6.941 133 1HA GLY 18 1HA GLY 18 -10.101 -4.949 -6.780 134 2HA GLY 18 2HA GLY 18 -11.468 -4.465 -5.791 135 H ASN 19 H ASN 19 -11.690 -7.120 -4.513 136 HA ASN 19 HA ASN 19 -9.943 -6.613 -2.333 137 1HB ASN 19 1HB ASN 19 -12.279 -7.771 -2.371 138 2HB ASN 19 2HB ASN 19 -11.384 -9.240 -2.747 139 2HD2 ASN 19 2HD2 ASN 19 -12.321 -9.970 -0.701 140 1HD2 ASN 19 1HD2 ASN 19 -11.512 -9.555 0.767 141 H MET 20 H MET 20 -10.125 -9.300 -4.662 142 HA MET 20 HA MET 20 -7.788 -10.603 -3.779 143 1HB MET 20 1HB MET 20 -9.719 -10.943 -5.835 144 2HB MET 20 2HB MET 20 -8.161 -10.996 -6.620 145 1HG MET 20 1HG MET 20 -7.568 -12.937 -5.671 146 2HG MET 20 2HG MET 20 -8.408 -12.613 -4.156 147 1HE MET 20 1HE MET 20 -9.146 -13.067 -7.950 148 2HE MET 20 2HE MET 20 -10.757 -13.757 -7.943 149 3HE MET 20 3HE MET 20 -10.514 -12.086 -7.444 150 H ALA 21 H ALA 21 -8.322 -8.115 -6.228 151 HA ALA 21 HA ALA 21 -5.743 -8.049 -7.284 152 1HB ALA 21 1HB ALA 21 -8.091 -6.304 -7.325 153 2HB ALA 21 2HB ALA 21 -6.567 -5.455 -7.531 154 3HB ALA 21 3HB ALA 21 -6.999 -6.761 -8.624 155 H ALA 22 H ALA 22 -7.177 -6.095 -4.700 156 HA ALA 22 HA ALA 22 -4.917 -4.589 -4.059 157 1HB ALA 22 1HB ALA 22 -7.036 -5.587 -2.149 158 2HB ALA 22 2HB ALA 22 -7.153 -4.141 -3.150 159 3HB ALA 22 3HB ALA 22 -5.936 -4.233 -1.877 160 H ALA 23 H ALA 23 -5.962 -7.756 -2.817 161 HA ALA 23 HA ALA 23 -3.849 -8.120 -0.991 162 1HB ALA 23 1HB ALA 23 -5.888 -9.464 -0.957 163 2HB ALA 23 2HB ALA 23 -4.454 -10.484 -1.039 164 3HB ALA 23 3HB ALA 23 -5.430 -10.215 -2.485 165 H THR 24 H THR 24 -4.168 -8.854 -4.435 166 HA THR 24 HA THR 24 -1.828 -10.361 -4.758 167 HB THR 24 HB THR 24 -3.079 -8.472 -6.761 168 HG1 THR 24 HG1 THR 24 -4.698 -9.798 -6.545 169 1HG2 THR 24 1HG2 THR 24 -0.877 -9.338 -7.447 170 2HG2 THR 24 2HG2 THR 24 -1.499 -10.975 -7.243 171 3HG2 THR 24 3HG2 THR 24 -2.202 -9.911 -8.456 172 H VAL 25 H VAL 25 -2.377 -6.860 -4.991 173 HA VAL 25 HA VAL 25 0.278 -6.196 -5.724 174 HB VAL 25 HB VAL 25 -1.688 -4.446 -4.229 175 1HG1 VAL 25 1HG1 VAL 25 1.005 -3.993 -5.109 176 2HG1 VAL 25 2HG1 VAL 25 -0.097 -2.977 -6.029 177 3HG1 VAL 25 3HG1 VAL 25 -0.101 -2.916 -4.285 178 1HG2 VAL 25 1HG2 VAL 25 -1.402 -5.045 -7.164 179 2HG2 VAL 25 2HG2 VAL 25 -2.828 -5.153 -6.152 180 3HG2 VAL 25 3HG2 VAL 25 -2.184 -3.583 -6.567 181 H GLU 26 H GLU 26 -1.352 -6.130 -2.551 182 HA GLU 26 HA GLU 26 0.922 -5.281 -1.093 183 1HB GLU 26 1HB GLU 26 -0.280 -5.769 0.856 184 2HB GLU 26 2HB GLU 26 -1.258 -7.006 0.072 185 1HG GLU 26 1HG GLU 26 -1.623 -4.423 -1.215 186 2HG GLU 26 2HG GLU 26 -2.790 -5.562 -0.549 187 H ARG 27 H ARG 27 -0.152 -8.461 -2.132 188 HA ARG 27 HA ARG 27 1.735 -9.862 -0.450 189 1HB ARG 27 1HB ARG 27 -0.261 -10.627 -2.540 190 2HB ARG 27 2HB ARG 27 1.028 -11.752 -2.191 191 1HG ARG 27 1HG ARG 27 -0.137 -10.802 0.278 192 2HG ARG 27 2HG ARG 27 -1.380 -11.424 -0.809 193 1HD ARG 27 1HD ARG 27 1.153 -12.916 -0.158 194 2HD ARG 27 2HD ARG 27 -0.351 -13.105 0.744 195 HE ARG 27 HE ARG 27 -1.097 -13.525 -1.845 196 1HH1 ARG 27 1HH1 ARG 27 1.326 -14.947 0.271 197 2HH1 ARG 27 2HH1 ARG 27 1.259 -16.480 -0.509 198 1HH2 ARG 27 1HH2 ARG 27 -1.166 -15.566 -2.850 199 2HH2 ARG 27 2HH2 ARG 27 -0.150 -16.844 -2.270 200 H GLU 28 H GLU 28 1.440 -9.425 -3.992 201 HA GLU 28 HA GLU 28 3.968 -10.548 -4.577 202 1HB GLU 28 1HB GLU 28 2.138 -8.706 -6.103 203 2HB GLU 28 2HB GLU 28 3.689 -9.199 -6.763 204 1HG GLU 28 1HG GLU 28 2.970 -11.573 -6.483 205 2HG GLU 28 2HG GLU 28 1.374 -10.976 -6.032 206 H ASN 29 H ASN 29 2.982 -7.339 -3.588 207 HA ASN 29 HA ASN 29 5.821 -6.515 -3.651 208 1HB ASN 29 1HB ASN 29 4.578 -5.352 -5.399 209 2HB ASN 29 2HB ASN 29 3.405 -4.781 -4.222 210 2HD2 ASN 29 2HD2 ASN 29 5.047 -3.190 -5.966 211 1HD2 ASN 29 1HD2 ASN 29 6.063 -2.231 -4.954 212 H ARG 30 H ARG 30 5.853 -7.369 -1.483 213 HA ARG 30 HA ARG 30 4.220 -6.332 0.590 214 1HB ARG 30 1HB ARG 30 6.552 -8.080 0.358 215 2HB ARG 30 2HB ARG 30 6.642 -7.068 1.788 216 1HG ARG 30 1HG ARG 30 4.597 -7.888 2.634 217 2HG ARG 30 2HG ARG 30 4.220 -8.718 1.120 218 1HD ARG 30 1HD ARG 30 5.829 -10.339 1.464 219 2HD ARG 30 2HD ARG 30 6.719 -9.387 2.636 220 HE ARG 30 HE ARG 30 4.844 -9.728 4.196 221 1HH1 ARG 30 1HH1 ARG 30 5.304 -12.032 1.568 222 2HH1 ARG 30 2HH1 ARG 30 4.502 -13.300 2.405 223 1HH2 ARG 30 1HH2 ARG 30 3.789 -11.441 5.267 224 2HH2 ARG 30 2HH2 ARG 30 3.652 -12.984 4.493 225 H ASN 31 H ASN 31 6.435 -4.657 -1.263 226 HA ASN 31 HA ASN 31 7.423 -2.990 0.907 227 1HB ASN 31 1HB ASN 31 8.914 -3.702 -0.943 228 2HB ASN 31 2HB ASN 31 7.923 -2.791 -2.075 229 2HD2 ASN 31 2HD2 ASN 31 8.174 -0.597 -2.211 230 1HD2 ASN 31 1HD2 ASN 31 9.353 0.274 -1.301 231 H VAL 32 H VAL 32 4.702 -3.127 -1.108 232 HA VAL 32 HA VAL 32 4.060 -0.329 -0.466 233 HB VAL 32 HB VAL 32 3.358 0.210 -2.640 234 1HG1 VAL 32 1HG1 VAL 32 5.930 -1.352 -2.895 235 2HG1 VAL 32 2HG1 VAL 32 5.355 -0.202 -4.057 236 3HG1 VAL 32 3HG1 VAL 32 5.772 0.333 -2.444 237 1HG2 VAL 32 1HG2 VAL 32 3.412 -2.723 -3.151 238 2HG2 VAL 32 2HG2 VAL 32 2.161 -1.541 -3.473 239 3HG2 VAL 32 3HG2 VAL 32 3.578 -1.600 -4.504 240 H HIS 33 H HIS 33 1.685 0.108 -0.929 241 HA HIS 33 HA HIS 33 0.057 -2.325 -0.556 242 1HB HIS 33 1HB HIS 33 -1.103 -1.479 1.301 243 2HB HIS 33 2HB HIS 33 0.580 -1.163 1.654 244 HD1 HIS 33 HD1 HIS 33 -1.658 0.396 3.052 245 HD2 HIS 33 HD2 HIS 33 0.258 1.689 -0.371 246 HE1 HIS 33 HE1 HIS 33 -1.940 2.894 3.022 247 HE2 HIS 33 HE2 HIS 33 -0.840 3.642 0.883 248 H ALA 34 H ALA 34 -2.106 -2.185 -1.207 249 HA ALA 34 HA ALA 34 -2.611 0.037 -3.076 250 1HB ALA 34 1HB ALA 34 -3.786 -2.722 -3.305 251 2HB ALA 34 2HB ALA 34 -2.248 -2.268 -4.035 252 3HB ALA 34 3HB ALA 34 -3.723 -1.439 -4.513 253 H ILE 35 H ILE 35 -4.501 1.115 -3.006 254 HA ILE 35 HA ILE 35 -6.345 0.448 -0.797 255 HB ILE 35 HB ILE 35 -6.158 3.046 -2.299 256 1HG1 ILE 35 1HG1 ILE 35 -5.121 3.633 0.136 257 2HG1 ILE 35 2HG1 ILE 35 -4.546 1.979 -0.034 258 1HG2 ILE 35 1HG2 ILE 35 -7.483 2.284 0.291 259 2HG2 ILE 35 2HG2 ILE 35 -7.360 3.926 -0.333 260 3HG2 ILE 35 3HG2 ILE 35 -8.281 2.720 -1.222 261 1HD1 ILE 35 1HD1 ILE 35 -3.862 3.008 -2.453 262 2HD1 ILE 35 2HD1 ILE 35 -3.750 4.424 -1.414 263 3HD1 ILE 35 3HD1 ILE 35 -2.824 2.978 -1.030 264 H VAL 36 H VAL 36 -8.372 -0.211 -1.265 265 HA VAL 36 HA VAL 36 -9.132 -0.509 -4.033 266 HB VAL 36 HB VAL 36 -10.667 -1.169 -1.522 267 1HG1 VAL 36 1HG1 VAL 36 -11.176 -1.846 -4.420 268 2HG1 VAL 36 2HG1 VAL 36 -11.962 -2.662 -3.068 269 3HG1 VAL 36 3HG1 VAL 36 -12.221 -0.940 -3.324 270 1HG2 VAL 36 1HG2 VAL 36 -8.985 -2.908 -3.328 271 2HG2 VAL 36 2HG2 VAL 36 -8.596 -2.429 -1.674 272 3HG2 VAL 36 3HG2 VAL 36 -9.975 -3.482 -1.983 273 H LEU 37 H LEU 37 -10.363 0.791 -5.189 274 HA LEU 37 HA LEU 37 -12.285 2.594 -3.928 275 1HB LEU 37 1HB LEU 37 -11.252 4.435 -5.463 276 2HB LEU 37 2HB LEU 37 -10.618 4.139 -3.871 277 HG LEU 37 HG LEU 37 -8.963 2.523 -5.214 278 1HD1 LEU 37 1HD1 LEU 37 -10.068 2.907 -7.357 279 2HD1 LEU 37 2HD1 LEU 37 -9.683 4.604 -7.267 280 3HD1 LEU 37 3HD1 LEU 37 -8.397 3.400 -7.374 281 1HD2 LEU 37 1HD2 LEU 37 -8.775 5.502 -4.911 282 2HD2 LEU 37 2HD2 LEU 37 -8.116 4.231 -3.878 283 3HD2 LEU 37 3HD2 LEU 37 -7.473 4.485 -5.505 284 H LYS 38 H LYS 38 -13.941 3.173 -5.314 285 HA LYS 38 HA LYS 38 -14.095 1.629 -7.768 286 1HB LYS 38 1HB LYS 38 -15.967 1.483 -6.273 287 2HB LYS 38 2HB LYS 38 -16.460 2.222 -7.788 288 1HG LYS 38 1HG LYS 38 -15.711 4.364 -6.094 289 2HG LYS 38 2HG LYS 38 -17.303 3.926 -6.692 290 1HD LYS 38 1HD LYS 38 -17.845 3.689 -4.554 291 2HD LYS 38 2HD LYS 38 -17.046 2.127 -4.652 292 1HE LYS 38 1HE LYS 38 -15.240 4.409 -4.089 293 2HE LYS 38 2HE LYS 38 -16.467 4.101 -2.871 294 1HZ LYS 38 1HZ LYS 38 -14.772 1.905 -3.904 295 2HZ LYS 38 2HZ LYS 38 -14.273 2.904 -2.636 296 3HZ LYS 38 3HZ LYS 38 -15.675 1.977 -2.475 297 H GLU 39 H GLU 39 -14.850 2.552 -9.759 298 HA GLU 39 HA GLU 39 -13.385 4.629 -10.733 299 1HB GLU 39 1HB GLU 39 -15.113 2.925 -11.849 300 2HB GLU 39 2HB GLU 39 -16.158 4.334 -11.838 301 1HG GLU 39 1HG GLU 39 -13.453 4.879 -12.865 302 2HG GLU 39 2HG GLU 39 -14.323 3.642 -13.764 303 H GLY 40 H GLY 40 -13.303 6.753 -10.320 304 1HA GLY 40 1HA GLY 40 -14.281 8.896 -10.266 305 2HA GLY 40 2HA GLY 40 -15.808 8.205 -9.748 306 H SER 41 H SER 41 -13.309 6.766 -8.013 307 HA SER 41 HA SER 41 -14.099 8.055 -5.595 308 1HB SER 41 1HB SER 41 -13.412 5.776 -5.443 309 2HB SER 41 2HB SER 41 -11.897 6.117 -6.280 310 HG SER 41 HG SER 41 -12.030 5.961 -3.797 311 H ALA 42 H ALA 42 -12.102 8.680 -4.070 312 HA ALA 42 HA ALA 42 -10.888 11.023 -5.338 313 1HB ALA 42 1HB ALA 42 -10.310 11.706 -3.087 314 2HB ALA 42 2HB ALA 42 -10.863 10.157 -2.443 315 3HB ALA 42 3HB ALA 42 -12.016 11.272 -3.172 316 H MET 43 H MET 43 -9.160 10.421 -6.495 317 HA MET 43 HA MET 43 -7.061 8.852 -5.125 318 1HB MET 43 1HB MET 43 -6.548 8.158 -7.620 319 2HB MET 43 2HB MET 43 -7.716 7.296 -6.630 320 1HG MET 43 1HG MET 43 -9.453 8.918 -7.712 321 2HG MET 43 2HG MET 43 -8.182 9.190 -8.894 322 1HE MET 43 1HE MET 43 -6.730 6.813 -9.236 323 2HE MET 43 2HE MET 43 -7.428 5.484 -8.319 324 3HE MET 43 3HE MET 43 -7.571 5.522 -10.068 325 H THR 44 H THR 44 -5.608 10.342 -4.616 326 HA THR 44 HA THR 44 -5.119 12.722 -5.976 327 HB THR 44 HB THR 44 -2.663 12.191 -4.885 328 HG1 THR 44 HG1 THR 44 -3.180 10.989 -2.930 329 1HG2 THR 44 1HG2 THR 44 -4.117 14.060 -4.258 330 2HG2 THR 44 2HG2 THR 44 -5.075 12.959 -3.265 331 3HG2 THR 44 3HG2 THR 44 -3.382 13.259 -2.869 332 H LYS 45 H LYS 45 -3.446 13.364 -7.384 333 HA LYS 45 HA LYS 45 -2.818 11.337 -9.372 334 1HB LYS 45 1HB LYS 45 -2.682 14.318 -9.231 335 2HB LYS 45 2HB LYS 45 -1.710 13.495 -10.439 336 1HG LYS 45 1HG LYS 45 -4.479 12.543 -10.402 337 2HG LYS 45 2HG LYS 45 -4.352 14.279 -10.662 338 1HD LYS 45 1HD LYS 45 -4.335 13.073 -12.775 339 2HD LYS 45 2HD LYS 45 -2.805 13.913 -12.515 340 1HE LYS 45 1HE LYS 45 -1.792 11.796 -11.754 341 2HE LYS 45 2HE LYS 45 -2.426 11.685 -13.389 342 1HZ LYS 45 1HZ LYS 45 -4.456 10.656 -12.434 343 2HZ LYS 45 2HZ LYS 45 -3.053 9.741 -12.234 344 3HZ LYS 45 3HZ LYS 45 -3.685 10.604 -10.935 345 H ASP 46 H ASP 46 -1.227 13.111 -6.853 346 HA ASP 46 HA ASP 46 1.404 13.073 -7.561 347 1HB ASP 46 1HB ASP 46 0.260 12.381 -4.841 348 2HB ASP 46 2HB ASP 46 1.930 12.859 -5.146 349 H PHE 47 H PHE 47 2.999 11.598 -7.802 350 HA PHE 47 HA PHE 47 2.239 8.817 -7.978 351 1HB PHE 47 1HB PHE 47 3.650 9.672 -9.695 352 2HB PHE 47 2HB PHE 47 4.809 10.294 -8.527 353 HD1 PHE 47 HD1 PHE 47 6.395 8.830 -7.434 354 HD2 PHE 47 HD2 PHE 47 3.545 7.294 -10.205 355 HE1 PHE 47 HE1 PHE 47 7.642 6.732 -7.551 356 HE2 PHE 47 HE2 PHE 47 4.800 5.199 -10.332 357 HZ PHE 47 HZ PHE 47 6.835 4.892 -9.004 358 H ARG 48 H ARG 48 2.654 7.219 -6.576 359 HA ARG 48 HA ARG 48 4.700 7.530 -4.502 360 1HB ARG 48 1HB ARG 48 1.900 6.745 -3.719 361 2HB ARG 48 2HB ARG 48 3.265 7.101 -2.673 362 1HG ARG 48 1HG ARG 48 3.044 9.466 -3.893 363 2HG ARG 48 2HG ARG 48 1.383 8.914 -4.079 364 1HD ARG 48 1HD ARG 48 1.525 10.180 -2.100 365 2HD ARG 48 2HD ARG 48 2.978 9.333 -1.564 366 HE ARG 48 HE ARG 48 1.170 7.338 -1.691 367 1HH1 ARG 48 1HH1 ARG 48 1.051 10.504 -0.179 368 2HH1 ARG 48 2HH1 ARG 48 -0.001 9.974 1.074 369 1HH2 ARG 48 1HH2 ARG 48 -0.205 6.664 -0.018 370 2HH2 ARG 48 2HH2 ARG 48 -0.718 7.809 1.175 371 H CYS 49 H CYS 49 5.898 5.767 -4.798 372 HA CYS 49 HA CYS 49 5.059 3.434 -6.061 373 1HB CYS 49 1HB CYS 49 7.392 3.949 -4.238 374 2HB CYS 49 2HB CYS 49 7.169 2.421 -5.083 375 H ASP 50 H ASP 50 5.064 4.307 -2.674 376 HA ASP 50 HA ASP 50 4.454 1.657 -1.767 377 1HB ASP 50 1HB ASP 50 5.673 3.150 -0.328 378 2HB ASP 50 2HB ASP 50 4.158 2.667 0.427 379 H ARG 51 H ARG 51 2.587 3.821 -3.437 380 HA ARG 51 HA ARG 51 0.142 2.826 -2.152 381 1HB ARG 51 1HB ARG 51 0.654 5.264 -1.759 382 2HB ARG 51 2HB ARG 51 0.450 5.506 -3.487 383 1HG ARG 51 1HG ARG 51 -1.880 4.506 -3.197 384 2HG ARG 51 2HG ARG 51 -1.573 4.665 -1.466 385 1HD ARG 51 1HD ARG 51 -1.079 7.071 -1.874 386 2HD ARG 51 2HD ARG 51 -2.747 6.600 -2.087 387 HE ARG 51 HE ARG 51 -1.864 6.411 -4.588 388 1HH1 ARG 51 1HH1 ARG 51 -1.394 8.970 -2.212 389 2HH1 ARG 51 2HH1 ARG 51 -1.249 10.192 -3.413 390 1HH2 ARG 51 1HH2 ARG 51 -1.707 8.077 -6.138 391 2HH2 ARG 51 2HH2 ARG 51 -1.405 9.695 -5.631 392 H VAL 52 H VAL 52 -1.223 1.791 -3.431 393 HA VAL 52 HA VAL 52 -1.020 2.198 -6.358 394 HB VAL 52 HB VAL 52 -1.464 -0.457 -4.989 395 1HG1 VAL 52 1HG1 VAL 52 -1.381 0.358 -7.872 396 2HG1 VAL 52 2HG1 VAL 52 -1.135 -1.304 -7.365 397 3HG1 VAL 52 3HG1 VAL 52 -2.653 -0.488 -7.023 398 1HG2 VAL 52 1HG2 VAL 52 0.939 0.573 -6.457 399 2HG2 VAL 52 2HG2 VAL 52 0.839 0.241 -4.737 400 3HG2 VAL 52 3HG2 VAL 52 0.733 -1.067 -5.901 401 H TRP 53 H TRP 53 -2.882 3.042 -7.060 402 HA TRP 53 HA TRP 53 -5.301 2.844 -5.503 403 1HB TRP 53 1HB TRP 53 -4.716 4.054 -8.209 404 2HB TRP 53 2HB TRP 53 -6.313 4.065 -7.493 405 HD1 TRP 53 HD1 TRP 53 -4.156 6.564 -8.210 406 HE1 TRP 53 HE1 TRP 53 -3.953 8.398 -6.414 407 HE3 TRP 53 HE3 TRP 53 -5.977 3.986 -4.217 408 HZ2 TRP 53 HZ2 TRP 53 -4.492 8.683 -3.656 409 HZ3 TRP 53 HZ3 TRP 53 -6.130 5.109 -2.048 410 HH2 TRP 53 HH2 TRP 53 -5.387 7.407 -1.763 411 H VAL 54 H VAL 54 -7.004 1.500 -5.798 412 HA VAL 54 HA VAL 54 -6.856 -0.365 -8.102 413 HB VAL 54 HB VAL 54 -7.771 -0.783 -5.267 414 1HG1 VAL 54 1HG1 VAL 54 -8.475 -2.349 -7.716 415 2HG1 VAL 54 2HG1 VAL 54 -8.351 -3.143 -6.147 416 3HG1 VAL 54 3HG1 VAL 54 -9.512 -1.845 -6.381 417 1HG2 VAL 54 1HG2 VAL 54 -5.403 -1.110 -5.723 418 2HG2 VAL 54 2HG2 VAL 54 -6.193 -2.629 -5.310 419 3HG2 VAL 54 3HG2 VAL 54 -5.805 -2.264 -6.992 420 H ILE 55 H ILE 55 -8.153 0.702 -9.521 421 HA ILE 55 HA ILE 55 -10.682 1.830 -8.703 422 HB ILE 55 HB ILE 55 -9.638 1.564 -11.497 423 1HG1 ILE 55 1HG1 ILE 55 -9.125 3.632 -9.382 424 2HG1 ILE 55 2HG1 ILE 55 -9.163 4.106 -11.056 425 1HG2 ILE 55 1HG2 ILE 55 -11.798 3.263 -10.287 426 2HG2 ILE 55 2HG2 ILE 55 -11.171 3.469 -11.921 427 3HG2 ILE 55 3HG2 ILE 55 -11.990 1.977 -11.477 428 1HD1 ILE 55 1HD1 ILE 55 -7.479 1.901 -11.026 429 2HD1 ILE 55 2HD1 ILE 55 -7.041 3.597 -11.157 430 3HD1 ILE 55 3HD1 ILE 55 -7.077 2.817 -9.582 431 H VAL 56 H VAL 56 -12.502 0.728 -8.576 432 HA VAL 56 HA VAL 56 -12.881 -1.585 -10.339 433 HB VAL 56 HB VAL 56 -14.178 -2.670 -8.551 434 1HG1 VAL 56 1HG1 VAL 56 -11.335 -1.976 -7.830 435 2HG1 VAL 56 2HG1 VAL 56 -12.278 -3.256 -7.091 436 3HG1 VAL 56 3HG1 VAL 56 -11.888 -3.341 -8.784 437 1HG2 VAL 56 1HG2 VAL 56 -13.185 -0.401 -6.833 438 2HG2 VAL 56 2HG2 VAL 56 -14.859 -0.685 -7.306 439 3HG2 VAL 56 3HG2 VAL 56 -14.039 -1.827 -6.253 440 H ASN 57 H ASN 57 -15.162 -2.167 -10.682 441 HA ASN 57 HA ASN 57 -16.701 0.254 -11.207 442 1HB ASN 57 1HB ASN 57 -16.510 -1.472 -12.937 443 2HB ASN 57 2HB ASN 57 -18.184 -1.204 -12.482 444 2HD2 ASN 57 2HD2 ASN 57 -17.312 -3.494 -13.804 445 1HD2 ASN 57 1HD2 ASN 57 -17.520 -4.837 -12.738 446 H ASP 58 H ASP 58 -19.229 -0.213 -10.953 447 HA ASP 58 HA ASP 58 -19.804 0.040 -8.244 448 1HB ASP 58 1HB ASP 58 -21.541 -0.686 -10.606 449 2HB ASP 58 2HB ASP 58 -22.210 -0.462 -8.991 450 H HIS 59 H HIS 59 -19.307 -2.849 -10.085 451 HA HIS 59 HA HIS 59 -20.687 -4.537 -8.174 452 1HB HIS 59 1HB HIS 59 -19.818 -4.779 -10.905 453 2HB HIS 59 2HB HIS 59 -19.078 -6.073 -9.977 454 HD1 HIS 59 HD1 HIS 59 -20.844 -7.543 -8.521 455 HD2 HIS 59 HD2 HIS 59 -22.389 -5.250 -11.621 456 HE1 HIS 59 HE1 HIS 59 -23.130 -8.490 -8.984 457 HE2 HIS 59 HE2 HIS 59 -24.064 -7.057 -10.833 458 H GLY 60 H GLY 60 -17.458 -3.374 -8.770 459 1HA GLY 60 1HA GLY 60 -15.895 -3.447 -6.967 460 2HA GLY 60 2HA GLY 60 -16.503 -5.027 -6.510 461 H VAL 61 H VAL 61 -16.033 -4.322 -9.885 462 HA VAL 61 HA VAL 61 -13.818 -6.243 -9.956 463 HB VAL 61 HB VAL 61 -15.425 -5.124 -12.256 464 1HG1 VAL 61 1HG1 VAL 61 -13.543 -7.450 -12.084 465 2HG1 VAL 61 2HG1 VAL 61 -14.494 -7.020 -13.502 466 3HG1 VAL 61 3HG1 VAL 61 -13.231 -5.936 -12.925 467 1HG2 VAL 61 1HG2 VAL 61 -15.762 -7.718 -10.756 468 2HG2 VAL 61 2HG2 VAL 61 -16.904 -6.375 -10.805 469 3HG2 VAL 61 3HG2 VAL 61 -16.580 -7.309 -12.264 470 H VAL 62 H VAL 62 -11.805 -5.678 -10.736 471 HA VAL 62 HA VAL 62 -11.145 -2.902 -10.676 472 HB VAL 62 HB VAL 62 -9.400 -5.192 -11.583 473 1HG1 VAL 62 1HG1 VAL 62 -8.864 -2.307 -10.920 474 2HG1 VAL 62 2HG1 VAL 62 -7.619 -3.536 -10.710 475 3HG1 VAL 62 3HG1 VAL 62 -8.333 -3.274 -12.297 476 1HG2 VAL 62 1HG2 VAL 62 -10.442 -5.225 -9.172 477 2HG2 VAL 62 2HG2 VAL 62 -8.742 -5.533 -9.420 478 3HG2 VAL 62 3HG2 VAL 62 -9.273 -3.957 -8.861 479 H THR 63 H THR 63 -11.632 -1.548 -12.285 480 HA THR 63 HA THR 63 -11.822 -2.541 -15.033 481 HB THR 63 HB THR 63 -12.772 -0.337 -15.531 482 HG1 THR 63 HG1 THR 63 -12.815 1.247 -14.088 483 1HG2 THR 63 1HG2 THR 63 -14.300 -2.053 -14.750 484 2HG2 THR 63 2HG2 THR 63 -14.020 -1.554 -13.082 485 3HG2 THR 63 3HG2 THR 63 -14.799 -0.449 -14.215 486 H SER 64 H SER 64 -9.769 -0.461 -13.061 487 HA SER 64 HA SER 64 -8.173 0.181 -15.464 488 1HB SER 64 1HB SER 64 -8.944 2.135 -14.231 489 2HB SER 64 2HB SER 64 -8.220 1.505 -12.768 490 HG SER 64 HG SER 64 -6.232 1.912 -13.532 491 H VAL 65 H VAL 65 -5.956 -0.058 -15.421 492 HA VAL 65 HA VAL 65 -4.992 -2.414 -14.221 493 HB VAL 65 HB VAL 65 -3.295 -0.206 -15.367 494 1HG1 VAL 65 1HG1 VAL 65 -2.774 -2.925 -14.419 495 2HG1 VAL 65 2HG1 VAL 65 -2.171 -2.620 -16.052 496 3HG1 VAL 65 3HG1 VAL 65 -1.681 -1.586 -14.717 497 1HG2 VAL 65 1HG2 VAL 65 -4.704 -2.443 -16.794 498 2HG2 VAL 65 2HG2 VAL 65 -5.038 -0.732 -16.968 499 3HG2 VAL 65 3HG2 VAL 65 -3.506 -1.388 -17.507 500 1HB PRO 66 1HB PRO 66 -3.442 -2.629 -8.932 501 2HB PRO 66 2HB PRO 66 -5.102 -2.051 -9.062 502 1HG PRO 66 1HG PRO 66 -3.687 -4.078 -10.727 503 2HG PRO 66 2HG PRO 66 -5.332 -4.116 -10.068 504 1HD PRO 66 1HD PRO 66 -4.864 -3.525 -12.624 505 2HD PRO 66 2HD PRO 66 -6.124 -2.712 -11.713 506 H HIS 67 H HIS 67 -2.414 0.844 -10.832 507 HA HIS 67 HA HIS 67 0.165 -0.565 -10.626 508 1HB HIS 67 1HB HIS 67 1.084 1.004 -12.259 509 2HB HIS 67 2HB HIS 67 -0.281 0.139 -12.944 510 HD1 HIS 67 HD1 HIS 67 0.300 2.586 -14.410 511 HD2 HIS 67 HD2 HIS 67 -2.024 2.691 -10.971 512 HE1 HIS 67 HE1 HIS 67 -1.026 4.720 -14.542 513 HE2 HIS 67 HE2 HIS 67 -2.460 4.723 -12.470 514 H ILE 68 H ILE 68 1.918 0.659 -9.848 515 HA ILE 68 HA ILE 68 1.501 1.985 -7.480 516 HB ILE 68 HB ILE 68 3.761 1.392 -9.210 517 1HG1 ILE 68 1HG1 ILE 68 3.542 1.894 -6.257 518 2HG1 ILE 68 2HG1 ILE 68 3.328 0.342 -7.040 519 1HG2 ILE 68 1HG2 ILE 68 3.872 4.050 -7.796 520 2HG2 ILE 68 2HG2 ILE 68 5.283 3.163 -8.357 521 3HG2 ILE 68 3HG2 ILE 68 4.100 3.674 -9.504 522 1HD1 ILE 68 1HD1 ILE 68 5.906 1.911 -7.033 523 2HD1 ILE 68 2HD1 ILE 68 5.532 0.533 -6.024 524 3HD1 ILE 68 3HD1 ILE 68 5.616 0.355 -7.758 525 H THR 69 H THR 69 0.472 3.829 -7.110 526 HA THR 69 HA THR 69 1.241 6.255 -8.466 527 HB THR 69 HB THR 69 -1.400 4.929 -9.043 528 HG1 THR 69 HG1 THR 69 0.054 4.712 -10.673 529 1HG2 THR 69 1HG2 THR 69 -0.860 7.886 -9.166 530 2HG2 THR 69 2HG2 THR 69 -2.143 7.078 -10.059 531 3HG2 THR 69 3HG2 THR 69 -2.151 7.071 -8.314 No H/Q in entry = 531 Start of MODEL 4 1 H SER 1 H SER 1 12.016 7.892 -14.932 2 HA SER 1 HA SER 1 13.092 5.260 -14.313 3 1HB SER 1 1HB SER 1 13.166 7.897 -12.709 4 2HB SER 1 2HB SER 1 14.008 6.446 -12.185 5 HG SER 1 HG SER 1 14.382 7.729 -14.706 6 H ARG 2 H ARG 2 12.852 3.798 -12.575 7 HA ARG 2 HA ARG 2 10.384 3.816 -10.995 8 1HB ARG 2 1HB ARG 2 10.523 2.824 -13.672 9 2HB ARG 2 2HB ARG 2 10.392 1.432 -12.635 10 1HG ARG 2 1HG ARG 2 8.222 1.764 -12.385 11 2HG ARG 2 2HG ARG 2 8.526 3.352 -11.695 12 1HD ARG 2 1HD ARG 2 8.585 4.367 -13.908 13 2HD ARG 2 2HD ARG 2 8.330 2.772 -14.633 14 HE ARG 2 HE ARG 2 6.240 3.255 -12.832 15 1HH1 ARG 2 1HH1 ARG 2 7.437 4.391 -15.933 16 2HH1 ARG 2 2HH1 ARG 2 5.883 4.943 -16.446 17 1HH2 ARG 2 1HH2 ARG 2 4.183 3.842 -13.600 18 2HH2 ARG 2 2HH2 ARG 2 4.039 4.658 -15.123 19 H ARG 3 H ARG 3 12.143 3.676 -9.395 20 HA ARG 3 HA ARG 3 13.273 0.967 -9.151 21 1HB ARG 3 1HB ARG 3 14.227 3.625 -8.516 22 2HB ARG 3 2HB ARG 3 14.239 2.647 -7.060 23 1HG ARG 3 1HG ARG 3 15.343 0.973 -8.977 24 2HG ARG 3 2HG ARG 3 15.951 2.572 -9.413 25 1HD ARG 3 1HD ARG 3 16.312 2.568 -6.690 26 2HD ARG 3 2HD ARG 3 16.500 0.858 -7.086 27 HE ARG 3 HE ARG 3 18.041 2.411 -8.870 28 1HH1 ARG 3 1HH1 ARG 3 17.971 1.416 -5.503 29 2HH1 ARG 3 2HH1 ARG 3 19.679 1.517 -5.323 30 1HH2 ARG 3 1HH2 ARG 3 20.297 2.538 -8.607 31 2HH2 ARG 3 2HH2 ARG 3 21.007 2.125 -7.080 32 H CYS 4 H CYS 4 11.081 0.213 -8.652 33 HA CYS 4 HA CYS 4 10.302 0.828 -5.889 34 1HB CYS 4 1HB CYS 4 8.776 0.198 -8.328 35 2HB CYS 4 2HB CYS 4 8.104 -0.436 -6.840 36 1HB PRO 5 1HB PRO 5 10.295 -2.964 -2.374 37 2HB PRO 5 2HB PRO 5 11.989 -3.169 -2.695 38 1HG PRO 5 1HG PRO 5 10.969 -0.814 -1.851 39 2HG PRO 5 2HG PRO 5 12.322 -0.928 -2.968 40 1HD PRO 5 1HD PRO 5 10.949 0.418 -4.190 41 2HD PRO 5 2HD PRO 5 9.454 -0.344 -3.597 42 H GLY 6 H GLY 6 9.763 -3.597 -6.644 43 1HA GLY 6 1HA GLY 6 8.447 -5.787 -6.483 44 2HA GLY 6 2HA GLY 6 7.412 -4.884 -5.400 45 H LYS 7 H LYS 7 6.787 -6.113 -7.973 46 HA LYS 7 HA LYS 7 6.688 -4.691 -10.209 47 1HB LYS 7 1HB LYS 7 5.460 -6.800 -9.764 48 2HB LYS 7 2HB LYS 7 4.204 -5.865 -8.992 49 1HG LYS 7 1HG LYS 7 3.580 -4.800 -10.993 50 2HG LYS 7 2HG LYS 7 5.041 -5.362 -11.811 51 1HD LYS 7 1HD LYS 7 3.199 -7.413 -10.702 52 2HD LYS 7 2HD LYS 7 2.683 -6.577 -12.163 53 1HE LYS 7 1HE LYS 7 4.891 -7.216 -13.187 54 2HE LYS 7 2HE LYS 7 5.227 -8.119 -11.712 55 1HZ LYS 7 1HZ LYS 7 3.191 -9.427 -12.150 56 2HZ LYS 7 2HZ LYS 7 3.049 -8.639 -13.645 57 3HZ LYS 7 3HZ LYS 7 4.404 -9.627 -13.306 58 H ASN 8 H ASN 8 5.638 -2.945 -11.137 59 HA ASN 8 HA ASN 8 4.428 -1.030 -9.244 60 1HB ASN 8 1HB ASN 8 5.233 0.712 -10.929 61 2HB ASN 8 2HB ASN 8 6.443 -0.130 -9.980 62 2HD2 ASN 8 2HD2 ASN 8 8.098 -1.014 -11.008 63 1HD2 ASN 8 1HD2 ASN 8 8.121 -1.417 -12.689 64 H ALA 9 H ALA 9 3.494 -3.062 -11.625 65 HA ALA 9 HA ALA 9 1.024 -1.667 -11.991 66 1HB ALA 9 1HB ALA 9 2.749 -2.249 -14.379 67 2HB ALA 9 2HB ALA 9 1.087 -1.644 -14.421 68 3HB ALA 9 3HB ALA 9 2.371 -0.650 -13.742 69 H TRP 10 H TRP 10 -0.513 -3.151 -11.776 70 HA TRP 10 HA TRP 10 0.179 -5.950 -12.458 71 1HB TRP 10 1HB TRP 10 -1.807 -4.866 -10.436 72 2HB TRP 10 2HB TRP 10 -1.637 -6.544 -10.948 73 HD1 TRP 10 HD1 TRP 10 0.165 -8.027 -9.918 74 HE1 TRP 10 HE1 TRP 10 2.012 -7.660 -8.165 75 HE3 TRP 10 HE3 TRP 10 -0.095 -2.952 -9.492 76 HZ2 TRP 10 HZ2 TRP 10 3.199 -5.494 -6.798 77 HZ3 TRP 10 HZ3 TRP 10 1.421 -1.802 -7.948 78 HH2 TRP 10 HH2 TRP 10 3.030 -3.052 -6.610 79 1HB PRO 11 1HB PRO 11 -1.822 -6.171 -17.621 80 2HB PRO 11 2HB PRO 11 -1.407 -4.488 -17.319 81 1HG PRO 11 1HG PRO 11 0.018 -6.952 -16.427 82 2HG PRO 11 2HG PRO 11 0.683 -5.446 -17.074 83 1HD PRO 11 1HD PRO 11 0.710 -5.994 -14.458 84 2HD PRO 11 2HD PRO 11 0.463 -4.341 -15.069 85 H GLU 12 H GLU 12 -1.572 -7.707 -14.742 86 HA GLU 12 HA GLU 12 -3.606 -9.344 -15.786 87 1HB GLU 12 1HB GLU 12 -2.742 -11.047 -14.243 88 2HB GLU 12 2HB GLU 12 -1.468 -10.267 -15.156 89 1HG GLU 12 1HG GLU 12 -2.066 -9.001 -12.549 90 2HG GLU 12 2HG GLU 12 -1.503 -10.671 -12.448 91 H LEU 13 H LEU 13 -3.678 -7.160 -13.147 92 HA LEU 13 HA LEU 13 -5.684 -8.584 -11.659 93 1HB LEU 13 1HB LEU 13 -4.481 -5.834 -11.426 94 2HB LEU 13 2HB LEU 13 -5.839 -6.320 -10.448 95 HG LEU 13 HG LEU 13 -3.087 -7.543 -10.421 96 1HD1 LEU 13 1HD1 LEU 13 -4.643 -5.970 -8.401 97 2HD1 LEU 13 2HD1 LEU 13 -3.133 -6.791 -8.056 98 3HD1 LEU 13 3HD1 LEU 13 -3.198 -5.481 -9.202 99 1HD2 LEU 13 1HD2 LEU 13 -5.687 -8.539 -9.374 100 2HD2 LEU 13 2HD2 LEU 13 -4.308 -9.418 -10.030 101 3HD2 LEU 13 3HD2 LEU 13 -4.250 -8.776 -8.412 102 H VAL 14 H VAL 14 -5.620 -6.445 -14.336 103 HA VAL 14 HA VAL 14 -8.078 -5.159 -14.099 104 HB VAL 14 HB VAL 14 -6.782 -6.166 -16.649 105 1HG1 VAL 14 1HG1 VAL 14 -8.927 -4.100 -16.144 106 2HG1 VAL 14 2HG1 VAL 14 -8.021 -4.227 -17.666 107 3HG1 VAL 14 3HG1 VAL 14 -9.034 -5.575 -17.131 108 1HG2 VAL 14 1HG2 VAL 14 -5.323 -4.697 -15.202 109 2HG2 VAL 14 2HG2 VAL 14 -5.697 -4.069 -16.804 110 3HG2 VAL 14 3HG2 VAL 14 -6.537 -3.438 -15.388 111 H GLY 15 H GLY 15 -10.062 -6.037 -13.860 112 1HA GLY 15 1HA GLY 15 -11.862 -7.270 -14.737 113 2HA GLY 15 2HA GLY 15 -10.775 -8.463 -15.414 114 H LYS 16 H LYS 16 -9.410 -8.030 -12.550 115 HA LYS 16 HA LYS 16 -10.810 -10.270 -11.336 116 1HB LYS 16 1HB LYS 16 -8.138 -9.205 -11.292 117 2HB LYS 16 2HB LYS 16 -8.735 -9.262 -9.643 118 1HG LYS 16 1HG LYS 16 -9.157 -11.584 -9.813 119 2HG LYS 16 2HG LYS 16 -8.803 -11.618 -11.536 120 1HD LYS 16 1HD LYS 16 -6.472 -10.651 -10.709 121 2HD LYS 16 2HD LYS 16 -6.984 -11.318 -9.157 122 1HE LYS 16 1HE LYS 16 -7.442 -13.487 -10.563 123 2HE LYS 16 2HE LYS 16 -5.813 -13.065 -10.032 124 1HZ LYS 16 1HZ LYS 16 -5.440 -12.046 -12.233 125 2HZ LYS 16 2HZ LYS 16 -5.772 -13.718 -12.318 126 3HZ LYS 16 3HZ LYS 16 -6.943 -12.539 -12.731 127 H SER 17 H SER 17 -10.950 -10.083 -8.812 128 HA SER 17 HA SER 17 -12.838 -7.966 -8.290 129 1HB SER 17 1HB SER 17 -13.283 -9.087 -6.247 130 2HB SER 17 2HB SER 17 -12.894 -10.361 -7.380 131 HG SER 17 HG SER 17 -11.757 -10.673 -5.463 132 H GLY 18 H GLY 18 -12.606 -6.211 -6.891 133 1HA GLY 18 1HA GLY 18 -10.153 -4.935 -6.752 134 2HA GLY 18 2HA GLY 18 -11.501 -4.575 -5.715 135 H ASN 19 H ASN 19 -11.538 -7.277 -4.560 136 HA ASN 19 HA ASN 19 -9.702 -6.815 -2.428 137 1HB ASN 19 1HB ASN 19 -11.830 -8.779 -3.055 138 2HB ASN 19 2HB ASN 19 -10.496 -9.446 -2.138 139 2HD2 ASN 19 2HD2 ASN 19 -13.119 -7.157 -2.102 140 1HD2 ASN 19 1HD2 ASN 19 -13.047 -6.849 -0.403 141 H MET 20 H MET 20 -9.851 -9.352 -4.937 142 HA MET 20 HA MET 20 -7.407 -10.577 -4.195 143 1HB MET 20 1HB MET 20 -9.359 -11.277 -5.897 144 2HB MET 20 2HB MET 20 -8.261 -10.593 -7.067 145 1HG MET 20 1HG MET 20 -7.203 -12.545 -7.120 146 2HG MET 20 2HG MET 20 -6.639 -12.201 -5.485 147 1HE MET 20 1HE MET 20 -7.789 -13.026 -3.272 148 2HE MET 20 2HE MET 20 -9.307 -12.285 -3.784 149 3HE MET 20 3HE MET 20 -9.286 -13.961 -3.241 150 H ALA 21 H ALA 21 -8.173 -7.788 -6.156 151 HA ALA 21 HA ALA 21 -5.710 -7.518 -7.456 152 1HB ALA 21 1HB ALA 21 -7.932 -5.620 -6.827 153 2HB ALA 21 2HB ALA 21 -7.428 -6.287 -8.394 154 3HB ALA 21 3HB ALA 21 -6.448 -5.060 -7.601 155 H ALA 22 H ALA 22 -6.991 -5.716 -4.677 156 HA ALA 22 HA ALA 22 -4.631 -4.401 -4.001 157 1HB ALA 22 1HB ALA 22 -5.641 -4.216 -1.697 158 2HB ALA 22 2HB ALA 22 -6.679 -3.680 -3.024 159 3HB ALA 22 3HB ALA 22 -6.950 -5.262 -2.286 160 H ALA 23 H ALA 23 -5.789 -7.606 -3.105 161 HA ALA 23 HA ALA 23 -3.788 -8.172 -1.175 162 1HB ALA 23 1HB ALA 23 -5.361 -10.098 -2.894 163 2HB ALA 23 2HB ALA 23 -5.883 -9.437 -1.343 164 3HB ALA 23 3HB ALA 23 -4.475 -10.497 -1.416 165 H THR 24 H THR 24 -4.032 -8.834 -4.660 166 HA THR 24 HA THR 24 -1.665 -10.308 -4.943 167 HB THR 24 HB THR 24 -2.998 -8.457 -6.913 168 HG1 THR 24 HG1 THR 24 -3.296 -11.250 -6.462 169 1HG2 THR 24 1HG2 THR 24 -0.973 -10.627 -7.347 170 2HG2 THR 24 2HG2 THR 24 -1.981 -9.949 -8.634 171 3HG2 THR 24 3HG2 THR 24 -0.836 -8.927 -7.782 172 H VAL 25 H VAL 25 -2.246 -6.817 -5.093 173 HA VAL 25 HA VAL 25 0.403 -6.107 -5.827 174 HB VAL 25 HB VAL 25 -1.602 -4.424 -4.304 175 1HG1 VAL 25 1HG1 VAL 25 1.096 -3.896 -5.234 176 2HG1 VAL 25 2HG1 VAL 25 -0.071 -2.798 -5.965 177 3HG1 VAL 25 3HG1 VAL 25 0.028 -2.939 -4.233 178 1HG2 VAL 25 1HG2 VAL 25 -1.332 -5.103 -7.205 179 2HG2 VAL 25 2HG2 VAL 25 -2.766 -4.935 -6.202 180 3HG2 VAL 25 3HG2 VAL 25 -1.918 -3.501 -6.737 181 H GLU 26 H GLU 26 -1.224 -6.107 -2.652 182 HA GLU 26 HA GLU 26 1.081 -5.302 -1.193 183 1HB GLU 26 1HB GLU 26 -0.134 -5.897 0.784 184 2HB GLU 26 2HB GLU 26 -1.240 -6.911 -0.137 185 1HG GLU 26 1HG GLU 26 -1.321 -4.285 -1.258 186 2HG GLU 26 2HG GLU 26 -2.604 -5.226 -0.498 187 H ARG 27 H ARG 27 -0.010 -8.434 -2.329 188 HA ARG 27 HA ARG 27 1.821 -9.881 -0.603 189 1HB ARG 27 1HB ARG 27 -0.264 -10.604 -2.598 190 2HB ARG 27 2HB ARG 27 1.085 -11.694 -2.493 191 1HG ARG 27 1HG ARG 27 0.523 -12.506 -0.509 192 2HG ARG 27 2HG ARG 27 0.013 -10.940 0.125 193 1HD ARG 27 1HD ARG 27 -1.828 -12.405 0.034 194 2HD ARG 27 2HD ARG 27 -2.096 -11.127 -1.154 195 HE ARG 27 HE ARG 27 -0.994 -13.064 -2.665 196 1HH1 ARG 27 1HH1 ARG 27 -3.576 -13.231 -0.273 197 2HH1 ARG 27 2HH1 ARG 27 -4.370 -14.530 -1.078 198 1HH2 ARG 27 1HH2 ARG 27 -2.037 -14.823 -3.656 199 2HH2 ARG 27 2HH2 ARG 27 -3.469 -15.483 -2.942 200 H GLU 28 H GLU 28 1.560 -9.362 -4.125 201 HA GLU 28 HA GLU 28 4.073 -10.523 -4.728 202 1HB GLU 28 1HB GLU 28 2.270 -8.606 -6.188 203 2HB GLU 28 2HB GLU 28 3.840 -9.033 -6.851 204 1HG GLU 28 1HG GLU 28 2.987 -11.495 -6.488 205 2HG GLU 28 2HG GLU 28 1.406 -10.707 -6.492 206 H ASN 29 H ASN 29 3.087 -7.267 -3.830 207 HA ASN 29 HA ASN 29 5.941 -6.490 -3.715 208 1HB ASN 29 1HB ASN 29 4.805 -5.343 -5.544 209 2HB ASN 29 2HB ASN 29 3.573 -4.750 -4.443 210 2HD2 ASN 29 2HD2 ASN 29 5.197 -3.121 -6.078 211 1HD2 ASN 29 1HD2 ASN 29 6.293 -2.242 -5.085 212 H ARG 30 H ARG 30 5.864 -7.299 -1.540 213 HA ARG 30 HA ARG 30 4.117 -6.300 0.446 214 1HB ARG 30 1HB ARG 30 6.672 -7.807 0.388 215 2HB ARG 30 2HB ARG 30 6.384 -6.902 1.857 216 1HG ARG 30 1HG ARG 30 4.119 -8.606 0.857 217 2HG ARG 30 2HG ARG 30 5.587 -9.379 1.444 218 1HD ARG 30 1HD ARG 30 4.942 -9.165 3.480 219 2HD ARG 30 2HD ARG 30 5.101 -7.427 3.362 220 HE ARG 30 HE ARG 30 2.604 -8.844 2.613 221 1HH1 ARG 30 1HH1 ARG 30 4.256 -6.431 4.600 222 2HH1 ARG 30 2HH1 ARG 30 2.775 -5.784 5.218 223 1HH2 ARG 30 1HH2 ARG 30 0.679 -7.965 3.477 224 2HH2 ARG 30 2HH2 ARG 30 0.772 -6.710 4.664 225 H ASN 31 H ASN 31 6.400 -4.560 -1.297 226 HA ASN 31 HA ASN 31 7.099 -2.792 0.915 227 1HB ASN 31 1HB ASN 31 8.785 -3.518 -0.798 228 2HB ASN 31 2HB ASN 31 7.882 -2.604 -2.003 229 2HD2 ASN 31 2HD2 ASN 31 9.930 -2.415 0.814 230 1HD2 ASN 31 1HD2 ASN 31 10.232 -0.718 0.711 231 H VAL 32 H VAL 32 4.420 -3.103 -0.961 232 HA VAL 32 HA VAL 32 3.885 -0.230 -0.782 233 HB VAL 32 HB VAL 32 2.878 -0.136 -2.929 234 1HG1 VAL 32 1HG1 VAL 32 5.305 0.166 -2.868 235 2HG1 VAL 32 2HG1 VAL 32 5.544 -1.515 -3.146 236 3HG1 VAL 32 3HG1 VAL 32 4.795 -0.571 -4.401 237 1HG2 VAL 32 1HG2 VAL 32 3.252 -3.110 -2.961 238 2HG2 VAL 32 2HG2 VAL 32 1.810 -2.169 -3.266 239 3HG2 VAL 32 3HG2 VAL 32 3.097 -2.212 -4.464 240 H HIS 33 H HIS 33 1.509 0.214 -1.153 241 HA HIS 33 HA HIS 33 -0.170 -1.957 -0.184 242 1HB HIS 33 1HB HIS 33 -0.673 -1.042 1.755 243 2HB HIS 33 2HB HIS 33 0.722 0.014 1.566 244 HD1 HIS 33 HD1 HIS 33 -2.885 -0.034 2.004 245 HD2 HIS 33 HD2 HIS 33 -0.108 2.652 0.496 246 HE1 HIS 33 HE1 HIS 33 -4.042 2.193 1.977 247 HE2 HIS 33 HE2 HIS 33 -2.244 3.835 1.340 248 H ALA 34 H ALA 34 -2.001 -2.150 -1.313 249 HA ALA 34 HA ALA 34 -2.668 -0.001 -3.180 250 1HB ALA 34 1HB ALA 34 -3.590 -2.856 -3.097 251 2HB ALA 34 2HB ALA 34 -3.979 -1.677 -4.370 252 3HB ALA 34 3HB ALA 34 -2.306 -2.207 -4.118 253 H ILE 35 H ILE 35 -4.544 1.097 -3.146 254 HA ILE 35 HA ILE 35 -6.413 0.530 -0.929 255 HB ILE 35 HB ILE 35 -6.132 3.104 -2.477 256 1HG1 ILE 35 1HG1 ILE 35 -5.049 2.513 0.260 257 2HG1 ILE 35 2HG1 ILE 35 -4.052 2.445 -1.175 258 1HG2 ILE 35 1HG2 ILE 35 -8.310 2.794 -1.403 259 2HG2 ILE 35 2HG2 ILE 35 -7.506 2.443 0.125 260 3HG2 ILE 35 3HG2 ILE 35 -7.395 4.044 -0.577 261 1HD1 ILE 35 1HD1 ILE 35 -5.580 4.930 -0.471 262 2HD1 ILE 35 2HD1 ILE 35 -4.007 4.567 0.224 263 3HD1 ILE 35 3HD1 ILE 35 -4.146 4.725 -1.500 264 H VAL 36 H VAL 36 -8.316 -0.336 -1.487 265 HA VAL 36 HA VAL 36 -9.111 -0.452 -4.249 266 HB VAL 36 HB VAL 36 -9.412 -2.317 -2.573 267 1HG1 VAL 36 1HG1 VAL 36 -10.405 -0.761 -0.813 268 2HG1 VAL 36 2HG1 VAL 36 -11.904 -0.837 -1.739 269 3HG1 VAL 36 3HG1 VAL 36 -11.210 -2.305 -1.069 270 1HG2 VAL 36 1HG2 VAL 36 -11.801 -1.386 -4.182 271 2HG2 VAL 36 2HG2 VAL 36 -10.445 -2.394 -4.749 272 3HG2 VAL 36 3HG2 VAL 36 -11.572 -3.037 -3.533 273 H LEU 37 H LEU 37 -10.468 0.810 -5.296 274 HA LEU 37 HA LEU 37 -12.575 2.264 -3.942 275 1HB LEU 37 1HB LEU 37 -11.714 4.436 -5.023 276 2HB LEU 37 2HB LEU 37 -11.064 3.921 -3.492 277 HG LEU 37 HG LEU 37 -9.213 2.794 -5.081 278 1HD1 LEU 37 1HD1 LEU 37 -10.351 5.063 -6.688 279 2HD1 LEU 37 2HD1 LEU 37 -8.727 4.427 -6.924 280 3HD1 LEU 37 3HD1 LEU 37 -10.125 3.399 -7.185 281 1HD2 LEU 37 1HD2 LEU 37 -9.451 5.332 -3.655 282 2HD2 LEU 37 2HD2 LEU 37 -8.158 4.126 -3.684 283 3HD2 LEU 37 3HD2 LEU 37 -8.263 5.366 -4.955 284 H LYS 38 H LYS 38 -14.165 2.928 -5.348 285 HA LYS 38 HA LYS 38 -14.015 1.757 -7.998 286 1HB LYS 38 1HB LYS 38 -16.449 2.201 -8.114 287 2HB LYS 38 2HB LYS 38 -15.962 1.211 -6.764 288 1HG LYS 38 1HG LYS 38 -15.974 3.376 -5.364 289 2HG LYS 38 2HG LYS 38 -17.483 2.624 -5.830 290 1HD LYS 38 1HD LYS 38 -16.733 4.441 -7.896 291 2HD LYS 38 2HD LYS 38 -16.595 5.276 -6.357 292 1HE LYS 38 1HE LYS 38 -18.789 5.566 -7.296 293 2HE LYS 38 2HE LYS 38 -19.009 3.823 -7.431 294 1HZ LYS 38 1HZ LYS 38 -18.562 5.219 -4.841 295 2HZ LYS 38 2HZ LYS 38 -20.094 4.903 -5.480 296 3HZ LYS 38 3HZ LYS 38 -19.076 3.612 -5.088 297 H GLU 39 H GLU 39 -14.797 2.859 -9.896 298 HA GLU 39 HA GLU 39 -13.463 5.140 -10.547 299 1HB GLU 39 1HB GLU 39 -14.608 3.643 -12.135 300 2HB GLU 39 2HB GLU 39 -16.162 4.332 -11.663 301 1HG GLU 39 1HG GLU 39 -14.569 6.548 -12.392 302 2HG GLU 39 2HG GLU 39 -14.147 5.263 -13.514 303 H GLY 40 H GLY 40 -13.580 7.211 -9.917 304 1HA GLY 40 1HA GLY 40 -14.849 9.214 -9.753 305 2HA GLY 40 2HA GLY 40 -16.211 8.329 -9.086 306 H SER 41 H SER 41 -13.651 6.953 -7.588 307 HA SER 41 HA SER 41 -14.109 8.309 -5.138 308 1HB SER 41 1HB SER 41 -13.496 6.026 -5.016 309 2HB SER 41 2HB SER 41 -12.065 6.271 -6.022 310 HG SER 41 HG SER 41 -12.032 6.212 -3.481 311 H ALA 42 H ALA 42 -11.898 8.854 -3.857 312 HA ALA 42 HA ALA 42 -10.797 11.171 -5.280 313 1HB ALA 42 1HB ALA 42 -9.909 11.810 -3.105 314 2HB ALA 42 2HB ALA 42 -10.459 10.283 -2.407 315 3HB ALA 42 3HB ALA 42 -11.632 11.461 -2.995 316 H MET 43 H MET 43 -9.227 10.554 -6.643 317 HA MET 43 HA MET 43 -7.033 8.906 -5.538 318 1HB MET 43 1HB MET 43 -6.730 8.282 -8.053 319 2HB MET 43 2HB MET 43 -7.896 7.441 -7.054 320 1HG MET 43 1HG MET 43 -9.638 9.035 -7.955 321 2HG MET 43 2HG MET 43 -8.417 9.617 -9.081 322 1HE MET 43 1HE MET 43 -10.546 7.002 -7.700 323 2HE MET 43 2HE MET 43 -11.491 7.135 -9.188 324 3HE MET 43 3HE MET 43 -10.595 5.664 -8.841 325 H THR 44 H THR 44 -5.598 10.443 -5.030 326 HA THR 44 HA THR 44 -5.139 12.795 -6.488 327 HB THR 44 HB THR 44 -2.768 12.537 -5.300 328 HG1 THR 44 HG1 THR 44 -4.186 10.850 -3.568 329 1HG2 THR 44 1HG2 THR 44 -5.343 12.895 -3.781 330 2HG2 THR 44 2HG2 THR 44 -3.739 13.228 -3.141 331 3HG2 THR 44 3HG2 THR 44 -4.344 14.151 -4.527 332 H LYS 45 H LYS 45 -3.503 13.364 -7.942 333 HA LYS 45 HA LYS 45 -2.797 11.226 -9.782 334 1HB LYS 45 1HB LYS 45 -2.741 14.208 -9.813 335 2HB LYS 45 2HB LYS 45 -1.620 13.365 -10.869 336 1HG LYS 45 1HG LYS 45 -3.947 12.036 -11.430 337 2HG LYS 45 2HG LYS 45 -4.544 13.623 -10.967 338 1HD LYS 45 1HD LYS 45 -2.239 13.677 -12.845 339 2HD LYS 45 2HD LYS 45 -3.719 12.936 -13.439 340 1HE LYS 45 1HE LYS 45 -4.640 15.245 -12.182 341 2HE LYS 45 2HE LYS 45 -3.134 15.720 -12.961 342 1HZ LYS 45 1HZ LYS 45 -3.954 14.843 -15.048 343 2HZ LYS 45 2HZ LYS 45 -5.417 14.384 -14.310 344 3HZ LYS 45 3HZ LYS 45 -4.990 16.013 -14.435 345 H ASP 46 H ASP 46 -1.274 13.044 -7.258 346 HA ASP 46 HA ASP 46 1.378 13.008 -7.892 347 1HB ASP 46 1HB ASP 46 -0.061 12.594 -5.263 348 2HB ASP 46 2HB ASP 46 1.688 12.448 -5.360 349 H PHE 47 H PHE 47 3.135 11.550 -7.263 350 HA PHE 47 HA PHE 47 2.375 8.760 -7.824 351 1HB PHE 47 1HB PHE 47 3.967 9.664 -9.376 352 2HB PHE 47 2HB PHE 47 4.980 10.242 -8.068 353 HD1 PHE 47 HD1 PHE 47 3.830 7.235 -9.852 354 HD2 PHE 47 HD2 PHE 47 6.510 8.804 -6.941 355 HE1 PHE 47 HE1 PHE 47 5.080 5.140 -9.882 356 HE2 PHE 47 HE2 PHE 47 7.758 6.685 -6.954 357 HZ PHE 47 HZ PHE 47 7.038 4.839 -8.413 358 H ARG 48 H ARG 48 2.632 7.177 -6.389 359 HA ARG 48 HA ARG 48 4.450 7.496 -4.124 360 1HB ARG 48 1HB ARG 48 1.468 7.438 -3.908 361 2HB ARG 48 2HB ARG 48 2.378 6.506 -2.735 362 1HG ARG 48 1HG ARG 48 3.524 8.437 -1.965 363 2HG ARG 48 2HG ARG 48 2.882 9.417 -3.270 364 1HD ARG 48 1HD ARG 48 0.593 9.096 -2.355 365 2HD ARG 48 2HD ARG 48 1.711 9.857 -1.226 366 HE ARG 48 HE ARG 48 1.756 7.113 -0.729 367 1HH1 ARG 48 1HH1 ARG 48 -0.391 9.865 -0.387 368 2HH1 ARG 48 2HH1 ARG 48 -1.192 9.205 0.988 369 1HH2 ARG 48 1HH2 ARG 48 0.676 6.248 1.074 370 2HH2 ARG 48 2HH2 ARG 48 -0.577 7.174 1.832 371 H CYS 49 H CYS 49 5.681 5.772 -4.412 372 HA CYS 49 HA CYS 49 4.956 3.420 -5.708 373 1HB CYS 49 1HB CYS 49 7.275 4.197 -5.382 374 2HB CYS 49 2HB CYS 49 7.150 3.779 -3.682 375 H ASP 50 H ASP 50 4.852 4.259 -2.296 376 HA ASP 50 HA ASP 50 4.145 1.576 -1.497 377 1HB ASP 50 1HB ASP 50 3.785 2.560 0.713 378 2HB ASP 50 2HB ASP 50 5.382 2.988 0.088 379 H ARG 51 H ARG 51 2.409 3.746 -3.215 380 HA ARG 51 HA ARG 51 -0.105 2.848 -2.029 381 1HB ARG 51 1HB ARG 51 0.419 5.278 -1.577 382 2HB ARG 51 2HB ARG 51 0.370 5.517 -3.317 383 1HG ARG 51 1HG ARG 51 -2.020 4.573 -3.246 384 2HG ARG 51 2HG ARG 51 -1.866 4.758 -1.493 385 1HD ARG 51 1HD ARG 51 -2.899 6.743 -2.177 386 2HD ARG 51 2HD ARG 51 -1.209 7.132 -1.882 387 HE ARG 51 HE ARG 51 -1.729 6.475 -4.631 388 1HH1 ARG 51 1HH1 ARG 51 -1.810 9.056 -2.247 389 2HH1 ARG 51 2HH1 ARG 51 -1.716 10.296 -3.434 390 1HH2 ARG 51 1HH2 ARG 51 -1.478 8.156 -6.173 391 2HH2 ARG 51 2HH2 ARG 51 -1.634 9.798 -5.651 392 H VAL 52 H VAL 52 -1.401 1.825 -3.398 393 HA VAL 52 HA VAL 52 -1.041 2.269 -6.301 394 HB VAL 52 HB VAL 52 -1.566 -0.402 -4.982 395 1HG1 VAL 52 1HG1 VAL 52 -1.371 0.424 -7.860 396 2HG1 VAL 52 2HG1 VAL 52 -1.209 -1.253 -7.322 397 3HG1 VAL 52 3HG1 VAL 52 -2.716 -0.383 -7.045 398 1HG2 VAL 52 1HG2 VAL 52 0.908 0.946 -5.513 399 2HG2 VAL 52 2HG2 VAL 52 0.618 -0.633 -4.806 400 3HG2 VAL 52 3HG2 VAL 52 0.774 -0.450 -6.553 401 H TRP 53 H TRP 53 -2.857 3.066 -7.147 402 HA TRP 53 HA TRP 53 -5.340 2.960 -5.693 403 1HB TRP 53 1HB TRP 53 -4.582 4.086 -8.388 404 2HB TRP 53 2HB TRP 53 -6.237 4.118 -7.809 405 HD1 TRP 53 HD1 TRP 53 -4.099 6.626 -8.429 406 HE1 TRP 53 HE1 TRP 53 -4.019 8.491 -6.654 407 HE3 TRP 53 HE3 TRP 53 -6.098 4.083 -4.489 408 HZ2 TRP 53 HZ2 TRP 53 -4.697 8.820 -3.936 409 HZ3 TRP 53 HZ3 TRP 53 -6.358 5.235 -2.359 410 HH2 TRP 53 HH2 TRP 53 -5.664 7.556 -2.065 411 H VAL 54 H VAL 54 -6.991 1.576 -5.940 412 HA VAL 54 HA VAL 54 -6.844 -0.339 -8.203 413 HB VAL 54 HB VAL 54 -7.780 -0.668 -5.364 414 1HG1 VAL 54 1HG1 VAL 54 -8.526 -2.248 -7.802 415 2HG1 VAL 54 2HG1 VAL 54 -8.323 -3.091 -6.241 416 3HG1 VAL 54 3HG1 VAL 54 -9.506 -1.782 -6.396 417 1HG2 VAL 54 1HG2 VAL 54 -5.404 -1.000 -5.829 418 2HG2 VAL 54 2HG2 VAL 54 -6.209 -2.489 -5.301 419 3HG2 VAL 54 3HG2 VAL 54 -5.823 -2.245 -7.013 420 H ILE 55 H ILE 55 -8.095 0.731 -9.655 421 HA ILE 55 HA ILE 55 -10.614 1.928 -8.917 422 HB ILE 55 HB ILE 55 -9.826 1.393 -11.742 423 1HG1 ILE 55 1HG1 ILE 55 -7.827 2.324 -10.738 424 2HG1 ILE 55 2HG1 ILE 55 -8.570 3.550 -11.731 425 1HG2 ILE 55 1HG2 ILE 55 -11.398 3.558 -10.373 426 2HG2 ILE 55 2HG2 ILE 55 -10.971 3.565 -12.097 427 3HG2 ILE 55 3HG2 ILE 55 -12.001 2.282 -11.432 428 1HD1 ILE 55 1HD1 ILE 55 -9.686 4.232 -9.433 429 2HD1 ILE 55 2HD1 ILE 55 -8.302 3.355 -8.780 430 3HD1 ILE 55 3HD1 ILE 55 -8.046 4.730 -9.830 431 H VAL 56 H VAL 56 -12.443 0.857 -8.678 432 HA VAL 56 HA VAL 56 -12.898 -1.565 -10.271 433 HB VAL 56 HB VAL 56 -14.165 -2.514 -8.404 434 1HG1 VAL 56 1HG1 VAL 56 -11.346 -1.705 -7.659 435 2HG1 VAL 56 2HG1 VAL 56 -12.293 -3.020 -6.896 436 3HG1 VAL 56 3HG1 VAL 56 -11.841 -3.119 -8.610 437 1HG2 VAL 56 1HG2 VAL 56 -13.236 -0.087 -6.888 438 2HG2 VAL 56 2HG2 VAL 56 -14.893 -0.472 -7.324 439 3HG2 VAL 56 3HG2 VAL 56 -14.032 -1.477 -6.167 440 H ASN 57 H ASN 57 -15.217 -2.142 -10.476 441 HA ASN 57 HA ASN 57 -16.729 0.269 -11.161 442 1HB ASN 57 1HB ASN 57 -18.252 -1.279 -12.294 443 2HB ASN 57 2HB ASN 57 -16.609 -1.510 -12.859 444 2HD2 ASN 57 2HD2 ASN 57 -17.460 -3.587 -13.579 445 1HD2 ASN 57 1HD2 ASN 57 -17.745 -4.869 -12.444 446 H ASP 58 H ASP 58 -19.304 -0.441 -10.908 447 HA ASP 58 HA ASP 58 -19.830 0.024 -8.187 448 1HB ASP 58 1HB ASP 58 -21.396 -0.289 -10.654 449 2HB ASP 58 2HB ASP 58 -22.192 -1.012 -9.265 450 H HIS 59 H HIS 59 -19.221 -2.916 -9.854 451 HA HIS 59 HA HIS 59 -20.532 -4.536 -7.806 452 1HB HIS 59 1HB HIS 59 -19.178 -5.310 -10.421 453 2HB HIS 59 2HB HIS 59 -19.834 -6.416 -9.216 454 HD1 HIS 59 HD1 HIS 59 -21.521 -3.275 -10.500 455 HD2 HIS 59 HD2 HIS 59 -22.075 -7.388 -10.296 456 HE1 HIS 59 HE1 HIS 59 -23.807 -3.680 -11.435 457 HE2 HIS 59 HE2 HIS 59 -24.121 -6.185 -11.321 458 H GLY 60 H GLY 60 -17.583 -3.018 -8.086 459 1HA GLY 60 1HA GLY 60 -15.797 -3.214 -6.674 460 2HA GLY 60 2HA GLY 60 -16.417 -4.747 -6.069 461 H VAL 61 H VAL 61 -16.080 -4.184 -9.498 462 HA VAL 61 HA VAL 61 -13.938 -6.194 -9.596 463 HB VAL 61 HB VAL 61 -15.572 -5.100 -11.888 464 1HG1 VAL 61 1HG1 VAL 61 -13.849 -7.547 -11.613 465 2HG1 VAL 61 2HG1 VAL 61 -14.838 -7.151 -13.018 466 3HG1 VAL 61 3HG1 VAL 61 -13.488 -6.111 -12.575 467 1HG2 VAL 61 1HG2 VAL 61 -16.056 -7.548 -10.195 468 2HG2 VAL 61 2HG2 VAL 61 -17.105 -6.127 -10.336 469 3HG2 VAL 61 3HG2 VAL 61 -16.872 -7.191 -11.723 470 H VAL 62 H VAL 62 -11.930 -5.713 -10.413 471 HA VAL 62 HA VAL 62 -11.181 -2.962 -10.547 472 HB VAL 62 HB VAL 62 -9.564 -5.399 -11.317 473 1HG1 VAL 62 1HG1 VAL 62 -8.783 -2.509 -10.840 474 2HG1 VAL 62 2HG1 VAL 62 -7.631 -3.867 -10.832 475 3HG1 VAL 62 3HG1 VAL 62 -8.546 -3.506 -12.299 476 1HG2 VAL 62 1HG2 VAL 62 -10.480 -4.551 -8.767 477 2HG2 VAL 62 2HG2 VAL 62 -9.338 -5.824 -9.164 478 3HG2 VAL 62 3HG2 VAL 62 -8.754 -4.204 -8.849 479 H THR 63 H THR 63 -11.729 -1.717 -12.225 480 HA THR 63 HA THR 63 -11.890 -2.868 -14.923 481 HB THR 63 HB THR 63 -12.948 -0.772 -15.549 482 HG1 THR 63 HG1 THR 63 -12.092 0.791 -14.335 483 1HG2 THR 63 1HG2 THR 63 -14.101 -1.824 -12.980 484 2HG2 THR 63 2HG2 THR 63 -14.938 -0.810 -14.163 485 3HG2 THR 63 3HG2 THR 63 -14.419 -2.439 -14.605 486 H SER 64 H SER 64 -9.905 -0.719 -12.988 487 HA SER 64 HA SER 64 -8.341 -0.008 -15.389 488 1HB SER 64 1HB SER 64 -9.301 1.787 -13.764 489 2HB SER 64 2HB SER 64 -7.989 1.262 -12.701 490 HG SER 64 HG SER 64 -7.658 3.048 -14.379 491 H VAL 65 H VAL 65 -6.049 -0.003 -15.208 492 HA VAL 65 HA VAL 65 -5.037 -2.429 -14.105 493 HB VAL 65 HB VAL 65 -3.318 -0.179 -15.127 494 1HG1 VAL 65 1HG1 VAL 65 -2.939 -3.011 -14.434 495 2HG1 VAL 65 2HG1 VAL 65 -2.279 -2.555 -16.007 496 3HG1 VAL 65 3HG1 VAL 65 -1.782 -1.695 -14.552 497 1HG2 VAL 65 1HG2 VAL 65 -4.844 -2.203 -16.735 498 2HG2 VAL 65 2HG2 VAL 65 -4.996 -0.454 -16.820 499 3HG2 VAL 65 3HG2 VAL 65 -3.518 -1.240 -17.368 500 1HB PRO 66 1HB PRO 66 -4.483 -2.078 -8.616 501 2HB PRO 66 2HB PRO 66 -3.167 -3.023 -9.319 502 1HG PRO 66 1HG PRO 66 -4.805 -4.334 -10.047 503 2HG PRO 66 2HG PRO 66 -6.012 -3.071 -10.011 504 1HD PRO 66 1HD PRO 66 -4.062 -3.751 -12.143 505 2HD PRO 66 2HD PRO 66 -5.709 -3.144 -12.280 506 H HIS 67 H HIS 67 -2.312 0.850 -10.599 507 HA HIS 67 HA HIS 67 0.259 -0.583 -10.571 508 1HB HIS 67 1HB HIS 67 1.087 1.089 -12.265 509 2HB HIS 67 2HB HIS 67 -0.120 -0.042 -12.863 510 HD1 HIS 67 HD1 HIS 67 -2.735 1.188 -12.364 511 HD2 HIS 67 HD2 HIS 67 0.545 3.399 -13.528 512 HE1 HIS 67 HE1 HIS 67 -3.680 3.363 -13.130 513 HE2 HIS 67 HE2 HIS 67 -1.664 4.752 -13.718 514 H ILE 68 H ILE 68 1.925 0.418 -9.559 515 HA ILE 68 HA ILE 68 1.562 1.884 -7.341 516 HB ILE 68 HB ILE 68 3.840 1.318 -9.103 517 1HG1 ILE 68 1HG1 ILE 68 4.151 1.713 -6.207 518 2HG1 ILE 68 2HG1 ILE 68 3.031 0.439 -6.640 519 1HG2 ILE 68 1HG2 ILE 68 3.894 3.881 -7.503 520 2HG2 ILE 68 2HG2 ILE 68 5.350 2.976 -7.929 521 3HG2 ILE 68 3HG2 ILE 68 4.323 3.566 -9.197 522 1HD1 ILE 68 1HD1 ILE 68 5.674 0.451 -7.991 523 2HD1 ILE 68 2HD1 ILE 68 5.656 0.090 -6.278 524 3HD1 ILE 68 3HD1 ILE 68 4.696 -0.874 -7.365 525 H THR 69 H THR 69 0.536 3.712 -7.024 526 HA THR 69 HA THR 69 1.380 6.148 -8.320 527 HB THR 69 HB THR 69 -1.322 4.931 -8.918 528 HG1 THR 69 HG1 THR 69 0.709 6.054 -10.567 529 1HG2 THR 69 1HG2 THR 69 -0.548 7.823 -8.973 530 2HG2 THR 69 2HG2 THR 69 -1.689 7.164 -10.145 531 3HG2 THR 69 3HG2 THR 69 -2.050 7.063 -8.436 No H/Q in entry = 531 Start of MODEL 5 1 H SER 1 H SER 1 12.416 7.788 -3.335 2 HA SER 1 HA SER 1 11.063 9.109 -4.707 3 1HB SER 1 1HB SER 1 11.944 10.778 -6.212 4 2HB SER 1 2HB SER 1 12.903 10.708 -4.739 5 HG SER 1 HG SER 1 14.320 9.222 -5.983 6 H ARG 2 H ARG 2 12.982 8.185 -7.527 7 HA ARG 2 HA ARG 2 10.747 6.511 -8.534 8 1HB ARG 2 1HB ARG 2 11.947 6.729 -10.765 9 2HB ARG 2 2HB ARG 2 11.157 8.169 -10.141 10 1HG ARG 2 1HG ARG 2 13.309 9.021 -9.344 11 2HG ARG 2 2HG ARG 2 14.105 7.580 -9.980 12 1HD ARG 2 1HD ARG 2 12.982 8.284 -12.216 13 2HD ARG 2 2HD ARG 2 12.819 9.860 -11.435 14 HE ARG 2 HE ARG 2 15.437 9.269 -11.066 15 1HH1 ARG 2 1HH1 ARG 2 13.367 9.340 -13.910 16 2HH1 ARG 2 2HH1 ARG 2 14.665 9.745 -14.966 17 1HH2 ARG 2 1HH2 ARG 2 17.128 9.800 -12.494 18 2HH2 ARG 2 2HH2 ARG 2 16.790 10.003 -14.181 19 H ARG 3 H ARG 3 12.095 5.362 -6.603 20 HA ARG 3 HA ARG 3 13.439 3.161 -7.956 21 1HB ARG 3 1HB ARG 3 14.812 4.847 -5.855 22 2HB ARG 3 2HB ARG 3 15.358 3.236 -6.315 23 1HG ARG 3 1HG ARG 3 15.865 3.955 -8.534 24 2HG ARG 3 2HG ARG 3 15.138 5.528 -8.245 25 1HD ARG 3 1HD ARG 3 16.801 5.887 -6.424 26 2HD ARG 3 2HD ARG 3 17.616 4.445 -7.002 27 HE ARG 3 HE ARG 3 17.194 6.927 -8.566 28 1HH1 ARG 3 1HH1 ARG 3 19.120 4.059 -7.858 29 2HH1 ARG 3 2HH1 ARG 3 20.362 4.500 -8.956 30 1HH2 ARG 3 1HH2 ARG 3 18.863 7.456 -10.031 31 2HH2 ARG 3 2HH2 ARG 3 20.229 6.403 -10.192 32 H CYS 4 H CYS 4 11.523 2.092 -7.252 33 HA CYS 4 HA CYS 4 11.619 1.404 -4.391 34 1HB CYS 4 1HB CYS 4 9.263 1.467 -4.202 35 2HB CYS 4 2HB CYS 4 9.048 1.636 -5.943 36 1HB PRO 5 1HB PRO 5 11.108 -4.072 -3.619 37 2HB PRO 5 2HB PRO 5 12.637 -3.212 -3.810 38 1HG PRO 5 1HG PRO 5 10.156 -2.340 -2.422 39 2HG PRO 5 2HG PRO 5 11.830 -2.208 -1.868 40 1HD PRO 5 1HD PRO 5 10.461 -0.131 -2.991 41 2HD PRO 5 2HD PRO 5 12.218 -0.323 -3.130 42 H GLY 6 H GLY 6 10.338 -4.848 -5.609 43 1HA GLY 6 1HA GLY 6 8.349 -5.907 -5.967 44 2HA GLY 6 2HA GLY 6 7.559 -4.552 -5.222 45 H LYS 7 H LYS 7 6.268 -5.763 -7.190 46 HA LYS 7 HA LYS 7 6.813 -4.780 -9.804 47 1HB LYS 7 1HB LYS 7 5.512 -6.821 -9.213 48 2HB LYS 7 2HB LYS 7 4.213 -5.800 -8.704 49 1HG LYS 7 1HG LYS 7 3.775 -5.038 -10.856 50 2HG LYS 7 2HG LYS 7 5.331 -5.607 -11.459 51 1HD LYS 7 1HD LYS 7 3.973 -7.871 -10.390 52 2HD LYS 7 2HD LYS 7 2.783 -6.957 -11.316 53 1HE LYS 7 1HE LYS 7 5.183 -7.051 -12.862 54 2HE LYS 7 2HE LYS 7 4.865 -8.666 -12.238 55 1HZ LYS 7 1HZ LYS 7 2.915 -6.994 -13.727 56 2HZ LYS 7 2HZ LYS 7 3.797 -8.287 -14.366 57 3HZ LYS 7 3HZ LYS 7 2.649 -8.569 -13.159 58 H ASN 8 H ASN 8 5.703 -3.139 -11.001 59 HA ASN 8 HA ASN 8 4.600 -1.000 -9.270 60 1HB ASN 8 1HB ASN 8 6.148 -0.891 -11.856 61 2HB ASN 8 2HB ASN 8 5.332 0.509 -11.165 62 2HD2 ASN 8 2HD2 ASN 8 7.841 -1.909 -10.563 63 1HD2 ASN 8 1HD2 ASN 8 8.737 -0.922 -9.465 64 H ALA 9 H ALA 9 3.591 -3.202 -11.632 65 HA ALA 9 HA ALA 9 1.057 -1.855 -11.861 66 1HB ALA 9 1HB ALA 9 2.709 -2.281 -14.343 67 2HB ALA 9 2HB ALA 9 1.039 -1.706 -14.287 68 3HB ALA 9 3HB ALA 9 2.333 -0.725 -13.605 69 H TRP 10 H TRP 10 -0.456 -3.383 -11.743 70 HA TRP 10 HA TRP 10 0.264 -6.132 -12.585 71 1HB TRP 10 1HB TRP 10 -1.698 -5.143 -10.534 72 2HB TRP 10 2HB TRP 10 -1.554 -6.820 -11.035 73 HD1 TRP 10 HD1 TRP 10 0.316 -8.242 -9.923 74 HE1 TRP 10 HE1 TRP 10 2.104 -7.771 -8.139 75 HE3 TRP 10 HE3 TRP 10 -0.100 -3.169 -9.625 76 HZ2 TRP 10 HZ2 TRP 10 3.189 -5.548 -6.787 77 HZ3 TRP 10 HZ3 TRP 10 1.335 -1.937 -8.075 78 HH2 TRP 10 HH2 TRP 10 2.950 -3.107 -6.670 79 1HB PRO 11 1HB PRO 11 -1.812 -6.194 -17.687 80 2HB PRO 11 2HB PRO 11 -1.400 -4.498 -17.435 81 1HG PRO 11 1HG PRO 11 0.698 -5.422 -17.180 82 2HG PRO 11 2HG PRO 11 0.052 -6.946 -16.543 83 1HD PRO 11 1HD PRO 11 0.766 -5.992 -14.583 84 2HD PRO 11 2HD PRO 11 0.477 -4.332 -15.147 85 H GLU 12 H GLU 12 -1.637 -7.784 -15.022 86 HA GLU 12 HA GLU 12 -3.823 -9.221 -16.061 87 1HB GLU 12 1HB GLU 12 -1.683 -10.260 -15.603 88 2HB GLU 12 2HB GLU 12 -2.977 -11.102 -14.764 89 1HG GLU 12 1HG GLU 12 -2.142 -9.276 -12.870 90 2HG GLU 12 2HG GLU 12 -1.709 -10.978 -12.964 91 H LEU 13 H LEU 13 -3.815 -7.131 -13.407 92 HA LEU 13 HA LEU 13 -5.729 -8.635 -11.848 93 1HB LEU 13 1HB LEU 13 -4.429 -5.963 -11.580 94 2HB LEU 13 2HB LEU 13 -5.813 -6.348 -10.592 95 HG LEU 13 HG LEU 13 -3.123 -7.706 -10.583 96 1HD1 LEU 13 1HD1 LEU 13 -4.627 -5.976 -8.662 97 2HD1 LEU 13 2HD1 LEU 13 -3.352 -7.031 -8.117 98 3HD1 LEU 13 3HD1 LEU 13 -3.016 -5.773 -9.263 99 1HD2 LEU 13 1HD2 LEU 13 -5.743 -8.569 -9.413 100 2HD2 LEU 13 2HD2 LEU 13 -4.550 -9.507 -10.311 101 3HD2 LEU 13 3HD2 LEU 13 -4.217 -9.008 -8.684 102 H VAL 14 H VAL 14 -5.769 -6.369 -14.426 103 HA VAL 14 HA VAL 14 -8.193 -5.063 -13.998 104 HB VAL 14 HB VAL 14 -7.097 -5.960 -16.678 105 1HG1 VAL 14 1HG1 VAL 14 -9.062 -3.799 -15.902 106 2HG1 VAL 14 2HG1 VAL 14 -8.316 -3.929 -17.496 107 3HG1 VAL 14 3HG1 VAL 14 -9.364 -5.216 -16.907 108 1HG2 VAL 14 1HG2 VAL 14 -5.494 -4.629 -15.197 109 2HG2 VAL 14 2HG2 VAL 14 -5.867 -3.973 -16.777 110 3HG2 VAL 14 3HG2 VAL 14 -6.634 -3.302 -15.346 111 H GLY 15 H GLY 15 -10.116 -5.992 -13.584 112 1HA GLY 15 1HA GLY 15 -12.004 -7.133 -14.563 113 2HA GLY 15 2HA GLY 15 -10.919 -8.363 -15.182 114 H LYS 16 H LYS 16 -9.601 -7.828 -12.293 115 HA LYS 16 HA LYS 16 -11.159 -9.973 -11.052 116 1HB LYS 16 1HB LYS 16 -8.682 -10.206 -11.351 117 2HB LYS 16 2HB LYS 16 -8.464 -8.860 -10.243 118 1HG LYS 16 1HG LYS 16 -9.620 -10.156 -8.497 119 2HG LYS 16 2HG LYS 16 -8.140 -10.891 -9.060 120 1HD LYS 16 1HD LYS 16 -10.531 -11.775 -10.546 121 2HD LYS 16 2HD LYS 16 -10.577 -12.140 -8.829 122 1HE LYS 16 1HE LYS 16 -7.982 -12.750 -10.022 123 2HE LYS 16 2HE LYS 16 -9.040 -13.727 -9.005 124 1HZ LYS 16 1HZ LYS 16 -9.369 -13.306 -11.930 125 2HZ LYS 16 2HZ LYS 16 -8.732 -14.690 -11.194 126 3HZ LYS 16 3HZ LYS 16 -10.352 -14.276 -10.949 127 H SER 17 H SER 17 -11.641 -9.878 -8.770 128 HA SER 17 HA SER 17 -13.003 -7.578 -8.014 129 1HB SER 17 1HB SER 17 -13.428 -8.643 -5.968 130 2HB SER 17 2HB SER 17 -13.172 -9.987 -7.080 131 HG SER 17 HG SER 17 -11.918 -10.436 -5.334 132 H GLY 18 H GLY 18 -12.554 -5.829 -6.705 133 1HA GLY 18 1HA GLY 18 -10.005 -4.741 -6.660 134 2HA GLY 18 2HA GLY 18 -11.311 -4.283 -5.603 135 H ASN 19 H ASN 19 -11.480 -6.977 -4.387 136 HA ASN 19 HA ASN 19 -9.548 -6.558 -2.327 137 1HB ASN 19 1HB ASN 19 -11.950 -7.662 -2.252 138 2HB ASN 19 2HB ASN 19 -11.066 -9.145 -2.595 139 2HD2 ASN 19 2HD2 ASN 19 -10.688 -10.247 -0.789 140 1HD2 ASN 19 1HD2 ASN 19 -10.307 -9.559 0.748 141 H MET 20 H MET 20 -9.953 -8.978 -4.902 142 HA MET 20 HA MET 20 -7.668 -10.509 -4.188 143 1HB MET 20 1HB MET 20 -9.712 -10.771 -6.063 144 2HB MET 20 2HB MET 20 -8.307 -10.448 -7.029 145 1HG MET 20 1HG MET 20 -8.083 -12.656 -6.977 146 2HG MET 20 2HG MET 20 -7.232 -12.310 -5.476 147 1HE MET 20 1HE MET 20 -7.910 -13.020 -3.226 148 2HE MET 20 2HE MET 20 -9.205 -11.834 -3.207 149 3HE MET 20 3HE MET 20 -9.532 -13.500 -2.719 150 H ALA 21 H ALA 21 -8.190 -7.744 -6.316 151 HA ALA 21 HA ALA 21 -5.644 -7.667 -7.481 152 1HB ALA 21 1HB ALA 21 -7.845 -5.704 -7.092 153 2HB ALA 21 2HB ALA 21 -6.260 -5.098 -7.575 154 3HB ALA 21 3HB ALA 21 -7.091 -6.281 -8.583 155 H ALA 22 H ALA 22 -6.927 -5.746 -4.770 156 HA ALA 22 HA ALA 22 -4.558 -4.526 -4.003 157 1HB ALA 22 1HB ALA 22 -5.720 -4.723 -1.603 158 2HB ALA 22 2HB ALA 22 -6.310 -3.652 -2.866 159 3HB ALA 22 3HB ALA 22 -7.092 -5.207 -2.608 160 H ALA 23 H ALA 23 -5.826 -7.719 -3.204 161 HA ALA 23 HA ALA 23 -3.898 -8.407 -1.263 162 1HB ALA 23 1HB ALA 23 -4.609 -10.696 -1.624 163 2HB ALA 23 2HB ALA 23 -5.406 -10.241 -3.132 164 3HB ALA 23 3HB ALA 23 -6.007 -9.623 -1.597 165 H THR 24 H THR 24 -4.042 -8.937 -4.776 166 HA THR 24 HA THR 24 -1.650 -10.381 -5.031 167 HB THR 24 HB THR 24 -2.785 -8.468 -7.074 168 HG1 THR 24 HG1 THR 24 -4.499 -9.678 -6.952 169 1HG2 THR 24 1HG2 THR 24 -1.258 -11.037 -7.395 170 2HG2 THR 24 2HG2 THR 24 -1.982 -10.096 -8.698 171 3HG2 THR 24 3HG2 THR 24 -0.669 -9.411 -7.743 172 H VAL 25 H VAL 25 -2.287 -6.897 -5.108 173 HA VAL 25 HA VAL 25 0.349 -6.106 -5.786 174 HB VAL 25 HB VAL 25 -1.755 -4.543 -4.266 175 1HG1 VAL 25 1HG1 VAL 25 0.950 -3.879 -5.166 176 2HG1 VAL 25 2HG1 VAL 25 -0.284 -2.744 -5.704 177 3HG1 VAL 25 3HG1 VAL 25 -0.094 -3.090 -3.991 178 1HG2 VAL 25 1HG2 VAL 25 -1.193 -4.704 -7.222 179 2HG2 VAL 25 2HG2 VAL 25 -2.624 -5.277 -6.398 180 3HG2 VAL 25 3HG2 VAL 25 -2.291 -3.559 -6.465 181 H GLU 26 H GLU 26 -1.329 -6.246 -2.652 182 HA GLU 26 HA GLU 26 0.934 -5.444 -1.129 183 1HB GLU 26 1HB GLU 26 -0.341 -6.005 0.795 184 2HB GLU 26 2HB GLU 26 -1.369 -7.101 -0.112 185 1HG GLU 26 1HG GLU 26 -1.686 -4.631 -1.410 186 2HG GLU 26 2HG GLU 26 -2.820 -5.476 -0.362 187 H ARG 27 H ARG 27 -0.119 -8.568 -2.346 188 HA ARG 27 HA ARG 27 1.690 -10.030 -0.610 189 1HB ARG 27 1HB ARG 27 -0.438 -10.711 -2.527 190 2HB ARG 27 2HB ARG 27 0.927 -11.781 -2.620 191 1HG ARG 27 1HG ARG 27 0.194 -12.893 -0.891 192 2HG ARG 27 2HG ARG 27 0.412 -11.480 0.135 193 1HD ARG 27 1HD ARG 27 -1.784 -12.026 0.438 194 2HD ARG 27 2HD ARG 27 -1.887 -10.734 -0.733 195 HE ARG 27 HE ARG 27 -2.022 -12.596 -2.455 196 1HH1 ARG 27 1HH1 ARG 27 -3.272 -12.960 0.825 197 2HH1 ARG 27 2HH1 ARG 27 -4.431 -14.136 0.357 198 1HH2 ARG 27 1HH2 ARG 27 -3.579 -14.144 -3.027 199 2HH2 ARG 27 2HH2 ARG 27 -4.618 -14.816 -1.815 200 H GLU 28 H GLU 28 1.497 -9.398 -4.120 201 HA GLU 28 HA GLU 28 4.026 -10.593 -4.673 202 1HB GLU 28 1HB GLU 28 2.235 -8.718 -6.209 203 2HB GLU 28 2HB GLU 28 3.815 -9.159 -6.824 204 1HG GLU 28 1HG GLU 28 3.170 -11.537 -6.707 205 2HG GLU 28 2HG GLU 28 1.552 -11.043 -6.210 206 H ASN 29 H ASN 29 3.003 -7.375 -3.713 207 HA ASN 29 HA ASN 29 5.848 -6.570 -3.606 208 1HB ASN 29 1HB ASN 29 4.654 -5.407 -5.418 209 2HB ASN 29 2HB ASN 29 3.487 -4.783 -4.260 210 2HD2 ASN 29 2HD2 ASN 29 5.220 -3.259 -5.990 211 1HD2 ASN 29 1HD2 ASN 29 6.234 -2.331 -4.945 212 H ARG 30 H ARG 30 5.695 -7.486 -1.455 213 HA ARG 30 HA ARG 30 3.973 -6.471 0.534 214 1HB ARG 30 1HB ARG 30 5.579 -8.554 0.482 215 2HB ARG 30 2HB ARG 30 6.738 -7.444 1.192 216 1HG ARG 30 1HG ARG 30 4.257 -7.190 2.608 217 2HG ARG 30 2HG ARG 30 4.609 -8.902 2.409 218 1HD ARG 30 1HD ARG 30 6.079 -8.819 4.027 219 2HD ARG 30 2HD ARG 30 7.049 -7.626 3.172 220 HE ARG 30 HE ARG 30 5.107 -6.108 4.267 221 1HH1 ARG 30 1HH1 ARG 30 7.268 -8.542 5.628 222 2HH1 ARG 30 2HH1 ARG 30 7.296 -7.777 7.170 223 1HH2 ARG 30 1HH2 ARG 30 5.156 -5.159 6.330 224 2HH2 ARG 30 2HH2 ARG 30 6.103 -5.886 7.586 225 H ASN 31 H ASN 31 6.168 -4.672 -1.148 226 HA ASN 31 HA ASN 31 7.110 -3.129 1.138 227 1HB ASN 31 1HB ASN 31 8.700 -3.696 -0.639 228 2HB ASN 31 2HB ASN 31 7.708 -2.847 -1.813 229 2HD2 ASN 31 2HD2 ASN 31 8.080 -0.739 -2.129 230 1HD2 ASN 31 1HD2 ASN 31 9.071 0.247 -1.116 231 H VAL 32 H VAL 32 4.514 -3.141 -1.105 232 HA VAL 32 HA VAL 32 3.866 -0.363 -0.348 233 HB VAL 32 HB VAL 32 3.163 0.154 -2.549 234 1HG1 VAL 32 1HG1 VAL 32 5.605 0.320 -2.080 235 2HG1 VAL 32 2HG1 VAL 32 5.812 -1.293 -2.760 236 3HG1 VAL 32 3HG1 VAL 32 5.280 0.027 -3.786 237 1HG2 VAL 32 1HG2 VAL 32 3.395 -2.761 -3.033 238 2HG2 VAL 32 2HG2 VAL 32 2.147 -1.622 -3.511 239 3HG2 VAL 32 3HG2 VAL 32 3.670 -1.663 -4.387 240 H HIS 33 H HIS 33 1.521 0.156 -0.814 241 HA HIS 33 HA HIS 33 -0.167 -2.221 -0.420 242 1HB HIS 33 1HB HIS 33 -1.053 -1.476 1.521 243 2HB HIS 33 2HB HIS 33 0.424 -0.553 1.632 244 HD1 HIS 33 HD1 HIS 33 -3.184 -0.200 1.589 245 HD2 HIS 33 HD2 HIS 33 0.086 2.227 0.829 246 HE1 HIS 33 HE1 HIS 33 -4.044 2.156 1.712 247 HE2 HIS 33 HE2 HIS 33 -2.047 3.608 1.230 248 H ALA 34 H ALA 34 -2.133 -2.247 -1.416 249 HA ALA 34 HA ALA 34 -2.613 -0.052 -3.303 250 1HB ALA 34 1HB ALA 34 -3.600 -2.885 -3.382 251 2HB ALA 34 2HB ALA 34 -2.254 -2.238 -4.302 252 3HB ALA 34 3HB ALA 34 -3.878 -1.654 -4.609 253 H ILE 35 H ILE 35 -4.447 1.113 -3.265 254 HA ILE 35 HA ILE 35 -6.384 0.533 -1.117 255 HB ILE 35 HB ILE 35 -6.119 3.068 -2.715 256 1HG1 ILE 35 1HG1 ILE 35 -4.979 2.443 -0.012 257 2HG1 ILE 35 2HG1 ILE 35 -4.020 2.595 -1.472 258 1HG2 ILE 35 1HG2 ILE 35 -8.294 2.690 -1.600 259 2HG2 ILE 35 2HG2 ILE 35 -7.452 2.516 -0.060 260 3HG2 ILE 35 3HG2 ILE 35 -7.430 4.053 -0.926 261 1HD1 ILE 35 1HD1 ILE 35 -5.703 4.842 -0.378 262 2HD1 ILE 35 2HD1 ILE 35 -4.029 4.562 0.055 263 3HD1 ILE 35 3HD1 ILE 35 -4.449 4.901 -1.613 264 H VAL 36 H VAL 36 -8.198 -0.460 -1.714 265 HA VAL 36 HA VAL 36 -9.039 -0.482 -4.485 266 HB VAL 36 HB VAL 36 -10.371 -1.718 -2.080 267 1HG1 VAL 36 1HG1 VAL 36 -10.684 -2.254 -5.034 268 2HG1 VAL 36 2HG1 VAL 36 -11.433 -3.182 -3.738 269 3HG1 VAL 36 3HG1 VAL 36 -11.871 -1.499 -3.977 270 1HG2 VAL 36 1HG2 VAL 36 -8.098 -2.549 -2.312 271 2HG2 VAL 36 2HG2 VAL 36 -9.269 -3.786 -2.737 272 3HG2 VAL 36 3HG2 VAL 36 -8.390 -2.930 -4.008 273 H LEU 37 H LEU 37 -10.295 1.018 -5.331 274 HA LEU 37 HA LEU 37 -12.510 2.143 -3.764 275 1HB LEU 37 1HB LEU 37 -11.916 4.402 -4.664 276 2HB LEU 37 2HB LEU 37 -10.897 3.787 -3.402 277 HG LEU 37 HG LEU 37 -9.409 2.954 -5.451 278 1HD1 LEU 37 1HD1 LEU 37 -11.394 4.561 -6.746 279 2HD1 LEU 37 2HD1 LEU 37 -9.824 5.348 -6.893 280 3HD1 LEU 37 3HD1 LEU 37 -10.034 3.683 -7.411 281 1HD2 LEU 37 1HD2 LEU 37 -9.505 5.636 -4.128 282 2HD2 LEU 37 2HD2 LEU 37 -8.408 4.279 -3.866 283 3HD2 LEU 37 3HD2 LEU 37 -8.283 5.248 -5.331 284 H LYS 38 H LYS 38 -14.151 3.127 -5.111 285 HA LYS 38 HA LYS 38 -14.283 1.805 -7.698 286 1HB LYS 38 1HB LYS 38 -16.194 2.701 -5.713 287 2HB LYS 38 2HB LYS 38 -16.655 3.245 -7.308 288 1HG LYS 38 1HG LYS 38 -17.375 1.268 -7.903 289 2HG LYS 38 2HG LYS 38 -15.904 0.478 -7.434 290 1HD LYS 38 1HD LYS 38 -16.852 -0.418 -5.665 291 2HD LYS 38 2HD LYS 38 -17.297 1.166 -5.039 292 1HE LYS 38 1HE LYS 38 -19.380 1.126 -6.103 293 2HE LYS 38 2HE LYS 38 -18.895 -0.162 -7.171 294 1HZ LYS 38 1HZ LYS 38 -19.295 -0.459 -4.262 295 2HZ LYS 38 2HZ LYS 38 -20.382 -0.957 -5.460 296 3HZ LYS 38 3HZ LYS 38 -18.867 -1.699 -5.338 297 H GLU 39 H GLU 39 -15.131 2.867 -9.583 298 HA GLU 39 HA GLU 39 -13.596 5.005 -10.409 299 1HB GLU 39 1HB GLU 39 -15.743 3.436 -11.487 300 2HB GLU 39 2HB GLU 39 -16.093 5.116 -11.841 301 1HG GLU 39 1HG GLU 39 -13.308 4.410 -12.390 302 2HG GLU 39 2HG GLU 39 -14.460 3.417 -13.264 303 H GLY 40 H GLY 40 -13.535 7.041 -9.710 304 1HA GLY 40 1HA GLY 40 -14.726 9.160 -9.703 305 2HA GLY 40 2HA GLY 40 -16.092 8.355 -8.954 306 H SER 41 H SER 41 -13.537 6.930 -7.509 307 HA SER 41 HA SER 41 -13.911 8.288 -5.060 308 1HB SER 41 1HB SER 41 -13.192 5.944 -5.184 309 2HB SER 41 2HB SER 41 -11.672 6.457 -5.906 310 HG SER 41 HG SER 41 -12.371 6.319 -3.294 311 H ALA 42 H ALA 42 -11.746 8.946 -3.829 312 HA ALA 42 HA ALA 42 -10.713 11.250 -5.313 313 1HB ALA 42 1HB ALA 42 -9.857 11.985 -3.153 314 2HB ALA 42 2HB ALA 42 -10.381 10.468 -2.413 315 3HB ALA 42 3HB ALA 42 -11.573 11.596 -3.061 316 H MET 43 H MET 43 -9.280 10.210 -6.762 317 HA MET 43 HA MET 43 -6.956 8.911 -5.506 318 1HB MET 43 1HB MET 43 -6.526 8.046 -7.835 319 2HB MET 43 2HB MET 43 -7.868 7.346 -6.956 320 1HG MET 43 1HG MET 43 -9.451 8.660 -8.197 321 2HG MET 43 2HG MET 43 -8.155 9.499 -9.040 322 1HE MET 43 1HE MET 43 -6.132 7.792 -9.989 323 2HE MET 43 2HE MET 43 -6.433 6.243 -9.196 324 3HE MET 43 3HE MET 43 -6.548 6.368 -10.949 325 H THR 44 H THR 44 -5.487 10.437 -5.160 326 HA THR 44 HA THR 44 -5.199 12.738 -6.800 327 HB THR 44 HB THR 44 -3.307 13.292 -5.472 328 HG1 THR 44 HG1 THR 44 -2.030 11.593 -5.294 329 1HG2 THR 44 1HG2 THR 44 -5.506 13.308 -4.272 330 2HG2 THR 44 2HG2 THR 44 -5.054 11.744 -3.585 331 3HG2 THR 44 3HG2 THR 44 -4.076 13.165 -3.249 332 H LYS 45 H LYS 45 -3.434 13.285 -8.158 333 HA LYS 45 HA LYS 45 -2.662 11.102 -9.895 334 1HB LYS 45 1HB LYS 45 -2.421 14.081 -9.929 335 2HB LYS 45 2HB LYS 45 -1.390 13.147 -10.995 336 1HG LYS 45 1HG LYS 45 -2.998 12.716 -12.422 337 2HG LYS 45 2HG LYS 45 -4.138 12.237 -11.169 338 1HD LYS 45 1HD LYS 45 -3.732 15.112 -11.095 339 2HD LYS 45 2HD LYS 45 -4.106 14.594 -12.734 340 1HE LYS 45 1HE LYS 45 -5.817 13.340 -10.694 341 2HE LYS 45 2HE LYS 45 -5.918 15.094 -10.748 342 1HZ LYS 45 1HZ LYS 45 -6.255 13.320 -13.106 343 2HZ LYS 45 2HZ LYS 45 -7.518 14.024 -12.223 344 3HZ LYS 45 3HZ LYS 45 -6.440 15.006 -13.075 345 H ASP 46 H ASP 46 -1.191 12.915 -7.334 346 HA ASP 46 HA ASP 46 1.465 12.828 -7.835 347 1HB ASP 46 1HB ASP 46 -0.181 13.011 -5.495 348 2HB ASP 46 2HB ASP 46 1.137 11.910 -5.126 349 H PHE 47 H PHE 47 3.132 11.378 -7.789 350 HA PHE 47 HA PHE 47 2.384 8.581 -8.083 351 1HB PHE 47 1HB PHE 47 3.900 9.383 -9.709 352 2HB PHE 47 2HB PHE 47 4.949 10.104 -8.496 353 HD1 PHE 47 HD1 PHE 47 6.539 8.764 -7.267 354 HD2 PHE 47 HD2 PHE 47 3.907 6.972 -10.097 355 HE1 PHE 47 HE1 PHE 47 7.881 6.709 -7.215 356 HE2 PHE 47 HE2 PHE 47 5.258 4.931 -10.056 357 HZ PHE 47 HZ PHE 47 7.233 4.777 -8.596 358 H ARG 48 H ARG 48 2.596 7.056 -6.581 359 HA ARG 48 HA ARG 48 4.512 7.370 -4.382 360 1HB ARG 48 1HB ARG 48 2.836 6.838 -2.695 361 2HB ARG 48 2HB ARG 48 1.579 6.833 -3.922 362 1HG ARG 48 1HG ARG 48 3.188 9.215 -3.035 363 2HG ARG 48 2HG ARG 48 2.007 9.222 -4.345 364 1HD ARG 48 1HD ARG 48 1.112 10.066 -2.186 365 2HD ARG 48 2HD ARG 48 0.244 8.700 -2.862 366 HE ARG 48 HE ARG 48 2.176 7.745 -1.057 367 1HH1 ARG 48 1HH1 ARG 48 -0.855 9.516 -1.044 368 2HH1 ARG 48 2HH1 ARG 48 -1.305 8.931 0.510 369 1HH2 ARG 48 1HH2 ARG 48 1.558 6.992 0.988 370 2HH2 ARG 48 2HH2 ARG 48 0.073 7.544 1.686 371 H CYS 49 H CYS 49 5.662 5.568 -4.508 372 HA CYS 49 HA CYS 49 4.900 3.218 -5.786 373 1HB CYS 49 1HB CYS 49 6.856 2.186 -4.851 374 2HB CYS 49 2HB CYS 49 6.931 3.396 -3.572 375 H ASP 50 H ASP 50 4.691 4.146 -2.397 376 HA ASP 50 HA ASP 50 3.821 1.563 -1.539 377 1HB ASP 50 1HB ASP 50 5.054 2.964 -0.028 378 2HB ASP 50 2HB ASP 50 3.466 2.601 0.636 379 H ARG 51 H ARG 51 2.196 3.831 -3.338 380 HA ARG 51 HA ARG 51 -0.365 2.920 -2.233 381 1HB ARG 51 1HB ARG 51 0.192 5.332 -1.713 382 2HB ARG 51 2HB ARG 51 0.064 5.640 -3.440 383 1HG ARG 51 1HG ARG 51 -2.285 4.542 -3.213 384 2HG ARG 51 2HG ARG 51 -2.061 4.852 -1.490 385 1HD ARG 51 1HD ARG 51 -3.241 6.691 -2.390 386 2HD ARG 51 2HD ARG 51 -1.603 7.226 -2.059 387 HE ARG 51 HE ARG 51 -2.130 6.339 -4.788 388 1HH1 ARG 51 1HH1 ARG 51 -1.982 9.053 -2.579 389 2HH1 ARG 51 2HH1 ARG 51 -1.717 10.204 -3.820 390 1HH2 ARG 51 1HH2 ARG 51 -1.850 7.906 -6.425 391 2HH2 ARG 51 2HH2 ARG 51 -1.682 9.568 -6.025 392 H VAL 52 H VAL 52 -1.071 1.496 -3.660 393 HA VAL 52 HA VAL 52 -0.901 2.149 -6.540 394 HB VAL 52 HB VAL 52 -1.526 -0.513 -5.262 395 1HG1 VAL 52 1HG1 VAL 52 -1.730 0.480 -7.968 396 2HG1 VAL 52 2HG1 VAL 52 -0.599 -0.867 -7.875 397 3HG1 VAL 52 3HG1 VAL 52 -2.241 -1.054 -7.282 398 1HG2 VAL 52 1HG2 VAL 52 1.064 0.596 -6.285 399 2HG2 VAL 52 2HG2 VAL 52 0.716 -0.083 -4.704 400 3HG2 VAL 52 3HG2 VAL 52 0.781 -1.122 -6.121 401 H TRP 53 H TRP 53 -2.736 2.924 -7.420 402 HA TRP 53 HA TRP 53 -5.187 2.874 -5.925 403 1HB TRP 53 1HB TRP 53 -4.432 3.956 -8.631 404 2HB TRP 53 2HB TRP 53 -6.104 3.965 -8.095 405 HD1 TRP 53 HD1 TRP 53 -3.910 6.481 -8.627 406 HE1 TRP 53 HE1 TRP 53 -3.948 8.353 -6.862 407 HE3 TRP 53 HE3 TRP 53 -6.159 3.955 -4.828 408 HZ2 TRP 53 HZ2 TRP 53 -4.768 8.680 -4.175 409 HZ3 TRP 53 HZ3 TRP 53 -6.536 5.104 -2.701 410 HH2 TRP 53 HH2 TRP 53 -5.863 7.420 -2.378 411 H VAL 54 H VAL 54 -6.906 1.572 -6.127 412 HA VAL 54 HA VAL 54 -6.914 -0.346 -8.390 413 HB VAL 54 HB VAL 54 -7.552 -0.815 -5.485 414 1HG1 VAL 54 1HG1 VAL 54 -8.201 -2.489 -7.882 415 2HG1 VAL 54 2HG1 VAL 54 -8.065 -3.188 -6.273 416 3HG1 VAL 54 3HG1 VAL 54 -9.294 -1.978 -6.607 417 1HG2 VAL 54 1HG2 VAL 54 -5.172 -0.938 -6.256 418 2HG2 VAL 54 2HG2 VAL 54 -5.811 -2.401 -5.515 419 3HG2 VAL 54 3HG2 VAL 54 -5.653 -2.301 -7.260 420 H ILE 55 H ILE 55 -8.297 0.985 -9.559 421 HA ILE 55 HA ILE 55 -10.783 1.899 -8.462 422 HB ILE 55 HB ILE 55 -9.979 1.872 -11.361 423 1HG1 ILE 55 1HG1 ILE 55 -9.019 3.488 -9.092 424 2HG1 ILE 55 2HG1 ILE 55 -9.659 4.464 -10.400 425 1HG2 ILE 55 1HG2 ILE 55 -12.034 3.441 -9.818 426 2HG2 ILE 55 2HG2 ILE 55 -11.542 3.787 -11.472 427 3HG2 ILE 55 3HG2 ILE 55 -12.333 2.260 -11.097 428 1HD1 ILE 55 1HD1 ILE 55 -7.613 2.326 -10.851 429 2HD1 ILE 55 2HD1 ILE 55 -8.097 3.638 -11.925 430 3HD1 ILE 55 3HD1 ILE 55 -7.210 3.985 -10.443 431 H VAL 56 H VAL 56 -12.608 0.806 -8.355 432 HA VAL 56 HA VAL 56 -13.004 -1.495 -10.128 433 HB VAL 56 HB VAL 56 -14.375 -2.468 -8.266 434 1HG1 VAL 56 1HG1 VAL 56 -11.470 -2.254 -8.408 435 2HG1 VAL 56 2HG1 VAL 56 -12.040 -2.649 -6.795 436 3HG1 VAL 56 3HG1 VAL 56 -12.492 -3.660 -8.151 437 1HG2 VAL 56 1HG2 VAL 56 -14.147 0.009 -7.124 438 2HG2 VAL 56 2HG2 VAL 56 -14.696 -1.424 -6.320 439 3HG2 VAL 56 3HG2 VAL 56 -13.019 -0.923 -6.186 440 H ASN 57 H ASN 57 -15.282 -2.076 -10.490 441 HA ASN 57 HA ASN 57 -16.833 0.368 -10.968 442 1HB ASN 57 1HB ASN 57 -16.486 -1.238 -12.802 443 2HB ASN 57 2HB ASN 57 -18.180 -0.992 -12.452 444 2HD2 ASN 57 2HD2 ASN 57 -17.677 -3.139 -13.870 445 1HD2 ASN 57 1HD2 ASN 57 -17.746 -4.573 -12.912 446 H ASP 58 H ASP 58 -19.393 -0.468 -10.979 447 HA ASP 58 HA ASP 58 -20.210 -0.221 -8.369 448 1HB ASP 58 1HB ASP 58 -21.535 0.091 -10.529 449 2HB ASP 58 2HB ASP 58 -21.874 -1.636 -10.439 450 H HIS 59 H HIS 59 -19.183 -3.090 -10.033 451 HA HIS 59 HA HIS 59 -20.293 -4.821 -7.950 452 1HB HIS 59 1HB HIS 59 -19.660 -5.120 -10.787 453 2HB HIS 59 2HB HIS 59 -18.992 -6.428 -9.833 454 HD1 HIS 59 HD1 HIS 59 -20.522 -8.264 -9.215 455 HD2 HIS 59 HD2 HIS 59 -22.549 -4.831 -10.390 456 HE1 HIS 59 HE1 HIS 59 -22.952 -8.911 -9.293 457 HE2 HIS 59 HE2 HIS 59 -24.165 -6.801 -9.943 458 H GLY 60 H GLY 60 -17.847 -3.000 -7.648 459 1HA GLY 60 1HA GLY 60 -15.827 -3.132 -6.620 460 2HA GLY 60 2HA GLY 60 -16.352 -4.689 -6.012 461 H VAL 61 H VAL 61 -16.152 -4.157 -9.455 462 HA VAL 61 HA VAL 61 -13.986 -6.124 -9.607 463 HB VAL 61 HB VAL 61 -15.632 -4.940 -11.855 464 1HG1 VAL 61 1HG1 VAL 61 -13.767 -7.307 -11.687 465 2HG1 VAL 61 2HG1 VAL 61 -14.868 -7.006 -13.045 466 3HG1 VAL 61 3HG1 VAL 61 -13.588 -5.843 -12.672 467 1HG2 VAL 61 1HG2 VAL 61 -17.040 -6.120 -10.220 468 2HG2 VAL 61 2HG2 VAL 61 -16.994 -6.931 -11.780 469 3HG2 VAL 61 3HG2 VAL 61 -16.048 -7.564 -10.421 470 H VAL 62 H VAL 62 -11.975 -5.631 -10.433 471 HA VAL 62 HA VAL 62 -11.254 -2.856 -10.481 472 HB VAL 62 HB VAL 62 -9.544 -5.233 -11.228 473 1HG1 VAL 62 1HG1 VAL 62 -8.902 -2.344 -10.618 474 2HG1 VAL 62 2HG1 VAL 62 -7.700 -3.638 -10.545 475 3HG1 VAL 62 3HG1 VAL 62 -8.520 -3.286 -12.061 476 1HG2 VAL 62 1HG2 VAL 62 -10.669 -4.780 -8.755 477 2HG2 VAL 62 2HG2 VAL 62 -9.171 -5.646 -9.074 478 3HG2 VAL 62 3HG2 VAL 62 -9.131 -3.960 -8.638 479 H THR 63 H THR 63 -11.667 -1.587 -12.162 480 HA THR 63 HA THR 63 -11.801 -2.720 -14.865 481 HB THR 63 HB THR 63 -12.826 -0.658 -15.509 482 HG1 THR 63 HG1 THR 63 -12.736 1.132 -14.328 483 1HG2 THR 63 1HG2 THR 63 -13.897 -1.530 -12.833 484 2HG2 THR 63 2HG2 THR 63 -14.734 -0.468 -13.964 485 3HG2 THR 63 3HG2 THR 63 -14.375 -2.137 -14.425 486 H SER 64 H SER 64 -9.887 -0.475 -12.925 487 HA SER 64 HA SER 64 -8.233 0.152 -15.275 488 1HB SER 64 1HB SER 64 -9.173 1.814 -13.371 489 2HB SER 64 2HB SER 64 -7.620 1.389 -12.663 490 HG SER 64 HG SER 64 -7.712 3.241 -14.172 491 H VAL 65 H VAL 65 -6.002 -0.046 -15.229 492 HA VAL 65 HA VAL 65 -5.018 -2.463 -14.145 493 HB VAL 65 HB VAL 65 -3.345 -0.208 -15.225 494 1HG1 VAL 65 1HG1 VAL 65 -2.823 -2.979 -14.421 495 2HG1 VAL 65 2HG1 VAL 65 -2.229 -2.576 -16.035 496 3HG1 VAL 65 3HG1 VAL 65 -1.728 -1.620 -14.647 497 1HG2 VAL 65 1HG2 VAL 65 -5.145 -0.708 -16.812 498 2HG2 VAL 65 2HG2 VAL 65 -3.580 -1.214 -17.411 499 3HG2 VAL 65 3HG2 VAL 65 -4.690 -2.399 -16.771 500 1HB PRO 66 1HB PRO 66 -3.276 -2.847 -8.914 501 2HB PRO 66 2HB PRO 66 -4.943 -2.287 -8.998 502 1HG PRO 66 1HG PRO 66 -3.561 -4.276 -10.715 503 2HG PRO 66 2HG PRO 66 -5.195 -4.320 -10.035 504 1HD PRO 66 1HD PRO 66 -4.719 -3.674 -12.602 505 2HD PRO 66 2HD PRO 66 -6.031 -2.947 -11.671 506 H HIS 67 H HIS 67 -2.349 0.686 -10.673 507 HA HIS 67 HA HIS 67 0.262 -0.668 -10.585 508 1HB HIS 67 1HB HIS 67 1.107 0.838 -12.303 509 2HB HIS 67 2HB HIS 67 -0.285 -0.043 -12.916 510 HD1 HIS 67 HD1 HIS 67 0.426 2.480 -14.353 511 HD2 HIS 67 HD2 HIS 67 -2.137 2.445 -11.087 512 HE1 HIS 67 HE1 HIS 67 -0.943 4.582 -14.531 513 HE2 HIS 67 HE2 HIS 67 -2.535 4.488 -12.581 514 H ILE 68 H ILE 68 1.953 0.479 -9.693 515 HA ILE 68 HA ILE 68 1.497 1.937 -7.445 516 HB ILE 68 HB ILE 68 3.819 1.369 -9.143 517 1HG1 ILE 68 1HG1 ILE 68 3.508 1.702 -6.170 518 2HG1 ILE 68 2HG1 ILE 68 3.245 0.208 -7.039 519 1HG2 ILE 68 1HG2 ILE 68 3.820 3.943 -7.576 520 2HG2 ILE 68 2HG2 ILE 68 5.287 3.095 -8.051 521 3HG2 ILE 68 3HG2 ILE 68 4.189 3.649 -9.272 522 1HD1 ILE 68 1HD1 ILE 68 5.883 1.659 -6.874 523 2HD1 ILE 68 2HD1 ILE 68 5.402 0.240 -5.963 524 3HD1 ILE 68 3HD1 ILE 68 5.554 0.146 -7.707 525 H THR 69 H THR 69 0.439 3.761 -7.168 526 HA THR 69 HA THR 69 1.222 6.161 -8.566 527 HB THR 69 HB THR 69 -1.461 4.878 -9.095 528 HG1 THR 69 HG1 THR 69 0.498 5.996 -10.839 529 1HG2 THR 69 1HG2 THR 69 -0.690 7.730 -9.633 530 2HG2 THR 69 2HG2 THR 69 -2.135 6.930 -10.243 531 3HG2 THR 69 3HG2 THR 69 -1.932 7.204 -8.522 No H/Q in entry = 531 Start of MODEL 6 1 H SER 1 H SER 1 17.894 8.094 -7.247 2 HA SER 1 HA SER 1 16.107 9.463 -7.816 3 1HB SER 1 1HB SER 1 15.127 9.772 -10.072 4 2HB SER 1 2HB SER 1 16.219 8.564 -10.729 5 HG SER 1 HG SER 1 17.971 9.870 -9.912 6 H ARG 2 H ARG 2 15.043 6.403 -9.575 7 HA ARG 2 HA ARG 2 12.653 6.376 -7.863 8 1HB ARG 2 1HB ARG 2 12.818 7.442 -10.638 9 2HB ARG 2 2HB ARG 2 11.440 6.414 -10.294 10 1HG ARG 2 1HG ARG 2 10.389 7.969 -9.154 11 2HG ARG 2 2HG ARG 2 11.809 8.382 -8.194 12 1HD ARG 2 1HD ARG 2 12.653 9.710 -10.067 13 2HD ARG 2 2HD ARG 2 11.199 9.347 -10.986 14 HE ARG 2 HE ARG 2 9.970 10.454 -9.064 15 1HH1 ARG 2 1HH1 ARG 2 13.213 11.432 -10.055 16 2HH1 ARG 2 2HH1 ARG 2 13.015 13.032 -9.464 17 1HH2 ARG 2 1HH2 ARG 2 9.758 12.586 -8.300 18 2HH2 ARG 2 2HH2 ARG 2 11.076 13.698 -8.477 19 H ARG 3 H ARG 3 13.744 4.298 -7.415 20 HA ARG 3 HA ARG 3 12.727 2.248 -9.282 21 1HB ARG 3 1HB ARG 3 14.714 0.980 -9.212 22 2HB ARG 3 2HB ARG 3 15.429 1.976 -7.956 23 1HG ARG 3 1HG ARG 3 14.798 3.481 -10.403 24 2HG ARG 3 2HG ARG 3 15.891 2.144 -10.658 25 1HD ARG 3 1HD ARG 3 16.666 4.583 -9.851 26 2HD ARG 3 2HD ARG 3 16.452 3.830 -8.291 27 HE ARG 3 HE ARG 3 18.100 2.228 -8.813 28 1HH1 ARG 3 1HH1 ARG 3 17.789 4.703 -11.304 29 2HH1 ARG 3 2HH1 ARG 3 19.337 4.370 -11.968 30 1HH2 ARG 3 1HH2 ARG 3 20.144 1.815 -9.736 31 2HH2 ARG 3 2HH2 ARG 3 20.674 2.741 -11.100 32 H CYS 4 H CYS 4 11.023 2.102 -7.738 33 HA CYS 4 HA CYS 4 11.673 1.232 -5.061 34 1HB CYS 4 1HB CYS 4 9.192 1.114 -4.752 35 2HB CYS 4 2HB CYS 4 9.813 2.687 -5.236 36 1HB PRO 5 1HB PRO 5 12.027 -4.045 -3.859 37 2HB PRO 5 2HB PRO 5 10.470 -3.511 -3.221 38 1HG PRO 5 1HG PRO 5 11.822 -2.079 -2.040 39 2HG PRO 5 2HG PRO 5 13.085 -2.089 -3.284 40 1HD PRO 5 1HD PRO 5 10.561 -0.497 -3.170 41 2HD PRO 5 2HD PRO 5 12.173 -0.038 -3.727 42 H GLY 6 H GLY 6 10.143 -5.103 -5.384 43 1HA GLY 6 1HA GLY 6 8.188 -6.135 -5.907 44 2HA GLY 6 2HA GLY 6 7.401 -4.785 -5.157 45 H LYS 7 H LYS 7 6.125 -5.997 -7.167 46 HA LYS 7 HA LYS 7 6.693 -5.003 -9.761 47 1HB LYS 7 1HB LYS 7 5.332 -6.996 -9.305 48 2HB LYS 7 2HB LYS 7 4.085 -5.996 -8.632 49 1HG LYS 7 1HG LYS 7 3.674 -4.956 -10.735 50 2HG LYS 7 2HG LYS 7 5.055 -5.771 -11.466 51 1HD LYS 7 1HD LYS 7 3.025 -7.517 -10.204 52 2HD LYS 7 2HD LYS 7 2.477 -6.646 -11.613 53 1HE LYS 7 1HE LYS 7 5.070 -8.155 -11.641 54 2HE LYS 7 2HE LYS 7 3.530 -8.974 -11.890 55 1HZ LYS 7 1HZ LYS 7 3.077 -7.491 -13.753 56 2HZ LYS 7 2HZ LYS 7 4.565 -6.717 -13.519 57 3HZ LYS 7 3HZ LYS 7 4.517 -8.345 -13.983 58 H ASN 8 H ASN 8 5.612 -3.349 -10.958 59 HA ASN 8 HA ASN 8 4.571 -1.171 -9.240 60 1HB ASN 8 1HB ASN 8 6.388 -1.244 -11.594 61 2HB ASN 8 2HB ASN 8 5.275 0.116 -11.502 62 2HD2 ASN 8 2HD2 ASN 8 7.658 -1.678 -9.583 63 1HD2 ASN 8 1HD2 ASN 8 8.228 -0.303 -8.739 64 H ALA 9 H ALA 9 3.648 -3.315 -11.744 65 HA ALA 9 HA ALA 9 1.091 -1.938 -11.938 66 1HB ALA 9 1HB ALA 9 2.734 -2.603 -14.375 67 2HB ALA 9 2HB ALA 9 1.076 -1.997 -14.374 68 3HB ALA 9 3HB ALA 9 2.387 -0.984 -13.770 69 H TRP 10 H TRP 10 -0.537 -3.360 -11.922 70 HA TRP 10 HA TRP 10 0.111 -6.202 -12.460 71 1HB TRP 10 1HB TRP 10 -1.774 -4.963 -10.464 72 2HB TRP 10 2HB TRP 10 -1.764 -6.670 -10.868 73 HD1 TRP 10 HD1 TRP 10 0.125 -8.176 -9.809 74 HE1 TRP 10 HE1 TRP 10 1.931 -7.740 -8.028 75 HE3 TRP 10 HE3 TRP 10 -0.191 -3.106 -9.536 76 HZ2 TRP 10 HZ2 TRP 10 3.066 -5.527 -6.689 77 HZ3 TRP 10 HZ3 TRP 10 1.269 -1.887 -8.002 78 HH2 TRP 10 HH2 TRP 10 2.869 -3.076 -6.589 79 1HB PRO 11 1HB PRO 11 -1.898 -6.176 -17.599 80 2HB PRO 11 2HB PRO 11 -1.557 -4.466 -17.334 81 1HG PRO 11 1HG PRO 11 0.579 -5.293 -17.084 82 2HG PRO 11 2HG PRO 11 0.006 -6.857 -16.477 83 1HD PRO 11 1HD PRO 11 0.671 -5.911 -14.494 84 2HD PRO 11 2HD PRO 11 0.311 -4.256 -15.029 85 H GLU 12 H GLU 12 -1.699 -7.768 -14.857 86 HA GLU 12 HA GLU 12 -3.809 -9.293 -15.942 87 1HB GLU 12 1HB GLU 12 -1.652 -10.263 -15.388 88 2HB GLU 12 2HB GLU 12 -2.954 -11.119 -14.575 89 1HG GLU 12 1HG GLU 12 -2.237 -9.230 -12.695 90 2HG GLU 12 2HG GLU 12 -1.752 -10.920 -12.738 91 H LEU 13 H LEU 13 -3.842 -7.199 -13.264 92 HA LEU 13 HA LEU 13 -5.792 -8.670 -11.744 93 1HB LEU 13 1HB LEU 13 -4.572 -5.941 -11.519 94 2HB LEU 13 2HB LEU 13 -5.957 -6.373 -10.545 95 HG LEU 13 HG LEU 13 -3.244 -7.685 -10.481 96 1HD1 LEU 13 1HD1 LEU 13 -4.731 -5.937 -8.553 97 2HD1 LEU 13 2HD1 LEU 13 -3.307 -6.847 -8.111 98 3HD1 LEU 13 3HD1 LEU 13 -3.229 -5.600 -9.322 99 1HD2 LEU 13 1HD2 LEU 13 -5.857 -8.448 -9.239 100 2HD2 LEU 13 2HD2 LEU 13 -4.691 -9.447 -10.100 101 3HD2 LEU 13 3HD2 LEU 13 -4.330 -8.873 -8.487 102 H VAL 14 H VAL 14 -5.788 -6.423 -14.346 103 HA VAL 14 HA VAL 14 -8.239 -5.156 -14.039 104 HB VAL 14 HB VAL 14 -7.046 -6.106 -16.655 105 1HG1 VAL 14 1HG1 VAL 14 -9.049 -3.943 -15.999 106 2HG1 VAL 14 2HG1 VAL 14 -8.238 -4.099 -17.557 107 3HG1 VAL 14 3HG1 VAL 14 -9.302 -5.378 -16.993 108 1HG2 VAL 14 1HG2 VAL 14 -5.464 -4.760 -15.215 109 2HG2 VAL 14 2HG2 VAL 14 -5.868 -4.055 -16.763 110 3HG2 VAL 14 3HG2 VAL 14 -6.627 -3.449 -15.300 111 H GLY 15 H GLY 15 -10.241 -5.997 -13.822 112 1HA GLY 15 1HA GLY 15 -12.061 -7.201 -14.786 113 2HA GLY 15 2HA GLY 15 -10.947 -8.414 -15.388 114 H LYS 16 H LYS 16 -9.768 -7.869 -12.418 115 HA LYS 16 HA LYS 16 -11.315 -10.085 -11.267 116 1HB LYS 16 1HB LYS 16 -8.547 -9.130 -11.076 117 2HB LYS 16 2HB LYS 16 -9.213 -9.553 -9.524 118 1HG LYS 16 1HG LYS 16 -9.309 -11.369 -11.922 119 2HG LYS 16 2HG LYS 16 -7.984 -11.350 -10.756 120 1HD LYS 16 1HD LYS 16 -9.261 -12.199 -9.046 121 2HD LYS 16 2HD LYS 16 -10.783 -11.632 -9.736 122 1HE LYS 16 1HE LYS 16 -11.110 -13.525 -10.837 123 2HE LYS 16 2HE LYS 16 -9.475 -13.546 -11.493 124 1HZ LYS 16 1HZ LYS 16 -10.258 -14.478 -8.780 125 2HZ LYS 16 2HZ LYS 16 -9.913 -15.468 -10.110 126 3HZ LYS 16 3HZ LYS 16 -8.694 -14.516 -9.428 127 H SER 17 H SER 17 -11.118 -9.802 -8.636 128 HA SER 17 HA SER 17 -12.907 -7.580 -8.112 129 1HB SER 17 1HB SER 17 -13.381 -8.614 -6.067 130 2HB SER 17 2HB SER 17 -13.097 -9.973 -7.156 131 HG SER 17 HG SER 17 -11.898 -10.393 -5.360 132 H GLY 18 H GLY 18 -12.502 -5.819 -6.790 133 1HA GLY 18 1HA GLY 18 -9.959 -4.722 -6.712 134 2HA GLY 18 2HA GLY 18 -11.277 -4.257 -5.648 135 H ASN 19 H ASN 19 -11.505 -6.912 -4.429 136 HA ASN 19 HA ASN 19 -9.624 -6.549 -2.333 137 1HB ASN 19 1HB ASN 19 -12.025 -7.875 -2.574 138 2HB ASN 19 2HB ASN 19 -10.896 -9.223 -2.540 139 2HD2 ASN 19 2HD2 ASN 19 -12.018 -6.371 -0.809 140 1HD2 ASN 19 1HD2 ASN 19 -11.489 -6.905 0.747 141 H MET 20 H MET 20 -9.924 -8.967 -4.928 142 HA MET 20 HA MET 20 -7.607 -10.430 -4.218 143 1HB MET 20 1HB MET 20 -9.552 -11.009 -5.880 144 2HB MET 20 2HB MET 20 -8.567 -10.176 -7.066 145 1HG MET 20 1HG MET 20 -7.753 -12.226 -7.407 146 2HG MET 20 2HG MET 20 -6.678 -11.790 -6.084 147 1HE MET 20 1HE MET 20 -6.968 -12.635 -3.621 148 2HE MET 20 2HE MET 20 -7.309 -14.361 -3.502 149 3HE MET 20 3HE MET 20 -6.107 -13.776 -4.652 150 H ALA 21 H ALA 21 -8.176 -7.570 -6.166 151 HA ALA 21 HA ALA 21 -5.667 -7.405 -7.390 152 1HB ALA 21 1HB ALA 21 -7.843 -5.454 -6.810 153 2HB ALA 21 2HB ALA 21 -7.237 -6.049 -8.352 154 3HB ALA 21 3HB ALA 21 -6.301 -4.867 -7.446 155 H ALA 22 H ALA 22 -6.900 -5.565 -4.606 156 HA ALA 22 HA ALA 22 -4.507 -4.402 -3.858 157 1HB ALA 22 1HB ALA 22 -5.512 -4.191 -1.583 158 2HB ALA 22 2HB ALA 22 -6.562 -3.662 -2.893 159 3HB ALA 22 3HB ALA 22 -6.829 -5.230 -2.135 160 H ALA 23 H ALA 23 -5.821 -7.561 -3.002 161 HA ALA 23 HA ALA 23 -3.881 -8.270 -1.088 162 1HB ALA 23 1HB ALA 23 -5.992 -9.475 -1.381 163 2HB ALA 23 2HB ALA 23 -4.607 -10.564 -1.457 164 3HB ALA 23 3HB ALA 23 -5.435 -10.080 -2.940 165 H THR 24 H THR 24 -4.027 -8.768 -4.603 166 HA THR 24 HA THR 24 -1.661 -10.268 -4.848 167 HB THR 24 HB THR 24 -2.945 -8.393 -6.839 168 HG1 THR 24 HG1 THR 24 -4.435 -9.900 -6.562 169 1HG2 THR 24 1HG2 THR 24 -1.008 -10.649 -7.288 170 2HG2 THR 24 2HG2 THR 24 -1.905 -9.808 -8.549 171 3HG2 THR 24 3HG2 THR 24 -0.714 -8.938 -7.590 172 H VAL 25 H VAL 25 -2.240 -6.775 -4.938 173 HA VAL 25 HA VAL 25 0.388 -6.007 -5.637 174 HB VAL 25 HB VAL 25 -1.603 -4.432 -3.988 175 1HG1 VAL 25 1HG1 VAL 25 1.076 -3.833 -4.789 176 2HG1 VAL 25 2HG1 VAL 25 -0.029 -2.808 -5.685 177 3HG1 VAL 25 3HG1 VAL 25 -0.086 -2.826 -3.934 178 1HG2 VAL 25 1HG2 VAL 25 -1.243 -4.553 -6.979 179 2HG2 VAL 25 2HG2 VAL 25 -2.619 -5.132 -6.073 180 3HG2 VAL 25 3HG2 VAL 25 -2.284 -3.418 -6.127 181 H GLU 26 H GLU 26 -1.206 -6.289 -2.474 182 HA GLU 26 HA GLU 26 1.106 -5.526 -0.981 183 1HB GLU 26 1HB GLU 26 -0.124 -6.082 0.948 184 2HB GLU 26 2HB GLU 26 -1.156 -7.208 0.083 185 1HG GLU 26 1HG GLU 26 -1.572 -4.746 -1.205 186 2HG GLU 26 2HG GLU 26 -2.656 -5.623 -0.131 187 H ARG 27 H ARG 27 -0.095 -8.606 -2.190 188 HA ARG 27 HA ARG 27 1.707 -10.168 -0.570 189 1HB ARG 27 1HB ARG 27 -0.390 -10.704 -2.570 190 2HB ARG 27 2HB ARG 27 0.945 -11.824 -2.639 191 1HG ARG 27 1HG ARG 27 0.578 -12.665 -0.571 192 2HG ARG 27 2HG ARG 27 -0.237 -11.231 0.026 193 1HD ARG 27 1HD ARG 27 -1.858 -12.987 -0.235 194 2HD ARG 27 2HD ARG 27 -2.163 -11.725 -1.426 195 HE ARG 27 HE ARG 27 -1.865 -13.287 -3.043 196 1HH1 ARG 27 1HH1 ARG 27 -0.156 -14.399 -0.170 197 2HH1 ARG 27 2HH1 ARG 27 0.365 -15.851 -0.918 198 1HH2 ARG 27 1HH2 ARG 27 -1.201 -15.264 -3.979 199 2HH2 ARG 27 2HH2 ARG 27 -0.241 -16.370 -3.053 200 H GLU 28 H GLU 28 1.590 -9.307 -4.037 201 HA GLU 28 HA GLU 28 4.122 -10.531 -4.587 202 1HB GLU 28 1HB GLU 28 2.246 -8.758 -6.111 203 2HB GLU 28 2HB GLU 28 3.892 -8.919 -6.686 204 1HG GLU 28 1HG GLU 28 3.602 -11.370 -6.742 205 2HG GLU 28 2HG GLU 28 1.913 -11.146 -6.289 206 H ASN 29 H ASN 29 3.054 -7.262 -3.773 207 HA ASN 29 HA ASN 29 5.898 -6.463 -3.573 208 1HB ASN 29 1HB ASN 29 4.681 -5.278 -5.357 209 2HB ASN 29 2HB ASN 29 3.517 -4.691 -4.178 210 2HD2 ASN 29 2HD2 ASN 29 5.394 -3.238 -5.933 211 1HD2 ASN 29 1HD2 ASN 29 6.337 -2.264 -4.865 212 H ARG 30 H ARG 30 5.799 -7.384 -1.417 213 HA ARG 30 HA ARG 30 4.063 -6.387 0.585 214 1HB ARG 30 1HB ARG 30 5.513 -8.495 0.624 215 2HB ARG 30 2HB ARG 30 6.849 -7.450 1.058 216 1HG ARG 30 1HG ARG 30 4.929 -6.689 2.880 217 2HG ARG 30 2HG ARG 30 6.262 -7.801 3.164 218 1HD ARG 30 1HD ARG 30 3.933 -9.081 1.921 219 2HD ARG 30 2HD ARG 30 4.942 -9.577 3.260 220 HE ARG 30 HE ARG 30 3.635 -8.320 4.755 221 1HH1 ARG 30 1HH1 ARG 30 2.308 -8.338 1.485 222 2HH1 ARG 30 2HH1 ARG 30 0.744 -7.870 2.017 223 1HH2 ARG 30 1HH2 ARG 30 1.539 -7.688 5.402 224 2HH2 ARG 30 2HH2 ARG 30 0.297 -7.495 4.211 225 H ASN 31 H ASN 31 6.308 -4.632 -1.117 226 HA ASN 31 HA ASN 31 7.234 -3.052 1.148 227 1HB ASN 31 1HB ASN 31 8.832 -3.682 -0.598 228 2HB ASN 31 2HB ASN 31 7.864 -2.846 -1.802 229 2HD2 ASN 31 2HD2 ASN 31 8.558 -0.874 -2.291 230 1HD2 ASN 31 1HD2 ASN 31 9.447 0.161 -1.234 231 H VAL 32 H VAL 32 4.601 -3.111 -0.986 232 HA VAL 32 HA VAL 32 3.974 -0.318 -0.305 233 HB VAL 32 HB VAL 32 3.329 0.233 -2.511 234 1HG1 VAL 32 1HG1 VAL 32 5.776 0.326 -2.048 235 2HG1 VAL 32 2HG1 VAL 32 5.932 -1.284 -2.724 236 3HG1 VAL 32 3HG1 VAL 32 5.425 0.030 -3.744 237 1HG2 VAL 32 1HG2 VAL 32 3.442 -2.690 -2.999 238 2HG2 VAL 32 2HG2 VAL 32 2.266 -1.493 -3.503 239 3HG2 VAL 32 3HG2 VAL 32 3.800 -1.611 -4.348 240 H HIS 33 H HIS 33 1.618 0.178 -0.784 241 HA HIS 33 HA HIS 33 -0.027 -2.239 -0.386 242 1HB HIS 33 1HB HIS 33 -1.162 -1.346 1.424 243 2HB HIS 33 2HB HIS 33 0.472 -0.804 1.719 244 HD1 HIS 33 HD1 HIS 33 -2.844 0.393 1.837 245 HD2 HIS 33 HD2 HIS 33 0.774 2.009 0.649 246 HE1 HIS 33 HE1 HIS 33 -3.158 2.882 1.910 247 HE2 HIS 33 HE2 HIS 33 -1.001 3.839 1.027 248 H ALA 34 H ALA 34 -2.044 -2.292 -1.259 249 HA ALA 34 HA ALA 34 -2.629 -0.170 -3.212 250 1HB ALA 34 1HB ALA 34 -4.006 -2.002 -4.307 251 2HB ALA 34 2HB ALA 34 -2.269 -2.170 -4.370 252 3HB ALA 34 3HB ALA 34 -3.190 -3.105 -3.215 253 H ILE 35 H ILE 35 -4.479 0.955 -3.038 254 HA ILE 35 HA ILE 35 -6.361 0.173 -0.902 255 HB ILE 35 HB ILE 35 -6.185 2.830 -2.303 256 1HG1 ILE 35 1HG1 ILE 35 -4.887 1.946 0.286 257 2HG1 ILE 35 2HG1 ILE 35 -4.047 2.384 -1.200 258 1HG2 ILE 35 1HG2 ILE 35 -8.313 2.169 -1.084 259 2HG2 ILE 35 2HG2 ILE 35 -7.355 2.180 0.393 260 3HG2 ILE 35 3HG2 ILE 35 -7.552 3.651 -0.552 261 1HD1 ILE 35 1HD1 ILE 35 -5.824 4.468 -0.072 262 2HD1 ILE 35 2HD1 ILE 35 -4.399 4.048 0.838 263 3HD1 ILE 35 3HD1 ILE 35 -4.241 4.573 -0.823 264 H VAL 36 H VAL 36 -8.339 -0.541 -1.415 265 HA VAL 36 HA VAL 36 -9.129 -0.681 -4.193 266 HB VAL 36 HB VAL 36 -10.591 -1.650 -1.751 267 1HG1 VAL 36 1HG1 VAL 36 -10.927 -2.273 -4.687 268 2HG1 VAL 36 2HG1 VAL 36 -11.722 -3.144 -3.378 269 3HG1 VAL 36 3HG1 VAL 36 -12.075 -1.443 -3.639 270 1HG2 VAL 36 1HG2 VAL 36 -8.644 -3.066 -3.567 271 2HG2 VAL 36 2HG2 VAL 36 -8.430 -2.706 -1.855 272 3HG2 VAL 36 3HG2 VAL 36 -9.657 -3.862 -2.365 273 H LEU 37 H LEU 37 -10.288 0.787 -5.195 274 HA LEU 37 HA LEU 37 -12.417 2.211 -3.778 275 1HB LEU 37 1HB LEU 37 -11.493 4.323 -5.037 276 2HB LEU 37 2HB LEU 37 -10.952 3.877 -3.446 277 HG LEU 37 HG LEU 37 -9.133 2.554 -5.117 278 1HD1 LEU 37 1HD1 LEU 37 -9.756 5.259 -6.269 279 2HD1 LEU 37 2HD1 LEU 37 -8.324 4.294 -6.635 280 3HD1 LEU 37 3HD1 LEU 37 -9.925 3.699 -7.067 281 1HD2 LEU 37 1HD2 LEU 37 -9.145 4.687 -3.172 282 2HD2 LEU 37 2HD2 LEU 37 -7.937 3.464 -3.525 283 3HD2 LEU 37 3HD2 LEU 37 -7.973 4.961 -4.434 284 H LYS 38 H LYS 38 -13.944 3.229 -5.215 285 HA LYS 38 HA LYS 38 -14.132 1.773 -7.730 286 1HB LYS 38 1HB LYS 38 -16.010 3.175 -5.940 287 2HB LYS 38 2HB LYS 38 -16.402 3.263 -7.646 288 1HG LYS 38 1HG LYS 38 -16.897 1.071 -7.829 289 2HG LYS 38 2HG LYS 38 -15.723 0.595 -6.620 290 1HD LYS 38 1HD LYS 38 -17.519 0.211 -5.363 291 2HD LYS 38 2HD LYS 38 -17.379 1.928 -5.002 292 1HE LYS 38 1HE LYS 38 -18.888 1.695 -7.408 293 2HE LYS 38 2HE LYS 38 -19.503 0.496 -6.266 294 1HZ LYS 38 1HZ LYS 38 -19.176 3.386 -5.690 295 2HZ LYS 38 2HZ LYS 38 -20.632 2.626 -6.089 296 3HZ LYS 38 3HZ LYS 38 -19.839 2.226 -4.650 297 H GLU 39 H GLU 39 -14.890 2.850 -9.681 298 HA GLU 39 HA GLU 39 -13.148 4.795 -10.618 299 1HB GLU 39 1HB GLU 39 -15.942 4.293 -11.635 300 2HB GLU 39 2HB GLU 39 -14.620 5.032 -12.531 301 1HG GLU 39 1HG GLU 39 -13.826 2.431 -11.549 302 2HG GLU 39 2HG GLU 39 -15.355 2.326 -12.393 303 H GLY 40 H GLY 40 -12.950 6.923 -10.325 304 1HA GLY 40 1HA GLY 40 -13.781 9.114 -10.276 305 2HA GLY 40 2HA GLY 40 -15.358 8.527 -9.786 306 H SER 41 H SER 41 -13.212 6.876 -7.893 307 HA SER 41 HA SER 41 -13.933 8.170 -5.542 308 1HB SER 41 1HB SER 41 -13.179 6.015 -5.201 309 2HB SER 41 2HB SER 41 -11.784 6.211 -6.262 310 HG SER 41 HG SER 41 -11.502 6.208 -3.833 311 H ALA 42 H ALA 42 -13.121 9.820 -4.390 312 HA ALA 42 HA ALA 42 -11.455 11.748 -5.604 313 1HB ALA 42 1HB ALA 42 -11.496 12.868 -3.420 314 2HB ALA 42 2HB ALA 42 -13.099 12.324 -3.913 315 3HB ALA 42 3HB ALA 42 -12.199 11.420 -2.697 316 H MET 43 H MET 43 -9.581 10.465 -6.236 317 HA MET 43 HA MET 43 -7.682 10.069 -4.006 318 1HB MET 43 1HB MET 43 -7.992 8.481 -6.551 319 2HB MET 43 2HB MET 43 -6.768 8.240 -5.348 320 1HG MET 43 1HG MET 43 -9.700 7.967 -4.882 321 2HG MET 43 2HG MET 43 -8.608 6.643 -5.190 322 1HE MET 43 1HE MET 43 -10.505 8.457 -2.964 323 2HE MET 43 2HE MET 43 -10.399 7.020 -1.965 324 3HE MET 43 3HE MET 43 -9.734 8.545 -1.392 325 H THR 44 H THR 44 -5.837 11.133 -4.167 326 HA THR 44 HA THR 44 -5.401 13.107 -6.092 327 HB THR 44 HB THR 44 -3.218 13.387 -5.145 328 HG1 THR 44 HG1 THR 44 -2.146 11.627 -4.746 329 1HG2 THR 44 1HG2 THR 44 -5.261 13.819 -3.647 330 2HG2 THR 44 2HG2 THR 44 -4.766 12.345 -2.811 331 3HG2 THR 44 3HG2 THR 44 -3.668 13.715 -2.899 332 H LYS 45 H LYS 45 -3.844 13.283 -7.774 333 HA LYS 45 HA LYS 45 -3.547 10.803 -9.294 334 1HB LYS 45 1HB LYS 45 -3.336 13.728 -9.892 335 2HB LYS 45 2HB LYS 45 -2.459 12.608 -10.919 336 1HG LYS 45 1HG LYS 45 -4.361 12.666 -12.086 337 2HG LYS 45 2HG LYS 45 -4.792 11.355 -10.986 338 1HD LYS 45 1HD LYS 45 -5.567 13.558 -9.546 339 2HD LYS 45 2HD LYS 45 -5.833 14.106 -11.203 340 1HE LYS 45 1HE LYS 45 -7.040 11.819 -11.496 341 2HE LYS 45 2HE LYS 45 -7.085 11.823 -9.732 342 1HZ LYS 45 1HZ LYS 45 -8.185 13.963 -11.479 343 2HZ LYS 45 2HZ LYS 45 -9.090 12.757 -10.714 344 3HZ LYS 45 3HZ LYS 45 -8.273 13.913 -9.789 345 H ASP 46 H ASP 46 -1.656 12.934 -7.346 346 HA ASP 46 HA ASP 46 0.861 12.815 -8.197 347 1HB ASP 46 1HB ASP 46 -0.349 13.277 -5.729 348 2HB ASP 46 2HB ASP 46 0.753 11.958 -5.373 349 H PHE 47 H PHE 47 2.697 11.450 -7.925 350 HA PHE 47 HA PHE 47 2.000 8.620 -8.234 351 1HB PHE 47 1HB PHE 47 3.393 9.565 -9.952 352 2HB PHE 47 2HB PHE 47 4.547 10.154 -8.760 353 HD1 PHE 47 HD1 PHE 47 6.056 8.618 -7.610 354 HD2 PHE 47 HD2 PHE 47 3.328 7.242 -10.581 355 HE1 PHE 47 HE1 PHE 47 7.265 6.482 -7.732 356 HE2 PHE 47 HE2 PHE 47 4.545 5.121 -10.716 357 HZ PHE 47 HZ PHE 47 6.503 4.726 -9.283 358 H ARG 48 H ARG 48 2.490 7.078 -6.797 359 HA ARG 48 HA ARG 48 4.495 7.535 -4.721 360 1HB ARG 48 1HB ARG 48 1.549 7.313 -4.210 361 2HB ARG 48 2HB ARG 48 2.661 6.616 -3.049 362 1HG ARG 48 1HG ARG 48 3.482 8.620 -2.372 363 2HG ARG 48 2HG ARG 48 3.125 9.431 -3.887 364 1HD ARG 48 1HD ARG 48 0.665 9.021 -3.250 365 2HD ARG 48 2HD ARG 48 1.555 10.330 -2.540 366 HE ARG 48 HE ARG 48 1.197 7.720 -1.182 367 1HH1 ARG 48 1HH1 ARG 48 1.048 11.244 -1.094 368 2HH1 ARG 48 2HH1 ARG 48 0.692 11.285 0.585 369 1HH2 ARG 48 1HH2 ARG 48 0.721 7.829 1.041 370 2HH2 ARG 48 2HH2 ARG 48 0.502 9.370 1.801 371 H CYS 49 H CYS 49 5.729 5.810 -4.982 372 HA CYS 49 HA CYS 49 4.952 3.418 -6.146 373 1HB CYS 49 1HB CYS 49 7.315 4.359 -4.653 374 2HB CYS 49 2HB CYS 49 7.107 2.617 -4.715 375 H ASP 50 H ASP 50 4.983 4.371 -2.786 376 HA ASP 50 HA ASP 50 4.418 1.746 -1.814 377 1HB ASP 50 1HB ASP 50 4.090 2.840 0.361 378 2HB ASP 50 2HB ASP 50 5.624 3.238 -0.404 379 H ARG 51 H ARG 51 2.493 3.785 -3.535 380 HA ARG 51 HA ARG 51 0.089 2.731 -2.235 381 1HB ARG 51 1HB ARG 51 0.552 5.198 -1.827 382 2HB ARG 51 2HB ARG 51 0.259 5.440 -3.545 383 1HG ARG 51 1HG ARG 51 -1.999 4.311 -3.144 384 2HG ARG 51 2HG ARG 51 -1.648 4.491 -1.422 385 1HD ARG 51 1HD ARG 51 -2.981 6.337 -2.171 386 2HD ARG 51 2HD ARG 51 -1.378 6.895 -1.746 387 HE ARG 51 HE ARG 51 -1.818 6.304 -4.571 388 1HH1 ARG 51 1HH1 ARG 51 -1.794 8.777 -2.058 389 2HH1 ARG 51 2HH1 ARG 51 -1.575 10.058 -3.185 390 1HH2 ARG 51 1HH2 ARG 51 -1.544 8.061 -6.025 391 2HH2 ARG 51 2HH2 ARG 51 -1.416 9.660 -5.410 392 H VAL 52 H VAL 52 -1.255 1.683 -3.531 393 HA VAL 52 HA VAL 52 -1.036 2.099 -6.457 394 HB VAL 52 HB VAL 52 -1.541 -0.541 -5.100 395 1HG1 VAL 52 1HG1 VAL 52 -2.153 0.308 -7.704 396 2HG1 VAL 52 2HG1 VAL 52 -0.703 -0.674 -7.854 397 3HG1 VAL 52 3HG1 VAL 52 -2.133 -1.332 -7.078 398 1HG2 VAL 52 1HG2 VAL 52 0.969 0.623 -6.227 399 2HG2 VAL 52 2HG2 VAL 52 0.705 -0.124 -4.664 400 3HG2 VAL 52 3HG2 VAL 52 0.737 -1.103 -6.117 401 H TRP 53 H TRP 53 -2.919 2.896 -7.214 402 HA TRP 53 HA TRP 53 -5.314 2.713 -5.629 403 1HB TRP 53 1HB TRP 53 -4.754 3.903 -8.340 404 2HB TRP 53 2HB TRP 53 -6.374 3.870 -7.664 405 HD1 TRP 53 HD1 TRP 53 -4.438 6.483 -8.367 406 HE1 TRP 53 HE1 TRP 53 -4.258 8.293 -6.546 407 HE3 TRP 53 HE3 TRP 53 -5.925 3.748 -4.329 408 HZ2 TRP 53 HZ2 TRP 53 -4.634 8.508 -3.768 409 HZ3 TRP 53 HZ3 TRP 53 -5.994 4.834 -2.156 410 HH2 TRP 53 HH2 TRP 53 -5.352 7.152 -1.852 411 H VAL 54 H VAL 54 -6.983 1.372 -5.827 412 HA VAL 54 HA VAL 54 -6.917 -0.571 -8.069 413 HB VAL 54 HB VAL 54 -7.804 -0.882 -5.217 414 1HG1 VAL 54 1HG1 VAL 54 -8.409 -2.579 -7.595 415 2HG1 VAL 54 2HG1 VAL 54 -8.293 -3.294 -5.990 416 3HG1 VAL 54 3HG1 VAL 54 -9.488 -2.053 -6.308 417 1HG2 VAL 54 1HG2 VAL 54 -5.409 -1.129 -5.636 418 2HG2 VAL 54 2HG2 VAL 54 -6.158 -2.634 -5.105 419 3HG2 VAL 54 3HG2 VAL 54 -5.773 -2.394 -6.810 420 H ILE 55 H ILE 55 -8.129 0.908 -9.345 421 HA ILE 55 HA ILE 55 -10.684 1.829 -8.423 422 HB ILE 55 HB ILE 55 -9.698 1.909 -11.257 423 1HG1 ILE 55 1HG1 ILE 55 -9.386 4.223 -9.371 424 2HG1 ILE 55 2HG1 ILE 55 -8.193 2.949 -9.296 425 1HG2 ILE 55 1HG2 ILE 55 -11.711 3.543 -9.710 426 2HG2 ILE 55 2HG2 ILE 55 -11.162 3.922 -11.345 427 3HG2 ILE 55 3HG2 ILE 55 -12.026 2.427 -11.032 428 1HD1 ILE 55 1HD1 ILE 55 -8.889 4.423 -11.809 429 2HD1 ILE 55 2HD1 ILE 55 -7.561 4.831 -10.724 430 3HD1 ILE 55 3HD1 ILE 55 -7.568 3.281 -11.559 431 H VAL 56 H VAL 56 -12.502 0.738 -8.456 432 HA VAL 56 HA VAL 56 -12.849 -1.426 -10.408 433 HB VAL 56 HB VAL 56 -14.092 -2.669 -8.723 434 1HG1 VAL 56 1HG1 VAL 56 -11.248 -2.121 -8.552 435 2HG1 VAL 56 2HG1 VAL 56 -11.910 -2.633 -7.009 436 3HG1 VAL 56 3HG1 VAL 56 -12.115 -3.638 -8.430 437 1HG2 VAL 56 1HG2 VAL 56 -13.408 -0.359 -6.931 438 2HG2 VAL 56 2HG2 VAL 56 -14.991 -1.011 -7.332 439 3HG2 VAL 56 3HG2 VAL 56 -13.898 -1.930 -6.316 440 H ASN 57 H ASN 57 -15.145 -2.030 -10.731 441 HA ASN 57 HA ASN 57 -16.704 0.393 -11.172 442 1HB ASN 57 1HB ASN 57 -18.234 -1.082 -12.411 443 2HB ASN 57 2HB ASN 57 -16.571 -1.278 -12.939 444 2HD2 ASN 57 2HD2 ASN 57 -17.228 -3.311 -13.817 445 1HD2 ASN 57 1HD2 ASN 57 -17.404 -4.680 -12.785 446 H ASP 58 H ASP 58 -19.264 -0.214 -10.892 447 HA ASP 58 HA ASP 58 -19.744 0.027 -8.177 448 1HB ASP 58 1HB ASP 58 -21.231 0.562 -10.286 449 2HB ASP 58 2HB ASP 58 -21.910 -1.024 -9.934 450 H HIS 59 H HIS 59 -19.204 -2.796 -10.016 451 HA HIS 59 HA HIS 59 -20.523 -4.552 -8.126 452 1HB HIS 59 1HB HIS 59 -20.255 -4.788 -10.756 453 2HB HIS 59 2HB HIS 59 -18.740 -5.553 -10.318 454 HD1 HIS 59 HD1 HIS 59 -18.900 -7.794 -8.958 455 HD2 HIS 59 HD2 HIS 59 -22.533 -6.273 -10.284 456 HE1 HIS 59 HE1 HIS 59 -20.550 -9.674 -8.704 457 HE2 HIS 59 HE2 HIS 59 -22.755 -8.707 -9.442 458 H GLY 60 H GLY 60 -17.379 -3.196 -8.630 459 1HA GLY 60 1HA GLY 60 -15.747 -3.309 -6.926 460 2HA GLY 60 2HA GLY 60 -16.329 -4.894 -6.462 461 H VAL 61 H VAL 61 -15.981 -4.206 -9.843 462 HA VAL 61 HA VAL 61 -13.782 -6.120 -9.998 463 HB VAL 61 HB VAL 61 -15.373 -4.912 -12.253 464 1HG1 VAL 61 1HG1 VAL 61 -13.579 -7.319 -12.125 465 2HG1 VAL 61 2HG1 VAL 61 -14.558 -6.854 -13.517 466 3HG1 VAL 61 3HG1 VAL 61 -13.254 -5.808 -12.970 467 1HG2 VAL 61 1HG2 VAL 61 -16.866 -6.122 -10.746 468 2HG2 VAL 61 2HG2 VAL 61 -16.678 -6.982 -12.265 469 3HG2 VAL 61 3HG2 VAL 61 -15.815 -7.529 -10.826 470 H VAL 62 H VAL 62 -11.759 -5.519 -10.594 471 HA VAL 62 HA VAL 62 -11.072 -2.766 -10.619 472 HB VAL 62 HB VAL 62 -9.348 -5.091 -11.483 473 1HG1 VAL 62 1HG1 VAL 62 -8.747 -2.557 -11.943 474 2HG1 VAL 62 2HG1 VAL 62 -8.287 -2.588 -10.246 475 3HG1 VAL 62 3HG1 VAL 62 -7.560 -3.708 -11.389 476 1HG2 VAL 62 1HG2 VAL 62 -9.727 -3.862 -8.754 477 2HG2 VAL 62 2HG2 VAL 62 -10.180 -5.493 -9.245 478 3HG2 VAL 62 3HG2 VAL 62 -8.504 -5.027 -9.197 479 H THR 63 H THR 63 -11.555 -1.463 -12.268 480 HA THR 63 HA THR 63 -11.700 -2.522 -14.993 481 HB THR 63 HB THR 63 -12.684 -0.388 -15.574 482 HG1 THR 63 HG1 THR 63 -12.227 0.399 -12.868 483 1HG2 THR 63 1HG2 THR 63 -13.826 -1.481 -13.012 484 2HG2 THR 63 2HG2 THR 63 -14.631 -0.322 -14.066 485 3HG2 THR 63 3HG2 THR 63 -14.255 -1.938 -14.662 486 H SER 64 H SER 64 -9.670 -0.457 -13.011 487 HA SER 64 HA SER 64 -8.042 0.212 -15.379 488 1HB SER 64 1HB SER 64 -7.865 1.416 -12.613 489 2HB SER 64 2HB SER 64 -7.113 2.001 -14.099 490 HG SER 64 HG SER 64 -9.850 2.010 -13.383 491 H VAL 65 H VAL 65 -5.842 -0.145 -15.379 492 HA VAL 65 HA VAL 65 -4.952 -2.565 -14.244 493 HB VAL 65 HB VAL 65 -3.257 -0.349 -15.377 494 1HG1 VAL 65 1HG1 VAL 65 -2.645 -3.026 -14.366 495 2HG1 VAL 65 2HG1 VAL 65 -2.064 -2.744 -16.011 496 3HG1 VAL 65 3HG1 VAL 65 -1.597 -1.659 -14.712 497 1HG2 VAL 65 1HG2 VAL 65 -5.131 -1.156 -16.890 498 2HG2 VAL 65 2HG2 VAL 65 -3.499 -1.335 -17.501 499 3HG2 VAL 65 3HG2 VAL 65 -4.342 -2.727 -16.857 500 1HB PRO 66 1HB PRO 66 -3.089 -3.482 -9.629 501 2HB PRO 66 2HB PRO 66 -4.236 -2.496 -8.733 502 1HG PRO 66 1HG PRO 66 -5.028 -4.534 -10.213 503 2HG PRO 66 2HG PRO 66 -5.993 -3.101 -10.043 504 1HD PRO 66 1HD PRO 66 -5.860 -3.138 -12.349 505 2HD PRO 66 2HD PRO 66 -4.322 -3.969 -12.346 506 H HIS 67 H HIS 67 -2.369 0.555 -10.732 507 HA HIS 67 HA HIS 67 0.288 -0.708 -10.702 508 1HB HIS 67 1HB HIS 67 -0.219 0.071 -12.967 509 2HB HIS 67 2HB HIS 67 1.073 1.027 -12.248 510 HD1 HIS 67 HD1 HIS 67 0.000 2.534 -14.398 511 HD2 HIS 67 HD2 HIS 67 -2.055 2.439 -10.793 512 HE1 HIS 67 HE1 HIS 67 -1.499 4.554 -14.409 513 HE2 HIS 67 HE2 HIS 67 -2.787 4.419 -12.250 514 H ILE 68 H ILE 68 1.998 0.814 -10.107 515 HA ILE 68 HA ILE 68 1.449 1.926 -7.584 516 HB ILE 68 HB ILE 68 3.767 1.388 -9.242 517 1HG1 ILE 68 1HG1 ILE 68 3.448 1.884 -6.294 518 2HG1 ILE 68 2HG1 ILE 68 3.264 0.333 -7.086 519 1HG2 ILE 68 1HG2 ILE 68 3.787 4.056 -7.844 520 2HG2 ILE 68 2HG2 ILE 68 5.221 3.181 -8.323 521 3HG2 ILE 68 3HG2 ILE 68 4.089 3.655 -9.531 522 1HD1 ILE 68 1HD1 ILE 68 5.819 1.543 -7.660 523 2HD1 ILE 68 2HD1 ILE 68 5.599 1.250 -5.972 524 3HD1 ILE 68 3HD1 ILE 68 5.431 -0.048 -7.111 525 H THR 69 H THR 69 0.186 3.638 -7.341 526 HA THR 69 HA THR 69 0.900 6.142 -8.675 527 HB THR 69 HB THR 69 -1.816 4.829 -8.891 528 HG1 THR 69 HG1 THR 69 0.033 5.746 -10.862 529 1HG2 THR 69 1HG2 THR 69 -1.046 7.671 -9.490 530 2HG2 THR 69 2HG2 THR 69 -2.453 6.878 -10.186 531 3HG2 THR 69 3HG2 THR 69 -2.340 7.098 -8.453 No H/Q in entry = 531 Start of MODEL 7 1 H SER 1 H SER 1 18.901 7.528 -10.285 2 HA SER 1 HA SER 1 17.938 4.953 -11.339 3 1HB SER 1 1HB SER 1 18.796 5.767 -8.493 4 2HB SER 1 2HB SER 1 18.347 4.126 -8.935 5 HG SER 1 HG SER 1 20.415 5.643 -10.186 6 H ARG 2 H ARG 2 15.956 4.068 -11.341 7 HA ARG 2 HA ARG 2 13.723 5.126 -9.716 8 1HB ARG 2 1HB ARG 2 14.337 5.595 -12.566 9 2HB ARG 2 2HB ARG 2 12.684 5.096 -12.272 10 1HG ARG 2 1HG ARG 2 12.114 6.970 -11.162 11 2HG ARG 2 2HG ARG 2 13.737 7.249 -10.532 12 1HD ARG 2 1HD ARG 2 13.869 8.843 -12.063 13 2HD ARG 2 2HD ARG 2 14.150 7.555 -13.227 14 HE ARG 2 HE ARG 2 11.399 7.837 -13.033 15 1HH1 ARG 2 1HH1 ARG 2 14.127 9.845 -13.967 16 2HH1 ARG 2 2HH1 ARG 2 13.197 10.774 -15.082 17 1HH2 ARG 2 1HH2 ARG 2 10.190 9.096 -14.497 18 2HH2 ARG 2 2HH2 ARG 2 10.976 10.345 -15.405 19 H ARG 3 H ARG 3 14.191 2.846 -8.915 20 HA ARG 3 HA ARG 3 12.230 1.101 -10.211 21 1HB ARG 3 1HB ARG 3 14.856 0.674 -10.797 22 2HB ARG 3 2HB ARG 3 14.713 -0.323 -9.364 23 1HG ARG 3 1HG ARG 3 13.022 -0.500 -11.848 24 2HG ARG 3 2HG ARG 3 14.317 -1.601 -11.373 25 1HD ARG 3 1HD ARG 3 12.533 -1.491 -9.175 26 2HD ARG 3 2HD ARG 3 11.550 -1.580 -10.629 27 HE ARG 3 HE ARG 3 13.748 -3.483 -10.390 28 1HH1 ARG 3 1HH1 ARG 3 10.303 -2.891 -9.952 29 2HH1 ARG 3 2HH1 ARG 3 9.916 -4.568 -9.960 30 1HH2 ARG 3 1HH2 ARG 3 13.189 -5.687 -10.393 31 2HH2 ARG 3 2HH2 ARG 3 11.530 -6.154 -10.207 32 H CYS 4 H CYS 4 10.926 1.518 -8.430 33 HA CYS 4 HA CYS 4 11.815 1.165 -5.756 34 1HB CYS 4 1HB CYS 4 9.042 1.221 -6.951 35 2HB CYS 4 2HB CYS 4 9.342 1.141 -5.217 36 1HB PRO 5 1HB PRO 5 10.805 -3.432 -2.712 37 2HB PRO 5 2HB PRO 5 12.452 -2.995 -3.166 38 1HG PRO 5 1HG PRO 5 10.205 -1.236 -2.362 39 2HG PRO 5 2HG PRO 5 11.894 -1.145 -1.873 40 1HD PRO 5 1HD PRO 5 10.834 0.482 -3.742 41 2HD PRO 5 2HD PRO 5 12.509 -0.099 -3.844 42 H GLY 6 H GLY 6 10.242 -4.625 -6.064 43 1HA GLY 6 1HA GLY 6 8.216 -5.821 -5.916 44 2HA GLY 6 2HA GLY 6 7.453 -4.448 -5.180 45 H LYS 7 H LYS 7 6.278 -5.837 -7.250 46 HA LYS 7 HA LYS 7 6.786 -4.843 -9.822 47 1HB LYS 7 1HB LYS 7 5.439 -6.826 -9.302 48 2HB LYS 7 2HB LYS 7 4.182 -5.809 -8.664 49 1HG LYS 7 1HG LYS 7 3.745 -4.862 -10.796 50 2HG LYS 7 2HG LYS 7 5.148 -5.662 -11.504 51 1HD LYS 7 1HD LYS 7 2.943 -7.234 -10.220 52 2HD LYS 7 2HD LYS 7 2.781 -6.681 -11.870 53 1HE LYS 7 1HE LYS 7 4.405 -8.077 -12.631 54 2HE LYS 7 2HE LYS 7 5.280 -8.103 -11.100 55 1HZ LYS 7 1HZ LYS 7 3.540 -9.503 -10.171 56 2HZ LYS 7 2HZ LYS 7 2.719 -9.508 -11.663 57 3HZ LYS 7 3HZ LYS 7 4.232 -10.215 -11.548 58 H ASN 8 H ASN 8 5.883 -3.150 -11.027 59 HA ASN 8 HA ASN 8 4.859 -0.927 -9.383 60 1HB ASN 8 1HB ASN 8 6.975 -0.869 -10.958 61 2HB ASN 8 2HB ASN 8 5.783 -0.577 -12.216 62 2HD2 ASN 8 2HD2 ASN 8 7.604 0.781 -9.687 63 1HD2 ASN 8 1HD2 ASN 8 6.888 2.352 -9.727 64 H ALA 9 H ALA 9 3.757 -3.145 -11.764 65 HA ALA 9 HA ALA 9 1.204 -1.792 -11.841 66 1HB ALA 9 1HB ALA 9 2.731 -2.299 -14.389 67 2HB ALA 9 2HB ALA 9 1.074 -1.699 -14.272 68 3HB ALA 9 3HB ALA 9 2.413 -0.718 -13.677 69 H TRP 10 H TRP 10 -0.434 -3.218 -11.883 70 HA TRP 10 HA TRP 10 0.256 -6.033 -12.516 71 1HB TRP 10 1HB TRP 10 -1.708 -4.881 -10.554 72 2HB TRP 10 2HB TRP 10 -1.655 -6.576 -11.009 73 HD1 TRP 10 HD1 TRP 10 0.170 -8.083 -9.923 74 HE1 TRP 10 HE1 TRP 10 1.920 -7.707 -8.078 75 HE3 TRP 10 HE3 TRP 10 -0.092 -2.999 -9.537 76 HZ2 TRP 10 HZ2 TRP 10 3.032 -5.546 -6.663 77 HZ3 TRP 10 HZ3 TRP 10 1.343 -1.845 -7.921 78 HH2 TRP 10 HH2 TRP 10 2.877 -3.102 -6.501 79 1HB PRO 11 1HB PRO 11 -1.692 -6.336 -17.643 80 2HB PRO 11 2HB PRO 11 -1.245 -4.639 -17.491 81 1HG PRO 11 1HG PRO 11 0.135 -7.057 -16.428 82 2HG PRO 11 2HG PRO 11 0.825 -5.578 -17.123 83 1HD PRO 11 1HD PRO 11 0.823 -6.013 -14.492 84 2HD PRO 11 2HD PRO 11 0.577 -4.385 -15.155 85 H GLU 12 H GLU 12 -1.638 -7.800 -15.019 86 HA GLU 12 HA GLU 12 -3.891 -9.156 -16.005 87 1HB GLU 12 1HB GLU 12 -1.779 -10.264 -15.529 88 2HB GLU 12 2HB GLU 12 -3.116 -11.050 -14.706 89 1HG GLU 12 1HG GLU 12 -2.273 -9.297 -12.779 90 2HG GLU 12 2HG GLU 12 -1.823 -10.990 -12.917 91 H LEU 13 H LEU 13 -3.801 -7.023 -13.375 92 HA LEU 13 HA LEU 13 -5.740 -8.453 -11.785 93 1HB LEU 13 1HB LEU 13 -4.411 -5.789 -11.579 94 2HB LEU 13 2HB LEU 13 -5.802 -6.134 -10.582 95 HG LEU 13 HG LEU 13 -3.123 -7.513 -10.539 96 1HD1 LEU 13 1HD1 LEU 13 -4.567 -5.619 -8.770 97 2HD1 LEU 13 2HD1 LEU 13 -3.617 -6.881 -8.005 98 3HD1 LEU 13 3HD1 LEU 13 -2.864 -5.760 -9.099 99 1HD2 LEU 13 1HD2 LEU 13 -5.742 -8.372 -9.370 100 2HD2 LEU 13 2HD2 LEU 13 -4.586 -9.300 -10.319 101 3HD2 LEU 13 3HD2 LEU 13 -4.206 -8.874 -8.659 102 H VAL 14 H VAL 14 -5.793 -6.275 -14.428 103 HA VAL 14 HA VAL 14 -8.227 -4.967 -14.006 104 HB VAL 14 HB VAL 14 -7.096 -5.892 -16.661 105 1HG1 VAL 14 1HG1 VAL 14 -9.144 -3.783 -15.968 106 2HG1 VAL 14 2HG1 VAL 14 -8.370 -3.939 -17.544 107 3HG1 VAL 14 3HG1 VAL 14 -9.389 -5.238 -16.937 108 1HG2 VAL 14 1HG2 VAL 14 -5.495 -4.532 -15.339 109 2HG2 VAL 14 2HG2 VAL 14 -6.048 -3.706 -16.787 110 3HG2 VAL 14 3HG2 VAL 14 -6.711 -3.278 -15.213 111 H GLY 15 H GLY 15 -10.183 -5.852 -13.645 112 1HA GLY 15 1HA GLY 15 -12.049 -7.044 -14.555 113 2HA GLY 15 2HA GLY 15 -10.959 -8.256 -15.201 114 H LYS 16 H LYS 16 -9.581 -7.792 -12.348 115 HA LYS 16 HA LYS 16 -11.086 -9.965 -11.113 116 1HB LYS 16 1HB LYS 16 -8.568 -10.033 -11.376 117 2HB LYS 16 2HB LYS 16 -8.475 -8.734 -10.210 118 1HG LYS 16 1HG LYS 16 -9.552 -10.160 -8.544 119 2HG LYS 16 2HG LYS 16 -8.053 -10.834 -9.133 120 1HD LYS 16 1HD LYS 16 -10.761 -11.650 -10.220 121 2HD LYS 16 2HD LYS 16 -9.962 -12.451 -8.884 122 1HE LYS 16 1HE LYS 16 -7.924 -12.504 -10.608 123 2HE LYS 16 2HE LYS 16 -9.162 -13.754 -10.529 124 1HZ LYS 16 1HZ LYS 16 -10.365 -12.266 -12.261 125 2HZ LYS 16 2HZ LYS 16 -8.817 -11.633 -12.528 126 3HZ LYS 16 3HZ LYS 16 -9.114 -13.278 -12.744 127 H SER 17 H SER 17 -11.513 -9.886 -8.758 128 HA SER 17 HA SER 17 -12.969 -7.588 -8.072 129 1HB SER 17 1HB SER 17 -13.143 -10.023 -7.156 130 2HB SER 17 2HB SER 17 -13.510 -8.672 -6.083 131 HG SER 17 HG SER 17 -12.107 -10.154 -5.059 132 H GLY 18 H GLY 18 -12.554 -5.849 -6.728 133 1HA GLY 18 1HA GLY 18 -9.992 -4.786 -6.626 134 2HA GLY 18 2HA GLY 18 -11.329 -4.310 -5.607 135 H ASN 19 H ASN 19 -11.564 -6.995 -4.390 136 HA ASN 19 HA ASN 19 -9.711 -6.595 -2.255 137 1HB ASN 19 1HB ASN 19 -12.133 -8.013 -2.623 138 2HB ASN 19 2HB ASN 19 -10.938 -9.237 -2.221 139 2HD2 ASN 19 2HD2 ASN 19 -9.321 -8.164 -0.429 140 1HD2 ASN 19 1HD2 ASN 19 -10.200 -7.627 0.955 141 H MET 20 H MET 20 -10.071 -9.123 -4.741 142 HA MET 20 HA MET 20 -7.797 -10.603 -3.955 143 1HB MET 20 1HB MET 20 -9.623 -11.438 -5.449 144 2HB MET 20 2HB MET 20 -9.000 -10.403 -6.711 145 1HG MET 20 1HG MET 20 -6.818 -11.620 -6.556 146 2HG MET 20 2HG MET 20 -8.179 -12.569 -7.138 147 1HE MET 20 1HE MET 20 -5.176 -12.785 -5.289 148 2HE MET 20 2HE MET 20 -5.403 -14.331 -4.469 149 3HE MET 20 3HE MET 20 -5.662 -14.209 -6.210 150 H ALA 21 H ALA 21 -8.269 -7.955 -6.254 151 HA ALA 21 HA ALA 21 -5.698 -7.925 -7.352 152 1HB ALA 21 1HB ALA 21 -7.829 -5.855 -7.022 153 2HB ALA 21 2HB ALA 21 -6.265 -5.413 -7.692 154 3HB ALA 21 3HB ALA 21 -7.255 -6.626 -8.503 155 H ALA 22 H ALA 22 -7.044 -5.993 -4.693 156 HA ALA 22 HA ALA 22 -4.747 -4.657 -3.953 157 1HB ALA 22 1HB ALA 22 -6.907 -5.681 -2.113 158 2HB ALA 22 2HB ALA 22 -6.951 -4.166 -3.012 159 3HB ALA 22 3HB ALA 22 -5.755 -4.397 -1.738 160 H ALA 23 H ALA 23 -5.872 -7.862 -2.929 161 HA ALA 23 HA ALA 23 -3.824 -8.395 -1.079 162 1HB ALA 23 1HB ALA 23 -5.867 -9.724 -1.242 163 2HB ALA 23 2HB ALA 23 -4.430 -10.742 -1.335 164 3HB ALA 23 3HB ALA 23 -5.342 -10.363 -2.798 165 H THR 24 H THR 24 -4.052 -9.045 -4.563 166 HA THR 24 HA THR 24 -1.637 -10.437 -4.838 167 HB THR 24 HB THR 24 -2.703 -8.598 -6.982 168 HG1 THR 24 HG1 THR 24 -3.843 -11.074 -6.155 169 1HG2 THR 24 1HG2 THR 24 -1.550 -11.376 -7.063 170 2HG2 THR 24 2HG2 THR 24 -2.160 -10.472 -8.449 171 3HG2 THR 24 3HG2 THR 24 -0.743 -9.890 -7.572 172 H VAL 25 H VAL 25 -2.344 -6.969 -5.013 173 HA VAL 25 HA VAL 25 0.273 -6.163 -5.767 174 HB VAL 25 HB VAL 25 -1.810 -4.552 -4.284 175 1HG1 VAL 25 1HG1 VAL 25 0.858 -3.914 -5.155 176 2HG1 VAL 25 2HG1 VAL 25 -0.314 -2.932 -6.028 177 3HG1 VAL 25 3HG1 VAL 25 -0.303 -2.943 -4.278 178 1HG2 VAL 25 1HG2 VAL 25 -1.424 -5.065 -7.229 179 2HG2 VAL 25 2HG2 VAL 25 -2.856 -5.340 -6.252 180 3HG2 VAL 25 3HG2 VAL 25 -2.355 -3.703 -6.603 181 H GLU 26 H GLU 26 -1.366 -6.135 -2.595 182 HA GLU 26 HA GLU 26 0.933 -5.239 -1.175 183 1HB GLU 26 1HB GLU 26 -1.386 -6.802 -0.028 184 2HB GLU 26 2HB GLU 26 -0.289 -5.714 0.818 185 1HG GLU 26 1HG GLU 26 -1.299 -4.043 -1.062 186 2HG GLU 26 2HG GLU 26 -2.653 -5.135 -0.832 187 H ARG 27 H ARG 27 -0.070 -8.380 -2.300 188 HA ARG 27 HA ARG 27 1.710 -9.796 -0.486 189 1HB ARG 27 1HB ARG 27 -0.169 -10.618 -2.684 190 2HB ARG 27 2HB ARG 27 1.047 -11.731 -2.104 191 1HG ARG 27 1HG ARG 27 -0.054 -10.873 0.251 192 2HG ARG 27 2HG ARG 27 -1.440 -10.842 -0.831 193 1HD ARG 27 1HD ARG 27 0.202 -13.261 -1.102 194 2HD ARG 27 2HD ARG 27 -0.467 -13.016 0.495 195 HE ARG 27 HE ARG 27 -2.085 -13.073 -1.982 196 1HH1 ARG 27 1HH1 ARG 27 -1.683 -13.883 1.424 197 2HH1 ARG 27 2HH1 ARG 27 -3.210 -14.657 1.525 198 1HH2 ARG 27 1HH2 ARG 27 -4.098 -14.122 -1.806 199 2HH2 ARG 27 2HH2 ARG 27 -4.603 -14.761 -0.278 200 H GLU 28 H GLU 28 1.503 -9.384 -4.038 201 HA GLU 28 HA GLU 28 4.048 -10.524 -4.540 202 1HB GLU 28 1HB GLU 28 2.141 -8.839 -6.116 203 2HB GLU 28 2HB GLU 28 3.782 -8.974 -6.702 204 1HG GLU 28 1HG GLU 28 3.620 -11.351 -6.854 205 2HG GLU 28 2HG GLU 28 2.018 -11.333 -6.117 206 H ASN 29 H ASN 29 2.994 -7.288 -3.689 207 HA ASN 29 HA ASN 29 5.828 -6.443 -3.621 208 1HB ASN 29 1HB ASN 29 4.618 -5.351 -5.445 209 2HB ASN 29 2HB ASN 29 3.422 -4.741 -4.313 210 2HD2 ASN 29 2HD2 ASN 29 5.042 -3.169 -6.041 211 1HD2 ASN 29 1HD2 ASN 29 6.106 -2.226 -5.067 212 H ARG 30 H ARG 30 5.800 -7.239 -1.450 213 HA ARG 30 HA ARG 30 4.065 -6.299 0.557 214 1HB ARG 30 1HB ARG 30 6.542 -7.835 0.396 215 2HB ARG 30 2HB ARG 30 6.524 -6.807 1.815 216 1HG ARG 30 1HG ARG 30 4.044 -8.355 1.298 217 2HG ARG 30 2HG ARG 30 5.490 -9.274 1.718 218 1HD ARG 30 1HD ARG 30 4.595 -6.900 3.337 219 2HD ARG 30 2HD ARG 30 3.984 -8.530 3.619 220 HE ARG 30 HE ARG 30 6.823 -8.534 3.570 221 1HH1 ARG 30 1HH1 ARG 30 4.097 -7.608 5.585 222 2HH1 ARG 30 2HH1 ARG 30 4.985 -7.783 7.052 223 1HH2 ARG 30 1HH2 ARG 30 7.970 -8.772 5.526 224 2HH2 ARG 30 2HH2 ARG 30 7.178 -8.434 7.030 225 H ASN 31 H ASN 31 6.240 -4.447 -1.215 226 HA ASN 31 HA ASN 31 6.841 -2.665 1.023 227 1HB ASN 31 1HB ASN 31 8.673 -3.309 -0.479 228 2HB ASN 31 2HB ASN 31 7.813 -2.592 -1.839 229 2HD2 ASN 31 2HD2 ASN 31 7.835 -0.385 -2.106 230 1HD2 ASN 31 1HD2 ASN 31 8.778 0.666 -1.112 231 H VAL 32 H VAL 32 4.237 -3.063 -0.882 232 HA VAL 32 HA VAL 32 3.648 -0.188 -0.845 233 HB VAL 32 HB VAL 32 2.725 -0.177 -3.025 234 1HG1 VAL 32 1HG1 VAL 32 5.171 0.091 -2.905 235 2HG1 VAL 32 2HG1 VAL 32 5.356 -1.605 -3.155 236 3HG1 VAL 32 3HG1 VAL 32 4.665 -0.635 -4.427 237 1HG2 VAL 32 1HG2 VAL 32 3.036 -3.148 -2.906 238 2HG2 VAL 32 2HG2 VAL 32 1.646 -2.184 -3.355 239 3HG2 VAL 32 3HG2 VAL 32 3.001 -2.337 -4.464 240 H HIS 33 H HIS 33 1.299 0.246 -1.148 241 HA HIS 33 HA HIS 33 -0.344 -1.971 -0.109 242 1HB HIS 33 1HB HIS 33 -1.157 -0.786 1.645 243 2HB HIS 33 2HB HIS 33 0.417 -0.017 1.543 244 HD1 HIS 33 HD1 HIS 33 -3.008 0.798 1.892 245 HD2 HIS 33 HD2 HIS 33 0.172 2.500 -0.130 246 HE1 HIS 33 HE1 HIS 33 -3.687 3.174 1.438 247 HE2 HIS 33 HE2 HIS 33 -1.561 4.220 0.620 248 H ALA 34 H ALA 34 -2.241 -2.262 -1.107 249 HA ALA 34 HA ALA 34 -2.882 -0.488 -3.318 250 1HB ALA 34 1HB ALA 34 -4.428 -2.408 -3.968 251 2HB ALA 34 2HB ALA 34 -2.690 -2.658 -4.083 252 3HB ALA 34 3HB ALA 34 -3.583 -3.332 -2.718 253 H ILE 35 H ILE 35 -4.580 0.818 -3.282 254 HA ILE 35 HA ILE 35 -6.500 0.575 -1.049 255 HB ILE 35 HB ILE 35 -6.093 2.955 -2.811 256 1HG1 ILE 35 1HG1 ILE 35 -4.693 2.147 -0.298 257 2HG1 ILE 35 2HG1 ILE 35 -4.842 3.850 -0.720 258 1HG2 ILE 35 1HG2 ILE 35 -7.466 2.536 -0.183 259 2HG2 ILE 35 2HG2 ILE 35 -7.126 4.132 -0.845 260 3HG2 ILE 35 3HG2 ILE 35 -8.185 3.030 -1.713 261 1HD1 ILE 35 1HD1 ILE 35 -3.833 2.932 -3.028 262 2HD1 ILE 35 2HD1 ILE 35 -2.886 3.459 -1.667 263 3HD1 ILE 35 3HD1 ILE 35 -3.152 1.760 -1.902 264 H VAL 36 H VAL 36 -8.235 -0.560 -1.683 265 HA VAL 36 HA VAL 36 -9.111 -0.570 -4.416 266 HB VAL 36 HB VAL 36 -9.246 -2.557 -2.957 267 1HG1 VAL 36 1HG1 VAL 36 -10.036 -1.262 -0.920 268 2HG1 VAL 36 2HG1 VAL 36 -11.637 -1.272 -1.654 269 3HG1 VAL 36 3HG1 VAL 36 -10.844 -2.789 -1.246 270 1HG2 VAL 36 1HG2 VAL 36 -10.573 -2.388 -4.991 271 2HG2 VAL 36 2HG2 VAL 36 -11.423 -3.297 -3.744 272 3HG2 VAL 36 3HG2 VAL 36 -11.884 -1.632 -4.090 273 H LEU 37 H LEU 37 -10.375 0.844 -5.325 274 HA LEU 37 HA LEU 37 -12.526 2.131 -3.819 275 1HB LEU 37 1HB LEU 37 -11.716 4.300 -4.999 276 2HB LEU 37 2HB LEU 37 -11.065 3.823 -3.465 277 HG LEU 37 HG LEU 37 -9.186 2.697 -4.951 278 1HD1 LEU 37 1HD1 LEU 37 -10.398 3.235 -7.076 279 2HD1 LEU 37 2HD1 LEU 37 -10.071 4.943 -6.746 280 3HD1 LEU 37 3HD1 LEU 37 -8.721 3.810 -6.995 281 1HD2 LEU 37 1HD2 LEU 37 -9.523 5.475 -3.998 282 2HD2 LEU 37 2HD2 LEU 37 -8.371 4.242 -3.530 283 3HD2 LEU 37 3HD2 LEU 37 -8.147 5.133 -5.029 284 H LYS 38 H LYS 38 -14.135 3.102 -5.204 285 HA LYS 38 HA LYS 38 -14.303 1.683 -7.739 286 1HB LYS 38 1HB LYS 38 -16.198 2.843 -5.842 287 2HB LYS 38 2HB LYS 38 -16.628 3.164 -7.515 288 1HG LYS 38 1HG LYS 38 -16.748 0.880 -8.036 289 2HG LYS 38 2HG LYS 38 -15.995 0.421 -6.518 290 1HD LYS 38 1HD LYS 38 -18.428 2.020 -6.181 291 2HD LYS 38 2HD LYS 38 -18.681 0.486 -6.999 292 1HE LYS 38 1HE LYS 38 -17.409 -0.621 -5.133 293 2HE LYS 38 2HE LYS 38 -17.459 0.931 -4.294 294 1HZ LYS 38 1HZ LYS 38 -19.875 0.843 -4.352 295 2HZ LYS 38 2HZ LYS 38 -19.824 -0.649 -5.163 296 3HZ LYS 38 3HZ LYS 38 -19.245 -0.534 -3.583 297 H GLU 39 H GLU 39 -15.253 2.781 -9.628 298 HA GLU 39 HA GLU 39 -13.588 4.718 -10.657 299 1HB GLU 39 1HB GLU 39 -16.141 3.502 -11.417 300 2HB GLU 39 2HB GLU 39 -16.000 5.146 -12.005 301 1HG GLU 39 1HG GLU 39 -13.584 3.551 -12.470 302 2HG GLU 39 2HG GLU 39 -15.030 2.883 -13.208 303 H GLY 40 H GLY 40 -13.280 6.813 -10.266 304 1HA GLY 40 1HA GLY 40 -13.974 9.032 -10.075 305 2HA GLY 40 2HA GLY 40 -15.582 8.511 -9.611 306 H SER 41 H SER 41 -13.291 6.753 -7.877 307 HA SER 41 HA SER 41 -14.009 7.956 -5.420 308 1HB SER 41 1HB SER 41 -13.343 5.616 -5.575 309 2HB SER 41 2HB SER 41 -11.722 6.093 -6.079 310 HG SER 41 HG SER 41 -11.298 6.174 -4.004 311 H ALA 42 H ALA 42 -11.863 8.309 -3.881 312 HA ALA 42 HA ALA 42 -10.718 10.792 -4.919 313 1HB ALA 42 1HB ALA 42 -9.996 11.163 -2.623 314 2HB ALA 42 2HB ALA 42 -11.711 10.765 -2.690 315 3HB ALA 42 3HB ALA 42 -10.548 9.548 -2.172 316 H MET 43 H MET 43 -9.228 9.940 -6.451 317 HA MET 43 HA MET 43 -6.889 8.622 -5.220 318 1HB MET 43 1HB MET 43 -6.464 7.770 -7.571 319 2HB MET 43 2HB MET 43 -7.723 6.996 -6.641 320 1HG MET 43 1HG MET 43 -9.426 7.919 -7.877 321 2HG MET 43 2HG MET 43 -8.419 9.206 -8.529 322 1HE MET 43 1HE MET 43 -6.236 8.637 -9.748 323 2HE MET 43 2HE MET 43 -5.760 6.943 -9.648 324 3HE MET 43 3HE MET 43 -6.299 7.613 -11.183 325 H THR 44 H THR 44 -5.477 10.193 -4.907 326 HA THR 44 HA THR 44 -5.303 12.531 -6.477 327 HB THR 44 HB THR 44 -2.929 12.613 -5.355 328 HG1 THR 44 HG1 THR 44 -2.949 11.226 -3.453 329 1HG2 THR 44 1HG2 THR 44 -4.807 13.922 -4.537 330 2HG2 THR 44 2HG2 THR 44 -5.385 12.535 -3.611 331 3HG2 THR 44 3HG2 THR 44 -3.829 13.272 -3.226 332 H LYS 45 H LYS 45 -3.716 13.167 -7.978 333 HA LYS 45 HA LYS 45 -2.962 11.048 -9.800 334 1HB LYS 45 1HB LYS 45 -2.925 14.034 -9.820 335 2HB LYS 45 2HB LYS 45 -1.848 13.194 -10.928 336 1HG LYS 45 1HG LYS 45 -3.657 12.074 -11.982 337 2HG LYS 45 2HG LYS 45 -4.811 12.680 -10.793 338 1HD LYS 45 1HD LYS 45 -3.215 14.748 -12.213 339 2HD LYS 45 2HD LYS 45 -4.338 13.822 -13.207 340 1HE LYS 45 1HE LYS 45 -6.167 14.386 -11.684 341 2HE LYS 45 2HE LYS 45 -5.403 15.824 -12.363 342 1HZ LYS 45 1HZ LYS 45 -4.102 16.006 -10.263 343 2HZ LYS 45 2HZ LYS 45 -5.766 16.172 -10.056 344 3HZ LYS 45 3HZ LYS 45 -5.041 14.717 -9.635 345 H ASP 46 H ASP 46 -1.455 12.878 -7.282 346 HA ASP 46 HA ASP 46 1.185 12.949 -7.915 347 1HB ASP 46 1HB ASP 46 0.208 13.746 -5.782 348 2HB ASP 46 2HB ASP 46 0.051 12.078 -5.239 349 H PHE 47 H PHE 47 2.997 11.538 -7.481 350 HA PHE 47 HA PHE 47 2.307 8.721 -7.976 351 1HB PHE 47 1HB PHE 47 3.783 9.753 -9.592 352 2HB PHE 47 2HB PHE 47 4.901 10.228 -8.317 353 HD1 PHE 47 HD1 PHE 47 6.167 8.505 -7.070 354 HD2 PHE 47 HD2 PHE 47 3.786 7.539 -10.470 355 HE1 PHE 47 HE1 PHE 47 7.309 6.365 -7.263 356 HE2 PHE 47 HE2 PHE 47 4.923 5.373 -10.650 357 HZ PHE 47 HZ PHE 47 6.688 4.772 -9.039 358 H ARG 48 H ARG 48 2.818 7.110 -6.613 359 HA ARG 48 HA ARG 48 4.699 7.496 -4.426 360 1HB ARG 48 1HB ARG 48 1.731 7.358 -4.052 361 2HB ARG 48 2HB ARG 48 2.745 6.512 -2.888 362 1HG ARG 48 1HG ARG 48 3.950 8.617 -2.444 363 2HG ARG 48 2HG ARG 48 2.857 9.445 -3.549 364 1HD ARG 48 1HD ARG 48 1.608 9.834 -1.770 365 2HD ARG 48 2HD ARG 48 1.083 8.172 -1.906 366 HE ARG 48 HE ARG 48 2.876 7.584 -0.311 367 1HH1 ARG 48 1HH1 ARG 48 1.665 10.896 -0.352 368 2HH1 ARG 48 2HH1 ARG 48 2.139 11.199 1.270 369 1HH2 ARG 48 1HH2 ARG 48 3.482 8.028 1.832 370 2HH2 ARG 48 2HH2 ARG 48 3.154 9.579 2.529 371 H CYS 49 H CYS 49 5.934 5.763 -4.708 372 HA CYS 49 HA CYS 49 5.198 3.407 -5.970 373 1HB CYS 49 1HB CYS 49 7.456 4.119 -4.149 374 2HB CYS 49 2HB CYS 49 7.277 2.458 -4.709 375 H ASP 50 H ASP 50 5.143 4.197 -2.543 376 HA ASP 50 HA ASP 50 4.430 1.508 -1.792 377 1HB ASP 50 1HB ASP 50 5.689 2.879 -0.241 378 2HB ASP 50 2HB ASP 50 4.144 2.427 0.469 379 H ARG 51 H ARG 51 2.676 3.661 -3.478 380 HA ARG 51 HA ARG 51 0.163 2.805 -2.240 381 1HB ARG 51 1HB ARG 51 0.795 5.271 -1.950 382 2HB ARG 51 2HB ARG 51 0.529 5.433 -3.681 383 1HG ARG 51 1HG ARG 51 -1.802 4.480 -3.246 384 2HG ARG 51 2HG ARG 51 -1.439 4.720 -1.535 385 1HD ARG 51 1HD ARG 51 -2.598 6.642 -2.183 386 2HD ARG 51 2HD ARG 51 -0.904 7.111 -2.100 387 HE ARG 51 HE ARG 51 -1.839 6.285 -4.727 388 1HH1 ARG 51 1HH1 ARG 51 -1.375 8.988 -2.518 389 2HH1 ARG 51 2HH1 ARG 51 -1.340 10.147 -3.784 390 1HH2 ARG 51 1HH2 ARG 51 -1.829 7.865 -6.364 391 2HH2 ARG 51 2HH2 ARG 51 -1.635 9.528 -5.969 392 H VAL 52 H VAL 52 -1.233 1.830 -3.545 393 HA VAL 52 HA VAL 52 -0.946 2.160 -6.468 394 HB VAL 52 HB VAL 52 -1.354 -0.508 -5.080 395 1HG1 VAL 52 1HG1 VAL 52 -1.311 0.313 -7.976 396 2HG1 VAL 52 2HG1 VAL 52 -1.011 -1.343 -7.461 397 3HG1 VAL 52 3HG1 VAL 52 -2.550 -0.573 -7.099 398 1HG2 VAL 52 1HG2 VAL 52 0.968 0.338 -4.908 399 2HG2 VAL 52 2HG2 VAL 52 0.841 -1.104 -5.902 400 3HG2 VAL 52 3HG2 VAL 52 1.016 0.466 -6.659 401 H TRP 53 H TRP 53 -2.812 2.927 -7.212 402 HA TRP 53 HA TRP 53 -5.235 2.734 -5.670 403 1HB TRP 53 1HB TRP 53 -4.655 3.875 -8.404 404 2HB TRP 53 2HB TRP 53 -6.250 3.924 -7.672 405 HD1 TRP 53 HD1 TRP 53 -4.021 6.366 -8.440 406 HE1 TRP 53 HE1 TRP 53 -3.844 8.233 -6.684 407 HE3 TRP 53 HE3 TRP 53 -5.943 3.899 -4.446 408 HZ2 TRP 53 HZ2 TRP 53 -4.369 8.578 -3.933 409 HZ3 TRP 53 HZ3 TRP 53 -6.047 5.058 -2.283 410 HH2 TRP 53 HH2 TRP 53 -5.284 7.336 -2.023 411 H VAL 54 H VAL 54 -7.039 1.538 -6.056 412 HA VAL 54 HA VAL 54 -6.925 -0.373 -8.318 413 HB VAL 54 HB VAL 54 -7.693 -0.900 -5.455 414 1HG1 VAL 54 1HG1 VAL 54 -8.122 -2.565 -7.916 415 2HG1 VAL 54 2HG1 VAL 54 -8.088 -3.260 -6.299 416 3HG1 VAL 54 3HG1 VAL 54 -9.321 -2.087 -6.716 417 1HG2 VAL 54 1HG2 VAL 54 -5.285 -0.958 -5.940 418 2HG2 VAL 54 2HG2 VAL 54 -5.930 -2.536 -5.488 419 3HG2 VAL 54 3HG2 VAL 54 -5.599 -2.176 -7.172 420 H ILE 55 H ILE 55 -8.302 0.994 -9.504 421 HA ILE 55 HA ILE 55 -10.834 1.816 -8.433 422 HB ILE 55 HB ILE 55 -10.044 1.858 -11.316 423 1HG1 ILE 55 1HG1 ILE 55 -9.749 4.365 -9.804 424 2HG1 ILE 55 2HG1 ILE 55 -8.618 3.136 -9.289 425 1HG2 ILE 55 1HG2 ILE 55 -12.014 3.469 -9.718 426 2HG2 ILE 55 2HG2 ILE 55 -11.608 3.773 -11.405 427 3HG2 ILE 55 3HG2 ILE 55 -12.386 2.261 -10.946 428 1HD1 ILE 55 1HD1 ILE 55 -8.965 3.900 -12.168 429 2HD1 ILE 55 2HD1 ILE 55 -7.830 4.678 -11.075 430 3HD1 ILE 55 3HD1 ILE 55 -7.660 2.975 -11.415 431 H VAL 56 H VAL 56 -12.713 0.772 -8.496 432 HA VAL 56 HA VAL 56 -12.999 -1.496 -10.330 433 HB VAL 56 HB VAL 56 -14.300 -2.664 -8.622 434 1HG1 VAL 56 1HG1 VAL 56 -11.444 -2.171 -8.464 435 2HG1 VAL 56 2HG1 VAL 56 -12.117 -2.652 -6.916 436 3HG1 VAL 56 3HG1 VAL 56 -12.340 -3.670 -8.321 437 1HG2 VAL 56 1HG2 VAL 56 -13.629 -0.270 -6.944 438 2HG2 VAL 56 2HG2 VAL 56 -15.172 -1.038 -7.272 439 3HG2 VAL 56 3HG2 VAL 56 -14.026 -1.824 -6.220 440 H ASN 57 H ASN 57 -15.269 -2.132 -10.701 441 HA ASN 57 HA ASN 57 -16.834 0.259 -11.260 442 1HB ASN 57 1HB ASN 57 -16.609 -1.486 -12.962 443 2HB ASN 57 2HB ASN 57 -18.284 -1.251 -12.534 444 2HD2 ASN 57 2HD2 ASN 57 -17.736 -3.500 -13.799 445 1HD2 ASN 57 1HD2 ASN 57 -17.756 -4.849 -12.721 446 H ASP 58 H ASP 58 -19.410 -0.500 -11.098 447 HA ASP 58 HA ASP 58 -20.023 -0.131 -8.386 448 1HB ASP 58 1HB ASP 58 -21.671 -0.875 -10.793 449 2HB ASP 58 2HB ASP 58 -22.402 -0.725 -9.197 450 H HIS 59 H HIS 59 -19.085 -2.995 -9.931 451 HA HIS 59 HA HIS 59 -20.537 -4.665 -8.016 452 1HB HIS 59 1HB HIS 59 -19.718 -4.993 -10.799 453 2HB HIS 59 2HB HIS 59 -19.159 -6.333 -9.806 454 HD1 HIS 59 HD1 HIS 59 -21.732 -5.830 -11.951 455 HD2 HIS 59 HD2 HIS 59 -21.693 -6.883 -7.932 456 HE1 HIS 59 HE1 HIS 59 -23.970 -6.888 -11.512 457 HE2 HIS 59 HE2 HIS 59 -23.932 -7.502 -9.071 458 H GLY 60 H GLY 60 -17.547 -3.174 -8.330 459 1HA GLY 60 1HA GLY 60 -15.840 -3.380 -6.768 460 2HA GLY 60 2HA GLY 60 -16.426 -4.971 -6.313 461 H VAL 61 H VAL 61 -16.078 -4.257 -9.691 462 HA VAL 61 HA VAL 61 -13.845 -6.155 -9.850 463 HB VAL 61 HB VAL 61 -15.534 -5.023 -12.090 464 1HG1 VAL 61 1HG1 VAL 61 -13.591 -7.314 -11.971 465 2HG1 VAL 61 2HG1 VAL 61 -14.645 -6.972 -13.342 466 3HG1 VAL 61 3HG1 VAL 61 -13.399 -5.817 -12.880 467 1HG2 VAL 61 1HG2 VAL 61 -15.821 -7.620 -10.580 468 2HG2 VAL 61 2HG2 VAL 61 -16.964 -6.275 -10.607 469 3HG2 VAL 61 3HG2 VAL 61 -16.676 -7.213 -12.070 470 H VAL 62 H VAL 62 -11.837 -5.506 -10.453 471 HA VAL 62 HA VAL 62 -11.208 -2.757 -10.491 472 HB VAL 62 HB VAL 62 -9.485 -5.066 -11.381 473 1HG1 VAL 62 1HG1 VAL 62 -8.854 -2.165 -10.828 474 2HG1 VAL 62 2HG1 VAL 62 -7.628 -3.436 -10.769 475 3HG1 VAL 62 3HG1 VAL 62 -8.504 -3.136 -12.260 476 1HG2 VAL 62 1HG2 VAL 62 -9.781 -3.686 -8.723 477 2HG2 VAL 62 2HG2 VAL 62 -10.170 -5.348 -9.086 478 3HG2 VAL 62 3HG2 VAL 62 -8.501 -4.826 -9.105 479 H THR 63 H THR 63 -11.775 -1.418 -12.075 480 HA THR 63 HA THR 63 -12.020 -2.372 -14.820 481 HB THR 63 HB THR 63 -13.021 -0.246 -15.286 482 HG1 THR 63 HG1 THR 63 -11.965 1.280 -14.213 483 1HG2 THR 63 1HG2 THR 63 -14.474 -1.821 -14.112 484 2HG2 THR 63 2HG2 THR 63 -13.976 -1.120 -12.574 485 3HG2 THR 63 3HG2 THR 63 -14.872 -0.143 -13.737 486 H SER 64 H SER 64 -9.964 -0.236 -12.895 487 HA SER 64 HA SER 64 -8.352 0.316 -15.306 488 1HB SER 64 1HB SER 64 -8.861 1.785 -12.793 489 2HB SER 64 2HB SER 64 -7.277 1.987 -13.520 490 HG SER 64 HG SER 64 -9.789 2.772 -14.450 491 H VAL 65 H VAL 65 -6.080 0.255 -15.140 492 HA VAL 65 HA VAL 65 -5.104 -2.130 -14.007 493 HB VAL 65 HB VAL 65 -3.326 0.128 -14.894 494 1HG1 VAL 65 1HG1 VAL 65 -3.081 -2.872 -14.875 495 2HG1 VAL 65 2HG1 VAL 65 -1.942 -1.803 -15.692 496 3HG1 VAL 65 3HG1 VAL 65 -2.144 -1.711 -13.945 497 1HG2 VAL 65 1HG2 VAL 65 -4.989 -1.720 -16.592 498 2HG2 VAL 65 2HG2 VAL 65 -4.841 0.037 -16.660 499 3HG2 VAL 65 3HG2 VAL 65 -3.504 -0.970 -17.184 500 1HB PRO 66 1HB PRO 66 -3.195 -2.685 -8.889 501 2HB PRO 66 2HB PRO 66 -4.827 -2.040 -8.970 502 1HG PRO 66 1HG PRO 66 -3.744 -4.298 -10.327 503 2HG PRO 66 2HG PRO 66 -5.422 -3.768 -10.294 504 1HD PRO 66 1HD PRO 66 -3.358 -3.412 -12.343 505 2HD PRO 66 2HD PRO 66 -5.115 -3.234 -12.462 506 H HIS 67 H HIS 67 -2.109 0.862 -10.694 507 HA HIS 67 HA HIS 67 0.445 -0.599 -10.468 508 1HB HIS 67 1HB HIS 67 1.347 1.065 -12.167 509 2HB HIS 67 2HB HIS 67 0.225 -0.138 -12.782 510 HD1 HIS 67 HD1 HIS 67 -2.407 0.853 -12.738 511 HD2 HIS 67 HD2 HIS 67 0.736 3.498 -13.156 512 HE1 HIS 67 HE1 HIS 67 -3.438 2.941 -13.648 513 HE2 HIS 67 HE2 HIS 67 -1.484 4.478 -14.051 514 H ILE 68 H ILE 68 2.180 0.561 -9.660 515 HA ILE 68 HA ILE 68 1.812 2.044 -7.422 516 HB ILE 68 HB ILE 68 4.038 1.469 -9.196 517 1HG1 ILE 68 1HG1 ILE 68 3.808 1.790 -6.242 518 2HG1 ILE 68 2HG1 ILE 68 3.599 0.294 -7.121 519 1HG2 ILE 68 1HG2 ILE 68 4.107 4.073 -7.700 520 2HG2 ILE 68 2HG2 ILE 68 5.564 3.187 -8.154 521 3HG2 ILE 68 3HG2 ILE 68 4.479 3.719 -9.384 522 1HD1 ILE 68 1HD1 ILE 68 5.913 0.387 -7.844 523 2HD1 ILE 68 2HD1 ILE 68 6.173 1.828 -6.902 524 3HD1 ILE 68 3HD1 ILE 68 5.763 0.337 -6.094 525 H THR 69 H THR 69 0.510 3.731 -7.284 526 HA THR 69 HA THR 69 1.257 6.192 -8.673 527 HB THR 69 HB THR 69 -1.449 4.871 -8.915 528 HG1 THR 69 HG1 THR 69 -0.991 4.781 -11.018 529 1HG2 THR 69 1HG2 THR 69 -0.706 7.710 -9.574 530 2HG2 THR 69 2HG2 THR 69 -2.134 6.882 -10.183 531 3HG2 THR 69 3HG2 THR 69 -1.947 7.163 -8.454 No H/Q in entry = 531 Start of MODEL 8 1 H SER 1 H SER 1 11.198 10.787 -11.162 2 HA SER 1 HA SER 1 13.019 8.650 -10.355 3 1HB SER 1 1HB SER 1 12.149 10.476 -8.856 4 2HB SER 1 2HB SER 1 10.555 9.698 -8.841 5 HG SER 1 HG SER 1 11.851 9.046 -7.069 6 H ARG 2 H ARG 2 12.853 6.481 -10.563 7 HA ARG 2 HA ARG 2 10.327 5.016 -10.809 8 1HB ARG 2 1HB ARG 2 11.658 6.167 -13.059 9 2HB ARG 2 2HB ARG 2 11.908 4.436 -13.160 10 1HG ARG 2 1HG ARG 2 9.414 4.182 -12.845 11 2HG ARG 2 2HG ARG 2 9.306 5.931 -13.069 12 1HD ARG 2 1HD ARG 2 10.743 4.213 -15.077 13 2HD ARG 2 2HD ARG 2 8.998 4.335 -15.083 14 HE ARG 2 HE ARG 2 9.107 6.604 -15.621 15 1HH1 ARG 2 1HH1 ARG 2 12.313 5.149 -15.462 16 2HH1 ARG 2 2HH1 ARG 2 13.045 6.422 -16.354 17 1HH2 ARG 2 1HH2 ARG 2 10.123 8.279 -16.787 18 2HH2 ARG 2 2HH2 ARG 2 11.825 8.197 -17.101 19 H ARG 3 H ARG 3 11.360 4.066 -8.906 20 HA ARG 3 HA ARG 3 12.528 1.584 -9.542 21 1HB ARG 3 1HB ARG 3 14.396 3.734 -9.295 22 2HB ARG 3 2HB ARG 3 14.617 2.706 -7.900 23 1HG ARG 3 1HG ARG 3 15.434 0.990 -9.068 24 2HG ARG 3 2HG ARG 3 14.413 1.277 -10.474 25 1HD ARG 3 1HD ARG 3 16.069 2.288 -11.513 26 2HD ARG 3 2HD ARG 3 16.176 3.491 -10.233 27 HE ARG 3 HE ARG 3 17.515 0.947 -9.739 28 1HH1 ARG 3 1HH1 ARG 3 17.831 4.275 -10.844 29 2HH1 ARG 3 2HH1 ARG 3 19.527 4.308 -10.573 30 1HH2 ARG 3 1HH2 ARG 3 19.760 1.029 -9.400 31 2HH2 ARG 3 2HH2 ARG 3 20.632 2.480 -9.769 32 H CYS 4 H CYS 4 10.984 0.747 -8.204 33 HA CYS 4 HA CYS 4 11.488 1.128 -5.344 34 1HB CYS 4 1HB CYS 4 8.804 1.333 -6.700 35 2HB CYS 4 2HB CYS 4 8.983 1.081 -4.964 36 1HB PRO 5 1HB PRO 5 9.852 -2.915 -2.647 37 2HB PRO 5 2HB PRO 5 11.366 -3.772 -2.856 38 1HG PRO 5 1HG PRO 5 11.305 -1.413 -1.619 39 2HG PRO 5 2HG PRO 5 12.632 -1.847 -2.696 40 1HD PRO 5 1HD PRO 5 12.021 0.103 -3.721 41 2HD PRO 5 2HD PRO 5 10.333 -0.007 -3.176 42 H GLY 6 H GLY 6 10.167 -5.088 -5.326 43 1HA GLY 6 1HA GLY 6 8.296 -6.223 -5.952 44 2HA GLY 6 2HA GLY 6 7.340 -4.973 -5.214 45 H LYS 7 H LYS 7 5.955 -5.541 -7.080 46 HA LYS 7 HA LYS 7 6.835 -4.563 -9.685 47 1HB LYS 7 1HB LYS 7 5.543 -6.660 -9.330 48 2HB LYS 7 2HB LYS 7 4.195 -5.710 -8.852 49 1HG LYS 7 1HG LYS 7 3.875 -4.794 -10.939 50 2HG LYS 7 2HG LYS 7 5.471 -5.275 -11.511 51 1HD LYS 7 1HD LYS 7 3.519 -7.384 -10.630 52 2HD LYS 7 2HD LYS 7 3.285 -6.598 -12.186 53 1HE LYS 7 1HE LYS 7 4.568 -8.579 -12.527 54 2HE LYS 7 2HE LYS 7 5.615 -7.187 -12.801 55 1HZ LYS 7 1HZ LYS 7 5.519 -8.616 -10.195 56 2HZ LYS 7 2HZ LYS 7 6.560 -9.068 -11.445 57 3HZ LYS 7 3HZ LYS 7 6.694 -7.531 -10.761 58 H ASN 8 H ASN 8 5.637 -2.937 -10.872 59 HA ASN 8 HA ASN 8 4.385 -0.921 -9.089 60 1HB ASN 8 1HB ASN 8 5.168 0.712 -10.917 61 2HB ASN 8 2HB ASN 8 6.375 0.030 -9.836 62 2HD2 ASN 8 2HD2 ASN 8 8.190 -0.353 -10.900 63 1HD2 ASN 8 1HD2 ASN 8 8.289 -1.035 -12.483 64 H ALA 9 H ALA 9 3.550 -3.077 -11.458 65 HA ALA 9 HA ALA 9 1.053 -1.734 -11.921 66 1HB ALA 9 1HB ALA 9 2.864 -2.332 -14.252 67 2HB ALA 9 2HB ALA 9 1.196 -1.757 -14.351 68 3HB ALA 9 3HB ALA 9 2.446 -0.728 -13.652 69 H TRP 10 H TRP 10 -0.537 -3.200 -12.019 70 HA TRP 10 HA TRP 10 0.208 -6.011 -12.583 71 1HB TRP 10 1HB TRP 10 -1.698 -4.853 -10.565 72 2HB TRP 10 2HB TRP 10 -1.694 -6.547 -11.038 73 HD1 TRP 10 HD1 TRP 10 0.202 -8.103 -10.068 74 HE1 TRP 10 HE1 TRP 10 2.041 -7.739 -8.304 75 HE3 TRP 10 HE3 TRP 10 -0.124 -3.042 -9.557 76 HZ2 TRP 10 HZ2 TRP 10 3.195 -5.582 -6.885 77 HZ3 TRP 10 HZ3 TRP 10 1.365 -1.891 -7.995 78 HH2 TRP 10 HH2 TRP 10 2.981 -3.143 -6.659 79 1HB PRO 11 1HB PRO 11 -1.805 -5.042 -17.813 80 2HB PRO 11 2HB PRO 11 -1.291 -6.651 -17.298 81 1HG PRO 11 1HG PRO 11 0.735 -5.554 -17.178 82 2HG PRO 11 2HG PRO 11 -0.021 -3.998 -16.792 83 1HD PRO 11 1HD PRO 11 0.654 -4.551 -14.701 84 2HD PRO 11 2HD PRO 11 0.612 -6.292 -14.989 85 H GLU 12 H GLU 12 -1.631 -7.795 -14.982 86 HA GLU 12 HA GLU 12 -3.810 -9.274 -15.955 87 1HB GLU 12 1HB GLU 12 -1.635 -10.246 -15.366 88 2HB GLU 12 2HB GLU 12 -2.978 -11.092 -14.610 89 1HG GLU 12 1HG GLU 12 -2.308 -9.249 -12.674 90 2HG GLU 12 2HG GLU 12 -1.822 -10.937 -12.736 91 H LEU 13 H LEU 13 -3.782 -7.090 -13.350 92 HA LEU 13 HA LEU 13 -5.749 -8.505 -11.781 93 1HB LEU 13 1HB LEU 13 -4.488 -5.796 -11.580 94 2HB LEU 13 2HB LEU 13 -5.820 -6.256 -10.548 95 HG LEU 13 HG LEU 13 -3.131 -7.619 -10.672 96 1HD1 LEU 13 1HD1 LEU 13 -3.135 -5.403 -9.562 97 2HD1 LEU 13 2HD1 LEU 13 -4.363 -5.955 -8.486 98 3HD1 LEU 13 3HD1 LEU 13 -2.773 -6.707 -8.460 99 1HD2 LEU 13 1HD2 LEU 13 -5.694 -8.297 -9.313 100 2HD2 LEU 13 2HD2 LEU 13 -4.513 -9.335 -10.101 101 3HD2 LEU 13 3HD2 LEU 13 -4.179 -8.665 -8.535 102 H VAL 14 H VAL 14 -5.710 -6.250 -14.394 103 HA VAL 14 HA VAL 14 -8.173 -4.975 -14.030 104 HB VAL 14 HB VAL 14 -6.957 -5.799 -16.683 105 1HG1 VAL 14 1HG1 VAL 14 -8.932 -3.638 -15.943 106 2HG1 VAL 14 2HG1 VAL 14 -8.157 -3.789 -17.520 107 3HG1 VAL 14 3HG1 VAL 14 -9.238 -5.053 -16.949 108 1HG2 VAL 14 1HG2 VAL 14 -5.381 -4.526 -15.178 109 2HG2 VAL 14 2HG2 VAL 14 -5.781 -3.741 -16.687 110 3HG2 VAL 14 3HG2 VAL 14 -6.551 -3.211 -15.196 111 H GLY 15 H GLY 15 -10.076 -5.982 -13.681 112 1HA GLY 15 1HA GLY 15 -11.913 -7.139 -14.735 113 2HA GLY 15 2HA GLY 15 -10.779 -8.296 -15.406 114 H LYS 16 H LYS 16 -9.572 -7.808 -12.429 115 HA LYS 16 HA LYS 16 -11.039 -10.111 -11.330 116 1HB LYS 16 1HB LYS 16 -8.275 -9.160 -11.241 117 2HB LYS 16 2HB LYS 16 -8.878 -9.557 -9.650 118 1HG LYS 16 1HG LYS 16 -9.422 -11.531 -11.808 119 2HG LYS 16 2HG LYS 16 -7.740 -11.294 -11.348 120 1HD LYS 16 1HD LYS 16 -9.073 -11.455 -8.910 121 2HD LYS 16 2HD LYS 16 -8.078 -12.687 -9.659 122 1HE LYS 16 1HE LYS 16 -11.047 -12.361 -9.977 123 2HE LYS 16 2HE LYS 16 -10.061 -13.571 -10.801 124 1HZ LYS 16 1HZ LYS 16 -9.437 -14.459 -8.614 125 2HZ LYS 16 2HZ LYS 16 -10.458 -13.332 -7.866 126 3HZ LYS 16 3HZ LYS 16 -11.107 -14.521 -8.876 127 H SER 17 H SER 17 -11.336 -10.102 -8.924 128 HA SER 17 HA SER 17 -12.955 -7.907 -8.196 129 1HB SER 17 1HB SER 17 -12.975 -10.350 -7.301 130 2HB SER 17 2HB SER 17 -13.375 -9.033 -6.199 131 HG SER 17 HG SER 17 -11.867 -10.520 -5.300 132 H GLY 18 H GLY 18 -12.631 -6.173 -6.816 133 1HA GLY 18 1HA GLY 18 -10.154 -4.923 -6.726 134 2HA GLY 18 2HA GLY 18 -11.484 -4.581 -5.648 135 H ASN 19 H ASN 19 -11.546 -7.268 -4.506 136 HA ASN 19 HA ASN 19 -9.649 -6.863 -2.426 137 1HB ASN 19 1HB ASN 19 -11.927 -8.036 -2.290 138 2HB ASN 19 2HB ASN 19 -11.131 -9.453 -2.966 139 2HD2 ASN 19 2HD2 ASN 19 -12.349 -8.774 -0.266 140 1HD2 ASN 19 1HD2 ASN 19 -11.118 -9.232 0.854 141 H MET 20 H MET 20 -9.862 -9.074 -5.183 142 HA MET 20 HA MET 20 -7.540 -10.567 -4.549 143 1HB MET 20 1HB MET 20 -9.527 -10.709 -6.490 144 2HB MET 20 2HB MET 20 -8.111 -10.306 -7.426 145 1HG MET 20 1HG MET 20 -8.441 -12.706 -7.297 146 2HG MET 20 2HG MET 20 -8.434 -12.630 -5.547 147 1HE MET 20 1HE MET 20 -6.462 -11.900 -8.755 148 2HE MET 20 2HE MET 20 -5.876 -10.515 -7.853 149 3HE MET 20 3HE MET 20 -4.792 -11.848 -8.241 150 H ALA 21 H ALA 21 -8.111 -7.577 -6.311 151 HA ALA 21 HA ALA 21 -5.549 -7.318 -7.446 152 1HB ALA 21 1HB ALA 21 -7.780 -5.427 -6.857 153 2HB ALA 21 2HB ALA 21 -7.085 -5.912 -8.403 154 3HB ALA 21 3HB ALA 21 -6.210 -4.793 -7.369 155 H ALA 22 H ALA 22 -6.930 -5.688 -4.601 156 HA ALA 22 HA ALA 22 -4.639 -4.485 -3.653 157 1HB ALA 22 1HB ALA 22 -5.793 -5.032 -1.306 158 2HB ALA 22 2HB ALA 22 -6.434 -3.844 -2.430 159 3HB ALA 22 3HB ALA 22 -7.135 -5.456 -2.371 160 H ALA 23 H ALA 23 -5.829 -7.747 -2.863 161 HA ALA 23 HA ALA 23 -3.748 -8.488 -1.145 162 1HB ALA 23 1HB ALA 23 -5.821 -9.762 -1.372 163 2HB ALA 23 2HB ALA 23 -4.410 -10.795 -1.590 164 3HB ALA 23 3HB ALA 23 -5.344 -10.265 -2.992 165 H THR 24 H THR 24 -4.045 -8.822 -4.667 166 HA THR 24 HA THR 24 -1.664 -10.245 -5.107 167 HB THR 24 HB THR 24 -3.070 -8.264 -6.902 168 HG1 THR 24 HG1 THR 24 -3.281 -11.101 -6.698 169 1HG2 THR 24 1HG2 THR 24 -1.096 -10.408 -7.627 170 2HG2 THR 24 2HG2 THR 24 -2.045 -9.456 -8.760 171 3HG2 THR 24 3HG2 THR 24 -0.836 -8.670 -7.754 172 H VAL 25 H VAL 25 -2.301 -6.760 -4.968 173 HA VAL 25 HA VAL 25 0.341 -5.967 -5.667 174 HB VAL 25 HB VAL 25 -1.663 -4.367 -4.057 175 1HG1 VAL 25 1HG1 VAL 25 0.987 -3.806 -5.010 176 2HG1 VAL 25 2HG1 VAL 25 -0.159 -2.781 -5.849 177 3HG1 VAL 25 3HG1 VAL 25 -0.121 -2.788 -4.099 178 1HG2 VAL 25 1HG2 VAL 25 -2.190 -5.424 -6.542 179 2HG2 VAL 25 2HG2 VAL 25 -2.890 -3.965 -5.869 180 3HG2 VAL 25 3HG2 VAL 25 -1.508 -3.869 -6.949 181 H GLU 26 H GLU 26 -1.323 -6.155 -2.524 182 HA GLU 26 HA GLU 26 0.946 -5.383 -0.996 183 1HB GLU 26 1HB GLU 26 -0.291 -6.005 0.921 184 2HB GLU 26 2HB GLU 26 -1.291 -7.130 0.023 185 1HG GLU 26 1HG GLU 26 -1.772 -4.687 -1.239 186 2HG GLU 26 2HG GLU 26 -2.821 -5.560 -0.132 187 H ARG 27 H ARG 27 -0.123 -8.455 -2.301 188 HA ARG 27 HA ARG 27 1.694 -10.004 -0.666 189 1HB ARG 27 1HB ARG 27 -0.517 -10.830 -1.567 190 2HB ARG 27 2HB ARG 27 0.235 -10.919 -3.158 191 1HG ARG 27 1HG ARG 27 1.948 -12.452 -2.110 192 2HG ARG 27 2HG ARG 27 0.946 -12.439 -0.657 193 1HD ARG 27 1HD ARG 27 0.062 -14.252 -1.605 194 2HD ARG 27 2HD ARG 27 -0.948 -13.080 -2.447 195 HE ARG 27 HE ARG 27 1.134 -13.300 -4.129 196 1HH1 ARG 27 1HH1 ARG 27 -0.831 -15.753 -2.540 197 2HH1 ARG 27 2HH1 ARG 27 -0.602 -16.898 -3.804 198 1HH2 ARG 27 1HH2 ARG 27 1.408 -14.840 -5.781 199 2HH2 ARG 27 2HH2 ARG 27 0.658 -16.395 -5.639 200 H GLU 28 H GLU 28 1.457 -9.343 -4.183 201 HA GLU 28 HA GLU 28 3.983 -10.451 -4.804 202 1HB GLU 28 1HB GLU 28 2.156 -8.528 -6.221 203 2HB GLU 28 2HB GLU 28 3.759 -8.827 -6.848 204 1HG GLU 28 1HG GLU 28 2.908 -11.373 -6.506 205 2HG GLU 28 2HG GLU 28 1.380 -10.554 -6.838 206 H ASN 29 H ASN 29 3.001 -7.284 -3.657 207 HA ASN 29 HA ASN 29 5.851 -6.500 -3.590 208 1HB ASN 29 1HB ASN 29 4.575 -5.282 -5.328 209 2HB ASN 29 2HB ASN 29 3.495 -4.663 -4.087 210 2HD2 ASN 29 2HD2 ASN 29 5.354 -3.283 -5.936 211 1HD2 ASN 29 1HD2 ASN 29 6.377 -2.346 -4.907 212 H ARG 30 H ARG 30 5.792 -7.446 -1.465 213 HA ARG 30 HA ARG 30 4.137 -6.483 0.620 214 1HB ARG 30 1HB ARG 30 5.825 -7.486 2.134 215 2HB ARG 30 2HB ARG 30 5.298 -8.564 0.849 216 1HG ARG 30 1HG ARG 30 7.460 -7.621 -0.373 217 2HG ARG 30 2HG ARG 30 7.932 -7.238 1.278 218 1HD ARG 30 1HD ARG 30 8.153 -9.410 1.879 219 2HD ARG 30 2HD ARG 30 6.882 -9.964 0.786 220 HE ARG 30 HE ARG 30 9.278 -9.033 -0.541 221 1HH1 ARG 30 1HH1 ARG 30 7.666 -11.803 0.913 222 2HH1 ARG 30 2HH1 ARG 30 8.589 -12.943 0.010 223 1HH2 ARG 30 1HH2 ARG 30 10.484 -10.568 -1.711 224 2HH2 ARG 30 2HH2 ARG 30 10.189 -12.257 -1.469 225 H ASN 31 H ASN 31 6.267 -4.662 -1.131 226 HA ASN 31 HA ASN 31 7.264 -3.116 1.137 227 1HB ASN 31 1HB ASN 31 8.843 -3.753 -0.638 228 2HB ASN 31 2HB ASN 31 7.862 -2.895 -1.816 229 2HD2 ASN 31 2HD2 ASN 31 10.038 -2.568 0.885 230 1HD2 ASN 31 1HD2 ASN 31 10.353 -0.885 0.657 231 H VAL 32 H VAL 32 4.544 -3.174 -0.831 232 HA VAL 32 HA VAL 32 3.916 -0.408 -0.124 233 HB VAL 32 HB VAL 32 3.250 0.185 -2.368 234 1HG1 VAL 32 1HG1 VAL 32 5.621 0.572 -1.663 235 2HG1 VAL 32 2HG1 VAL 32 6.049 -0.951 -2.430 236 3HG1 VAL 32 3HG1 VAL 32 5.448 0.357 -3.394 237 1HG2 VAL 32 1HG2 VAL 32 3.747 -2.657 -2.933 238 2HG2 VAL 32 2HG2 VAL 32 2.540 -1.562 -3.562 239 3HG2 VAL 32 3HG2 VAL 32 4.170 -1.506 -4.205 240 H HIS 33 H HIS 33 1.580 0.108 -0.630 241 HA HIS 33 HA HIS 33 -0.070 -2.343 -0.598 242 1HB HIS 33 1HB HIS 33 -1.603 -0.929 1.004 243 2HB HIS 33 2HB HIS 33 -0.235 -1.831 1.635 244 HD1 HIS 33 HD1 HIS 33 0.746 -0.511 3.449 245 HD2 HIS 33 HD2 HIS 33 -0.472 1.890 0.294 246 HE1 HIS 33 HE1 HIS 33 1.412 1.828 4.089 247 HE2 HIS 33 HE2 HIS 33 0.819 3.237 2.088 248 H ALA 34 H ALA 34 -2.208 -2.151 -1.355 249 HA ALA 34 HA ALA 34 -2.564 0.133 -3.190 250 1HB ALA 34 1HB ALA 34 -3.861 -2.552 -3.508 251 2HB ALA 34 2HB ALA 34 -2.267 -2.197 -4.143 252 3HB ALA 34 3HB ALA 34 -3.650 -1.276 -4.702 253 H ILE 35 H ILE 35 -4.588 1.098 -3.395 254 HA ILE 35 HA ILE 35 -6.461 0.533 -1.170 255 HB ILE 35 HB ILE 35 -6.158 3.120 -2.679 256 1HG1 ILE 35 1HG1 ILE 35 -5.363 3.472 0.004 257 2HG1 ILE 35 2HG1 ILE 35 -4.555 2.001 -0.513 258 1HG2 ILE 35 1HG2 ILE 35 -7.714 2.359 -0.214 259 2HG2 ILE 35 2HG2 ILE 35 -7.472 4.018 -0.759 260 3HG2 ILE 35 3HG2 ILE 35 -8.357 2.883 -1.769 261 1HD1 ILE 35 1HD1 ILE 35 -3.945 3.504 -2.608 262 2HD1 ILE 35 2HD1 ILE 35 -4.209 4.790 -1.426 263 3HD1 ILE 35 3HD1 ILE 35 -3.027 3.524 -1.103 264 H VAL 36 H VAL 36 -8.211 -0.521 -1.837 265 HA VAL 36 HA VAL 36 -9.061 -0.428 -4.595 266 HB VAL 36 HB VAL 36 -10.283 -1.857 -2.249 267 1HG1 VAL 36 1HG1 VAL 36 -10.768 -2.166 -5.207 268 2HG1 VAL 36 2HG1 VAL 36 -11.421 -3.206 -3.957 269 3HG1 VAL 36 3HG1 VAL 36 -11.906 -1.522 -4.039 270 1HG2 VAL 36 1HG2 VAL 36 -7.901 -2.480 -2.937 271 2HG2 VAL 36 2HG2 VAL 36 -9.096 -3.761 -2.872 272 3HG2 VAL 36 3HG2 VAL 36 -8.617 -3.094 -4.407 273 H LEU 37 H LEU 37 -10.188 1.199 -5.320 274 HA LEU 37 HA LEU 37 -12.503 2.155 -3.760 275 1HB LEU 37 1HB LEU 37 -11.879 4.441 -4.822 276 2HB LEU 37 2HB LEU 37 -11.129 3.921 -3.342 277 HG LEU 37 HG LEU 37 -9.254 2.991 -4.988 278 1HD1 LEU 37 1HD1 LEU 37 -10.563 3.623 -7.017 279 2HD1 LEU 37 2HD1 LEU 37 -10.351 5.305 -6.564 280 3HD1 LEU 37 3HD1 LEU 37 -8.953 4.306 -6.935 281 1HD2 LEU 37 1HD2 LEU 37 -9.684 5.635 -3.746 282 2HD2 LEU 37 2HD2 LEU 37 -8.422 4.433 -3.508 283 3HD2 LEU 37 3HD2 LEU 37 -8.376 5.494 -4.914 284 H LYS 38 H LYS 38 -14.193 3.049 -5.093 285 HA LYS 38 HA LYS 38 -14.279 1.720 -7.667 286 1HB LYS 38 1HB LYS 38 -16.283 3.080 -5.920 287 2HB LYS 38 2HB LYS 38 -16.647 2.919 -7.626 288 1HG LYS 38 1HG LYS 38 -16.157 0.463 -7.369 289 2HG LYS 38 2HG LYS 38 -17.640 1.068 -6.673 290 1HD LYS 38 1HD LYS 38 -15.116 0.817 -5.032 291 2HD LYS 38 2HD LYS 38 -16.199 -0.543 -5.275 292 1HE LYS 38 1HE LYS 38 -17.062 2.116 -4.146 293 2HE LYS 38 2HE LYS 38 -16.629 0.708 -3.183 294 1HZ LYS 38 1HZ LYS 38 -18.418 -0.517 -4.408 295 2HZ LYS 38 2HZ LYS 38 -18.961 0.718 -3.391 296 3HZ LYS 38 3HZ LYS 38 -18.908 0.968 -5.057 297 H GLU 39 H GLU 39 -14.945 2.765 -9.622 298 HA GLU 39 HA GLU 39 -13.384 4.938 -10.346 299 1HB GLU 39 1HB GLU 39 -15.032 3.192 -11.678 300 2HB GLU 39 2HB GLU 39 -15.921 4.692 -11.851 301 1HG GLU 39 1HG GLU 39 -14.547 5.436 -13.402 302 2HG GLU 39 2HG GLU 39 -13.114 5.114 -12.430 303 H GLY 40 H GLY 40 -13.432 6.950 -9.607 304 1HA GLY 40 1HA GLY 40 -14.710 9.040 -9.784 305 2HA GLY 40 2HA GLY 40 -16.086 8.195 -9.098 306 H SER 41 H SER 41 -13.662 6.862 -7.439 307 HA SER 41 HA SER 41 -14.187 8.321 -5.075 308 1HB SER 41 1HB SER 41 -13.528 5.952 -5.051 309 2HB SER 41 2HB SER 41 -11.947 6.385 -5.700 310 HG SER 41 HG SER 41 -13.025 6.953 -3.153 311 H ALA 42 H ALA 42 -11.933 8.815 -3.752 312 HA ALA 42 HA ALA 42 -10.841 11.136 -5.158 313 1HB ALA 42 1HB ALA 42 -10.014 11.824 -3.019 314 2HB ALA 42 2HB ALA 42 -10.407 10.260 -2.300 315 3HB ALA 42 3HB ALA 42 -11.697 11.332 -2.845 316 H MET 43 H MET 43 -9.330 10.394 -6.588 317 HA MET 43 HA MET 43 -7.051 8.920 -5.454 318 1HB MET 43 1HB MET 43 -6.725 7.997 -7.784 319 2HB MET 43 2HB MET 43 -8.058 7.359 -6.847 320 1HG MET 43 1HG MET 43 -9.106 9.551 -8.314 321 2HG MET 43 2HG MET 43 -9.469 7.841 -8.451 322 1HE MET 43 1HE MET 43 -8.060 6.219 -9.657 323 2HE MET 43 2HE MET 43 -7.272 6.550 -11.200 324 3HE MET 43 3HE MET 43 -6.387 6.777 -9.693 325 H THR 44 H THR 44 -5.581 10.474 -5.168 326 HA THR 44 HA THR 44 -5.322 12.729 -6.853 327 HB THR 44 HB THR 44 -2.886 12.619 -5.681 328 HG1 THR 44 HG1 THR 44 -3.415 10.497 -4.829 329 1HG2 THR 44 1HG2 THR 44 -4.531 14.363 -5.266 330 2HG2 THR 44 2HG2 THR 44 -5.402 13.280 -4.178 331 3HG2 THR 44 3HG2 THR 44 -3.767 13.804 -3.778 332 H LYS 45 H LYS 45 -3.429 13.260 -8.166 333 HA LYS 45 HA LYS 45 -2.782 11.010 -9.917 334 1HB LYS 45 1HB LYS 45 -2.690 13.980 -10.112 335 2HB LYS 45 2HB LYS 45 -1.537 13.072 -11.082 336 1HG LYS 45 1HG LYS 45 -3.865 11.731 -11.620 337 2HG LYS 45 2HG LYS 45 -4.438 13.376 -11.355 338 1HD LYS 45 1HD LYS 45 -3.945 13.650 -13.518 339 2HD LYS 45 2HD LYS 45 -2.297 13.890 -12.944 340 1HE LYS 45 1HE LYS 45 -3.404 11.191 -13.737 341 2HE LYS 45 2HE LYS 45 -2.593 12.278 -14.859 342 1HZ LYS 45 1HZ LYS 45 -0.618 12.204 -13.456 343 2HZ LYS 45 2HZ LYS 45 -1.396 11.143 -12.387 344 3HZ LYS 45 3HZ LYS 45 -1.061 10.653 -13.970 345 H ASP 46 H ASP 46 -1.300 12.907 -7.436 346 HA ASP 46 HA ASP 46 1.359 12.846 -7.987 347 1HB ASP 46 1HB ASP 46 -0.064 12.322 -5.374 348 2HB ASP 46 2HB ASP 46 1.685 12.529 -5.475 349 H PHE 47 H PHE 47 3.027 11.399 -7.921 350 HA PHE 47 HA PHE 47 2.285 8.603 -8.162 351 1HB PHE 47 1HB PHE 47 3.839 9.442 -9.766 352 2HB PHE 47 2HB PHE 47 4.891 10.081 -8.508 353 HD1 PHE 47 HD1 PHE 47 3.835 7.090 -10.306 354 HD2 PHE 47 HD2 PHE 47 6.310 8.606 -7.188 355 HE1 PHE 47 HE1 PHE 47 5.075 4.981 -10.262 356 HE2 PHE 47 HE2 PHE 47 7.543 6.499 -7.141 357 HZ PHE 47 HZ PHE 47 6.915 4.660 -8.672 358 H ARG 48 H ARG 48 2.549 7.059 -6.670 359 HA ARG 48 HA ARG 48 4.396 7.440 -4.424 360 1HB ARG 48 1HB ARG 48 1.413 7.174 -4.173 361 2HB ARG 48 2HB ARG 48 2.471 6.598 -2.901 362 1HG ARG 48 1HG ARG 48 3.412 8.855 -2.691 363 2HG ARG 48 2HG ARG 48 2.304 9.416 -3.945 364 1HD ARG 48 1HD ARG 48 0.423 8.653 -2.514 365 2HD ARG 48 2HD ARG 48 1.356 9.974 -1.855 366 HE ARG 48 HE ARG 48 1.842 7.173 -1.031 367 1HH1 ARG 48 1HH1 ARG 48 0.945 10.464 -0.155 368 2HH1 ARG 48 2HH1 ARG 48 1.068 10.150 1.529 369 1HH2 ARG 48 1HH2 ARG 48 1.993 6.804 1.202 370 2HH2 ARG 48 2HH2 ARG 48 1.658 8.092 2.310 371 H CYS 49 H CYS 49 5.622 5.679 -4.573 372 HA CYS 49 HA CYS 49 4.919 3.286 -5.815 373 1HB CYS 49 1HB CYS 49 7.032 3.877 -3.767 374 2HB CYS 49 2HB CYS 49 6.896 2.318 -4.572 375 H ASP 50 H ASP 50 4.683 4.253 -2.441 376 HA ASP 50 HA ASP 50 3.863 1.658 -1.558 377 1HB ASP 50 1HB ASP 50 3.403 2.756 0.598 378 2HB ASP 50 2HB ASP 50 5.037 3.009 -0.004 379 H ARG 51 H ARG 51 2.257 4.036 -3.262 380 HA ARG 51 HA ARG 51 -0.328 3.134 -2.207 381 1HB ARG 51 1HB ARG 51 0.328 5.579 -1.877 382 2HB ARG 51 2HB ARG 51 0.155 5.741 -3.616 383 1HG ARG 51 1HG ARG 51 -2.209 4.801 -3.299 384 2HG ARG 51 2HG ARG 51 -1.916 5.115 -1.584 385 1HD ARG 51 1HD ARG 51 -1.377 7.456 -2.161 386 2HD ARG 51 2HD ARG 51 -3.058 6.995 -2.422 387 HE ARG 51 HE ARG 51 -2.119 6.594 -4.857 388 1HH1 ARG 51 1HH1 ARG 51 -1.541 9.307 -2.684 389 2HH1 ARG 51 2HH1 ARG 51 -1.287 10.413 -3.974 390 1HH2 ARG 51 1HH2 ARG 51 -1.838 8.113 -6.529 391 2HH2 ARG 51 2HH2 ARG 51 -1.446 9.746 -6.148 392 H VAL 52 H VAL 52 -1.030 1.612 -3.554 393 HA VAL 52 HA VAL 52 -0.829 2.089 -6.466 394 HB VAL 52 HB VAL 52 -1.413 -0.485 -5.011 395 1HG1 VAL 52 1HG1 VAL 52 -1.135 0.196 -7.910 396 2HG1 VAL 52 2HG1 VAL 52 -0.921 -1.444 -7.326 397 3HG1 VAL 52 3HG1 VAL 52 -2.459 -0.622 -7.106 398 1HG2 VAL 52 1HG2 VAL 52 1.119 0.693 -6.016 399 2HG2 VAL 52 2HG2 VAL 52 0.801 -0.225 -4.557 400 3HG2 VAL 52 3HG2 VAL 52 0.904 -1.042 -6.107 401 H TRP 53 H TRP 53 -2.650 2.851 -7.379 402 HA TRP 53 HA TRP 53 -5.109 2.863 -5.902 403 1HB TRP 53 1HB TRP 53 -4.305 3.861 -8.616 404 2HB TRP 53 2HB TRP 53 -5.996 3.844 -8.154 405 HD1 TRP 53 HD1 TRP 53 -3.950 6.418 -8.733 406 HE1 TRP 53 HE1 TRP 53 -4.069 8.349 -7.035 407 HE3 TRP 53 HE3 TRP 53 -6.055 3.937 -4.814 408 HZ2 TRP 53 HZ2 TRP 53 -4.904 8.746 -4.376 409 HZ3 TRP 53 HZ3 TRP 53 -6.479 5.154 -2.736 410 HH2 TRP 53 HH2 TRP 53 -5.922 7.513 -2.518 411 H VAL 54 H VAL 54 -6.905 1.657 -6.149 412 HA VAL 54 HA VAL 54 -6.901 -0.361 -8.317 413 HB VAL 54 HB VAL 54 -7.531 -0.747 -5.403 414 1HG1 VAL 54 1HG1 VAL 54 -8.435 -2.293 -7.780 415 2HG1 VAL 54 2HG1 VAL 54 -8.003 -3.183 -6.329 416 3HG1 VAL 54 3HG1 VAL 54 -9.261 -1.970 -6.267 417 1HG2 VAL 54 1HG2 VAL 54 -5.176 -0.956 -6.125 418 2HG2 VAL 54 2HG2 VAL 54 -5.855 -2.431 -5.441 419 3HG2 VAL 54 3HG2 VAL 54 -5.673 -2.273 -7.185 420 H ILE 55 H ILE 55 -8.230 1.077 -9.487 421 HA ILE 55 HA ILE 55 -10.747 1.948 -8.416 422 HB ILE 55 HB ILE 55 -9.879 1.974 -11.287 423 1HG1 ILE 55 1HG1 ILE 55 -9.708 4.471 -9.704 424 2HG1 ILE 55 2HG1 ILE 55 -8.538 3.253 -9.240 425 1HG2 ILE 55 1HG2 ILE 55 -11.988 3.493 -9.772 426 2HG2 ILE 55 2HG2 ILE 55 -11.461 3.906 -11.403 427 3HG2 ILE 55 3HG2 ILE 55 -12.224 2.351 -11.096 428 1HD1 ILE 55 1HD1 ILE 55 -8.258 3.222 -11.921 429 2HD1 ILE 55 2HD1 ILE 55 -8.695 4.885 -11.641 430 3HD1 ILE 55 3HD1 ILE 55 -7.309 4.185 -10.824 431 H VAL 56 H VAL 56 -12.531 0.767 -8.312 432 HA VAL 56 HA VAL 56 -12.858 -1.459 -10.195 433 HB VAL 56 HB VAL 56 -14.168 -2.589 -8.442 434 1HG1 VAL 56 1HG1 VAL 56 -11.289 -2.140 -8.368 435 2HG1 VAL 56 2HG1 VAL 56 -11.949 -2.666 -6.827 436 3HG1 VAL 56 3HG1 VAL 56 -12.206 -3.635 -8.248 437 1HG2 VAL 56 1HG2 VAL 56 -13.227 -0.324 -6.703 438 2HG2 VAL 56 2HG2 VAL 56 -14.862 -0.765 -7.125 439 3HG2 VAL 56 3HG2 VAL 56 -13.933 -1.813 -6.099 440 H ASN 57 H ASN 57 -15.100 -2.070 -10.638 441 HA ASN 57 HA ASN 57 -16.655 0.302 -11.211 442 1HB ASN 57 1HB ASN 57 -16.470 -1.518 -12.844 443 2HB ASN 57 2HB ASN 57 -18.135 -1.213 -12.427 444 2HD2 ASN 57 2HD2 ASN 57 -17.492 -3.548 -13.617 445 1HD2 ASN 57 1HD2 ASN 57 -17.628 -4.839 -12.478 446 H ASP 58 H ASP 58 -19.236 -0.403 -11.014 447 HA ASP 58 HA ASP 58 -19.856 0.140 -8.347 448 1HB ASP 58 1HB ASP 58 -21.237 0.186 -10.720 449 2HB ASP 58 2HB ASP 58 -21.995 -1.185 -9.920 450 H HIS 59 H HIS 59 -19.201 -2.884 -9.883 451 HA HIS 59 HA HIS 59 -20.513 -4.405 -7.777 452 1HB HIS 59 1HB HIS 59 -19.810 -4.887 -10.532 453 2HB HIS 59 2HB HIS 59 -19.070 -6.126 -9.526 454 HD1 HIS 59 HD1 HIS 59 -21.328 -6.413 -7.418 455 HD2 HIS 59 HD2 HIS 59 -21.911 -6.302 -11.531 456 HE1 HIS 59 HE1 HIS 59 -23.528 -7.562 -7.815 457 HE2 HIS 59 HE2 HIS 59 -23.895 -7.421 -10.304 458 H GLY 60 H GLY 60 -17.503 -2.977 -8.228 459 1HA GLY 60 1HA GLY 60 -15.781 -3.075 -6.680 460 2HA GLY 60 2HA GLY 60 -16.380 -4.614 -6.088 461 H VAL 61 H VAL 61 -16.027 -4.073 -9.510 462 HA VAL 61 HA VAL 61 -13.912 -6.101 -9.598 463 HB VAL 61 HB VAL 61 -15.502 -4.931 -11.877 464 1HG1 VAL 61 1HG1 VAL 61 -13.704 -7.327 -11.710 465 2HG1 VAL 61 2HG1 VAL 61 -14.730 -6.931 -13.089 466 3HG1 VAL 61 3HG1 VAL 61 -13.421 -5.850 -12.629 467 1HG2 VAL 61 1HG2 VAL 61 -15.961 -7.433 -10.266 468 2HG2 VAL 61 2HG2 VAL 61 -17.041 -6.050 -10.426 469 3HG2 VAL 61 3HG2 VAL 61 -16.745 -7.095 -11.811 470 H VAL 62 H VAL 62 -11.876 -5.633 -10.262 471 HA VAL 62 HA VAL 62 -11.024 -2.921 -10.356 472 HB VAL 62 HB VAL 62 -9.476 -5.369 -11.230 473 1HG1 VAL 62 1HG1 VAL 62 -8.580 -2.601 -10.405 474 2HG1 VAL 62 2HG1 VAL 62 -7.526 -3.987 -10.666 475 3HG1 VAL 62 3HG1 VAL 62 -8.445 -3.339 -12.001 476 1HG2 VAL 62 1HG2 VAL 62 -10.512 -5.019 -8.741 477 2HG2 VAL 62 2HG2 VAL 62 -9.030 -5.870 -9.102 478 3HG2 VAL 62 3HG2 VAL 62 -8.971 -4.196 -8.573 479 H THR 63 H THR 63 -11.680 -1.658 -11.985 480 HA THR 63 HA THR 63 -11.841 -2.689 -14.710 481 HB THR 63 HB THR 63 -12.865 -0.588 -15.257 482 HG1 THR 63 HG1 THR 63 -11.837 0.969 -14.178 483 1HG2 THR 63 1HG2 THR 63 -14.302 -2.192 -14.044 484 2HG2 THR 63 2HG2 THR 63 -13.895 -1.356 -12.543 485 3HG2 THR 63 3HG2 THR 63 -14.768 -0.506 -13.816 486 H SER 64 H SER 64 -9.849 -0.493 -12.788 487 HA SER 64 HA SER 64 -8.255 0.164 -15.172 488 1HB SER 64 1HB SER 64 -9.131 1.792 -13.234 489 2HB SER 64 2HB SER 64 -7.577 1.342 -12.527 490 HG SER 64 HG SER 64 -6.553 2.173 -14.303 491 H VAL 65 H VAL 65 -5.965 0.074 -15.073 492 HA VAL 65 HA VAL 65 -4.983 -2.419 -14.096 493 HB VAL 65 HB VAL 65 -3.244 -0.179 -15.091 494 1HG1 VAL 65 1HG1 VAL 65 -2.940 -3.056 -14.596 495 2HG1 VAL 65 2HG1 VAL 65 -2.308 -2.516 -16.154 496 3HG1 VAL 65 3HG1 VAL 65 -1.749 -1.768 -14.665 497 1HG2 VAL 65 1HG2 VAL 65 -5.233 -1.771 -16.610 498 2HG2 VAL 65 2HG2 VAL 65 -4.667 -0.133 -16.835 499 3HG2 VAL 65 3HG2 VAL 65 -3.673 -1.479 -17.363 500 1HB PRO 66 1HB PRO 66 -4.129 -2.433 -8.610 501 2HB PRO 66 2HB PRO 66 -2.990 -3.378 -9.558 502 1HG PRO 66 1HG PRO 66 -4.964 -4.452 -10.090 503 2HG PRO 66 2HG PRO 66 -5.915 -3.011 -9.910 504 1HD PRO 66 1HD PRO 66 -5.813 -3.083 -12.210 505 2HD PRO 66 2HD PRO 66 -4.237 -3.851 -12.225 506 H HIS 67 H HIS 67 -2.326 0.685 -10.449 507 HA HIS 67 HA HIS 67 0.322 -0.570 -10.539 508 1HB HIS 67 1HB HIS 67 1.064 1.003 -12.264 509 2HB HIS 67 2HB HIS 67 -0.265 0.013 -12.846 510 HD1 HIS 67 HD1 HIS 67 0.189 2.515 -14.360 511 HD2 HIS 67 HD2 HIS 67 -2.221 2.424 -10.982 512 HE1 HIS 67 HE1 HIS 67 -1.332 4.509 -14.548 513 HE2 HIS 67 HE2 HIS 67 -2.819 4.385 -12.519 514 H ILE 68 H ILE 68 1.920 0.484 -9.549 515 HA ILE 68 HA ILE 68 1.553 1.980 -7.343 516 HB ILE 68 HB ILE 68 3.800 1.388 -9.134 517 1HG1 ILE 68 1HG1 ILE 68 3.668 1.720 -6.152 518 2HG1 ILE 68 2HG1 ILE 68 3.273 0.244 -6.989 519 1HG2 ILE 68 1HG2 ILE 68 3.873 3.974 -7.597 520 2HG2 ILE 68 2HG2 ILE 68 5.321 3.091 -8.057 521 3HG2 ILE 68 3HG2 ILE 68 4.223 3.632 -9.289 522 1HD1 ILE 68 1HD1 ILE 68 5.610 0.288 -7.928 523 2HD1 ILE 68 2HD1 ILE 68 5.955 1.558 -6.768 524 3HD1 ILE 68 3HD1 ILE 68 5.456 -0.030 -6.210 525 H THR 69 H THR 69 0.353 3.770 -7.163 526 HA THR 69 HA THR 69 1.189 6.184 -8.535 527 HB THR 69 HB THR 69 -1.517 4.936 -9.053 528 HG1 THR 69 HG1 THR 69 -0.172 4.291 -10.612 529 1HG2 THR 69 1HG2 THR 69 -0.604 7.737 -9.663 530 2HG2 THR 69 2HG2 THR 69 -2.005 6.961 -10.385 531 3HG2 THR 69 3HG2 THR 69 -1.965 7.264 -8.657 No H/Q in entry = 531 Start of MODEL 9 1 H SER 1 H SER 1 16.069 6.337 -9.757 2 HA SER 1 HA SER 1 14.711 8.015 -10.628 3 1HB SER 1 1HB SER 1 14.211 8.236 -12.963 4 2HB SER 1 2HB SER 1 15.833 7.586 -12.769 5 HG SER 1 HG SER 1 14.790 5.447 -13.026 6 H ARG 2 H ARG 2 12.927 5.058 -11.611 7 HA ARG 2 HA ARG 2 10.639 5.810 -10.005 8 1HB ARG 2 1HB ARG 2 9.051 5.697 -11.920 9 2HB ARG 2 2HB ARG 2 10.112 7.096 -11.951 10 1HG ARG 2 1HG ARG 2 10.791 6.592 -13.976 11 2HG ARG 2 2HG ARG 2 11.416 5.042 -13.433 12 1HD ARG 2 1HD ARG 2 9.199 4.037 -13.757 13 2HD ARG 2 2HD ARG 2 9.833 4.719 -15.234 14 HE ARG 2 HE ARG 2 7.470 5.519 -13.842 15 1HH1 ARG 2 1HH1 ARG 2 10.045 6.704 -15.925 16 2HH1 ARG 2 2HH1 ARG 2 9.092 7.994 -16.542 17 1HH2 ARG 2 1HH2 ARG 2 6.229 7.238 -14.698 18 2HH2 ARG 2 2HH2 ARG 2 6.939 8.305 -15.866 19 H ARG 3 H ARG 3 11.934 3.754 -9.317 20 HA ARG 3 HA ARG 3 10.246 1.508 -10.043 21 1HB ARG 3 1HB ARG 3 12.190 1.580 -11.697 22 2HB ARG 3 2HB ARG 3 13.236 1.170 -10.353 23 1HG ARG 3 1HG ARG 3 12.784 -0.968 -10.641 24 2HG ARG 3 2HG ARG 3 11.081 -0.679 -10.287 25 1HD ARG 3 1HD ARG 3 11.358 -1.776 -12.449 26 2HD ARG 3 2HD ARG 3 10.672 -0.167 -12.631 27 HE ARG 3 HE ARG 3 12.514 0.476 -13.803 28 1HH1 ARG 3 1HH1 ARG 3 13.267 -2.506 -12.102 29 2HH1 ARG 3 2HH1 ARG 3 14.787 -2.695 -12.887 30 1HH2 ARG 3 1HH2 ARG 3 14.538 0.195 -14.829 31 2HH2 ARG 3 2HH2 ARG 3 15.517 -1.177 -14.427 32 H CYS 4 H CYS 4 9.582 1.408 -7.935 33 HA CYS 4 HA CYS 4 11.626 1.111 -5.850 34 1HB CYS 4 1HB CYS 4 9.819 1.459 -4.264 35 2HB CYS 4 2HB CYS 4 8.643 1.378 -5.563 36 1HB PRO 5 1HB PRO 5 10.212 -2.567 -2.519 37 2HB PRO 5 2HB PRO 5 11.541 -3.654 -2.884 38 1HG PRO 5 1HG PRO 5 11.985 -1.235 -1.858 39 2HG PRO 5 2HG PRO 5 13.064 -1.914 -3.091 40 1HD PRO 5 1HD PRO 5 11.054 0.243 -3.324 41 2HD PRO 5 2HD PRO 5 12.543 -0.002 -4.240 42 H GLY 6 H GLY 6 10.104 -4.729 -5.865 43 1HA GLY 6 1HA GLY 6 8.145 -5.934 -5.968 44 2HA GLY 6 2HA GLY 6 7.315 -4.689 -5.079 45 H LYS 7 H LYS 7 6.359 -6.029 -7.389 46 HA LYS 7 HA LYS 7 6.700 -4.787 -9.815 47 1HB LYS 7 1HB LYS 7 5.371 -6.809 -9.391 48 2HB LYS 7 2HB LYS 7 4.114 -5.835 -8.694 49 1HG LYS 7 1HG LYS 7 3.624 -4.796 -10.732 50 2HG LYS 7 2HG LYS 7 5.066 -5.440 -11.506 51 1HD LYS 7 1HD LYS 7 3.225 -7.456 -10.346 52 2HD LYS 7 2HD LYS 7 2.571 -6.549 -11.694 53 1HE LYS 7 1HE LYS 7 5.323 -7.550 -12.070 54 2HE LYS 7 2HE LYS 7 4.063 -8.772 -11.929 55 1HZ LYS 7 1HZ LYS 7 3.974 -6.495 -13.839 56 2HZ LYS 7 2HZ LYS 7 4.481 -8.043 -14.229 57 3HZ LYS 7 3HZ LYS 7 2.880 -7.815 -13.735 58 H ASN 8 H ASN 8 5.743 -3.053 -10.913 59 HA ASN 8 HA ASN 8 4.687 -0.934 -9.148 60 1HB ASN 8 1HB ASN 8 6.365 -0.982 -11.607 61 2HB ASN 8 2HB ASN 8 5.274 0.392 -11.414 62 2HD2 ASN 8 2HD2 ASN 8 5.699 1.929 -9.881 63 1HD2 ASN 8 1HD2 ASN 8 7.145 1.937 -8.944 64 H ALA 9 H ALA 9 3.687 -3.039 -11.666 65 HA ALA 9 HA ALA 9 1.103 -1.701 -11.742 66 1HB ALA 9 1HB ALA 9 2.661 -2.355 -14.231 67 2HB ALA 9 2HB ALA 9 0.998 -1.755 -14.174 68 3HB ALA 9 3HB ALA 9 2.319 -0.733 -13.625 69 H TRP 10 H TRP 10 -0.615 -3.067 -12.308 70 HA TRP 10 HA TRP 10 0.067 -5.922 -12.632 71 1HB TRP 10 1HB TRP 10 -1.795 -4.688 -10.598 72 2HB TRP 10 2HB TRP 10 -1.825 -6.382 -11.046 73 HD1 TRP 10 HD1 TRP 10 0.039 -7.972 -10.078 74 HE1 TRP 10 HE1 TRP 10 1.840 -7.648 -8.268 75 HE3 TRP 10 HE3 TRP 10 -0.187 -2.900 -9.602 76 HZ2 TRP 10 HZ2 TRP 10 3.008 -5.508 -6.826 77 HZ3 TRP 10 HZ3 TRP 10 1.296 -1.779 -7.999 78 HH2 TRP 10 HH2 TRP 10 2.855 -3.062 -6.626 79 1HB PRO 11 1HB PRO 11 -2.016 -5.913 -17.734 80 2HB PRO 11 2HB PRO 11 -1.694 -4.198 -17.477 81 1HG PRO 11 1HG PRO 11 -0.082 -6.565 -16.648 82 2HG PRO 11 2HG PRO 11 0.459 -4.996 -17.263 83 1HD PRO 11 1HD PRO 11 0.600 -5.607 -14.667 84 2HD PRO 11 2HD PRO 11 0.210 -3.958 -15.203 85 H GLU 12 H GLU 12 -1.745 -7.468 -14.954 86 HA GLU 12 HA GLU 12 -3.817 -9.067 -15.996 87 1HB GLU 12 1HB GLU 12 -2.929 -10.826 -14.487 88 2HB GLU 12 2HB GLU 12 -1.703 -10.045 -15.484 89 1HG GLU 12 1HG GLU 12 -2.042 -8.743 -12.890 90 2HG GLU 12 2HG GLU 12 -1.589 -10.442 -12.773 91 H LEU 13 H LEU 13 -3.850 -6.967 -13.302 92 HA LEU 13 HA LEU 13 -5.795 -8.468 -11.803 93 1HB LEU 13 1HB LEU 13 -4.586 -5.734 -11.504 94 2HB LEU 13 2HB LEU 13 -5.939 -6.226 -10.514 95 HG LEU 13 HG LEU 13 -3.190 -7.467 -10.577 96 1HD1 LEU 13 1HD1 LEU 13 -4.704 -5.900 -8.520 97 2HD1 LEU 13 2HD1 LEU 13 -3.249 -6.806 -8.156 98 3HD1 LEU 13 3HD1 LEU 13 -3.226 -5.466 -9.281 99 1HD2 LEU 13 1HD2 LEU 13 -5.759 -8.452 -9.419 100 2HD2 LEU 13 2HD2 LEU 13 -4.490 -9.324 -10.275 101 3HD2 LEU 13 3HD2 LEU 13 -4.233 -8.814 -8.617 102 H VAL 14 H VAL 14 -5.804 -6.263 -14.402 103 HA VAL 14 HA VAL 14 -8.304 -5.021 -14.034 104 HB VAL 14 HB VAL 14 -7.027 -5.758 -16.682 105 1HG1 VAL 14 1HG1 VAL 14 -9.117 -3.731 -15.891 106 2HG1 VAL 14 2HG1 VAL 14 -8.233 -3.661 -17.416 107 3HG1 VAL 14 3HG1 VAL 14 -9.256 -5.048 -17.054 108 1HG2 VAL 14 1HG2 VAL 14 -5.639 -4.381 -14.885 109 2HG2 VAL 14 2HG2 VAL 14 -5.687 -3.943 -16.577 110 3HG2 VAL 14 3HG2 VAL 14 -6.686 -3.077 -15.417 111 H GLY 15 H GLY 15 -10.184 -6.097 -13.740 112 1HA GLY 15 1HA GLY 15 -11.965 -7.282 -14.851 113 2HA GLY 15 2HA GLY 15 -10.785 -8.374 -15.551 114 H LYS 16 H LYS 16 -9.737 -7.864 -12.470 115 HA LYS 16 HA LYS 16 -11.096 -10.305 -11.513 116 1HB LYS 16 1HB LYS 16 -8.461 -9.011 -10.870 117 2HB LYS 16 2HB LYS 16 -9.167 -10.196 -9.791 118 1HG LYS 16 1HG LYS 16 -9.276 -11.370 -12.338 119 2HG LYS 16 2HG LYS 16 -7.718 -10.547 -12.264 120 1HD LYS 16 1HD LYS 16 -7.711 -11.739 -9.835 121 2HD LYS 16 2HD LYS 16 -8.755 -12.857 -10.717 122 1HE LYS 16 1HE LYS 16 -6.444 -13.568 -10.826 123 2HE LYS 16 2HE LYS 16 -5.972 -11.997 -11.501 124 1HZ LYS 16 1HZ LYS 16 -7.940 -13.781 -12.835 125 2HZ LYS 16 2HZ LYS 16 -7.090 -12.473 -13.490 126 3HZ LYS 16 3HZ LYS 16 -6.270 -13.894 -13.113 127 H SER 17 H SER 17 -11.125 -10.304 -8.963 128 HA SER 17 HA SER 17 -12.984 -8.250 -8.236 129 1HB SER 17 1HB SER 17 -13.324 -9.447 -6.264 130 2HB SER 17 2HB SER 17 -12.854 -10.712 -7.393 131 HG SER 17 HG SER 17 -11.767 -10.728 -5.298 132 H GLY 18 H GLY 18 -12.676 -6.415 -7.044 133 1HA GLY 18 1HA GLY 18 -10.249 -5.128 -6.903 134 2HA GLY 18 2HA GLY 18 -11.600 -4.795 -5.838 135 H ASN 19 H ASN 19 -11.581 -7.484 -4.667 136 HA ASN 19 HA ASN 19 -9.718 -6.972 -2.568 137 1HB ASN 19 1HB ASN 19 -11.768 -9.052 -3.189 138 2HB ASN 19 2HB ASN 19 -10.488 -9.524 -2.080 139 2HD2 ASN 19 2HD2 ASN 19 -10.024 -7.802 -0.347 140 1HD2 ASN 19 1HD2 ASN 19 -11.434 -7.154 0.414 141 H MET 20 H MET 20 -9.896 -9.398 -5.162 142 HA MET 20 HA MET 20 -7.508 -10.741 -4.467 143 1HB MET 20 1HB MET 20 -9.439 -11.335 -6.184 144 2HB MET 20 2HB MET 20 -8.405 -10.523 -7.333 145 1HG MET 20 1HG MET 20 -7.665 -12.639 -7.583 146 2HG MET 20 2HG MET 20 -6.558 -12.116 -6.323 147 1HE MET 20 1HE MET 20 -5.946 -13.951 -4.770 148 2HE MET 20 2HE MET 20 -6.831 -12.806 -3.762 149 3HE MET 20 3HE MET 20 -7.107 -14.535 -3.576 150 H ALA 21 H ALA 21 -8.196 -7.838 -6.291 151 HA ALA 21 HA ALA 21 -5.675 -7.554 -7.524 152 1HB ALA 21 1HB ALA 21 -7.960 -5.720 -6.976 153 2HB ALA 21 2HB ALA 21 -7.310 -6.286 -8.510 154 3HB ALA 21 3HB ALA 21 -6.443 -5.060 -7.582 155 H ALA 22 H ALA 22 -7.045 -5.736 -4.789 156 HA ALA 22 HA ALA 22 -4.719 -4.460 -3.990 157 1HB ALA 22 1HB ALA 22 -5.931 -4.778 -1.592 158 2HB ALA 22 2HB ALA 22 -6.428 -3.621 -2.812 159 3HB ALA 22 3HB ALA 22 -7.276 -5.157 -2.677 160 H ALA 23 H ALA 23 -5.883 -7.690 -3.176 161 HA ALA 23 HA ALA 23 -3.914 -8.303 -1.236 162 1HB ALA 23 1HB ALA 23 -5.957 -9.591 -1.433 163 2HB ALA 23 2HB ALA 23 -4.560 -10.648 -1.619 164 3HB ALA 23 3HB ALA 23 -5.484 -10.147 -3.038 165 H THR 24 H THR 24 -4.068 -8.861 -4.742 166 HA THR 24 HA THR 24 -1.678 -10.312 -4.992 167 HB THR 24 HB THR 24 -2.991 -8.449 -6.973 168 HG1 THR 24 HG1 THR 24 -3.257 -11.258 -6.563 169 1HG2 THR 24 1HG2 THR 24 -0.943 -10.606 -7.397 170 2HG2 THR 24 2HG2 THR 24 -1.915 -9.880 -8.684 171 3HG2 THR 24 3HG2 THR 24 -0.786 -8.889 -7.778 172 H VAL 25 H VAL 25 -2.301 -6.832 -5.082 173 HA VAL 25 HA VAL 25 0.335 -6.043 -5.766 174 HB VAL 25 HB VAL 25 -1.625 -4.413 -4.129 175 1HG1 VAL 25 1HG1 VAL 25 0.997 -3.876 -5.054 176 2HG1 VAL 25 2HG1 VAL 25 -0.102 -2.932 -6.041 177 3HG1 VAL 25 3HG1 VAL 25 -0.157 -2.777 -4.312 178 1HG2 VAL 25 1HG2 VAL 25 -1.689 -5.221 -6.983 179 2HG2 VAL 25 2HG2 VAL 25 -2.984 -4.780 -5.877 180 3HG2 VAL 25 3HG2 VAL 25 -2.029 -3.527 -6.639 181 H GLU 26 H GLU 26 -1.301 -6.138 -2.585 182 HA GLU 26 HA GLU 26 1.018 -5.388 -1.122 183 1HB GLU 26 1HB GLU 26 -0.202 -5.931 0.829 184 2HB GLU 26 2HB GLU 26 -1.294 -7.010 -0.039 185 1HG GLU 26 1HG GLU 26 -1.424 -4.365 -1.200 186 2HG GLU 26 2HG GLU 26 -2.683 -5.372 -0.482 187 H ARG 27 H ARG 27 -0.168 -8.477 -2.288 188 HA ARG 27 HA ARG 27 1.567 -10.049 -0.613 189 1HB ARG 27 1HB ARG 27 -0.634 -10.774 -1.714 190 2HB ARG 27 2HB ARG 27 0.308 -10.993 -3.191 191 1HG ARG 27 1HG ARG 27 1.710 -12.306 -1.121 192 2HG ARG 27 2HG ARG 27 0.005 -12.701 -0.908 193 1HD ARG 27 1HD ARG 27 -0.055 -13.286 -3.364 194 2HD ARG 27 2HD ARG 27 0.863 -14.367 -2.322 195 HE ARG 27 HE ARG 27 1.861 -12.820 -4.490 196 1HH1 ARG 27 1HH1 ARG 27 2.748 -14.066 -1.319 197 2HH1 ARG 27 2HH1 ARG 27 4.429 -14.052 -1.671 198 1HH2 ARG 27 1HH2 ARG 27 4.106 -12.841 -4.927 199 2HH2 ARG 27 2HH2 ARG 27 5.209 -13.382 -3.704 200 H GLU 28 H GLU 28 1.546 -9.288 -4.102 201 HA GLU 28 HA GLU 28 4.090 -10.464 -4.600 202 1HB GLU 28 1HB GLU 28 2.559 -8.375 -6.172 203 2HB GLU 28 2HB GLU 28 3.984 -9.238 -6.754 204 1HG GLU 28 1HG GLU 28 2.602 -11.370 -6.280 205 2HG GLU 28 2HG GLU 28 1.225 -10.284 -6.252 206 H ASN 29 H ASN 29 3.034 -7.153 -3.889 207 HA ASN 29 HA ASN 29 5.882 -6.372 -3.638 208 1HB ASN 29 1HB ASN 29 4.686 -5.177 -5.414 209 2HB ASN 29 2HB ASN 29 3.480 -4.636 -4.256 210 2HD2 ASN 29 2HD2 ASN 29 5.125 -2.971 -5.885 211 1HD2 ASN 29 1HD2 ASN 29 6.185 -2.091 -4.855 212 H ARG 30 H ARG 30 5.860 -7.245 -1.483 213 HA ARG 30 HA ARG 30 4.109 -6.318 0.540 214 1HB ARG 30 1HB ARG 30 5.632 -8.359 0.584 215 2HB ARG 30 2HB ARG 30 6.956 -7.265 0.966 216 1HG ARG 30 1HG ARG 30 5.718 -6.541 2.989 217 2HG ARG 30 2HG ARG 30 4.449 -7.694 2.590 218 1HD ARG 30 1HD ARG 30 6.581 -9.347 2.536 219 2HD ARG 30 2HD ARG 30 7.179 -8.127 3.650 220 HE ARG 30 HE ARG 30 5.725 -8.875 5.234 221 1HH1 ARG 30 1HH1 ARG 30 4.728 -10.155 2.110 222 2HH1 ARG 30 2HH1 ARG 30 3.547 -11.197 2.791 223 1HH2 ARG 30 1HH2 ARG 30 4.142 -10.272 6.109 224 2HH2 ARG 30 2HH2 ARG 30 3.200 -11.271 5.052 225 H ASN 31 H ASN 31 6.417 -4.559 -1.173 226 HA ASN 31 HA ASN 31 7.175 -2.867 1.076 227 1HB ASN 31 1HB ASN 31 8.891 -3.493 -0.547 228 2HB ASN 31 2HB ASN 31 7.950 -2.767 -1.844 229 2HD2 ASN 31 2HD2 ASN 31 9.917 -2.147 0.973 230 1HD2 ASN 31 1HD2 ASN 31 10.162 -0.467 0.651 231 H VAL 32 H VAL 32 4.510 -3.097 -0.891 232 HA VAL 32 HA VAL 32 3.927 -0.247 -0.537 233 HB VAL 32 HB VAL 32 3.094 0.030 -2.723 234 1HG1 VAL 32 1HG1 VAL 32 5.737 -1.418 -2.841 235 2HG1 VAL 32 2HG1 VAL 32 5.074 -0.437 -4.134 236 3HG1 VAL 32 3HG1 VAL 32 5.500 0.272 -2.586 237 1HG2 VAL 32 1HG2 VAL 32 3.275 -2.943 -2.907 238 2HG2 VAL 32 2HG2 VAL 32 1.967 -1.864 -3.328 239 3HG2 VAL 32 3HG2 VAL 32 3.356 -1.983 -4.382 240 H HIS 33 H HIS 33 1.556 0.173 -1.047 241 HA HIS 33 HA HIS 33 -0.114 -2.113 -0.298 242 1HB HIS 33 1HB HIS 33 -0.717 -1.278 1.702 243 2HB HIS 33 2HB HIS 33 0.631 -0.180 1.547 244 HD1 HIS 33 HD1 HIS 33 -2.989 -0.269 1.874 245 HD2 HIS 33 HD2 HIS 33 -0.151 2.437 0.526 246 HE1 HIS 33 HE1 HIS 33 -4.131 1.965 1.877 247 HE2 HIS 33 HE2 HIS 33 -2.379 3.595 1.084 248 H ALA 34 H ALA 34 -2.092 -2.184 -1.243 249 HA ALA 34 HA ALA 34 -2.639 -0.075 -3.217 250 1HB ALA 34 1HB ALA 34 -3.622 -2.910 -3.095 251 2HB ALA 34 2HB ALA 34 -3.998 -1.747 -4.372 252 3HB ALA 34 3HB ALA 34 -2.339 -2.296 -4.132 253 H ILE 35 H ILE 35 -4.419 1.139 -3.159 254 HA ILE 35 HA ILE 35 -6.331 0.668 -0.963 255 HB ILE 35 HB ILE 35 -6.001 3.164 -2.633 256 1HG1 ILE 35 1HG1 ILE 35 -4.949 2.591 0.130 257 2HG1 ILE 35 2HG1 ILE 35 -3.945 2.634 -1.310 258 1HG2 ILE 35 1HG2 ILE 35 -8.205 2.871 -1.560 259 2HG2 ILE 35 2HG2 ILE 35 -7.408 2.690 0.001 260 3HG2 ILE 35 3HG2 ILE 35 -7.320 4.217 -0.881 261 1HD1 ILE 35 1HD1 ILE 35 -5.523 4.955 -0.217 262 2HD1 ILE 35 2HD1 ILE 35 -3.802 4.685 -0.008 263 3HD1 ILE 35 3HD1 ILE 35 -4.450 4.970 -1.610 264 H VAL 36 H VAL 36 -8.226 -0.237 -1.488 265 HA VAL 36 HA VAL 36 -9.051 -0.348 -4.272 266 HB VAL 36 HB VAL 36 -10.323 -1.547 -1.818 267 1HG1 VAL 36 1HG1 VAL 36 -10.898 -1.922 -4.753 268 2HG1 VAL 36 2HG1 VAL 36 -11.486 -3.001 -3.501 269 3HG1 VAL 36 3HG1 VAL 36 -11.995 -1.327 -3.506 270 1HG2 VAL 36 1HG2 VAL 36 -8.479 -2.746 -3.880 271 2HG2 VAL 36 2HG2 VAL 36 -8.133 -2.472 -2.181 272 3HG2 VAL 36 3HG2 VAL 36 -9.343 -3.659 -2.650 273 H LEU 37 H LEU 37 -10.207 1.198 -5.134 274 HA LEU 37 HA LEU 37 -12.433 2.382 -3.622 275 1HB LEU 37 1HB LEU 37 -11.709 4.551 -4.909 276 2HB LEU 37 2HB LEU 37 -11.102 4.166 -3.328 277 HG LEU 37 HG LEU 37 -9.222 2.980 -5.012 278 1HD1 LEU 37 1HD1 LEU 37 -10.277 4.066 -6.945 279 2HD1 LEU 37 2HD1 LEU 37 -9.959 5.635 -6.198 280 3HD1 LEU 37 3HD1 LEU 37 -8.618 4.588 -6.661 281 1HD2 LEU 37 1HD2 LEU 37 -9.316 5.008 -3.034 282 2HD2 LEU 37 2HD2 LEU 37 -7.958 4.084 -3.624 283 3HD2 LEU 37 3HD2 LEU 37 -8.389 5.618 -4.398 284 H LYS 38 H LYS 38 -14.061 3.303 -4.994 285 HA LYS 38 HA LYS 38 -14.267 1.820 -7.495 286 1HB LYS 38 1HB LYS 38 -16.613 2.584 -7.508 287 2HB LYS 38 2HB LYS 38 -16.158 1.704 -6.068 288 1HG LYS 38 1HG LYS 38 -15.667 4.428 -5.474 289 2HG LYS 38 2HG LYS 38 -16.874 3.348 -4.796 290 1HD LYS 38 1HD LYS 38 -17.338 5.643 -6.235 291 2HD LYS 38 2HD LYS 38 -17.599 4.403 -7.455 292 1HE LYS 38 1HE LYS 38 -18.895 4.467 -4.725 293 2HE LYS 38 2HE LYS 38 -19.650 5.029 -6.212 294 1HZ LYS 38 1HZ LYS 38 -19.409 2.752 -7.099 295 2HZ LYS 38 2HZ LYS 38 -18.766 2.250 -5.624 296 3HZ LYS 38 3HZ LYS 38 -20.377 2.814 -5.723 297 H GLU 39 H GLU 39 -14.793 2.731 -9.492 298 HA GLU 39 HA GLU 39 -13.310 4.856 -10.371 299 1HB GLU 39 1HB GLU 39 -14.749 3.100 -11.667 300 2HB GLU 39 2HB GLU 39 -16.000 4.336 -11.613 301 1HG GLU 39 1HG GLU 39 -14.109 5.867 -12.589 302 2HG GLU 39 2HG GLU 39 -13.365 4.328 -13.029 303 H GLY 40 H GLY 40 -13.276 6.901 -9.752 304 1HA GLY 40 1HA GLY 40 -14.417 9.033 -9.950 305 2HA GLY 40 2HA GLY 40 -15.872 8.283 -9.312 306 H SER 41 H SER 41 -13.380 6.969 -7.579 307 HA SER 41 HA SER 41 -14.026 8.498 -5.252 308 1HB SER 41 1HB SER 41 -13.472 6.095 -5.156 309 2HB SER 41 2HB SER 41 -11.834 6.461 -5.686 310 HG SER 41 HG SER 41 -12.229 6.244 -3.333 311 H ALA 42 H ALA 42 -11.560 8.719 -3.933 312 HA ALA 42 HA ALA 42 -10.510 11.114 -5.207 313 1HB ALA 42 1HB ALA 42 -9.312 11.395 -3.057 314 2HB ALA 42 2HB ALA 42 -11.060 11.257 -2.876 315 3HB ALA 42 3HB ALA 42 -10.020 9.882 -2.498 316 H MET 43 H MET 43 -9.156 10.529 -6.837 317 HA MET 43 HA MET 43 -6.903 8.774 -6.123 318 1HB MET 43 1HB MET 43 -7.037 8.701 -8.878 319 2HB MET 43 2HB MET 43 -7.544 7.445 -7.753 320 1HG MET 43 1HG MET 43 -9.823 8.527 -7.724 321 2HG MET 43 2HG MET 43 -9.255 9.544 -9.054 322 1HE MET 43 1HE MET 43 -7.695 8.118 -10.909 323 2HE MET 43 2HE MET 43 -7.331 6.604 -10.079 324 3HE MET 43 3HE MET 43 -8.263 6.585 -11.576 325 H THR 44 H THR 44 -5.445 10.277 -5.559 326 HA THR 44 HA THR 44 -5.006 12.676 -7.002 327 HB THR 44 HB THR 44 -2.676 12.352 -5.641 328 HG1 THR 44 HG1 THR 44 -4.461 10.982 -3.942 329 1HG2 THR 44 1HG2 THR 44 -5.311 13.111 -4.409 330 2HG2 THR 44 2HG2 THR 44 -3.726 13.405 -3.697 331 3HG2 THR 44 3HG2 THR 44 -4.161 14.184 -5.214 332 H LYS 45 H LYS 45 -3.100 13.245 -8.201 333 HA LYS 45 HA LYS 45 -2.306 11.101 -10.009 334 1HB LYS 45 1HB LYS 45 -2.191 14.082 -10.020 335 2HB LYS 45 2HB LYS 45 -1.029 13.217 -11.015 336 1HG LYS 45 1HG LYS 45 -2.775 12.129 -12.229 337 2HG LYS 45 2HG LYS 45 -4.011 12.825 -11.174 338 1HD LYS 45 1HD LYS 45 -3.719 14.965 -12.025 339 2HD LYS 45 2HD LYS 45 -2.116 14.619 -12.670 340 1HE LYS 45 1HE LYS 45 -4.351 13.011 -13.794 341 2HE LYS 45 2HE LYS 45 -4.364 14.733 -14.154 342 1HZ LYS 45 1HZ LYS 45 -2.033 14.489 -14.936 343 2HZ LYS 45 2HZ LYS 45 -2.174 12.822 -14.739 344 3HZ LYS 45 3HZ LYS 45 -3.167 13.618 -15.853 345 H ASP 46 H ASP 46 -0.985 12.920 -7.378 346 HA ASP 46 HA ASP 46 1.701 12.899 -7.785 347 1HB ASP 46 1HB ASP 46 0.134 13.400 -5.623 348 2HB ASP 46 2HB ASP 46 0.882 11.907 -5.086 349 H PHE 47 H PHE 47 3.393 11.478 -7.650 350 HA PHE 47 HA PHE 47 2.700 8.663 -7.993 351 1HB PHE 47 1HB PHE 47 4.210 9.457 -9.601 352 2HB PHE 47 2HB PHE 47 5.198 10.284 -8.410 353 HD1 PHE 47 HD1 PHE 47 4.140 6.888 -9.531 354 HD2 PHE 47 HD2 PHE 47 7.092 9.230 -7.537 355 HE1 PHE 47 HE1 PHE 47 5.644 4.952 -9.454 356 HE2 PHE 47 HE2 PHE 47 8.575 7.275 -7.435 357 HZ PHE 47 HZ PHE 47 7.846 5.132 -8.413 358 H ARG 48 H ARG 48 2.852 7.181 -6.456 359 HA ARG 48 HA ARG 48 4.796 7.461 -4.280 360 1HB ARG 48 1HB ARG 48 3.208 7.122 -2.548 361 2HB ARG 48 2HB ARG 48 1.896 6.869 -3.685 362 1HG ARG 48 1HG ARG 48 3.219 9.487 -3.881 363 2HG ARG 48 2HG ARG 48 1.521 9.052 -3.980 364 1HD ARG 48 1HD ARG 48 3.220 9.293 -1.500 365 2HD ARG 48 2HD ARG 48 1.972 10.414 -2.046 366 HE ARG 48 HE ARG 48 0.965 7.752 -1.674 367 1HH1 ARG 48 1HH1 ARG 48 1.780 10.729 0.006 368 2HH1 ARG 48 2HH1 ARG 48 0.697 10.411 1.304 369 1HH2 ARG 48 1HH2 ARG 48 -0.447 7.356 0.058 370 2HH2 ARG 48 2HH2 ARG 48 -0.561 8.505 1.349 371 H CYS 49 H CYS 49 5.921 5.638 -4.477 372 HA CYS 49 HA CYS 49 5.043 3.303 -5.713 373 1HB CYS 49 1HB CYS 49 7.260 3.647 -3.725 374 2HB CYS 49 2HB CYS 49 7.027 2.228 -4.725 375 H ASP 50 H ASP 50 4.861 4.297 -2.365 376 HA ASP 50 HA ASP 50 4.118 1.678 -1.429 377 1HB ASP 50 1HB ASP 50 5.284 3.240 0.038 378 2HB ASP 50 2HB ASP 50 3.720 2.802 0.714 379 H ARG 51 H ARG 51 2.439 3.962 -3.210 380 HA ARG 51 HA ARG 51 -0.128 3.042 -2.110 381 1HB ARG 51 1HB ARG 51 0.352 5.473 -1.785 382 2HB ARG 51 2HB ARG 51 0.420 5.657 -3.527 383 1HG ARG 51 1HG ARG 51 -1.933 4.825 -3.647 384 2HG ARG 51 2HG ARG 51 -1.957 4.829 -1.880 385 1HD ARG 51 1HD ARG 51 -1.290 7.263 -2.019 386 2HD ARG 51 2HD ARG 51 -2.937 6.854 -2.513 387 HE ARG 51 HE ARG 51 -1.651 6.778 -4.856 388 1HH1 ARG 51 1HH1 ARG 51 -1.674 9.195 -2.301 389 2HH1 ARG 51 2HH1 ARG 51 -1.419 10.500 -3.394 390 1HH2 ARG 51 1HH2 ARG 51 -1.326 8.544 -6.271 391 2HH2 ARG 51 2HH2 ARG 51 -1.208 10.141 -5.629 392 H VAL 52 H VAL 52 -1.287 1.851 -3.412 393 HA VAL 52 HA VAL 52 -0.907 2.118 -6.352 394 HB VAL 52 HB VAL 52 -1.470 -0.433 -4.832 395 1HG1 VAL 52 1HG1 VAL 52 -1.209 0.123 -7.772 396 2HG1 VAL 52 2HG1 VAL 52 -1.147 -1.492 -7.076 397 3HG1 VAL 52 3HG1 VAL 52 -2.607 -0.528 -6.925 398 1HG2 VAL 52 1HG2 VAL 52 1.016 0.750 -5.927 399 2HG2 VAL 52 2HG2 VAL 52 0.753 -0.209 -4.479 400 3HG2 VAL 52 3HG2 VAL 52 0.805 -0.987 -6.051 401 H TRP 53 H TRP 53 -2.703 2.862 -7.285 402 HA TRP 53 HA TRP 53 -5.186 2.935 -5.847 403 1HB TRP 53 1HB TRP 53 -4.318 3.866 -8.567 404 2HB TRP 53 2HB TRP 53 -6.016 3.893 -8.128 405 HD1 TRP 53 HD1 TRP 53 -3.945 6.421 -8.756 406 HE1 TRP 53 HE1 TRP 53 -4.024 8.394 -7.102 407 HE3 TRP 53 HE3 TRP 53 -6.052 4.046 -4.761 408 HZ2 TRP 53 HZ2 TRP 53 -4.860 8.854 -4.437 409 HZ3 TRP 53 HZ3 TRP 53 -6.444 5.313 -2.702 410 HH2 TRP 53 HH2 TRP 53 -5.878 7.675 -2.549 411 H VAL 54 H VAL 54 -6.910 1.623 -5.988 412 HA VAL 54 HA VAL 54 -6.943 -0.370 -8.184 413 HB VAL 54 HB VAL 54 -7.438 -0.733 -5.240 414 1HG1 VAL 54 1HG1 VAL 54 -8.720 -2.254 -7.486 415 2HG1 VAL 54 2HG1 VAL 54 -8.336 -3.050 -5.966 416 3HG1 VAL 54 3HG1 VAL 54 -9.422 -1.684 -5.979 417 1HG2 VAL 54 1HG2 VAL 54 -5.227 -1.239 -6.136 418 2HG2 VAL 54 2HG2 VAL 54 -6.040 -2.687 -5.545 419 3HG2 VAL 54 3HG2 VAL 54 -5.948 -2.366 -7.284 420 H ILE 55 H ILE 55 -8.342 0.810 -9.460 421 HA ILE 55 HA ILE 55 -10.826 1.806 -8.372 422 HB ILE 55 HB ILE 55 -9.985 1.735 -11.252 423 1HG1 ILE 55 1HG1 ILE 55 -9.058 3.394 -8.997 424 2HG1 ILE 55 2HG1 ILE 55 -9.682 4.345 -10.338 425 1HG2 ILE 55 1HG2 ILE 55 -12.047 3.323 -9.763 426 2HG2 ILE 55 2HG2 ILE 55 -11.573 3.644 -11.431 427 3HG2 ILE 55 3HG2 ILE 55 -12.338 2.114 -11.017 428 1HD1 ILE 55 1HD1 ILE 55 -7.662 2.190 -10.798 429 2HD1 ILE 55 2HD1 ILE 55 -8.083 3.578 -11.802 430 3HD1 ILE 55 3HD1 ILE 55 -7.212 3.805 -10.290 431 H VAL 56 H VAL 56 -12.680 0.719 -8.295 432 HA VAL 56 HA VAL 56 -13.041 -1.578 -10.085 433 HB VAL 56 HB VAL 56 -14.247 -2.747 -8.323 434 1HG1 VAL 56 1HG1 VAL 56 -11.513 -1.828 -7.439 435 2HG1 VAL 56 2HG1 VAL 56 -12.364 -3.233 -6.832 436 3HG1 VAL 56 3HG1 VAL 56 -11.873 -3.173 -8.521 437 1HG2 VAL 56 1HG2 VAL 56 -13.542 -0.360 -6.621 438 2HG2 VAL 56 2HG2 VAL 56 -15.160 -0.904 -7.073 439 3HG2 VAL 56 3HG2 VAL 56 -14.180 -1.877 -5.994 440 H ASN 57 H ASN 57 -15.326 -2.229 -10.347 441 HA ASN 57 HA ASN 57 -16.939 0.160 -10.863 442 1HB ASN 57 1HB ASN 57 -18.376 -1.366 -12.155 443 2HB ASN 57 2HB ASN 57 -16.697 -1.472 -12.652 444 2HD2 ASN 57 2HD2 ASN 57 -17.168 -3.523 -13.569 445 1HD2 ASN 57 1HD2 ASN 57 -17.327 -4.917 -12.564 446 H ASP 58 H ASP 58 -19.448 -0.502 -10.667 447 HA ASP 58 HA ASP 58 -20.068 -0.316 -7.955 448 1HB ASP 58 1HB ASP 58 -22.349 -0.454 -8.595 449 2HB ASP 58 2HB ASP 58 -21.971 -1.373 -10.060 450 H HIS 59 H HIS 59 -19.396 -3.120 -9.868 451 HA HIS 59 HA HIS 59 -20.710 -4.949 -8.035 452 1HB HIS 59 1HB HIS 59 -18.986 -5.447 -10.479 453 2HB HIS 59 2HB HIS 59 -19.811 -6.689 -9.551 454 HD1 HIS 59 HD1 HIS 59 -20.460 -3.884 -11.950 455 HD2 HIS 59 HD2 HIS 59 -22.541 -6.922 -10.026 456 HE1 HIS 59 HE1 HIS 59 -22.712 -3.964 -13.065 457 HE2 HIS 59 HE2 HIS 59 -23.910 -5.889 -11.961 458 H GLY 60 H GLY 60 -17.561 -3.534 -8.490 459 1HA GLY 60 1HA GLY 60 -15.981 -3.586 -6.736 460 2HA GLY 60 2HA GLY 60 -16.543 -5.181 -6.275 461 H VAL 61 H VAL 61 -16.064 -4.460 -9.646 462 HA VAL 61 HA VAL 61 -13.812 -6.338 -9.705 463 HB VAL 61 HB VAL 61 -15.394 -5.235 -12.024 464 1HG1 VAL 61 1HG1 VAL 61 -13.454 -7.515 -11.807 465 2HG1 VAL 61 2HG1 VAL 61 -14.451 -7.182 -13.218 466 3HG1 VAL 61 3HG1 VAL 61 -13.238 -6.016 -12.708 467 1HG2 VAL 61 1HG2 VAL 61 -15.749 -7.831 -10.539 468 2HG2 VAL 61 2HG2 VAL 61 -16.892 -6.486 -10.584 469 3HG2 VAL 61 3HG2 VAL 61 -16.558 -7.409 -12.048 470 H VAL 62 H VAL 62 -11.830 -5.777 -10.639 471 HA VAL 62 HA VAL 62 -11.161 -2.989 -10.488 472 HB VAL 62 HB VAL 62 -9.457 -5.273 -11.504 473 1HG1 VAL 62 1HG1 VAL 62 -8.665 -3.046 -12.188 474 2HG1 VAL 62 2HG1 VAL 62 -8.668 -2.527 -10.508 475 3HG1 VAL 62 3HG1 VAL 62 -7.589 -3.817 -11.046 476 1HG2 VAL 62 1HG2 VAL 62 -10.428 -4.812 -8.897 477 2HG2 VAL 62 2HG2 VAL 62 -9.191 -5.941 -9.418 478 3HG2 VAL 62 3HG2 VAL 62 -8.744 -4.325 -8.886 479 H THR 63 H THR 63 -11.730 -1.615 -12.054 480 HA THR 63 HA THR 63 -11.954 -2.546 -14.824 481 HB THR 63 HB THR 63 -13.017 -0.427 -15.263 482 HG1 THR 63 HG1 THR 63 -12.046 1.080 -14.067 483 1HG2 THR 63 1HG2 THR 63 -14.346 -2.224 -14.071 484 2HG2 THR 63 2HG2 THR 63 -14.105 -1.275 -12.604 485 3HG2 THR 63 3HG2 THR 63 -14.961 -0.574 -13.974 486 H SER 64 H SER 64 -9.979 -0.419 -12.819 487 HA SER 64 HA SER 64 -8.413 0.358 -15.190 488 1HB SER 64 1HB SER 64 -9.327 1.904 -13.135 489 2HB SER 64 2HB SER 64 -7.701 1.513 -12.591 490 HG SER 64 HG SER 64 -6.862 2.475 -14.364 491 H VAL 65 H VAL 65 -6.200 0.086 -15.265 492 HA VAL 65 HA VAL 65 -5.193 -2.318 -14.159 493 HB VAL 65 HB VAL 65 -3.648 -0.098 -15.468 494 1HG1 VAL 65 1HG1 VAL 65 -2.921 -2.782 -14.490 495 2HG1 VAL 65 2HG1 VAL 65 -2.333 -2.375 -16.110 496 3HG1 VAL 65 3HG1 VAL 65 -1.944 -1.350 -14.735 497 1HG2 VAL 65 1HG2 VAL 65 -5.692 -1.519 -16.638 498 2HG2 VAL 65 2HG2 VAL 65 -4.343 -0.766 -17.466 499 3HG2 VAL 65 3HG2 VAL 65 -4.280 -2.471 -17.064 500 1HB PRO 66 1HB PRO 66 -4.309 -2.070 -8.729 501 2HB PRO 66 2HB PRO 66 -3.110 -3.074 -9.541 502 1HG PRO 66 1HG PRO 66 -4.968 -4.240 -10.146 503 2HG PRO 66 2HG PRO 66 -6.028 -2.859 -10.011 504 1HD PRO 66 1HD PRO 66 -5.892 -2.954 -12.300 505 2HD PRO 66 2HD PRO 66 -4.296 -3.692 -12.282 506 H HIS 67 H HIS 67 -2.260 0.802 -10.245 507 HA HIS 67 HA HIS 67 0.310 -0.538 -10.359 508 1HB HIS 67 1HB HIS 67 1.192 0.836 -12.170 509 2HB HIS 67 2HB HIS 67 -0.203 -0.064 -12.733 510 HD1 HIS 67 HD1 HIS 67 0.632 2.401 -14.273 511 HD2 HIS 67 HD2 HIS 67 -2.113 2.500 -11.160 512 HE1 HIS 67 HE1 HIS 67 -0.730 4.487 -14.627 513 HE2 HIS 67 HE2 HIS 67 -2.308 4.571 -12.667 514 H ILE 68 H ILE 68 1.922 0.556 -9.364 515 HA ILE 68 HA ILE 68 1.481 2.182 -7.266 516 HB ILE 68 HB ILE 68 3.819 1.621 -8.988 517 1HG1 ILE 68 1HG1 ILE 68 3.510 1.809 -5.989 518 2HG1 ILE 68 2HG1 ILE 68 3.185 0.370 -6.927 519 1HG2 ILE 68 1HG2 ILE 68 3.829 4.056 -7.204 520 2HG2 ILE 68 2HG2 ILE 68 5.269 3.299 -7.883 521 3HG2 ILE 68 3HG2 ILE 68 4.078 3.993 -8.943 522 1HD1 ILE 68 1HD1 ILE 68 5.881 1.709 -6.829 523 2HD1 ILE 68 2HD1 ILE 68 5.391 0.342 -5.856 524 3HD1 ILE 68 3HD1 ILE 68 5.459 0.186 -7.590 525 H THR 69 H THR 69 0.717 4.153 -6.959 526 HA THR 69 HA THR 69 1.479 6.419 -8.494 527 HB THR 69 HB THR 69 -1.127 5.080 -9.159 528 HG1 THR 69 HG1 THR 69 0.872 6.420 -10.695 529 1HG2 THR 69 1HG2 THR 69 -0.619 8.035 -9.260 530 2HG2 THR 69 2HG2 THR 69 -1.744 7.233 -10.341 531 3HG2 THR 69 3HG2 THR 69 -2.009 7.180 -8.616 No H/Q in entry = 531 Start of MODEL 10 1 H SER 1 H SER 1 7.733 7.067 -10.023 2 HA SER 1 HA SER 1 9.112 5.186 -10.301 3 1HB SER 1 1HB SER 1 8.518 5.427 -12.712 4 2HB SER 1 2HB SER 1 10.023 6.309 -12.984 5 HG SER 1 HG SER 1 10.292 4.092 -13.386 6 H ARG 2 H ARG 2 10.752 4.911 -8.867 7 HA ARG 2 HA ARG 2 13.410 5.920 -9.340 8 1HB ARG 2 1HB ARG 2 12.272 7.856 -8.239 9 2HB ARG 2 2HB ARG 2 11.950 6.836 -6.845 10 1HG ARG 2 1HG ARG 2 14.400 6.515 -6.578 11 2HG ARG 2 2HG ARG 2 13.851 8.169 -6.367 12 1HD ARG 2 1HD ARG 2 15.665 7.026 -8.343 13 2HD ARG 2 2HD ARG 2 14.422 8.037 -9.079 14 HE ARG 2 HE ARG 2 15.482 9.435 -6.901 15 1HH1 ARG 2 1HH1 ARG 2 16.522 8.244 -10.038 16 2HH1 ARG 2 2HH1 ARG 2 17.690 9.497 -10.242 17 1HH2 ARG 2 1HH2 ARG 2 17.028 11.072 -7.194 18 2HH2 ARG 2 2HH2 ARG 2 17.985 11.100 -8.638 19 H ARG 3 H ARG 3 13.574 3.554 -9.417 20 HA ARG 3 HA ARG 3 13.971 1.494 -8.534 21 1HB ARG 3 1HB ARG 3 15.561 1.455 -6.740 22 2HB ARG 3 2HB ARG 3 15.089 3.061 -6.201 23 1HG ARG 3 1HG ARG 3 17.070 2.282 -8.113 24 2HG ARG 3 2HG ARG 3 15.896 3.313 -8.919 25 1HD ARG 3 1HD ARG 3 16.173 4.976 -7.149 26 2HD ARG 3 2HD ARG 3 17.669 4.649 -8.011 27 HE ARG 3 HE ARG 3 18.262 3.155 -6.095 28 1HH1 ARG 3 1HH1 ARG 3 16.113 5.907 -5.623 29 2HH1 ARG 3 2HH1 ARG 3 16.498 6.057 -3.962 30 1HH2 ARG 3 1HH2 ARG 3 18.753 3.396 -3.885 31 2HH2 ARG 3 2HH2 ARG 3 17.991 4.653 -2.967 32 H CYS 4 H CYS 4 11.736 0.959 -8.226 33 HA CYS 4 HA CYS 4 10.848 1.138 -5.436 34 1HB CYS 4 1HB CYS 4 9.504 2.203 -7.378 35 2HB CYS 4 2HB CYS 4 8.985 0.557 -7.691 36 1HB PRO 5 1HB PRO 5 11.342 -3.703 -3.065 37 2HB PRO 5 2HB PRO 5 9.663 -3.174 -2.919 38 1HG PRO 5 1HG PRO 5 10.690 -1.410 -1.842 39 2HG PRO 5 2HG PRO 5 12.178 -1.587 -2.764 40 1HD PRO 5 1HD PRO 5 11.304 0.243 -3.825 41 2HD PRO 5 2HD PRO 5 9.619 -0.248 -3.544 42 H GLY 6 H GLY 6 10.132 -5.224 -5.415 43 1HA GLY 6 1HA GLY 6 8.398 -6.419 -6.306 44 2HA GLY 6 2HA GLY 6 7.361 -5.346 -5.393 45 H LYS 7 H LYS 7 6.278 -6.230 -7.599 46 HA LYS 7 HA LYS 7 6.858 -4.917 -10.004 47 1HB LYS 7 1HB LYS 7 5.431 -6.894 -9.781 48 2HB LYS 7 2HB LYS 7 4.200 -5.928 -9.028 49 1HG LYS 7 1HG LYS 7 3.782 -4.711 -10.983 50 2HG LYS 7 2HG LYS 7 5.236 -5.320 -11.775 51 1HD LYS 7 1HD LYS 7 3.013 -7.165 -10.883 52 2HD LYS 7 2HD LYS 7 2.950 -6.326 -12.425 53 1HE LYS 7 1HE LYS 7 5.073 -7.317 -13.086 54 2HE LYS 7 2HE LYS 7 5.163 -8.157 -11.538 55 1HZ LYS 7 1HZ LYS 7 3.058 -8.549 -13.599 56 2HZ LYS 7 2HZ LYS 7 4.342 -9.601 -13.279 57 3HZ LYS 7 3HZ LYS 7 3.142 -9.356 -12.112 58 H ASN 8 H ASN 8 5.765 -3.158 -11.069 59 HA ASN 8 HA ASN 8 4.928 -1.073 -9.185 60 1HB ASN 8 1HB ASN 8 6.825 -1.102 -11.281 61 2HB ASN 8 2HB ASN 8 5.542 -0.007 -11.763 62 2HD2 ASN 8 2HD2 ASN 8 8.450 0.064 -10.514 63 1HD2 ASN 8 1HD2 ASN 8 8.290 1.407 -9.445 64 H ALA 9 H ALA 9 3.798 -2.931 -11.847 65 HA ALA 9 HA ALA 9 1.254 -1.577 -11.712 66 1HB ALA 9 1HB ALA 9 2.775 -1.913 -14.275 67 2HB ALA 9 2HB ALA 9 1.097 -1.381 -14.170 68 3HB ALA 9 3HB ALA 9 2.387 -0.383 -13.498 69 H TRP 10 H TRP 10 -0.377 -3.008 -11.648 70 HA TRP 10 HA TRP 10 0.271 -5.764 -12.522 71 1HB TRP 10 1HB TRP 10 -1.648 -4.734 -10.453 72 2HB TRP 10 2HB TRP 10 -1.595 -6.400 -11.006 73 HD1 TRP 10 HD1 TRP 10 0.198 -7.966 -9.958 74 HE1 TRP 10 HE1 TRP 10 2.053 -7.643 -8.208 75 HE3 TRP 10 HE3 TRP 10 0.090 -2.886 -9.555 76 HZ2 TRP 10 HZ2 TRP 10 3.298 -5.517 -6.835 77 HZ3 TRP 10 HZ3 TRP 10 1.624 -1.773 -8.006 78 HH2 TRP 10 HH2 TRP 10 3.197 -3.067 -6.663 79 1HB PRO 11 1HB PRO 11 -1.783 -5.679 -17.654 80 2HB PRO 11 2HB PRO 11 -1.367 -4.000 -17.310 81 1HG PRO 11 1HG PRO 11 0.731 -4.946 -17.113 82 2HG PRO 11 2HG PRO 11 0.082 -6.496 -16.548 83 1HD PRO 11 1HD PRO 11 0.784 -5.653 -14.537 84 2HD PRO 11 2HD PRO 11 0.541 -3.963 -15.033 85 H GLU 12 H GLU 12 -1.516 -7.377 -15.017 86 HA GLU 12 HA GLU 12 -3.654 -8.856 -16.099 87 1HB GLU 12 1HB GLU 12 -1.462 -9.819 -15.640 88 2HB GLU 12 2HB GLU 12 -2.749 -10.743 -14.880 89 1HG GLU 12 1HG GLU 12 -2.041 -8.987 -12.875 90 2HG GLU 12 2HG GLU 12 -1.528 -10.660 -13.044 91 H LEU 13 H LEU 13 -3.648 -6.874 -13.337 92 HA LEU 13 HA LEU 13 -5.512 -8.455 -11.822 93 1HB LEU 13 1HB LEU 13 -4.334 -5.716 -11.531 94 2HB LEU 13 2HB LEU 13 -5.728 -6.163 -10.574 95 HG LEU 13 HG LEU 13 -2.990 -7.415 -10.500 96 1HD1 LEU 13 1HD1 LEU 13 -4.608 -5.779 -8.594 97 2HD1 LEU 13 2HD1 LEU 13 -3.271 -6.757 -8.058 98 3HD1 LEU 13 3HD1 LEU 13 -3.028 -5.465 -9.193 99 1HD2 LEU 13 1HD2 LEU 13 -5.613 -8.435 -9.528 100 2HD2 LEU 13 2HD2 LEU 13 -4.241 -9.296 -10.220 101 3HD2 LEU 13 3HD2 LEU 13 -4.176 -8.724 -8.579 102 H VAL 14 H VAL 14 -5.649 -6.092 -14.326 103 HA VAL 14 HA VAL 14 -8.153 -4.964 -13.911 104 HB VAL 14 HB VAL 14 -6.968 -5.710 -16.595 105 1HG1 VAL 14 1HG1 VAL 14 -9.002 -3.629 -15.788 106 2HG1 VAL 14 2HG1 VAL 14 -8.256 -3.741 -17.382 107 3HG1 VAL 14 3HG1 VAL 14 -9.279 -5.048 -16.797 108 1HG2 VAL 14 1HG2 VAL 14 -5.804 -4.066 -14.657 109 2HG2 VAL 14 2HG2 VAL 14 -5.442 -4.118 -16.373 110 3HG2 VAL 14 3HG2 VAL 14 -6.602 -2.954 -15.757 111 H GLY 15 H GLY 15 -10.019 -6.025 -13.547 112 1HA GLY 15 1HA GLY 15 -11.824 -7.231 -14.627 113 2HA GLY 15 2HA GLY 15 -10.654 -8.379 -15.249 114 H LYS 16 H LYS 16 -9.527 -7.785 -12.247 115 HA LYS 16 HA LYS 16 -11.020 -10.069 -11.126 116 1HB LYS 16 1HB LYS 16 -8.222 -9.162 -11.007 117 2HB LYS 16 2HB LYS 16 -8.868 -9.633 -9.448 118 1HG LYS 16 1HG LYS 16 -9.126 -11.390 -11.877 119 2HG LYS 16 2HG LYS 16 -7.689 -11.396 -10.853 120 1HD LYS 16 1HD LYS 16 -8.873 -12.161 -8.982 121 2HD LYS 16 2HD LYS 16 -10.439 -11.774 -9.687 122 1HE LYS 16 1HE LYS 16 -10.105 -14.153 -9.744 123 2HE LYS 16 2HE LYS 16 -10.069 -13.523 -11.390 124 1HZ LYS 16 1HZ LYS 16 -7.659 -14.159 -9.761 125 2HZ LYS 16 2HZ LYS 16 -8.319 -15.161 -10.951 126 3HZ LYS 16 3HZ LYS 16 -7.674 -13.659 -11.378 127 H SER 17 H SER 17 -11.477 -10.029 -8.808 128 HA SER 17 HA SER 17 -12.981 -7.796 -8.079 129 1HB SER 17 1HB SER 17 -13.403 -8.879 -6.054 130 2HB SER 17 2HB SER 17 -13.009 -10.221 -7.128 131 HG SER 17 HG SER 17 -11.884 -10.395 -5.163 132 H GLY 18 H GLY 18 -12.574 -5.938 -6.958 133 1HA GLY 18 1HA GLY 18 -10.109 -4.747 -6.861 134 2HA GLY 18 2HA GLY 18 -11.415 -4.348 -5.774 135 H ASN 19 H ASN 19 -11.451 -7.020 -4.559 136 HA ASN 19 HA ASN 19 -9.506 -6.544 -2.532 137 1HB ASN 19 1HB ASN 19 -11.881 -8.023 -2.740 138 2HB ASN 19 2HB ASN 19 -10.642 -9.249 -2.518 139 2HD2 ASN 19 2HD2 ASN 19 -11.546 -6.047 -1.234 140 1HD2 ASN 19 1HD2 ASN 19 -11.252 -6.465 0.416 141 H MET 20 H MET 20 -9.842 -8.944 -5.126 142 HA MET 20 HA MET 20 -7.501 -10.401 -4.466 143 1HB MET 20 1HB MET 20 -9.560 -10.660 -6.335 144 2HB MET 20 2HB MET 20 -8.165 -10.354 -7.332 145 1HG MET 20 1HG MET 20 -7.875 -12.551 -7.217 146 2HG MET 20 2HG MET 20 -7.132 -12.214 -5.663 147 1HE MET 20 1HE MET 20 -8.638 -12.022 -3.448 148 2HE MET 20 2HE MET 20 -10.088 -11.322 -4.168 149 3HE MET 20 3HE MET 20 -10.196 -12.823 -3.249 150 H ALA 21 H ALA 21 -8.106 -7.508 -6.347 151 HA ALA 21 HA ALA 21 -5.598 -7.380 -7.613 152 1HB ALA 21 1HB ALA 21 -7.840 -5.492 -7.172 153 2HB ALA 21 2HB ALA 21 -7.092 -6.031 -8.673 154 3HB ALA 21 3HB ALA 21 -6.290 -4.822 -7.678 155 H ALA 22 H ALA 22 -6.875 -5.493 -4.881 156 HA ALA 22 HA ALA 22 -4.501 -4.255 -4.155 157 1HB ALA 22 1HB ALA 22 -5.645 -4.359 -1.759 158 2HB ALA 22 2HB ALA 22 -6.264 -3.354 -3.061 159 3HB ALA 22 3HB ALA 22 -7.022 -4.908 -2.720 160 H ALA 23 H ALA 23 -5.767 -7.423 -3.245 161 HA ALA 23 HA ALA 23 -3.808 -8.054 -1.311 162 1HB ALA 23 1HB ALA 23 -5.399 -9.920 -3.073 163 2HB ALA 23 2HB ALA 23 -4.539 -10.362 -1.595 164 3HB ALA 23 3HB ALA 23 -5.920 -9.268 -1.519 165 H THR 24 H THR 24 -4.003 -8.695 -4.807 166 HA THR 24 HA THR 24 -1.655 -10.210 -5.034 167 HB THR 24 HB THR 24 -2.889 -8.345 -7.052 168 HG1 THR 24 HG1 THR 24 -3.307 -11.119 -6.573 169 1HG2 THR 24 1HG2 THR 24 -0.934 -10.595 -7.404 170 2HG2 THR 24 2HG2 THR 24 -1.899 -9.918 -8.715 171 3HG2 THR 24 3HG2 THR 24 -0.735 -8.903 -7.868 172 H VAL 25 H VAL 25 -2.182 -6.706 -5.132 173 HA VAL 25 HA VAL 25 0.473 -6.011 -5.839 174 HB VAL 25 HB VAL 25 -1.547 -4.373 -4.291 175 1HG1 VAL 25 1HG1 VAL 25 1.191 -3.826 -5.028 176 2HG1 VAL 25 2HG1 VAL 25 0.106 -2.729 -5.858 177 3HG1 VAL 25 3HG1 VAL 25 0.053 -2.854 -4.109 178 1HG2 VAL 25 1HG2 VAL 25 -1.019 -4.570 -7.245 179 2HG2 VAL 25 2HG2 VAL 25 -2.469 -5.053 -6.408 180 3HG2 VAL 25 3HG2 VAL 25 -2.045 -3.360 -6.499 181 H GLU 26 H GLU 26 -1.149 -5.885 -2.642 182 HA GLU 26 HA GLU 26 1.218 -5.300 -1.215 183 1HB GLU 26 1HB GLU 26 -1.396 -6.535 -0.354 184 2HB GLU 26 2HB GLU 26 -0.119 -6.110 0.780 185 1HG GLU 26 1HG GLU 26 -0.491 -3.908 0.633 186 2HG GLU 26 2HG GLU 26 -0.952 -3.959 -1.068 187 H ARG 27 H ARG 27 -0.036 -8.302 -2.461 188 HA ARG 27 HA ARG 27 1.565 -9.957 -0.716 189 1HB ARG 27 1HB ARG 27 -0.646 -10.590 -1.809 190 2HB ARG 27 2HB ARG 27 0.249 -10.829 -3.302 191 1HG ARG 27 1HG ARG 27 1.550 -12.569 -2.285 192 2HG ARG 27 2HG ARG 27 0.859 -12.226 -0.696 193 1HD ARG 27 1HD ARG 27 -0.741 -13.125 -3.089 194 2HD ARG 27 2HD ARG 27 -0.106 -14.207 -1.868 195 HE ARG 27 HE ARG 27 -2.125 -12.090 -1.412 196 1HH1 ARG 27 1HH1 ARG 27 -0.688 -15.172 -0.481 197 2HH1 ARG 27 2HH1 ARG 27 -1.873 -15.472 0.724 198 1HH2 ARG 27 1HH2 ARG 27 -3.667 -12.527 0.205 199 2HH2 ARG 27 2HH2 ARG 27 -3.555 -13.992 1.123 200 H GLU 28 H GLU 28 1.583 -9.331 -4.244 201 HA GLU 28 HA GLU 28 4.093 -10.568 -4.691 202 1HB GLU 28 1HB GLU 28 2.598 -8.480 -6.286 203 2HB GLU 28 2HB GLU 28 4.058 -9.285 -6.855 204 1HG GLU 28 1HG GLU 28 2.838 -11.464 -6.588 205 2HG GLU 28 2HG GLU 28 1.377 -10.529 -6.279 206 H ASN 29 H ASN 29 3.135 -7.266 -3.914 207 HA ASN 29 HA ASN 29 5.989 -6.551 -3.601 208 1HB ASN 29 1HB ASN 29 4.954 -5.356 -5.468 209 2HB ASN 29 2HB ASN 29 3.675 -4.771 -4.409 210 2HD2 ASN 29 2HD2 ASN 29 5.459 -3.172 -5.956 211 1HD2 ASN 29 1HD2 ASN 29 6.403 -2.242 -4.850 212 H ARG 30 H ARG 30 5.734 -7.443 -1.451 213 HA ARG 30 HA ARG 30 3.919 -6.418 0.449 214 1HB ARG 30 1HB ARG 30 5.326 -8.530 0.571 215 2HB ARG 30 2HB ARG 30 6.663 -7.503 1.068 216 1HG ARG 30 1HG ARG 30 5.694 -6.985 3.098 217 2HG ARG 30 2HG ARG 30 4.064 -7.360 2.547 218 1HD ARG 30 1HD ARG 30 4.225 -9.507 3.098 219 2HD ARG 30 2HD ARG 30 5.848 -9.680 2.431 220 HE ARG 30 HE ARG 30 5.173 -9.381 5.145 221 1HH1 ARG 30 1HH1 ARG 30 7.558 -8.269 2.811 222 2HH1 ARG 30 2HH1 ARG 30 8.759 -8.004 4.002 223 1HH2 ARG 30 1HH2 ARG 30 6.814 -9.052 6.702 224 2HH2 ARG 30 2HH2 ARG 30 8.364 -8.463 6.201 225 H ASN 31 H ASN 31 6.283 -4.670 -1.106 226 HA ASN 31 HA ASN 31 7.058 -3.113 1.227 227 1HB ASN 31 1HB ASN 31 8.753 -3.708 -0.451 228 2HB ASN 31 2HB ASN 31 7.855 -2.822 -1.676 229 2HD2 ASN 31 2HD2 ASN 31 7.624 -0.508 -1.411 230 1HD2 ASN 31 1HD2 ASN 31 8.820 0.356 -0.519 231 H VAL 32 H VAL 32 4.573 -3.126 -1.097 232 HA VAL 32 HA VAL 32 4.037 -0.271 -0.579 233 HB VAL 32 HB VAL 32 3.020 -0.076 -2.733 234 1HG1 VAL 32 1HG1 VAL 32 5.706 -1.433 -2.961 235 2HG1 VAL 32 2HG1 VAL 32 4.971 -0.427 -4.190 236 3HG1 VAL 32 3HG1 VAL 32 5.434 0.262 -2.644 237 1HG2 VAL 32 1HG2 VAL 32 3.374 -3.037 -2.858 238 2HG2 VAL 32 2HG2 VAL 32 1.968 -2.062 -3.219 239 3HG2 VAL 32 3HG2 VAL 32 3.317 -2.109 -4.346 240 H HIS 33 H HIS 33 1.675 0.249 -0.955 241 HA HIS 33 HA HIS 33 -0.070 -1.906 0.022 242 1HB HIS 33 1HB HIS 33 -0.304 -0.872 1.979 243 2HB HIS 33 2HB HIS 33 0.725 0.455 1.463 244 HD1 HIS 33 HD1 HIS 33 -2.847 -0.518 1.904 245 HD2 HIS 33 HD2 HIS 33 -0.643 2.768 0.646 246 HE1 HIS 33 HE1 HIS 33 -4.475 1.397 1.816 247 HE2 HIS 33 HE2 HIS 33 -3.061 3.396 1.246 248 H ALA 34 H ALA 34 -1.988 -2.065 -1.018 249 HA ALA 34 HA ALA 34 -2.553 -0.045 -3.075 250 1HB ALA 34 1HB ALA 34 -3.491 -2.892 -2.908 251 2HB ALA 34 2HB ALA 34 -3.799 -1.764 -4.231 252 3HB ALA 34 3HB ALA 34 -2.154 -2.304 -3.890 253 H ILE 35 H ILE 35 -4.403 1.077 -3.103 254 HA ILE 35 HA ILE 35 -6.307 0.607 -0.898 255 HB ILE 35 HB ILE 35 -6.062 3.075 -2.624 256 1HG1 ILE 35 1HG1 ILE 35 -5.030 2.765 0.180 257 2HG1 ILE 35 2HG1 ILE 35 -3.981 2.504 -1.206 258 1HG2 ILE 35 1HG2 ILE 35 -7.448 2.557 0.009 259 2HG2 ILE 35 2HG2 ILE 35 -7.347 4.115 -0.805 260 3HG2 ILE 35 3HG2 ILE 35 -8.232 2.795 -1.552 261 1HD1 ILE 35 1HD1 ILE 35 -5.441 5.044 -0.542 262 2HD1 ILE 35 2HD1 ILE 35 -3.733 4.729 -0.282 263 3HD1 ILE 35 3HD1 ILE 35 -4.377 4.786 -1.918 264 H VAL 36 H VAL 36 -8.220 -0.271 -1.385 265 HA VAL 36 HA VAL 36 -9.021 -0.490 -4.183 266 HB VAL 36 HB VAL 36 -10.257 -1.705 -1.719 267 1HG1 VAL 36 1HG1 VAL 36 -10.787 -2.117 -4.657 268 2HG1 VAL 36 2HG1 VAL 36 -11.302 -3.250 -3.416 269 3HG1 VAL 36 3HG1 VAL 36 -11.916 -1.603 -3.414 270 1HG2 VAL 36 1HG2 VAL 36 -8.341 -2.866 -3.741 271 2HG2 VAL 36 2HG2 VAL 36 -8.019 -2.540 -2.040 272 3HG2 VAL 36 3HG2 VAL 36 -9.176 -3.788 -2.491 273 H LEU 37 H LEU 37 -10.399 0.842 -5.095 274 HA LEU 37 HA LEU 37 -12.629 1.956 -3.581 275 1HB LEU 37 1HB LEU 37 -11.981 4.225 -4.691 276 2HB LEU 37 2HB LEU 37 -11.355 3.761 -3.143 277 HG LEU 37 HG LEU 37 -9.359 2.793 -4.694 278 1HD1 LEU 37 1HD1 LEU 37 -10.564 3.603 -6.749 279 2HD1 LEU 37 2HD1 LEU 37 -10.227 5.244 -6.199 280 3HD1 LEU 37 3HD1 LEU 37 -8.901 4.146 -6.553 281 1HD2 LEU 37 1HD2 LEU 37 -9.800 5.176 -3.106 282 2HD2 LEU 37 2HD2 LEU 37 -8.381 4.155 -3.277 283 3HD2 LEU 37 3HD2 LEU 37 -8.664 5.465 -4.417 284 H LYS 38 H LYS 38 -14.235 2.966 -4.983 285 HA LYS 38 HA LYS 38 -14.331 1.596 -7.549 286 1HB LYS 38 1HB LYS 38 -16.647 2.232 -7.634 287 2HB LYS 38 2HB LYS 38 -16.433 3.335 -6.277 288 1HG LYS 38 1HG LYS 38 -16.300 0.334 -6.226 289 2HG LYS 38 2HG LYS 38 -15.858 1.356 -4.861 290 1HD LYS 38 1HD LYS 38 -18.216 2.381 -5.171 291 2HD LYS 38 2HD LYS 38 -18.542 0.946 -6.148 292 1HE LYS 38 1HE LYS 38 -17.365 0.643 -3.404 293 2HE LYS 38 2HE LYS 38 -19.083 0.978 -3.596 294 1HZ LYS 38 1HZ LYS 38 -19.297 -0.983 -4.979 295 2HZ LYS 38 2HZ LYS 38 -17.642 -1.309 -4.828 296 3HZ LYS 38 3HZ LYS 38 -18.647 -1.388 -3.471 297 H GLU 39 H GLU 39 -15.022 2.693 -9.491 298 HA GLU 39 HA GLU 39 -13.398 4.757 -10.297 299 1HB GLU 39 1HB GLU 39 -15.402 3.213 -11.462 300 2HB GLU 39 2HB GLU 39 -15.993 4.853 -11.652 301 1HG GLU 39 1HG GLU 39 -14.166 5.495 -12.944 302 2HG GLU 39 2HG GLU 39 -13.201 4.110 -12.450 303 H GLY 40 H GLY 40 -13.239 6.850 -9.823 304 1HA GLY 40 1HA GLY 40 -14.228 9.017 -9.769 305 2HA GLY 40 2HA GLY 40 -15.712 8.332 -9.141 306 H SER 41 H SER 41 -13.485 6.713 -7.428 307 HA SER 41 HA SER 41 -13.919 8.242 -5.072 308 1HB SER 41 1HB SER 41 -13.605 5.791 -5.068 309 2HB SER 41 2HB SER 41 -11.935 6.024 -5.565 310 HG SER 41 HG SER 41 -13.158 6.685 -3.113 311 H ALA 42 H ALA 42 -11.504 8.199 -3.725 312 HA ALA 42 HA ALA 42 -10.298 10.604 -4.655 313 1HB ALA 42 1HB ALA 42 -8.830 10.369 -2.729 314 2HB ALA 42 2HB ALA 42 -9.400 8.718 -2.476 315 3HB ALA 42 3HB ALA 42 -10.509 10.075 -2.283 316 H MET 43 H MET 43 -9.373 10.279 -6.665 317 HA MET 43 HA MET 43 -7.061 8.458 -6.707 318 1HB MET 43 1HB MET 43 -9.225 8.099 -8.233 319 2HB MET 43 2HB MET 43 -8.360 9.212 -9.274 320 1HG MET 43 1HG MET 43 -6.437 7.387 -8.532 321 2HG MET 43 2HG MET 43 -7.876 6.401 -8.662 322 1HE MET 43 1HE MET 43 -5.106 8.268 -10.216 323 2HE MET 43 2HE MET 43 -5.422 8.324 -11.950 324 3HE MET 43 3HE MET 43 -6.222 9.466 -10.872 325 H THR 44 H THR 44 -5.464 9.806 -6.253 326 HA THR 44 HA THR 44 -5.255 12.372 -7.619 327 HB THR 44 HB THR 44 -3.026 12.323 -6.149 328 HG1 THR 44 HG1 THR 44 -3.643 10.067 -5.523 329 1HG2 THR 44 1HG2 THR 44 -4.830 13.912 -5.802 330 2HG2 THR 44 2HG2 THR 44 -5.737 12.693 -4.906 331 3HG2 THR 44 3HG2 THR 44 -4.201 13.290 -4.277 332 H LYS 45 H LYS 45 -3.447 12.958 -8.855 333 HA LYS 45 HA LYS 45 -2.430 10.800 -10.498 334 1HB LYS 45 1HB LYS 45 -2.284 13.793 -10.553 335 2HB LYS 45 2HB LYS 45 -1.155 12.864 -11.522 336 1HG LYS 45 1HG LYS 45 -2.653 12.695 -13.110 337 2HG LYS 45 2HG LYS 45 -3.677 11.731 -12.044 338 1HD LYS 45 1HD LYS 45 -4.569 13.927 -11.133 339 2HD LYS 45 2HD LYS 45 -3.707 14.720 -12.456 340 1HE LYS 45 1HE LYS 45 -4.974 13.226 -14.039 341 2HE LYS 45 2HE LYS 45 -5.934 12.702 -12.653 342 1HZ LYS 45 1HZ LYS 45 -6.631 14.995 -12.318 343 2HZ LYS 45 2HZ LYS 45 -5.703 15.497 -13.644 344 3HZ LYS 45 3HZ LYS 45 -7.024 14.469 -13.877 345 H ASP 46 H ASP 46 -1.289 12.752 -7.857 346 HA ASP 46 HA ASP 46 1.415 12.724 -8.114 347 1HB ASP 46 1HB ASP 46 -0.162 13.501 -6.142 348 2HB ASP 46 2HB ASP 46 0.260 11.942 -5.442 349 H PHE 47 H PHE 47 3.100 11.318 -7.737 350 HA PHE 47 HA PHE 47 2.434 8.492 -7.980 351 1HB PHE 47 1HB PHE 47 4.084 9.224 -9.486 352 2HB PHE 47 2HB PHE 47 4.978 10.079 -8.236 353 HD1 PHE 47 HD1 PHE 47 6.536 8.941 -6.824 354 HD2 PHE 47 HD2 PHE 47 4.171 6.765 -9.622 355 HE1 PHE 47 HE1 PHE 47 7.916 6.943 -6.430 356 HE2 PHE 47 HE2 PHE 47 5.608 4.802 -9.299 357 HZ PHE 47 HZ PHE 47 7.485 4.894 -7.737 358 H ARG 48 H ARG 48 2.557 7.030 -6.401 359 HA ARG 48 HA ARG 48 4.237 7.507 -4.043 360 1HB ARG 48 1HB ARG 48 1.259 7.057 -3.965 361 2HB ARG 48 2HB ARG 48 2.298 6.787 -2.578 362 1HG ARG 48 1HG ARG 48 3.034 9.228 -2.922 363 2HG ARG 48 2HG ARG 48 1.632 9.355 -3.987 364 1HD ARG 48 1HD ARG 48 0.218 8.566 -2.100 365 2HD ARG 48 2HD ARG 48 1.004 10.112 -1.839 366 HE ARG 48 HE ARG 48 2.292 7.693 -0.779 367 1HH1 ARG 48 1HH1 ARG 48 0.443 10.616 -0.114 368 2HH1 ARG 48 2HH1 ARG 48 0.812 10.580 1.564 369 1HH2 ARG 48 1HH2 ARG 48 2.744 7.679 1.442 370 2HH2 ARG 48 2HH2 ARG 48 2.102 8.928 2.457 371 H CYS 49 H CYS 49 5.514 5.792 -4.134 372 HA CYS 49 HA CYS 49 4.992 3.369 -5.372 373 1HB CYS 49 1HB CYS 49 7.030 4.412 -3.526 374 2HB CYS 49 2HB CYS 49 6.836 2.671 -3.449 375 H ASP 50 H ASP 50 4.564 4.216 -1.962 376 HA ASP 50 HA ASP 50 3.705 1.556 -1.270 377 1HB ASP 50 1HB ASP 50 4.864 2.949 0.362 378 2HB ASP 50 2HB ASP 50 3.267 2.501 0.950 379 H ARG 51 H ARG 51 2.141 3.799 -3.072 380 HA ARG 51 HA ARG 51 -0.473 2.980 -2.029 381 1HB ARG 51 1HB ARG 51 0.050 5.370 -1.583 382 2HB ARG 51 2HB ARG 51 0.171 5.609 -3.315 383 1HG ARG 51 1HG ARG 51 -2.224 4.738 -3.463 384 2HG ARG 51 2HG ARG 51 -2.224 4.898 -1.715 385 1HD ARG 51 1HD ARG 51 -1.433 7.305 -2.145 386 2HD ARG 51 2HD ARG 51 -3.128 6.904 -2.380 387 HE ARG 51 HE ARG 51 -2.181 6.529 -4.849 388 1HH1 ARG 51 1HH1 ARG 51 -1.740 9.202 -2.599 389 2HH1 ARG 51 2HH1 ARG 51 -1.556 10.360 -3.855 390 1HH2 ARG 51 1HH2 ARG 51 -1.977 8.110 -6.479 391 2HH2 ARG 51 2HH2 ARG 51 -1.642 9.747 -6.049 392 H VAL 52 H VAL 52 -1.409 1.658 -3.413 393 HA VAL 52 HA VAL 52 -1.027 2.123 -6.312 394 HB VAL 52 HB VAL 52 -1.652 -0.495 -4.949 395 1HG1 VAL 52 1HG1 VAL 52 -1.251 0.262 -7.820 396 2HG1 VAL 52 2HG1 VAL 52 -1.134 -1.398 -7.253 397 3HG1 VAL 52 3HG1 VAL 52 -2.647 -0.513 -7.091 398 1HG2 VAL 52 1HG2 VAL 52 0.854 0.830 -5.382 399 2HG2 VAL 52 2HG2 VAL 52 0.516 -0.700 -4.590 400 3HG2 VAL 52 3HG2 VAL 52 0.790 -0.656 -6.326 401 H TRP 53 H TRP 53 -2.808 2.809 -7.319 402 HA TRP 53 HA TRP 53 -5.306 2.899 -5.916 403 1HB TRP 53 1HB TRP 53 -4.393 3.808 -8.626 404 2HB TRP 53 2HB TRP 53 -6.100 3.832 -8.223 405 HD1 TRP 53 HD1 TRP 53 -4.011 6.356 -8.807 406 HE1 TRP 53 HE1 TRP 53 -4.141 8.336 -7.168 407 HE3 TRP 53 HE3 TRP 53 -6.219 3.997 -4.854 408 HZ2 TRP 53 HZ2 TRP 53 -5.042 8.811 -4.526 409 HZ3 TRP 53 HZ3 TRP 53 -6.655 5.274 -2.812 410 HH2 TRP 53 HH2 TRP 53 -6.093 7.640 -2.656 411 H VAL 54 H VAL 54 -6.907 1.479 -5.946 412 HA VAL 54 HA VAL 54 -6.978 -0.511 -8.145 413 HB VAL 54 HB VAL 54 -7.532 -0.814 -5.205 414 1HG1 VAL 54 1HG1 VAL 54 -8.582 -2.450 -7.470 415 2HG1 VAL 54 2HG1 VAL 54 -8.217 -3.208 -5.924 416 3HG1 VAL 54 3HG1 VAL 54 -9.395 -1.921 -6.007 417 1HG2 VAL 54 1HG2 VAL 54 -5.225 -1.165 -6.089 418 2HG2 VAL 54 2HG2 VAL 54 -5.936 -2.557 -5.277 419 3HG2 VAL 54 3HG2 VAL 54 -5.872 -2.508 -7.034 420 H ILE 55 H ILE 55 -8.343 0.862 -9.358 421 HA ILE 55 HA ILE 55 -10.857 1.727 -8.254 422 HB ILE 55 HB ILE 55 -10.017 1.836 -11.133 423 1HG1 ILE 55 1HG1 ILE 55 -9.075 3.355 -8.790 424 2HG1 ILE 55 2HG1 ILE 55 -9.733 4.387 -10.050 425 1HG2 ILE 55 1HG2 ILE 55 -12.125 3.254 -9.541 426 2HG2 ILE 55 2HG2 ILE 55 -11.599 3.776 -11.140 427 3HG2 ILE 55 3HG2 ILE 55 -12.344 2.193 -10.934 428 1HD1 ILE 55 1HD1 ILE 55 -7.644 2.308 -10.609 429 2HD1 ILE 55 2HD1 ILE 55 -8.182 3.640 -11.630 430 3HD1 ILE 55 3HD1 ILE 55 -7.287 3.970 -10.154 431 H VAL 56 H VAL 56 -12.728 0.667 -8.318 432 HA VAL 56 HA VAL 56 -13.016 -1.573 -10.193 433 HB VAL 56 HB VAL 56 -14.299 -2.774 -8.520 434 1HG1 VAL 56 1HG1 VAL 56 -11.506 -2.328 -8.412 435 2HG1 VAL 56 2HG1 VAL 56 -12.083 -2.460 -6.756 436 3HG1 VAL 56 3HG1 VAL 56 -12.411 -3.743 -7.911 437 1HG2 VAL 56 1HG2 VAL 56 -13.705 -0.423 -6.749 438 2HG2 VAL 56 2HG2 VAL 56 -15.277 -1.038 -7.251 439 3HG2 VAL 56 3HG2 VAL 56 -14.284 -1.975 -6.149 440 H ASN 57 H ASN 57 -15.287 -2.185 -10.610 441 HA ASN 57 HA ASN 57 -16.818 0.217 -11.187 442 1HB ASN 57 1HB ASN 57 -16.592 -1.555 -12.872 443 2HB ASN 57 2HB ASN 57 -18.269 -1.253 -12.476 444 2HD2 ASN 57 2HD2 ASN 57 -17.412 -3.584 -13.720 445 1HD2 ASN 57 1HD2 ASN 57 -17.647 -4.899 -12.626 446 H ASP 58 H ASP 58 -19.355 -0.262 -11.016 447 HA ASP 58 HA ASP 58 -20.048 0.104 -8.360 448 1HB ASP 58 1HB ASP 58 -21.656 -0.773 -10.758 449 2HB ASP 58 2HB ASP 58 -22.413 -0.512 -9.188 450 H HIS 59 H HIS 59 -19.458 -2.889 -10.023 451 HA HIS 59 HA HIS 59 -20.868 -4.461 -8.036 452 1HB HIS 59 1HB HIS 59 -20.259 -4.856 -10.716 453 2HB HIS 59 2HB HIS 59 -19.128 -5.927 -9.899 454 HD1 HIS 59 HD1 HIS 59 -20.077 -8.015 -8.814 455 HD2 HIS 59 HD2 HIS 59 -23.000 -5.468 -10.306 456 HE1 HIS 59 HE1 HIS 59 -22.225 -9.320 -8.706 457 HE2 HIS 59 HE2 HIS 59 -23.994 -7.726 -9.529 458 H GLY 60 H GLY 60 -17.632 -3.337 -8.661 459 1HA GLY 60 1HA GLY 60 -16.095 -3.321 -6.830 460 2HA GLY 60 2HA GLY 60 -16.702 -4.878 -6.313 461 H VAL 61 H VAL 61 -16.167 -4.296 -9.708 462 HA VAL 61 HA VAL 61 -13.953 -6.225 -9.658 463 HB VAL 61 HB VAL 61 -15.524 -5.208 -12.036 464 1HG1 VAL 61 1HG1 VAL 61 -13.602 -7.505 -11.709 465 2HG1 VAL 61 2HG1 VAL 61 -14.572 -7.197 -13.148 466 3HG1 VAL 61 3HG1 VAL 61 -13.344 -6.040 -12.654 467 1HG2 VAL 61 1HG2 VAL 61 -15.882 -7.747 -10.448 468 2HG2 VAL 61 2HG2 VAL 61 -17.016 -6.398 -10.533 469 3HG2 VAL 61 3HG2 VAL 61 -16.693 -7.368 -11.967 470 H VAL 62 H VAL 62 -11.932 -5.696 -10.460 471 HA VAL 62 HA VAL 62 -11.243 -2.935 -10.449 472 HB VAL 62 HB VAL 62 -9.544 -5.248 -11.387 473 1HG1 VAL 62 1HG1 VAL 62 -8.791 -2.469 -10.456 474 2HG1 VAL 62 2HG1 VAL 62 -7.676 -3.774 -10.848 475 3HG1 VAL 62 3HG1 VAL 62 -8.682 -3.086 -12.105 476 1HG2 VAL 62 1HG2 VAL 62 -10.598 -4.976 -8.875 477 2HG2 VAL 62 2HG2 VAL 62 -9.100 -5.787 -9.274 478 3HG2 VAL 62 3HG2 VAL 62 -9.068 -4.125 -8.716 479 H THR 63 H THR 63 -11.712 -1.571 -12.052 480 HA THR 63 HA THR 63 -11.891 -2.560 -14.812 481 HB THR 63 HB THR 63 -12.953 -0.451 -15.316 482 HG1 THR 63 HG1 THR 63 -12.045 1.071 -14.090 483 1HG2 THR 63 1HG2 THR 63 -14.410 -2.145 -14.341 484 2HG2 THR 63 2HG2 THR 63 -14.061 -1.516 -12.731 485 3HG2 THR 63 3HG2 THR 63 -14.913 -0.512 -13.905 486 H SER 64 H SER 64 -9.973 -0.400 -12.789 487 HA SER 64 HA SER 64 -8.364 0.358 -15.141 488 1HB SER 64 1HB SER 64 -9.170 2.236 -13.842 489 2HB SER 64 2HB SER 64 -8.502 1.526 -12.384 490 HG SER 64 HG SER 64 -7.228 3.217 -13.581 491 H VAL 65 H VAL 65 -6.130 0.236 -15.080 492 HA VAL 65 HA VAL 65 -5.059 -2.146 -14.039 493 HB VAL 65 HB VAL 65 -3.369 0.187 -14.899 494 1HG1 VAL 65 1HG1 VAL 65 -2.926 -2.648 -14.360 495 2HG1 VAL 65 2HG1 VAL 65 -2.323 -2.145 -15.942 496 3HG1 VAL 65 3HG1 VAL 65 -1.791 -1.313 -14.487 497 1HG2 VAL 65 1HG2 VAL 65 -4.994 -1.679 -16.616 498 2HG2 VAL 65 2HG2 VAL 65 -4.948 0.083 -16.634 499 3HG2 VAL 65 3HG2 VAL 65 -3.568 -0.831 -17.215 500 1HB PRO 66 1HB PRO 66 -4.794 -2.021 -8.684 501 2HB PRO 66 2HB PRO 66 -3.350 -2.948 -9.044 502 1HG PRO 66 1HG PRO 66 -4.733 -4.317 -10.141 503 2HG PRO 66 2HG PRO 66 -6.036 -3.167 -10.149 504 1HD PRO 66 1HD PRO 66 -3.883 -3.586 -12.138 505 2HD PRO 66 2HD PRO 66 -5.559 -3.090 -12.379 506 H HIS 67 H HIS 67 -2.296 0.778 -10.853 507 HA HIS 67 HA HIS 67 0.248 -0.653 -10.412 508 1HB HIS 67 1HB HIS 67 1.250 0.866 -12.135 509 2HB HIS 67 2HB HIS 67 0.023 -0.229 -12.757 510 HD1 HIS 67 HD1 HIS 67 -2.467 0.926 -12.903 511 HD2 HIS 67 HD2 HIS 67 0.844 3.376 -13.071 512 HE1 HIS 67 HE1 HIS 67 -3.310 3.078 -13.860 513 HE2 HIS 67 HE2 HIS 67 -1.290 4.581 -13.891 514 H ILE 68 H ILE 68 1.826 0.394 -9.309 515 HA ILE 68 HA ILE 68 1.297 1.981 -7.217 516 HB ILE 68 HB ILE 68 3.696 1.453 -8.835 517 1HG1 ILE 68 1HG1 ILE 68 4.101 1.671 -5.982 518 2HG1 ILE 68 2HG1 ILE 68 2.666 0.752 -6.302 519 1HG2 ILE 68 1HG2 ILE 68 3.634 3.905 -7.084 520 2HG2 ILE 68 2HG2 ILE 68 5.110 3.099 -7.610 521 3HG2 ILE 68 3HG2 ILE 68 4.030 3.786 -8.799 522 1HD1 ILE 68 1HD1 ILE 68 5.380 0.168 -7.405 523 2HD1 ILE 68 2HD1 ILE 68 4.593 -0.662 -6.080 524 3HD1 ILE 68 3HD1 ILE 68 3.908 -0.760 -7.686 525 H THR 69 H THR 69 0.338 3.869 -6.980 526 HA THR 69 HA THR 69 1.173 6.205 -8.449 527 HB THR 69 HB THR 69 -1.508 4.923 -8.990 528 HG1 THR 69 HG1 THR 69 -0.800 4.857 -11.012 529 1HG2 THR 69 1HG2 THR 69 -0.728 7.769 -9.569 530 2HG2 THR 69 2HG2 THR 69 -2.117 6.938 -10.253 531 3HG2 THR 69 3HG2 THR 69 -2.037 7.241 -8.530 No H/Q in entry = 531 Start of MODEL 11 1 H SER 1 H SER 1 7.882 7.526 -10.328 2 HA SER 1 HA SER 1 9.002 5.704 -9.349 3 1HB SER 1 1HB SER 1 10.169 3.933 -10.615 4 2HB SER 1 2HB SER 1 9.974 4.859 -12.103 5 HG SER 1 HG SER 1 7.709 4.790 -11.763 6 H ARG 2 H ARG 2 10.587 5.930 -7.918 7 HA ARG 2 HA ARG 2 13.303 6.554 -8.913 8 1HB ARG 2 1HB ARG 2 11.859 7.783 -6.730 9 2HB ARG 2 2HB ARG 2 13.257 6.947 -6.102 10 1HG ARG 2 1HG ARG 2 14.597 8.186 -7.891 11 2HG ARG 2 2HG ARG 2 13.145 9.166 -8.117 12 1HD ARG 2 1HD ARG 2 14.766 10.195 -6.572 13 2HD ARG 2 2HD ARG 2 13.209 9.867 -5.811 14 HE ARG 2 HE ARG 2 14.992 7.699 -5.382 15 1HH1 ARG 2 1HH1 ARG 2 14.434 11.012 -4.359 16 2HH1 ARG 2 2HH1 ARG 2 15.167 10.767 -2.817 17 1HH2 ARG 2 1HH2 ARG 2 15.933 7.398 -3.344 18 2HH2 ARG 2 2HH2 ARG 2 16.018 8.726 -2.234 19 H ARG 3 H ARG 3 12.687 4.121 -9.336 20 HA ARG 3 HA ARG 3 13.088 1.949 -8.893 21 1HB ARG 3 1HB ARG 3 15.345 3.445 -8.054 22 2HB ARG 3 2HB ARG 3 15.114 2.224 -6.825 23 1HG ARG 3 1HG ARG 3 14.994 0.526 -8.698 24 2HG ARG 3 2HG ARG 3 16.557 1.268 -8.363 25 1HD ARG 3 1HD ARG 3 14.657 2.084 -10.563 26 2HD ARG 3 2HD ARG 3 16.195 2.862 -10.193 27 HE ARG 3 HE ARG 3 17.272 1.201 -11.300 28 1HH1 ARG 3 1HH1 ARG 3 14.041 0.057 -10.503 29 2HH1 ARG 3 2HH1 ARG 3 14.234 -1.414 -11.369 30 1HH2 ARG 3 1HH2 ARG 3 17.487 -0.760 -12.454 31 2HH2 ARG 3 2HH2 ARG 3 16.169 -1.885 -12.484 32 H CYS 4 H CYS 4 11.015 1.663 -7.910 33 HA CYS 4 HA CYS 4 11.039 1.566 -4.979 34 1HB CYS 4 1HB CYS 4 8.863 1.954 -4.927 35 2HB CYS 4 2HB CYS 4 8.487 1.049 -6.387 36 1HB PRO 5 1HB PRO 5 9.875 -2.854 -2.594 37 2HB PRO 5 2HB PRO 5 11.502 -3.438 -2.899 38 1HG PRO 5 1HG PRO 5 11.089 -1.204 -1.492 39 2HG PRO 5 2HG PRO 5 12.453 -1.370 -2.584 40 1HD PRO 5 1HD PRO 5 11.546 0.548 -3.435 41 2HD PRO 5 2HD PRO 5 9.885 0.103 -2.992 42 H GLY 6 H GLY 6 10.223 -4.767 -5.316 43 1HA GLY 6 1HA GLY 6 8.437 -6.018 -5.951 44 2HA GLY 6 2HA GLY 6 7.420 -4.896 -5.109 45 H LYS 7 H LYS 7 6.424 -6.040 -7.290 46 HA LYS 7 HA LYS 7 6.928 -4.900 -9.777 47 1HB LYS 7 1HB LYS 7 5.528 -6.867 -9.321 48 2HB LYS 7 2HB LYS 7 4.288 -5.851 -8.722 49 1HG LYS 7 1HG LYS 7 3.871 -4.875 -10.796 50 2HG LYS 7 2HG LYS 7 5.342 -5.544 -11.502 51 1HD LYS 7 1HD LYS 7 3.219 -7.373 -10.414 52 2HD LYS 7 2HD LYS 7 3.007 -6.637 -11.989 53 1HE LYS 7 1HE LYS 7 4.003 -8.756 -12.321 54 2HE LYS 7 2HE LYS 7 5.246 -7.546 -12.632 55 1HZ LYS 7 1HZ LYS 7 4.987 -8.793 -9.955 56 2HZ LYS 7 2HZ LYS 7 5.817 -9.569 -11.202 57 3HZ LYS 7 3HZ LYS 7 6.337 -8.056 -10.674 58 H ASN 8 H ASN 8 5.916 -3.208 -10.965 59 HA ASN 8 HA ASN 8 4.986 -1.008 -9.237 60 1HB ASN 8 1HB ASN 8 7.046 -0.767 -10.693 61 2HB ASN 8 2HB ASN 8 5.966 -0.790 -12.083 62 2HD2 ASN 8 2HD2 ASN 8 7.084 1.012 -9.338 63 1HD2 ASN 8 1HD2 ASN 8 6.359 2.502 -9.803 64 H ALA 9 H ALA 9 3.808 -3.139 -11.655 65 HA ALA 9 HA ALA 9 1.254 -1.813 -11.604 66 1HB ALA 9 1HB ALA 9 2.750 -2.201 -14.184 67 2HB ALA 9 2HB ALA 9 1.069 -1.682 -14.059 68 3HB ALA 9 3HB ALA 9 2.363 -0.653 -13.443 69 H TRP 10 H TRP 10 -0.439 -3.217 -11.837 70 HA TRP 10 HA TRP 10 0.299 -5.999 -12.559 71 1HB TRP 10 1HB TRP 10 -1.623 -5.020 -10.477 72 2HB TRP 10 2HB TRP 10 -1.508 -6.689 -11.002 73 HD1 TRP 10 HD1 TRP 10 0.324 -8.157 -9.904 74 HE1 TRP 10 HE1 TRP 10 2.146 -7.731 -8.143 75 HE3 TRP 10 HE3 TRP 10 0.034 -3.078 -9.621 76 HZ2 TRP 10 HZ2 TRP 10 3.293 -5.535 -6.803 77 HZ3 TRP 10 HZ3 TRP 10 1.511 -1.881 -8.081 78 HH2 TRP 10 HH2 TRP 10 3.110 -3.087 -6.684 79 1HB PRO 11 1HB PRO 11 -1.811 -5.927 -17.615 80 2HB PRO 11 2HB PRO 11 -1.467 -4.219 -17.350 81 1HG PRO 11 1HG PRO 11 0.111 -6.611 -16.531 82 2HG PRO 11 2HG PRO 11 0.674 -5.040 -17.131 83 1HD PRO 11 1HD PRO 11 0.812 -5.673 -14.546 84 2HD PRO 11 2HD PRO 11 0.424 -4.020 -15.062 85 H GLU 12 H GLU 12 -1.576 -7.562 -15.026 86 HA GLU 12 HA GLU 12 -3.734 -9.020 -16.074 87 1HB GLU 12 1HB GLU 12 -2.868 -10.893 -14.684 88 2HB GLU 12 2HB GLU 12 -1.659 -10.109 -15.689 89 1HG GLU 12 1HG GLU 12 -1.857 -8.938 -13.009 90 2HG GLU 12 2HG GLU 12 -1.458 -10.653 -13.009 91 H LEU 13 H LEU 13 -3.723 -7.024 -13.323 92 HA LEU 13 HA LEU 13 -5.598 -8.592 -11.805 93 1HB LEU 13 1HB LEU 13 -4.430 -5.850 -11.512 94 2HB LEU 13 2HB LEU 13 -5.788 -6.327 -10.527 95 HG LEU 13 HG LEU 13 -3.049 -7.577 -10.555 96 1HD1 LEU 13 1HD1 LEU 13 -4.535 -5.801 -8.688 97 2HD1 LEU 13 2HD1 LEU 13 -3.381 -6.934 -8.045 98 3HD1 LEU 13 3HD1 LEU 13 -2.882 -5.739 -9.183 99 1HD2 LEU 13 1HD2 LEU 13 -5.645 -8.615 -9.594 100 2HD2 LEU 13 2HD2 LEU 13 -4.205 -9.462 -10.147 101 3HD2 LEU 13 3HD2 LEU 13 -4.275 -8.809 -8.539 102 H VAL 14 H VAL 14 -5.736 -6.235 -14.317 103 HA VAL 14 HA VAL 14 -8.259 -5.126 -13.874 104 HB VAL 14 HB VAL 14 -7.007 -5.768 -16.558 105 1HG1 VAL 14 1HG1 VAL 14 -9.166 -3.815 -15.758 106 2HG1 VAL 14 2HG1 VAL 14 -8.365 -3.829 -17.329 107 3HG1 VAL 14 3HG1 VAL 14 -9.333 -5.207 -16.826 108 1HG2 VAL 14 1HG2 VAL 14 -5.529 -4.430 -15.049 109 2HG2 VAL 14 2HG2 VAL 14 -6.044 -3.582 -16.490 110 3HG2 VAL 14 3HG2 VAL 14 -6.810 -3.231 -14.943 111 H GLY 15 H GLY 15 -10.079 -6.265 -13.506 112 1HA GLY 15 1HA GLY 15 -11.857 -7.461 -14.691 113 2HA GLY 15 2HA GLY 15 -10.653 -8.601 -15.259 114 H LYS 16 H LYS 16 -9.706 -7.907 -12.188 115 HA LYS 16 HA LYS 16 -11.163 -10.243 -11.123 116 1HB LYS 16 1HB LYS 16 -8.473 -9.030 -10.564 117 2HB LYS 16 2HB LYS 16 -9.234 -10.046 -9.363 118 1HG LYS 16 1HG LYS 16 -8.829 -10.960 -12.190 119 2HG LYS 16 2HG LYS 16 -7.587 -11.126 -10.952 120 1HD LYS 16 1HD LYS 16 -8.714 -12.759 -9.834 121 2HD LYS 16 2HD LYS 16 -10.296 -12.105 -10.223 122 1HE LYS 16 1HE LYS 16 -10.086 -12.955 -12.495 123 2HE LYS 16 2HE LYS 16 -8.483 -13.593 -12.119 124 1HZ LYS 16 1HZ LYS 16 -11.027 -14.432 -10.831 125 2HZ LYS 16 2HZ LYS 16 -10.165 -15.307 -11.995 126 3HZ LYS 16 3HZ LYS 16 -9.489 -15.044 -10.468 127 H SER 17 H SER 17 -11.171 -10.064 -8.551 128 HA SER 17 HA SER 17 -12.981 -7.897 -7.992 129 1HB SER 17 1HB SER 17 -13.016 -10.312 -7.037 130 2HB SER 17 2HB SER 17 -13.420 -8.973 -5.964 131 HG SER 17 HG SER 17 -11.897 -10.521 -5.090 132 H GLY 18 H GLY 18 -12.676 -6.124 -6.646 133 1HA GLY 18 1HA GLY 18 -10.256 -4.818 -6.583 134 2HA GLY 18 2HA GLY 18 -11.541 -4.536 -5.440 135 H ASN 19 H ASN 19 -11.473 -7.207 -4.315 136 HA ASN 19 HA ASN 19 -9.398 -6.780 -2.392 137 1HB ASN 19 1HB ASN 19 -11.816 -8.139 -2.410 138 2HB ASN 19 2HB ASN 19 -10.651 -9.456 -2.405 139 2HD2 ASN 19 2HD2 ASN 19 -12.554 -8.253 -0.362 140 1HD2 ASN 19 1HD2 ASN 19 -11.555 -8.040 1.029 141 H MET 20 H MET 20 -9.887 -8.921 -5.139 142 HA MET 20 HA MET 20 -7.634 -10.577 -4.669 143 1HB MET 20 1HB MET 20 -9.686 -10.888 -6.256 144 2HB MET 20 2HB MET 20 -8.725 -10.010 -7.423 145 1HG MET 20 1HG MET 20 -7.504 -12.339 -6.001 146 2HG MET 20 2HG MET 20 -8.736 -12.648 -7.219 147 1HE MET 20 1HE MET 20 -5.263 -12.565 -6.539 148 2HE MET 20 2HE MET 20 -5.731 -13.835 -7.669 149 3HE MET 20 3HE MET 20 -4.546 -12.619 -8.150 150 H ALA 21 H ALA 21 -8.173 -7.588 -6.474 151 HA ALA 21 HA ALA 21 -5.639 -7.448 -7.669 152 1HB ALA 21 1HB ALA 21 -7.769 -5.445 -7.112 153 2HB ALA 21 2HB ALA 21 -7.231 -6.096 -8.660 154 3HB ALA 21 3HB ALA 21 -6.228 -4.934 -7.795 155 H ALA 22 H ALA 22 -6.928 -5.658 -4.879 156 HA ALA 22 HA ALA 22 -4.552 -4.457 -4.079 157 1HB ALA 22 1HB ALA 22 -6.792 -5.422 -2.297 158 2HB ALA 22 2HB ALA 22 -6.741 -3.879 -3.149 159 3HB ALA 22 3HB ALA 22 -5.572 -4.217 -1.874 160 H ALA 23 H ALA 23 -5.843 -7.654 -3.262 161 HA ALA 23 HA ALA 23 -3.894 -8.385 -1.375 162 1HB ALA 23 1HB ALA 23 -5.504 -10.117 -3.249 163 2HB ALA 23 2HB ALA 23 -5.954 -9.623 -1.617 164 3HB ALA 23 3HB ALA 23 -4.585 -10.705 -1.861 165 H THR 24 H THR 24 -4.020 -8.865 -4.902 166 HA THR 24 HA THR 24 -1.642 -10.351 -5.122 167 HB THR 24 HB THR 24 -2.829 -8.471 -7.158 168 HG1 THR 24 HG1 THR 24 -4.404 -9.913 -6.729 169 1HG2 THR 24 1HG2 THR 24 -0.978 -10.814 -7.471 170 2HG2 THR 24 2HG2 THR 24 -1.859 -10.056 -8.797 171 3HG2 THR 24 3HG2 THR 24 -0.663 -9.130 -7.893 172 H VAL 25 H VAL 25 -2.233 -6.856 -5.184 173 HA VAL 25 HA VAL 25 0.428 -6.118 -5.850 174 HB VAL 25 HB VAL 25 -1.625 -4.482 -4.337 175 1HG1 VAL 25 1HG1 VAL 25 1.098 -3.935 -5.154 176 2HG1 VAL 25 2HG1 VAL 25 -0.025 -2.823 -5.926 177 3HG1 VAL 25 3HG1 VAL 25 -0.006 -2.984 -4.178 178 1HG2 VAL 25 1HG2 VAL 25 -1.126 -4.707 -7.301 179 2HG2 VAL 25 2HG2 VAL 25 -2.549 -5.238 -6.449 180 3HG2 VAL 25 3HG2 VAL 25 -2.187 -3.530 -6.541 181 H GLU 26 H GLU 26 -1.285 -6.085 -2.706 182 HA GLU 26 HA GLU 26 1.025 -5.411 -1.207 183 1HB GLU 26 1HB GLU 26 -1.586 -6.698 -0.418 184 2HB GLU 26 2HB GLU 26 -0.362 -6.201 0.748 185 1HG GLU 26 1HG GLU 26 -0.853 -4.044 0.573 186 2HG GLU 26 2HG GLU 26 -1.097 -4.112 -1.169 187 H ARG 27 H ARG 27 -0.109 -8.452 -2.472 188 HA ARG 27 HA ARG 27 1.511 -10.027 -0.653 189 1HB ARG 27 1HB ARG 27 -0.679 -10.784 -1.670 190 2HB ARG 27 2HB ARG 27 0.172 -10.970 -3.200 191 1HG ARG 27 1HG ARG 27 1.758 -12.361 -1.402 192 2HG ARG 27 2HG ARG 27 0.124 -12.640 -0.797 193 1HD ARG 27 1HD ARG 27 1.021 -13.095 -3.638 194 2HD ARG 27 2HD ARG 27 0.892 -14.353 -2.418 195 HE ARG 27 HE ARG 27 -1.253 -13.080 -3.876 196 1HH1 ARG 27 1HH1 ARG 27 -0.423 -14.927 -0.999 197 2HH1 ARG 27 2HH1 ARG 27 -2.021 -15.529 -0.796 198 1HH2 ARG 27 1HH2 ARG 27 -3.368 -13.893 -3.569 199 2HH2 ARG 27 2HH2 ARG 27 -3.694 -14.950 -2.236 200 H GLU 28 H GLU 28 1.527 -9.336 -4.160 201 HA GLU 28 HA GLU 28 4.039 -10.599 -4.623 202 1HB GLU 28 1HB GLU 28 2.534 -8.529 -6.226 203 2HB GLU 28 2HB GLU 28 3.979 -9.360 -6.794 204 1HG GLU 28 1HG GLU 28 2.605 -11.518 -6.282 205 2HG GLU 28 2HG GLU 28 1.223 -10.435 -6.358 206 H ASN 29 H ASN 29 3.065 -7.293 -3.852 207 HA ASN 29 HA ASN 29 5.924 -6.561 -3.624 208 1HB ASN 29 1HB ASN 29 4.784 -5.355 -5.418 209 2HB ASN 29 2HB ASN 29 3.567 -4.778 -4.285 210 2HD2 ASN 29 2HD2 ASN 29 5.375 -3.232 -5.946 211 1HD2 ASN 29 1HD2 ASN 29 6.321 -2.280 -4.859 212 H ARG 30 H ARG 30 5.822 -7.455 -1.481 213 HA ARG 30 HA ARG 30 4.077 -6.508 0.519 214 1HB ARG 30 1HB ARG 30 5.910 -8.490 0.381 215 2HB ARG 30 2HB ARG 30 6.832 -7.329 1.315 216 1HG ARG 30 1HG ARG 30 5.718 -7.792 3.157 217 2HG ARG 30 2HG ARG 30 4.153 -7.545 2.386 218 1HD ARG 30 1HD ARG 30 3.902 -9.742 1.871 219 2HD ARG 30 2HD ARG 30 5.617 -10.060 1.756 220 HE ARG 30 HE ARG 30 5.740 -9.997 4.185 221 1HH1 ARG 30 1HH1 ARG 30 2.567 -10.537 2.740 222 2HH1 ARG 30 2HH1 ARG 30 1.952 -11.313 4.142 223 1HH2 ARG 30 1HH2 ARG 30 4.878 -11.032 6.019 224 2HH2 ARG 30 2HH2 ARG 30 3.241 -11.598 5.997 225 H ASN 31 H ASN 31 6.344 -4.700 -1.139 226 HA ASN 31 HA ASN 31 7.168 -3.098 1.147 227 1HB ASN 31 1HB ASN 31 8.805 -3.674 -0.598 228 2HB ASN 31 2HB ASN 31 7.833 -2.821 -1.787 229 2HD2 ASN 31 2HD2 ASN 31 9.997 -2.506 0.910 230 1HD2 ASN 31 1HD2 ASN 31 10.245 -0.805 0.750 231 H VAL 32 H VAL 32 4.635 -3.178 -1.147 232 HA VAL 32 HA VAL 32 3.822 -0.467 -0.347 233 HB VAL 32 HB VAL 32 3.283 0.190 -2.551 234 1HG1 VAL 32 1HG1 VAL 32 5.663 0.466 -1.936 235 2HG1 VAL 32 2HG1 VAL 32 6.012 -1.113 -2.626 236 3HG1 VAL 32 3HG1 VAL 32 5.488 0.190 -3.664 237 1HG2 VAL 32 1HG2 VAL 32 3.648 -2.663 -3.224 238 2HG2 VAL 32 2HG2 VAL 32 2.432 -1.520 -3.738 239 3HG2 VAL 32 3HG2 VAL 32 4.023 -1.474 -4.471 240 H HIS 33 H HIS 33 1.495 -0.051 -0.877 241 HA HIS 33 HA HIS 33 -0.054 -2.533 -1.044 242 1HB HIS 33 1HB HIS 33 -1.502 -1.932 0.759 243 2HB HIS 33 2HB HIS 33 0.151 -1.849 1.349 244 HD1 HIS 33 HD1 HIS 33 -1.644 -0.373 3.060 245 HD2 HIS 33 HD2 HIS 33 -0.195 1.365 -0.398 246 HE1 HIS 33 HE1 HIS 33 -1.846 2.107 3.410 247 HE2 HIS 33 HE2 HIS 33 -0.845 3.136 1.339 248 H ALA 34 H ALA 34 -2.378 -2.180 -1.536 249 HA ALA 34 HA ALA 34 -2.621 0.136 -3.343 250 1HB ALA 34 1HB ALA 34 -4.152 -2.387 -3.766 251 2HB ALA 34 2HB ALA 34 -3.672 -1.144 -4.913 252 3HB ALA 34 3HB ALA 34 -2.474 -2.261 -4.287 253 H ILE 35 H ILE 35 -4.442 1.343 -3.353 254 HA ILE 35 HA ILE 35 -6.318 0.880 -1.132 255 HB ILE 35 HB ILE 35 -6.045 3.334 -2.831 256 1HG1 ILE 35 1HG1 ILE 35 -4.789 2.743 -0.152 257 2HG1 ILE 35 2HG1 ILE 35 -3.928 2.916 -1.679 258 1HG2 ILE 35 1HG2 ILE 35 -8.196 3.047 -1.636 259 2HG2 ILE 35 2HG2 ILE 35 -7.304 2.923 -0.126 260 3HG2 ILE 35 3HG2 ILE 35 -7.295 4.423 -1.043 261 1HD1 ILE 35 1HD1 ILE 35 -5.486 5.102 -0.315 262 2HD1 ILE 35 2HD1 ILE 35 -3.744 4.895 -0.291 263 3HD1 ILE 35 3HD1 ILE 35 -4.562 5.234 -1.801 264 H VAL 36 H VAL 36 -8.074 -0.242 -1.696 265 HA VAL 36 HA VAL 36 -9.016 -0.291 -4.415 266 HB VAL 36 HB VAL 36 -9.010 -2.273 -2.841 267 1HG1 VAL 36 1HG1 VAL 36 -10.089 -0.919 -0.956 268 2HG1 VAL 36 2HG1 VAL 36 -11.616 -1.165 -1.809 269 3HG1 VAL 36 3HG1 VAL 36 -10.688 -2.548 -1.242 270 1HG2 VAL 36 1HG2 VAL 36 -11.224 -1.429 -4.639 271 2HG2 VAL 36 2HG2 VAL 36 -10.116 -2.793 -4.734 272 3HG2 VAL 36 3HG2 VAL 36 -11.485 -2.859 -3.644 273 H LEU 37 H LEU 37 -10.489 0.943 -5.296 274 HA LEU 37 HA LEU 37 -12.713 1.999 -3.778 275 1HB LEU 37 1HB LEU 37 -12.155 4.336 -4.730 276 2HB LEU 37 2HB LEU 37 -11.451 3.804 -3.235 277 HG LEU 37 HG LEU 37 -9.462 3.033 -4.866 278 1HD1 LEU 37 1HD1 LEU 37 -10.697 3.792 -6.882 279 2HD1 LEU 37 2HD1 LEU 37 -10.576 5.441 -6.287 280 3HD1 LEU 37 3HD1 LEU 37 -9.123 4.538 -6.660 281 1HD2 LEU 37 1HD2 LEU 37 -10.059 5.521 -3.391 282 2HD2 LEU 37 2HD2 LEU 37 -8.724 4.383 -3.247 283 3HD2 LEU 37 3HD2 LEU 37 -8.721 5.583 -4.530 284 H LYS 38 H LYS 38 -14.278 3.083 -5.195 285 HA LYS 38 HA LYS 38 -14.318 1.758 -7.782 286 1HB LYS 38 1HB LYS 38 -16.642 2.409 -7.906 287 2HB LYS 38 2HB LYS 38 -16.474 3.406 -6.470 288 1HG LYS 38 1HG LYS 38 -15.883 0.482 -6.360 289 2HG LYS 38 2HG LYS 38 -17.529 1.045 -6.318 290 1HD LYS 38 1HD LYS 38 -16.069 2.626 -4.457 291 2HD LYS 38 2HD LYS 38 -17.349 1.460 -4.165 292 1HE LYS 38 1HE LYS 38 -14.481 0.624 -4.515 293 2HE LYS 38 2HE LYS 38 -15.167 1.069 -2.956 294 1HZ LYS 38 1HZ LYS 38 -16.804 -0.686 -3.203 295 2HZ LYS 38 2HZ LYS 38 -16.162 -1.111 -4.713 296 3HZ LYS 38 3HZ LYS 38 -15.238 -1.313 -3.311 297 H GLU 39 H GLU 39 -14.834 2.831 -9.736 298 HA GLU 39 HA GLU 39 -13.271 4.981 -10.407 299 1HB GLU 39 1HB GLU 39 -14.469 3.421 -11.956 300 2HB GLU 39 2HB GLU 39 -15.936 4.347 -11.684 301 1HG GLU 39 1HG GLU 39 -15.314 6.013 -13.029 302 2HG GLU 39 2HG GLU 39 -13.633 5.984 -12.495 303 H GLY 40 H GLY 40 -13.231 7.006 -9.693 304 1HA GLY 40 1HA GLY 40 -14.365 9.151 -9.789 305 2HA GLY 40 2HA GLY 40 -15.821 8.378 -9.191 306 H SER 41 H SER 41 -13.500 6.885 -7.476 307 HA SER 41 HA SER 41 -14.065 8.358 -5.103 308 1HB SER 41 1HB SER 41 -13.646 5.920 -5.130 309 2HB SER 41 2HB SER 41 -11.987 6.238 -5.584 310 HG SER 41 HG SER 41 -12.587 5.936 -3.230 311 H ALA 42 H ALA 42 -11.583 8.323 -3.768 312 HA ALA 42 HA ALA 42 -10.480 10.807 -4.712 313 1HB ALA 42 1HB ALA 42 -9.108 10.709 -2.707 314 2HB ALA 42 2HB ALA 42 -9.639 9.052 -2.405 315 3HB ALA 42 3HB ALA 42 -10.799 10.378 -2.334 316 H MET 43 H MET 43 -9.382 10.503 -6.608 317 HA MET 43 HA MET 43 -7.084 8.659 -6.512 318 1HB MET 43 1HB MET 43 -8.949 8.097 -8.116 319 2HB MET 43 2HB MET 43 -8.512 9.537 -9.018 320 1HG MET 43 1HG MET 43 -6.368 7.609 -8.363 321 2HG MET 43 2HG MET 43 -7.551 7.100 -9.531 322 1HE MET 43 1HE MET 43 -8.153 8.276 -11.603 323 2HE MET 43 2HE MET 43 -8.170 9.984 -11.164 324 3HE MET 43 3HE MET 43 -7.143 9.424 -12.483 325 H THR 44 H THR 44 -5.553 10.053 -5.831 326 HA THR 44 HA THR 44 -5.235 12.640 -7.069 327 HB THR 44 HB THR 44 -2.933 12.171 -5.575 328 HG1 THR 44 HG1 THR 44 -3.674 10.263 -4.744 329 1HG2 THR 44 1HG2 THR 44 -5.534 13.272 -4.550 330 2HG2 THR 44 2HG2 THR 44 -3.937 13.506 -3.837 331 3HG2 THR 44 3HG2 THR 44 -4.300 14.176 -5.427 332 H LYS 45 H LYS 45 -3.324 13.297 -8.168 333 HA LYS 45 HA LYS 45 -2.359 11.248 -9.997 334 1HB LYS 45 1HB LYS 45 -2.229 14.239 -9.861 335 2HB LYS 45 2HB LYS 45 -1.076 13.377 -10.874 336 1HG LYS 45 1HG LYS 45 -3.216 12.205 -11.828 337 2HG LYS 45 2HG LYS 45 -4.039 13.602 -11.133 338 1HD LYS 45 1HD LYS 45 -3.592 14.586 -13.089 339 2HD LYS 45 2HD LYS 45 -1.978 14.836 -12.427 340 1HE LYS 45 1HE LYS 45 -1.288 12.678 -13.458 341 2HE LYS 45 2HE LYS 45 -2.886 12.568 -14.197 342 1HZ LYS 45 1HZ LYS 45 -2.444 14.634 -15.373 343 2HZ LYS 45 2HZ LYS 45 -0.911 14.742 -14.658 344 3HZ LYS 45 3HZ LYS 45 -1.262 13.478 -15.725 345 H ASP 46 H ASP 46 -1.214 13.060 -7.252 346 HA ASP 46 HA ASP 46 1.479 13.041 -7.468 347 1HB ASP 46 1HB ASP 46 -0.351 13.330 -5.369 348 2HB ASP 46 2HB ASP 46 0.683 12.019 -4.826 349 H PHE 47 H PHE 47 3.097 11.590 -7.584 350 HA PHE 47 HA PHE 47 2.422 8.795 -7.861 351 1HB PHE 47 1HB PHE 47 3.998 9.780 -9.390 352 2HB PHE 47 2HB PHE 47 5.043 10.277 -8.064 353 HD1 PHE 47 HD1 PHE 47 6.607 8.773 -7.105 354 HD2 PHE 47 HD2 PHE 47 3.737 7.362 -9.922 355 HE1 PHE 47 HE1 PHE 47 7.816 6.663 -7.278 356 HE2 PHE 47 HE2 PHE 47 4.950 5.244 -10.091 357 HZ PHE 47 HZ PHE 47 6.979 4.862 -8.746 358 H ARG 48 H ARG 48 2.786 7.172 -6.483 359 HA ARG 48 HA ARG 48 4.587 7.446 -4.213 360 1HB ARG 48 1HB ARG 48 3.034 7.144 -2.520 361 2HB ARG 48 2HB ARG 48 1.751 6.655 -3.608 362 1HG ARG 48 1HG ARG 48 2.858 9.441 -3.432 363 2HG ARG 48 2HG ARG 48 1.494 8.905 -4.418 364 1HD ARG 48 1HD ARG 48 0.781 10.030 -2.379 365 2HD ARG 48 2HD ARG 48 0.239 8.370 -2.453 366 HE ARG 48 HE ARG 48 2.056 7.783 -0.912 367 1HH1 ARG 48 1HH1 ARG 48 0.927 11.120 -0.976 368 2HH1 ARG 48 2HH1 ARG 48 1.461 11.429 0.626 369 1HH2 ARG 48 1HH2 ARG 48 2.759 8.244 1.192 370 2HH2 ARG 48 2HH2 ARG 48 2.493 9.820 1.859 371 H CYS 49 H CYS 49 5.746 5.651 -4.493 372 HA CYS 49 HA CYS 49 4.884 3.350 -5.832 373 1HB CYS 49 1HB CYS 49 6.890 2.335 -5.223 374 2HB CYS 49 2HB CYS 49 7.080 3.318 -3.789 375 H ASP 50 H ASP 50 4.688 4.269 -2.478 376 HA ASP 50 HA ASP 50 4.013 1.649 -1.538 377 1HB ASP 50 1HB ASP 50 3.534 2.729 0.594 378 2HB ASP 50 2HB ASP 50 5.114 3.166 -0.047 379 H ARG 51 H ARG 51 2.260 3.969 -3.248 380 HA ARG 51 HA ARG 51 -0.262 2.861 -2.216 381 1HB ARG 51 1HB ARG 51 0.083 5.248 -1.645 382 2HB ARG 51 2HB ARG 51 0.180 5.612 -3.360 383 1HG ARG 51 1HG ARG 51 -2.168 4.533 -3.512 384 2HG ARG 51 2HG ARG 51 -2.166 4.712 -1.764 385 1HD ARG 51 1HD ARG 51 -3.205 6.650 -2.505 386 2HD ARG 51 2HD ARG 51 -1.548 7.152 -2.202 387 HE ARG 51 HE ARG 51 -2.188 6.327 -4.929 388 1HH1 ARG 51 1HH1 ARG 51 -1.841 9.018 -2.683 389 2HH1 ARG 51 2HH1 ARG 51 -1.611 10.168 -3.940 390 1HH2 ARG 51 1HH2 ARG 51 -1.909 7.892 -6.560 391 2HH2 ARG 51 2HH2 ARG 51 -1.634 9.539 -6.133 392 H VAL 52 H VAL 52 -1.258 1.631 -3.625 393 HA VAL 52 HA VAL 52 -0.924 2.181 -6.516 394 HB VAL 52 HB VAL 52 -1.538 -0.457 -5.184 395 1HG1 VAL 52 1HG1 VAL 52 -1.419 0.407 -8.038 396 2HG1 VAL 52 2HG1 VAL 52 -1.037 -1.255 -7.603 397 3HG1 VAL 52 3HG1 VAL 52 -2.616 -0.579 -7.223 398 1HG2 VAL 52 1HG2 VAL 52 0.948 0.815 -5.545 399 2HG2 VAL 52 2HG2 VAL 52 0.628 -0.840 -5.052 400 3HG2 VAL 52 3HG2 VAL 52 0.856 -0.455 -6.749 401 H TRP 53 H TRP 53 -2.722 2.935 -7.472 402 HA TRP 53 HA TRP 53 -5.194 2.994 -6.020 403 1HB TRP 53 1HB TRP 53 -4.306 4.009 -8.698 404 2HB TRP 53 2HB TRP 53 -6.018 3.987 -8.315 405 HD1 TRP 53 HD1 TRP 53 -3.959 6.572 -8.775 406 HE1 TRP 53 HE1 TRP 53 -4.146 8.482 -7.057 407 HE3 TRP 53 HE3 TRP 53 -6.199 4.024 -4.953 408 HZ2 TRP 53 HZ2 TRP 53 -5.087 8.825 -4.412 409 HZ3 TRP 53 HZ3 TRP 53 -6.699 5.236 -2.887 410 HH2 TRP 53 HH2 TRP 53 -6.150 7.577 -2.610 411 H VAL 54 H VAL 54 -6.889 1.669 -6.139 412 HA VAL 54 HA VAL 54 -6.944 -0.299 -8.359 413 HB VAL 54 HB VAL 54 -7.590 -0.645 -5.440 414 1HG1 VAL 54 1HG1 VAL 54 -8.365 -2.363 -7.773 415 2HG1 VAL 54 2HG1 VAL 54 -8.183 -3.038 -6.156 416 3HG1 VAL 54 3HG1 VAL 54 -9.381 -1.788 -6.460 417 1HG2 VAL 54 1HG2 VAL 54 -5.226 -0.891 -6.297 418 2HG2 VAL 54 2HG2 VAL 54 -5.895 -2.250 -5.401 419 3HG2 VAL 54 3HG2 VAL 54 -5.797 -2.318 -7.155 420 H ILE 55 H ILE 55 -8.338 0.855 -9.648 421 HA ILE 55 HA ILE 55 -10.829 1.873 -8.576 422 HB ILE 55 HB ILE 55 -10.142 1.723 -11.471 423 1HG1 ILE 55 1HG1 ILE 55 -8.251 2.808 -10.184 424 2HG1 ILE 55 2HG1 ILE 55 -9.047 3.844 -11.347 425 1HG2 ILE 55 1HG2 ILE 55 -11.988 3.415 -9.845 426 2HG2 ILE 55 2HG2 ILE 55 -11.534 3.825 -11.500 427 3HG2 ILE 55 3HG2 ILE 55 -12.375 2.315 -11.161 428 1HD1 ILE 55 1HD1 ILE 55 -10.335 4.111 -8.805 429 2HD1 ILE 55 2HD1 ILE 55 -8.603 4.355 -8.658 430 3HD1 ILE 55 3HD1 ILE 55 -9.540 5.313 -9.797 431 H VAL 56 H VAL 56 -12.723 0.851 -8.589 432 HA VAL 56 HA VAL 56 -13.054 -1.505 -10.300 433 HB VAL 56 HB VAL 56 -14.248 -2.643 -8.532 434 1HG1 VAL 56 1HG1 VAL 56 -11.433 -2.054 -8.420 435 2HG1 VAL 56 2HG1 VAL 56 -12.063 -2.337 -6.806 436 3HG1 VAL 56 3HG1 VAL 56 -12.287 -3.537 -8.064 437 1HG2 VAL 56 1HG2 VAL 56 -13.713 -0.170 -6.947 438 2HG2 VAL 56 2HG2 VAL 56 -15.243 -0.969 -7.285 439 3HG2 VAL 56 3HG2 VAL 56 -14.096 -1.708 -6.182 440 H ASN 57 H ASN 57 -15.347 -2.140 -10.576 441 HA ASN 57 HA ASN 57 -16.904 0.253 -11.178 442 1HB ASN 57 1HB ASN 57 -16.711 -1.573 -12.824 443 2HB ASN 57 2HB ASN 57 -18.368 -1.240 -12.410 444 2HD2 ASN 57 2HD2 ASN 57 -18.095 -3.532 -13.567 445 1HD2 ASN 57 1HD2 ASN 57 -18.109 -4.846 -12.447 446 H ASP 58 H ASP 58 -19.489 -0.575 -10.950 447 HA ASP 58 HA ASP 58 -20.061 -0.063 -8.250 448 1HB ASP 58 1HB ASP 58 -21.680 -0.932 -10.628 449 2HB ASP 58 2HB ASP 58 -22.430 -0.919 -9.035 450 H HIS 59 H HIS 59 -19.313 -3.032 -9.829 451 HA HIS 59 HA HIS 59 -20.549 -4.626 -7.722 452 1HB HIS 59 1HB HIS 59 -19.838 -5.064 -10.511 453 2HB HIS 59 2HB HIS 59 -19.182 -6.332 -9.488 454 HD1 HIS 59 HD1 HIS 59 -20.936 -7.682 -8.025 455 HD2 HIS 59 HD2 HIS 59 -22.535 -5.233 -10.975 456 HE1 HIS 59 HE1 HIS 59 -23.309 -8.455 -8.324 457 HE2 HIS 59 HE2 HIS 59 -24.229 -7.018 -10.180 458 H GLY 60 H GLY 60 -17.756 -2.954 -7.903 459 1HA GLY 60 1HA GLY 60 -15.913 -3.090 -6.562 460 2HA GLY 60 2HA GLY 60 -16.491 -4.618 -5.934 461 H VAL 61 H VAL 61 -16.180 -4.138 -9.376 462 HA VAL 61 HA VAL 61 -14.051 -6.161 -9.435 463 HB VAL 61 HB VAL 61 -15.664 -5.056 -11.747 464 1HG1 VAL 61 1HG1 VAL 61 -13.941 -7.519 -11.450 465 2HG1 VAL 61 2HG1 VAL 61 -14.931 -7.133 -12.858 466 3HG1 VAL 61 3HG1 VAL 61 -13.580 -6.094 -12.424 467 1HG2 VAL 61 1HG2 VAL 61 -16.168 -7.518 -10.073 468 2HG2 VAL 61 2HG2 VAL 61 -17.181 -6.078 -10.164 469 3HG2 VAL 61 3HG2 VAL 61 -17.003 -7.113 -11.574 470 H VAL 62 H VAL 62 -12.008 -5.653 -10.052 471 HA VAL 62 HA VAL 62 -11.225 -2.948 -10.299 472 HB VAL 62 HB VAL 62 -9.624 -5.393 -11.049 473 1HG1 VAL 62 1HG1 VAL 62 -8.832 -2.528 -10.508 474 2HG1 VAL 62 2HG1 VAL 62 -7.686 -3.870 -10.526 475 3HG1 VAL 62 3HG1 VAL 62 -8.585 -3.468 -11.981 476 1HG2 VAL 62 1HG2 VAL 62 -10.603 -4.665 -8.530 477 2HG2 VAL 62 2HG2 VAL 62 -9.363 -5.839 -8.901 478 3HG2 VAL 62 3HG2 VAL 62 -8.919 -4.182 -8.526 479 H THR 63 H THR 63 -11.860 -1.750 -11.980 480 HA THR 63 HA THR 63 -11.943 -2.914 -14.669 481 HB THR 63 HB THR 63 -13.110 -0.906 -15.314 482 HG1 THR 63 HG1 THR 63 -13.201 0.847 -14.082 483 1HG2 THR 63 1HG2 THR 63 -14.376 -2.699 -14.053 484 2HG2 THR 63 2HG2 THR 63 -14.265 -1.635 -12.649 485 3HG2 THR 63 3HG2 THR 63 -15.092 -1.089 -14.105 486 H SER 64 H SER 64 -10.103 -0.631 -12.737 487 HA SER 64 HA SER 64 -8.549 0.135 -15.122 488 1HB SER 64 1HB SER 64 -8.389 1.386 -12.379 489 2HB SER 64 2HB SER 64 -7.791 2.018 -13.908 490 HG SER 64 HG SER 64 -9.719 3.032 -13.452 491 H VAL 65 H VAL 65 -6.302 0.054 -15.097 492 HA VAL 65 HA VAL 65 -5.199 -2.281 -13.951 493 HB VAL 65 HB VAL 65 -3.565 0.015 -15.013 494 1HG1 VAL 65 1HG1 VAL 65 -3.101 -2.850 -14.414 495 2HG1 VAL 65 2HG1 VAL 65 -2.330 -2.216 -15.869 496 3HG1 VAL 65 3HG1 VAL 65 -2.025 -1.469 -14.307 497 1HG2 VAL 65 1HG2 VAL 65 -5.523 -1.602 -16.440 498 2HG2 VAL 65 2HG2 VAL 65 -4.654 -0.163 -16.925 499 3HG2 VAL 65 3HG2 VAL 65 -3.917 -1.743 -17.128 500 1HB PRO 66 1HB PRO 66 -3.501 -2.512 -8.666 501 2HB PRO 66 2HB PRO 66 -5.159 -2.089 -9.102 502 1HG PRO 66 1HG PRO 66 -3.346 -4.074 -10.374 503 2HG PRO 66 2HG PRO 66 -5.072 -4.200 -10.018 504 1HD PRO 66 1HD PRO 66 -4.001 -3.549 -12.490 505 2HD PRO 66 2HD PRO 66 -5.651 -3.189 -11.971 506 H HIS 67 H HIS 67 -2.192 0.786 -10.639 507 HA HIS 67 HA HIS 67 0.314 -0.734 -10.351 508 1HB HIS 67 1HB HIS 67 1.278 0.756 -12.168 509 2HB HIS 67 2HB HIS 67 0.073 -0.409 -12.696 510 HD1 HIS 67 HD1 HIS 67 -2.496 0.737 -12.642 511 HD2 HIS 67 HD2 HIS 67 0.783 3.119 -13.392 512 HE1 HIS 67 HE1 HIS 67 -3.432 2.799 -13.695 513 HE2 HIS 67 HE2 HIS 67 -1.404 4.171 -14.282 514 H ILE 68 H ILE 68 1.997 0.352 -9.418 515 HA ILE 68 HA ILE 68 1.676 1.981 -7.330 516 HB ILE 68 HB ILE 68 3.909 1.420 -9.151 517 1HG1 ILE 68 1HG1 ILE 68 3.752 1.698 -6.168 518 2HG1 ILE 68 2HG1 ILE 68 3.460 0.220 -7.043 519 1HG2 ILE 68 1HG2 ILE 68 3.907 3.999 -7.603 520 2HG2 ILE 68 2HG2 ILE 68 5.392 3.171 -8.037 521 3HG2 ILE 68 3HG2 ILE 68 4.308 3.678 -9.286 522 1HD1 ILE 68 1HD1 ILE 68 6.083 1.690 -7.001 523 2HD1 ILE 68 2HD1 ILE 68 5.684 0.255 -6.076 524 3HD1 ILE 68 3HD1 ILE 68 5.741 0.186 -7.827 525 H THR 69 H THR 69 0.733 3.882 -7.033 526 HA THR 69 HA THR 69 1.478 6.229 -8.469 527 HB THR 69 HB THR 69 -1.139 4.899 -9.149 528 HG1 THR 69 HG1 THR 69 -0.391 5.042 -11.155 529 1HG2 THR 69 1HG2 THR 69 -0.530 7.837 -9.329 530 2HG2 THR 69 2HG2 THR 69 -1.734 7.033 -10.331 531 3HG2 THR 69 3HG2 THR 69 -1.915 7.059 -8.590 No H/Q in entry = 531 Start of MODEL 12 1 H SER 1 H SER 1 12.970 9.528 -10.529 2 HA SER 1 HA SER 1 13.513 7.562 -8.302 3 1HB SER 1 1HB SER 1 11.541 8.514 -7.248 4 2HB SER 1 2HB SER 1 12.593 9.803 -7.809 5 HG SER 1 HG SER 1 10.293 8.810 -9.206 6 H ARG 2 H ARG 2 13.444 5.446 -9.479 7 HA ARG 2 HA ARG 2 10.750 4.388 -9.768 8 1HB ARG 2 1HB ARG 2 12.063 5.399 -12.029 9 2HB ARG 2 2HB ARG 2 12.308 3.671 -12.151 10 1HG ARG 2 1HG ARG 2 9.694 3.646 -11.631 11 2HG ARG 2 2HG ARG 2 9.818 5.281 -12.283 12 1HD ARG 2 1HD ARG 2 9.592 4.303 -14.275 13 2HD ARG 2 2HD ARG 2 11.278 3.886 -14.107 14 HE ARG 2 HE ARG 2 10.703 1.699 -13.461 15 1HH1 ARG 2 1HH1 ARG 2 7.889 3.611 -14.383 16 2HH1 ARG 2 2HH1 ARG 2 6.907 2.225 -14.639 17 1HH2 ARG 2 1HH2 ARG 2 9.355 -0.109 -13.790 18 2HH2 ARG 2 2HH2 ARG 2 7.718 0.123 -14.306 19 H ARG 3 H ARG 3 12.003 3.496 -7.815 20 HA ARG 3 HA ARG 3 13.076 0.870 -8.617 21 1HB ARG 3 1HB ARG 3 14.725 1.162 -6.635 22 2HB ARG 3 2HB ARG 3 15.093 1.921 -8.178 23 1HG ARG 3 1HG ARG 3 14.153 4.051 -7.284 24 2HG ARG 3 2HG ARG 3 13.980 3.255 -5.727 25 1HD ARG 3 1HD ARG 3 16.012 4.453 -5.644 26 2HD ARG 3 2HD ARG 3 16.440 2.753 -5.808 27 HE ARG 3 HE ARG 3 17.446 3.253 -7.785 28 1HH1 ARG 3 1HH1 ARG 3 15.128 5.813 -7.082 29 2HH1 ARG 3 2HH1 ARG 3 15.613 6.753 -8.431 30 1HH2 ARG 3 1HH2 ARG 3 18.052 4.543 -9.570 31 2HH2 ARG 3 2HH2 ARG 3 17.255 6.055 -9.845 32 H CYS 4 H CYS 4 11.153 -0.091 -7.983 33 HA CYS 4 HA CYS 4 10.544 0.115 -5.122 34 1HB CYS 4 1HB CYS 4 8.867 0.552 -7.311 35 2HB CYS 4 2HB CYS 4 8.366 -1.001 -6.671 36 1HB PRO 5 1HB PRO 5 10.299 -4.262 -2.362 37 2HB PRO 5 2HB PRO 5 12.016 -4.452 -2.706 38 1HG PRO 5 1HG PRO 5 11.035 -2.306 -1.452 39 2HG PRO 5 2HG PRO 5 12.441 -2.223 -2.497 40 1HD PRO 5 1HD PRO 5 9.632 -1.412 -3.112 41 2HD PRO 5 2HD PRO 5 11.159 -0.624 -3.521 42 H GLY 6 H GLY 6 9.872 -4.080 -6.702 43 1HA GLY 6 1HA GLY 6 8.512 -6.347 -6.760 44 2HA GLY 6 2HA GLY 6 7.416 -5.364 -5.812 45 H LYS 7 H LYS 7 6.286 -6.220 -7.971 46 HA LYS 7 HA LYS 7 6.774 -4.870 -10.384 47 1HB LYS 7 1HB LYS 7 5.411 -6.906 -10.120 48 2HB LYS 7 2HB LYS 7 4.145 -5.960 -9.398 49 1HG LYS 7 1HG LYS 7 3.671 -4.828 -11.367 50 2HG LYS 7 2HG LYS 7 5.200 -5.288 -12.112 51 1HD LYS 7 1HD LYS 7 3.897 -7.717 -11.513 52 2HD LYS 7 2HD LYS 7 2.627 -6.638 -12.092 53 1HE LYS 7 1HE LYS 7 3.508 -7.822 -13.956 54 2HE LYS 7 2HE LYS 7 4.034 -6.146 -14.087 55 1HZ LYS 7 1HZ LYS 7 5.695 -8.390 -13.048 56 2HZ LYS 7 2HZ LYS 7 5.808 -7.711 -14.593 57 3HZ LYS 7 3HZ LYS 7 6.197 -6.788 -13.233 58 H ASN 8 H ASN 8 5.535 -3.164 -11.416 59 HA ASN 8 HA ASN 8 4.613 -1.132 -9.497 60 1HB ASN 8 1HB ASN 8 5.915 -0.779 -12.186 61 2HB ASN 8 2HB ASN 8 5.335 0.534 -11.163 62 2HD2 ASN 8 2HD2 ASN 8 7.657 -2.109 -11.371 63 1HD2 ASN 8 1HD2 ASN 8 8.790 -1.417 -10.266 64 H ALA 9 H ALA 9 3.617 -3.040 -12.141 65 HA ALA 9 HA ALA 9 1.042 -1.665 -12.149 66 1HB ALA 9 1HB ALA 9 2.582 -2.257 -14.675 67 2HB ALA 9 2HB ALA 9 0.939 -1.622 -14.572 68 3HB ALA 9 3HB ALA 9 2.296 -0.650 -14.003 69 H TRP 10 H TRP 10 -0.501 -3.157 -11.889 70 HA TRP 10 HA TRP 10 0.163 -5.952 -12.598 71 1HB TRP 10 1HB TRP 10 -1.660 -4.783 -10.516 72 2HB TRP 10 2HB TRP 10 -1.685 -6.474 -10.986 73 HD1 TRP 10 HD1 TRP 10 0.215 -8.044 -10.074 74 HE1 TRP 10 HE1 TRP 10 2.141 -7.694 -8.400 75 HE3 TRP 10 HE3 TRP 10 0.019 -2.970 -9.646 76 HZ2 TRP 10 HZ2 TRP 10 3.402 -5.534 -7.081 77 HZ3 TRP 10 HZ3 TRP 10 1.599 -1.821 -8.164 78 HH2 TRP 10 HH2 TRP 10 3.258 -3.086 -6.897 79 1HB PRO 11 1HB PRO 11 -1.973 -6.211 -17.680 80 2HB PRO 11 2HB PRO 11 -1.566 -4.513 -17.425 81 1HG PRO 11 1HG PRO 11 0.539 -5.449 -17.217 82 2HG PRO 11 2HG PRO 11 -0.099 -6.957 -16.537 83 1HD PRO 11 1HD PRO 11 0.647 -5.961 -14.603 84 2HD PRO 11 2HD PRO 11 0.355 -4.318 -15.219 85 H GLU 12 H GLU 12 -1.628 -7.727 -14.875 86 HA GLU 12 HA GLU 12 -3.728 -9.341 -15.844 87 1HB GLU 12 1HB GLU 12 -2.784 -11.094 -14.406 88 2HB GLU 12 2HB GLU 12 -1.560 -10.270 -15.360 89 1HG GLU 12 1HG GLU 12 -1.975 -9.076 -12.706 90 2HG GLU 12 2HG GLU 12 -1.460 -10.757 -12.672 91 H LEU 13 H LEU 13 -3.669 -7.195 -13.187 92 HA LEU 13 HA LEU 13 -5.574 -8.650 -11.596 93 1HB LEU 13 1HB LEU 13 -4.364 -5.905 -11.409 94 2HB LEU 13 2HB LEU 13 -5.688 -6.383 -10.372 95 HG LEU 13 HG LEU 13 -2.949 -7.642 -10.463 96 1HD1 LEU 13 1HD1 LEU 13 -3.160 -5.437 -9.310 97 2HD1 LEU 13 2HD1 LEU 13 -4.308 -6.163 -8.236 98 3HD1 LEU 13 3HD1 LEU 13 -2.680 -6.753 -8.276 99 1HD2 LEU 13 1HD2 LEU 13 -5.507 -8.670 -9.490 100 2HD2 LEU 13 2HD2 LEU 13 -3.975 -9.488 -9.783 101 3HD2 LEU 13 3HD2 LEU 13 -4.254 -8.640 -8.290 102 H VAL 14 H VAL 14 -5.637 -6.437 -14.217 103 HA VAL 14 HA VAL 14 -8.062 -5.141 -13.850 104 HB VAL 14 HB VAL 14 -6.979 -6.142 -16.498 105 1HG1 VAL 14 1HG1 VAL 14 -8.873 -3.892 -15.810 106 2HG1 VAL 14 2HG1 VAL 14 -8.178 -4.173 -17.409 107 3HG1 VAL 14 3HG1 VAL 14 -9.254 -5.368 -16.696 108 1HG2 VAL 14 1HG2 VAL 14 -5.359 -4.767 -15.037 109 2HG2 VAL 14 2HG2 VAL 14 -5.676 -4.196 -16.660 110 3HG2 VAL 14 3HG2 VAL 14 -6.476 -3.441 -15.288 111 H GLY 15 H GLY 15 -10.007 -6.022 -13.446 112 1HA GLY 15 1HA GLY 15 -11.882 -7.220 -14.358 113 2HA GLY 15 2HA GLY 15 -10.792 -8.462 -14.943 114 H LYS 16 H LYS 16 -9.421 -7.915 -12.113 115 HA LYS 16 HA LYS 16 -10.951 -10.037 -10.791 116 1HB LYS 16 1HB LYS 16 -8.234 -8.826 -10.323 117 2HB LYS 16 2HB LYS 16 -8.970 -9.908 -9.162 118 1HG LYS 16 1HG LYS 16 -8.844 -10.833 -11.990 119 2HG LYS 16 2HG LYS 16 -7.328 -10.709 -11.105 120 1HD LYS 16 1HD LYS 16 -7.730 -12.587 -10.011 121 2HD LYS 16 2HD LYS 16 -9.270 -11.983 -9.404 122 1HE LYS 16 1HE LYS 16 -10.390 -12.720 -11.410 123 2HE LYS 16 2HE LYS 16 -8.859 -13.232 -12.121 124 1HZ LYS 16 1HZ LYS 16 -10.092 -14.382 -9.669 125 2HZ LYS 16 2HZ LYS 16 -10.073 -15.101 -11.202 126 3HZ LYS 16 3HZ LYS 16 -8.625 -14.869 -10.363 127 H SER 17 H SER 17 -11.415 -9.863 -8.482 128 HA SER 17 HA SER 17 -12.890 -7.547 -7.882 129 1HB SER 17 1HB SER 17 -13.396 -8.547 -5.830 130 2HB SER 17 2HB SER 17 -13.075 -9.931 -6.875 131 HG SER 17 HG SER 17 -12.027 -9.901 -4.735 132 H GLY 18 H GLY 18 -12.476 -5.736 -6.644 133 1HA GLY 18 1HA GLY 18 -9.981 -4.601 -6.578 134 2HA GLY 18 2HA GLY 18 -11.264 -4.175 -5.470 135 H ASN 19 H ASN 19 -11.371 -6.838 -4.258 136 HA ASN 19 HA ASN 19 -9.368 -6.446 -2.261 137 1HB ASN 19 1HB ASN 19 -11.580 -8.404 -2.756 138 2HB ASN 19 2HB ASN 19 -10.300 -8.893 -1.654 139 2HD2 ASN 19 2HD2 ASN 19 -12.981 -6.750 -2.157 140 1HD2 ASN 19 1HD2 ASN 19 -13.028 -6.139 -0.541 141 H MET 20 H MET 20 -9.869 -8.826 -4.842 142 HA MET 20 HA MET 20 -7.593 -10.396 -4.259 143 1HB MET 20 1HB MET 20 -9.682 -10.485 -6.110 144 2HB MET 20 2HB MET 20 -8.275 -10.270 -7.118 145 1HG MET 20 1HG MET 20 -8.523 -12.397 -4.999 146 2HG MET 20 2HG MET 20 -8.993 -12.617 -6.680 147 1HE MET 20 1HE MET 20 -6.631 -13.360 -4.244 148 2HE MET 20 2HE MET 20 -5.009 -13.371 -4.939 149 3HE MET 20 3HE MET 20 -5.714 -11.860 -4.365 150 H ALA 21 H ALA 21 -8.097 -7.531 -6.258 151 HA ALA 21 HA ALA 21 -5.579 -7.470 -7.465 152 1HB ALA 21 1HB ALA 21 -7.531 -5.282 -6.860 153 2HB ALA 21 2HB ALA 21 -6.072 -5.032 -7.822 154 3HB ALA 21 3HB ALA 21 -7.316 -6.151 -8.379 155 H ALA 22 H ALA 22 -6.781 -5.570 -4.716 156 HA ALA 22 HA ALA 22 -4.405 -4.395 -3.985 157 1HB ALA 22 1HB ALA 22 -6.602 -5.303 -2.134 158 2HB ALA 22 2HB ALA 22 -6.567 -3.779 -3.021 159 3HB ALA 22 3HB ALA 22 -5.377 -4.089 -1.757 160 H ALA 23 H ALA 23 -5.626 -7.590 -3.148 161 HA ALA 23 HA ALA 23 -3.644 -8.256 -1.250 162 1HB ALA 23 1HB ALA 23 -5.211 -10.085 -3.074 163 2HB ALA 23 2HB ALA 23 -4.340 -10.565 -1.614 164 3HB ALA 23 3HB ALA 23 -5.736 -9.498 -1.497 165 H THR 24 H THR 24 -3.853 -8.797 -4.759 166 HA THR 24 HA THR 24 -1.475 -10.259 -5.048 167 HB THR 24 HB THR 24 -2.630 -8.362 -7.088 168 HG1 THR 24 HG1 THR 24 -3.447 -11.023 -6.469 169 1HG2 THR 24 1HG2 THR 24 -1.147 -10.959 -7.399 170 2HG2 THR 24 2HG2 THR 24 -1.877 -10.023 -8.701 171 3HG2 THR 24 3HG2 THR 24 -0.526 -9.351 -7.785 172 H VAL 25 H VAL 25 -2.067 -6.763 -5.100 173 HA VAL 25 HA VAL 25 0.576 -6.048 -5.869 174 HB VAL 25 HB VAL 25 -1.375 -4.350 -4.293 175 1HG1 VAL 25 1HG1 VAL 25 1.286 -3.877 -5.326 176 2HG1 VAL 25 2HG1 VAL 25 0.117 -2.799 -6.080 177 3HG1 VAL 25 3HG1 VAL 25 0.257 -2.855 -4.335 178 1HG2 VAL 25 1HG2 VAL 25 -1.112 -4.752 -7.270 179 2HG2 VAL 25 2HG2 VAL 25 -2.492 -5.144 -6.271 180 3HG2 VAL 25 3HG2 VAL 25 -2.057 -3.470 -6.518 181 H GLU 26 H GLU 26 -1.031 -6.097 -2.679 182 HA GLU 26 HA GLU 26 1.306 -5.327 -1.240 183 1HB GLU 26 1HB GLU 26 0.093 -5.798 0.731 184 2HB GLU 26 2HB GLU 26 -0.978 -6.925 -0.088 185 1HG GLU 26 1HG GLU 26 -1.243 -4.377 -1.377 186 2HG GLU 26 2HG GLU 26 -2.427 -5.351 -0.512 187 H ARG 27 H ARG 27 0.130 -8.394 -2.427 188 HA ARG 27 HA ARG 27 1.882 -9.967 -0.739 189 1HB ARG 27 1HB ARG 27 -0.007 -10.567 -3.001 190 2HB ARG 27 2HB ARG 27 1.153 -11.772 -2.485 191 1HG ARG 27 1HG ARG 27 0.095 -11.079 -0.086 192 2HG ARG 27 2HG ARG 27 -1.287 -10.814 -1.141 193 1HD ARG 27 1HD ARG 27 0.324 -13.332 -1.268 194 2HD ARG 27 2HD ARG 27 -0.958 -13.121 -0.088 195 HE ARG 27 HE ARG 27 -2.380 -12.566 -2.170 196 1HH1 ARG 27 1HH1 ARG 27 0.142 -15.025 -2.006 197 2HH1 ARG 27 2HH1 ARG 27 -0.580 -15.990 -3.230 198 1HH2 ARG 27 1HH2 ARG 27 -3.305 -13.883 -3.774 199 2HH2 ARG 27 2HH2 ARG 27 -2.521 -15.352 -4.245 200 H GLU 28 H GLU 28 1.690 -9.338 -4.251 201 HA GLU 28 HA GLU 28 4.196 -10.521 -4.848 202 1HB GLU 28 1HB GLU 28 2.420 -8.573 -6.313 203 2HB GLU 28 2HB GLU 28 3.988 -9.018 -6.952 204 1HG GLU 28 1HG GLU 28 3.067 -11.473 -6.551 205 2HG GLU 28 2HG GLU 28 1.517 -10.640 -6.699 206 H ASN 29 H ASN 29 3.226 -7.241 -3.972 207 HA ASN 29 HA ASN 29 6.089 -6.515 -3.790 208 1HB ASN 29 1HB ASN 29 4.976 -5.391 -5.683 209 2HB ASN 29 2HB ASN 29 3.800 -4.691 -4.575 210 2HD2 ASN 29 2HD2 ASN 29 5.636 -3.303 -6.321 211 1HD2 ASN 29 1HD2 ASN 29 6.660 -2.359 -5.299 212 H ARG 30 H ARG 30 5.916 -7.282 -1.599 213 HA ARG 30 HA ARG 30 4.151 -6.220 0.318 214 1HB ARG 30 1HB ARG 30 6.852 -7.520 0.462 215 2HB ARG 30 2HB ARG 30 6.111 -6.867 1.910 216 1HG ARG 30 1HG ARG 30 4.066 -8.372 0.920 217 2HG ARG 30 2HG ARG 30 5.466 -9.275 0.350 218 1HD ARG 30 1HD ARG 30 4.756 -10.104 2.506 219 2HD ARG 30 2HD ARG 30 6.333 -9.359 2.623 220 HE ARG 30 HE ARG 30 5.425 -7.534 3.781 221 1HH1 ARG 30 1HH1 ARG 30 3.004 -9.998 3.106 222 2HH1 ARG 30 2HH1 ARG 30 1.895 -9.370 4.260 223 1HH2 ARG 30 1HH2 ARG 30 3.943 -6.759 5.330 224 2HH2 ARG 30 2HH2 ARG 30 2.428 -7.570 5.547 225 H ASN 31 H ASN 31 6.503 -4.514 -1.391 226 HA ASN 31 HA ASN 31 7.220 -2.766 0.809 227 1HB ASN 31 1HB ASN 31 8.849 -3.397 -0.950 228 2HB ASN 31 2HB ASN 31 7.891 -2.516 -2.130 229 2HD2 ASN 31 2HD2 ASN 31 7.873 -0.264 -2.093 230 1HD2 ASN 31 1HD2 ASN 31 9.017 0.634 -1.160 231 H VAL 32 H VAL 32 4.511 -3.043 -1.099 232 HA VAL 32 HA VAL 32 3.867 -0.221 -0.670 233 HB VAL 32 HB VAL 32 2.976 0.067 -2.862 234 1HG1 VAL 32 1HG1 VAL 32 5.395 0.460 -2.629 235 2HG1 VAL 32 2HG1 VAL 32 5.703 -1.217 -3.064 236 3HG1 VAL 32 3HG1 VAL 32 5.005 -0.136 -4.245 237 1HG2 VAL 32 1HG2 VAL 32 3.543 -2.854 -3.220 238 2HG2 VAL 32 2HG2 VAL 32 2.024 -1.997 -3.431 239 3HG2 VAL 32 3HG2 VAL 32 3.324 -1.786 -4.601 240 H HIS 33 H HIS 33 1.475 0.170 -1.108 241 HA HIS 33 HA HIS 33 -0.119 -2.190 -0.465 242 1HB HIS 33 1HB HIS 33 -0.851 -1.449 1.546 243 2HB HIS 33 2HB HIS 33 0.589 -0.466 1.521 244 HD1 HIS 33 HD1 HIS 33 -3.095 -0.273 1.454 245 HD2 HIS 33 HD2 HIS 33 0.143 2.279 1.028 246 HE1 HIS 33 HE1 HIS 33 -4.008 2.043 1.740 247 HE2 HIS 33 HE2 HIS 33 -2.045 3.575 1.415 248 H ALA 34 H ALA 34 -2.161 -2.244 -1.291 249 HA ALA 34 HA ALA 34 -2.786 -0.105 -3.202 250 1HB ALA 34 1HB ALA 34 -3.562 -2.983 -3.100 251 2HB ALA 34 2HB ALA 34 -4.267 -1.845 -4.249 252 3HB ALA 34 3HB ALA 34 -2.531 -2.191 -4.285 253 H ILE 35 H ILE 35 -4.720 0.927 -3.222 254 HA ILE 35 HA ILE 35 -6.549 0.375 -0.959 255 HB ILE 35 HB ILE 35 -6.123 3.000 -2.391 256 1HG1 ILE 35 1HG1 ILE 35 -5.360 2.829 0.444 257 2HG1 ILE 35 2HG1 ILE 35 -4.390 1.799 -0.590 258 1HG2 ILE 35 1HG2 ILE 35 -7.732 2.244 0.046 259 2HG2 ILE 35 2HG2 ILE 35 -7.408 3.904 -0.453 260 3HG2 ILE 35 3HG2 ILE 35 -8.344 2.841 -1.496 261 1HD1 ILE 35 1HD1 ILE 35 -3.944 3.777 -2.027 262 2HD1 ILE 35 2HD1 ILE 35 -4.738 4.757 -0.796 263 3HD1 ILE 35 3HD1 ILE 35 -3.282 3.858 -0.402 264 H VAL 36 H VAL 36 -8.503 -0.346 -1.515 265 HA VAL 36 HA VAL 36 -9.302 -0.407 -4.281 266 HB VAL 36 HB VAL 36 -10.811 -1.296 -1.828 267 1HG1 VAL 36 1HG1 VAL 36 -11.264 -1.816 -4.766 268 2HG1 VAL 36 2HG1 VAL 36 -12.064 -2.700 -3.469 269 3HG1 VAL 36 3HG1 VAL 36 -12.343 -0.974 -3.652 270 1HG2 VAL 36 1HG2 VAL 36 -9.060 -2.848 -3.732 271 2HG2 VAL 36 2HG2 VAL 36 -8.701 -2.481 -2.045 272 3HG2 VAL 36 3HG2 VAL 36 -10.045 -3.548 -2.445 273 H LEU 37 H LEU 37 -10.430 1.052 -5.298 274 HA LEU 37 HA LEU 37 -12.387 2.724 -3.877 275 1HB LEU 37 1HB LEU 37 -11.446 4.623 -5.397 276 2HB LEU 37 2HB LEU 37 -10.706 4.265 -3.862 277 HG LEU 37 HG LEU 37 -9.135 2.708 -5.354 278 1HD1 LEU 37 1HD1 LEU 37 -10.705 3.911 -7.354 279 2HD1 LEU 37 2HD1 LEU 37 -9.126 4.697 -7.416 280 3HD1 LEU 37 3HD1 LEU 37 -9.239 2.977 -7.490 281 1HD2 LEU 37 1HD2 LEU 37 -8.925 5.679 -5.011 282 2HD2 LEU 37 2HD2 LEU 37 -8.228 4.394 -4.018 283 3HD2 LEU 37 3HD2 LEU 37 -7.658 4.660 -5.673 284 H LYS 38 H LYS 38 -14.064 3.498 -5.236 285 HA LYS 38 HA LYS 38 -14.405 1.874 -7.643 286 1HB LYS 38 1HB LYS 38 -16.281 3.681 -6.147 287 2HB LYS 38 2HB LYS 38 -16.723 2.837 -7.613 288 1HG LYS 38 1HG LYS 38 -15.864 0.733 -6.242 289 2HG LYS 38 2HG LYS 38 -17.516 1.313 -6.171 290 1HD LYS 38 1HD LYS 38 -15.345 2.121 -4.225 291 2HD LYS 38 2HD LYS 38 -16.495 0.823 -3.948 292 1HE LYS 38 1HE LYS 38 -16.893 3.319 -3.116 293 2HE LYS 38 2HE LYS 38 -17.641 3.470 -4.695 294 1HZ LYS 38 1HZ LYS 38 -19.031 1.547 -4.156 295 2HZ LYS 38 2HZ LYS 38 -18.341 1.476 -2.611 296 3HZ LYS 38 3HZ LYS 38 -19.253 2.824 -3.068 297 H GLU 39 H GLU 39 -15.106 2.755 -9.653 298 HA GLU 39 HA GLU 39 -13.546 4.763 -10.708 299 1HB GLU 39 1HB GLU 39 -16.140 3.535 -11.527 300 2HB GLU 39 2HB GLU 39 -15.570 4.943 -12.416 301 1HG GLU 39 1HG GLU 39 -13.651 3.842 -13.182 302 2HG GLU 39 2HG GLU 39 -13.837 2.552 -12.007 303 H GLY 40 H GLY 40 -13.386 6.848 -10.228 304 1HA GLY 40 1HA GLY 40 -14.363 9.023 -10.372 305 2HA GLY 40 2HA GLY 40 -15.886 8.379 -9.790 306 H SER 41 H SER 41 -13.453 6.958 -8.004 307 HA SER 41 HA SER 41 -14.154 8.339 -5.639 308 1HB SER 41 1HB SER 41 -13.385 6.061 -5.493 309 2HB SER 41 2HB SER 41 -11.866 6.475 -6.288 310 HG SER 41 HG SER 41 -12.717 7.036 -3.672 311 H ALA 42 H ALA 42 -12.169 9.091 -4.188 312 HA ALA 42 HA ALA 42 -11.012 11.383 -5.604 313 1HB ALA 42 1HB ALA 42 -10.445 12.212 -3.406 314 2HB ALA 42 2HB ALA 42 -10.960 10.693 -2.661 315 3HB ALA 42 3HB ALA 42 -12.146 11.738 -3.450 316 H MET 43 H MET 43 -9.372 10.479 -6.819 317 HA MET 43 HA MET 43 -7.244 9.064 -5.323 318 1HB MET 43 1HB MET 43 -6.572 8.399 -7.771 319 2HB MET 43 2HB MET 43 -7.833 7.538 -6.900 320 1HG MET 43 1HG MET 43 -9.498 9.015 -8.080 321 2HG MET 43 2HG MET 43 -8.156 9.619 -9.044 322 1HE MET 43 1HE MET 43 -10.995 7.444 -8.906 323 2HE MET 43 2HE MET 43 -10.580 5.908 -9.637 324 3HE MET 43 3HE MET 43 -10.070 6.271 -7.996 325 H THR 44 H THR 44 -5.811 10.556 -4.727 326 HA THR 44 HA THR 44 -5.285 12.942 -6.061 327 HB THR 44 HB THR 44 -2.866 12.381 -4.869 328 HG1 THR 44 HG1 THR 44 -3.509 10.373 -4.155 329 1HG2 THR 44 1HG2 THR 44 -5.383 13.400 -3.583 330 2HG2 THR 44 2HG2 THR 44 -3.789 13.427 -2.818 331 3HG2 THR 44 3HG2 THR 44 -4.069 14.335 -4.308 332 H LYS 45 H LYS 45 -3.540 13.585 -7.388 333 HA LYS 45 HA LYS 45 -2.874 11.576 -9.385 334 1HB LYS 45 1HB LYS 45 -2.636 14.554 -9.171 335 2HB LYS 45 2HB LYS 45 -1.679 13.701 -10.373 336 1HG LYS 45 1HG LYS 45 -3.390 13.381 -11.723 337 2HG LYS 45 2HG LYS 45 -4.464 12.854 -10.425 338 1HD LYS 45 1HD LYS 45 -4.998 15.105 -9.840 339 2HD LYS 45 2HD LYS 45 -3.765 15.748 -10.928 340 1HE LYS 45 1HE LYS 45 -5.522 14.056 -12.439 341 2HE LYS 45 2HE LYS 45 -6.489 15.165 -11.470 342 1HZ LYS 45 1HZ LYS 45 -5.231 17.015 -12.388 343 2HZ LYS 45 2HZ LYS 45 -4.301 15.949 -13.320 344 3HZ LYS 45 3HZ LYS 45 -5.962 16.108 -13.612 345 H ASP 46 H ASP 46 -1.327 13.248 -6.758 346 HA ASP 46 HA ASP 46 1.316 13.152 -7.385 347 1HB ASP 46 1HB ASP 46 -0.192 13.463 -5.022 348 2HB ASP 46 2HB ASP 46 0.925 12.159 -4.658 349 H PHE 47 H PHE 47 2.979 11.673 -7.346 350 HA PHE 47 HA PHE 47 2.164 8.902 -7.739 351 1HB PHE 47 1HB PHE 47 3.701 9.850 -9.333 352 2HB PHE 47 2HB PHE 47 4.812 10.317 -8.052 353 HD1 PHE 47 HD1 PHE 47 6.326 8.740 -7.078 354 HD2 PHE 47 HD2 PHE 47 3.421 7.474 -9.928 355 HE1 PHE 47 HE1 PHE 47 7.461 6.570 -7.271 356 HE2 PHE 47 HE2 PHE 47 4.554 5.317 -10.125 357 HZ PHE 47 HZ PHE 47 6.575 4.848 -8.790 358 H ARG 48 H ARG 48 2.531 7.244 -6.377 359 HA ARG 48 HA ARG 48 4.425 7.518 -4.161 360 1HB ARG 48 1HB ARG 48 1.471 7.072 -3.783 361 2HB ARG 48 2HB ARG 48 2.658 6.699 -2.542 362 1HG ARG 48 1HG ARG 48 3.336 9.068 -2.537 363 2HG ARG 48 2HG ARG 48 2.081 9.411 -3.727 364 1HD ARG 48 1HD ARG 48 0.391 8.645 -2.181 365 2HD ARG 48 2HD ARG 48 1.319 9.964 -1.483 366 HE ARG 48 HE ARG 48 2.598 7.779 -0.546 367 1HH1 ARG 48 1HH1 ARG 48 -0.788 8.734 -0.530 368 2HH1 ARG 48 2HH1 ARG 48 -1.128 7.876 0.922 369 1HH2 ARG 48 1HH2 ARG 48 2.115 6.665 1.374 370 2HH2 ARG 48 2HH2 ARG 48 0.504 6.704 2.011 371 H CYS 49 H CYS 49 5.627 5.753 -4.345 372 HA CYS 49 HA CYS 49 4.926 3.453 -5.745 373 1HB CYS 49 1HB CYS 49 7.225 4.412 -4.487 374 2HB CYS 49 2HB CYS 49 6.888 2.906 -3.655 375 H ASP 50 H ASP 50 4.727 4.149 -2.299 376 HA ASP 50 HA ASP 50 3.828 1.518 -1.629 377 1HB ASP 50 1HB ASP 50 5.117 2.868 -0.057 378 2HB ASP 50 2HB ASP 50 3.565 2.381 0.620 379 H ARG 51 H ARG 51 2.232 3.867 -3.283 380 HA ARG 51 HA ARG 51 -0.339 3.069 -2.112 381 1HB ARG 51 1HB ARG 51 0.418 5.492 -1.728 382 2HB ARG 51 2HB ARG 51 0.135 5.718 -3.448 383 1HG ARG 51 1HG ARG 51 -2.217 4.724 -2.929 384 2HG ARG 51 2HG ARG 51 -1.810 5.151 -1.264 385 1HD ARG 51 1HD ARG 51 -1.310 7.444 -2.083 386 2HD ARG 51 2HD ARG 51 -2.993 6.984 -2.154 387 HE ARG 51 HE ARG 51 -2.286 6.379 -4.619 388 1HH1 ARG 51 1HH1 ARG 51 -1.453 9.246 -2.743 389 2HH1 ARG 51 2HH1 ARG 51 -1.236 10.216 -4.145 390 1HH2 ARG 51 1HH2 ARG 51 -2.096 7.742 -6.427 391 2HH2 ARG 51 2HH2 ARG 51 -1.666 9.395 -6.228 392 H VAL 52 H VAL 52 -1.347 1.775 -3.462 393 HA VAL 52 HA VAL 52 -1.178 2.341 -6.367 394 HB VAL 52 HB VAL 52 -1.673 -0.330 -5.029 395 1HG1 VAL 52 1HG1 VAL 52 -1.777 0.612 -7.846 396 2HG1 VAL 52 2HG1 VAL 52 -1.123 -0.994 -7.548 397 3HG1 VAL 52 3HG1 VAL 52 -2.743 -0.584 -7.013 398 1HG2 VAL 52 1HG2 VAL 52 0.792 1.033 -5.522 399 2HG2 VAL 52 2HG2 VAL 52 0.511 -0.589 -4.902 400 3HG2 VAL 52 3HG2 VAL 52 0.682 -0.332 -6.630 401 H TRP 53 H TRP 53 -3.028 3.124 -7.166 402 HA TRP 53 HA TRP 53 -5.479 2.997 -5.652 403 1HB TRP 53 1HB TRP 53 -4.804 4.108 -8.375 404 2HB TRP 53 2HB TRP 53 -6.437 4.151 -7.736 405 HD1 TRP 53 HD1 TRP 53 -4.338 6.651 -8.478 406 HE1 TRP 53 HE1 TRP 53 -4.164 8.538 -6.738 407 HE3 TRP 53 HE3 TRP 53 -6.085 4.150 -4.391 408 HZ2 TRP 53 HZ2 TRP 53 -4.683 8.883 -3.983 409 HZ3 TRP 53 HZ3 TRP 53 -6.241 5.329 -2.258 410 HH2 TRP 53 HH2 TRP 53 -5.532 7.655 -2.046 411 H VAL 54 H VAL 54 -7.175 1.646 -5.919 412 HA VAL 54 HA VAL 54 -7.050 -0.260 -8.192 413 HB VAL 54 HB VAL 54 -7.803 -0.714 -5.311 414 1HG1 VAL 54 1HG1 VAL 54 -8.578 -2.263 -7.730 415 2HG1 VAL 54 2HG1 VAL 54 -8.296 -3.115 -6.214 416 3HG1 VAL 54 3HG1 VAL 54 -9.536 -1.875 -6.307 417 1HG2 VAL 54 1HG2 VAL 54 -5.437 -0.950 -5.870 418 2HG2 VAL 54 2HG2 VAL 54 -6.163 -2.497 -5.432 419 3HG2 VAL 54 3HG2 VAL 54 -5.860 -2.115 -7.127 420 H ILE 55 H ILE 55 -8.384 1.055 -9.461 421 HA ILE 55 HA ILE 55 -10.945 1.925 -8.497 422 HB ILE 55 HB ILE 55 -10.002 1.894 -11.347 423 1HG1 ILE 55 1HG1 ILE 55 -9.833 4.374 -9.755 424 2HG1 ILE 55 2HG1 ILE 55 -8.658 3.178 -9.348 425 1HG2 ILE 55 1HG2 ILE 55 -12.380 2.267 -11.064 426 2HG2 ILE 55 2HG2 ILE 55 -12.070 3.562 -9.914 427 3HG2 ILE 55 3HG2 ILE 55 -11.594 3.734 -11.610 428 1HD1 ILE 55 1HD1 ILE 55 -9.057 4.142 -12.136 429 2HD1 ILE 55 2HD1 ILE 55 -7.906 4.825 -10.990 430 3HD1 ILE 55 3HD1 ILE 55 -7.754 3.142 -11.488 431 H VAL 56 H VAL 56 -12.741 0.772 -8.425 432 HA VAL 56 HA VAL 56 -13.034 -1.499 -10.262 433 HB VAL 56 HB VAL 56 -14.249 -2.694 -8.552 434 1HG1 VAL 56 1HG1 VAL 56 -11.556 -1.697 -7.659 435 2HG1 VAL 56 2HG1 VAL 56 -12.426 -3.002 -6.861 436 3HG1 VAL 56 3HG1 VAL 56 -11.948 -3.170 -8.525 437 1HG2 VAL 56 1HG2 VAL 56 -13.814 -0.252 -6.866 438 2HG2 VAL 56 2HG2 VAL 56 -15.342 -1.000 -7.337 439 3HG2 VAL 56 3HG2 VAL 56 -14.280 -1.817 -6.206 440 H ASN 57 H ASN 57 -15.296 -2.157 -10.634 441 HA ASN 57 HA ASN 57 -16.904 0.230 -11.159 442 1HB ASN 57 1HB ASN 57 -18.250 -1.221 -12.573 443 2HB ASN 57 2HB ASN 57 -16.549 -1.436 -12.935 444 2HD2 ASN 57 2HD2 ASN 57 -17.844 -3.385 -13.892 445 1HD2 ASN 57 1HD2 ASN 57 -17.824 -4.793 -12.890 446 H ASP 58 H ASP 58 -19.458 -0.734 -11.106 447 HA ASP 58 HA ASP 58 -20.163 -0.441 -8.412 448 1HB ASP 58 1HB ASP 58 -22.453 -1.053 -9.163 449 2HB ASP 58 2HB ASP 58 -21.693 0.164 -10.182 450 H HIS 59 H HIS 59 -19.149 -3.250 -10.129 451 HA HIS 59 HA HIS 59 -20.365 -5.063 -8.192 452 1HB HIS 59 1HB HIS 59 -19.141 -5.361 -10.905 453 2HB HIS 59 2HB HIS 59 -19.099 -6.746 -9.823 454 HD1 HIS 59 HD1 HIS 59 -21.243 -5.042 -12.191 455 HD2 HIS 59 HD2 HIS 59 -21.754 -7.578 -8.941 456 HE1 HIS 59 HE1 HIS 59 -23.601 -5.899 -12.372 457 HE2 HIS 59 HE2 HIS 59 -23.909 -7.383 -10.359 458 H GLY 60 H GLY 60 -17.767 -3.180 -7.990 459 1HA GLY 60 1HA GLY 60 -15.920 -3.297 -6.668 460 2HA GLY 60 2HA GLY 60 -16.452 -4.876 -6.125 461 H VAL 61 H VAL 61 -16.066 -4.318 -9.533 462 HA VAL 61 HA VAL 61 -13.783 -6.169 -9.558 463 HB VAL 61 HB VAL 61 -15.497 -5.199 -11.863 464 1HG1 VAL 61 1HG1 VAL 61 -13.440 -7.395 -11.640 465 2HG1 VAL 61 2HG1 VAL 61 -14.521 -7.174 -13.019 466 3HG1 VAL 61 3HG1 VAL 61 -13.337 -5.934 -12.623 467 1HG2 VAL 61 1HG2 VAL 61 -15.661 -7.760 -10.271 468 2HG2 VAL 61 2HG2 VAL 61 -16.855 -6.463 -10.296 469 3HG2 VAL 61 3HG2 VAL 61 -16.563 -7.414 -11.748 470 H VAL 62 H VAL 62 -11.789 -5.556 -10.334 471 HA VAL 62 HA VAL 62 -11.265 -2.745 -10.498 472 HB VAL 62 HB VAL 62 -9.406 -5.058 -11.058 473 1HG1 VAL 62 1HG1 VAL 62 -8.895 -2.101 -10.698 474 2HG1 VAL 62 2HG1 VAL 62 -7.660 -3.338 -10.565 475 3HG1 VAL 62 3HG1 VAL 62 -8.500 -3.127 -12.077 476 1HG2 VAL 62 1HG2 VAL 62 -9.927 -3.461 -8.573 477 2HG2 VAL 62 2HG2 VAL 62 -10.181 -5.175 -8.776 478 3HG2 VAL 62 3HG2 VAL 62 -8.562 -4.515 -8.776 479 H THR 63 H THR 63 -11.578 -1.539 -12.251 480 HA THR 63 HA THR 63 -11.666 -2.809 -14.900 481 HB THR 63 HB THR 63 -12.690 -0.742 -15.656 482 HG1 THR 63 HG1 THR 63 -12.400 0.220 -12.989 483 1HG2 THR 63 1HG2 THR 63 -14.005 -2.512 -14.194 484 2HG2 THR 63 2HG2 THR 63 -14.101 -1.144 -13.082 485 3HG2 THR 63 3HG2 THR 63 -14.732 -0.998 -14.721 486 H SER 64 H SER 64 -9.742 -0.569 -13.007 487 HA SER 64 HA SER 64 -8.108 0.061 -15.379 488 1HB SER 64 1HB SER 64 -7.183 1.867 -14.082 489 2HB SER 64 2HB SER 64 -8.017 1.311 -12.628 490 HG SER 64 HG SER 64 -9.977 1.833 -13.571 491 H VAL 65 H VAL 65 -5.904 -0.229 -15.378 492 HA VAL 65 HA VAL 65 -4.927 -2.582 -14.176 493 HB VAL 65 HB VAL 65 -3.269 -0.363 -15.347 494 1HG1 VAL 65 1HG1 VAL 65 -2.721 -3.083 -14.409 495 2HG1 VAL 65 2HG1 VAL 65 -2.045 -2.722 -15.999 496 3HG1 VAL 65 3HG1 VAL 65 -1.658 -1.709 -14.618 497 1HG2 VAL 65 1HG2 VAL 65 -5.236 -2.032 -16.636 498 2HG2 VAL 65 2HG2 VAL 65 -4.240 -0.746 -17.287 499 3HG2 VAL 65 3HG2 VAL 65 -3.631 -2.390 -17.261 500 1HB PRO 66 1HB PRO 66 -4.320 -2.290 -8.694 501 2HB PRO 66 2HB PRO 66 -3.094 -3.283 -9.474 502 1HG PRO 66 1HG PRO 66 -4.942 -4.452 -10.118 503 2HG PRO 66 2HG PRO 66 -5.986 -3.063 -10.019 504 1HD PRO 66 1HD PRO 66 -4.228 -3.911 -12.249 505 2HD PRO 66 2HD PRO 66 -5.802 -3.147 -12.306 506 H HIS 67 H HIS 67 -2.377 0.698 -10.740 507 HA HIS 67 HA HIS 67 0.286 -0.563 -10.667 508 1HB HIS 67 1HB HIS 67 -0.217 0.208 -12.939 509 2HB HIS 67 2HB HIS 67 1.088 1.147 -12.228 510 HD1 HIS 67 HD1 HIS 67 0.116 2.699 -14.351 511 HD2 HIS 67 HD2 HIS 67 -2.071 2.595 -10.826 512 HE1 HIS 67 HE1 HIS 67 -1.375 4.723 -14.411 513 HE2 HIS 67 HE2 HIS 67 -2.739 4.585 -12.298 514 H ILE 68 H ILE 68 1.977 0.713 -9.853 515 HA ILE 68 HA ILE 68 1.467 1.932 -7.416 516 HB ILE 68 HB ILE 68 3.778 1.489 -9.178 517 1HG1 ILE 68 1HG1 ILE 68 4.104 1.704 -6.258 518 2HG1 ILE 68 2HG1 ILE 68 2.917 0.536 -6.772 519 1HG2 ILE 68 1HG2 ILE 68 3.761 3.984 -7.504 520 2HG2 ILE 68 2HG2 ILE 68 5.242 3.117 -7.903 521 3HG2 ILE 68 3HG2 ILE 68 4.229 3.715 -9.181 522 1HD1 ILE 68 1HD1 ILE 68 5.462 0.401 -8.204 523 2HD1 ILE 68 2HD1 ILE 68 5.527 0.032 -6.492 524 3HD1 ILE 68 3HD1 ILE 68 4.444 -0.870 -7.528 525 H THR 69 H THR 69 0.438 3.773 -7.023 526 HA THR 69 HA THR 69 1.236 6.240 -8.283 527 HB THR 69 HB THR 69 -1.450 5.006 -8.902 528 HG1 THR 69 HG1 THR 69 -0.088 4.567 -10.520 529 1HG2 THR 69 1HG2 THR 69 -0.679 7.906 -9.003 530 2HG2 THR 69 2HG2 THR 69 -1.865 7.217 -10.116 531 3HG2 THR 69 3HG2 THR 69 -2.135 7.135 -8.388 No H/Q in entry = 531 Start of MODEL 13 1 H SER 1 H SER 1 14.033 9.395 -5.133 2 HA SER 1 HA SER 1 14.942 9.903 -7.278 3 1HB SER 1 1HB SER 1 16.935 9.989 -5.846 4 2HB SER 1 2HB SER 1 17.278 8.282 -6.147 5 HG SER 1 HG SER 1 17.502 8.771 -8.366 6 H ARG 2 H ARG 2 13.109 8.341 -8.023 7 HA ARG 2 HA ARG 2 12.173 6.860 -9.454 8 1HB ARG 2 1HB ARG 2 14.687 7.706 -10.836 9 2HB ARG 2 2HB ARG 2 13.866 6.310 -11.481 10 1HG ARG 2 1HG ARG 2 11.851 8.233 -11.077 11 2HG ARG 2 2HG ARG 2 13.242 9.107 -11.711 12 1HD ARG 2 1HD ARG 2 12.667 8.442 -13.722 13 2HD ARG 2 2HD ARG 2 13.095 6.794 -13.303 14 HE ARG 2 HE ARG 2 10.452 7.946 -13.548 15 1HH1 ARG 2 1HH1 ARG 2 12.319 5.271 -12.229 16 2HH1 ARG 2 2HH1 ARG 2 10.961 4.231 -12.131 17 1HH2 ARG 2 1HH2 ARG 2 8.668 6.535 -13.406 18 2HH2 ARG 2 2HH2 ARG 2 8.892 4.925 -12.808 19 H ARG 3 H ARG 3 12.275 5.285 -7.746 20 HA ARG 3 HA ARG 3 13.462 2.840 -8.610 21 1HB ARG 3 1HB ARG 3 14.942 4.466 -6.735 22 2HB ARG 3 2HB ARG 3 14.453 2.981 -5.951 23 1HG ARG 3 1HG ARG 3 15.509 2.452 -8.601 24 2HG ARG 3 2HG ARG 3 16.608 3.471 -7.681 25 1HD ARG 3 1HD ARG 3 15.622 1.328 -5.998 26 2HD ARG 3 2HD ARG 3 16.263 0.698 -7.504 27 HE ARG 3 HE ARG 3 18.356 1.249 -6.838 28 1HH1 ARG 3 1HH1 ARG 3 16.078 3.003 -4.817 29 2HH1 ARG 3 2HH1 ARG 3 17.292 3.619 -3.788 30 1HH2 ARG 3 1HH2 ARG 3 19.953 2.066 -5.422 31 2HH2 ARG 3 2HH2 ARG 3 19.486 3.082 -4.099 32 H CYS 4 H CYS 4 11.626 1.711 -8.422 33 HA CYS 4 HA CYS 4 10.249 1.799 -5.829 34 1HB CYS 4 1HB CYS 4 9.233 2.124 -8.525 35 2HB CYS 4 2HB CYS 4 8.364 0.878 -7.642 36 1HB PRO 5 1HB PRO 5 11.696 -2.845 -3.588 37 2HB PRO 5 2HB PRO 5 9.972 -2.676 -3.257 38 1HG PRO 5 1HG PRO 5 10.646 -0.727 -2.262 39 2HG PRO 5 2HG PRO 5 12.120 -0.640 -3.218 40 1HD PRO 5 1HD PRO 5 10.927 1.015 -4.253 41 2HD PRO 5 2HD PRO 5 9.363 0.247 -3.914 42 H GLY 6 H GLY 6 10.271 -4.595 -5.699 43 1HA GLY 6 1HA GLY 6 8.548 -5.963 -6.295 44 2HA GLY 6 2HA GLY 6 7.510 -4.869 -5.439 45 H LYS 7 H LYS 7 6.380 -6.051 -7.489 46 HA LYS 7 HA LYS 7 6.757 -4.977 -10.041 47 1HB LYS 7 1HB LYS 7 5.415 -6.984 -9.460 48 2HB LYS 7 2HB LYS 7 4.169 -5.946 -8.847 49 1HG LYS 7 1HG LYS 7 3.707 -5.043 -10.979 50 2HG LYS 7 2HG LYS 7 5.163 -5.767 -11.664 51 1HD LYS 7 1HD LYS 7 3.435 -7.788 -10.456 52 2HD LYS 7 2HD LYS 7 2.571 -6.824 -11.652 53 1HE LYS 7 1HE LYS 7 4.314 -7.291 -13.302 54 2HE LYS 7 2HE LYS 7 5.189 -8.250 -12.106 55 1HZ LYS 7 1HZ LYS 7 3.244 -9.739 -11.992 56 2HZ LYS 7 2HZ LYS 7 2.500 -8.838 -13.222 57 3HZ LYS 7 3HZ LYS 7 3.931 -9.679 -13.538 58 H ASN 8 H ASN 8 5.859 -3.228 -11.143 59 HA ASN 8 HA ASN 8 4.917 -1.055 -9.411 60 1HB ASN 8 1HB ASN 8 6.459 -1.224 -11.925 61 2HB ASN 8 2HB ASN 8 5.374 0.154 -11.786 62 2HD2 ASN 8 2HD2 ASN 8 6.100 1.886 -10.742 63 1HD2 ASN 8 1HD2 ASN 8 7.485 1.911 -9.726 64 H ALA 9 H ALA 9 3.807 -3.039 -12.049 65 HA ALA 9 HA ALA 9 1.202 -1.727 -11.855 66 1HB ALA 9 1HB ALA 9 2.601 -2.243 -14.466 67 2HB ALA 9 2HB ALA 9 0.952 -1.640 -14.271 68 3HB ALA 9 3HB ALA 9 2.319 -0.659 -13.744 69 H TRP 10 H TRP 10 -0.417 -3.149 -11.751 70 HA TRP 10 HA TRP 10 0.223 -5.962 -12.407 71 1HB TRP 10 1HB TRP 10 -1.631 -4.773 -10.359 72 2HB TRP 10 2HB TRP 10 -1.639 -6.456 -10.824 73 HD1 TRP 10 HD1 TRP 10 0.264 -8.021 -9.898 74 HE1 TRP 10 HE1 TRP 10 2.112 -7.673 -8.144 75 HE3 TRP 10 HE3 TRP 10 -0.027 -2.966 -9.373 76 HZ2 TRP 10 HZ2 TRP 10 3.277 -5.531 -6.737 77 HZ3 TRP 10 HZ3 TRP 10 1.475 -1.830 -7.816 78 HH2 TRP 10 HH2 TRP 10 3.100 -3.089 -6.501 79 1HB PRO 11 1HB PRO 11 -1.844 -6.122 -17.532 80 2HB PRO 11 2HB PRO 11 -1.431 -4.430 -17.256 81 1HG PRO 11 1HG PRO 11 0.666 -5.365 -17.024 82 2HG PRO 11 2HG PRO 11 0.020 -6.889 -16.386 83 1HD PRO 11 1HD PRO 11 0.729 -5.944 -14.417 84 2HD PRO 11 2HD PRO 11 0.471 -4.285 -15.000 85 H GLU 12 H GLU 12 -1.562 -7.687 -14.760 86 HA GLU 12 HA GLU 12 -3.664 -9.253 -15.788 87 1HB GLU 12 1HB GLU 12 -1.445 -10.127 -15.187 88 2HB GLU 12 2HB GLU 12 -2.760 -11.050 -14.474 89 1HG GLU 12 1HG GLU 12 -2.217 -9.232 -12.484 90 2HG GLU 12 2HG GLU 12 -1.636 -10.888 -12.580 91 H LEU 13 H LEU 13 -3.669 -7.119 -13.125 92 HA LEU 13 HA LEU 13 -5.632 -8.581 -11.605 93 1HB LEU 13 1HB LEU 13 -4.411 -5.849 -11.329 94 2HB LEU 13 2HB LEU 13 -5.711 -6.392 -10.291 95 HG LEU 13 HG LEU 13 -2.961 -7.609 -10.494 96 1HD1 LEU 13 1HD1 LEU 13 -3.443 -5.391 -9.207 97 2HD1 LEU 13 2HD1 LEU 13 -4.134 -6.460 -8.005 98 3HD1 LEU 13 3HD1 LEU 13 -2.451 -6.654 -8.489 99 1HD2 LEU 13 1HD2 LEU 13 -5.439 -8.792 -9.638 100 2HD2 LEU 13 2HD2 LEU 13 -3.825 -9.484 -9.723 101 3HD2 LEU 13 3HD2 LEU 13 -4.361 -8.626 -8.307 102 H VAL 14 H VAL 14 -5.601 -6.298 -14.172 103 HA VAL 14 HA VAL 14 -8.038 -4.999 -13.805 104 HB VAL 14 HB VAL 14 -6.858 -5.867 -16.457 105 1HG1 VAL 14 1HG1 VAL 14 -8.886 -3.767 -15.694 106 2HG1 VAL 14 2HG1 VAL 14 -8.034 -3.764 -17.248 107 3HG1 VAL 14 3HG1 VAL 14 -9.080 -5.123 -16.818 108 1HG2 VAL 14 1HG2 VAL 14 -5.312 -4.538 -14.892 109 2HG2 VAL 14 2HG2 VAL 14 -5.599 -3.906 -16.499 110 3HG2 VAL 14 3HG2 VAL 14 -6.444 -3.209 -15.120 111 H GLY 15 H GLY 15 -9.991 -5.910 -13.492 112 1HA GLY 15 1HA GLY 15 -11.839 -7.049 -14.540 113 2HA GLY 15 2HA GLY 15 -10.732 -8.268 -15.143 114 H LYS 16 H LYS 16 -9.512 -7.807 -12.202 115 HA LYS 16 HA LYS 16 -11.140 -9.965 -11.048 116 1HB LYS 16 1HB LYS 16 -8.321 -9.251 -11.005 117 2HB LYS 16 2HB LYS 16 -8.929 -9.455 -9.374 118 1HG LYS 16 1HG LYS 16 -9.405 -11.493 -11.536 119 2HG LYS 16 2HG LYS 16 -7.940 -11.465 -10.566 120 1HD LYS 16 1HD LYS 16 -8.947 -12.520 -8.917 121 2HD LYS 16 2HD LYS 16 -10.146 -11.254 -8.760 122 1HE LYS 16 1HE LYS 16 -10.819 -12.857 -11.035 123 2HE LYS 16 2HE LYS 16 -10.414 -13.929 -9.700 124 1HZ LYS 16 1HZ LYS 16 -12.371 -11.698 -9.530 125 2HZ LYS 16 2HZ LYS 16 -12.766 -13.326 -9.782 126 3HZ LYS 16 3HZ LYS 16 -12.034 -12.850 -8.326 127 H SER 17 H SER 17 -11.607 -9.883 -8.725 128 HA SER 17 HA SER 17 -13.034 -7.590 -8.026 129 1HB SER 17 1HB SER 17 -13.523 -8.651 -6.000 130 2HB SER 17 2HB SER 17 -13.212 -10.005 -7.086 131 HG SER 17 HG SER 17 -12.081 -10.320 -5.172 132 H GLY 18 H GLY 18 -12.614 -5.843 -6.692 133 1HA GLY 18 1HA GLY 18 -10.092 -4.729 -6.611 134 2HA GLY 18 2HA GLY 18 -11.388 -4.309 -5.521 135 H ASN 19 H ASN 19 -11.536 -6.994 -4.356 136 HA ASN 19 HA ASN 19 -9.576 -6.637 -2.320 137 1HB ASN 19 1HB ASN 19 -11.980 -8.127 -2.638 138 2HB ASN 19 2HB ASN 19 -10.725 -9.301 -2.265 139 2HD2 ASN 19 2HD2 ASN 19 -9.494 -9.004 -0.312 140 1HD2 ASN 19 1HD2 ASN 19 -10.207 -8.154 1.011 141 H MET 20 H MET 20 -9.985 -9.034 -4.924 142 HA MET 20 HA MET 20 -7.681 -10.540 -4.283 143 1HB MET 20 1HB MET 20 -9.635 -11.104 -5.878 144 2HB MET 20 2HB MET 20 -8.744 -10.211 -7.099 145 1HG MET 20 1HG MET 20 -7.353 -12.368 -5.549 146 2HG MET 20 2HG MET 20 -8.502 -12.812 -6.805 147 1HE MET 20 1HE MET 20 -5.140 -12.639 -6.024 148 2HE MET 20 2HE MET 20 -5.452 -13.835 -7.282 149 3HE MET 20 3HE MET 20 -4.313 -12.524 -7.579 150 H ALA 21 H ALA 21 -8.202 -7.633 -6.190 151 HA ALA 21 HA ALA 21 -5.689 -7.540 -7.425 152 1HB ALA 21 1HB ALA 21 -7.685 -5.408 -6.790 153 2HB ALA 21 2HB ALA 21 -6.195 -5.083 -7.684 154 3HB ALA 21 3HB ALA 21 -7.384 -6.211 -8.329 155 H ALA 22 H ALA 22 -6.888 -5.654 -4.644 156 HA ALA 22 HA ALA 22 -4.481 -4.502 -3.909 157 1HB ALA 22 1HB ALA 22 -5.525 -4.644 -1.500 158 2HB ALA 22 2HB ALA 22 -6.269 -3.655 -2.746 159 3HB ALA 22 3HB ALA 22 -6.937 -5.243 -2.376 160 H ALA 23 H ALA 23 -5.805 -7.656 -3.047 161 HA ALA 23 HA ALA 23 -3.832 -8.459 -1.228 162 1HB ALA 23 1HB ALA 23 -5.953 -9.646 -1.562 163 2HB ALA 23 2HB ALA 23 -4.570 -10.731 -1.701 164 3HB ALA 23 3HB ALA 23 -5.408 -10.177 -3.153 165 H THR 24 H THR 24 -4.049 -8.911 -4.755 166 HA THR 24 HA THR 24 -1.650 -10.333 -5.068 167 HB THR 24 HB THR 24 -2.829 -8.407 -7.076 168 HG1 THR 24 HG1 THR 24 -3.663 -10.980 -6.286 169 1HG2 THR 24 1HG2 THR 24 -1.217 -10.926 -7.395 170 2HG2 THR 24 2HG2 THR 24 -2.041 -10.091 -8.712 171 3HG2 THR 24 3HG2 THR 24 -0.743 -9.281 -7.834 172 H VAL 25 H VAL 25 -2.300 -6.845 -5.065 173 HA VAL 25 HA VAL 25 0.326 -6.057 -5.796 174 HB VAL 25 HB VAL 25 -1.720 -4.508 -4.193 175 1HG1 VAL 25 1HG1 VAL 25 0.986 -3.864 -4.963 176 2HG1 VAL 25 2HG1 VAL 25 -0.146 -2.773 -5.742 177 3HG1 VAL 25 3HG1 VAL 25 -0.160 -2.951 -3.994 178 1HG2 VAL 25 1HG2 VAL 25 -2.588 -5.253 -6.370 179 2HG2 VAL 25 2HG2 VAL 25 -2.379 -3.513 -6.310 180 3HG2 VAL 25 3HG2 VAL 25 -1.215 -4.517 -7.160 181 H GLU 26 H GLU 26 -1.269 -6.045 -2.597 182 HA GLU 26 HA GLU 26 1.094 -5.413 -1.180 183 1HB GLU 26 1HB GLU 26 -1.486 -6.707 -0.301 184 2HB GLU 26 2HB GLU 26 -0.217 -6.215 0.818 185 1HG GLU 26 1HG GLU 26 -0.713 -4.053 0.678 186 2HG GLU 26 2HG GLU 26 -1.066 -4.105 -1.050 187 H ARG 27 H ARG 27 -0.062 -8.430 -2.472 188 HA ARG 27 HA ARG 27 1.630 -10.016 -0.721 189 1HB ARG 27 1HB ARG 27 -0.670 -10.644 -1.888 190 2HB ARG 27 2HB ARG 27 0.376 -11.165 -3.188 191 1HG ARG 27 1HG ARG 27 0.471 -13.092 -2.095 192 2HG ARG 27 2HG ARG 27 1.572 -12.288 -0.979 193 1HD ARG 27 1HD ARG 27 0.004 -13.203 0.413 194 2HD ARG 27 2HD ARG 27 -0.580 -11.548 0.264 195 HE ARG 27 HE ARG 27 -1.989 -12.699 -1.662 196 1HH1 ARG 27 1HH1 ARG 27 -1.373 -13.829 1.617 197 2HH1 ARG 27 2HH1 ARG 27 -2.843 -14.717 1.693 198 1HH2 ARG 27 1HH2 ARG 27 -3.933 -13.871 -1.512 199 2HH2 ARG 27 2HH2 ARG 27 -4.285 -14.768 -0.072 200 H GLU 28 H GLU 28 1.471 -9.407 -4.254 201 HA GLU 28 HA GLU 28 3.970 -10.653 -4.786 202 1HB GLU 28 1HB GLU 28 2.137 -8.859 -6.327 203 2HB GLU 28 2HB GLU 28 3.780 -9.029 -6.901 204 1HG GLU 28 1HG GLU 28 3.396 -11.538 -6.820 205 2HG GLU 28 2HG GLU 28 1.687 -11.156 -6.612 206 H ASN 29 H ASN 29 3.044 -7.385 -3.889 207 HA ASN 29 HA ASN 29 5.913 -6.689 -3.711 208 1HB ASN 29 1HB ASN 29 4.913 -5.527 -5.601 209 2HB ASN 29 2HB ASN 29 3.626 -4.897 -4.573 210 2HD2 ASN 29 2HD2 ASN 29 5.412 -3.350 -6.154 211 1HD2 ASN 29 1HD2 ASN 29 6.344 -2.382 -5.069 212 H ARG 30 H ARG 30 5.620 -7.539 -1.547 213 HA ARG 30 HA ARG 30 3.866 -6.415 0.340 214 1HB ARG 30 1HB ARG 30 6.018 -8.310 0.322 215 2HB ARG 30 2HB ARG 30 6.293 -7.196 1.646 216 1HG ARG 30 1HG ARG 30 4.586 -7.962 2.849 217 2HG ARG 30 2HG ARG 30 3.525 -8.180 1.467 218 1HD ARG 30 1HD ARG 30 4.797 -10.184 0.849 219 2HD ARG 30 2HD ARG 30 5.770 -10.000 2.302 220 HE ARG 30 HE ARG 30 3.533 -10.160 3.522 221 1HH1 ARG 30 1HH1 ARG 30 4.242 -11.884 0.528 222 2HH1 ARG 30 2HH1 ARG 30 3.130 -13.146 0.877 223 1HH2 ARG 30 1HH2 ARG 30 2.065 -11.851 3.934 224 2HH2 ARG 30 2HH2 ARG 30 1.881 -13.129 2.780 225 H ASN 31 H ASN 31 6.265 -4.769 -1.283 226 HA ASN 31 HA ASN 31 7.068 -3.134 0.978 227 1HB ASN 31 1HB ASN 31 8.736 -3.753 -0.699 228 2HB ASN 31 2HB ASN 31 7.799 -2.954 -1.951 229 2HD2 ASN 31 2HD2 ASN 31 7.706 -0.688 -2.003 230 1HD2 ASN 31 1HD2 ASN 31 8.838 0.271 -1.118 231 H VAL 32 H VAL 32 4.371 -3.246 -0.959 232 HA VAL 32 HA VAL 32 3.822 -0.412 -0.466 233 HB VAL 32 HB VAL 32 2.940 -0.053 -2.668 234 1HG1 VAL 32 1HG1 VAL 32 5.348 0.331 -2.382 235 2HG1 VAL 32 2HG1 VAL 32 5.671 -1.335 -2.870 236 3HG1 VAL 32 3HG1 VAL 32 4.983 -0.209 -4.016 237 1HG2 VAL 32 1HG2 VAL 32 3.444 -2.970 -3.052 238 2HG2 VAL 32 2HG2 VAL 32 1.988 -2.046 -3.356 239 3HG2 VAL 32 3HG2 VAL 32 3.367 -1.891 -4.438 240 H HIS 33 H HIS 33 1.458 0.075 -0.894 241 HA HIS 33 HA HIS 33 -0.240 -2.242 -0.317 242 1HB HIS 33 1HB HIS 33 -0.928 -1.494 1.672 243 2HB HIS 33 2HB HIS 33 0.475 -0.442 1.641 244 HD1 HIS 33 HD1 HIS 33 -3.222 -0.433 1.481 245 HD2 HIS 33 HD2 HIS 33 -0.103 2.278 1.120 246 HE1 HIS 33 HE1 HIS 33 -4.281 1.838 1.620 247 HE2 HIS 33 HE2 HIS 33 -2.369 3.465 1.417 248 H ALA 34 H ALA 34 -2.291 -2.208 -1.188 249 HA ALA 34 HA ALA 34 -2.732 -0.038 -3.129 250 1HB ALA 34 1HB ALA 34 -4.127 -2.672 -3.242 251 2HB ALA 34 2HB ALA 34 -2.477 -2.497 -3.837 252 3HB ALA 34 3HB ALA 34 -3.768 -1.528 -4.531 253 H ILE 35 H ILE 35 -4.538 1.147 -3.146 254 HA ILE 35 HA ILE 35 -6.443 0.739 -0.936 255 HB ILE 35 HB ILE 35 -6.158 3.183 -2.687 256 1HG1 ILE 35 1HG1 ILE 35 -5.049 2.900 0.089 257 2HG1 ILE 35 2HG1 ILE 35 -4.055 2.539 -1.312 258 1HG2 ILE 35 1HG2 ILE 35 -8.315 2.867 -1.469 259 2HG2 ILE 35 2HG2 ILE 35 -7.396 2.846 0.053 260 3HG2 ILE 35 3HG2 ILE 35 -7.403 4.299 -0.970 261 1HD1 ILE 35 1HD1 ILE 35 -5.410 5.169 -0.802 262 2HD1 ILE 35 2HD1 ILE 35 -3.737 4.798 -0.412 263 3HD1 ILE 35 3HD1 ILE 35 -4.277 4.783 -2.085 264 H VAL 36 H VAL 36 -8.145 -0.457 -1.553 265 HA VAL 36 HA VAL 36 -9.084 -0.480 -4.277 266 HB VAL 36 HB VAL 36 -10.320 -1.742 -1.840 267 1HG1 VAL 36 1HG1 VAL 36 -10.741 -2.218 -4.791 268 2HG1 VAL 36 2HG1 VAL 36 -11.362 -3.255 -3.513 269 3HG1 VAL 36 3HG1 VAL 36 -11.914 -1.591 -3.639 270 1HG2 VAL 36 1HG2 VAL 36 -8.358 -2.881 -3.824 271 2HG2 VAL 36 2HG2 VAL 36 -8.059 -2.554 -2.123 272 3HG2 VAL 36 3HG2 VAL 36 -9.205 -3.803 -2.588 273 H LEU 37 H LEU 37 -10.422 0.918 -5.117 274 HA LEU 37 HA LEU 37 -12.626 2.015 -3.539 275 1HB LEU 37 1HB LEU 37 -11.967 4.291 -4.585 276 2HB LEU 37 2HB LEU 37 -11.227 3.762 -3.106 277 HG LEU 37 HG LEU 37 -9.319 2.859 -4.617 278 1HD1 LEU 37 1HD1 LEU 37 -10.792 4.653 -6.528 279 2HD1 LEU 37 2HD1 LEU 37 -9.069 4.304 -6.685 280 3HD1 LEU 37 3HD1 LEU 37 -10.238 3.005 -6.744 281 1HD2 LEU 37 1HD2 LEU 37 -9.878 5.595 -3.680 282 2HD2 LEU 37 2HD2 LEU 37 -8.520 4.513 -3.364 283 3HD2 LEU 37 3HD2 LEU 37 -8.582 5.435 -4.862 284 H LYS 38 H LYS 38 -14.220 3.085 -4.900 285 HA LYS 38 HA LYS 38 -14.398 1.752 -7.486 286 1HB LYS 38 1HB LYS 38 -16.321 1.652 -6.023 287 2HB LYS 38 2HB LYS 38 -16.711 2.505 -7.509 288 1HG LYS 38 1HG LYS 38 -16.354 3.561 -4.734 289 2HG LYS 38 2HG LYS 38 -16.165 4.644 -6.099 290 1HD LYS 38 1HD LYS 38 -18.353 4.948 -6.079 291 2HD LYS 38 2HD LYS 38 -18.535 3.303 -6.683 292 1HE LYS 38 1HE LYS 38 -19.906 3.712 -4.697 293 2HE LYS 38 2HE LYS 38 -18.695 2.463 -4.412 294 1HZ LYS 38 1HZ LYS 38 -18.052 5.248 -3.691 295 2HZ LYS 38 2HZ LYS 38 -19.079 4.352 -2.688 296 3HZ LYS 38 3HZ LYS 38 -17.516 3.796 -3.000 297 H GLU 39 H GLU 39 -15.190 2.904 -9.373 298 HA GLU 39 HA GLU 39 -13.557 4.920 -10.254 299 1HB GLU 39 1HB GLU 39 -15.295 3.430 -11.504 300 2HB GLU 39 2HB GLU 39 -16.399 4.762 -11.218 301 1HG GLU 39 1HG GLU 39 -15.655 5.581 -13.135 302 2HG GLU 39 2HG GLU 39 -14.214 6.069 -12.247 303 H GLY 40 H GLY 40 -13.309 7.021 -9.792 304 1HA GLY 40 1HA GLY 40 -14.175 9.215 -9.616 305 2HA GLY 40 2HA GLY 40 -15.682 8.585 -8.981 306 H SER 41 H SER 41 -13.463 6.839 -7.358 307 HA SER 41 HA SER 41 -13.825 8.267 -4.940 308 1HB SER 41 1HB SER 41 -13.501 5.841 -4.980 309 2HB SER 41 2HB SER 41 -11.880 6.066 -5.626 310 HG SER 41 HG SER 41 -12.854 6.719 -3.058 311 H ALA 42 H ALA 42 -11.406 8.239 -3.642 312 HA ALA 42 HA ALA 42 -10.226 10.668 -4.559 313 1HB ALA 42 1HB ALA 42 -8.713 10.390 -2.644 314 2HB ALA 42 2HB ALA 42 -9.358 8.763 -2.381 315 3HB ALA 42 3HB ALA 42 -10.406 10.170 -2.193 316 H MET 43 H MET 43 -9.297 10.378 -6.563 317 HA MET 43 HA MET 43 -7.001 8.539 -6.636 318 1HB MET 43 1HB MET 43 -8.985 7.882 -8.050 319 2HB MET 43 2HB MET 43 -8.649 9.289 -9.046 320 1HG MET 43 1HG MET 43 -6.519 7.272 -8.462 321 2HG MET 43 2HG MET 43 -7.723 6.964 -9.689 322 1HE MET 43 1HE MET 43 -7.134 7.201 -11.942 323 2HE MET 43 2HE MET 43 -5.761 8.108 -12.579 324 3HE MET 43 3HE MET 43 -5.491 6.771 -11.462 325 H THR 44 H THR 44 -5.515 10.021 -6.055 326 HA THR 44 HA THR 44 -5.295 12.542 -7.434 327 HB THR 44 HB THR 44 -3.492 13.022 -5.986 328 HG1 THR 44 HG1 THR 44 -3.401 10.263 -5.395 329 1HG2 THR 44 1HG2 THR 44 -5.700 12.843 -4.826 330 2HG2 THR 44 2HG2 THR 44 -5.216 11.228 -4.304 331 3HG2 THR 44 3HG2 THR 44 -4.288 12.635 -3.791 332 H LYS 45 H LYS 45 -3.533 13.157 -8.736 333 HA LYS 45 HA LYS 45 -2.613 11.055 -10.506 334 1HB LYS 45 1HB LYS 45 -2.491 14.044 -10.453 335 2HB LYS 45 2HB LYS 45 -1.350 13.182 -11.475 336 1HG LYS 45 1HG LYS 45 -3.068 12.199 -12.756 337 2HG LYS 45 2HG LYS 45 -4.322 12.737 -11.636 338 1HD LYS 45 1HD LYS 45 -2.525 14.706 -13.057 339 2HD LYS 45 2HD LYS 45 -3.961 14.041 -13.830 340 1HE LYS 45 1HE LYS 45 -5.328 15.353 -12.681 341 2HE LYS 45 2HE LYS 45 -4.559 14.974 -11.141 342 1HZ LYS 45 1HZ LYS 45 -2.842 16.616 -11.657 343 2HZ LYS 45 2HZ LYS 45 -3.630 17.000 -13.108 344 3HZ LYS 45 3HZ LYS 45 -4.385 17.310 -11.628 345 H ASP 46 H ASP 46 -1.368 12.856 -7.819 346 HA ASP 46 HA ASP 46 1.336 12.839 -8.169 347 1HB ASP 46 1HB ASP 46 -0.485 12.743 -5.851 348 2HB ASP 46 2HB ASP 46 1.100 12.066 -5.509 349 H PHE 47 H PHE 47 3.029 11.400 -7.331 350 HA PHE 47 HA PHE 47 2.336 8.585 -7.898 351 1HB PHE 47 1HB PHE 47 3.988 9.536 -9.380 352 2HB PHE 47 2HB PHE 47 4.980 10.033 -8.013 353 HD1 PHE 47 HD1 PHE 47 6.415 8.484 -6.902 354 HD2 PHE 47 HD2 PHE 47 3.710 7.140 -9.908 355 HE1 PHE 47 HE1 PHE 47 7.531 6.296 -6.930 356 HE2 PHE 47 HE2 PHE 47 4.830 4.965 -9.944 357 HZ PHE 47 HZ PHE 47 6.729 4.540 -8.463 358 H ARG 48 H ARG 48 2.562 7.038 -6.416 359 HA ARG 48 HA ARG 48 4.212 7.467 -4.032 360 1HB ARG 48 1HB ARG 48 1.240 7.006 -3.976 361 2HB ARG 48 2HB ARG 48 2.274 6.651 -2.613 362 1HG ARG 48 1HG ARG 48 3.023 9.127 -2.864 363 2HG ARG 48 2HG ARG 48 1.562 9.290 -3.844 364 1HD ARG 48 1HD ARG 48 1.153 9.907 -1.531 365 2HD ARG 48 2HD ARG 48 0.213 8.517 -1.998 366 HE ARG 48 HE ARG 48 1.691 7.098 -0.761 367 1HH1 ARG 48 1HH1 ARG 48 2.069 10.543 -0.119 368 2HH1 ARG 48 2HH1 ARG 48 2.829 10.273 1.398 369 1HH2 ARG 48 1HH2 ARG 48 2.742 6.791 1.225 370 2HH2 ARG 48 2HH2 ARG 48 3.183 8.164 2.186 371 H CYS 49 H CYS 49 5.489 5.753 -4.085 372 HA CYS 49 HA CYS 49 5.022 3.365 -5.404 373 1HB CYS 49 1HB CYS 49 7.189 4.421 -4.274 374 2HB CYS 49 2HB CYS 49 6.768 3.304 -2.986 375 H ASP 50 H ASP 50 4.595 4.058 -1.948 376 HA ASP 50 HA ASP 50 3.633 1.405 -1.429 377 1HB ASP 50 1HB ASP 50 3.193 2.217 0.850 378 2HB ASP 50 2HB ASP 50 4.832 2.556 0.304 379 H ARG 51 H ARG 51 2.148 3.815 -3.076 380 HA ARG 51 HA ARG 51 -0.484 3.044 -2.036 381 1HB ARG 51 1HB ARG 51 0.307 5.497 -1.724 382 2HB ARG 51 2HB ARG 51 0.019 5.633 -3.451 383 1HG ARG 51 1HG ARG 51 -2.322 4.666 -2.906 384 2HG ARG 51 2HG ARG 51 -1.918 5.141 -1.254 385 1HD ARG 51 1HD ARG 51 -1.467 7.425 -2.079 386 2HD ARG 51 2HD ARG 51 -3.142 6.926 -2.249 387 HE ARG 51 HE ARG 51 -2.197 6.298 -4.662 388 1HH1 ARG 51 1HH1 ARG 51 -1.829 9.234 -2.754 389 2HH1 ARG 51 2HH1 ARG 51 -1.655 10.235 -4.140 390 1HH2 ARG 51 1HH2 ARG 51 -2.064 7.678 -6.465 391 2HH2 ARG 51 2HH2 ARG 51 -1.771 9.359 -6.250 392 H VAL 52 H VAL 52 -1.347 1.657 -3.398 393 HA VAL 52 HA VAL 52 -1.042 2.127 -6.307 394 HB VAL 52 HB VAL 52 -1.651 -0.448 -4.856 395 1HG1 VAL 52 1HG1 VAL 52 -1.479 0.208 -7.777 396 2HG1 VAL 52 2HG1 VAL 52 -1.320 -1.435 -7.164 397 3HG1 VAL 52 3HG1 VAL 52 -2.812 -0.539 -6.908 398 1HG2 VAL 52 1HG2 VAL 52 0.818 0.799 -5.340 399 2HG2 VAL 52 2HG2 VAL 52 0.519 -0.834 -4.780 400 3HG2 VAL 52 3HG2 VAL 52 0.696 -0.513 -6.496 401 H TRP 53 H TRP 53 -2.823 2.901 -7.263 402 HA TRP 53 HA TRP 53 -5.309 3.002 -5.827 403 1HB TRP 53 1HB TRP 53 -4.441 3.908 -8.559 404 2HB TRP 53 2HB TRP 53 -6.135 3.960 -8.104 405 HD1 TRP 53 HD1 TRP 53 -3.999 6.445 -8.760 406 HE1 TRP 53 HE1 TRP 53 -4.077 8.440 -7.136 407 HE3 TRP 53 HE3 TRP 53 -6.186 4.151 -4.762 408 HZ2 TRP 53 HZ2 TRP 53 -4.910 8.947 -4.477 409 HZ3 TRP 53 HZ3 TRP 53 -6.581 5.446 -2.725 410 HH2 TRP 53 HH2 TRP 53 -5.962 7.802 -2.584 411 H VAL 54 H VAL 54 -6.981 1.637 -5.927 412 HA VAL 54 HA VAL 54 -7.011 -0.341 -8.138 413 HB VAL 54 HB VAL 54 -7.607 -0.704 -5.213 414 1HG1 VAL 54 1HG1 VAL 54 -8.296 -2.493 -7.530 415 2HG1 VAL 54 2HG1 VAL 54 -8.207 -3.072 -5.869 416 3HG1 VAL 54 3HG1 VAL 54 -9.399 -1.864 -6.307 417 1HG2 VAL 54 1HG2 VAL 54 -5.255 -0.892 -6.002 418 2HG2 VAL 54 2HG2 VAL 54 -5.906 -2.348 -5.243 419 3HG2 VAL 54 3HG2 VAL 54 -5.770 -2.255 -7.003 420 H ILE 55 H ILE 55 -8.337 1.173 -9.265 421 HA ILE 55 HA ILE 55 -10.882 1.936 -8.178 422 HB ILE 55 HB ILE 55 -9.973 2.169 -11.022 423 1HG1 ILE 55 1HG1 ILE 55 -9.851 4.420 -9.032 424 2HG1 ILE 55 2HG1 ILE 55 -8.526 3.276 -9.103 425 1HG2 ILE 55 1HG2 ILE 55 -12.166 3.497 -9.450 426 2HG2 ILE 55 2HG2 ILE 55 -11.589 4.090 -11.007 427 3HG2 ILE 55 3HG2 ILE 55 -12.316 2.490 -10.893 428 1HD1 ILE 55 1HD1 ILE 55 -8.499 3.804 -11.628 429 2HD1 ILE 55 2HD1 ILE 55 -9.417 5.227 -11.151 430 3HD1 ILE 55 3HD1 ILE 55 -7.816 4.942 -10.476 431 H VAL 56 H VAL 56 -12.729 0.871 -8.283 432 HA VAL 56 HA VAL 56 -12.968 -1.325 -10.216 433 HB VAL 56 HB VAL 56 -14.327 -2.520 -8.552 434 1HG1 VAL 56 1HG1 VAL 56 -11.479 -2.101 -8.414 435 2HG1 VAL 56 2HG1 VAL 56 -12.125 -2.465 -6.821 436 3HG1 VAL 56 3HG1 VAL 56 -12.416 -3.565 -8.155 437 1HG2 VAL 56 1HG2 VAL 56 -15.053 -0.509 -7.275 438 2HG2 VAL 56 2HG2 VAL 56 -14.454 -1.821 -6.267 439 3HG2 VAL 56 3HG2 VAL 56 -13.427 -0.430 -6.594 440 H ASN 57 H ASN 57 -15.152 -1.909 -10.788 441 HA ASN 57 HA ASN 57 -16.768 0.475 -11.229 442 1HB ASN 57 1HB ASN 57 -18.108 -0.992 -12.696 443 2HB ASN 57 2HB ASN 57 -16.397 -1.072 -13.073 444 2HD2 ASN 57 2HD2 ASN 57 -17.038 -3.079 -14.149 445 1HD2 ASN 57 1HD2 ASN 57 -17.162 -4.517 -13.202 446 H ASP 58 H ASP 58 -19.322 -0.384 -11.271 447 HA ASP 58 HA ASP 58 -20.125 -0.216 -8.609 448 1HB ASP 58 1HB ASP 58 -21.585 -1.149 -11.088 449 2HB ASP 58 2HB ASP 58 -22.386 -0.945 -9.530 450 H HIS 59 H HIS 59 -19.127 -2.993 -10.424 451 HA HIS 59 HA HIS 59 -20.392 -4.854 -8.563 452 1HB HIS 59 1HB HIS 59 -18.870 -5.218 -11.145 453 2HB HIS 59 2HB HIS 59 -19.369 -6.569 -10.129 454 HD1 HIS 59 HD1 HIS 59 -20.599 -4.258 -12.697 455 HD2 HIS 59 HD2 HIS 59 -22.216 -6.882 -9.910 456 HE1 HIS 59 HE1 HIS 59 -22.984 -4.614 -13.413 457 HE2 HIS 59 HE2 HIS 59 -23.964 -6.144 -11.666 458 H GLY 60 H GLY 60 -17.823 -3.014 -8.134 459 1HA GLY 60 1HA GLY 60 -15.982 -3.213 -6.824 460 2HA GLY 60 2HA GLY 60 -16.568 -4.794 -6.333 461 H VAL 61 H VAL 61 -16.077 -4.100 -9.713 462 HA VAL 61 HA VAL 61 -13.887 -6.056 -9.774 463 HB VAL 61 HB VAL 61 -15.407 -4.862 -12.091 464 1HG1 VAL 61 1HG1 VAL 61 -13.233 -5.758 -12.698 465 2HG1 VAL 61 2HG1 VAL 61 -13.636 -7.283 -11.905 466 3HG1 VAL 61 3HG1 VAL 61 -14.528 -6.764 -13.336 467 1HG2 VAL 61 1HG2 VAL 61 -16.924 -6.100 -10.592 468 2HG2 VAL 61 2HG2 VAL 61 -16.720 -6.900 -12.147 469 3HG2 VAL 61 3HG2 VAL 61 -15.871 -7.503 -10.725 470 H VAL 62 H VAL 62 -11.839 -5.498 -10.448 471 HA VAL 62 HA VAL 62 -11.197 -2.705 -10.413 472 HB VAL 62 HB VAL 62 -9.375 -5.022 -11.066 473 1HG1 VAL 62 1HG1 VAL 62 -8.792 -2.162 -10.261 474 2HG1 VAL 62 2HG1 VAL 62 -7.614 -3.455 -10.381 475 3HG1 VAL 62 3HG1 VAL 62 -8.447 -2.921 -11.815 476 1HG2 VAL 62 1HG2 VAL 62 -10.461 -5.201 -8.828 477 2HG2 VAL 62 2HG2 VAL 62 -8.745 -4.948 -8.756 478 3HG2 VAL 62 3HG2 VAL 62 -9.823 -3.619 -8.438 479 H THR 63 H THR 63 -11.454 -1.402 -12.072 480 HA THR 63 HA THR 63 -11.442 -2.461 -14.810 481 HB THR 63 HB THR 63 -12.454 -0.385 -15.439 482 HG1 THR 63 HG1 THR 63 -11.544 1.201 -14.299 483 1HG2 THR 63 1HG2 THR 63 -13.981 -1.982 -14.374 484 2HG2 THR 63 2HG2 THR 63 -13.672 -1.212 -12.811 485 3HG2 THR 63 3HG2 THR 63 -14.461 -0.302 -14.104 486 H SER 64 H SER 64 -9.674 -0.245 -12.703 487 HA SER 64 HA SER 64 -7.909 0.514 -14.912 488 1HB SER 64 1HB SER 64 -8.745 1.746 -12.449 489 2HB SER 64 2HB SER 64 -6.994 1.676 -12.502 490 HG SER 64 HG SER 64 -8.785 3.019 -14.172 491 H VAL 65 H VAL 65 -5.782 0.031 -15.016 492 HA VAL 65 HA VAL 65 -4.884 -2.415 -13.967 493 HB VAL 65 HB VAL 65 -3.112 -0.208 -14.995 494 1HG1 VAL 65 1HG1 VAL 65 -2.711 -3.004 -14.269 495 2HG1 VAL 65 2HG1 VAL 65 -2.138 -2.626 -15.893 496 3HG1 VAL 65 3HG1 VAL 65 -1.554 -1.709 -14.516 497 1HG2 VAL 65 1HG2 VAL 65 -5.090 -1.867 -16.421 498 2HG2 VAL 65 2HG2 VAL 65 -4.421 -0.295 -16.799 499 3HG2 VAL 65 3HG2 VAL 65 -3.506 -1.747 -17.173 500 1HB PRO 66 1HB PRO 66 -3.019 -3.476 -9.413 501 2HB PRO 66 2HB PRO 66 -4.129 -2.506 -8.462 502 1HG PRO 66 1HG PRO 66 -5.016 -4.486 -9.991 503 2HG PRO 66 2HG PRO 66 -5.920 -3.028 -9.739 504 1HD PRO 66 1HD PRO 66 -5.877 -2.963 -12.030 505 2HD PRO 66 2HD PRO 66 -4.378 -3.859 -12.130 506 H HIS 67 H HIS 67 -2.264 0.584 -10.492 507 HA HIS 67 HA HIS 67 0.380 -0.705 -10.437 508 1HB HIS 67 1HB HIS 67 -0.118 -0.065 -12.739 509 2HB HIS 67 2HB HIS 67 1.183 0.923 -12.088 510 HD1 HIS 67 HD1 HIS 67 0.249 2.377 -14.272 511 HD2 HIS 67 HD2 HIS 67 -2.054 2.392 -10.817 512 HE1 HIS 67 HE1 HIS 67 -1.220 4.411 -14.433 513 HE2 HIS 67 HE2 HIS 67 -2.669 4.332 -12.375 514 H ILE 68 H ILE 68 1.967 0.310 -9.364 515 HA ILE 68 HA ILE 68 1.477 1.780 -7.139 516 HB ILE 68 HB ILE 68 3.839 1.176 -8.786 517 1HG1 ILE 68 1HG1 ILE 68 4.310 1.443 -5.954 518 2HG1 ILE 68 2HG1 ILE 68 2.830 0.555 -6.210 519 1HG2 ILE 68 1HG2 ILE 68 3.837 3.728 -7.197 520 2HG2 ILE 68 2HG2 ILE 68 5.292 2.794 -7.499 521 3HG2 ILE 68 3HG2 ILE 68 4.371 3.392 -8.843 522 1HD1 ILE 68 1HD1 ILE 68 5.452 -0.130 -7.497 523 2HD1 ILE 68 2HD1 ILE 68 4.855 -0.832 -5.996 524 3HD1 ILE 68 3HD1 ILE 68 3.961 -1.074 -7.489 525 H THR 69 H THR 69 0.381 3.614 -6.966 526 HA THR 69 HA THR 69 1.339 6.017 -8.264 527 HB THR 69 HB THR 69 -1.343 4.811 -8.962 528 HG1 THR 69 HG1 THR 69 0.823 5.767 -10.555 529 1HG2 THR 69 1HG2 THR 69 -0.435 7.652 -9.339 530 2HG2 THR 69 2HG2 THR 69 -1.717 6.900 -10.283 531 3HG2 THR 69 3HG2 THR 69 -1.894 7.073 -8.544 No H/Q in entry = 531 Start of MODEL 14 1 H SER 1 H SER 1 16.036 11.086 -7.265 2 HA SER 1 HA SER 1 16.270 8.224 -7.294 3 1HB SER 1 1HB SER 1 15.986 8.348 -4.846 4 2HB SER 1 2HB SER 1 17.017 9.645 -5.421 5 HG SER 1 HG SER 1 14.200 9.972 -5.005 6 H ARG 2 H ARG 2 14.785 6.752 -7.978 7 HA ARG 2 HA ARG 2 12.057 6.576 -7.099 8 1HB ARG 2 1HB ARG 2 12.615 8.326 -9.249 9 2HB ARG 2 2HB ARG 2 11.900 6.924 -9.992 10 1HG ARG 2 1HG ARG 2 9.883 7.512 -9.368 11 2HG ARG 2 2HG ARG 2 10.348 7.592 -7.675 12 1HD ARG 2 1HD ARG 2 11.430 9.918 -8.752 13 2HD ARG 2 2HD ARG 2 9.989 9.758 -7.786 14 HE ARG 2 HE ARG 2 8.677 10.017 -9.632 15 1HH1 ARG 2 1HH1 ARG 2 12.038 9.753 -10.617 16 2HH1 ARG 2 2HH1 ARG 2 11.734 10.270 -12.221 17 1HH2 ARG 2 1HH2 ARG 2 8.291 10.696 -11.772 18 2HH2 ARG 2 2HH2 ARG 2 9.607 10.808 -12.893 19 H ARG 3 H ARG 3 13.354 4.570 -6.649 20 HA ARG 3 HA ARG 3 12.759 2.627 -8.769 21 1HB ARG 3 1HB ARG 3 15.462 2.980 -7.454 22 2HB ARG 3 2HB ARG 3 14.997 1.510 -8.304 23 1HG ARG 3 1HG ARG 3 15.198 4.268 -9.498 24 2HG ARG 3 2HG ARG 3 16.337 2.939 -9.714 25 1HD ARG 3 1HD ARG 3 14.028 1.731 -10.452 26 2HD ARG 3 2HD ARG 3 13.684 3.373 -10.935 27 HE ARG 3 HE ARG 3 15.823 1.639 -11.947 28 1HH1 ARG 3 1HH1 ARG 3 14.058 4.669 -12.185 29 2HH1 ARG 3 2HH1 ARG 3 14.675 5.042 -13.743 30 1HH2 ARG 3 1HH2 ARG 3 16.640 2.159 -14.012 31 2HH2 ARG 3 2HH2 ARG 3 16.147 3.631 -14.781 32 H CYS 4 H CYS 4 11.021 2.263 -7.297 33 HA CYS 4 HA CYS 4 11.632 1.150 -4.697 34 1HB CYS 4 1HB CYS 4 9.138 0.836 -4.549 35 2HB CYS 4 2HB CYS 4 9.682 2.487 -4.807 36 1HB PRO 5 1HB PRO 5 10.971 -4.303 -3.620 37 2HB PRO 5 2HB PRO 5 12.511 -3.463 -3.802 38 1HG PRO 5 1HG PRO 5 9.999 -2.518 -2.553 39 2HG PRO 5 2HG PRO 5 11.648 -2.361 -1.943 40 1HD PRO 5 1HD PRO 5 10.318 -0.343 -3.218 41 2HD PRO 5 2HD PRO 5 12.075 -0.530 -3.280 42 H GLY 6 H GLY 6 10.229 -5.184 -5.488 43 1HA GLY 6 1HA GLY 6 8.256 -6.229 -5.944 44 2HA GLY 6 2HA GLY 6 7.453 -4.851 -5.249 45 H LYS 7 H LYS 7 6.019 -5.783 -7.107 46 HA LYS 7 HA LYS 7 6.753 -4.946 -9.768 47 1HB LYS 7 1HB LYS 7 5.340 -6.916 -9.149 48 2HB LYS 7 2HB LYS 7 4.072 -5.823 -8.759 49 1HG LYS 7 1HG LYS 7 3.781 -5.101 -10.942 50 2HG LYS 7 2HG LYS 7 5.324 -5.777 -11.464 51 1HD LYS 7 1HD LYS 7 2.888 -7.327 -10.604 52 2HD LYS 7 2HD LYS 7 3.454 -7.128 -12.253 53 1HE LYS 7 1HE LYS 7 5.626 -8.132 -10.668 54 2HE LYS 7 2HE LYS 7 4.189 -9.095 -10.340 55 1HZ LYS 7 1HZ LYS 7 3.953 -9.469 -12.702 56 2HZ LYS 7 2HZ LYS 7 5.315 -8.518 -13.027 57 3HZ LYS 7 3HZ LYS 7 5.482 -9.970 -12.175 58 H ASN 8 H ASN 8 5.719 -3.302 -11.009 59 HA ASN 8 HA ASN 8 4.687 -1.067 -9.356 60 1HB ASN 8 1HB ASN 8 6.051 -0.975 -12.051 61 2HB ASN 8 2HB ASN 8 5.545 0.411 -11.086 62 2HD2 ASN 8 2HD2 ASN 8 8.034 0.558 -11.737 63 1HD2 ASN 8 1HD2 ASN 8 9.086 0.082 -10.453 64 H ALA 9 H ALA 9 3.710 -3.285 -11.767 65 HA ALA 9 HA ALA 9 1.187 -1.886 -12.044 66 1HB ALA 9 1HB ALA 9 2.844 -2.589 -14.455 67 2HB ALA 9 2HB ALA 9 1.198 -1.955 -14.479 68 3HB ALA 9 3HB ALA 9 2.520 -0.957 -13.870 69 H TRP 10 H TRP 10 -0.436 -3.300 -11.971 70 HA TRP 10 HA TRP 10 0.189 -6.149 -12.497 71 1HB TRP 10 1HB TRP 10 -1.690 -4.867 -10.521 72 2HB TRP 10 2HB TRP 10 -1.709 -6.574 -10.918 73 HD1 TRP 10 HD1 TRP 10 0.191 -8.107 -9.910 74 HE1 TRP 10 HE1 TRP 10 1.999 -7.705 -8.123 75 HE3 TRP 10 HE3 TRP 10 -0.109 -3.033 -9.556 76 HZ2 TRP 10 HZ2 TRP 10 3.126 -5.519 -6.741 77 HZ3 TRP 10 HZ3 TRP 10 1.352 -1.848 -7.995 78 HH2 TRP 10 HH2 TRP 10 2.947 -3.071 -6.604 79 1HB PRO 11 1HB PRO 11 -1.814 -6.278 -17.661 80 2HB PRO 11 2HB PRO 11 -1.431 -4.578 -17.393 81 1HG PRO 11 1HG PRO 11 0.059 -7.006 -16.497 82 2HG PRO 11 2HG PRO 11 0.684 -5.477 -17.140 83 1HD PRO 11 1HD PRO 11 0.741 -6.039 -14.532 84 2HD PRO 11 2HD PRO 11 0.448 -4.386 -15.112 85 H GLU 12 H GLU 12 -1.563 -7.821 -14.847 86 HA GLU 12 HA GLU 12 -3.635 -9.417 -15.895 87 1HB GLU 12 1HB GLU 12 -1.456 -10.317 -15.281 88 2HB GLU 12 2HB GLU 12 -2.757 -11.181 -14.476 89 1HG GLU 12 1HG GLU 12 -2.127 -9.238 -12.623 90 2HG GLU 12 2HG GLU 12 -1.595 -10.914 -12.620 91 H LEU 13 H LEU 13 -3.672 -7.266 -13.237 92 HA LEU 13 HA LEU 13 -5.657 -8.708 -11.730 93 1HB LEU 13 1HB LEU 13 -4.427 -5.980 -11.493 94 2HB LEU 13 2HB LEU 13 -5.808 -6.431 -10.520 95 HG LEU 13 HG LEU 13 -3.066 -7.680 -10.463 96 1HD1 LEU 13 1HD1 LEU 13 -4.612 -5.911 -8.630 97 2HD1 LEU 13 2HD1 LEU 13 -3.375 -6.958 -7.992 98 3HD1 LEU 13 3HD1 LEU 13 -2.987 -5.745 -9.175 99 1HD2 LEU 13 1HD2 LEU 13 -5.674 -8.617 -9.358 100 2HD2 LEU 13 2HD2 LEU 13 -4.381 -9.520 -10.140 101 3HD2 LEU 13 3HD2 LEU 13 -4.193 -8.948 -8.507 102 H VAL 14 H VAL 14 -5.604 -6.489 -14.356 103 HA VAL 14 HA VAL 14 -8.067 -5.217 -14.075 104 HB VAL 14 HB VAL 14 -6.794 -6.129 -16.666 105 1HG1 VAL 14 1HG1 VAL 14 -8.839 -3.984 -16.070 106 2HG1 VAL 14 2HG1 VAL 14 -8.010 -4.169 -17.618 107 3HG1 VAL 14 3HG1 VAL 14 -9.068 -5.443 -17.035 108 1HG2 VAL 14 1HG2 VAL 14 -5.279 -4.759 -15.189 109 2HG2 VAL 14 2HG2 VAL 14 -5.671 -4.058 -16.743 110 3HG2 VAL 14 3HG2 VAL 14 -6.469 -3.471 -15.290 111 H GLY 15 H GLY 15 -10.000 -6.165 -13.760 112 1HA GLY 15 1HA GLY 15 -11.814 -7.352 -14.818 113 2HA GLY 15 2HA GLY 15 -10.675 -8.556 -15.391 114 H LYS 16 H LYS 16 -9.503 -8.025 -12.440 115 HA LYS 16 HA LYS 16 -11.073 -10.212 -11.291 116 1HB LYS 16 1HB LYS 16 -8.295 -9.398 -11.196 117 2HB LYS 16 2HB LYS 16 -8.923 -9.582 -9.572 118 1HG LYS 16 1HG LYS 16 -9.465 -11.729 -11.589 119 2HG LYS 16 2HG LYS 16 -7.846 -11.570 -10.912 120 1HD LYS 16 1HD LYS 16 -8.468 -12.601 -9.069 121 2HD LYS 16 2HD LYS 16 -9.704 -11.399 -8.736 122 1HE LYS 16 1HE LYS 16 -10.079 -13.746 -10.599 123 2HE LYS 16 2HE LYS 16 -10.490 -13.773 -8.886 124 1HZ LYS 16 1HZ LYS 16 -12.011 -11.888 -9.300 125 2HZ LYS 16 2HZ LYS 16 -11.663 -12.004 -10.950 126 3HZ LYS 16 3HZ LYS 16 -12.430 -13.278 -10.165 127 H SER 17 H SER 17 -11.270 -10.074 -8.803 128 HA SER 17 HA SER 17 -12.954 -7.858 -8.243 129 1HB SER 17 1HB SER 17 -13.408 -8.884 -6.194 130 2HB SER 17 2HB SER 17 -13.032 -10.247 -7.247 131 HG SER 17 HG SER 17 -11.915 -10.456 -5.305 132 H GLY 18 H GLY 18 -12.641 -6.065 -6.947 133 1HA GLY 18 1HA GLY 18 -10.170 -4.819 -6.873 134 2HA GLY 18 2HA GLY 18 -11.504 -4.434 -5.821 135 H ASN 19 H ASN 19 -11.567 -7.075 -4.580 136 HA ASN 19 HA ASN 19 -9.665 -6.575 -2.510 137 1HB ASN 19 1HB ASN 19 -10.542 -8.596 -1.480 138 2HB ASN 19 2HB ASN 19 -11.344 -9.055 -2.982 139 2HD2 ASN 19 2HD2 ASN 19 -13.283 -8.110 -3.529 140 1HD2 ASN 19 1HD2 ASN 19 -14.127 -7.046 -2.466 141 H MET 20 H MET 20 -9.972 -9.042 -5.052 142 HA MET 20 HA MET 20 -7.659 -10.499 -4.354 143 1HB MET 20 1HB MET 20 -9.651 -10.834 -6.181 144 2HB MET 20 2HB MET 20 -8.357 -10.359 -7.247 145 1HG MET 20 1HG MET 20 -8.333 -12.628 -5.267 146 2HG MET 20 2HG MET 20 -8.534 -12.781 -7.001 147 1HE MET 20 1HE MET 20 -6.723 -11.707 -8.663 148 2HE MET 20 2HE MET 20 -6.204 -10.320 -7.744 149 3HE MET 20 3HE MET 20 -5.033 -11.510 -8.271 150 H ALA 21 H ALA 21 -8.188 -7.638 -6.323 151 HA ALA 21 HA ALA 21 -5.626 -7.508 -7.473 152 1HB ALA 21 1HB ALA 21 -7.781 -5.485 -7.002 153 2HB ALA 21 2HB ALA 21 -7.222 -6.177 -8.524 154 3HB ALA 21 3HB ALA 21 -6.211 -5.016 -7.678 155 H ALA 22 H ALA 22 -6.974 -5.530 -4.831 156 HA ALA 22 HA ALA 22 -4.633 -4.357 -4.004 157 1HB ALA 22 1HB ALA 22 -5.843 -4.495 -1.636 158 2HB ALA 22 2HB ALA 22 -6.395 -3.441 -2.931 159 3HB ALA 22 3HB ALA 22 -7.199 -4.989 -2.650 160 H ALA 23 H ALA 23 -5.869 -7.559 -3.261 161 HA ALA 23 HA ALA 23 -3.998 -8.201 -1.233 162 1HB ALA 23 1HB ALA 23 -4.780 -10.412 -1.422 163 2HB ALA 23 2HB ALA 23 -6.158 -9.402 -1.777 164 3HB ALA 23 3HB ALA 23 -5.294 -10.194 -3.093 165 H THR 24 H THR 24 -4.055 -8.781 -4.744 166 HA THR 24 HA THR 24 -1.656 -10.224 -4.913 167 HB THR 24 HB THR 24 -2.831 -8.374 -6.984 168 HG1 THR 24 HG1 THR 24 -3.376 -11.117 -6.460 169 1HG2 THR 24 1HG2 THR 24 -0.990 -10.725 -7.248 170 2HG2 THR 24 2HG2 THR 24 -1.837 -9.974 -8.600 171 3HG2 THR 24 3HG2 THR 24 -0.650 -9.048 -7.680 172 H VAL 25 H VAL 25 -2.268 -6.735 -5.029 173 HA VAL 25 HA VAL 25 0.395 -5.995 -5.674 174 HB VAL 25 HB VAL 25 -1.585 -4.303 -4.140 175 1HG1 VAL 25 1HG1 VAL 25 1.059 -3.833 -5.087 176 2HG1 VAL 25 2HG1 VAL 25 -0.052 -2.859 -6.036 177 3HG1 VAL 25 3HG1 VAL 25 -0.040 -2.722 -4.294 178 1HG2 VAL 25 1HG2 VAL 25 -1.461 -4.978 -7.066 179 2HG2 VAL 25 2HG2 VAL 25 -2.842 -4.926 -5.980 180 3HG2 VAL 25 3HG2 VAL 25 -2.110 -3.434 -6.510 181 H GLU 26 H GLU 26 -1.346 -6.082 -2.556 182 HA GLU 26 HA GLU 26 0.911 -5.287 -1.016 183 1HB GLU 26 1HB GLU 26 -0.386 -5.915 0.912 184 2HB GLU 26 2HB GLU 26 -1.493 -6.858 -0.079 185 1HG GLU 26 1HG GLU 26 -1.428 -4.189 -1.116 186 2HG GLU 26 2HG GLU 26 -2.765 -5.106 -0.432 187 H ARG 27 H ARG 27 -0.247 -8.426 -2.126 188 HA ARG 27 HA ARG 27 1.534 -9.899 -0.389 189 1HB ARG 27 1HB ARG 27 -0.598 -10.552 -2.291 190 2HB ARG 27 2HB ARG 27 0.766 -11.607 -2.471 191 1HG ARG 27 1HG ARG 27 -0.284 -12.792 -0.916 192 2HG ARG 27 2HG ARG 27 0.566 -11.717 0.190 193 1HD ARG 27 1HD ARG 27 -1.644 -11.690 0.951 194 2HD ARG 27 2HD ARG 27 -1.496 -10.209 0.026 195 HE ARG 27 HE ARG 27 -2.901 -11.050 -1.581 196 1HH1 ARG 27 1HH1 ARG 27 -2.150 -13.578 0.728 197 2HH1 ARG 27 2HH1 ARG 27 -3.404 -14.612 0.167 198 1HH2 ARG 27 1HH2 ARG 27 -4.567 -12.441 -2.306 199 2HH2 ARG 27 2HH2 ARG 27 -4.766 -13.987 -1.552 200 H GLU 28 H GLU 28 1.407 -9.237 -3.889 201 HA GLU 28 HA GLU 28 3.903 -10.488 -4.443 202 1HB GLU 28 1HB GLU 28 2.341 -8.425 -6.011 203 2HB GLU 28 2HB GLU 28 3.764 -9.260 -6.608 204 1HG GLU 28 1HG GLU 28 2.387 -11.414 -6.000 205 2HG GLU 28 2HG GLU 28 1.019 -10.321 -6.138 206 H ASN 29 H ASN 29 2.952 -7.163 -3.671 207 HA ASN 29 HA ASN 29 5.824 -6.453 -3.539 208 1HB ASN 29 1HB ASN 29 4.604 -5.296 -5.332 209 2HB ASN 29 2HB ASN 29 3.500 -4.620 -4.154 210 2HD2 ASN 29 2HD2 ASN 29 5.315 -3.247 -5.999 211 1HD2 ASN 29 1HD2 ASN 29 6.373 -2.320 -4.997 212 H ARG 30 H ARG 30 5.805 -7.260 -1.374 213 HA ARG 30 HA ARG 30 4.129 -6.259 0.651 214 1HB ARG 30 1HB ARG 30 6.332 -8.051 0.463 215 2HB ARG 30 2HB ARG 30 6.760 -6.879 1.693 216 1HG ARG 30 1HG ARG 30 4.090 -7.604 2.240 217 2HG ARG 30 2HG ARG 30 4.924 -9.091 1.790 218 1HD ARG 30 1HD ARG 30 6.761 -8.267 3.433 219 2HD ARG 30 2HD ARG 30 5.514 -7.183 4.011 220 HE ARG 30 HE ARG 30 4.221 -9.010 4.741 221 1HH1 ARG 30 1HH1 ARG 30 7.397 -9.978 3.559 222 2HH1 ARG 30 2HH1 ARG 30 7.357 -11.486 4.378 223 1HH2 ARG 30 1HH2 ARG 30 4.201 -11.039 5.803 224 2HH2 ARG 30 2HH2 ARG 30 5.562 -12.096 5.631 225 H ASN 31 H ASN 31 6.386 -4.532 -1.153 226 HA ASN 31 HA ASN 31 7.117 -2.747 1.039 227 1HB ASN 31 1HB ASN 31 8.838 -3.505 -0.574 228 2HB ASN 31 2HB ASN 31 7.958 -2.700 -1.866 229 2HD2 ASN 31 2HD2 ASN 31 8.173 -0.514 -2.126 230 1HD2 ASN 31 1HD2 ASN 31 9.198 0.457 -1.134 231 H VAL 32 H VAL 32 4.424 -3.057 -0.739 232 HA VAL 32 HA VAL 32 3.893 -0.183 -0.632 233 HB VAL 32 HB VAL 32 3.003 -0.063 -2.841 234 1HG1 VAL 32 1HG1 VAL 32 5.424 0.279 -2.642 235 2HG1 VAL 32 2HG1 VAL 32 5.692 -1.414 -2.942 236 3HG1 VAL 32 3HG1 VAL 32 5.005 -0.425 -4.200 237 1HG2 VAL 32 1HG2 VAL 32 3.350 -3.014 -2.827 238 2HG2 VAL 32 2HG2 VAL 32 1.991 -2.057 -3.359 239 3HG2 VAL 32 3HG2 VAL 32 3.424 -2.169 -4.368 240 H HIS 33 H HIS 33 1.525 0.254 -1.072 241 HA HIS 33 HA HIS 33 -0.141 -1.994 -0.176 242 1HB HIS 33 1HB HIS 33 -0.949 -0.919 1.660 243 2HB HIS 33 2HB HIS 33 0.584 -0.086 1.579 244 HD1 HIS 33 HD1 HIS 33 -2.665 0.712 2.313 245 HD2 HIS 33 HD2 HIS 33 0.011 2.319 -0.394 246 HE1 HIS 33 HE1 HIS 33 -3.486 3.043 1.850 247 HE2 HIS 33 HE2 HIS 33 -1.701 4.055 0.402 248 H ALA 34 H ALA 34 -2.127 -2.162 -1.097 249 HA ALA 34 HA ALA 34 -2.730 -0.218 -3.213 250 1HB ALA 34 1HB ALA 34 -4.174 -2.135 -4.098 251 2HB ALA 34 2HB ALA 34 -2.418 -2.301 -4.201 252 3HB ALA 34 3HB ALA 34 -3.306 -3.134 -2.933 253 H ILE 35 H ILE 35 -4.556 0.932 -3.179 254 HA ILE 35 HA ILE 35 -6.475 0.406 -0.992 255 HB ILE 35 HB ILE 35 -6.184 2.934 -2.547 256 1HG1 ILE 35 1HG1 ILE 35 -4.705 1.947 -0.150 257 2HG1 ILE 35 2HG1 ILE 35 -5.101 3.661 -0.237 258 1HG2 ILE 35 1HG2 ILE 35 -7.505 2.309 0.067 259 2HG2 ILE 35 2HG2 ILE 35 -7.388 3.921 -0.636 260 3HG2 ILE 35 3HG2 ILE 35 -8.328 2.673 -1.452 261 1HD1 ILE 35 1HD1 ILE 35 -4.007 3.103 -2.730 262 2HD1 ILE 35 2HD1 ILE 35 -3.278 3.920 -1.363 263 3HD1 ILE 35 3HD1 ILE 35 -3.020 2.199 -1.576 264 H VAL 36 H VAL 36 -8.250 -0.618 -1.640 265 HA VAL 36 HA VAL 36 -9.092 -0.596 -4.395 266 HB VAL 36 HB VAL 36 -10.450 -1.801 -1.995 267 1HG1 VAL 36 1HG1 VAL 36 -10.831 -2.231 -4.959 268 2HG1 VAL 36 2HG1 VAL 36 -11.523 -3.260 -3.709 269 3HG1 VAL 36 3HG1 VAL 36 -12.005 -1.572 -3.819 270 1HG2 VAL 36 1HG2 VAL 36 -8.483 -3.004 -3.944 271 2HG2 VAL 36 2HG2 VAL 36 -8.249 -2.730 -2.213 272 3HG2 VAL 36 3HG2 VAL 36 -9.430 -3.909 -2.761 273 H LEU 37 H LEU 37 -10.316 0.902 -5.274 274 HA LEU 37 HA LEU 37 -12.567 2.025 -3.792 275 1HB LEU 37 1HB LEU 37 -11.805 4.319 -4.788 276 2HB LEU 37 2HB LEU 37 -11.249 3.761 -3.241 277 HG LEU 37 HG LEU 37 -9.274 2.792 -4.933 278 1HD1 LEU 37 1HD1 LEU 37 -10.300 4.011 -6.820 279 2HD1 LEU 37 2HD1 LEU 37 -10.026 5.518 -5.942 280 3HD1 LEU 37 3HD1 LEU 37 -8.659 4.530 -6.436 281 1HD2 LEU 37 1HD2 LEU 37 -9.540 4.750 -2.851 282 2HD2 LEU 37 2HD2 LEU 37 -8.151 3.804 -3.355 283 3HD2 LEU 37 3HD2 LEU 37 -8.463 5.358 -4.109 284 H LYS 38 H LYS 38 -14.124 2.988 -5.176 285 HA LYS 38 HA LYS 38 -14.165 1.766 -7.799 286 1HB LYS 38 1HB LYS 38 -16.516 2.815 -7.874 287 2HB LYS 38 2HB LYS 38 -16.213 1.463 -6.808 288 1HG LYS 38 1HG LYS 38 -15.712 3.979 -5.417 289 2HG LYS 38 2HG LYS 38 -17.280 3.974 -6.193 290 1HD LYS 38 1HD LYS 38 -17.794 3.061 -4.169 291 2HD LYS 38 2HD LYS 38 -17.576 1.613 -5.148 292 1HE LYS 38 1HE LYS 38 -15.297 2.786 -3.556 293 2HE LYS 38 2HE LYS 38 -16.489 1.729 -2.821 294 1HZ LYS 38 1HZ LYS 38 -15.175 0.803 -5.275 295 2HZ LYS 38 2HZ LYS 38 -14.338 0.747 -3.832 296 3HZ LYS 38 3HZ LYS 38 -15.801 -0.070 -3.994 297 H GLU 39 H GLU 39 -14.735 2.893 -9.723 298 HA GLU 39 HA GLU 39 -13.151 5.055 -10.368 299 1HB GLU 39 1HB GLU 39 -14.730 5.380 -12.321 300 2HB GLU 39 2HB GLU 39 -14.040 3.775 -12.132 301 1HG GLU 39 1HG GLU 39 -16.020 2.838 -11.393 302 2HG GLU 39 2HG GLU 39 -16.732 4.387 -10.965 303 H GLY 40 H GLY 40 -13.122 7.088 -9.686 304 1HA GLY 40 1HA GLY 40 -14.218 9.224 -9.711 305 2HA GLY 40 2HA GLY 40 -15.717 8.454 -9.231 306 H SER 41 H SER 41 -13.516 6.885 -7.419 307 HA SER 41 HA SER 41 -14.247 8.143 -5.016 308 1HB SER 41 1HB SER 41 -13.513 5.823 -5.069 309 2HB SER 41 2HB SER 41 -11.918 6.316 -5.626 310 HG SER 41 HG SER 41 -12.275 5.896 -3.259 311 H ALA 42 H ALA 42 -12.237 8.688 -3.433 312 HA ALA 42 HA ALA 42 -11.099 11.128 -4.571 313 1HB ALA 42 1HB ALA 42 -10.461 11.642 -2.284 314 2HB ALA 42 2HB ALA 42 -12.166 11.210 -2.376 315 3HB ALA 42 3HB ALA 42 -10.999 10.047 -1.750 316 H MET 43 H MET 43 -9.471 10.408 -5.950 317 HA MET 43 HA MET 43 -7.180 9.090 -4.618 318 1HB MET 43 1HB MET 43 -6.670 8.161 -6.907 319 2HB MET 43 2HB MET 43 -8.009 7.445 -6.047 320 1HG MET 43 1HG MET 43 -9.507 8.069 -7.560 321 2HG MET 43 2HG MET 43 -8.783 9.650 -7.817 322 1HE MET 43 1HE MET 43 -7.997 10.341 -9.731 323 2HE MET 43 2HE MET 43 -7.317 9.444 -11.090 324 3HE MET 43 3HE MET 43 -9.054 9.409 -10.793 325 H THR 44 H THR 44 -5.458 10.343 -4.559 326 HA THR 44 HA THR 44 -5.315 12.780 -6.047 327 HB THR 44 HB THR 44 -2.761 12.423 -5.145 328 HG1 THR 44 HG1 THR 44 -2.918 11.305 -3.154 329 1HG2 THR 44 1HG2 THR 44 -4.205 14.278 -4.525 330 2HG2 THR 44 2HG2 THR 44 -5.067 13.238 -3.394 331 3HG2 THR 44 3HG2 THR 44 -3.357 13.601 -3.135 332 H LYS 45 H LYS 45 -3.641 13.330 -7.584 333 HA LYS 45 HA LYS 45 -3.224 11.155 -9.491 334 1HB LYS 45 1HB LYS 45 -3.105 14.137 -9.575 335 2HB LYS 45 2HB LYS 45 -2.133 13.248 -10.738 336 1HG LYS 45 1HG LYS 45 -4.228 13.798 -11.729 337 2HG LYS 45 2HG LYS 45 -4.140 12.049 -11.491 338 1HD LYS 45 1HD LYS 45 -5.507 12.260 -9.464 339 2HD LYS 45 2HD LYS 45 -5.585 14.008 -9.696 340 1HE LYS 45 1HE LYS 45 -6.422 12.867 -12.135 341 2HE LYS 45 2HE LYS 45 -7.173 11.914 -10.870 342 1HZ LYS 45 1HZ LYS 45 -7.334 14.864 -11.108 343 2HZ LYS 45 2HZ LYS 45 -8.560 13.771 -11.520 344 3HZ LYS 45 3HZ LYS 45 -8.075 13.926 -9.908 345 H ASP 46 H ASP 46 -1.421 12.981 -7.161 346 HA ASP 46 HA ASP 46 1.136 12.872 -8.096 347 1HB ASP 46 1HB ASP 46 0.085 13.657 -5.774 348 2HB ASP 46 2HB ASP 46 0.694 12.102 -5.222 349 H PHE 47 H PHE 47 2.797 11.396 -8.163 350 HA PHE 47 HA PHE 47 1.996 8.609 -8.258 351 1HB PHE 47 1HB PHE 47 3.392 9.372 -10.030 352 2HB PHE 47 2HB PHE 47 4.563 10.054 -8.909 353 HD1 PHE 47 HD1 PHE 47 3.401 7.040 -10.567 354 HD2 PHE 47 HD2 PHE 47 6.055 8.587 -7.614 355 HE1 PHE 47 HE1 PHE 47 4.640 4.931 -10.575 356 HE2 PHE 47 HE2 PHE 47 7.292 6.466 -7.613 357 HZ PHE 47 HZ PHE 47 6.588 4.630 -9.095 358 H ARG 48 H ARG 48 2.466 7.050 -6.798 359 HA ARG 48 HA ARG 48 4.503 7.519 -4.742 360 1HB ARG 48 1HB ARG 48 1.753 6.662 -3.920 361 2HB ARG 48 2HB ARG 48 3.086 7.147 -2.896 362 1HG ARG 48 1HG ARG 48 2.750 9.420 -4.240 363 2HG ARG 48 2HG ARG 48 1.126 8.769 -4.432 364 1HD ARG 48 1HD ARG 48 1.139 10.144 -2.530 365 2HD ARG 48 2HD ARG 48 2.631 9.430 -1.915 366 HE ARG 48 HE ARG 48 1.011 7.315 -1.912 367 1HH1 ARG 48 1HH1 ARG 48 0.516 10.562 -0.705 368 2HH1 ARG 48 2HH1 ARG 48 -0.564 10.049 0.533 369 1HH2 ARG 48 1HH2 ARG 48 -0.422 6.651 -0.273 370 2HH2 ARG 48 2HH2 ARG 48 -1.098 7.847 0.783 371 H CYS 49 H CYS 49 5.758 5.798 -4.867 372 HA CYS 49 HA CYS 49 5.085 3.375 -6.068 373 1HB CYS 49 1HB CYS 49 7.346 4.390 -4.456 374 2HB CYS 49 2HB CYS 49 7.175 2.644 -4.489 375 H ASP 50 H ASP 50 4.985 4.345 -2.693 376 HA ASP 50 HA ASP 50 4.329 1.692 -1.769 377 1HB ASP 50 1HB ASP 50 3.948 2.812 0.418 378 2HB ASP 50 2HB ASP 50 5.531 3.134 -0.279 379 H ARG 51 H ARG 51 2.524 3.822 -3.527 380 HA ARG 51 HA ARG 51 0.040 2.908 -2.268 381 1HB ARG 51 1HB ARG 51 0.621 5.374 -1.998 382 2HB ARG 51 2HB ARG 51 0.335 5.518 -3.727 383 1HG ARG 51 1HG ARG 51 -1.967 4.506 -3.249 384 2HG ARG 51 2HG ARG 51 -1.590 4.826 -1.556 385 1HD ARG 51 1HD ARG 51 -1.146 7.186 -2.241 386 2HD ARG 51 2HD ARG 51 -2.807 6.690 -2.282 387 HE ARG 51 HE ARG 51 -2.084 6.258 -4.806 388 1HH1 ARG 51 1HH1 ARG 51 -1.527 9.045 -2.732 389 2HH1 ARG 51 2HH1 ARG 51 -1.444 10.143 -4.048 390 1HH2 ARG 51 1HH2 ARG 51 -2.025 7.775 -6.539 391 2HH2 ARG 51 2HH2 ARG 51 -1.749 9.437 -6.176 392 H VAL 52 H VAL 52 -1.311 1.849 -3.533 393 HA VAL 52 HA VAL 52 -1.040 2.140 -6.466 394 HB VAL 52 HB VAL 52 -1.574 -0.463 -5.024 395 1HG1 VAL 52 1HG1 VAL 52 -1.360 0.295 -7.915 396 2HG1 VAL 52 2HG1 VAL 52 -1.108 -1.358 -7.376 397 3HG1 VAL 52 3HG1 VAL 52 -2.656 -0.566 -7.114 398 1HG2 VAL 52 1HG2 VAL 52 0.942 0.771 -6.011 399 2HG2 VAL 52 2HG2 VAL 52 0.645 -0.267 -4.633 400 3HG2 VAL 52 3HG2 VAL 52 0.731 -0.956 -6.239 401 H TRP 53 H TRP 53 -2.875 3.076 -7.148 402 HA TRP 53 HA TRP 53 -5.310 2.855 -5.630 403 1HB TRP 53 1HB TRP 53 -4.641 4.161 -8.260 404 2HB TRP 53 2HB TRP 53 -6.289 4.111 -7.660 405 HD1 TRP 53 HD1 TRP 53 -4.255 6.710 -8.149 406 HE1 TRP 53 HE1 TRP 53 -4.198 8.460 -6.268 407 HE3 TRP 53 HE3 TRP 53 -6.062 3.865 -4.341 408 HZ2 TRP 53 HZ2 TRP 53 -4.762 8.588 -3.510 409 HZ3 TRP 53 HZ3 TRP 53 -6.277 4.891 -2.121 410 HH2 TRP 53 HH2 TRP 53 -5.659 7.187 -1.708 411 H VAL 54 H VAL 54 -7.012 1.553 -5.959 412 HA VAL 54 HA VAL 54 -6.916 -0.233 -8.325 413 HB VAL 54 HB VAL 54 -7.734 -0.796 -5.485 414 1HG1 VAL 54 1HG1 VAL 54 -8.377 -2.307 -7.992 415 2HG1 VAL 54 2HG1 VAL 54 -8.180 -3.155 -6.459 416 3HG1 VAL 54 3HG1 VAL 54 -9.422 -1.924 -6.626 417 1HG2 VAL 54 1HG2 VAL 54 -5.354 -0.965 -5.985 418 2HG2 VAL 54 2HG2 VAL 54 -6.051 -2.529 -5.575 419 3HG2 VAL 54 3HG2 VAL 54 -5.711 -2.129 -7.259 420 H ILE 55 H ILE 55 -8.238 1.094 -9.573 421 HA ILE 55 HA ILE 55 -10.756 2.027 -8.559 422 HB ILE 55 HB ILE 55 -9.922 1.995 -11.416 423 1HG1 ILE 55 1HG1 ILE 55 -8.747 3.446 -9.222 424 2HG1 ILE 55 2HG1 ILE 55 -9.591 4.572 -10.267 425 1HG2 ILE 55 1HG2 ILE 55 -11.927 3.558 -9.897 426 2HG2 ILE 55 2HG2 ILE 55 -11.439 3.969 -11.539 427 3HG2 ILE 55 3HG2 ILE 55 -12.235 2.423 -11.205 428 1HD1 ILE 55 1HD1 ILE 55 -8.336 3.726 -12.183 429 2HD1 ILE 55 2HD1 ILE 55 -7.312 4.414 -10.929 430 3HD1 ILE 55 3HD1 ILE 55 -7.431 2.663 -11.101 431 H VAL 56 H VAL 56 -12.527 0.844 -8.404 432 HA VAL 56 HA VAL 56 -12.875 -1.436 -10.216 433 HB VAL 56 HB VAL 56 -14.209 -2.490 -8.470 434 1HG1 VAL 56 1HG1 VAL 56 -11.466 -1.671 -7.529 435 2HG1 VAL 56 2HG1 VAL 56 -12.411 -3.020 -6.908 436 3HG1 VAL 56 3HG1 VAL 56 -11.855 -3.039 -8.568 437 1HG2 VAL 56 1HG2 VAL 56 -15.037 -0.486 -7.332 438 2HG2 VAL 56 2HG2 VAL 56 -14.265 -1.592 -6.199 439 3HG2 VAL 56 3HG2 VAL 56 -13.411 -0.170 -6.756 440 H ASN 57 H ASN 57 -15.118 -2.038 -10.669 441 HA ASN 57 HA ASN 57 -16.636 0.330 -11.382 442 1HB ASN 57 1HB ASN 57 -16.397 -1.535 -12.962 443 2HB ASN 57 2HB ASN 57 -18.077 -1.210 -12.606 444 2HD2 ASN 57 2HD2 ASN 57 -17.346 -3.583 -13.711 445 1HD2 ASN 57 1HD2 ASN 57 -17.535 -4.852 -12.553 446 H ASP 58 H ASP 58 -19.203 -0.276 -11.225 447 HA ASP 58 HA ASP 58 -19.913 0.287 -8.591 448 1HB ASP 58 1HB ASP 58 -22.249 -0.256 -9.337 449 2HB ASP 58 2HB ASP 58 -21.387 0.859 -10.392 450 H HIS 59 H HIS 59 -19.270 -2.778 -10.077 451 HA HIS 59 HA HIS 59 -20.653 -4.265 -8.014 452 1HB HIS 59 1HB HIS 59 -19.548 -4.831 -10.671 453 2HB HIS 59 2HB HIS 59 -19.146 -6.083 -9.504 454 HD1 HIS 59 HD1 HIS 59 -21.774 -6.081 -7.870 455 HD2 HIS 59 HD2 HIS 59 -21.552 -6.091 -12.020 456 HE1 HIS 59 HE1 HIS 59 -23.960 -7.040 -8.656 457 HE2 HIS 59 HE2 HIS 59 -23.826 -6.988 -11.172 458 H GLY 60 H GLY 60 -17.513 -2.970 -8.513 459 1HA GLY 60 1HA GLY 60 -15.935 -2.920 -6.775 460 2HA GLY 60 2HA GLY 60 -16.563 -4.426 -6.140 461 H VAL 61 H VAL 61 -16.031 -4.091 -9.564 462 HA VAL 61 HA VAL 61 -13.841 -6.047 -9.394 463 HB VAL 61 HB VAL 61 -15.445 -5.190 -11.814 464 1HG1 VAL 61 1HG1 VAL 61 -13.532 -7.468 -11.342 465 2HG1 VAL 61 2HG1 VAL 61 -14.520 -7.285 -12.792 466 3HG1 VAL 61 3HG1 VAL 61 -13.289 -6.088 -12.406 467 1HG2 VAL 61 1HG2 VAL 61 -16.909 -6.255 -10.170 468 2HG2 VAL 61 2HG2 VAL 61 -16.650 -7.315 -11.554 469 3HG2 VAL 61 3HG2 VAL 61 -15.782 -7.608 -10.047 470 H VAL 62 H VAL 62 -11.855 -5.646 -10.370 471 HA VAL 62 HA VAL 62 -11.089 -2.890 -10.545 472 HB VAL 62 HB VAL 62 -9.467 -5.307 -11.366 473 1HG1 VAL 62 1HG1 VAL 62 -8.726 -2.973 -12.091 474 2HG1 VAL 62 2HG1 VAL 62 -8.459 -2.642 -10.385 475 3HG1 VAL 62 3HG1 VAL 62 -7.588 -3.945 -11.186 476 1HG2 VAL 62 1HG2 VAL 62 -10.448 -4.636 -8.807 477 2HG2 VAL 62 2HG2 VAL 62 -9.287 -5.865 -9.243 478 3HG2 VAL 62 3HG2 VAL 62 -8.738 -4.253 -8.798 479 H THR 63 H THR 63 -11.452 -1.629 -12.245 480 HA THR 63 HA THR 63 -11.802 -2.837 -14.900 481 HB THR 63 HB THR 63 -12.759 -0.730 -15.557 482 HG1 THR 63 HG1 THR 63 -11.718 0.848 -14.528 483 1HG2 THR 63 1HG2 THR 63 -14.253 -2.243 -14.342 484 2HG2 THR 63 2HG2 THR 63 -13.814 -1.444 -12.832 485 3HG2 THR 63 3HG2 THR 63 -14.659 -0.543 -14.093 486 H SER 64 H SER 64 -9.657 -0.664 -13.132 487 HA SER 64 HA SER 64 -8.103 -0.237 -15.606 488 1HB SER 64 1HB SER 64 -6.920 1.479 -13.998 489 2HB SER 64 2HB SER 64 -8.462 1.860 -14.761 490 HG SER 64 HG SER 64 -9.513 1.426 -12.899 491 H VAL 65 H VAL 65 -5.813 -0.290 -15.463 492 HA VAL 65 HA VAL 65 -4.819 -2.691 -14.327 493 HB VAL 65 HB VAL 65 -3.167 -0.425 -15.408 494 1HG1 VAL 65 1HG1 VAL 65 -2.585 -3.119 -14.495 495 2HG1 VAL 65 2HG1 VAL 65 -2.055 -2.854 -16.159 496 3HG1 VAL 65 3HG1 VAL 65 -1.510 -1.781 -14.883 497 1HG2 VAL 65 1HG2 VAL 65 -5.003 -1.042 -16.996 498 2HG2 VAL 65 2HG2 VAL 65 -3.386 -1.358 -17.591 499 3HG2 VAL 65 3HG2 VAL 65 -4.364 -2.673 -16.995 500 1HB PRO 66 1HB PRO 66 -4.305 -2.448 -8.813 501 2HB PRO 66 2HB PRO 66 -3.124 -3.468 -9.624 502 1HG PRO 66 1HG PRO 66 -5.045 -4.543 -10.244 503 2HG PRO 66 2HG PRO 66 -6.010 -3.096 -10.171 504 1HD PRO 66 1HD PRO 66 -4.227 -4.036 -12.360 505 2HD PRO 66 2HD PRO 66 -5.783 -3.244 -12.462 506 H HIS 67 H HIS 67 -2.310 0.525 -10.789 507 HA HIS 67 HA HIS 67 0.316 -0.801 -10.665 508 1HB HIS 67 1HB HIS 67 1.181 0.719 -12.343 509 2HB HIS 67 2HB HIS 67 -0.202 -0.145 -12.996 510 HD1 HIS 67 HD1 HIS 67 0.515 2.377 -14.399 511 HD2 HIS 67 HD2 HIS 67 -2.050 2.335 -11.138 512 HE1 HIS 67 HE1 HIS 67 -0.855 4.478 -14.578 513 HE2 HIS 67 HE2 HIS 67 -2.428 4.396 -12.614 514 H ILE 68 H ILE 68 1.989 0.389 -9.797 515 HA ILE 68 HA ILE 68 1.500 1.786 -7.511 516 HB ILE 68 HB ILE 68 3.802 1.153 -9.141 517 1HG1 ILE 68 1HG1 ILE 68 3.587 1.881 -6.236 518 2HG1 ILE 68 2HG1 ILE 68 3.253 0.289 -6.882 519 1HG2 ILE 68 1HG2 ILE 68 3.851 3.908 -7.917 520 2HG2 ILE 68 2HG2 ILE 68 5.293 2.984 -8.318 521 3HG2 ILE 68 3HG2 ILE 68 4.176 3.396 -9.574 522 1HD1 ILE 68 1HD1 ILE 68 5.827 1.032 -7.807 523 2HD1 ILE 68 2HD1 ILE 68 5.757 1.322 -6.076 524 3HD1 ILE 68 3HD1 ILE 68 5.352 -0.251 -6.714 525 H THR 69 H THR 69 0.329 3.560 -7.267 526 HA THR 69 HA THR 69 1.075 6.005 -8.638 527 HB THR 69 HB THR 69 -1.560 4.616 -9.116 528 HG1 THR 69 HG1 THR 69 0.313 5.884 -10.867 529 1HG2 THR 69 1HG2 THR 69 -0.993 7.554 -9.419 530 2HG2 THR 69 2HG2 THR 69 -2.270 6.711 -10.304 531 3HG2 THR 69 3HG2 THR 69 -2.305 6.781 -8.562 No H/Q in entry = 531 Start of MODEL 15 1 H SER 1 H SER 1 9.462 8.200 -9.628 2 HA SER 1 HA SER 1 9.818 7.149 -7.566 3 1HB SER 1 1HB SER 1 10.229 4.785 -7.406 4 2HB SER 1 2HB SER 1 9.343 5.037 -8.905 5 HG SER 1 HG SER 1 11.527 5.150 -9.917 6 H ARG 2 H ARG 2 11.405 6.267 -5.986 7 HA ARG 2 HA ARG 2 14.243 6.919 -6.523 8 1HB ARG 2 1HB ARG 2 12.887 6.831 -3.821 9 2HB ARG 2 2HB ARG 2 14.622 6.986 -4.084 10 1HG ARG 2 1HG ARG 2 13.662 9.066 -5.581 11 2HG ARG 2 2HG ARG 2 12.474 8.982 -4.277 12 1HD ARG 2 1HD ARG 2 14.217 9.149 -2.629 13 2HD ARG 2 2HD ARG 2 15.463 9.122 -3.880 14 HE ARG 2 HE ARG 2 13.986 11.256 -4.601 15 1HH1 ARG 2 1HH1 ARG 2 15.428 10.318 -1.531 16 2HH1 ARG 2 2HH1 ARG 2 15.628 11.945 -1.011 17 1HH2 ARG 2 1HH2 ARG 2 14.272 13.397 -3.881 18 2HH2 ARG 2 2HH2 ARG 2 14.984 13.693 -2.330 19 H ARG 3 H ARG 3 13.555 4.750 -7.671 20 HA ARG 3 HA ARG 3 13.775 2.508 -7.810 21 1HB ARG 3 1HB ARG 3 16.035 3.491 -6.583 22 2HB ARG 3 2HB ARG 3 15.554 2.245 -5.453 23 1HG ARG 3 1HG ARG 3 16.966 1.128 -6.871 24 2HG ARG 3 2HG ARG 3 15.380 0.711 -7.517 25 1HD ARG 3 1HD ARG 3 15.971 3.011 -8.906 26 2HD ARG 3 2HD ARG 3 16.174 1.369 -9.473 27 HE ARG 3 HE ARG 3 18.471 1.437 -8.944 28 1HH1 ARG 3 1HH1 ARG 3 16.878 4.562 -8.583 29 2HH1 ARG 3 2HH1 ARG 3 18.353 5.436 -8.674 30 1HH2 ARG 3 1HH2 ARG 3 20.404 2.640 -9.048 31 2HH2 ARG 3 2HH2 ARG 3 20.348 4.367 -8.930 32 H CYS 4 H CYS 4 11.796 1.674 -7.282 33 HA CYS 4 HA CYS 4 11.363 1.002 -4.448 34 1HB CYS 4 1HB CYS 4 9.346 1.568 -6.612 35 2HB CYS 4 2HB CYS 4 8.931 0.949 -5.014 36 1HB PRO 5 1HB PRO 5 10.879 -4.425 -3.522 37 2HB PRO 5 2HB PRO 5 12.399 -3.541 -3.689 38 1HG PRO 5 1HG PRO 5 9.863 -2.674 -2.431 39 2HG PRO 5 2HG PRO 5 11.503 -2.464 -1.825 40 1HD PRO 5 1HD PRO 5 10.063 -0.511 -3.119 41 2HD PRO 5 2HD PRO 5 11.836 -0.593 -3.104 42 H GLY 6 H GLY 6 10.199 -5.169 -5.922 43 1HA GLY 6 1HA GLY 6 8.253 -6.249 -6.371 44 2HA GLY 6 2HA GLY 6 7.429 -5.100 -5.365 45 H LYS 7 H LYS 7 6.379 -6.202 -7.711 46 HA LYS 7 HA LYS 7 6.684 -4.798 -10.059 47 1HB LYS 7 1HB LYS 7 5.336 -6.837 -9.708 48 2HB LYS 7 2HB LYS 7 4.104 -5.878 -8.949 49 1HG LYS 7 1HG LYS 7 3.575 -4.766 -10.923 50 2HG LYS 7 2HG LYS 7 5.033 -5.320 -11.739 51 1HD LYS 7 1HD LYS 7 3.129 -7.386 -10.712 52 2HD LYS 7 2HD LYS 7 2.618 -6.443 -12.097 53 1HE LYS 7 1HE LYS 7 5.277 -7.840 -11.988 54 2HE LYS 7 2HE LYS 7 3.807 -8.595 -12.602 55 1HZ LYS 7 1HZ LYS 7 3.628 -6.843 -14.257 56 2HZ LYS 7 2HZ LYS 7 5.043 -6.115 -13.678 57 3HZ LYS 7 3HZ LYS 7 5.109 -7.646 -14.385 58 H ASN 8 H ASN 8 5.670 -2.987 -11.012 59 HA ASN 8 HA ASN 8 4.603 -1.022 -9.061 60 1HB ASN 8 1HB ASN 8 6.172 -0.664 -11.612 61 2HB ASN 8 2HB ASN 8 5.391 0.671 -10.771 62 2HD2 ASN 8 2HD2 ASN 8 6.733 1.786 -9.531 63 1HD2 ASN 8 1HD2 ASN 8 8.098 1.139 -8.698 64 H ALA 9 H ALA 9 3.522 -3.018 -11.457 65 HA ALA 9 HA ALA 9 1.066 -1.599 -11.729 66 1HB ALA 9 1HB ALA 9 2.750 -2.073 -14.176 67 2HB ALA 9 2HB ALA 9 1.088 -1.474 -14.172 68 3HB ALA 9 3HB ALA 9 2.380 -0.499 -13.472 69 H TRP 10 H TRP 10 -0.593 -3.026 -11.894 70 HA TRP 10 HA TRP 10 0.137 -5.806 -12.621 71 1HB TRP 10 1HB TRP 10 -1.773 -4.798 -10.538 72 2HB TRP 10 2HB TRP 10 -1.721 -6.463 -11.088 73 HD1 TRP 10 HD1 TRP 10 0.122 -8.012 -10.083 74 HE1 TRP 10 HE1 TRP 10 1.947 -7.684 -8.299 75 HE3 TRP 10 HE3 TRP 10 -0.127 -2.941 -9.569 76 HZ2 TRP 10 HZ2 TRP 10 3.119 -5.557 -6.864 77 HZ3 TRP 10 HZ3 TRP 10 1.369 -1.829 -7.973 78 HH2 TRP 10 HH2 TRP 10 2.956 -3.115 -6.637 79 1HB PRO 11 1HB PRO 11 -1.909 -5.717 -17.728 80 2HB PRO 11 2HB PRO 11 -1.550 -4.021 -17.402 81 1HG PRO 11 1HG PRO 11 -0.018 -6.458 -16.619 82 2HG PRO 11 2HG PRO 11 0.577 -4.891 -17.192 83 1HD PRO 11 1HD PRO 11 0.669 -5.561 -14.610 84 2HD PRO 11 2HD PRO 11 0.330 -3.894 -15.114 85 H GLU 12 H GLU 12 -1.652 -7.380 -15.063 86 HA GLU 12 HA GLU 12 -3.758 -8.906 -16.151 87 1HB GLU 12 1HB GLU 12 -2.861 -10.733 -14.649 88 2HB GLU 12 2HB GLU 12 -1.725 -10.012 -15.778 89 1HG GLU 12 1HG GLU 12 -1.765 -8.671 -13.172 90 2HG GLU 12 2HG GLU 12 -1.345 -10.379 -13.088 91 H LEU 13 H LEU 13 -3.776 -6.916 -13.389 92 HA LEU 13 HA LEU 13 -5.651 -8.497 -11.888 93 1HB LEU 13 1HB LEU 13 -4.504 -5.753 -11.596 94 2HB LEU 13 2HB LEU 13 -5.879 -6.211 -10.627 95 HG LEU 13 HG LEU 13 -3.142 -7.474 -10.600 96 1HD1 LEU 13 1HD1 LEU 13 -4.681 -5.808 -8.648 97 2HD1 LEU 13 2HD1 LEU 13 -3.310 -6.774 -8.164 98 3HD1 LEU 13 3HD1 LEU 13 -3.128 -5.485 -9.318 99 1HD2 LEU 13 1HD2 LEU 13 -5.753 -8.417 -9.513 100 2HD2 LEU 13 2HD2 LEU 13 -4.437 -9.322 -10.259 101 3HD2 LEU 13 3HD2 LEU 13 -4.278 -8.726 -8.627 102 H VAL 14 H VAL 14 -5.776 -6.200 -14.431 103 HA VAL 14 HA VAL 14 -8.304 -5.079 -14.042 104 HB VAL 14 HB VAL 14 -7.046 -5.779 -16.707 105 1HG1 VAL 14 1HG1 VAL 14 -9.117 -3.726 -15.922 106 2HG1 VAL 14 2HG1 VAL 14 -8.338 -3.816 -17.501 107 3HG1 VAL 14 3HG1 VAL 14 -9.360 -5.138 -16.950 108 1HG2 VAL 14 1HG2 VAL 14 -5.583 -4.431 -15.069 109 2HG2 VAL 14 2HG2 VAL 14 -5.877 -3.766 -16.662 110 3HG2 VAL 14 3HG2 VAL 14 -6.765 -3.156 -15.272 111 H GLY 15 H GLY 15 -10.155 -6.188 -13.731 112 1HA GLY 15 1HA GLY 15 -11.903 -7.415 -14.895 113 2HA GLY 15 2HA GLY 15 -10.690 -8.542 -15.472 114 H LYS 16 H LYS 16 -9.735 -7.891 -12.400 115 HA LYS 16 HA LYS 16 -11.193 -10.233 -11.362 116 1HB LYS 16 1HB LYS 16 -8.445 -9.307 -11.197 117 2HB LYS 16 2HB LYS 16 -9.087 -9.589 -9.596 118 1HG LYS 16 1HG LYS 16 -9.225 -11.589 -11.845 119 2HG LYS 16 2HG LYS 16 -7.927 -11.519 -10.651 120 1HD LYS 16 1HD LYS 16 -9.299 -12.173 -8.903 121 2HD LYS 16 2HD LYS 16 -10.778 -11.683 -9.729 122 1HE LYS 16 1HE LYS 16 -10.755 -13.541 -11.140 123 2HE LYS 16 2HE LYS 16 -9.080 -13.938 -10.752 124 1HZ LYS 16 1HZ LYS 16 -9.782 -14.492 -8.498 125 2HZ LYS 16 2HZ LYS 16 -11.391 -14.140 -8.893 126 3HZ LYS 16 3HZ LYS 16 -10.595 -15.430 -9.645 127 H SER 17 H SER 17 -11.020 -10.001 -8.716 128 HA SER 17 HA SER 17 -12.907 -7.881 -8.161 129 1HB SER 17 1HB SER 17 -13.348 -8.992 -6.149 130 2HB SER 17 2HB SER 17 -12.978 -10.308 -7.262 131 HG SER 17 HG SER 17 -11.880 -10.494 -5.242 132 H GLY 18 H GLY 18 -12.574 -6.099 -6.867 133 1HA GLY 18 1HA GLY 18 -10.111 -4.878 -6.730 134 2HA GLY 18 2HA GLY 18 -11.439 -4.513 -5.659 135 H ASN 19 H ASN 19 -11.455 -7.250 -4.541 136 HA ASN 19 HA ASN 19 -9.566 -6.803 -2.455 137 1HB ASN 19 1HB ASN 19 -11.918 -8.186 -2.633 138 2HB ASN 19 2HB ASN 19 -10.767 -9.514 -2.699 139 2HD2 ASN 19 2HD2 ASN 19 -11.937 -6.809 -0.799 140 1HD2 ASN 19 1HD2 ASN 19 -11.299 -7.370 0.705 141 H MET 20 H MET 20 -9.811 -9.217 -5.071 142 HA MET 20 HA MET 20 -7.408 -10.553 -4.389 143 1HB MET 20 1HB MET 20 -9.341 -11.295 -5.994 144 2HB MET 20 2HB MET 20 -8.474 -10.379 -7.202 145 1HG MET 20 1HG MET 20 -7.466 -12.318 -7.616 146 2HG MET 20 2HG MET 20 -6.427 -11.857 -6.272 147 1HE MET 20 1HE MET 20 -7.466 -12.427 -3.658 148 2HE MET 20 2HE MET 20 -9.157 -12.246 -4.127 149 3HE MET 20 3HE MET 20 -8.597 -13.743 -3.399 150 H ALA 21 H ALA 21 -8.122 -7.688 -6.228 151 HA ALA 21 HA ALA 21 -5.632 -7.447 -7.528 152 1HB ALA 21 1HB ALA 21 -7.814 -5.511 -6.878 153 2HB ALA 21 2HB ALA 21 -6.336 -4.982 -7.678 154 3HB ALA 21 3HB ALA 21 -7.372 -6.187 -8.443 155 H ALA 22 H ALA 22 -6.922 -5.611 -4.758 156 HA ALA 22 HA ALA 22 -4.537 -4.378 -4.023 157 1HB ALA 22 1HB ALA 22 -5.686 -4.505 -1.630 158 2HB ALA 22 2HB ALA 22 -6.297 -3.478 -2.918 159 3HB ALA 22 3HB ALA 22 -7.067 -5.031 -2.596 160 H ALA 23 H ALA 23 -5.777 -7.582 -3.263 161 HA ALA 23 HA ALA 23 -3.853 -8.255 -1.291 162 1HB ALA 23 1HB ALA 23 -5.419 -10.069 -3.131 163 2HB ALA 23 2HB ALA 23 -4.579 -10.553 -1.655 164 3HB ALA 23 3HB ALA 23 -5.963 -9.465 -1.567 165 H THR 24 H THR 24 -4.020 -8.798 -4.803 166 HA THR 24 HA THR 24 -1.658 -10.287 -5.062 167 HB THR 24 HB THR 24 -2.916 -8.383 -7.037 168 HG1 THR 24 HG1 THR 24 -3.778 -10.463 -7.848 169 1HG2 THR 24 1HG2 THR 24 -0.940 -10.607 -7.458 170 2HG2 THR 24 2HG2 THR 24 -1.889 -9.865 -8.745 171 3HG2 THR 24 3HG2 THR 24 -0.733 -8.896 -7.839 172 H VAL 25 H VAL 25 -2.218 -6.794 -5.061 173 HA VAL 25 HA VAL 25 0.432 -6.061 -5.761 174 HB VAL 25 HB VAL 25 -1.472 -4.387 -4.109 175 1HG1 VAL 25 1HG1 VAL 25 1.132 -3.924 -5.170 176 2HG1 VAL 25 2HG1 VAL 25 -0.007 -2.899 -6.035 177 3HG1 VAL 25 3HG1 VAL 25 0.078 -2.840 -4.293 178 1HG2 VAL 25 1HG2 VAL 25 -1.589 -5.169 -6.980 179 2HG2 VAL 25 2HG2 VAL 25 -2.866 -4.794 -5.832 180 3HG2 VAL 25 3HG2 VAL 25 -1.965 -3.495 -6.569 181 H GLU 26 H GLU 26 -1.202 -6.035 -2.576 182 HA GLU 26 HA GLU 26 1.128 -5.381 -1.113 183 1HB GLU 26 1HB GLU 26 -0.101 -5.966 0.847 184 2HB GLU 26 2HB GLU 26 -1.232 -6.951 -0.071 185 1HG GLU 26 1HG GLU 26 -1.293 -4.316 -1.176 186 2HG GLU 26 2HG GLU 26 -2.561 -5.237 -0.375 187 H ARG 27 H ARG 27 -0.057 -8.432 -2.357 188 HA ARG 27 HA ARG 27 1.667 -10.026 -0.673 189 1HB ARG 27 1HB ARG 27 -0.601 -10.672 -1.814 190 2HB ARG 27 2HB ARG 27 0.401 -11.066 -3.201 191 1HG ARG 27 1HG ARG 27 1.722 -12.543 -1.619 192 2HG ARG 27 2HG ARG 27 0.452 -12.244 -0.430 193 1HD ARG 27 1HD ARG 27 -0.007 -14.314 -1.548 194 2HD ARG 27 2HD ARG 27 -1.208 -13.126 -2.055 195 HE ARG 27 HE ARG 27 0.969 -13.149 -3.870 196 1HH1 ARG 27 1HH1 ARG 27 -1.806 -15.077 -2.909 197 2HH1 ARG 27 2HH1 ARG 27 -1.966 -15.812 -4.461 198 1HH2 ARG 27 1HH2 ARG 27 0.735 -14.132 -5.907 199 2HH2 ARG 27 2HH2 ARG 27 -0.532 -15.285 -6.162 200 H GLU 28 H GLU 28 1.532 -9.398 -4.195 201 HA GLU 28 HA GLU 28 4.045 -10.586 -4.745 202 1HB GLU 28 1HB GLU 28 2.511 -8.482 -6.289 203 2HB GLU 28 2HB GLU 28 3.908 -9.364 -6.903 204 1HG GLU 28 1HG GLU 28 2.472 -11.471 -6.329 205 2HG GLU 28 2HG GLU 28 1.132 -10.338 -6.380 206 H ASN 29 H ASN 29 3.080 -7.348 -3.786 207 HA ASN 29 HA ASN 29 5.936 -6.597 -3.621 208 1HB ASN 29 1HB ASN 29 4.763 -5.416 -5.451 209 2HB ASN 29 2HB ASN 29 3.616 -4.770 -4.290 210 2HD2 ASN 29 2HD2 ASN 29 5.577 -3.438 -6.065 211 1HD2 ASN 29 1HD2 ASN 29 6.563 -2.484 -5.019 212 H ARG 30 H ARG 30 5.801 -7.456 -1.461 213 HA ARG 30 HA ARG 30 4.033 -6.462 0.506 214 1HB ARG 30 1HB ARG 30 6.562 -8.012 0.466 215 2HB ARG 30 2HB ARG 30 6.217 -7.178 1.967 216 1HG ARG 30 1HG ARG 30 3.854 -8.562 1.023 217 2HG ARG 30 2HG ARG 30 5.235 -9.649 1.089 218 1HD ARG 30 1HD ARG 30 4.902 -7.871 3.441 219 2HD ARG 30 2HD ARG 30 3.632 -9.061 3.169 220 HE ARG 30 HE ARG 30 6.241 -10.221 2.986 221 1HH1 ARG 30 1HH1 ARG 30 3.766 -9.172 5.254 222 2HH1 ARG 30 2HH1 ARG 30 4.287 -10.258 6.485 223 1HH2 ARG 30 1HH2 ARG 30 6.905 -11.645 4.635 224 2HH2 ARG 30 2HH2 ARG 30 6.062 -11.655 6.149 225 H ASN 31 H ASN 31 6.273 -4.653 -1.158 226 HA ASN 31 HA ASN 31 6.977 -3.005 1.156 227 1HB ASN 31 1HB ASN 31 8.782 -3.687 -0.373 228 2HB ASN 31 2HB ASN 31 7.950 -2.876 -1.695 229 2HD2 ASN 31 2HD2 ASN 31 9.689 -2.426 1.312 230 1HD2 ASN 31 1HD2 ASN 31 10.034 -0.751 1.066 231 H VAL 32 H VAL 32 4.446 -3.196 -0.965 232 HA VAL 32 HA VAL 32 4.013 -0.288 -0.810 233 HB VAL 32 HB VAL 32 3.003 -0.251 -2.960 234 1HG1 VAL 32 1HG1 VAL 32 5.674 -1.640 -2.957 235 2HG1 VAL 32 2HG1 VAL 32 4.928 -1.024 -4.413 236 3HG1 VAL 32 3HG1 VAL 32 5.344 0.058 -3.100 237 1HG2 VAL 32 1HG2 VAL 32 3.261 -3.222 -2.865 238 2HG2 VAL 32 2HG2 VAL 32 1.848 -2.245 -3.194 239 3HG2 VAL 32 3HG2 VAL 32 3.116 -2.385 -4.401 240 H HIS 33 H HIS 33 1.671 0.275 -1.120 241 HA HIS 33 HA HIS 33 -0.089 -1.781 -0.005 242 1HB HIS 33 1HB HIS 33 -0.154 -0.682 1.933 243 2HB HIS 33 2HB HIS 33 0.782 0.657 1.288 244 HD1 HIS 33 HD1 HIS 33 -2.694 -0.412 2.071 245 HD2 HIS 33 HD2 HIS 33 -0.740 2.873 0.456 246 HE1 HIS 33 HE1 HIS 33 -4.397 1.438 2.032 247 HE2 HIS 33 HE2 HIS 33 -3.086 3.453 1.312 248 H ALA 34 H ALA 34 -1.879 -2.061 -1.178 249 HA ALA 34 HA ALA 34 -2.558 -0.009 -3.173 250 1HB ALA 34 1HB ALA 34 -3.424 -2.882 -2.995 251 2HB ALA 34 2HB ALA 34 -3.794 -1.761 -4.308 252 3HB ALA 34 3HB ALA 34 -2.128 -2.255 -4.008 253 H ILE 35 H ILE 35 -4.474 1.015 -3.244 254 HA ILE 35 HA ILE 35 -6.354 0.501 -1.019 255 HB ILE 35 HB ILE 35 -6.129 3.040 -2.640 256 1HG1 ILE 35 1HG1 ILE 35 -4.983 2.507 0.085 257 2HG1 ILE 35 2HG1 ILE 35 -4.005 2.544 -1.376 258 1HG2 ILE 35 1HG2 ILE 35 -8.278 2.643 -1.510 259 2HG2 ILE 35 2HG2 ILE 35 -7.429 2.449 0.021 260 3HG2 ILE 35 3HG2 ILE 35 -7.421 4.000 -0.810 261 1HD1 ILE 35 1HD1 ILE 35 -5.628 4.857 -0.327 262 2HD1 ILE 35 2HD1 ILE 35 -3.908 4.628 -0.095 263 3HD1 ILE 35 3HD1 ILE 35 -4.539 4.850 -1.707 264 H VAL 36 H VAL 36 -8.204 -0.452 -1.591 265 HA VAL 36 HA VAL 36 -9.014 -0.550 -4.372 266 HB VAL 36 HB VAL 36 -10.337 -1.705 -1.926 267 1HG1 VAL 36 1HG1 VAL 36 -10.890 -2.061 -4.866 268 2HG1 VAL 36 2HG1 VAL 36 -11.479 -3.167 -3.633 269 3HG1 VAL 36 3HG1 VAL 36 -11.990 -1.486 -3.621 270 1HG2 VAL 36 1HG2 VAL 36 -8.517 -2.974 -3.974 271 2HG2 VAL 36 2HG2 VAL 36 -8.146 -2.658 -2.279 272 3HG2 VAL 36 3HG2 VAL 36 -9.381 -3.837 -2.700 273 H LEU 37 H LEU 37 -10.142 1.006 -5.269 274 HA LEU 37 HA LEU 37 -12.283 2.327 -3.723 275 1HB LEU 37 1HB LEU 37 -11.580 4.409 -5.062 276 2HB LEU 37 2HB LEU 37 -10.714 3.985 -3.616 277 HG LEU 37 HG LEU 37 -9.093 2.748 -5.315 278 1HD1 LEU 37 1HD1 LEU 37 -10.490 3.179 -7.280 279 2HD1 LEU 37 2HD1 LEU 37 -10.300 4.896 -7.043 280 3HD1 LEU 37 3HD1 LEU 37 -8.903 3.892 -7.425 281 1HD2 LEU 37 1HD2 LEU 37 -9.217 5.623 -4.541 282 2HD2 LEU 37 2HD2 LEU 37 -8.134 4.340 -4.004 283 3HD2 LEU 37 3HD2 LEU 37 -7.956 5.038 -5.617 284 H LYS 38 H LYS 38 -13.984 3.186 -5.021 285 HA LYS 38 HA LYS 38 -14.337 1.649 -7.474 286 1HB LYS 38 1HB LYS 38 -16.038 2.255 -5.430 287 2HB LYS 38 2HB LYS 38 -16.495 3.473 -6.611 288 1HG LYS 38 1HG LYS 38 -16.702 1.562 -8.265 289 2HG LYS 38 2HG LYS 38 -16.565 0.479 -6.885 290 1HD LYS 38 1HD LYS 38 -18.538 2.701 -6.672 291 2HD LYS 38 2HD LYS 38 -18.881 1.451 -7.856 292 1HE LYS 38 1HE LYS 38 -19.887 0.510 -6.059 293 2HE LYS 38 2HE LYS 38 -18.278 -0.157 -5.811 294 1HZ LYS 38 1HZ LYS 38 -19.369 2.291 -4.513 295 2HZ LYS 38 2HZ LYS 38 -19.187 0.775 -3.785 296 3HZ LYS 38 3HZ LYS 38 -17.822 1.649 -4.261 297 H GLU 39 H GLU 39 -15.074 2.565 -9.434 298 HA GLU 39 HA GLU 39 -13.598 4.598 -10.496 299 1HB GLU 39 1HB GLU 39 -15.361 2.898 -11.532 300 2HB GLU 39 2HB GLU 39 -16.399 4.316 -11.500 301 1HG GLU 39 1HG GLU 39 -14.954 5.515 -12.939 302 2HG GLU 39 2HG GLU 39 -13.671 4.318 -12.772 303 H GLY 40 H GLY 40 -13.402 6.683 -10.052 304 1HA GLY 40 1HA GLY 40 -14.357 8.860 -10.093 305 2HA GLY 40 2HA GLY 40 -15.852 8.227 -9.436 306 H SER 41 H SER 41 -13.348 6.766 -7.780 307 HA SER 41 HA SER 41 -13.907 8.190 -5.391 308 1HB SER 41 1HB SER 41 -13.210 5.826 -5.420 309 2HB SER 41 2HB SER 41 -11.617 6.309 -6.007 310 HG SER 41 HG SER 41 -12.800 6.799 -3.487 311 H ALA 42 H ALA 42 -11.502 8.558 -4.131 312 HA ALA 42 HA ALA 42 -10.556 11.012 -5.397 313 1HB ALA 42 1HB ALA 42 -9.482 11.443 -3.256 314 2HB ALA 42 2HB ALA 42 -11.190 11.062 -3.044 315 3HB ALA 42 3HB ALA 42 -9.965 9.848 -2.674 316 H MET 43 H MET 43 -9.107 10.526 -6.969 317 HA MET 43 HA MET 43 -6.794 8.893 -6.177 318 1HB MET 43 1HB MET 43 -6.706 8.486 -8.763 319 2HB MET 43 2HB MET 43 -7.624 7.466 -7.691 320 1HG MET 43 1HG MET 43 -9.665 8.314 -8.320 321 2HG MET 43 2HG MET 43 -8.978 9.805 -8.963 322 1HE MET 43 1HE MET 43 -6.913 9.432 -10.711 323 2HE MET 43 2HE MET 43 -6.479 7.720 -10.732 324 3HE MET 43 3HE MET 43 -7.166 8.474 -12.167 325 H THR 44 H THR 44 -5.363 10.417 -5.701 326 HA THR 44 HA THR 44 -5.048 12.796 -7.267 327 HB THR 44 HB THR 44 -3.235 13.327 -5.809 328 HG1 THR 44 HG1 THR 44 -2.123 11.873 -4.706 329 1HG2 THR 44 1HG2 THR 44 -5.516 13.370 -4.775 330 2HG2 THR 44 2HG2 THR 44 -5.143 11.798 -4.066 331 3HG2 THR 44 3HG2 THR 44 -4.173 13.207 -3.646 332 H LYS 45 H LYS 45 -3.143 13.362 -8.459 333 HA LYS 45 HA LYS 45 -2.226 11.180 -10.133 334 1HB LYS 45 1HB LYS 45 -2.001 14.167 -10.176 335 2HB LYS 45 2HB LYS 45 -0.849 13.226 -11.106 336 1HG LYS 45 1HG LYS 45 -2.391 13.497 -12.696 337 2HG LYS 45 2HG LYS 45 -3.011 12.012 -11.997 338 1HD LYS 45 1HD LYS 45 -4.942 12.996 -11.564 339 2HD LYS 45 2HD LYS 45 -4.147 14.142 -10.490 340 1HE LYS 45 1HE LYS 45 -3.619 15.060 -13.111 341 2HE LYS 45 2HE LYS 45 -5.303 14.543 -13.097 342 1HZ LYS 45 1HZ LYS 45 -4.074 16.441 -11.173 343 2HZ LYS 45 2HZ LYS 45 -5.055 16.859 -12.484 344 3HZ LYS 45 3HZ LYS 45 -5.700 15.967 -11.199 345 H ASP 46 H ASP 46 -1.023 13.015 -7.447 346 HA ASP 46 HA ASP 46 1.675 12.927 -7.677 347 1HB ASP 46 1HB ASP 46 -0.087 13.390 -5.602 348 2HB ASP 46 2HB ASP 46 0.765 11.965 -5.026 349 H PHE 47 H PHE 47 3.327 11.454 -7.411 350 HA PHE 47 HA PHE 47 2.548 8.665 -7.778 351 1HB PHE 47 1HB PHE 47 4.199 9.625 -9.279 352 2HB PHE 47 2HB PHE 47 5.256 9.996 -7.919 353 HD1 PHE 47 HD1 PHE 47 3.695 7.240 -9.832 354 HD2 PHE 47 HD2 PHE 47 6.692 8.346 -7.014 355 HE1 PHE 47 HE1 PHE 47 4.680 5.009 -10.006 356 HE2 PHE 47 HE2 PHE 47 7.681 6.116 -7.190 357 HZ PHE 47 HZ PHE 47 6.666 4.421 -8.667 358 H ARG 48 H ARG 48 2.814 7.076 -6.357 359 HA ARG 48 HA ARG 48 4.582 7.339 -4.061 360 1HB ARG 48 1HB ARG 48 1.591 7.385 -3.863 361 2HB ARG 48 2HB ARG 48 2.499 6.550 -2.613 362 1HG ARG 48 1HG ARG 48 3.589 8.499 -1.921 363 2HG ARG 48 2HG ARG 48 3.111 9.389 -3.358 364 1HD ARG 48 1HD ARG 48 0.673 8.691 -2.377 365 2HD ARG 48 2HD ARG 48 1.507 10.216 -2.099 366 HE ARG 48 HE ARG 48 2.163 8.131 -0.203 367 1HH1 ARG 48 1HH1 ARG 48 -0.031 10.782 -0.938 368 2HH1 ARG 48 2HH1 ARG 48 -0.464 11.015 0.711 369 1HH2 ARG 48 1HH2 ARG 48 1.563 8.465 1.964 370 2HH2 ARG 48 2HH2 ARG 48 0.427 9.711 2.360 371 H CYS 49 H CYS 49 5.670 5.495 -4.188 372 HA CYS 49 HA CYS 49 4.849 3.199 -5.534 373 1HB CYS 49 1HB CYS 49 6.891 3.467 -3.334 374 2HB CYS 49 2HB CYS 49 6.730 2.060 -4.380 375 H ASP 50 H ASP 50 4.527 4.080 -2.137 376 HA ASP 50 HA ASP 50 3.534 1.489 -1.374 377 1HB ASP 50 1HB ASP 50 4.773 2.862 0.215 378 2HB ASP 50 2HB ASP 50 3.158 2.512 0.821 379 H ARG 51 H ARG 51 2.090 3.910 -3.137 380 HA ARG 51 HA ARG 51 -0.563 3.183 -2.106 381 1HB ARG 51 1HB ARG 51 0.145 5.558 -1.694 382 2HB ARG 51 2HB ARG 51 0.150 5.790 -3.439 383 1HG ARG 51 1HG ARG 51 -2.303 4.919 -3.311 384 2HG ARG 51 2HG ARG 51 -2.151 5.272 -1.589 385 1HD ARG 51 1HD ARG 51 -3.078 7.196 -2.531 386 2HD ARG 51 2HD ARG 51 -1.386 7.576 -2.272 387 HE ARG 51 HE ARG 51 -2.165 6.603 -4.924 388 1HH1 ARG 51 1HH1 ARG 51 -1.343 9.371 -2.904 389 2HH1 ARG 51 2HH1 ARG 51 -0.933 10.354 -4.249 390 1HH2 ARG 51 1HH2 ARG 51 -1.713 7.988 -6.677 391 2HH2 ARG 51 2HH2 ARG 51 -1.163 9.595 -6.386 392 H VAL 52 H VAL 52 -1.399 1.766 -3.481 393 HA VAL 52 HA VAL 52 -1.104 2.267 -6.385 394 HB VAL 52 HB VAL 52 -1.690 -0.329 -4.970 395 1HG1 VAL 52 1HG1 VAL 52 -1.558 0.388 -7.867 396 2HG1 VAL 52 2HG1 VAL 52 -1.298 -1.261 -7.308 397 3HG1 VAL 52 3HG1 VAL 52 -2.830 -0.457 -7.001 398 1HG2 VAL 52 1HG2 VAL 52 0.765 0.908 -5.282 399 2HG2 VAL 52 2HG2 VAL 52 0.475 -0.794 -4.975 400 3HG2 VAL 52 3HG2 VAL 52 0.692 -0.224 -6.624 401 H TRP 53 H TRP 53 -2.890 3.048 -7.330 402 HA TRP 53 HA TRP 53 -5.406 3.065 -5.931 403 1HB TRP 53 1HB TRP 53 -4.571 4.033 -8.660 404 2HB TRP 53 2HB TRP 53 -6.233 4.141 -8.109 405 HD1 TRP 53 HD1 TRP 53 -4.004 6.552 -8.817 406 HE1 TRP 53 HE1 TRP 53 -3.909 8.505 -7.142 407 HE3 TRP 53 HE3 TRP 53 -6.101 4.259 -4.778 408 HZ2 TRP 53 HZ2 TRP 53 -4.614 8.987 -4.446 409 HZ3 TRP 53 HZ3 TRP 53 -6.370 5.521 -2.700 410 HH2 TRP 53 HH2 TRP 53 -5.637 7.845 -2.532 411 H VAL 54 H VAL 54 -6.979 1.592 -6.037 412 HA VAL 54 HA VAL 54 -6.961 -0.302 -8.321 413 HB VAL 54 HB VAL 54 -7.549 -0.733 -5.405 414 1HG1 VAL 54 1HG1 VAL 54 -8.531 -2.297 -7.751 415 2HG1 VAL 54 2HG1 VAL 54 -8.135 -3.127 -6.249 416 3HG1 VAL 54 3HG1 VAL 54 -9.359 -1.879 -6.259 417 1HG2 VAL 54 1HG2 VAL 54 -5.221 -0.977 -6.266 418 2HG2 VAL 54 2HG2 VAL 54 -5.899 -2.421 -5.518 419 3HG2 VAL 54 3HG2 VAL 54 -5.809 -2.303 -7.268 420 H ILE 55 H ILE 55 -8.374 0.974 -9.540 421 HA ILE 55 HA ILE 55 -10.905 1.811 -8.470 422 HB ILE 55 HB ILE 55 -10.120 1.776 -11.353 423 1HG1 ILE 55 1HG1 ILE 55 -9.728 4.035 -9.400 424 2HG1 ILE 55 2HG1 ILE 55 -8.427 2.973 -9.895 425 1HG2 ILE 55 1HG2 ILE 55 -12.152 3.331 -9.780 426 2HG2 ILE 55 2HG2 ILE 55 -11.717 3.707 -11.447 427 3HG2 ILE 55 3HG2 ILE 55 -12.455 2.159 -11.062 428 1HD1 ILE 55 1HD1 ILE 55 -9.402 3.820 -12.293 429 2HD1 ILE 55 2HD1 ILE 55 -9.652 5.223 -11.258 430 3HD1 ILE 55 3HD1 ILE 55 -8.045 4.524 -11.421 431 H VAL 56 H VAL 56 -12.725 0.697 -8.389 432 HA VAL 56 HA VAL 56 -13.030 -1.628 -10.156 433 HB VAL 56 HB VAL 56 -14.232 -2.770 -8.384 434 1HG1 VAL 56 1HG1 VAL 56 -11.448 -2.303 -8.436 435 2HG1 VAL 56 2HG1 VAL 56 -11.933 -2.340 -6.749 436 3HG1 VAL 56 3HG1 VAL 56 -12.317 -3.692 -7.802 437 1HG2 VAL 56 1HG2 VAL 56 -13.557 -0.358 -6.723 438 2HG2 VAL 56 2HG2 VAL 56 -15.154 -0.955 -7.146 439 3HG2 VAL 56 3HG2 VAL 56 -14.140 -1.878 -6.057 440 H ASN 57 H ASN 57 -15.306 -2.322 -10.435 441 HA ASN 57 HA ASN 57 -16.925 0.015 -11.056 442 1HB ASN 57 1HB ASN 57 -18.365 -1.532 -12.249 443 2HB ASN 57 2HB ASN 57 -16.687 -1.823 -12.675 444 2HD2 ASN 57 2HD2 ASN 57 -17.517 -3.893 -13.423 445 1HD2 ASN 57 1HD2 ASN 57 -17.712 -5.169 -12.275 446 H ASP 58 H ASP 58 -19.439 -0.579 -10.780 447 HA ASP 58 HA ASP 58 -20.079 -0.097 -8.139 448 1HB ASP 58 1HB ASP 58 -22.424 -0.791 -8.805 449 2HB ASP 58 2HB ASP 58 -21.666 0.447 -9.800 450 H HIS 59 H HIS 59 -19.490 -3.164 -9.680 451 HA HIS 59 HA HIS 59 -20.696 -4.664 -7.507 452 1HB HIS 59 1HB HIS 59 -20.815 -5.420 -9.884 453 2HB HIS 59 2HB HIS 59 -19.075 -5.684 -9.856 454 HD1 HIS 59 HD1 HIS 59 -18.371 -7.966 -9.188 455 HD2 HIS 59 HD2 HIS 59 -22.187 -7.059 -7.817 456 HE1 HIS 59 HE1 HIS 59 -19.211 -10.072 -8.102 457 HE2 HIS 59 HE2 HIS 59 -21.563 -9.530 -7.372 458 H GLY 60 H GLY 60 -17.563 -3.437 -8.382 459 1HA GLY 60 1HA GLY 60 -15.906 -3.286 -6.670 460 2HA GLY 60 2HA GLY 60 -16.411 -4.843 -6.050 461 H VAL 61 H VAL 61 -16.122 -4.371 -9.492 462 HA VAL 61 HA VAL 61 -13.884 -6.260 -9.545 463 HB VAL 61 HB VAL 61 -15.607 -5.252 -11.807 464 1HG1 VAL 61 1HG1 VAL 61 -13.401 -5.998 -12.548 465 2HG1 VAL 61 2HG1 VAL 61 -13.658 -7.532 -11.719 466 3HG1 VAL 61 3HG1 VAL 61 -14.670 -7.086 -13.084 467 1HG2 VAL 61 1HG2 VAL 61 -15.748 -7.842 -10.273 468 2HG2 VAL 61 2HG2 VAL 61 -16.935 -6.537 -10.216 469 3HG2 VAL 61 3HG2 VAL 61 -16.699 -7.448 -11.706 470 H VAL 62 H VAL 62 -11.871 -5.676 -10.268 471 HA VAL 62 HA VAL 62 -11.240 -2.913 -10.429 472 HB VAL 62 HB VAL 62 -9.516 -5.279 -11.164 473 1HG1 VAL 62 1HG1 VAL 62 -8.878 -2.359 -10.757 474 2HG1 VAL 62 2HG1 VAL 62 -7.660 -3.630 -10.658 475 3HG1 VAL 62 3HG1 VAL 62 -8.537 -3.374 -12.161 476 1HG2 VAL 62 1HG2 VAL 62 -10.406 -4.260 -8.624 477 2HG2 VAL 62 2HG2 VAL 62 -9.476 -5.696 -8.990 478 3HG2 VAL 62 3HG2 VAL 62 -8.665 -4.156 -8.746 479 H THR 63 H THR 63 -11.727 -1.659 -12.111 480 HA THR 63 HA THR 63 -11.830 -2.824 -14.813 481 HB THR 63 HB THR 63 -12.995 -0.798 -15.448 482 HG1 THR 63 HG1 THR 63 -13.148 0.913 -14.158 483 1HG2 THR 63 1HG2 THR 63 -14.373 -2.540 -14.460 484 2HG2 THR 63 2HG2 THR 63 -14.103 -1.851 -12.858 485 3HG2 THR 63 3HG2 THR 63 -14.986 -0.932 -14.077 486 H SER 64 H SER 64 -10.036 -0.515 -12.861 487 HA SER 64 HA SER 64 -8.476 0.297 -15.220 488 1HB SER 64 1HB SER 64 -9.495 1.845 -13.273 489 2HB SER 64 2HB SER 64 -7.916 1.518 -12.561 490 HG SER 64 HG SER 64 -7.730 3.310 -13.856 491 H VAL 65 H VAL 65 -6.265 0.110 -15.285 492 HA VAL 65 HA VAL 65 -5.148 -2.234 -14.203 493 HB VAL 65 HB VAL 65 -3.602 0.085 -15.325 494 1HG1 VAL 65 1HG1 VAL 65 -2.922 -2.637 -14.508 495 2HG1 VAL 65 2HG1 VAL 65 -2.395 -2.250 -16.148 496 3HG1 VAL 65 3HG1 VAL 65 -1.905 -1.238 -14.799 497 1HG2 VAL 65 1HG2 VAL 65 -5.519 -1.678 -16.637 498 2HG2 VAL 65 2HG2 VAL 65 -4.773 -0.193 -17.177 499 3HG2 VAL 65 3HG2 VAL 65 -3.932 -1.716 -17.391 500 1HB PRO 66 1HB PRO 66 -3.514 -2.563 -8.921 501 2HB PRO 66 2HB PRO 66 -5.178 -2.018 -9.136 502 1HG PRO 66 1HG PRO 66 -3.643 -3.988 -10.766 503 2HG PRO 66 2HG PRO 66 -5.292 -4.109 -10.128 504 1HD PRO 66 1HD PRO 66 -4.797 -3.445 -12.674 505 2HD PRO 66 2HD PRO 66 -6.135 -2.745 -11.772 506 H HIS 67 H HIS 67 -2.354 0.867 -10.464 507 HA HIS 67 HA HIS 67 0.155 -0.646 -10.400 508 1HB HIS 67 1HB HIS 67 1.154 0.786 -12.104 509 2HB HIS 67 2HB HIS 67 -0.263 -0.019 -12.751 510 HD1 HIS 67 HD1 HIS 67 0.600 2.382 -14.246 511 HD2 HIS 67 HD2 HIS 67 -1.967 2.649 -10.995 512 HE1 HIS 67 HE1 HIS 67 -0.617 4.566 -14.513 513 HE2 HIS 67 HE2 HIS 67 -2.208 4.665 -12.563 514 H ILE 68 H ILE 68 1.869 0.361 -9.444 515 HA ILE 68 HA ILE 68 1.495 1.858 -7.220 516 HB ILE 68 HB ILE 68 3.771 1.072 -8.852 517 1HG1 ILE 68 1HG1 ILE 68 3.548 1.718 -5.933 518 2HG1 ILE 68 2HG1 ILE 68 3.144 0.174 -6.632 519 1HG2 ILE 68 1HG2 ILE 68 3.949 3.798 -7.580 520 2HG2 ILE 68 2HG2 ILE 68 5.356 2.806 -7.916 521 3HG2 ILE 68 3HG2 ILE 68 4.330 3.280 -9.224 522 1HD1 ILE 68 1HD1 ILE 68 5.874 1.134 -7.222 523 2HD1 ILE 68 2HD1 ILE 68 5.521 0.715 -5.561 524 3HD1 ILE 68 3HD1 ILE 68 5.266 -0.463 -6.832 525 H THR 69 H THR 69 0.561 3.765 -6.962 526 HA THR 69 HA THR 69 1.528 6.110 -8.314 527 HB THR 69 HB THR 69 -1.140 4.926 -9.064 528 HG1 THR 69 HG1 THR 69 1.009 6.044 -10.572 529 1HG2 THR 69 1HG2 THR 69 -0.361 7.821 -9.155 530 2HG2 THR 69 2HG2 THR 69 -1.500 7.118 -10.301 531 3HG2 THR 69 3HG2 THR 69 -1.854 7.087 -8.585 No H/Q in entry = 531 Start of MODEL 16 1 H SER 1 H SER 1 18.278 7.276 -8.434 2 HA SER 1 HA SER 1 15.743 7.357 -6.860 3 1HB SER 1 1HB SER 1 17.149 9.375 -7.448 4 2HB SER 1 2HB SER 1 16.701 9.191 -9.150 5 HG SER 1 HG SER 1 15.401 10.669 -7.830 6 H ARG 2 H ARG 2 13.604 7.567 -7.741 7 HA ARG 2 HA ARG 2 11.732 6.640 -8.628 8 1HB ARG 2 1HB ARG 2 13.360 7.135 -11.124 9 2HB ARG 2 2HB ARG 2 11.685 6.598 -11.169 10 1HG ARG 2 1HG ARG 2 11.455 8.723 -9.538 11 2HG ARG 2 2HG ARG 2 12.834 9.233 -10.499 12 1HD ARG 2 1HD ARG 2 11.178 10.035 -11.830 13 2HD ARG 2 2HD ARG 2 11.306 8.413 -12.510 14 HE ARG 2 HE ARG 2 9.164 8.070 -11.850 15 1HH1 ARG 2 1HH1 ARG 2 10.533 10.537 -9.739 16 2HH1 ARG 2 2HH1 ARG 2 9.068 10.750 -8.872 17 1HH2 ARG 2 1HH2 ARG 2 7.223 8.413 -10.685 18 2HH2 ARG 2 2HH2 ARG 2 7.187 9.614 -9.436 19 H ARG 3 H ARG 3 12.852 4.693 -7.452 20 HA ARG 3 HA ARG 3 12.311 2.383 -9.104 21 1HB ARG 3 1HB ARG 3 14.683 2.923 -9.661 22 2HB ARG 3 2HB ARG 3 15.112 2.685 -7.973 23 1HG ARG 3 1HG ARG 3 13.634 0.437 -9.195 24 2HG ARG 3 2HG ARG 3 15.195 0.782 -9.928 25 1HD ARG 3 1HD ARG 3 14.790 0.418 -6.971 26 2HD ARG 3 2HD ARG 3 15.224 -0.871 -8.063 27 HE ARG 3 HE ARG 3 17.257 0.381 -8.623 28 1HH1 ARG 3 1HH1 ARG 3 15.657 1.064 -5.555 29 2HH1 ARG 3 2HH1 ARG 3 17.097 1.643 -4.819 30 1HH2 ARG 3 1HH2 ARG 3 19.135 1.179 -7.612 31 2HH2 ARG 3 2HH2 ARG 3 19.061 1.726 -5.970 32 H CYS 4 H CYS 4 10.811 1.703 -7.634 33 HA CYS 4 HA CYS 4 11.748 1.272 -4.886 34 1HB CYS 4 1HB CYS 4 9.521 1.514 -4.115 35 2HB CYS 4 2HB CYS 4 8.880 1.456 -5.762 36 1HB PRO 5 1HB PRO 5 10.204 -3.153 -2.659 37 2HB PRO 5 2HB PRO 5 11.701 -3.920 -3.191 38 1HG PRO 5 1HG PRO 5 11.698 -1.790 -1.571 39 2HG PRO 5 2HG PRO 5 12.956 -2.033 -2.799 40 1HD PRO 5 1HD PRO 5 10.627 -0.172 -2.824 41 2HD PRO 5 2HD PRO 5 12.264 0.043 -3.452 42 H GLY 6 H GLY 6 10.188 -4.823 -5.706 43 1HA GLY 6 1HA GLY 6 8.209 -5.917 -6.070 44 2HA GLY 6 2HA GLY 6 7.366 -4.631 -5.265 45 H LYS 7 H LYS 7 6.172 -5.697 -7.363 46 HA LYS 7 HA LYS 7 6.830 -4.554 -9.883 47 1HB LYS 7 1HB LYS 7 5.527 -6.598 -9.576 48 2HB LYS 7 2HB LYS 7 4.218 -5.675 -8.893 49 1HG LYS 7 1HG LYS 7 3.758 -4.592 -10.905 50 2HG LYS 7 2HG LYS 7 5.258 -5.150 -11.650 51 1HD LYS 7 1HD LYS 7 3.209 -7.125 -10.663 52 2HD LYS 7 2HD LYS 7 2.980 -6.321 -12.201 53 1HE LYS 7 1HE LYS 7 5.552 -7.722 -11.536 54 2HE LYS 7 2HE LYS 7 4.160 -8.567 -12.220 55 1HZ LYS 7 1HZ LYS 7 4.216 -7.054 -14.121 56 2HZ LYS 7 2HZ LYS 7 5.572 -6.280 -13.463 57 3HZ LYS 7 3HZ LYS 7 5.667 -7.897 -13.949 58 H ASN 8 H ASN 8 5.565 -2.942 -11.074 59 HA ASN 8 HA ASN 8 4.492 -0.841 -9.280 60 1HB ASN 8 1HB ASN 8 6.201 -0.719 -11.740 61 2HB ASN 8 2HB ASN 8 5.186 0.652 -11.312 62 2HD2 ASN 8 2HD2 ASN 8 5.872 2.030 -9.789 63 1HD2 ASN 8 1HD2 ASN 8 7.272 1.810 -8.815 64 H ALA 9 H ALA 9 3.562 -2.967 -11.740 65 HA ALA 9 HA ALA 9 1.021 -1.618 -11.981 66 1HB ALA 9 1HB ALA 9 2.662 -2.238 -14.425 67 2HB ALA 9 2HB ALA 9 1.013 -1.605 -14.409 68 3HB ALA 9 3HB ALA 9 2.346 -0.627 -13.788 69 H TRP 10 H TRP 10 -0.602 -3.067 -11.955 70 HA TRP 10 HA TRP 10 0.093 -5.880 -12.605 71 1HB TRP 10 1HB TRP 10 -1.801 -4.760 -10.554 72 2HB TRP 10 2HB TRP 10 -1.789 -6.439 -11.063 73 HD1 TRP 10 HD1 TRP 10 0.045 -8.016 -10.049 74 HE1 TRP 10 HE1 TRP 10 1.887 -7.683 -8.278 75 HE3 TRP 10 HE3 TRP 10 -0.121 -2.949 -9.637 76 HZ2 TRP 10 HZ2 TRP 10 3.096 -5.541 -6.892 77 HZ3 TRP 10 HZ3 TRP 10 1.383 -1.816 -8.083 78 HH2 TRP 10 HH2 TRP 10 2.968 -3.089 -6.721 79 1HB PRO 11 1HB PRO 11 -1.962 -5.929 -17.743 80 2HB PRO 11 2HB PRO 11 -1.587 -4.240 -17.423 81 1HG PRO 11 1HG PRO 11 0.534 -5.144 -17.216 82 2HG PRO 11 2HG PRO 11 -0.083 -6.696 -16.620 83 1HD PRO 11 1HD PRO 11 0.607 -5.805 -14.625 84 2HD PRO 11 2HD PRO 11 0.318 -4.126 -15.152 85 H GLU 12 H GLU 12 -1.643 -7.548 -14.988 86 HA GLU 12 HA GLU 12 -3.708 -9.158 -16.042 87 1HB GLU 12 1HB GLU 12 -2.766 -10.931 -14.588 88 2HB GLU 12 2HB GLU 12 -1.568 -10.110 -15.583 89 1HG GLU 12 1HG GLU 12 -1.891 -8.880 -12.951 90 2HG GLU 12 2HG GLU 12 -1.404 -10.571 -12.882 91 H LEU 13 H LEU 13 -3.731 -7.098 -13.319 92 HA LEU 13 HA LEU 13 -5.619 -8.653 -11.797 93 1HB LEU 13 1HB LEU 13 -4.457 -5.900 -11.517 94 2HB LEU 13 2HB LEU 13 -5.813 -6.408 -10.530 95 HG LEU 13 HG LEU 13 -3.051 -7.611 -10.548 96 1HD1 LEU 13 1HD1 LEU 13 -3.362 -5.472 -9.317 97 2HD1 LEU 13 2HD1 LEU 13 -4.584 -6.248 -8.351 98 3HD1 LEU 13 3HD1 LEU 13 -2.938 -6.822 -8.280 99 1HD2 LEU 13 1HD2 LEU 13 -5.635 -8.637 -9.500 100 2HD2 LEU 13 2HD2 LEU 13 -4.253 -9.493 -10.173 101 3HD2 LEU 13 3HD2 LEU 13 -4.194 -8.865 -8.551 102 H VAL 14 H VAL 14 -5.731 -6.418 -14.382 103 HA VAL 14 HA VAL 14 -8.175 -5.156 -13.994 104 HB VAL 14 HB VAL 14 -7.068 -6.136 -16.637 105 1HG1 VAL 14 1HG1 VAL 14 -9.047 -3.957 -15.969 106 2HG1 VAL 14 2HG1 VAL 14 -8.327 -4.200 -17.559 107 3HG1 VAL 14 3HG1 VAL 14 -9.361 -5.446 -16.867 108 1HG2 VAL 14 1HG2 VAL 14 -5.716 -4.495 -14.926 109 2HG2 VAL 14 2HG2 VAL 14 -5.603 -4.455 -16.676 110 3HG2 VAL 14 3HG2 VAL 14 -6.659 -3.325 -15.829 111 H GLY 15 H GLY 15 -10.101 -6.078 -13.574 112 1HA GLY 15 1HA GLY 15 -11.975 -7.289 -14.473 113 2HA GLY 15 2HA GLY 15 -10.872 -8.505 -15.103 114 H LYS 16 H LYS 16 -9.535 -7.908 -12.229 115 HA LYS 16 HA LYS 16 -10.994 -10.116 -10.958 116 1HB LYS 16 1HB LYS 16 -8.233 -9.061 -10.857 117 2HB LYS 16 2HB LYS 16 -8.869 -9.577 -9.312 118 1HG LYS 16 1HG LYS 16 -9.278 -11.430 -11.589 119 2HG LYS 16 2HG LYS 16 -7.614 -11.183 -11.040 120 1HD LYS 16 1HD LYS 16 -8.057 -11.960 -8.885 121 2HD LYS 16 2HD LYS 16 -9.803 -11.798 -9.079 122 1HE LYS 16 1HE LYS 16 -9.818 -13.970 -9.533 123 2HE LYS 16 2HE LYS 16 -9.129 -13.564 -11.100 124 1HZ LYS 16 1HZ LYS 16 -7.569 -14.249 -8.662 125 2HZ LYS 16 2HZ LYS 16 -7.867 -15.281 -9.967 126 3HZ LYS 16 3HZ LYS 16 -6.926 -13.891 -10.194 127 H SER 17 H SER 17 -11.529 -9.998 -8.696 128 HA SER 17 HA SER 17 -12.996 -7.699 -8.028 129 1HB SER 17 1HB SER 17 -13.200 -10.105 -7.088 130 2HB SER 17 2HB SER 17 -13.498 -8.761 -5.988 131 HG SER 17 HG SER 17 -12.118 -10.169 -4.967 132 H GLY 18 H GLY 18 -12.587 -5.933 -6.718 133 1HA GLY 18 1HA GLY 18 -10.062 -4.836 -6.620 134 2HA GLY 18 2HA GLY 18 -11.364 -4.392 -5.532 135 H ASN 19 H ASN 19 -11.528 -7.107 -4.367 136 HA ASN 19 HA ASN 19 -9.632 -6.719 -2.287 137 1HB ASN 19 1HB ASN 19 -11.988 -7.822 -2.203 138 2HB ASN 19 2HB ASN 19 -11.157 -9.293 -2.702 139 2HD2 ASN 19 2HD2 ASN 19 -12.182 -9.852 -0.526 140 1HD2 ASN 19 1HD2 ASN 19 -11.171 -9.614 0.855 141 H MET 20 H MET 20 -9.999 -9.298 -4.739 142 HA MET 20 HA MET 20 -7.646 -10.677 -4.015 143 1HB MET 20 1HB MET 20 -9.693 -11.079 -5.850 144 2HB MET 20 2HB MET 20 -8.313 -10.811 -6.887 145 1HG MET 20 1HG MET 20 -7.998 -12.995 -6.651 146 2HG MET 20 2HG MET 20 -7.213 -12.549 -5.141 147 1HE MET 20 1HE MET 20 -8.016 -12.897 -2.931 148 2HE MET 20 2HE MET 20 -9.531 -11.985 -2.956 149 3HE MET 20 3HE MET 20 -9.517 -13.666 -2.417 150 H ALA 21 H ALA 21 -8.238 -7.991 -6.222 151 HA ALA 21 HA ALA 21 -5.704 -7.931 -7.428 152 1HB ALA 21 1HB ALA 21 -7.914 -5.961 -7.086 153 2HB ALA 21 2HB ALA 21 -6.357 -5.401 -7.697 154 3HB ALA 21 3HB ALA 21 -7.237 -6.656 -8.561 155 H ALA 22 H ALA 22 -6.997 -5.955 -4.753 156 HA ALA 22 HA ALA 22 -4.638 -4.631 -4.109 157 1HB ALA 22 1HB ALA 22 -6.849 -5.500 -2.250 158 2HB ALA 22 2HB ALA 22 -6.780 -3.992 -3.159 159 3HB ALA 22 3HB ALA 22 -5.614 -4.295 -1.867 160 H ALA 23 H ALA 23 -5.766 -7.842 -3.192 161 HA ALA 23 HA ALA 23 -3.762 -8.372 -1.255 162 1HB ALA 23 1HB ALA 23 -5.327 -10.307 -2.969 163 2HB ALA 23 2HB ALA 23 -4.412 -10.718 -1.517 164 3HB ALA 23 3HB ALA 23 -5.829 -9.672 -1.405 165 H THR 24 H THR 24 -3.998 -8.955 -4.743 166 HA THR 24 HA THR 24 -1.630 -10.429 -5.054 167 HB THR 24 HB THR 24 -2.835 -8.495 -7.042 168 HG1 THR 24 HG1 THR 24 -3.820 -10.666 -7.726 169 1HG2 THR 24 1HG2 THR 24 -1.222 -10.994 -7.477 170 2HG2 THR 24 2HG2 THR 24 -1.984 -10.025 -8.737 171 3HG2 THR 24 3HG2 THR 24 -0.678 -9.344 -7.769 172 H VAL 25 H VAL 25 -2.223 -6.939 -5.153 173 HA VAL 25 HA VAL 25 0.417 -6.186 -5.856 174 HB VAL 25 HB VAL 25 -1.586 -4.548 -4.289 175 1HG1 VAL 25 1HG1 VAL 25 1.085 -3.997 -5.235 176 2HG1 VAL 25 2HG1 VAL 25 -0.072 -2.919 -5.998 177 3HG1 VAL 25 3HG1 VAL 25 0.011 -3.023 -4.252 178 1HG2 VAL 25 1HG2 VAL 25 -1.266 -4.905 -7.265 179 2HG2 VAL 25 2HG2 VAL 25 -2.662 -5.293 -6.287 180 3HG2 VAL 25 3HG2 VAL 25 -2.211 -3.624 -6.521 181 H GLU 26 H GLU 26 -1.222 -6.236 -2.683 182 HA GLU 26 HA GLU 26 1.061 -5.440 -1.202 183 1HB GLU 26 1HB GLU 26 -1.246 -7.100 -0.178 184 2HB GLU 26 2HB GLU 26 -0.146 -6.098 0.752 185 1HG GLU 26 1HG GLU 26 -1.336 -4.419 -1.228 186 2HG GLU 26 2HG GLU 26 -2.609 -5.421 -0.534 187 H ARG 27 H ARG 27 -0.025 -8.573 -2.362 188 HA ARG 27 HA ARG 27 1.804 -10.053 -0.680 189 1HB ARG 27 1HB ARG 27 -0.440 -10.852 -1.719 190 2HB ARG 27 2HB ARG 27 0.497 -11.156 -3.170 191 1HG ARG 27 1HG ARG 27 1.804 -12.283 -0.833 192 2HG ARG 27 2HG ARG 27 0.122 -12.797 -0.912 193 1HD ARG 27 1HD ARG 27 2.092 -12.998 -3.181 194 2HD ARG 27 2HD ARG 27 1.698 -14.319 -2.095 195 HE ARG 27 HE ARG 27 0.044 -13.201 -4.217 196 1HH1 ARG 27 1HH1 ARG 27 0.195 -15.356 -1.436 197 2HH1 ARG 27 2HH1 ARG 27 -1.205 -16.234 -1.910 198 1HH2 ARG 27 1HH2 ARG 27 -1.814 -14.388 -4.809 199 2HH2 ARG 27 2HH2 ARG 27 -2.354 -15.692 -3.803 200 H GLU 28 H GLU 28 1.602 -9.438 -4.198 201 HA GLU 28 HA GLU 28 4.144 -10.553 -4.789 202 1HB GLU 28 1HB GLU 28 2.429 -8.560 -6.287 203 2HB GLU 28 2HB GLU 28 3.928 -9.220 -6.929 204 1HG GLU 28 1HG GLU 28 2.950 -11.503 -6.673 205 2HG GLU 28 2HG GLU 28 1.423 -10.732 -6.243 206 H ASN 29 H ASN 29 3.088 -7.327 -3.851 207 HA ASN 29 HA ASN 29 5.920 -6.498 -3.699 208 1HB ASN 29 1HB ASN 29 4.777 -5.318 -5.518 209 2HB ASN 29 2HB ASN 29 3.528 -4.781 -4.406 210 2HD2 ASN 29 2HD2 ASN 29 5.146 -3.077 -5.977 211 1HD2 ASN 29 1HD2 ASN 29 6.184 -2.185 -4.935 212 H ARG 30 H ARG 30 5.839 -7.343 -1.529 213 HA ARG 30 HA ARG 30 4.054 -6.349 0.436 214 1HB ARG 30 1HB ARG 30 5.619 -8.407 0.499 215 2HB ARG 30 2HB ARG 30 6.853 -7.275 1.040 216 1HG ARG 30 1HG ARG 30 6.140 -7.656 3.093 217 2HG ARG 30 2HG ARG 30 4.728 -6.676 2.712 218 1HD ARG 30 1HD ARG 30 3.670 -8.806 1.835 219 2HD ARG 30 2HD ARG 30 5.009 -9.677 2.577 220 HE ARG 30 HE ARG 30 4.019 -8.114 4.594 221 1HH1 ARG 30 1HH1 ARG 30 2.635 -10.517 2.432 222 2HH1 ARG 30 2HH1 ARG 30 1.440 -11.004 3.570 223 1HH2 ARG 30 1HH2 ARG 30 2.429 -8.784 6.080 224 2HH2 ARG 30 2HH2 ARG 30 1.332 -10.053 5.645 225 H ASN 31 H ASN 31 6.431 -4.678 -1.259 226 HA ASN 31 HA ASN 31 7.202 -2.966 0.949 227 1HB ASN 31 1HB ASN 31 8.844 -3.626 -0.777 228 2HB ASN 31 2HB ASN 31 7.887 -2.789 -1.993 229 2HD2 ASN 31 2HD2 ASN 31 9.763 -2.345 0.957 230 1HD2 ASN 31 1HD2 ASN 31 10.148 -0.688 0.655 231 H VAL 32 H VAL 32 4.514 -3.196 -0.983 232 HA VAL 32 HA VAL 32 3.927 -0.345 -0.620 233 HB VAL 32 HB VAL 32 3.029 -0.105 -2.792 234 1HG1 VAL 32 1HG1 VAL 32 5.688 -1.527 -2.947 235 2HG1 VAL 32 2HG1 VAL 32 4.978 -0.615 -4.241 236 3HG1 VAL 32 3HG1 VAL 32 5.419 0.170 -2.740 237 1HG2 VAL 32 1HG2 VAL 32 3.250 -3.081 -2.944 238 2HG2 VAL 32 2HG2 VAL 32 1.901 -2.038 -3.322 239 3HG2 VAL 32 3HG2 VAL 32 3.259 -2.134 -4.425 240 H HIS 33 H HIS 33 1.543 0.067 -1.038 241 HA HIS 33 HA HIS 33 -0.091 -2.210 -0.215 242 1HB HIS 33 1HB HIS 33 -0.729 -1.300 1.757 243 2HB HIS 33 2HB HIS 33 0.666 -0.262 1.582 244 HD1 HIS 33 HD1 HIS 33 -2.738 -0.028 2.378 245 HD2 HIS 33 HD2 HIS 33 -0.235 2.191 -0.062 246 HE1 HIS 33 HE1 HIS 33 -3.847 2.215 2.125 247 HE2 HIS 33 HE2 HIS 33 -2.266 3.562 0.705 248 H ALA 34 H ALA 34 -2.054 -2.350 -1.170 249 HA ALA 34 HA ALA 34 -2.665 -0.258 -3.141 250 1HB ALA 34 1HB ALA 34 -3.588 -3.117 -3.073 251 2HB ALA 34 2HB ALA 34 -3.890 -1.942 -4.360 252 3HB ALA 34 3HB ALA 34 -2.253 -2.489 -4.038 253 H ILE 35 H ILE 35 -4.378 1.006 -2.876 254 HA ILE 35 HA ILE 35 -6.302 0.360 -0.756 255 HB ILE 35 HB ILE 35 -6.179 2.898 -2.386 256 1HG1 ILE 35 1HG1 ILE 35 -4.416 1.937 -0.231 257 2HG1 ILE 35 2HG1 ILE 35 -5.057 3.544 0.048 258 1HG2 ILE 35 1HG2 ILE 35 -7.357 2.249 0.307 259 2HG2 ILE 35 2HG2 ILE 35 -7.316 3.857 -0.429 260 3HG2 ILE 35 3HG2 ILE 35 -8.247 2.570 -1.183 261 1HD1 ILE 35 1HD1 ILE 35 -4.027 3.195 -2.657 262 2HD1 ILE 35 2HD1 ILE 35 -3.728 4.435 -1.445 263 3HD1 ILE 35 3HD1 ILE 35 -2.829 2.927 -1.401 264 H VAL 36 H VAL 36 -8.510 0.123 -1.150 265 HA VAL 36 HA VAL 36 -9.179 -0.453 -3.952 266 HB VAL 36 HB VAL 36 -10.626 -1.208 -1.428 267 1HG1 VAL 36 1HG1 VAL 36 -11.134 -1.892 -4.324 268 2HG1 VAL 36 2HG1 VAL 36 -11.862 -2.755 -2.973 269 3HG1 VAL 36 3HG1 VAL 36 -12.217 -1.048 -3.213 270 1HG2 VAL 36 1HG2 VAL 36 -8.858 -2.816 -3.275 271 2HG2 VAL 36 2HG2 VAL 36 -8.504 -2.349 -1.604 272 3HG2 VAL 36 3HG2 VAL 36 -9.819 -3.484 -1.939 273 H LEU 37 H LEU 37 -10.120 1.090 -5.064 274 HA LEU 37 HA LEU 37 -12.355 2.551 -3.873 275 1HB LEU 37 1HB LEU 37 -11.336 4.598 -5.221 276 2HB LEU 37 2HB LEU 37 -11.002 4.285 -3.542 277 HG LEU 37 HG LEU 37 -9.014 2.876 -5.082 278 1HD1 LEU 37 1HD1 LEU 37 -9.551 5.661 -6.010 279 2HD1 LEU 37 2HD1 LEU 37 -7.953 4.926 -6.107 280 3HD1 LEU 37 3HD1 LEU 37 -9.313 4.207 -6.947 281 1HD2 LEU 37 1HD2 LEU 37 -9.088 4.052 -2.716 282 2HD2 LEU 37 2HD2 LEU 37 -7.624 3.838 -3.615 283 3HD2 LEU 37 3HD2 LEU 37 -8.414 5.387 -3.617 284 H LYS 38 H LYS 38 -13.920 3.186 -5.309 285 HA LYS 38 HA LYS 38 -13.920 1.724 -7.797 286 1HB LYS 38 1HB LYS 38 -16.228 2.217 -7.927 287 2HB LYS 38 2HB LYS 38 -16.048 3.585 -6.835 288 1HG LYS 38 1HG LYS 38 -16.677 0.854 -6.257 289 2HG LYS 38 2HG LYS 38 -15.182 1.253 -5.427 290 1HD LYS 38 1HD LYS 38 -17.088 1.719 -4.011 291 2HD LYS 38 2HD LYS 38 -16.266 3.224 -4.433 292 1HE LYS 38 1HE LYS 38 -17.999 3.483 -6.290 293 2HE LYS 38 2HE LYS 38 -18.566 3.658 -4.643 294 1HZ LYS 38 1HZ LYS 38 -19.384 1.403 -4.685 295 2HZ LYS 38 2HZ LYS 38 -20.059 2.304 -5.946 296 3HZ LYS 38 3HZ LYS 38 -18.825 1.188 -6.270 297 H GLU 39 H GLU 39 -14.354 2.638 -9.855 298 HA GLU 39 HA GLU 39 -12.799 4.861 -10.524 299 1HB GLU 39 1HB GLU 39 -13.879 2.935 -11.981 300 2HB GLU 39 2HB GLU 39 -15.152 4.117 -12.236 301 1HG GLU 39 1HG GLU 39 -12.578 5.358 -12.645 302 2HG GLU 39 2HG GLU 39 -12.668 3.851 -13.554 303 H GLY 40 H GLY 40 -13.095 6.829 -9.759 304 1HA GLY 40 1HA GLY 40 -14.519 8.814 -10.346 305 2HA GLY 40 2HA GLY 40 -15.863 7.914 -9.668 306 H SER 41 H SER 41 -13.475 6.937 -7.731 307 HA SER 41 HA SER 41 -14.273 8.618 -5.592 308 1HB SER 41 1HB SER 41 -13.509 6.279 -5.319 309 2HB SER 41 2HB SER 41 -11.876 6.774 -5.711 310 HG SER 41 HG SER 41 -12.457 6.679 -3.401 311 H ALA 42 H ALA 42 -12.806 9.953 -4.289 312 HA ALA 42 HA ALA 42 -11.289 11.755 -6.014 313 1HB ALA 42 1HB ALA 42 -12.873 12.641 -4.373 314 2HB ALA 42 2HB ALA 42 -11.236 13.227 -4.094 315 3HB ALA 42 3HB ALA 42 -11.907 11.956 -3.067 316 H MET 43 H MET 43 -9.424 10.520 -6.522 317 HA MET 43 HA MET 43 -7.570 10.127 -4.242 318 1HB MET 43 1HB MET 43 -8.148 8.466 -6.675 319 2HB MET 43 2HB MET 43 -6.580 8.418 -5.936 320 1HG MET 43 1HG MET 43 -7.919 6.663 -5.056 321 2HG MET 43 2HG MET 43 -7.571 7.803 -3.798 322 1HE MET 43 1HE MET 43 -9.057 8.184 -2.180 323 2HE MET 43 2HE MET 43 -10.820 8.111 -2.220 324 3HE MET 43 3HE MET 43 -9.875 6.629 -2.330 325 H THR 44 H THR 44 -5.545 10.916 -4.410 326 HA THR 44 HA THR 44 -5.067 13.055 -6.183 327 HB THR 44 HB THR 44 -2.562 12.486 -5.318 328 HG1 THR 44 HG1 THR 44 -2.911 11.581 -3.147 329 1HG2 THR 44 1HG2 THR 44 -3.803 14.511 -4.741 330 2HG2 THR 44 2HG2 THR 44 -4.696 13.604 -3.517 331 3HG2 THR 44 3HG2 THR 44 -2.951 13.820 -3.358 332 H LYS 45 H LYS 45 -3.264 13.273 -7.690 333 HA LYS 45 HA LYS 45 -3.108 10.922 -9.456 334 1HB LYS 45 1HB LYS 45 -2.818 13.871 -9.803 335 2HB LYS 45 2HB LYS 45 -1.985 12.818 -10.931 336 1HG LYS 45 1HG LYS 45 -3.809 12.300 -12.042 337 2HG LYS 45 2HG LYS 45 -4.739 11.999 -10.567 338 1HD LYS 45 1HD LYS 45 -4.450 14.772 -10.604 339 2HD LYS 45 2HD LYS 45 -4.618 14.352 -12.304 340 1HE LYS 45 1HE LYS 45 -6.795 14.159 -12.035 341 2HE LYS 45 2HE LYS 45 -6.574 12.850 -10.880 342 1HZ LYS 45 1HZ LYS 45 -6.373 14.521 -9.115 343 2HZ LYS 45 2HZ LYS 45 -6.643 15.748 -10.251 344 3HZ LYS 45 3HZ LYS 45 -7.851 14.603 -9.905 345 H ASP 46 H ASP 46 -1.189 12.880 -7.350 346 HA ASP 46 HA ASP 46 1.358 12.712 -8.238 347 1HB ASP 46 1HB ASP 46 2.083 12.582 -5.879 348 2HB ASP 46 2HB ASP 46 0.443 12.127 -5.405 349 H PHE 47 H PHE 47 3.164 11.253 -7.616 350 HA PHE 47 HA PHE 47 2.340 8.456 -8.063 351 1HB PHE 47 1HB PHE 47 3.805 9.251 -9.749 352 2HB PHE 47 2HB PHE 47 4.922 9.930 -8.574 353 HD1 PHE 47 HD1 PHE 47 3.696 6.839 -10.133 354 HD2 PHE 47 HD2 PHE 47 6.509 8.532 -7.414 355 HE1 PHE 47 HE1 PHE 47 4.965 4.748 -10.133 356 HE2 PHE 47 HE2 PHE 47 7.765 6.429 -7.411 357 HZ PHE 47 HZ PHE 47 6.982 4.514 -8.750 358 H ARG 48 H ARG 48 2.647 6.928 -6.580 359 HA ARG 48 HA ARG 48 4.628 7.279 -4.448 360 1HB ARG 48 1HB ARG 48 1.687 6.859 -3.964 361 2HB ARG 48 2HB ARG 48 2.917 6.613 -2.728 362 1HG ARG 48 1HG ARG 48 3.484 8.910 -2.719 363 2HG ARG 48 2HG ARG 48 2.521 9.237 -4.153 364 1HD ARG 48 1HD ARG 48 0.509 8.573 -2.883 365 2HD ARG 48 2HD ARG 48 1.312 10.020 -2.304 366 HE ARG 48 HE ARG 48 1.739 7.370 -1.048 367 1HH1 ARG 48 1HH1 ARG 48 0.793 10.752 -0.742 368 2HH1 ARG 48 2HH1 ARG 48 0.755 10.687 0.974 369 1HH2 ARG 48 1HH2 ARG 48 1.671 7.331 1.224 370 2HH2 ARG 48 2HH2 ARG 48 1.239 8.764 2.097 371 H CYS 49 H CYS 49 5.800 5.487 -4.589 372 HA CYS 49 HA CYS 49 5.056 3.147 -5.868 373 1HB CYS 49 1HB CYS 49 7.137 3.358 -3.704 374 2HB CYS 49 2HB CYS 49 7.029 2.115 -4.943 375 H ASP 50 H ASP 50 4.903 3.991 -2.455 376 HA ASP 50 HA ASP 50 4.035 1.379 -1.663 377 1HB ASP 50 1HB ASP 50 5.320 2.745 -0.133 378 2HB ASP 50 2HB ASP 50 3.752 2.340 0.557 379 H ARG 51 H ARG 51 2.412 3.645 -3.383 380 HA ARG 51 HA ARG 51 -0.151 2.889 -2.164 381 1HB ARG 51 1HB ARG 51 0.532 5.309 -1.864 382 2HB ARG 51 2HB ARG 51 0.381 5.480 -3.605 383 1HG ARG 51 1HG ARG 51 -2.006 4.628 -3.338 384 2HG ARG 51 2HG ARG 51 -1.730 4.850 -1.606 385 1HD ARG 51 1HD ARG 51 -2.737 6.827 -2.234 386 2HD ARG 51 2HD ARG 51 -1.041 7.226 -2.169 387 HE ARG 51 HE ARG 51 -1.969 6.412 -4.790 388 1HH1 ARG 51 1HH1 ARG 51 -1.604 9.133 -2.584 389 2HH1 ARG 51 2HH1 ARG 51 -1.580 10.285 -3.859 390 1HH2 ARG 51 1HH2 ARG 51 -1.987 7.990 -6.441 391 2HH2 ARG 51 2HH2 ARG 51 -1.807 9.654 -6.034 392 H VAL 52 H VAL 52 -1.288 1.640 -3.446 393 HA VAL 52 HA VAL 52 -1.055 2.010 -6.379 394 HB VAL 52 HB VAL 52 -1.568 -0.592 -4.946 395 1HG1 VAL 52 1HG1 VAL 52 -1.364 0.135 -7.842 396 2HG1 VAL 52 2HG1 VAL 52 -1.177 -1.514 -7.270 397 3HG1 VAL 52 3HG1 VAL 52 -2.691 -0.659 -7.016 398 1HG2 VAL 52 1HG2 VAL 52 0.899 0.740 -5.591 399 2HG2 VAL 52 2HG2 VAL 52 0.612 -0.736 -4.684 400 3HG2 VAL 52 3HG2 VAL 52 0.769 -0.798 -6.429 401 H TRP 53 H TRP 53 -2.875 2.833 -7.162 402 HA TRP 53 HA TRP 53 -5.333 2.739 -5.675 403 1HB TRP 53 1HB TRP 53 -4.607 3.856 -8.370 404 2HB TRP 53 2HB TRP 53 -6.257 3.893 -7.776 405 HD1 TRP 53 HD1 TRP 53 -4.373 6.460 -8.491 406 HE1 TRP 53 HE1 TRP 53 -4.196 8.316 -6.723 407 HE3 TRP 53 HE3 TRP 53 -5.716 3.800 -4.344 408 HZ2 TRP 53 HZ2 TRP 53 -4.532 8.603 -3.959 409 HZ3 TRP 53 HZ3 TRP 53 -5.774 4.944 -2.192 410 HH2 TRP 53 HH2 TRP 53 -5.177 7.289 -1.986 411 H VAL 54 H VAL 54 -6.858 1.255 -5.768 412 HA VAL 54 HA VAL 54 -6.845 -0.627 -8.056 413 HB VAL 54 HB VAL 54 -7.830 -0.907 -5.227 414 1HG1 VAL 54 1HG1 VAL 54 -8.451 -2.556 -7.620 415 2HG1 VAL 54 2HG1 VAL 54 -8.394 -3.292 -6.021 416 3HG1 VAL 54 3HG1 VAL 54 -9.535 -1.997 -6.353 417 1HG2 VAL 54 1HG2 VAL 54 -5.438 -1.258 -5.601 418 2HG2 VAL 54 2HG2 VAL 54 -6.260 -2.736 -5.100 419 3HG2 VAL 54 3HG2 VAL 54 -5.826 -2.500 -6.796 420 H ILE 55 H ILE 55 -8.008 0.734 -9.422 421 HA ILE 55 HA ILE 55 -10.516 1.863 -8.618 422 HB ILE 55 HB ILE 55 -9.420 1.708 -11.408 423 1HG1 ILE 55 1HG1 ILE 55 -8.869 4.210 -10.726 424 2HG1 ILE 55 2HG1 ILE 55 -8.843 3.550 -9.094 425 1HG2 ILE 55 1HG2 ILE 55 -11.503 3.428 -10.094 426 2HG2 ILE 55 2HG2 ILE 55 -10.856 3.729 -11.704 427 3HG2 ILE 55 3HG2 ILE 55 -11.758 2.246 -11.376 428 1HD1 ILE 55 1HD1 ILE 55 -7.269 1.975 -10.984 429 2HD1 ILE 55 2HD1 ILE 55 -6.753 3.650 -10.853 430 3HD1 ILE 55 3HD1 ILE 55 -6.846 2.647 -9.420 431 H VAL 56 H VAL 56 -12.296 0.676 -8.417 432 HA VAL 56 HA VAL 56 -12.746 -1.512 -10.315 433 HB VAL 56 HB VAL 56 -14.001 -2.666 -8.594 434 1HG1 VAL 56 1HG1 VAL 56 -11.210 -1.848 -7.843 435 2HG1 VAL 56 2HG1 VAL 56 -12.119 -3.046 -6.934 436 3HG1 VAL 56 3HG1 VAL 56 -11.753 -3.322 -8.612 437 1HG2 VAL 56 1HG2 VAL 56 -13.284 -0.346 -6.831 438 2HG2 VAL 56 2HG2 VAL 56 -14.901 -0.809 -7.357 439 3HG2 VAL 56 3HG2 VAL 56 -14.005 -1.853 -6.266 440 H ASN 57 H ASN 57 -15.065 -2.083 -10.601 441 HA ASN 57 HA ASN 57 -16.547 0.354 -11.182 442 1HB ASN 57 1HB ASN 57 -16.439 -1.431 -12.859 443 2HB ASN 57 2HB ASN 57 -18.077 -1.117 -12.400 444 2HD2 ASN 57 2HD2 ASN 57 -17.371 -3.458 -13.650 445 1HD2 ASN 57 1HD2 ASN 57 -17.576 -4.756 -12.531 446 H ASP 58 H ASP 58 -19.138 -0.244 -10.935 447 HA ASP 58 HA ASP 58 -19.682 0.211 -8.227 448 1HB ASP 58 1HB ASP 58 -21.541 -0.789 -10.402 449 2HB ASP 58 2HB ASP 58 -22.043 -0.118 -8.849 450 H HIS 59 H HIS 59 -19.206 -2.759 -9.952 451 HA HIS 59 HA HIS 59 -20.542 -4.371 -7.930 452 1HB HIS 59 1HB HIS 59 -19.323 -4.866 -10.617 453 2HB HIS 59 2HB HIS 59 -19.394 -6.216 -9.488 454 HD1 HIS 59 HD1 HIS 59 -21.812 -6.909 -8.638 455 HD2 HIS 59 HD2 HIS 59 -21.710 -4.275 -11.852 456 HE1 HIS 59 HE1 HIS 59 -24.114 -6.991 -9.654 457 HE2 HIS 59 HE2 HIS 59 -24.047 -5.332 -11.545 458 H GLY 60 H GLY 60 -17.435 -3.034 -8.387 459 1HA GLY 60 1HA GLY 60 -15.760 -3.159 -6.775 460 2HA GLY 60 2HA GLY 60 -16.407 -4.689 -6.205 461 H VAL 61 H VAL 61 -15.961 -4.097 -9.605 462 HA VAL 61 HA VAL 61 -13.848 -6.145 -9.663 463 HB VAL 61 HB VAL 61 -15.461 -5.054 -11.975 464 1HG1 VAL 61 1HG1 VAL 61 -13.751 -7.514 -11.684 465 2HG1 VAL 61 2HG1 VAL 61 -14.734 -7.118 -13.094 466 3HG1 VAL 61 3HG1 VAL 61 -13.382 -6.085 -12.650 467 1HG2 VAL 61 1HG2 VAL 61 -15.964 -7.501 -10.288 468 2HG2 VAL 61 2HG2 VAL 61 -16.990 -6.070 -10.402 469 3HG2 VAL 61 3HG2 VAL 61 -16.793 -7.122 -11.799 470 H VAL 62 H VAL 62 -11.821 -5.648 -10.378 471 HA VAL 62 HA VAL 62 -11.056 -2.909 -10.539 472 HB VAL 62 HB VAL 62 -9.476 -5.370 -11.283 473 1HG1 VAL 62 1HG1 VAL 62 -8.670 -3.197 -12.291 474 2HG1 VAL 62 2HG1 VAL 62 -8.377 -2.626 -10.646 475 3HG1 VAL 62 3HG1 VAL 62 -7.557 -4.051 -11.271 476 1HG2 VAL 62 1HG2 VAL 62 -9.593 -3.743 -8.749 477 2HG2 VAL 62 2HG2 VAL 62 -10.130 -5.393 -8.949 478 3HG2 VAL 62 3HG2 VAL 62 -8.434 -5.005 -9.081 479 H THR 63 H THR 63 -11.690 -1.670 -12.181 480 HA THR 63 HA THR 63 -11.909 -2.769 -14.879 481 HB THR 63 HB THR 63 -12.944 -0.656 -15.450 482 HG1 THR 63 HG1 THR 63 -12.870 1.064 -14.174 483 1HG2 THR 63 1HG2 THR 63 -14.370 -2.321 -14.303 484 2HG2 THR 63 2HG2 THR 63 -14.032 -1.519 -12.775 485 3HG2 THR 63 3HG2 THR 63 -14.875 -0.651 -14.056 486 H SER 64 H SER 64 -9.917 -0.567 -13.010 487 HA SER 64 HA SER 64 -8.326 0.040 -15.422 488 1HB SER 64 1HB SER 64 -9.275 1.783 -13.599 489 2HB SER 64 2HB SER 64 -7.730 1.398 -12.852 490 HG SER 64 HG SER 64 -6.965 2.790 -14.242 491 H VAL 65 H VAL 65 -6.072 -0.122 -15.347 492 HA VAL 65 HA VAL 65 -5.093 -2.514 -14.218 493 HB VAL 65 HB VAL 65 -3.449 -0.223 -15.281 494 1HG1 VAL 65 1HG1 VAL 65 -2.829 -2.940 -14.381 495 2HG1 VAL 65 2HG1 VAL 65 -2.203 -2.562 -15.986 496 3HG1 VAL 65 3HG1 VAL 65 -1.791 -1.544 -14.611 497 1HG2 VAL 65 1HG2 VAL 65 -5.176 -0.836 -16.904 498 2HG2 VAL 65 2HG2 VAL 65 -3.584 -1.342 -17.443 499 3HG2 VAL 65 3HG2 VAL 65 -4.692 -2.519 -16.780 500 1HB PRO 66 1HB PRO 66 -3.391 -3.319 -9.423 501 2HB PRO 66 2HB PRO 66 -4.674 -2.350 -8.713 502 1HG PRO 66 1HG PRO 66 -5.136 -4.513 -10.213 503 2HG PRO 66 2HG PRO 66 -6.237 -3.176 -10.082 504 1HD PRO 66 1HD PRO 66 -4.424 -3.887 -12.314 505 2HD PRO 66 2HD PRO 66 -5.998 -3.140 -12.376 506 H HIS 67 H HIS 67 -2.605 0.601 -10.919 507 HA HIS 67 HA HIS 67 0.029 -0.691 -10.654 508 1HB HIS 67 1HB HIS 67 -0.435 -0.035 -12.981 509 2HB HIS 67 2HB HIS 67 0.915 0.870 -12.305 510 HD1 HIS 67 HD1 HIS 67 0.203 2.477 -14.405 511 HD2 HIS 67 HD2 HIS 67 -2.349 2.425 -11.134 512 HE1 HIS 67 HE1 HIS 67 -1.206 4.555 -14.594 513 HE2 HIS 67 HE2 HIS 67 -2.647 4.552 -12.534 514 H ILE 68 H ILE 68 1.637 0.366 -9.637 515 HA ILE 68 HA ILE 68 1.141 1.826 -7.407 516 HB ILE 68 HB ILE 68 3.462 1.043 -8.934 517 1HG1 ILE 68 1HG1 ILE 68 3.318 1.939 -6.082 518 2HG1 ILE 68 2HG1 ILE 68 2.761 0.378 -6.607 519 1HG2 ILE 68 1HG2 ILE 68 3.565 3.867 -7.909 520 2HG2 ILE 68 2HG2 ILE 68 4.994 2.879 -8.090 521 3HG2 ILE 68 3HG2 ILE 68 4.000 3.208 -9.490 522 1HD1 ILE 68 1HD1 ILE 68 5.064 -0.003 -7.548 523 2HD1 ILE 68 2HD1 ILE 68 5.583 1.391 -6.630 524 3HD1 ILE 68 3HD1 ILE 68 4.914 0.002 -5.816 525 H THR 69 H THR 69 0.272 3.752 -7.094 526 HA THR 69 HA THR 69 1.164 6.082 -8.547 527 HB THR 69 HB THR 69 -1.544 4.878 -9.085 528 HG1 THR 69 HG1 THR 69 0.467 6.048 -10.740 529 1HG2 THR 69 1HG2 THR 69 -0.819 7.787 -9.294 530 2HG2 THR 69 2HG2 THR 69 -2.083 7.040 -10.263 531 3HG2 THR 69 3HG2 THR 69 -2.217 7.061 -8.515 No H/Q in entry = 531 Start of MODEL 17 1 H SER 1 H SER 1 16.317 8.204 -8.446 2 HA SER 1 HA SER 1 15.359 8.516 -10.623 3 1HB SER 1 1HB SER 1 17.536 6.450 -11.230 4 2HB SER 1 2HB SER 1 16.757 7.477 -12.426 5 HG SER 1 HG SER 1 18.460 8.231 -10.314 6 H ARG 2 H ARG 2 13.353 7.299 -9.629 7 HA ARG 2 HA ARG 2 11.487 6.032 -9.811 8 1HB ARG 2 1HB ARG 2 12.327 6.155 -12.710 9 2HB ARG 2 2HB ARG 2 10.817 5.434 -12.183 10 1HG ARG 2 1HG ARG 2 9.863 7.415 -11.630 11 2HG ARG 2 2HG ARG 2 11.397 8.201 -11.270 12 1HD ARG 2 1HD ARG 2 11.623 8.980 -13.326 13 2HD ARG 2 2HD ARG 2 11.231 7.434 -14.075 14 HE ARG 2 HE ARG 2 9.536 9.658 -13.866 15 1HH1 ARG 2 1HH1 ARG 2 9.430 6.160 -13.495 16 2HH1 ARG 2 2HH1 ARG 2 7.769 6.062 -13.860 17 1HH2 ARG 2 1HH2 ARG 2 7.322 9.479 -14.398 18 2HH2 ARG 2 2HH2 ARG 2 6.565 7.920 -14.398 19 H ARG 3 H ARG 3 12.452 4.345 -8.561 20 HA ARG 3 HA ARG 3 12.272 1.804 -9.836 21 1HB ARG 3 1HB ARG 3 14.869 3.011 -9.779 22 2HB ARG 3 2HB ARG 3 14.907 1.658 -8.667 23 1HG ARG 3 1HG ARG 3 13.743 1.282 -11.402 24 2HG ARG 3 2HG ARG 3 15.490 1.375 -11.188 25 1HD ARG 3 1HD ARG 3 15.592 -0.692 -10.442 26 2HD ARG 3 2HD ARG 3 14.384 -0.404 -9.201 27 HE ARG 3 HE ARG 3 14.009 -1.585 -11.827 28 1HH1 ARG 3 1HH1 ARG 3 12.441 -0.191 -9.035 29 2HH1 ARG 3 2HH1 ARG 3 10.914 -0.871 -9.376 30 1HH2 ARG 3 1HH2 ARG 3 11.983 -2.543 -12.255 31 2HH2 ARG 3 2HH2 ARG 3 10.650 -2.243 -11.189 32 H CYS 4 H CYS 4 10.793 1.322 -8.255 33 HA CYS 4 HA CYS 4 11.820 1.238 -5.499 34 1HB CYS 4 1HB CYS 4 9.642 1.609 -4.678 35 2HB CYS 4 2HB CYS 4 8.910 1.311 -6.251 36 1HB PRO 5 1HB PRO 5 11.588 -3.687 -3.101 37 2HB PRO 5 2HB PRO 5 10.076 -2.845 -2.751 38 1HG PRO 5 1HG PRO 5 11.561 -1.364 -1.780 39 2HG PRO 5 2HG PRO 5 12.855 -1.765 -2.925 40 1HD PRO 5 1HD PRO 5 12.188 0.223 -3.847 41 2HD PRO 5 2HD PRO 5 10.520 0.067 -3.260 42 H GLY 6 H GLY 6 10.148 -4.952 -5.357 43 1HA GLY 6 1HA GLY 6 8.218 -6.039 -5.881 44 2HA GLY 6 2HA GLY 6 7.355 -4.756 -5.101 45 H LYS 7 H LYS 7 6.121 -5.812 -7.144 46 HA LYS 7 HA LYS 7 6.773 -4.759 -9.704 47 1HB LYS 7 1HB LYS 7 5.426 -6.771 -9.312 48 2HB LYS 7 2HB LYS 7 4.148 -5.793 -8.661 49 1HG LYS 7 1HG LYS 7 3.738 -4.761 -10.735 50 2HG LYS 7 2HG LYS 7 5.191 -5.455 -11.452 51 1HD LYS 7 1HD LYS 7 3.051 -7.238 -10.325 52 2HD LYS 7 2HD LYS 7 2.831 -6.511 -11.903 53 1HE LYS 7 1HE LYS 7 4.429 -7.763 -12.869 54 2HE LYS 7 2HE LYS 7 5.440 -7.815 -11.426 55 1HZ LYS 7 1HZ LYS 7 3.904 -9.419 -10.454 56 2HZ LYS 7 2HZ LYS 7 2.953 -9.387 -11.859 57 3HZ LYS 7 3HZ LYS 7 4.526 -9.981 -11.925 58 H ASN 8 H ASN 8 5.893 -3.006 -10.833 59 HA ASN 8 HA ASN 8 4.758 -0.886 -9.109 60 1HB ASN 8 1HB ASN 8 6.328 -0.779 -11.684 61 2HB ASN 8 2HB ASN 8 5.564 0.632 -10.951 62 2HD2 ASN 8 2HD2 ASN 8 7.827 1.398 -10.987 63 1HD2 ASN 8 1HD2 ASN 8 8.829 0.990 -9.643 64 H ALA 9 H ALA 9 3.714 -3.053 -11.444 65 HA ALA 9 HA ALA 9 1.246 -1.663 -11.759 66 1HB ALA 9 1HB ALA 9 2.963 -2.164 -14.177 67 2HB ALA 9 2HB ALA 9 1.285 -1.609 -14.217 68 3HB ALA 9 3HB ALA 9 2.542 -0.587 -13.519 69 H TRP 10 H TRP 10 -0.384 -3.104 -11.779 70 HA TRP 10 HA TRP 10 0.331 -5.900 -12.466 71 1HB TRP 10 1HB TRP 10 -1.691 -4.827 -10.513 72 2HB TRP 10 2HB TRP 10 -1.591 -6.504 -11.020 73 HD1 TRP 10 HD1 TRP 10 0.185 -8.024 -9.873 74 HE1 TRP 10 HE1 TRP 10 1.939 -7.647 -8.031 75 HE3 TRP 10 HE3 TRP 10 -0.077 -2.956 -9.520 76 HZ2 TRP 10 HZ2 TRP 10 3.056 -5.477 -6.618 77 HZ3 TRP 10 HZ3 TRP 10 1.348 -1.786 -7.903 78 HH2 TRP 10 HH2 TRP 10 2.887 -3.030 -6.465 79 1HB PRO 11 1HB PRO 11 -1.470 -5.876 -17.658 80 2HB PRO 11 2HB PRO 11 -1.132 -4.167 -17.375 81 1HG PRO 11 1HG PRO 11 0.988 -5.003 -17.037 82 2HG PRO 11 2HG PRO 11 0.381 -6.566 -16.459 83 1HD PRO 11 1HD PRO 11 0.964 -5.630 -14.447 84 2HD PRO 11 2HD PRO 11 0.636 -3.971 -14.995 85 H GLU 12 H GLU 12 -1.374 -7.501 -15.010 86 HA GLU 12 HA GLU 12 -3.503 -8.958 -16.159 87 1HB GLU 12 1HB GLU 12 -1.375 -9.986 -15.693 88 2HB GLU 12 2HB GLU 12 -2.666 -10.850 -14.873 89 1HG GLU 12 1HG GLU 12 -1.846 -9.032 -12.956 90 2HG GLU 12 2HG GLU 12 -1.415 -10.734 -13.056 91 H LEU 13 H LEU 13 -3.626 -6.934 -13.464 92 HA LEU 13 HA LEU 13 -5.514 -8.539 -11.981 93 1HB LEU 13 1HB LEU 13 -4.369 -5.791 -11.628 94 2HB LEU 13 2HB LEU 13 -5.722 -6.321 -10.654 95 HG LEU 13 HG LEU 13 -2.996 -7.618 -10.740 96 1HD1 LEU 13 1HD1 LEU 13 -3.338 -5.375 -9.487 97 2HD1 LEU 13 2HD1 LEU 13 -4.236 -6.326 -8.353 98 3HD1 LEU 13 3HD1 LEU 13 -2.574 -6.712 -8.649 99 1HD2 LEU 13 1HD2 LEU 13 -5.572 -8.418 -9.458 100 2HD2 LEU 13 2HD2 LEU 13 -4.399 -9.386 -10.345 101 3HD2 LEU 13 3HD2 LEU 13 -4.043 -8.844 -8.721 102 H VAL 14 H VAL 14 -5.599 -6.312 -14.574 103 HA VAL 14 HA VAL 14 -8.091 -5.105 -14.181 104 HB VAL 14 HB VAL 14 -6.875 -5.927 -16.837 105 1HG1 VAL 14 1HG1 VAL 14 -8.947 -3.845 -16.143 106 2HG1 VAL 14 2HG1 VAL 14 -8.214 -4.065 -17.732 107 3HG1 VAL 14 3HG1 VAL 14 -9.222 -5.333 -17.051 108 1HG2 VAL 14 1HG2 VAL 14 -5.365 -4.533 -15.404 109 2HG2 VAL 14 2HG2 VAL 14 -5.854 -3.764 -16.903 110 3HG2 VAL 14 3HG2 VAL 14 -6.607 -3.300 -15.379 111 H GLY 15 H GLY 15 -9.981 -6.125 -13.825 112 1HA GLY 15 1HA GLY 15 -11.770 -7.380 -14.906 113 2HA GLY 15 2HA GLY 15 -10.585 -8.572 -15.408 114 H LYS 16 H LYS 16 -9.456 -7.921 -12.478 115 HA LYS 16 HA LYS 16 -11.080 -10.029 -11.226 116 1HB LYS 16 1HB LYS 16 -8.253 -9.127 -10.987 117 2HB LYS 16 2HB LYS 16 -8.999 -9.760 -9.531 118 1HG LYS 16 1HG LYS 16 -9.110 -11.296 -12.121 119 2HG LYS 16 2HG LYS 16 -7.691 -11.333 -11.085 120 1HD LYS 16 1HD LYS 16 -8.775 -13.096 -10.199 121 2HD LYS 16 2HD LYS 16 -9.477 -11.839 -9.188 122 1HE LYS 16 1HE LYS 16 -11.017 -12.110 -11.630 123 2HE LYS 16 2HE LYS 16 -10.779 -13.684 -10.880 124 1HZ LYS 16 1HZ LYS 16 -11.456 -12.023 -8.787 125 2HZ LYS 16 2HZ LYS 16 -12.452 -11.547 -10.066 126 3HZ LYS 16 3HZ LYS 16 -12.448 -13.155 -9.568 127 H SER 17 H SER 17 -11.671 -9.841 -8.984 128 HA SER 17 HA SER 17 -12.996 -7.475 -8.379 129 1HB SER 17 1HB SER 17 -13.633 -8.459 -6.385 130 2HB SER 17 2HB SER 17 -13.257 -9.869 -7.373 131 HG SER 17 HG SER 17 -12.246 -10.096 -5.389 132 H GLY 18 H GLY 18 -12.607 -5.752 -6.978 133 1HA GLY 18 1HA GLY 18 -10.059 -4.656 -6.853 134 2HA GLY 18 2HA GLY 18 -11.382 -4.227 -5.812 135 H ASN 19 H ASN 19 -11.648 -6.849 -4.620 136 HA ASN 19 HA ASN 19 -9.777 -6.504 -2.507 137 1HB ASN 19 1HB ASN 19 -12.101 -8.203 -3.068 138 2HB ASN 19 2HB ASN 19 -10.841 -9.076 -2.210 139 2HD2 ASN 19 2HD2 ASN 19 -11.670 -9.206 -0.206 140 1HD2 ASN 19 1HD2 ASN 19 -12.114 -7.837 0.747 141 H MET 20 H MET 20 -10.085 -8.939 -5.089 142 HA MET 20 HA MET 20 -7.860 -10.473 -4.282 143 1HB MET 20 1HB MET 20 -9.777 -10.684 -6.272 144 2HB MET 20 2HB MET 20 -8.325 -10.375 -7.199 145 1HG MET 20 1HG MET 20 -7.995 -12.553 -7.102 146 2HG MET 20 2HG MET 20 -7.427 -12.282 -5.459 147 1HE MET 20 1HE MET 20 -8.884 -12.557 -3.342 148 2HE MET 20 2HE MET 20 -10.224 -11.571 -3.929 149 3HE MET 20 3HE MET 20 -10.528 -13.197 -3.314 150 H ALA 21 H ALA 21 -8.165 -7.752 -6.553 151 HA ALA 21 HA ALA 21 -5.515 -7.727 -7.440 152 1HB ALA 21 1HB ALA 21 -7.571 -5.557 -7.198 153 2HB ALA 21 2HB ALA 21 -7.086 -6.442 -8.642 154 3HB ALA 21 3HB ALA 21 -5.986 -5.266 -7.926 155 H ALA 22 H ALA 22 -7.059 -5.858 -4.844 156 HA ALA 22 HA ALA 22 -4.843 -4.484 -3.925 157 1HB ALA 22 1HB ALA 22 -7.123 -5.587 -2.288 158 2HB ALA 22 2HB ALA 22 -7.091 -4.034 -3.121 159 3HB ALA 22 3HB ALA 22 -6.003 -4.327 -1.762 160 H ALA 23 H ALA 23 -5.969 -7.731 -3.029 161 HA ALA 23 HA ALA 23 -3.958 -8.239 -1.100 162 1HB ALA 23 1HB ALA 23 -6.062 -9.526 -1.299 163 2HB ALA 23 2HB ALA 23 -5.455 -10.254 -2.786 164 3HB ALA 23 3HB ALA 23 -4.631 -10.552 -1.254 165 H THR 24 H THR 24 -4.154 -8.778 -4.595 166 HA THR 24 HA THR 24 -1.800 -10.290 -4.891 167 HB THR 24 HB THR 24 -3.027 -8.355 -6.871 168 HG1 THR 24 HG1 THR 24 -3.561 -11.126 -6.463 169 1HG2 THR 24 1HG2 THR 24 -1.296 -10.766 -7.319 170 2HG2 THR 24 2HG2 THR 24 -2.095 -9.831 -8.570 171 3HG2 THR 24 3HG2 THR 24 -0.838 -9.082 -7.590 172 H VAL 25 H VAL 25 -2.381 -6.793 -4.970 173 HA VAL 25 HA VAL 25 0.281 -6.069 -5.643 174 HB VAL 25 HB VAL 25 -1.776 -4.425 -4.165 175 1HG1 VAL 25 1HG1 VAL 25 0.936 -3.865 -4.908 176 2HG1 VAL 25 2HG1 VAL 25 -0.142 -2.857 -5.850 177 3HG1 VAL 25 3HG1 VAL 25 -0.239 -2.838 -4.106 178 1HG2 VAL 25 1HG2 VAL 25 -1.384 -4.976 -7.091 179 2HG2 VAL 25 2HG2 VAL 25 -2.851 -5.010 -6.131 180 3HG2 VAL 25 3HG2 VAL 25 -2.129 -3.475 -6.540 181 H GLU 26 H GLU 26 -1.446 -6.203 -2.533 182 HA GLU 26 HA GLU 26 0.777 -5.364 -0.966 183 1HB GLU 26 1HB GLU 26 -0.524 -6.096 0.946 184 2HB GLU 26 2HB GLU 26 -1.583 -7.036 -0.093 185 1HG GLU 26 1HG GLU 26 -1.803 -4.522 -1.201 186 2HG GLU 26 2HG GLU 26 -2.935 -5.303 -0.104 187 H ARG 27 H ARG 27 -0.278 -8.502 -2.156 188 HA ARG 27 HA ARG 27 1.529 -9.957 -0.428 189 1HB ARG 27 1HB ARG 27 -0.690 -10.805 -1.312 190 2HB ARG 27 2HB ARG 27 0.094 -11.028 -2.870 191 1HG ARG 27 1HG ARG 27 1.408 -12.761 -2.109 192 2HG ARG 27 2HG ARG 27 1.318 -12.242 -0.424 193 1HD ARG 27 1HD ARG 27 -0.031 -14.078 -0.418 194 2HD ARG 27 2HD ARG 27 -1.222 -12.800 -0.646 195 HE ARG 27 HE ARG 27 -0.628 -13.506 -3.188 196 1HH1 ARG 27 1HH1 ARG 27 -1.561 -15.391 -0.367 197 2HH1 ARG 27 2HH1 ARG 27 -2.319 -16.615 -1.310 198 1HH2 ARG 27 1HH2 ARG 27 -1.647 -15.142 -4.402 199 2HH2 ARG 27 2HH2 ARG 27 -2.374 -16.486 -3.585 200 H GLU 28 H GLU 28 1.329 -9.363 -3.949 201 HA GLU 28 HA GLU 28 3.844 -10.545 -4.533 202 1HB GLU 28 1HB GLU 28 2.151 -8.555 -6.047 203 2HB GLU 28 2HB GLU 28 3.657 -9.192 -6.679 204 1HG GLU 28 1HG GLU 28 2.705 -11.491 -6.439 205 2HG GLU 28 2HG GLU 28 1.160 -10.741 -6.037 206 H ASN 29 H ASN 29 2.873 -7.293 -3.576 207 HA ASN 29 HA ASN 29 5.737 -6.567 -3.451 208 1HB ASN 29 1HB ASN 29 4.645 -5.418 -5.323 209 2HB ASN 29 2HB ASN 29 3.447 -4.742 -4.224 210 2HD2 ASN 29 2HD2 ASN 29 5.151 -3.217 -5.887 211 1HD2 ASN 29 1HD2 ASN 29 6.220 -2.329 -4.876 212 H ARG 30 H ARG 30 5.622 -7.297 -1.265 213 HA ARG 30 HA ARG 30 3.884 -6.214 0.680 214 1HB ARG 30 1HB ARG 30 5.601 -6.978 2.306 215 2HB ARG 30 2HB ARG 30 5.092 -8.211 1.166 216 1HG ARG 30 1HG ARG 30 7.102 -8.006 -0.103 217 2HG ARG 30 2HG ARG 30 7.608 -6.590 0.817 218 1HD ARG 30 1HD ARG 30 7.282 -9.393 1.863 219 2HD ARG 30 2HD ARG 30 8.799 -8.592 1.517 220 HE ARG 30 HE ARG 30 6.896 -7.860 3.665 221 1HH1 ARG 30 1HH1 ARG 30 10.171 -7.837 2.374 222 2HH1 ARG 30 2HH1 ARG 30 10.833 -7.144 3.802 223 1HH2 ARG 30 1HH2 ARG 30 7.815 -6.936 5.531 224 2HH2 ARG 30 2HH2 ARG 30 9.519 -6.627 5.585 225 H ASN 31 H ASN 31 6.318 -4.648 -1.093 226 HA ASN 31 HA ASN 31 7.101 -2.832 1.014 227 1HB ASN 31 1HB ASN 31 8.684 -3.596 -0.735 228 2HB ASN 31 2HB ASN 31 7.746 -2.738 -1.944 229 2HD2 ASN 31 2HD2 ASN 31 7.998 -0.558 -2.171 230 1HD2 ASN 31 1HD2 ASN 31 9.111 0.366 -1.230 231 H VAL 32 H VAL 32 4.364 -3.099 -0.851 232 HA VAL 32 HA VAL 32 3.806 -0.230 -0.569 233 HB VAL 32 HB VAL 32 2.941 0.006 -2.740 234 1HG1 VAL 32 1HG1 VAL 32 5.512 -1.545 -2.956 235 2HG1 VAL 32 2HG1 VAL 32 4.857 -0.511 -4.200 236 3HG1 VAL 32 3HG1 VAL 32 5.370 0.156 -2.651 237 1HG2 VAL 32 1HG2 VAL 32 3.101 -2.986 -2.914 238 2HG2 VAL 32 2HG2 VAL 32 1.739 -1.921 -3.223 239 3HG2 VAL 32 3HG2 VAL 32 3.063 -2.009 -4.376 240 H HIS 33 H HIS 33 1.421 0.172 -1.070 241 HA HIS 33 HA HIS 33 -0.222 -2.083 -0.179 242 1HB HIS 33 1HB HIS 33 -1.170 -1.008 1.612 243 2HB HIS 33 2HB HIS 33 0.448 -0.342 1.681 244 HD1 HIS 33 HD1 HIS 33 -2.606 0.820 2.439 245 HD2 HIS 33 HD2 HIS 33 0.110 2.143 -0.377 246 HE1 HIS 33 HE1 HIS 33 -3.177 3.234 2.033 247 HE2 HIS 33 HE2 HIS 33 -1.427 4.047 0.415 248 H ALA 34 H ALA 34 -2.166 -2.265 -1.155 249 HA ALA 34 HA ALA 34 -2.735 -0.317 -3.256 250 1HB ALA 34 1HB ALA 34 -4.248 -2.198 -4.097 251 2HB ALA 34 2HB ALA 34 -2.507 -2.396 -4.217 252 3HB ALA 34 3HB ALA 34 -3.396 -3.215 -2.938 253 H ILE 35 H ILE 35 -4.408 1.008 -3.093 254 HA ILE 35 HA ILE 35 -6.341 0.579 -0.916 255 HB ILE 35 HB ILE 35 -6.069 3.012 -2.629 256 1HG1 ILE 35 1HG1 ILE 35 -4.795 2.650 0.078 257 2HG1 ILE 35 2HG1 ILE 35 -3.911 2.384 -1.417 258 1HG2 ILE 35 1HG2 ILE 35 -7.272 2.540 0.085 259 2HG2 ILE 35 2HG2 ILE 35 -7.151 4.112 -0.688 260 3HG2 ILE 35 3HG2 ILE 35 -8.154 2.853 -1.404 261 1HD1 ILE 35 1HD1 ILE 35 -5.239 4.993 -0.744 262 2HD1 ILE 35 2HD1 ILE 35 -3.560 4.597 -0.394 263 3HD1 ILE 35 3HD1 ILE 35 -4.113 4.630 -2.051 264 H VAL 36 H VAL 36 -8.109 -0.523 -1.510 265 HA VAL 36 HA VAL 36 -9.011 -0.559 -4.235 266 HB VAL 36 HB VAL 36 -9.083 -2.541 -2.744 267 1HG1 VAL 36 1HG1 VAL 36 -9.929 -1.278 -0.731 268 2HG1 VAL 36 2HG1 VAL 36 -11.523 -1.286 -1.494 269 3HG1 VAL 36 3HG1 VAL 36 -10.733 -2.802 -1.078 270 1HG2 VAL 36 1HG2 VAL 36 -11.671 -1.659 -4.026 271 2HG2 VAL 36 2HG2 VAL 36 -10.354 -2.552 -4.772 272 3HG2 VAL 36 3HG2 VAL 36 -11.311 -3.307 -3.519 273 H LEU 37 H LEU 37 -10.398 0.718 -5.163 274 HA LEU 37 HA LEU 37 -12.611 1.905 -3.724 275 1HB LEU 37 1HB LEU 37 -11.851 4.209 -4.703 276 2HB LEU 37 2HB LEU 37 -11.314 3.660 -3.146 277 HG LEU 37 HG LEU 37 -9.279 2.707 -4.686 278 1HD1 LEU 37 1HD1 LEU 37 -10.237 3.615 -6.737 279 2HD1 LEU 37 2HD1 LEU 37 -10.171 5.236 -6.046 280 3HD1 LEU 37 3HD1 LEU 37 -8.682 4.347 -6.349 281 1HD2 LEU 37 1HD2 LEU 37 -9.682 4.892 -2.866 282 2HD2 LEU 37 2HD2 LEU 37 -8.246 3.945 -3.215 283 3HD2 LEU 37 3HD2 LEU 37 -8.592 5.386 -4.154 284 H LYS 38 H LYS 38 -14.217 2.694 -5.115 285 HA LYS 38 HA LYS 38 -14.041 1.594 -7.801 286 1HB LYS 38 1HB LYS 38 -16.003 1.061 -6.529 287 2HB LYS 38 2HB LYS 38 -16.446 2.025 -7.925 288 1HG LYS 38 1HG LYS 38 -16.730 2.557 -5.067 289 2HG LYS 38 2HG LYS 38 -16.056 3.933 -5.938 290 1HD LYS 38 1HD LYS 38 -17.925 3.954 -7.457 291 2HD LYS 38 2HD LYS 38 -18.572 2.474 -6.741 292 1HE LYS 38 1HE LYS 38 -18.307 4.148 -4.554 293 2HE LYS 38 2HE LYS 38 -18.769 5.249 -5.855 294 1HZ LYS 38 1HZ LYS 38 -20.693 3.860 -6.304 295 2HZ LYS 38 2HZ LYS 38 -20.242 2.791 -5.065 296 3HZ LYS 38 3HZ LYS 38 -20.691 4.371 -4.690 297 H GLU 39 H GLU 39 -14.763 2.755 -9.679 298 HA GLU 39 HA GLU 39 -13.411 5.051 -10.231 299 1HB GLU 39 1HB GLU 39 -15.652 3.602 -11.451 300 2HB GLU 39 2HB GLU 39 -15.695 5.318 -11.810 301 1HG GLU 39 1HG GLU 39 -13.101 4.827 -12.339 302 2HG GLU 39 2HG GLU 39 -13.776 3.229 -12.647 303 H GLY 40 H GLY 40 -13.525 7.118 -9.607 304 1HA GLY 40 1HA GLY 40 -14.822 9.124 -9.389 305 2HA GLY 40 2HA GLY 40 -16.149 8.190 -8.725 306 H SER 41 H SER 41 -13.693 6.763 -7.230 307 HA SER 41 HA SER 41 -14.129 8.120 -4.773 308 1HB SER 41 1HB SER 41 -13.589 5.723 -4.879 309 2HB SER 41 2HB SER 41 -12.000 6.111 -5.527 310 HG SER 41 HG SER 41 -13.022 6.610 -2.941 311 H ALA 42 H ALA 42 -11.655 8.269 -3.563 312 HA ALA 42 HA ALA 42 -10.612 10.722 -4.749 313 1HB ALA 42 1HB ALA 42 -9.386 10.909 -2.609 314 2HB ALA 42 2HB ALA 42 -11.131 10.777 -2.408 315 3HB ALA 42 3HB ALA 42 -10.104 9.379 -2.100 316 H MET 43 H MET 43 -9.264 10.207 -6.418 317 HA MET 43 HA MET 43 -6.984 8.473 -5.756 318 1HB MET 43 1HB MET 43 -7.011 8.125 -8.368 319 2HB MET 43 2HB MET 43 -7.912 7.100 -7.269 320 1HG MET 43 1HG MET 43 -9.951 8.291 -7.698 321 2HG MET 43 2HG MET 43 -9.094 9.468 -8.697 322 1HE MET 43 1HE MET 43 -7.493 8.602 -10.603 323 2HE MET 43 2HE MET 43 -7.100 6.924 -10.232 324 3HE MET 43 3HE MET 43 -7.964 7.325 -11.721 325 H THR 44 H THR 44 -5.559 10.019 -5.247 326 HA THR 44 HA THR 44 -5.230 12.423 -6.687 327 HB THR 44 HB THR 44 -2.807 12.134 -5.525 328 HG1 THR 44 HG1 THR 44 -3.397 10.929 -3.482 329 1HG2 THR 44 1HG2 THR 44 -4.436 13.852 -4.919 330 2HG2 THR 44 2HG2 THR 44 -5.309 12.663 -3.949 331 3HG2 THR 44 3HG2 THR 44 -3.665 13.127 -3.508 332 H LYS 45 H LYS 45 -3.592 13.044 -8.133 333 HA LYS 45 HA LYS 45 -2.845 10.927 -9.980 334 1HB LYS 45 1HB LYS 45 -2.817 13.909 -10.002 335 2HB LYS 45 2HB LYS 45 -1.737 13.075 -11.104 336 1HG LYS 45 1HG LYS 45 -3.363 12.616 -12.517 337 2HG LYS 45 2HG LYS 45 -4.368 11.899 -11.259 338 1HD LYS 45 1HD LYS 45 -5.536 13.751 -12.256 339 2HD LYS 45 2HD LYS 45 -5.103 14.164 -10.594 340 1HE LYS 45 1HE LYS 45 -3.251 15.507 -11.370 341 2HE LYS 45 2HE LYS 45 -3.523 14.987 -13.033 342 1HZ LYS 45 1HZ LYS 45 -5.469 16.544 -11.412 343 2HZ LYS 45 2HZ LYS 45 -4.402 17.205 -12.559 344 3HZ LYS 45 3HZ LYS 45 -5.614 16.136 -13.046 345 H ASP 46 H ASP 46 -1.366 12.805 -7.472 346 HA ASP 46 HA ASP 46 1.286 12.823 -8.139 347 1HB ASP 46 1HB ASP 46 0.086 12.219 -5.426 348 2HB ASP 46 2HB ASP 46 1.762 12.694 -5.704 349 H PHE 47 H PHE 47 2.984 11.417 -8.083 350 HA PHE 47 HA PHE 47 2.302 8.600 -8.273 351 1HB PHE 47 1HB PHE 47 3.769 9.453 -9.939 352 2HB PHE 47 2HB PHE 47 4.839 10.162 -8.735 353 HD1 PHE 47 HD1 PHE 47 3.747 7.030 -10.315 354 HD2 PHE 47 HD2 PHE 47 6.479 8.831 -7.582 355 HE1 PHE 47 HE1 PHE 47 5.093 4.993 -10.313 356 HE2 PHE 47 HE2 PHE 47 7.816 6.771 -7.562 357 HZ PHE 47 HZ PHE 47 7.114 4.844 -8.941 358 H ARG 48 H ARG 48 2.690 7.067 -6.789 359 HA ARG 48 HA ARG 48 4.613 7.523 -4.634 360 1HB ARG 48 1HB ARG 48 1.677 7.576 -4.290 361 2HB ARG 48 2HB ARG 48 2.516 6.505 -3.180 362 1HG ARG 48 1HG ARG 48 3.970 8.392 -2.520 363 2HG ARG 48 2HG ARG 48 3.016 9.443 -3.566 364 1HD ARG 48 1HD ARG 48 1.674 9.790 -1.825 365 2HD ARG 48 2HD ARG 48 1.098 8.145 -2.033 366 HE ARG 48 HE ARG 48 2.231 7.523 -0.156 367 1HH1 ARG 48 1HH1 ARG 48 3.429 10.656 -1.199 368 2HH1 ARG 48 2HH1 ARG 48 4.388 10.880 0.215 369 1HH2 ARG 48 1HH2 ARG 48 3.517 7.847 1.704 370 2HH2 ARG 48 2HH2 ARG 48 4.453 9.298 1.858 371 H CYS 49 H CYS 49 5.864 5.796 -4.857 372 HA CYS 49 HA CYS 49 5.132 3.376 -6.016 373 1HB CYS 49 1HB CYS 49 7.400 4.134 -4.212 374 2HB CYS 49 2HB CYS 49 7.230 2.488 -4.809 375 H ASP 50 H ASP 50 5.003 4.407 -2.671 376 HA ASP 50 HA ASP 50 4.467 1.752 -1.675 377 1HB ASP 50 1HB ASP 50 4.000 2.927 0.472 378 2HB ASP 50 2HB ASP 50 5.579 3.281 -0.214 379 H ARG 51 H ARG 51 2.556 3.868 -3.420 380 HA ARG 51 HA ARG 51 0.120 2.771 -2.205 381 1HB ARG 51 1HB ARG 51 0.461 5.232 -1.851 382 2HB ARG 51 2HB ARG 51 0.362 5.439 -3.596 383 1HG ARG 51 1HG ARG 51 -1.922 4.386 -3.491 384 2HG ARG 51 2HG ARG 51 -1.779 4.434 -1.734 385 1HD ARG 51 1HD ARG 51 -2.970 6.370 -2.317 386 2HD ARG 51 2HD ARG 51 -1.331 6.904 -1.966 387 HE ARG 51 HE ARG 51 -1.953 6.335 -4.764 388 1HH1 ARG 51 1HH1 ARG 51 -1.705 8.792 -2.256 389 2HH1 ARG 51 2HH1 ARG 51 -1.479 10.069 -3.384 390 1HH2 ARG 51 1HH2 ARG 51 -1.705 8.065 -6.226 391 2HH2 ARG 51 2HH2 ARG 51 -1.489 9.667 -5.628 392 H VAL 52 H VAL 52 -1.278 1.770 -3.496 393 HA VAL 52 HA VAL 52 -0.914 2.023 -6.418 394 HB VAL 52 HB VAL 52 -1.462 -0.587 -4.986 395 1HG1 VAL 52 1HG1 VAL 52 -0.976 0.059 -7.886 396 2HG1 VAL 52 2HG1 VAL 52 -1.106 -1.564 -7.226 397 3HG1 VAL 52 3HG1 VAL 52 -2.489 -0.486 -7.186 398 1HG2 VAL 52 1HG2 VAL 52 1.071 0.560 -6.128 399 2HG2 VAL 52 2HG2 VAL 52 0.787 -0.110 -4.530 400 3HG2 VAL 52 3HG2 VAL 52 0.847 -1.155 -5.932 401 H TRP 53 H TRP 53 -2.740 2.803 -7.247 402 HA TRP 53 HA TRP 53 -5.189 2.744 -5.755 403 1HB TRP 53 1HB TRP 53 -4.409 3.823 -8.449 404 2HB TRP 53 2HB TRP 53 -6.089 3.817 -7.945 405 HD1 TRP 53 HD1 TRP 53 -3.987 6.366 -8.479 406 HE1 TRP 53 HE1 TRP 53 -4.038 8.248 -6.725 407 HE3 TRP 53 HE3 TRP 53 -6.094 3.801 -4.619 408 HZ2 TRP 53 HZ2 TRP 53 -4.859 8.575 -4.041 409 HZ3 TRP 53 HZ3 TRP 53 -6.491 4.983 -2.513 410 HH2 TRP 53 HH2 TRP 53 -5.869 7.298 -2.209 411 H VAL 54 H VAL 54 -6.881 1.416 -5.931 412 HA VAL 54 HA VAL 54 -6.851 -0.551 -8.152 413 HB VAL 54 HB VAL 54 -7.664 -0.834 -5.276 414 1HG1 VAL 54 1HG1 VAL 54 -8.273 -2.723 -7.531 415 2HG1 VAL 54 2HG1 VAL 54 -8.499 -3.078 -5.827 416 3HG1 VAL 54 3HG1 VAL 54 -9.471 -1.837 -6.605 417 1HG2 VAL 54 1HG2 VAL 54 -5.324 -1.229 -5.772 418 2HG2 VAL 54 2HG2 VAL 54 -6.130 -2.726 -5.314 419 3HG2 VAL 54 3HG2 VAL 54 -5.778 -2.400 -7.009 420 H ILE 55 H ILE 55 -8.103 0.714 -9.516 421 HA ILE 55 HA ILE 55 -10.616 1.822 -8.650 422 HB ILE 55 HB ILE 55 -9.819 1.482 -11.522 423 1HG1 ILE 55 1HG1 ILE 55 -7.876 2.474 -10.430 424 2HG1 ILE 55 2HG1 ILE 55 -8.715 3.693 -11.367 425 1HG2 ILE 55 1HG2 ILE 55 -11.487 3.521 -10.061 426 2HG2 ILE 55 2HG2 ILE 55 -11.106 3.560 -11.783 427 3HG2 ILE 55 3HG2 ILE 55 -12.073 2.247 -11.124 428 1HD1 ILE 55 1HD1 ILE 55 -9.791 4.501 -9.293 429 2HD1 ILE 55 2HD1 ILE 55 -8.831 3.325 -8.397 430 3HD1 ILE 55 3HD1 ILE 55 -8.042 4.624 -9.278 431 H VAL 56 H VAL 56 -12.459 0.727 -8.494 432 HA VAL 56 HA VAL 56 -12.853 -1.622 -10.208 433 HB VAL 56 HB VAL 56 -14.196 -2.609 -8.417 434 1HG1 VAL 56 1HG1 VAL 56 -11.303 -2.125 -8.187 435 2HG1 VAL 56 2HG1 VAL 56 -12.089 -2.674 -6.719 436 3HG1 VAL 56 3HG1 VAL 56 -12.219 -3.630 -8.185 437 1HG2 VAL 56 1HG2 VAL 56 -14.870 -0.547 -7.284 438 2HG2 VAL 56 2HG2 VAL 56 -14.149 -1.698 -6.161 439 3HG2 VAL 56 3HG2 VAL 56 -13.219 -0.331 -6.734 440 H ASN 57 H ASN 57 -15.137 -2.201 -10.547 441 HA ASN 57 HA ASN 57 -16.609 0.188 -11.310 442 1HB ASN 57 1HB ASN 57 -16.426 -1.731 -12.838 443 2HB ASN 57 2HB ASN 57 -18.086 -1.339 -12.483 444 2HD2 ASN 57 2HD2 ASN 57 -17.462 -3.773 -13.529 445 1HD2 ASN 57 1HD2 ASN 57 -17.685 -4.989 -12.319 446 H ASP 58 H ASP 58 -19.160 -0.263 -11.102 447 HA ASP 58 HA ASP 58 -19.827 0.330 -8.473 448 1HB ASP 58 1HB ASP 58 -21.284 -0.280 -10.968 449 2HB ASP 58 2HB ASP 58 -22.182 -0.692 -9.515 450 H HIS 59 H HIS 59 -19.307 -2.774 -9.921 451 HA HIS 59 HA HIS 59 -20.720 -4.191 -7.816 452 1HB HIS 59 1HB HIS 59 -19.220 -5.082 -10.280 453 2HB HIS 59 2HB HIS 59 -19.830 -6.217 -9.084 454 HD1 HIS 59 HD1 HIS 59 -22.492 -6.148 -8.712 455 HD2 HIS 59 HD2 HIS 59 -21.052 -4.308 -12.147 456 HE1 HIS 59 HE1 HIS 59 -24.483 -5.904 -10.225 457 HE2 HIS 59 HE2 HIS 59 -23.610 -4.687 -12.253 458 H GLY 60 H GLY 60 -17.488 -3.125 -8.522 459 1HA GLY 60 1HA GLY 60 -15.904 -3.060 -6.746 460 2HA GLY 60 2HA GLY 60 -16.537 -4.574 -6.126 461 H VAL 61 H VAL 61 -16.070 -4.209 -9.557 462 HA VAL 61 HA VAL 61 -13.875 -6.142 -9.454 463 HB VAL 61 HB VAL 61 -15.545 -5.325 -11.830 464 1HG1 VAL 61 1HG1 VAL 61 -13.634 -7.614 -11.406 465 2HG1 VAL 61 2HG1 VAL 61 -14.655 -7.393 -12.826 466 3HG1 VAL 61 3HG1 VAL 61 -13.390 -6.226 -12.465 467 1HG2 VAL 61 1HG2 VAL 61 -15.836 -7.714 -10.011 468 2HG2 VAL 61 2HG2 VAL 61 -16.968 -6.372 -10.165 469 3HG2 VAL 61 3HG2 VAL 61 -16.714 -7.465 -11.522 470 H VAL 62 H VAL 62 -11.858 -5.607 -10.178 471 HA VAL 62 HA VAL 62 -11.197 -2.890 -10.498 472 HB VAL 62 HB VAL 62 -9.512 -5.281 -11.237 473 1HG1 VAL 62 1HG1 VAL 62 -8.764 -2.390 -10.759 474 2HG1 VAL 62 2HG1 VAL 62 -7.639 -3.718 -10.945 475 3HG1 VAL 62 3HG1 VAL 62 -8.666 -3.274 -12.286 476 1HG2 VAL 62 1HG2 VAL 62 -9.644 -3.676 -8.692 477 2HG2 VAL 62 2HG2 VAL 62 -10.192 -5.320 -8.893 478 3HG2 VAL 62 3HG2 VAL 62 -8.498 -4.943 -9.048 479 H THR 63 H THR 63 -11.626 -1.647 -12.201 480 HA THR 63 HA THR 63 -11.910 -2.876 -14.860 481 HB THR 63 HB THR 63 -13.008 -0.840 -15.513 482 HG1 THR 63 HG1 THR 63 -12.093 0.823 -14.512 483 1HG2 THR 63 1HG2 THR 63 -14.396 -2.432 -14.274 484 2HG2 THR 63 2HG2 THR 63 -14.002 -1.584 -12.777 485 3HG2 THR 63 3HG2 THR 63 -14.905 -0.760 -14.050 486 H SER 64 H SER 64 -9.948 -0.533 -13.090 487 HA SER 64 HA SER 64 -8.402 -0.022 -15.552 488 1HB SER 64 1HB SER 64 -8.471 1.484 -12.937 489 2HB SER 64 2HB SER 64 -7.449 1.889 -14.307 490 HG SER 64 HG SER 64 -10.233 2.110 -14.055 491 H VAL 65 H VAL 65 -6.106 0.068 -15.392 492 HA VAL 65 HA VAL 65 -4.996 -2.254 -14.253 493 HB VAL 65 HB VAL 65 -3.334 0.096 -15.125 494 1HG1 VAL 65 1HG1 VAL 65 -2.857 -2.714 -14.500 495 2HG1 VAL 65 2HG1 VAL 65 -2.217 -2.238 -16.074 496 3HG1 VAL 65 3HG1 VAL 65 -1.744 -1.354 -14.634 497 1HG2 VAL 65 1HG2 VAL 65 -4.795 -1.881 -16.869 498 2HG2 VAL 65 2HG2 VAL 65 -4.923 -0.121 -16.879 499 3HG2 VAL 65 3HG2 VAL 65 -3.446 -0.904 -17.416 500 1HB PRO 66 1HB PRO 66 -3.405 -2.868 -9.184 501 2HB PRO 66 2HB PRO 66 -4.900 -1.976 -8.942 502 1HG PRO 66 1HG PRO 66 -4.692 -4.320 -10.326 503 2HG PRO 66 2HG PRO 66 -6.007 -3.195 -10.448 504 1HD PRO 66 1HD PRO 66 -3.707 -3.583 -12.277 505 2HD PRO 66 2HD PRO 66 -5.395 -3.195 -12.641 506 H HIS 67 H HIS 67 -2.280 0.817 -10.914 507 HA HIS 67 HA HIS 67 0.231 -0.681 -10.514 508 1HB HIS 67 1HB HIS 67 1.256 0.872 -12.222 509 2HB HIS 67 2HB HIS 67 0.081 -0.270 -12.855 510 HD1 HIS 67 HD1 HIS 67 -2.469 0.870 -12.963 511 HD2 HIS 67 HD2 HIS 67 0.824 3.335 -13.239 512 HE1 HIS 67 HE1 HIS 67 -3.346 3.012 -13.914 513 HE2 HIS 67 HE2 HIS 67 -1.308 4.471 -14.157 514 H ILE 68 H ILE 68 1.939 0.426 -9.619 515 HA ILE 68 HA ILE 68 1.546 1.954 -7.437 516 HB ILE 68 HB ILE 68 3.815 1.334 -9.157 517 1HG1 ILE 68 1HG1 ILE 68 3.648 1.900 -6.210 518 2HG1 ILE 68 2HG1 ILE 68 3.302 0.347 -6.934 519 1HG2 ILE 68 1HG2 ILE 68 3.881 3.999 -7.754 520 2HG2 ILE 68 2HG2 ILE 68 5.309 3.130 -8.290 521 3HG2 ILE 68 3HG2 ILE 68 4.129 3.627 -9.462 522 1HD1 ILE 68 1HD1 ILE 68 5.874 1.166 -7.846 523 2HD1 ILE 68 2HD1 ILE 68 5.416 -0.199 -6.846 524 3HD1 ILE 68 3HD1 ILE 68 5.805 1.334 -6.105 525 H THR 69 H THR 69 0.394 3.746 -7.218 526 HA THR 69 HA THR 69 1.139 6.146 -8.682 527 HB THR 69 HB THR 69 -1.543 4.803 -9.021 528 HG1 THR 69 HG1 THR 69 -1.001 4.770 -11.091 529 1HG2 THR 69 1HG2 THR 69 -2.016 7.157 -8.468 530 2HG2 THR 69 2HG2 THR 69 -0.911 7.656 -9.724 531 3HG2 THR 69 3HG2 THR 69 -2.373 6.771 -10.139 No H/Q in entry = 531 Start of MODEL 18 1 H SER 1 H SER 1 12.034 9.115 -7.391 2 HA SER 1 HA SER 1 9.593 8.868 -9.112 3 1HB SER 1 1HB SER 1 11.271 10.717 -9.322 4 2HB SER 1 2HB SER 1 12.463 9.557 -9.940 5 HG SER 1 HG SER 1 11.263 10.614 -11.606 6 H ARG 2 H ARG 2 9.209 6.640 -8.781 7 HA ARG 2 HA ARG 2 8.926 4.469 -9.324 8 1HB ARG 2 1HB ARG 2 8.982 5.713 -11.658 9 2HB ARG 2 2HB ARG 2 10.483 4.833 -11.871 10 1HG ARG 2 1HG ARG 2 8.907 2.809 -11.092 11 2HG ARG 2 2HG ARG 2 7.680 3.873 -11.775 12 1HD ARG 2 1HD ARG 2 9.861 3.810 -13.615 13 2HD ARG 2 2HD ARG 2 9.584 2.162 -13.067 14 HE ARG 2 HE ARG 2 7.102 3.289 -13.724 15 1HH1 ARG 2 1HH1 ARG 2 10.080 2.291 -15.297 16 2HH1 ARG 2 2HH1 ARG 2 9.289 1.909 -16.782 17 1HH2 ARG 2 1HH2 ARG 2 6.089 2.799 -15.696 18 2HH2 ARG 2 2HH2 ARG 2 7.031 2.185 -17.015 19 H ARG 3 H ARG 3 10.410 3.957 -7.575 20 HA ARG 3 HA ARG 3 12.485 2.186 -8.476 21 1HB ARG 3 1HB ARG 3 13.311 4.793 -8.059 22 2HB ARG 3 2HB ARG 3 13.676 4.067 -6.513 23 1HG ARG 3 1HG ARG 3 14.573 2.930 -9.155 24 2HG ARG 3 2HG ARG 3 15.516 4.060 -8.192 25 1HD ARG 3 1HD ARG 3 14.942 2.200 -6.309 26 2HD ARG 3 2HD ARG 3 14.900 1.206 -7.752 27 HE ARG 3 HE ARG 3 17.159 1.839 -8.249 28 1HH1 ARG 3 1HH1 ARG 3 16.074 2.576 -4.975 29 2HH1 ARG 3 2HH1 ARG 3 17.673 2.634 -4.353 30 1HH2 ARG 3 1HH2 ARG 3 19.258 1.911 -7.374 31 2HH2 ARG 3 2HH2 ARG 3 19.475 2.254 -5.689 32 H CYS 4 H CYS 4 10.639 1.055 -7.369 33 HA CYS 4 HA CYS 4 11.351 0.717 -4.530 34 1HB CYS 4 1HB CYS 4 8.877 0.290 -4.101 35 2HB CYS 4 2HB CYS 4 9.357 1.957 -4.387 36 1HB PRO 5 1HB PRO 5 10.877 -4.657 -3.121 37 2HB PRO 5 2HB PRO 5 12.466 -3.975 -3.460 38 1HG PRO 5 1HG PRO 5 10.166 -2.745 -2.059 39 2HG PRO 5 2HG PRO 5 11.876 -2.674 -1.645 40 1HD PRO 5 1HD PRO 5 10.584 -0.644 -2.855 41 2HD PRO 5 2HD PRO 5 12.296 -0.985 -3.177 42 H GLY 6 H GLY 6 10.300 -5.300 -6.119 43 1HA GLY 6 1HA GLY 6 8.328 -6.491 -6.300 44 2HA GLY 6 2HA GLY 6 7.451 -5.251 -5.423 45 H LYS 7 H LYS 7 6.150 -6.161 -7.457 46 HA LYS 7 HA LYS 7 6.757 -5.070 -10.003 47 1HB LYS 7 1HB LYS 7 5.281 -7.019 -9.451 48 2HB LYS 7 2HB LYS 7 4.076 -5.895 -8.960 49 1HG LYS 7 1HG LYS 7 3.739 -5.040 -11.090 50 2HG LYS 7 2HG LYS 7 5.229 -5.757 -11.706 51 1HD LYS 7 1HD LYS 7 2.743 -7.241 -10.870 52 2HD LYS 7 2HD LYS 7 3.316 -6.998 -12.506 53 1HE LYS 7 1HE LYS 7 5.403 -8.228 -11.865 54 2HE LYS 7 2HE LYS 7 4.628 -8.622 -10.331 55 1HZ LYS 7 1HZ LYS 7 2.869 -9.741 -11.538 56 2HZ LYS 7 2HZ LYS 7 3.627 -9.395 -13.008 57 3HZ LYS 7 3HZ LYS 7 4.381 -10.414 -11.881 58 H ASN 8 H ASN 8 5.775 -3.310 -11.117 59 HA ASN 8 HA ASN 8 4.942 -1.137 -9.328 60 1HB ASN 8 1HB ASN 8 6.903 -1.305 -11.323 61 2HB ASN 8 2HB ASN 8 5.662 -0.238 -11.971 62 2HD2 ASN 8 2HD2 ASN 8 8.495 0.021 -10.750 63 1HD2 ASN 8 1HD2 ASN 8 8.309 1.351 -9.665 64 H ALA 9 H ALA 9 3.784 -3.083 -11.904 65 HA ALA 9 HA ALA 9 1.280 -1.644 -11.871 66 1HB ALA 9 1HB ALA 9 2.790 -2.115 -14.422 67 2HB ALA 9 2HB ALA 9 1.154 -1.462 -14.306 68 3HB ALA 9 3HB ALA 9 2.520 -0.545 -13.671 69 H TRP 10 H TRP 10 -0.369 -3.027 -11.802 70 HA TRP 10 HA TRP 10 0.184 -5.829 -12.600 71 1HB TRP 10 1HB TRP 10 -1.698 -4.692 -10.534 72 2HB TRP 10 2HB TRP 10 -1.678 -6.364 -11.052 73 HD1 TRP 10 HD1 TRP 10 0.127 -7.957 -10.033 74 HE1 TRP 10 HE1 TRP 10 1.980 -7.644 -8.269 75 HE3 TRP 10 HE3 TRP 10 0.002 -2.884 -9.604 76 HZ2 TRP 10 HZ2 TRP 10 3.212 -5.506 -6.883 77 HZ3 TRP 10 HZ3 TRP 10 1.524 -1.768 -8.050 78 HH2 TRP 10 HH2 TRP 10 3.099 -3.057 -6.703 79 1HB PRO 11 1HB PRO 11 -1.867 -5.503 -17.747 80 2HB PRO 11 2HB PRO 11 -1.483 -3.832 -17.348 81 1HG PRO 11 1HG PRO 11 0.641 -4.761 -17.201 82 2HG PRO 11 2HG PRO 11 0.006 -6.330 -16.671 83 1HD PRO 11 1HD PRO 11 0.714 -5.551 -14.658 84 2HD PRO 11 2HD PRO 11 0.446 -3.842 -15.074 85 H GLU 12 H GLU 12 -1.556 -7.293 -15.157 86 HA GLU 12 HA GLU 12 -3.690 -8.764 -16.265 87 1HB GLU 12 1HB GLU 12 -1.486 -9.737 -15.909 88 2HB GLU 12 2HB GLU 12 -2.742 -10.674 -15.112 89 1HG GLU 12 1HG GLU 12 -1.970 -8.968 -13.100 90 2HG GLU 12 2HG GLU 12 -1.453 -10.635 -13.331 91 H LEU 13 H LEU 13 -3.660 -6.887 -13.430 92 HA LEU 13 HA LEU 13 -5.450 -8.562 -11.933 93 1HB LEU 13 1HB LEU 13 -4.359 -5.797 -11.565 94 2HB LEU 13 2HB LEU 13 -5.723 -6.329 -10.608 95 HG LEU 13 HG LEU 13 -2.970 -7.548 -10.626 96 1HD1 LEU 13 1HD1 LEU 13 -3.184 -5.444 -9.386 97 2HD1 LEU 13 2HD1 LEU 13 -4.490 -6.105 -8.484 98 3HD1 LEU 13 3HD1 LEU 13 -2.898 -6.789 -8.314 99 1HD2 LEU 13 1HD2 LEU 13 -5.562 -8.627 -9.775 100 2HD2 LEU 13 2HD2 LEU 13 -4.038 -9.436 -10.124 101 3HD2 LEU 13 3HD2 LEU 13 -4.311 -8.693 -8.572 102 H VAL 14 H VAL 14 -5.725 -6.227 -14.426 103 HA VAL 14 HA VAL 14 -8.226 -5.122 -13.935 104 HB VAL 14 HB VAL 14 -7.088 -5.902 -16.635 105 1HG1 VAL 14 1HG1 VAL 14 -9.263 -3.959 -15.861 106 2HG1 VAL 14 2HG1 VAL 14 -8.527 -4.036 -17.462 107 3HG1 VAL 14 3HG1 VAL 14 -9.433 -5.415 -16.843 108 1HG2 VAL 14 1HG2 VAL 14 -5.615 -4.418 -15.202 109 2HG2 VAL 14 2HG2 VAL 14 -6.128 -3.741 -16.739 110 3HG2 VAL 14 3HG2 VAL 14 -6.904 -3.231 -15.246 111 H GLY 15 H GLY 15 -10.138 -6.094 -13.608 112 1HA GLY 15 1HA GLY 15 -11.927 -7.375 -14.578 113 2HA GLY 15 2HA GLY 15 -10.773 -8.559 -15.151 114 H LYS 16 H LYS 16 -9.502 -7.979 -12.270 115 HA LYS 16 HA LYS 16 -11.039 -10.124 -10.988 116 1HB LYS 16 1HB LYS 16 -8.320 -8.942 -10.502 117 2HB LYS 16 2HB LYS 16 -9.051 -10.058 -9.361 118 1HG LYS 16 1HG LYS 16 -9.020 -10.964 -12.178 119 2HG LYS 16 2HG LYS 16 -7.435 -10.715 -11.463 120 1HD LYS 16 1HD LYS 16 -7.571 -12.636 -10.383 121 2HD LYS 16 2HD LYS 16 -9.016 -12.110 -9.530 122 1HE LYS 16 1HE LYS 16 -10.387 -13.300 -10.842 123 2HE LYS 16 2HE LYS 16 -9.490 -12.958 -12.316 124 1HZ LYS 16 1HZ LYS 16 -8.721 -14.956 -10.256 125 2HZ LYS 16 2HZ LYS 16 -9.398 -15.284 -11.771 126 3HZ LYS 16 3HZ LYS 16 -7.853 -14.605 -11.671 127 H SER 17 H SER 17 -11.542 -9.967 -8.701 128 HA SER 17 HA SER 17 -12.999 -7.668 -8.071 129 1HB SER 17 1HB SER 17 -13.207 -10.024 -7.049 130 2HB SER 17 2HB SER 17 -13.412 -8.642 -5.970 131 HG SER 17 HG SER 17 -12.021 -10.230 -5.082 132 H GLY 18 H GLY 18 -12.627 -5.892 -6.743 133 1HA GLY 18 1HA GLY 18 -10.157 -4.662 -6.702 134 2HA GLY 18 2HA GLY 18 -11.454 -4.342 -5.588 135 H ASN 19 H ASN 19 -11.468 -7.002 -4.417 136 HA ASN 19 HA ASN 19 -9.473 -6.564 -2.427 137 1HB ASN 19 1HB ASN 19 -11.865 -7.838 -2.432 138 2HB ASN 19 2HB ASN 19 -10.805 -9.238 -2.555 139 2HD2 ASN 19 2HD2 ASN 19 -11.465 -6.304 -0.685 140 1HD2 ASN 19 1HD2 ASN 19 -10.857 -6.924 0.809 141 H MET 20 H MET 20 -9.892 -8.987 -5.011 142 HA MET 20 HA MET 20 -7.570 -10.478 -4.397 143 1HB MET 20 1HB MET 20 -9.476 -11.122 -5.949 144 2HB MET 20 2HB MET 20 -8.737 -10.103 -7.171 145 1HG MET 20 1HG MET 20 -7.520 -11.839 -7.791 146 2HG MET 20 2HG MET 20 -6.643 -11.721 -6.268 147 1HE MET 20 1HE MET 20 -7.188 -13.042 -4.155 148 2HE MET 20 2HE MET 20 -8.898 -12.610 -4.094 149 3HE MET 20 3HE MET 20 -8.407 -14.304 -4.010 150 H ALA 21 H ALA 21 -8.147 -7.635 -6.411 151 HA ALA 21 HA ALA 21 -5.609 -7.474 -7.582 152 1HB ALA 21 1HB ALA 21 -7.764 -5.478 -7.048 153 2HB ALA 21 2HB ALA 21 -7.244 -6.148 -8.594 154 3HB ALA 21 3HB ALA 21 -6.235 -4.973 -7.753 155 H ALA 22 H ALA 22 -6.931 -5.570 -4.877 156 HA ALA 22 HA ALA 22 -4.603 -4.327 -4.095 157 1HB ALA 22 1HB ALA 22 -6.791 -5.301 -2.260 158 2HB ALA 22 2HB ALA 22 -6.827 -3.806 -3.190 159 3HB ALA 22 3HB ALA 22 -5.631 -4.007 -1.908 160 H ALA 23 H ALA 23 -5.835 -7.500 -3.129 161 HA ALA 23 HA ALA 23 -3.816 -8.123 -1.266 162 1HB ALA 23 1HB ALA 23 -5.906 -9.385 -1.461 163 2HB ALA 23 2HB ALA 23 -4.500 -10.444 -1.562 164 3HB ALA 23 3HB ALA 23 -5.389 -10.014 -3.027 165 H THR 24 H THR 24 -4.071 -8.759 -4.759 166 HA THR 24 HA THR 24 -1.718 -10.220 -5.081 167 HB THR 24 HB THR 24 -3.019 -8.298 -7.003 168 HG1 THR 24 HG1 THR 24 -3.747 -10.525 -7.812 169 1HG2 THR 24 1HG2 THR 24 -1.041 -10.500 -7.521 170 2HG2 THR 24 2HG2 THR 24 -2.022 -9.711 -8.759 171 3HG2 THR 24 3HG2 THR 24 -0.844 -8.775 -7.855 172 H VAL 25 H VAL 25 -2.245 -6.721 -5.138 173 HA VAL 25 HA VAL 25 0.414 -6.031 -5.842 174 HB VAL 25 HB VAL 25 -1.610 -4.376 -4.311 175 1HG1 VAL 25 1HG1 VAL 25 1.118 -3.846 -5.122 176 2HG1 VAL 25 2HG1 VAL 25 -0.003 -2.722 -5.884 177 3HG1 VAL 25 3HG1 VAL 25 0.023 -2.890 -4.140 178 1HG2 VAL 25 1HG2 VAL 25 -1.163 -4.779 -7.260 179 2HG2 VAL 25 2HG2 VAL 25 -2.638 -4.973 -6.337 180 3HG2 VAL 25 3HG2 VAL 25 -1.997 -3.370 -6.614 181 H GLU 26 H GLU 26 -1.232 -5.994 -2.667 182 HA GLU 26 HA GLU 26 1.086 -5.289 -1.206 183 1HB GLU 26 1HB GLU 26 -0.145 -5.781 0.750 184 2HB GLU 26 2HB GLU 26 -1.230 -6.878 -0.098 185 1HG GLU 26 1HG GLU 26 -1.232 -4.121 -1.141 186 2HG GLU 26 2HG GLU 26 -2.541 -5.253 -0.846 187 H ARG 27 H ARG 27 -0.049 -8.371 -2.417 188 HA ARG 27 HA ARG 27 1.733 -9.879 -0.699 189 1HB ARG 27 1HB ARG 27 -0.549 -10.500 -2.203 190 2HB ARG 27 2HB ARG 27 0.743 -11.333 -3.024 191 1HG ARG 27 1HG ARG 27 0.974 -12.849 -1.432 192 2HG ARG 27 2HG ARG 27 0.875 -11.670 -0.133 193 1HD ARG 27 1HD ARG 27 -0.979 -13.375 -0.180 194 2HD ARG 27 2HD ARG 27 -1.458 -11.683 -0.116 195 HE ARG 27 HE ARG 27 -2.518 -11.945 -2.097 196 1HH1 ARG 27 1HH1 ARG 27 -0.115 -14.505 -1.826 197 2HH1 ARG 27 2HH1 ARG 27 -0.583 -15.242 -3.304 198 1HH2 ARG 27 1HH2 ARG 27 -3.128 -12.971 -4.043 199 2HH2 ARG 27 2HH2 ARG 27 -2.291 -14.398 -4.559 200 H GLU 28 H GLU 28 1.509 -9.340 -4.227 201 HA GLU 28 HA GLU 28 4.013 -10.506 -4.823 202 1HB GLU 28 1HB GLU 28 2.227 -8.561 -6.263 203 2HB GLU 28 2HB GLU 28 3.821 -8.912 -6.903 204 1HG GLU 28 1HG GLU 28 2.987 -11.419 -6.607 205 2HG GLU 28 2HG GLU 28 1.411 -10.633 -6.722 206 H ASN 29 H ASN 29 3.053 -7.249 -3.883 207 HA ASN 29 HA ASN 29 5.908 -6.535 -3.645 208 1HB ASN 29 1HB ASN 29 4.872 -5.347 -5.529 209 2HB ASN 29 2HB ASN 29 3.624 -4.718 -4.461 210 2HD2 ASN 29 2HD2 ASN 29 5.501 -3.220 -6.062 211 1HD2 ASN 29 1HD2 ASN 29 6.426 -2.269 -4.955 212 H ARG 30 H ARG 30 5.572 -7.434 -1.511 213 HA ARG 30 HA ARG 30 3.826 -6.336 0.404 214 1HB ARG 30 1HB ARG 30 5.506 -7.298 2.083 215 2HB ARG 30 2HB ARG 30 4.744 -8.394 0.939 216 1HG ARG 30 1HG ARG 30 6.678 -8.593 -0.386 217 2HG ARG 30 2HG ARG 30 7.451 -7.226 0.422 218 1HD ARG 30 1HD ARG 30 7.771 -8.423 2.391 219 2HD ARG 30 2HD ARG 30 6.697 -9.733 1.917 220 HE ARG 30 HE ARG 30 9.456 -9.278 1.086 221 1HH1 ARG 30 1HH1 ARG 30 6.516 -11.165 0.626 222 2HH1 ARG 30 2HH1 ARG 30 7.346 -12.461 -0.138 223 1HH2 ARG 30 1HH2 ARG 30 10.513 -11.005 0.035 224 2HH2 ARG 30 2HH2 ARG 30 9.594 -12.369 -0.510 225 H ASN 31 H ASN 31 6.185 -4.629 -1.164 226 HA ASN 31 HA ASN 31 7.032 -3.113 1.177 227 1HB ASN 31 1HB ASN 31 8.717 -3.683 -0.506 228 2HB ASN 31 2HB ASN 31 7.793 -2.830 -1.734 229 2HD2 ASN 31 2HD2 ASN 31 9.467 -2.389 1.352 230 1HD2 ASN 31 1HD2 ASN 31 9.891 -0.739 1.067 231 H VAL 32 H VAL 32 4.416 -3.106 -0.904 232 HA VAL 32 HA VAL 32 3.849 -0.299 -0.249 233 HB VAL 32 HB VAL 32 3.187 0.260 -2.452 234 1HG1 VAL 32 1HG1 VAL 32 5.627 0.347 -2.038 235 2HG1 VAL 32 2HG1 VAL 32 5.772 -1.289 -2.671 236 3HG1 VAL 32 3HG1 VAL 32 5.263 0.007 -3.721 237 1HG2 VAL 32 1HG2 VAL 32 3.416 -2.675 -3.021 238 2HG2 VAL 32 2HG2 VAL 32 2.074 -1.581 -3.324 239 3HG2 VAL 32 3HG2 VAL 32 3.513 -1.496 -4.328 240 H HIS 33 H HIS 33 1.495 0.231 -0.655 241 HA HIS 33 HA HIS 33 -0.179 -2.185 -0.286 242 1HB HIS 33 1HB HIS 33 -1.216 -1.375 1.584 243 2HB HIS 33 2HB HIS 33 0.369 -0.683 1.811 244 HD1 HIS 33 HD1 HIS 33 -3.032 0.216 2.042 245 HD2 HIS 33 HD2 HIS 33 0.373 2.128 0.675 246 HE1 HIS 33 HE1 HIS 33 -3.586 2.668 2.050 247 HE2 HIS 33 HE2 HIS 33 -1.466 3.810 1.303 248 H ALA 34 H ALA 34 -2.220 -2.175 -1.132 249 HA ALA 34 HA ALA 34 -2.706 -0.054 -3.113 250 1HB ALA 34 1HB ALA 34 -3.667 -2.897 -3.080 251 2HB ALA 34 2HB ALA 34 -4.033 -1.709 -4.325 252 3HB ALA 34 3HB ALA 34 -2.373 -2.248 -4.082 253 H ILE 35 H ILE 35 -4.577 1.056 -3.139 254 HA ILE 35 HA ILE 35 -6.470 0.530 -0.937 255 HB ILE 35 HB ILE 35 -6.158 3.073 -2.539 256 1HG1 ILE 35 1HG1 ILE 35 -5.171 2.686 0.291 257 2HG1 ILE 35 2HG1 ILE 35 -4.138 2.309 -1.078 258 1HG2 ILE 35 1HG2 ILE 35 -7.623 2.429 0.023 259 2HG2 ILE 35 2HG2 ILE 35 -7.415 4.053 -0.635 260 3HG2 ILE 35 3HG2 ILE 35 -8.342 2.855 -1.533 261 1HD1 ILE 35 1HD1 ILE 35 -5.398 5.000 -0.661 262 2HD1 ILE 35 2HD1 ILE 35 -3.806 4.519 -0.112 263 3HD1 ILE 35 3HD1 ILE 35 -4.144 4.551 -1.836 264 H VAL 36 H VAL 36 -8.238 -0.539 -1.567 265 HA VAL 36 HA VAL 36 -9.076 -0.573 -4.313 266 HB VAL 36 HB VAL 36 -9.228 -2.542 -2.801 267 1HG1 VAL 36 1HG1 VAL 36 -10.138 -1.134 -0.852 268 2HG1 VAL 36 2HG1 VAL 36 -11.706 -1.282 -1.650 269 3HG1 VAL 36 3HG1 VAL 36 -10.837 -2.723 -1.127 270 1HG2 VAL 36 1HG2 VAL 36 -10.471 -2.425 -4.883 271 2HG2 VAL 36 2HG2 VAL 36 -11.392 -3.307 -3.671 272 3HG2 VAL 36 3HG2 VAL 36 -11.813 -1.639 -4.077 273 H LEU 37 H LEU 37 -10.312 0.862 -5.244 274 HA LEU 37 HA LEU 37 -12.509 2.135 -3.781 275 1HB LEU 37 1HB LEU 37 -11.730 4.298 -4.980 276 2HB LEU 37 2HB LEU 37 -10.991 3.837 -3.465 277 HG LEU 37 HG LEU 37 -9.173 2.703 -4.967 278 1HD1 LEU 37 1HD1 LEU 37 -10.705 4.345 -6.938 279 2HD1 LEU 37 2HD1 LEU 37 -8.959 4.146 -7.110 280 3HD1 LEU 37 3HD1 LEU 37 -10.006 2.753 -7.082 281 1HD2 LEU 37 1HD2 LEU 37 -9.516 5.593 -4.353 282 2HD2 LEU 37 2HD2 LEU 37 -8.352 4.417 -3.742 283 3HD2 LEU 37 3HD2 LEU 37 -8.170 5.082 -5.361 284 H LYS 38 H LYS 38 -14.105 3.031 -5.208 285 HA LYS 38 HA LYS 38 -14.181 1.603 -7.743 286 1HB LYS 38 1HB LYS 38 -16.543 2.354 -7.845 287 2HB LYS 38 2HB LYS 38 -16.136 1.379 -6.441 288 1HG LYS 38 1HG LYS 38 -15.752 4.123 -5.729 289 2HG LYS 38 2HG LYS 38 -17.287 3.984 -6.571 290 1HD LYS 38 1HD LYS 38 -16.591 2.011 -4.410 291 2HD LYS 38 2HD LYS 38 -17.169 3.629 -4.001 292 1HE LYS 38 1HE LYS 38 -18.709 2.101 -6.038 293 2HE LYS 38 2HE LYS 38 -18.833 1.600 -4.352 294 1HZ LYS 38 1HZ LYS 38 -19.486 3.864 -3.772 295 2HZ LYS 38 2HZ LYS 38 -19.394 4.326 -5.401 296 3HZ LYS 38 3HZ LYS 38 -20.536 3.181 -4.905 297 H GLU 39 H GLU 39 -14.831 2.598 -9.724 298 HA GLU 39 HA GLU 39 -13.292 4.753 -10.507 299 1HB GLU 39 1HB GLU 39 -14.851 2.979 -11.828 300 2HB GLU 39 2HB GLU 39 -15.880 4.399 -11.938 301 1HG GLU 39 1HG GLU 39 -14.043 5.652 -12.954 302 2HG GLU 39 2HG GLU 39 -13.030 4.207 -12.872 303 H GLY 40 H GLY 40 -13.328 6.757 -9.734 304 1HA GLY 40 1HA GLY 40 -14.561 8.870 -9.973 305 2HA GLY 40 2HA GLY 40 -15.976 8.059 -9.326 306 H SER 41 H SER 41 -13.466 6.783 -7.633 307 HA SER 41 HA SER 41 -14.120 8.201 -5.270 308 1HB SER 41 1HB SER 41 -13.398 5.913 -5.105 309 2HB SER 41 2HB SER 41 -11.882 6.279 -5.902 310 HG SER 41 HG SER 41 -11.634 6.152 -3.642 311 H ALA 42 H ALA 42 -11.960 8.842 -3.898 312 HA ALA 42 HA ALA 42 -10.919 11.181 -5.315 313 1HB ALA 42 1HB ALA 42 -10.172 11.917 -3.125 314 2HB ALA 42 2HB ALA 42 -10.650 10.370 -2.417 315 3HB ALA 42 3HB ALA 42 -11.873 11.450 -3.089 316 H MET 43 H MET 43 -9.279 10.579 -6.624 317 HA MET 43 HA MET 43 -7.025 9.122 -5.394 318 1HB MET 43 1HB MET 43 -6.640 8.283 -7.827 319 2HB MET 43 2HB MET 43 -7.834 7.515 -6.787 320 1HG MET 43 1HG MET 43 -9.524 9.128 -7.928 321 2HG MET 43 2HG MET 43 -8.264 9.313 -9.134 322 1HE MET 43 1HE MET 43 -10.449 6.768 -7.165 323 2HE MET 43 2HE MET 43 -11.419 7.564 -8.400 324 3HE MET 43 3HE MET 43 -11.098 5.834 -8.513 325 H THR 44 H THR 44 -5.605 10.680 -5.066 326 HA THR 44 HA THR 44 -5.297 12.954 -6.726 327 HB THR 44 HB THR 44 -3.337 13.445 -5.453 328 HG1 THR 44 HG1 THR 44 -2.161 11.608 -5.420 329 1HG2 THR 44 1HG2 THR 44 -5.526 13.502 -4.191 330 2HG2 THR 44 2HG2 THR 44 -5.046 11.946 -3.504 331 3HG2 THR 44 3HG2 THR 44 -4.055 13.373 -3.226 332 H LYS 45 H LYS 45 -3.588 13.432 -8.187 333 HA LYS 45 HA LYS 45 -2.909 11.172 -9.865 334 1HB LYS 45 1HB LYS 45 -2.713 14.150 -10.065 335 2HB LYS 45 2HB LYS 45 -1.681 13.184 -11.102 336 1HG LYS 45 1HG LYS 45 -3.351 13.115 -12.533 337 2HG LYS 45 2HG LYS 45 -4.119 11.965 -11.449 338 1HD LYS 45 1HD LYS 45 -4.962 14.189 -10.233 339 2HD LYS 45 2HD LYS 45 -5.798 13.462 -11.605 340 1HE LYS 45 1HE LYS 45 -3.760 15.666 -11.865 341 2HE LYS 45 2HE LYS 45 -4.753 14.968 -13.146 342 1HZ LYS 45 1HZ LYS 45 -6.731 15.780 -11.964 343 2HZ LYS 45 2HZ LYS 45 -5.733 16.514 -10.809 344 3HZ LYS 45 3HZ LYS 45 -5.697 17.043 -12.419 345 H ASP 46 H ASP 46 -1.337 13.092 -7.441 346 HA ASP 46 HA ASP 46 1.305 12.978 -8.058 347 1HB ASP 46 1HB ASP 46 -0.147 12.603 -5.445 348 2HB ASP 46 2HB ASP 46 1.617 12.544 -5.486 349 H PHE 47 H PHE 47 3.012 11.513 -7.791 350 HA PHE 47 HA PHE 47 2.177 8.718 -8.049 351 1HB PHE 47 1HB PHE 47 3.660 9.567 -9.744 352 2HB PHE 47 2HB PHE 47 4.834 10.064 -8.531 353 HD1 PHE 47 HD1 PHE 47 3.348 7.218 -10.295 354 HD2 PHE 47 HD2 PHE 47 6.238 8.444 -7.415 355 HE1 PHE 47 HE1 PHE 47 4.385 5.002 -10.395 356 HE2 PHE 47 HE2 PHE 47 7.276 6.220 -7.507 357 HZ PHE 47 HZ PHE 47 6.353 4.494 -8.995 358 H ARG 48 H ARG 48 2.610 7.152 -6.616 359 HA ARG 48 HA ARG 48 4.546 7.576 -4.461 360 1HB ARG 48 1HB ARG 48 1.694 6.821 -3.836 361 2HB ARG 48 2HB ARG 48 3.006 7.081 -2.697 362 1HG ARG 48 1HG ARG 48 2.956 9.487 -3.884 363 2HG ARG 48 2HG ARG 48 1.272 9.019 -4.120 364 1HD ARG 48 1HD ARG 48 2.815 9.240 -1.541 365 2HD ARG 48 2HD ARG 48 1.491 10.260 -2.103 366 HE ARG 48 HE ARG 48 0.763 7.487 -1.849 367 1HH1 ARG 48 1HH1 ARG 48 1.125 10.499 -0.084 368 2HH1 ARG 48 2HH1 ARG 48 -0.005 10.038 1.130 369 1HH2 ARG 48 1HH2 ARG 48 -0.710 6.899 -0.215 370 2HH2 ARG 48 2HH2 ARG 48 -1.048 8.013 1.061 371 H CYS 49 H CYS 49 5.783 5.834 -4.649 372 HA CYS 49 HA CYS 49 5.067 3.438 -5.870 373 1HB CYS 49 1HB CYS 49 7.375 4.500 -4.500 374 2HB CYS 49 2HB CYS 49 7.155 2.814 -4.080 375 H ASP 50 H ASP 50 4.916 4.383 -2.505 376 HA ASP 50 HA ASP 50 4.248 1.747 -1.585 377 1HB ASP 50 1HB ASP 50 5.449 3.301 -0.167 378 2HB ASP 50 2HB ASP 50 3.942 2.789 0.585 379 H ARG 51 H ARG 51 2.441 3.891 -3.350 380 HA ARG 51 HA ARG 51 -0.045 2.918 -2.119 381 1HB ARG 51 1HB ARG 51 0.430 5.317 -1.669 382 2HB ARG 51 2HB ARG 51 0.339 5.630 -3.397 383 1HG ARG 51 1HG ARG 51 -2.005 4.580 -3.244 384 2HG ARG 51 2HG ARG 51 -1.839 4.799 -1.499 385 1HD ARG 51 1HD ARG 51 -1.253 7.212 -2.072 386 2HD ARG 51 2HD ARG 51 -2.925 6.752 -2.247 387 HE ARG 51 HE ARG 51 -1.975 6.335 -4.732 388 1HH1 ARG 51 1HH1 ARG 51 -1.711 9.083 -2.546 389 2HH1 ARG 51 2HH1 ARG 51 -1.567 10.215 -3.831 390 1HH2 ARG 51 1HH2 ARG 51 -1.835 7.885 -6.401 391 2HH2 ARG 51 2HH2 ARG 51 -1.614 9.550 -6.007 392 H VAL 52 H VAL 52 -1.265 1.782 -3.429 393 HA VAL 52 HA VAL 52 -1.006 2.204 -6.353 394 HB VAL 52 HB VAL 52 -1.559 -0.421 -4.955 395 1HG1 VAL 52 1HG1 VAL 52 -1.370 0.382 -7.838 396 2HG1 VAL 52 2HG1 VAL 52 -1.082 -1.283 -7.334 397 3HG1 VAL 52 3HG1 VAL 52 -2.634 -0.513 -7.019 398 1HG2 VAL 52 1HG2 VAL 52 0.936 0.895 -5.440 399 2HG2 VAL 52 2HG2 VAL 52 0.620 -0.680 -4.743 400 3HG2 VAL 52 3HG2 VAL 52 0.829 -0.517 -6.479 401 H TRP 53 H TRP 53 -2.846 3.020 -7.175 402 HA TRP 53 HA TRP 53 -5.308 2.919 -5.674 403 1HB TRP 53 1HB TRP 53 -4.636 4.000 -8.415 404 2HB TRP 53 2HB TRP 53 -6.269 4.035 -7.776 405 HD1 TRP 53 HD1 TRP 53 -4.103 6.527 -8.521 406 HE1 TRP 53 HE1 TRP 53 -4.023 8.452 -6.813 407 HE3 TRP 53 HE3 TRP 53 -6.095 4.113 -4.504 408 HZ2 TRP 53 HZ2 TRP 53 -4.677 8.864 -4.090 409 HZ3 TRP 53 HZ3 TRP 53 -6.348 5.327 -2.407 410 HH2 TRP 53 HH2 TRP 53 -5.635 7.650 -2.183 411 H VAL 54 H VAL 54 -7.001 1.552 -5.936 412 HA VAL 54 HA VAL 54 -6.862 -0.350 -8.207 413 HB VAL 54 HB VAL 54 -7.589 -0.802 -5.325 414 1HG1 VAL 54 1HG1 VAL 54 -8.333 -2.461 -7.719 415 2HG1 VAL 54 2HG1 VAL 54 -8.201 -3.154 -6.104 416 3HG1 VAL 54 3HG1 VAL 54 -9.370 -1.891 -6.424 417 1HG2 VAL 54 1HG2 VAL 54 -5.227 -1.020 -6.070 418 2HG2 VAL 54 2HG2 VAL 54 -5.929 -2.480 -5.368 419 3HG2 VAL 54 3HG2 VAL 54 -5.742 -2.346 -7.115 420 H ILE 55 H ILE 55 -8.202 0.860 -9.506 421 HA ILE 55 HA ILE 55 -10.745 1.804 -8.560 422 HB ILE 55 HB ILE 55 -9.778 1.695 -11.382 423 1HG1 ILE 55 1HG1 ILE 55 -8.973 3.396 -9.128 424 2HG1 ILE 55 2HG1 ILE 55 -9.558 4.321 -10.494 425 1HG2 ILE 55 1HG2 ILE 55 -11.983 3.193 -10.017 426 2HG2 ILE 55 2HG2 ILE 55 -11.366 3.639 -11.609 427 3HG2 ILE 55 3HG2 ILE 55 -12.104 2.058 -11.368 428 1HD1 ILE 55 1HD1 ILE 55 -7.457 2.216 -10.810 429 2HD1 ILE 55 2HD1 ILE 55 -7.915 3.525 -11.896 430 3HD1 ILE 55 3HD1 ILE 55 -7.085 3.879 -10.392 431 H VAL 56 H VAL 56 -12.558 0.716 -8.476 432 HA VAL 56 HA VAL 56 -12.935 -1.586 -10.253 433 HB VAL 56 HB VAL 56 -14.190 -2.699 -8.479 434 1HG1 VAL 56 1HG1 VAL 56 -11.375 -2.136 -8.387 435 2HG1 VAL 56 2HG1 VAL 56 -11.961 -2.585 -6.766 436 3HG1 VAL 56 3HG1 VAL 56 -12.223 -3.650 -8.135 437 1HG2 VAL 56 1HG2 VAL 56 -13.377 -0.376 -6.758 438 2HG2 VAL 56 2HG2 VAL 56 -15.010 -0.754 -7.276 439 3HG2 VAL 56 3HG2 VAL 56 -14.163 -1.832 -6.178 440 H ASN 57 H ASN 57 -15.261 -2.191 -10.499 441 HA ASN 57 HA ASN 57 -16.777 0.236 -11.085 442 1HB ASN 57 1HB ASN 57 -18.306 -1.248 -12.280 443 2HB ASN 57 2HB ASN 57 -16.646 -1.530 -12.775 444 2HD2 ASN 57 2HD2 ASN 57 -17.503 -3.567 -13.572 445 1HD2 ASN 57 1HD2 ASN 57 -17.696 -4.879 -12.467 446 H ASP 58 H ASP 58 -19.362 -0.426 -10.806 447 HA ASP 58 HA ASP 58 -19.847 0.007 -8.077 448 1HB ASP 58 1HB ASP 58 -21.549 -0.646 -10.459 449 2HB ASP 58 2HB ASP 58 -22.285 -0.763 -8.867 450 H HIS 59 H HIS 59 -19.368 -2.944 -9.809 451 HA HIS 59 HA HIS 59 -20.640 -4.554 -7.749 452 1HB HIS 59 1HB HIS 59 -20.463 -4.908 -10.410 453 2HB HIS 59 2HB HIS 59 -19.066 -5.852 -9.930 454 HD1 HIS 59 HD1 HIS 59 -19.534 -8.128 -8.922 455 HD2 HIS 59 HD2 HIS 59 -22.958 -5.813 -9.354 456 HE1 HIS 59 HE1 HIS 59 -21.454 -9.667 -8.405 457 HE2 HIS 59 HE2 HIS 59 -23.520 -8.268 -8.773 458 H GLY 60 H GLY 60 -17.597 -3.153 -8.201 459 1HA GLY 60 1HA GLY 60 -15.852 -3.322 -6.687 460 2HA GLY 60 2HA GLY 60 -16.474 -4.860 -6.111 461 H VAL 61 H VAL 61 -16.112 -4.203 -9.530 462 HA VAL 61 HA VAL 61 -13.994 -6.243 -9.672 463 HB VAL 61 HB VAL 61 -15.647 -5.101 -11.922 464 1HG1 VAL 61 1HG1 VAL 61 -13.919 -7.548 -11.740 465 2HG1 VAL 61 2HG1 VAL 61 -14.924 -7.115 -13.123 466 3HG1 VAL 61 3HG1 VAL 61 -13.571 -6.087 -12.663 467 1HG2 VAL 61 1HG2 VAL 61 -16.095 -7.629 -10.333 468 2HG2 VAL 61 2HG2 VAL 61 -17.123 -6.193 -10.328 469 3HG2 VAL 61 3HG2 VAL 61 -16.974 -7.155 -11.793 470 H VAL 62 H VAL 62 -11.966 -5.725 -10.418 471 HA VAL 62 HA VAL 62 -11.254 -2.971 -10.517 472 HB VAL 62 HB VAL 62 -9.569 -5.352 -11.322 473 1HG1 VAL 62 1HG1 VAL 62 -8.697 -3.190 -12.101 474 2HG1 VAL 62 2HG1 VAL 62 -8.759 -2.574 -10.451 475 3HG1 VAL 62 3HG1 VAL 62 -7.691 -3.910 -10.866 476 1HG2 VAL 62 1HG2 VAL 62 -10.656 -4.993 -8.832 477 2HG2 VAL 62 2HG2 VAL 62 -9.143 -5.788 -9.210 478 3HG2 VAL 62 3HG2 VAL 62 -9.137 -4.127 -8.677 479 H THR 63 H THR 63 -11.615 -1.675 -12.195 480 HA THR 63 HA THR 63 -11.716 -2.802 -14.921 481 HB THR 63 HB THR 63 -12.814 -0.755 -15.562 482 HG1 THR 63 HG1 THR 63 -11.978 0.851 -14.396 483 1HG2 THR 63 1HG2 THR 63 -14.273 -2.422 -14.545 484 2HG2 THR 63 2HG2 THR 63 -13.999 -1.701 -12.958 485 3HG2 THR 63 3HG2 THR 63 -14.818 -0.779 -14.217 486 H SER 64 H SER 64 -9.925 -0.564 -12.891 487 HA SER 64 HA SER 64 -8.274 0.243 -15.192 488 1HB SER 64 1HB SER 64 -9.281 1.841 -13.334 489 2HB SER 64 2HB SER 64 -7.844 1.326 -12.464 490 HG SER 64 HG SER 64 -7.858 3.249 -14.082 491 H VAL 65 H VAL 65 -6.013 0.166 -15.075 492 HA VAL 65 HA VAL 65 -4.972 -2.297 -14.130 493 HB VAL 65 HB VAL 65 -3.410 0.102 -15.077 494 1HG1 VAL 65 1HG1 VAL 65 -2.666 -2.607 -14.267 495 2HG1 VAL 65 2HG1 VAL 65 -2.091 -2.181 -15.885 496 3HG1 VAL 65 3HG1 VAL 65 -1.692 -1.166 -14.509 497 1HG2 VAL 65 1HG2 VAL 65 -4.646 -2.149 -16.651 498 2HG2 VAL 65 2HG2 VAL 65 -5.056 -0.439 -16.750 499 3HG2 VAL 65 3HG2 VAL 65 -3.478 -0.997 -17.288 500 1HB PRO 66 1HB PRO 66 -4.585 -2.304 -8.648 501 2HB PRO 66 2HB PRO 66 -3.301 -3.299 -9.299 502 1HG PRO 66 1HG PRO 66 -5.054 -4.450 -10.179 503 2HG PRO 66 2HG PRO 66 -6.119 -3.073 -10.090 504 1HD PRO 66 1HD PRO 66 -4.189 -3.773 -12.229 505 2HD PRO 66 2HD PRO 66 -5.787 -3.075 -12.357 506 H HIS 67 H HIS 67 -2.336 0.589 -10.809 507 HA HIS 67 HA HIS 67 0.242 -0.800 -10.524 508 1HB HIS 67 1HB HIS 67 1.169 0.551 -12.293 509 2HB HIS 67 2HB HIS 67 -0.298 -0.221 -12.882 510 HD1 HIS 67 HD1 HIS 67 1.054 2.483 -13.958 511 HD2 HIS 67 HD2 HIS 67 -2.343 2.179 -11.588 512 HE1 HIS 67 HE1 HIS 67 -0.263 4.580 -14.379 513 HE2 HIS 67 HE2 HIS 67 -2.264 4.409 -12.859 514 H ILE 68 H ILE 68 1.875 0.252 -9.512 515 HA ILE 68 HA ILE 68 1.425 1.785 -7.345 516 HB ILE 68 HB ILE 68 3.739 1.167 -9.005 517 1HG1 ILE 68 1HG1 ILE 68 4.252 1.642 -6.209 518 2HG1 ILE 68 2HG1 ILE 68 2.838 0.654 -6.383 519 1HG2 ILE 68 1HG2 ILE 68 3.755 3.811 -7.564 520 2HG2 ILE 68 2HG2 ILE 68 5.220 2.899 -7.912 521 3HG2 ILE 68 3HG2 ILE 68 4.199 3.401 -9.222 522 1HD1 ILE 68 1HD1 ILE 68 5.507 0.070 -7.631 523 2HD1 ILE 68 2HD1 ILE 68 4.941 -0.580 -6.099 524 3HD1 ILE 68 3HD1 ILE 68 4.085 -0.971 -7.580 525 H THR 69 H THR 69 0.429 3.651 -7.075 526 HA THR 69 HA THR 69 1.259 6.023 -8.495 527 HB THR 69 HB THR 69 -1.450 4.789 -9.000 528 HG1 THR 69 HG1 THR 69 0.602 5.767 -10.722 529 1HG2 THR 69 1HG2 THR 69 -0.613 7.642 -9.396 530 2HG2 THR 69 2HG2 THR 69 -1.952 6.907 -10.275 531 3HG2 THR 69 3HG2 THR 69 -2.009 7.034 -8.527 No H/Q in entry = 531 Start of MODEL 19 1 H SER 1 H SER 1 12.094 10.746 -10.517 2 HA SER 1 HA SER 1 11.750 9.036 -8.102 3 1HB SER 1 1HB SER 1 9.447 9.894 -8.097 4 2HB SER 1 2HB SER 1 10.634 11.186 -8.248 5 HG SER 1 HG SER 1 8.777 11.299 -9.709 6 H ARG 2 H ARG 2 12.480 7.018 -9.281 7 HA ARG 2 HA ARG 2 10.255 5.288 -9.341 8 1HB ARG 2 1HB ARG 2 10.756 4.179 -11.504 9 2HB ARG 2 2HB ARG 2 10.095 5.787 -11.669 10 1HG ARG 2 1HG ARG 2 11.989 6.686 -12.515 11 2HG ARG 2 2HG ARG 2 13.069 5.560 -11.705 12 1HD ARG 2 1HD ARG 2 11.283 4.981 -14.058 13 2HD ARG 2 2HD ARG 2 13.025 5.166 -14.106 14 HE ARG 2 HE ARG 2 11.494 2.919 -12.975 15 1HH1 ARG 2 1HH1 ARG 2 14.630 4.277 -13.836 16 2HH1 ARG 2 2HH1 ARG 2 15.433 2.765 -13.689 17 1HH2 ARG 2 1HH2 ARG 2 12.606 0.941 -12.775 18 2HH2 ARG 2 2HH2 ARG 2 14.303 0.875 -13.115 19 H ARG 3 H ARG 3 11.418 4.590 -7.497 20 HA ARG 3 HA ARG 3 13.353 2.502 -8.103 21 1HB ARG 3 1HB ARG 3 14.698 4.591 -7.799 22 2HB ARG 3 2HB ARG 3 14.076 4.715 -6.164 23 1HG ARG 3 1HG ARG 3 15.656 3.372 -5.418 24 2HG ARG 3 2HG ARG 3 15.115 2.075 -6.483 25 1HD ARG 3 1HD ARG 3 16.647 2.559 -8.097 26 2HD ARG 3 2HD ARG 3 16.792 4.260 -7.650 27 HE ARG 3 HE ARG 3 17.784 2.577 -5.582 28 1HH1 ARG 3 1HH1 ARG 3 18.591 3.825 -8.765 29 2HH1 ARG 3 2HH1 ARG 3 20.289 3.683 -8.508 30 1HH2 ARG 3 1HH2 ARG 3 20.031 2.435 -5.254 31 2HH2 ARG 3 2HH2 ARG 3 21.115 2.920 -6.516 32 H CYS 4 H CYS 4 11.411 1.355 -7.384 33 HA CYS 4 HA CYS 4 11.430 1.085 -4.463 34 1HB CYS 4 1HB CYS 4 8.892 0.772 -4.593 35 2HB CYS 4 2HB CYS 4 9.528 2.405 -4.737 36 1HB PRO 5 1HB PRO 5 10.828 -4.268 -3.086 37 2HB PRO 5 2HB PRO 5 12.420 -3.541 -3.311 38 1HG PRO 5 1HG PRO 5 9.989 -2.376 -2.111 39 2HG PRO 5 2HG PRO 5 11.648 -2.246 -1.541 40 1HD PRO 5 1HD PRO 5 10.385 -0.262 -2.906 41 2HD PRO 5 2HD PRO 5 12.132 -0.554 -3.024 42 H GLY 6 H GLY 6 10.344 -5.074 -5.813 43 1HA GLY 6 1HA GLY 6 8.362 -6.209 -6.153 44 2HA GLY 6 2HA GLY 6 7.506 -4.942 -5.312 45 H LYS 7 H LYS 7 6.226 -5.894 -7.383 46 HA LYS 7 HA LYS 7 6.883 -4.709 -9.894 47 1HB LYS 7 1HB LYS 7 5.551 -6.754 -9.630 48 2HB LYS 7 2HB LYS 7 4.262 -5.822 -8.933 49 1HG LYS 7 1HG LYS 7 3.805 -4.710 -10.913 50 2HG LYS 7 2HG LYS 7 5.316 -5.212 -11.666 51 1HD LYS 7 1HD LYS 7 3.226 -7.216 -10.801 52 2HD LYS 7 2HD LYS 7 3.103 -6.370 -12.335 53 1HE LYS 7 1HE LYS 7 5.776 -7.416 -11.998 54 2HE LYS 7 2HE LYS 7 4.566 -8.678 -11.785 55 1HZ LYS 7 1HZ LYS 7 4.724 -6.858 -14.129 56 2HZ LYS 7 2HZ LYS 7 5.267 -8.463 -14.086 57 3HZ LYS 7 3HZ LYS 7 3.616 -8.133 -13.910 58 H ASN 8 H ASN 8 5.715 -3.033 -11.028 59 HA ASN 8 HA ASN 8 4.698 -0.948 -9.190 60 1HB ASN 8 1HB ASN 8 6.866 -0.771 -10.772 61 2HB ASN 8 2HB ASN 8 5.652 -0.223 -11.920 62 2HD2 ASN 8 2HD2 ASN 8 7.424 0.506 -9.060 63 1HD2 ASN 8 1HD2 ASN 8 6.890 2.143 -8.946 64 H ALA 9 H ALA 9 3.584 -3.053 -11.547 65 HA ALA 9 HA ALA 9 1.078 -1.692 -11.719 66 1HB ALA 9 1HB ALA 9 2.678 -2.122 -14.231 67 2HB ALA 9 2HB ALA 9 1.003 -1.564 -14.161 68 3HB ALA 9 3HB ALA 9 2.297 -0.561 -13.502 69 H TRP 10 H TRP 10 -0.503 -3.211 -11.663 70 HA TRP 10 HA TRP 10 0.237 -5.956 -12.515 71 1HB TRP 10 1HB TRP 10 -1.685 -5.030 -10.399 72 2HB TRP 10 2HB TRP 10 -1.554 -6.688 -10.966 73 HD1 TRP 10 HD1 TRP 10 0.282 -8.166 -9.908 74 HE1 TRP 10 HE1 TRP 10 2.117 -7.770 -8.156 75 HE3 TRP 10 HE3 TRP 10 0.005 -3.085 -9.547 76 HZ2 TRP 10 HZ2 TRP 10 3.280 -5.594 -6.798 77 HZ3 TRP 10 HZ3 TRP 10 1.501 -1.912 -7.997 78 HH2 TRP 10 HH2 TRP 10 3.110 -3.151 -6.643 79 1HB PRO 11 1HB PRO 11 -1.913 -5.929 -17.583 80 2HB PRO 11 2HB PRO 11 -1.547 -4.235 -17.259 81 1HG PRO 11 1HG PRO 11 0.581 -5.120 -17.087 82 2HG PRO 11 2HG PRO 11 -0.014 -6.677 -16.483 83 1HD PRO 11 1HD PRO 11 0.707 -5.770 -14.513 84 2HD PRO 11 2HD PRO 11 0.375 -4.098 -15.016 85 H GLU 12 H GLU 12 -1.613 -7.586 -14.828 86 HA GLU 12 HA GLU 12 -3.684 -9.153 -15.922 87 1HB GLU 12 1HB GLU 12 -1.505 -10.070 -15.354 88 2HB GLU 12 2HB GLU 12 -2.791 -10.965 -14.557 89 1HG GLU 12 1HG GLU 12 -2.134 -9.050 -12.679 90 2HG GLU 12 2HG GLU 12 -1.621 -10.731 -12.695 91 H LEU 13 H LEU 13 -3.705 -7.110 -13.181 92 HA LEU 13 HA LEU 13 -5.667 -8.602 -11.710 93 1HB LEU 13 1HB LEU 13 -4.457 -5.890 -11.432 94 2HB LEU 13 2HB LEU 13 -5.801 -6.355 -10.422 95 HG LEU 13 HG LEU 13 -3.053 -7.586 -10.495 96 1HD1 LEU 13 1HD1 LEU 13 -4.581 -6.072 -8.405 97 2HD1 LEU 13 2HD1 LEU 13 -3.096 -6.926 -8.079 98 3HD1 LEU 13 3HD1 LEU 13 -3.106 -5.589 -9.187 99 1HD2 LEU 13 1HD2 LEU 13 -5.587 -8.665 -9.586 100 2HD2 LEU 13 2HD2 LEU 13 -4.127 -9.501 -10.055 101 3HD2 LEU 13 3HD2 LEU 13 -4.295 -8.818 -8.456 102 H VAL 14 H VAL 14 -5.643 -6.302 -14.246 103 HA VAL 14 HA VAL 14 -8.137 -5.083 -13.876 104 HB VAL 14 HB VAL 14 -6.856 -5.745 -16.537 105 1HG1 VAL 14 1HG1 VAL 14 -8.927 -3.727 -15.647 106 2HG1 VAL 14 2HG1 VAL 14 -7.995 -3.556 -17.171 107 3HG1 VAL 14 3HG1 VAL 14 -9.040 -4.986 -16.925 108 1HG2 VAL 14 1HG2 VAL 14 -5.294 -4.570 -14.896 109 2HG2 VAL 14 2HG2 VAL 14 -5.641 -3.732 -16.406 110 3HG2 VAL 14 3HG2 VAL 14 -6.459 -3.240 -14.927 111 H GLY 15 H GLY 15 -10.043 -6.122 -13.681 112 1HA GLY 15 1HA GLY 15 -11.773 -7.259 -14.931 113 2HA GLY 15 2HA GLY 15 -10.586 -8.422 -15.488 114 H LYS 16 H LYS 16 -9.647 -7.964 -12.404 115 HA LYS 16 HA LYS 16 -11.371 -10.161 -11.438 116 1HB LYS 16 1HB LYS 16 -8.917 -10.577 -11.603 117 2HB LYS 16 2HB LYS 16 -9.616 -10.823 -10.012 118 1HG LYS 16 1HG LYS 16 -7.536 -9.008 -10.897 119 2HG LYS 16 2HG LYS 16 -8.743 -8.168 -9.943 120 1HD LYS 16 1HD LYS 16 -7.122 -8.945 -8.458 121 2HD LYS 16 2HD LYS 16 -8.484 -9.999 -8.236 122 1HE LYS 16 1HE LYS 16 -6.607 -10.951 -10.277 123 2HE LYS 16 2HE LYS 16 -5.860 -10.749 -8.697 124 1HZ LYS 16 1HZ LYS 16 -8.418 -12.091 -8.614 125 2HZ LYS 16 2HZ LYS 16 -7.213 -12.915 -9.462 126 3HZ LYS 16 3HZ LYS 16 -6.951 -12.469 -7.864 127 H SER 17 H SER 17 -11.384 -10.143 -8.895 128 HA SER 17 HA SER 17 -12.969 -7.911 -8.149 129 1HB SER 17 1HB SER 17 -13.335 -9.021 -6.147 130 2HB SER 17 2HB SER 17 -12.914 -10.362 -7.212 131 HG SER 17 HG SER 17 -11.730 -10.536 -5.324 132 H GLY 18 H GLY 18 -12.569 -6.182 -6.770 133 1HA GLY 18 1HA GLY 18 -10.009 -5.043 -6.830 134 2HA GLY 18 2HA GLY 18 -11.320 -4.506 -5.814 135 H ASN 19 H ASN 19 -11.465 -7.210 -4.518 136 HA ASN 19 HA ASN 19 -9.603 -6.657 -2.424 137 1HB ASN 19 1HB ASN 19 -11.939 -7.777 -2.274 138 2HB ASN 19 2HB ASN 19 -11.110 -9.261 -2.722 139 2HD2 ASN 19 2HD2 ASN 19 -12.161 -7.488 -0.154 140 1HD2 ASN 19 1HD2 ASN 19 -11.088 -8.104 1.048 141 H MET 20 H MET 20 -9.944 -9.368 -4.717 142 HA MET 20 HA MET 20 -7.562 -10.665 -3.946 143 1HB MET 20 1HB MET 20 -9.594 -11.030 -5.951 144 2HB MET 20 2HB MET 20 -8.048 -11.147 -6.709 145 1HG MET 20 1HG MET 20 -8.936 -12.746 -4.350 146 2HG MET 20 2HG MET 20 -8.879 -13.308 -6.015 147 1HE MET 20 1HE MET 20 -7.200 -12.471 -2.851 148 2HE MET 20 2HE MET 20 -6.955 -14.210 -2.967 149 3HE MET 20 3HE MET 20 -5.569 -13.121 -2.988 150 H ALA 21 H ALA 21 -8.225 -7.993 -6.092 151 HA ALA 21 HA ALA 21 -5.750 -7.940 -7.437 152 1HB ALA 21 1HB ALA 21 -7.872 -5.910 -6.928 153 2HB ALA 21 2HB ALA 21 -7.476 -6.720 -8.436 154 3HB ALA 21 3HB ALA 21 -6.407 -5.469 -7.807 155 H ALA 22 H ALA 22 -6.925 -5.839 -4.816 156 HA ALA 22 HA ALA 22 -4.526 -4.604 -4.230 157 1HB ALA 22 1HB ALA 22 -6.722 -5.378 -2.307 158 2HB ALA 22 2HB ALA 22 -6.614 -3.885 -3.238 159 3HB ALA 22 3HB ALA 22 -5.438 -4.214 -1.967 160 H ALA 23 H ALA 23 -5.744 -7.741 -3.189 161 HA ALA 23 HA ALA 23 -3.750 -8.351 -1.298 162 1HB ALA 23 1HB ALA 23 -4.445 -10.666 -1.584 163 2HB ALA 23 2HB ALA 23 -5.308 -10.246 -3.061 164 3HB ALA 23 3HB ALA 23 -5.849 -9.600 -1.512 165 H THR 24 H THR 24 -3.972 -8.976 -4.788 166 HA THR 24 HA THR 24 -1.600 -10.440 -5.067 167 HB THR 24 HB THR 24 -2.717 -8.528 -7.116 168 HG1 THR 24 HG1 THR 24 -4.452 -9.734 -6.674 169 1HG2 THR 24 1HG2 THR 24 -1.260 -11.136 -7.425 170 2HG2 THR 24 2HG2 THR 24 -1.943 -10.174 -8.739 171 3HG2 THR 24 3HG2 THR 24 -0.617 -9.528 -7.777 172 H VAL 25 H VAL 25 -2.202 -6.950 -5.201 173 HA VAL 25 HA VAL 25 0.440 -6.200 -5.872 174 HB VAL 25 HB VAL 25 -1.572 -4.560 -4.312 175 1HG1 VAL 25 1HG1 VAL 25 1.118 -4.031 -5.150 176 2HG1 VAL 25 2HG1 VAL 25 0.001 -2.980 -6.033 177 3HG1 VAL 25 3HG1 VAL 25 -0.006 -3.005 -4.289 178 1HG2 VAL 25 1HG2 VAL 25 -1.244 -4.999 -7.271 179 2HG2 VAL 25 2HG2 VAL 25 -2.677 -5.226 -6.287 180 3HG2 VAL 25 3HG2 VAL 25 -2.089 -3.606 -6.601 181 H GLU 26 H GLU 26 -1.218 -5.973 -2.701 182 HA GLU 26 HA GLU 26 1.088 -5.348 -1.238 183 1HB GLU 26 1HB GLU 26 -1.486 -6.692 -0.428 184 2HB GLU 26 2HB GLU 26 -0.254 -6.222 0.738 185 1HG GLU 26 1HG GLU 26 -0.749 -4.050 0.628 186 2HG GLU 26 2HG GLU 26 -1.080 -4.072 -1.103 187 H ARG 27 H ARG 27 -0.011 -8.398 -2.503 188 HA ARG 27 HA ARG 27 1.608 -9.998 -0.726 189 1HB ARG 27 1HB ARG 27 -0.518 -10.788 -1.738 190 2HB ARG 27 2HB ARG 27 0.248 -10.792 -3.315 191 1HG ARG 27 1HG ARG 27 0.818 -12.891 -2.907 192 2HG ARG 27 2HG ARG 27 1.981 -12.293 -1.729 193 1HD ARG 27 1HD ARG 27 0.631 -13.950 -0.674 194 2HD ARG 27 2HD ARG 27 0.200 -12.374 -0.007 195 HE ARG 27 HE ARG 27 -1.462 -13.235 -2.218 196 1HH1 ARG 27 1HH1 ARG 27 -1.026 -13.343 1.269 197 2HH1 ARG 27 2HH1 ARG 27 -2.693 -13.647 1.572 198 1HH2 ARG 27 1HH2 ARG 27 -3.663 -13.647 -1.783 199 2HH2 ARG 27 2HH2 ARG 27 -4.170 -13.903 -0.147 200 H GLU 28 H GLU 28 1.666 -9.472 -4.270 201 HA GLU 28 HA GLU 28 4.235 -10.595 -4.629 202 1HB GLU 28 1HB GLU 28 2.466 -8.818 -6.282 203 2HB GLU 28 2HB GLU 28 4.120 -9.102 -6.799 204 1HG GLU 28 1HG GLU 28 3.606 -11.578 -6.645 205 2HG GLU 28 2HG GLU 28 1.915 -11.111 -6.462 206 H ASN 29 H ASN 29 3.146 -7.366 -3.803 207 HA ASN 29 HA ASN 29 5.969 -6.537 -3.536 208 1HB ASN 29 1HB ASN 29 4.950 -5.420 -5.465 209 2HB ASN 29 2HB ASN 29 3.640 -4.824 -4.445 210 2HD2 ASN 29 2HD2 ASN 29 5.315 -3.173 -5.962 211 1HD2 ASN 29 1HD2 ASN 29 6.293 -2.238 -4.896 212 H ARG 30 H ARG 30 5.763 -7.284 -1.347 213 HA ARG 30 HA ARG 30 3.860 -6.278 0.486 214 1HB ARG 30 1HB ARG 30 6.507 -7.630 0.669 215 2HB ARG 30 2HB ARG 30 5.930 -6.823 2.114 216 1HG ARG 30 1HG ARG 30 4.469 -8.391 2.578 217 2HG ARG 30 2HG ARG 30 3.841 -8.456 0.939 218 1HD ARG 30 1HD ARG 30 4.965 -10.297 0.478 219 2HD ARG 30 2HD ARG 30 6.495 -9.631 1.042 220 HE ARG 30 HE ARG 30 4.911 -10.340 3.266 221 1HH1 ARG 30 1HH1 ARG 30 6.711 -11.828 0.641 222 2HH1 ARG 30 2HH1 ARG 30 6.892 -13.327 1.480 223 1HH2 ARG 30 1HH2 ARG 30 5.328 -12.261 4.419 224 2HH2 ARG 30 2HH2 ARG 30 6.328 -13.480 3.696 225 H ASN 31 H ASN 31 6.304 -4.564 -1.107 226 HA ASN 31 HA ASN 31 6.822 -2.758 1.099 227 1HB ASN 31 1HB ASN 31 8.639 -3.367 -0.423 228 2HB ASN 31 2HB ASN 31 7.757 -2.668 -1.773 229 2HD2 ASN 31 2HD2 ASN 31 9.285 -1.927 1.318 230 1HD2 ASN 31 1HD2 ASN 31 9.602 -0.269 0.951 231 H VAL 32 H VAL 32 4.297 -3.106 -1.057 232 HA VAL 32 HA VAL 32 3.690 -0.220 -0.902 233 HB VAL 32 HB VAL 32 2.723 -0.235 -3.073 234 1HG1 VAL 32 1HG1 VAL 32 5.457 -1.498 -3.074 235 2HG1 VAL 32 2HG1 VAL 32 4.696 -0.771 -4.481 236 3HG1 VAL 32 3HG1 VAL 32 5.070 0.186 -3.059 237 1HG2 VAL 32 1HG2 VAL 32 3.177 -3.195 -2.985 238 2HG2 VAL 32 2HG2 VAL 32 1.712 -2.311 -3.333 239 3HG2 VAL 32 3HG2 VAL 32 3.009 -2.362 -4.520 240 H HIS 33 H HIS 33 1.329 0.205 -1.279 241 HA HIS 33 HA HIS 33 -0.367 -1.973 -0.235 242 1HB HIS 33 1HB HIS 33 -1.095 -0.829 1.565 243 2HB HIS 33 2HB HIS 33 0.470 -0.042 1.454 244 HD1 HIS 33 HD1 HIS 33 -2.977 0.707 1.848 245 HD2 HIS 33 HD2 HIS 33 0.206 2.545 -0.048 246 HE1 HIS 33 HE1 HIS 33 -3.675 3.093 1.509 247 HE2 HIS 33 HE2 HIS 33 -1.601 4.190 0.646 248 H ALA 34 H ALA 34 -2.319 -2.158 -1.188 249 HA ALA 34 HA ALA 34 -2.936 -0.175 -3.266 250 1HB ALA 34 1HB ALA 34 -3.730 -3.057 -3.080 251 2HB ALA 34 2HB ALA 34 -4.197 -1.951 -4.370 252 3HB ALA 34 3HB ALA 34 -2.496 -2.373 -4.133 253 H ILE 35 H ILE 35 -4.634 1.097 -3.016 254 HA ILE 35 HA ILE 35 -6.605 0.464 -0.923 255 HB ILE 35 HB ILE 35 -6.317 3.045 -2.464 256 1HG1 ILE 35 1HG1 ILE 35 -4.952 2.038 0.011 257 2HG1 ILE 35 2HG1 ILE 35 -5.305 3.757 -0.135 258 1HG2 ILE 35 1HG2 ILE 35 -8.498 2.701 -1.443 259 2HG2 ILE 35 2HG2 ILE 35 -7.729 2.382 0.124 260 3HG2 ILE 35 3HG2 ILE 35 -7.603 3.989 -0.619 261 1HD1 ILE 35 1HD1 ILE 35 -4.133 3.173 -2.552 262 2HD1 ILE 35 2HD1 ILE 35 -3.392 3.924 -1.161 263 3HD1 ILE 35 3HD1 ILE 35 -3.225 2.187 -1.405 264 H VAL 36 H VAL 36 -8.408 -0.537 -1.585 265 HA VAL 36 HA VAL 36 -9.198 -0.520 -4.358 266 HB VAL 36 HB VAL 36 -10.615 -1.696 -1.973 267 1HG1 VAL 36 1HG1 VAL 36 -10.987 -2.129 -4.939 268 2HG1 VAL 36 2HG1 VAL 36 -11.704 -3.130 -3.684 269 3HG1 VAL 36 3HG1 VAL 36 -12.137 -1.430 -3.809 270 1HG2 VAL 36 1HG2 VAL 36 -8.653 -2.934 -3.903 271 2HG2 VAL 36 2HG2 VAL 36 -8.421 -2.666 -2.173 272 3HG2 VAL 36 3HG2 VAL 36 -9.620 -3.828 -2.730 273 H LEU 37 H LEU 37 -10.209 1.124 -5.210 274 HA LEU 37 HA LEU 37 -12.449 2.370 -3.746 275 1HB LEU 37 1HB LEU 37 -11.656 4.504 -4.977 276 2HB LEU 37 2HB LEU 37 -10.954 4.050 -3.457 277 HG LEU 37 HG LEU 37 -9.194 2.837 -5.141 278 1HD1 LEU 37 1HD1 LEU 37 -10.387 3.693 -7.137 279 2HD1 LEU 37 2HD1 LEU 37 -10.042 5.334 -6.584 280 3HD1 LEU 37 3HD1 LEU 37 -8.718 4.246 -7.008 281 1HD2 LEU 37 1HD2 LEU 37 -9.274 5.419 -3.728 282 2HD2 LEU 37 2HD2 LEU 37 -8.131 4.082 -3.632 283 3HD2 LEU 37 3HD2 LEU 37 -8.048 5.239 -4.963 284 H LYS 38 H LYS 38 -14.111 3.158 -5.085 285 HA LYS 38 HA LYS 38 -14.239 1.788 -7.650 286 1HB LYS 38 1HB LYS 38 -16.597 2.306 -7.628 287 2HB LYS 38 2HB LYS 38 -16.109 1.585 -6.098 288 1HG LYS 38 1HG LYS 38 -15.935 3.971 -5.207 289 2HG LYS 38 2HG LYS 38 -16.757 4.456 -6.689 290 1HD LYS 38 1HD LYS 38 -18.726 3.389 -6.127 291 2HD LYS 38 2HD LYS 38 -17.938 2.294 -4.988 292 1HE LYS 38 1HE LYS 38 -18.024 5.258 -4.485 293 2HE LYS 38 2HE LYS 38 -19.367 4.204 -4.047 294 1HZ LYS 38 1HZ LYS 38 -17.823 2.873 -2.698 295 2HZ LYS 38 2HZ LYS 38 -16.560 3.950 -3.102 296 3HZ LYS 38 3HZ LYS 38 -17.891 4.500 -2.186 297 H GLU 39 H GLU 39 -14.981 2.809 -9.584 298 HA GLU 39 HA GLU 39 -13.539 4.939 -10.464 299 1HB GLU 39 1HB GLU 39 -15.048 3.347 -11.773 300 2HB GLU 39 2HB GLU 39 -16.365 4.463 -11.434 301 1HG GLU 39 1HG GLU 39 -14.903 6.254 -12.494 302 2HG GLU 39 2HG GLU 39 -13.860 4.939 -13.038 303 H GLY 40 H GLY 40 -13.471 7.065 -10.044 304 1HA GLY 40 1HA GLY 40 -14.497 9.191 -9.900 305 2HA GLY 40 2HA GLY 40 -15.959 8.457 -9.274 306 H SER 41 H SER 41 -13.527 6.938 -7.653 307 HA SER 41 HA SER 41 -14.062 8.305 -5.224 308 1HB SER 41 1HB SER 41 -13.507 6.015 -5.051 309 2HB SER 41 2HB SER 41 -12.056 6.209 -6.036 310 HG SER 41 HG SER 41 -12.166 6.250 -3.440 311 H ALA 42 H ALA 42 -11.939 8.823 -3.829 312 HA ALA 42 HA ALA 42 -10.726 11.120 -5.153 313 1HB ALA 42 1HB ALA 42 -9.835 11.647 -2.938 314 2HB ALA 42 2HB ALA 42 -10.491 10.128 -2.306 315 3HB ALA 42 3HB ALA 42 -11.582 11.384 -2.898 316 H MET 43 H MET 43 -9.158 10.499 -6.518 317 HA MET 43 HA MET 43 -6.957 8.875 -5.410 318 1HB MET 43 1HB MET 43 -6.710 8.133 -7.887 319 2HB MET 43 2HB MET 43 -7.832 7.328 -6.822 320 1HG MET 43 1HG MET 43 -9.690 8.168 -7.808 321 2HG MET 43 2HG MET 43 -8.881 9.607 -8.427 322 1HE MET 43 1HE MET 43 -6.762 9.262 -9.969 323 2HE MET 43 2HE MET 43 -6.223 7.570 -9.822 324 3HE MET 43 3HE MET 43 -6.807 8.178 -11.388 325 H THR 44 H THR 44 -5.530 10.454 -5.025 326 HA THR 44 HA THR 44 -5.146 12.731 -6.613 327 HB THR 44 HB THR 44 -2.826 12.743 -5.502 328 HG1 THR 44 HG1 THR 44 -2.493 11.292 -3.856 329 1HG2 THR 44 1HG2 THR 44 -4.689 13.973 -4.538 330 2HG2 THR 44 2HG2 THR 44 -5.219 12.519 -3.694 331 3HG2 THR 44 3HG2 THR 44 -3.668 13.252 -3.290 332 H LYS 45 H LYS 45 -3.625 13.243 -8.181 333 HA LYS 45 HA LYS 45 -2.955 11.054 -9.942 334 1HB LYS 45 1HB LYS 45 -2.837 14.038 -10.068 335 2HB LYS 45 2HB LYS 45 -1.841 13.128 -11.193 336 1HG LYS 45 1HG LYS 45 -4.818 12.767 -10.893 337 2HG LYS 45 2HG LYS 45 -4.042 13.812 -12.084 338 1HD LYS 45 1HD LYS 45 -2.925 11.928 -13.090 339 2HD LYS 45 2HD LYS 45 -3.555 10.835 -11.860 340 1HE LYS 45 1HE LYS 45 -5.877 11.615 -12.662 341 2HE LYS 45 2HE LYS 45 -5.012 12.238 -14.070 342 1HZ LYS 45 1HZ LYS 45 -4.174 10.006 -14.501 343 2HZ LYS 45 2HZ LYS 45 -5.008 9.415 -13.130 344 3HZ LYS 45 3HZ LYS 45 -5.875 10.027 -14.463 345 H ASP 46 H ASP 46 -1.322 12.966 -7.566 346 HA ASP 46 HA ASP 46 1.290 12.912 -8.313 347 1HB ASP 46 1HB ASP 46 -0.153 13.053 -5.797 348 2HB ASP 46 2HB ASP 46 1.317 12.116 -5.583 349 H PHE 47 H PHE 47 3.096 11.489 -7.663 350 HA PHE 47 HA PHE 47 2.336 8.671 -8.123 351 1HB PHE 47 1HB PHE 47 3.769 9.518 -9.809 352 2HB PHE 47 2HB PHE 47 4.891 10.192 -8.633 353 HD1 PHE 47 HD1 PHE 47 6.501 8.773 -7.513 354 HD2 PHE 47 HD2 PHE 47 3.665 7.125 -10.233 355 HE1 PHE 47 HE1 PHE 47 7.762 6.666 -7.551 356 HE2 PHE 47 HE2 PHE 47 4.939 5.035 -10.291 357 HZ PHE 47 HZ PHE 47 6.976 4.796 -8.954 358 H ARG 48 H ARG 48 2.676 7.154 -6.652 359 HA ARG 48 HA ARG 48 4.637 7.549 -4.509 360 1HB ARG 48 1HB ARG 48 1.768 6.809 -3.910 361 2HB ARG 48 2HB ARG 48 3.074 6.991 -2.760 362 1HG ARG 48 1HG ARG 48 2.994 9.449 -4.041 363 2HG ARG 48 2HG ARG 48 1.308 8.974 -3.927 364 1HD ARG 48 1HD ARG 48 3.295 9.081 -1.668 365 2HD ARG 48 2HD ARG 48 2.083 10.293 -2.033 366 HE ARG 48 HE ARG 48 1.413 7.500 -1.299 367 1HH1 ARG 48 1HH1 ARG 48 0.842 10.963 -0.961 368 2HH1 ARG 48 2HH1 ARG 48 -0.455 10.741 0.141 369 1HH2 ARG 48 1HH2 ARG 48 -0.334 7.255 0.139 370 2HH2 ARG 48 2HH2 ARG 48 -1.115 8.658 0.786 371 H CYS 49 H CYS 49 5.888 5.823 -4.807 372 HA CYS 49 HA CYS 49 5.128 3.446 -6.020 373 1HB CYS 49 1HB CYS 49 7.475 4.389 -4.498 374 2HB CYS 49 2HB CYS 49 7.264 2.652 -4.536 375 H ASP 50 H ASP 50 5.038 4.389 -2.656 376 HA ASP 50 HA ASP 50 4.510 1.714 -1.705 377 1HB ASP 50 1HB ASP 50 4.179 2.779 0.465 378 2HB ASP 50 2HB ASP 50 5.648 3.373 -0.300 379 H ARG 51 H ARG 51 2.608 3.861 -3.409 380 HA ARG 51 HA ARG 51 0.163 2.813 -2.172 381 1HB ARG 51 1HB ARG 51 0.642 5.325 -1.971 382 2HB ARG 51 2HB ARG 51 0.347 5.395 -3.705 383 1HG ARG 51 1HG ARG 51 -1.913 4.431 -3.302 384 2HG ARG 51 2HG ARG 51 -1.573 4.531 -1.576 385 1HD ARG 51 1HD ARG 51 -1.213 6.938 -1.806 386 2HD ARG 51 2HD ARG 51 -2.856 6.457 -2.213 387 HE ARG 51 HE ARG 51 -1.751 6.456 -4.624 388 1HH1 ARG 51 1HH1 ARG 51 -1.588 8.848 -2.064 389 2HH1 ARG 51 2HH1 ARG 51 -1.052 10.094 -3.112 390 1HH2 ARG 51 1HH2 ARG 51 -1.434 8.231 -6.048 391 2HH2 ARG 51 2HH2 ARG 51 -1.171 9.797 -5.379 392 H VAL 52 H VAL 52 -1.413 2.019 -3.462 393 HA VAL 52 HA VAL 52 -1.022 2.091 -6.383 394 HB VAL 52 HB VAL 52 -1.525 -0.447 -4.803 395 1HG1 VAL 52 1HG1 VAL 52 -2.803 -0.382 -6.921 396 2HG1 VAL 52 2HG1 VAL 52 -1.249 -0.030 -7.794 397 3HG1 VAL 52 3HG1 VAL 52 -1.466 -1.608 -6.935 398 1HG2 VAL 52 1HG2 VAL 52 0.889 0.650 -6.188 399 2HG2 VAL 52 2HG2 VAL 52 0.746 -0.083 -4.594 400 3HG2 VAL 52 3HG2 VAL 52 0.666 -1.085 -6.037 401 H TRP 53 H TRP 53 -2.834 2.978 -7.155 402 HA TRP 53 HA TRP 53 -5.290 2.921 -5.657 403 1HB TRP 53 1HB TRP 53 -4.512 4.044 -8.337 404 2HB TRP 53 2HB TRP 53 -6.182 4.084 -7.802 405 HD1 TRP 53 HD1 TRP 53 -4.009 6.572 -8.355 406 HE1 TRP 53 HE1 TRP 53 -3.946 8.432 -6.573 407 HE3 TRP 53 HE3 TRP 53 -6.088 4.025 -4.468 408 HZ2 TRP 53 HZ2 TRP 53 -4.669 8.752 -3.864 409 HZ3 TRP 53 HZ3 TRP 53 -6.371 5.162 -2.318 410 HH2 TRP 53 HH2 TRP 53 -5.670 7.479 -2.016 411 H VAL 54 H VAL 54 -7.006 1.586 -5.887 412 HA VAL 54 HA VAL 54 -6.961 -0.277 -8.194 413 HB VAL 54 HB VAL 54 -7.613 -0.747 -5.299 414 1HG1 VAL 54 1HG1 VAL 54 -8.690 -2.238 -7.678 415 2HG1 VAL 54 2HG1 VAL 54 -8.394 -3.061 -6.148 416 3HG1 VAL 54 3HG1 VAL 54 -9.518 -1.727 -6.213 417 1HG2 VAL 54 1HG2 VAL 54 -5.303 -1.139 -6.280 418 2HG2 VAL 54 2HG2 VAL 54 -6.069 -2.485 -5.415 419 3HG2 VAL 54 3HG2 VAL 54 -6.047 -2.479 -7.179 420 H ILE 55 H ILE 55 -8.280 1.053 -9.451 421 HA ILE 55 HA ILE 55 -10.797 2.002 -8.457 422 HB ILE 55 HB ILE 55 -9.863 1.920 -11.309 423 1HG1 ILE 55 1HG1 ILE 55 -9.734 4.521 -10.029 424 2HG1 ILE 55 2HG1 ILE 55 -8.753 3.380 -9.133 425 1HG2 ILE 55 1HG2 ILE 55 -12.013 3.511 -9.924 426 2HG2 ILE 55 2HG2 ILE 55 -11.451 3.811 -11.569 427 3HG2 ILE 55 3HG2 ILE 55 -12.227 2.283 -11.174 428 1HD1 ILE 55 1HD1 ILE 55 -8.532 3.852 -12.097 429 2HD1 ILE 55 2HD1 ILE 55 -7.530 4.612 -10.857 430 3HD1 ILE 55 3HD1 ILE 55 -7.473 2.868 -11.081 431 H VAL 56 H VAL 56 -12.620 0.869 -8.345 432 HA VAL 56 HA VAL 56 -12.979 -1.409 -10.156 433 HB VAL 56 HB VAL 56 -14.216 -2.554 -8.432 434 1HG1 VAL 56 1HG1 VAL 56 -11.746 -2.804 -8.560 435 2HG1 VAL 56 2HG1 VAL 56 -11.616 -1.581 -7.255 436 3HG1 VAL 56 3HG1 VAL 56 -12.440 -3.151 -6.952 437 1HG2 VAL 56 1HG2 VAL 56 -13.637 -0.156 -6.712 438 2HG2 VAL 56 2HG2 VAL 56 -15.220 -0.705 -7.258 439 3HG2 VAL 56 3HG2 VAL 56 -14.300 -1.679 -6.121 440 H ASN 57 H ASN 57 -15.255 -2.030 -10.492 441 HA ASN 57 HA ASN 57 -16.822 0.360 -11.101 442 1HB ASN 57 1HB ASN 57 -18.264 -1.195 -12.366 443 2HB ASN 57 2HB ASN 57 -16.574 -1.341 -12.818 444 2HD2 ASN 57 2HD2 ASN 57 -16.975 -3.428 -13.646 445 1HD2 ASN 57 1HD2 ASN 57 -17.274 -4.768 -12.598 446 H ASP 58 H ASP 58 -19.373 -0.322 -10.947 447 HA ASP 58 HA ASP 58 -20.043 0.028 -8.267 448 1HB ASP 58 1HB ASP 58 -21.686 -0.941 -10.612 449 2HB ASP 58 2HB ASP 58 -22.384 -0.583 -9.034 450 H HIS 59 H HIS 59 -19.388 -2.906 -10.019 451 HA HIS 59 HA HIS 59 -20.700 -4.606 -8.068 452 1HB HIS 59 1HB HIS 59 -18.984 -5.226 -10.487 453 2HB HIS 59 2HB HIS 59 -19.690 -6.440 -9.434 454 HD1 HIS 59 HD1 HIS 59 -20.454 -6.423 -12.367 455 HD2 HIS 59 HD2 HIS 59 -22.562 -4.349 -9.449 456 HE1 HIS 59 HE1 HIS 59 -22.823 -6.299 -13.204 457 HE2 HIS 59 HE2 HIS 59 -24.024 -4.852 -11.522 458 H GLY 60 H GLY 60 -17.577 -3.180 -8.518 459 1HA GLY 60 1HA GLY 60 -16.013 -3.127 -6.763 460 2HA GLY 60 2HA GLY 60 -16.594 -4.677 -6.183 461 H VAL 61 H VAL 61 -16.051 -4.201 -9.594 462 HA VAL 61 HA VAL 61 -13.814 -6.101 -9.473 463 HB VAL 61 HB VAL 61 -15.315 -5.161 -11.915 464 1HG1 VAL 61 1HG1 VAL 61 -13.540 -7.535 -11.407 465 2HG1 VAL 61 2HG1 VAL 61 -14.457 -7.247 -12.884 466 3HG1 VAL 61 3HG1 VAL 61 -13.173 -6.138 -12.422 467 1HG2 VAL 61 1HG2 VAL 61 -15.877 -7.492 -10.094 468 2HG2 VAL 61 2HG2 VAL 61 -16.969 -6.159 -10.506 469 3HG2 VAL 61 3HG2 VAL 61 -16.523 -7.359 -11.737 470 H VAL 62 H VAL 62 -11.813 -5.622 -10.418 471 HA VAL 62 HA VAL 62 -11.119 -2.838 -10.468 472 HB VAL 62 HB VAL 62 -9.415 -5.202 -11.268 473 1HG1 VAL 62 1HG1 VAL 62 -8.836 -2.289 -10.796 474 2HG1 VAL 62 2HG1 VAL 62 -7.591 -3.515 -10.553 475 3HG1 VAL 62 3HG1 VAL 62 -8.353 -3.348 -12.128 476 1HG2 VAL 62 1HG2 VAL 62 -10.088 -4.002 -8.615 477 2HG2 VAL 62 2HG2 VAL 62 -9.822 -5.697 -9.073 478 3HG2 VAL 62 3HG2 VAL 62 -8.445 -4.592 -8.892 479 H THR 63 H THR 63 -11.574 -1.561 -12.129 480 HA THR 63 HA THR 63 -11.751 -2.687 -14.835 481 HB THR 63 HB THR 63 -12.786 -0.589 -15.443 482 HG1 THR 63 HG1 THR 63 -11.838 0.960 -14.265 483 1HG2 THR 63 1HG2 THR 63 -14.257 -2.235 -14.406 484 2HG2 THR 63 2HG2 THR 63 -13.916 -1.539 -12.821 485 3HG2 THR 63 3HG2 THR 63 -14.757 -0.583 -14.043 486 H SER 64 H SER 64 -9.801 -0.488 -12.898 487 HA SER 64 HA SER 64 -8.170 0.149 -15.269 488 1HB SER 64 1HB SER 64 -9.130 1.805 -13.314 489 2HB SER 64 2HB SER 64 -7.502 1.482 -12.726 490 HG SER 64 HG SER 64 -6.673 2.341 -14.570 491 H VAL 65 H VAL 65 -5.914 0.015 -15.148 492 HA VAL 65 HA VAL 65 -4.908 -2.386 -14.059 493 HB VAL 65 HB VAL 65 -3.178 -0.111 -14.971 494 1HG1 VAL 65 1HG1 VAL 65 -2.759 -2.888 -14.270 495 2HG1 VAL 65 2HG1 VAL 65 -2.205 -2.555 -15.913 496 3HG1 VAL 65 3HG1 VAL 65 -1.600 -1.599 -14.569 497 1HG2 VAL 65 1HG2 VAL 65 -4.833 -1.985 -16.641 498 2HG2 VAL 65 2HG2 VAL 65 -4.715 -0.208 -16.709 499 3HG2 VAL 65 3HG2 VAL 65 -3.363 -1.211 -17.258 500 1HB PRO 66 1HB PRO 66 -3.441 -2.844 -8.771 501 2HB PRO 66 2HB PRO 66 -5.107 -2.289 -8.894 502 1HG PRO 66 1HG PRO 66 -5.287 -4.307 -9.986 503 2HG PRO 66 2HG PRO 66 -3.645 -4.201 -10.650 504 1HD PRO 66 1HD PRO 66 -4.860 -3.579 -12.513 505 2HD PRO 66 2HD PRO 66 -6.114 -2.830 -11.549 506 H HIS 67 H HIS 67 -2.458 0.720 -10.686 507 HA HIS 67 HA HIS 67 0.139 -0.650 -10.511 508 1HB HIS 67 1HB HIS 67 -0.359 -0.028 -12.814 509 2HB HIS 67 2HB HIS 67 0.969 0.945 -12.193 510 HD1 HIS 67 HD1 HIS 67 -2.840 1.380 -12.296 511 HD2 HIS 67 HD2 HIS 67 0.645 3.500 -12.933 512 HE1 HIS 67 HE1 HIS 67 -3.586 3.639 -13.027 513 HE2 HIS 67 HE2 HIS 67 -1.458 4.905 -13.468 514 H ILE 68 H ILE 68 1.864 0.545 -9.685 515 HA ILE 68 HA ILE 68 1.446 1.949 -7.381 516 HB ILE 68 HB ILE 68 3.688 1.331 -9.069 517 1HG1 ILE 68 1HG1 ILE 68 3.501 1.915 -6.141 518 2HG1 ILE 68 2HG1 ILE 68 3.265 0.343 -6.884 519 1HG2 ILE 68 1HG2 ILE 68 3.835 4.002 -7.674 520 2HG2 ILE 68 2HG2 ILE 68 5.223 3.148 -8.318 521 3HG2 ILE 68 3HG2 ILE 68 3.969 3.667 -9.394 522 1HD1 ILE 68 1HD1 ILE 68 5.828 1.866 -6.982 523 2HD1 ILE 68 2HD1 ILE 68 5.494 0.580 -5.868 524 3HD1 ILE 68 3HD1 ILE 68 5.542 0.268 -7.585 525 H THR 69 H THR 69 0.440 3.805 -7.021 526 HA THR 69 HA THR 69 1.166 6.201 -8.467 527 HB THR 69 HB THR 69 -1.570 4.960 -8.798 528 HG1 THR 69 HG1 THR 69 0.264 5.991 -10.726 529 1HG2 THR 69 1HG2 THR 69 -0.745 7.778 -9.439 530 2HG2 THR 69 2HG2 THR 69 -2.209 6.992 -10.016 531 3HG2 THR 69 3HG2 THR 69 -1.991 7.295 -8.305 No H/Q in entry = 531 Start of MODEL 20 1 H SER 1 H SER 1 9.472 9.310 -10.418 2 HA SER 1 HA SER 1 9.775 6.673 -9.123 3 1HB SER 1 1HB SER 1 9.076 7.039 -11.505 4 2HB SER 1 2HB SER 1 10.724 7.555 -11.906 5 HG SER 1 HG SER 1 10.482 5.361 -12.328 6 H ARG 2 H ARG 2 11.573 5.781 -7.951 7 HA ARG 2 HA ARG 2 14.243 6.611 -8.765 8 1HB ARG 2 1HB ARG 2 14.912 7.269 -6.497 9 2HB ARG 2 2HB ARG 2 13.700 8.344 -7.168 10 1HG ARG 2 1HG ARG 2 12.256 7.947 -5.550 11 2HG ARG 2 2HG ARG 2 12.440 6.200 -5.664 12 1HD ARG 2 1HD ARG 2 14.826 7.137 -4.489 13 2HD ARG 2 2HD ARG 2 13.527 8.069 -3.749 14 HE ARG 2 HE ARG 2 12.648 5.476 -3.660 15 1HH1 ARG 2 1HH1 ARG 2 15.479 7.201 -2.486 16 2HH1 ARG 2 2HH1 ARG 2 15.691 6.143 -1.143 17 1HH2 ARG 2 1HH2 ARG 2 12.950 4.106 -1.873 18 2HH2 ARG 2 2HH2 ARG 2 14.269 4.391 -0.786 19 H ARG 3 H ARG 3 13.613 4.228 -9.319 20 HA ARG 3 HA ARG 3 13.983 2.023 -8.999 21 1HB ARG 3 1HB ARG 3 16.261 3.000 -8.548 22 2HB ARG 3 2HB ARG 3 15.922 2.890 -6.830 23 1HG ARG 3 1HG ARG 3 15.624 0.451 -8.557 24 2HG ARG 3 2HG ARG 3 17.236 1.018 -8.122 25 1HD ARG 3 1HD ARG 3 15.859 1.086 -5.709 26 2HD ARG 3 2HD ARG 3 15.241 -0.356 -6.508 27 HE ARG 3 HE ARG 3 17.796 0.008 -5.337 28 1HH1 ARG 3 1HH1 ARG 3 16.190 -1.593 -8.028 29 2HH1 ARG 3 2HH1 ARG 3 17.385 -2.820 -8.148 30 1HH2 ARG 3 1HH2 ARG 3 19.353 -1.657 -5.512 31 2HH2 ARG 3 2HH2 ARG 3 19.167 -2.879 -6.727 32 H CYS 4 H CYS 4 11.943 1.449 -8.207 33 HA CYS 4 HA CYS 4 11.741 1.240 -5.283 34 1HB CYS 4 1HB CYS 4 9.475 1.319 -7.270 35 2HB CYS 4 2HB CYS 4 9.331 1.270 -5.513 36 1HB PRO 5 1HB PRO 5 12.185 -3.791 -3.727 37 2HB PRO 5 2HB PRO 5 10.508 -3.508 -3.262 38 1HG PRO 5 1HG PRO 5 11.388 -1.800 -2.043 39 2HG PRO 5 2HG PRO 5 12.858 -1.727 -3.031 40 1HD PRO 5 1HD PRO 5 11.826 0.179 -3.771 41 2HD PRO 5 2HD PRO 5 10.190 -0.455 -3.496 42 H GLY 6 H GLY 6 10.357 -5.068 -5.759 43 1HA GLY 6 1HA GLY 6 8.424 -6.130 -6.305 44 2HA GLY 6 2HA GLY 6 7.591 -4.892 -5.424 45 H LYS 7 H LYS 7 6.319 -5.922 -7.485 46 HA LYS 7 HA LYS 7 6.818 -4.736 -10.012 47 1HB LYS 7 1HB LYS 7 5.533 -6.797 -9.534 48 2HB LYS 7 2HB LYS 7 4.234 -5.832 -8.933 49 1HG LYS 7 1HG LYS 7 3.759 -4.902 -11.012 50 2HG LYS 7 2HG LYS 7 5.280 -5.455 -11.710 51 1HD LYS 7 1HD LYS 7 2.974 -7.194 -10.819 52 2HD LYS 7 2HD LYS 7 3.396 -6.808 -12.483 53 1HE LYS 7 1HE LYS 7 5.606 -7.892 -12.107 54 2HE LYS 7 2HE LYS 7 5.045 -8.388 -10.511 55 1HZ LYS 7 1HZ LYS 7 3.252 -9.626 -11.572 56 2HZ LYS 7 2HZ LYS 7 3.842 -9.185 -13.097 57 3HZ LYS 7 3HZ LYS 7 4.775 -10.160 -12.078 58 H ASN 8 H ASN 8 5.795 -2.976 -11.051 59 HA ASN 8 HA ASN 8 4.679 -0.969 -9.191 60 1HB ASN 8 1HB ASN 8 5.468 0.710 -10.739 61 2HB ASN 8 2HB ASN 8 5.953 -0.534 -11.893 62 2HD2 ASN 8 2HD2 ASN 8 7.916 1.013 -11.452 63 1HD2 ASN 8 1HD2 ASN 8 9.034 0.395 -10.290 64 H ALA 9 H ALA 9 3.589 -3.076 -11.524 65 HA ALA 9 HA ALA 9 1.061 -1.729 -11.716 66 1HB ALA 9 1HB ALA 9 2.657 -2.174 -14.235 67 2HB ALA 9 2HB ALA 9 0.993 -1.588 -14.141 68 3HB ALA 9 3HB ALA 9 2.311 -0.607 -13.502 69 H TRP 10 H TRP 10 -0.558 -3.218 -11.900 70 HA TRP 10 HA TRP 10 0.272 -5.977 -12.610 71 1HB TRP 10 1HB TRP 10 -1.674 -5.016 -10.529 72 2HB TRP 10 2HB TRP 10 -1.549 -6.685 -11.057 73 HD1 TRP 10 HD1 TRP 10 0.291 -8.150 -9.983 74 HE1 TRP 10 HE1 TRP 10 2.101 -7.744 -8.208 75 HE3 TRP 10 HE3 TRP 10 -0.006 -3.065 -9.632 76 HZ2 TRP 10 HZ2 TRP 10 3.245 -5.567 -6.840 77 HZ3 TRP 10 HZ3 TRP 10 1.472 -1.887 -8.062 78 HH2 TRP 10 HH2 TRP 10 3.062 -3.123 -6.683 79 1HB PRO 11 1HB PRO 11 -1.979 -4.783 -17.752 80 2HB PRO 11 2HB PRO 11 -1.289 -6.341 -17.283 81 1HG PRO 11 1HG PRO 11 0.615 -5.038 -17.200 82 2HG PRO 11 2HG PRO 11 -0.285 -3.580 -16.747 83 1HD PRO 11 1HD PRO 11 0.481 -4.101 -14.680 84 2HD PRO 11 2HD PRO 11 0.675 -5.821 -15.033 85 H GLU 12 H GLU 12 -1.587 -7.610 -15.005 86 HA GLU 12 HA GLU 12 -3.697 -9.159 -16.027 87 1HB GLU 12 1HB GLU 12 -2.816 -10.956 -14.551 88 2HB GLU 12 2HB GLU 12 -1.602 -10.184 -15.558 89 1HG GLU 12 1HG GLU 12 -1.881 -8.917 -12.930 90 2HG GLU 12 2HG GLU 12 -1.451 -10.623 -12.853 91 H LEU 13 H LEU 13 -3.676 -7.131 -13.275 92 HA LEU 13 HA LEU 13 -5.621 -8.630 -11.784 93 1HB LEU 13 1HB LEU 13 -4.432 -5.900 -11.502 94 2HB LEU 13 2HB LEU 13 -5.755 -6.403 -10.480 95 HG LEU 13 HG LEU 13 -3.004 -7.626 -10.611 96 1HD1 LEU 13 1HD1 LEU 13 -3.143 -5.553 -9.321 97 2HD1 LEU 13 2HD1 LEU 13 -4.439 -6.200 -8.401 98 3HD1 LEU 13 3HD1 LEU 13 -2.860 -6.916 -8.283 99 1HD2 LEU 13 1HD2 LEU 13 -5.552 -8.673 -9.538 100 2HD2 LEU 13 2HD2 LEU 13 -4.149 -9.512 -10.188 101 3HD2 LEU 13 3HD2 LEU 13 -4.121 -8.878 -8.566 102 H VAL 14 H VAL 14 -5.652 -6.300 -14.317 103 HA VAL 14 HA VAL 14 -8.093 -5.045 -13.950 104 HB VAL 14 HB VAL 14 -6.917 -5.955 -16.591 105 1HG1 VAL 14 1HG1 VAL 14 -8.938 -3.803 -15.949 106 2HG1 VAL 14 2HG1 VAL 14 -8.188 -4.054 -17.526 107 3HG1 VAL 14 3HG1 VAL 14 -9.236 -5.289 -16.849 108 1HG2 VAL 14 1HG2 VAL 14 -5.397 -4.550 -15.116 109 2HG2 VAL 14 2HG2 VAL 14 -5.780 -3.884 -16.692 110 3HG2 VAL 14 3HG2 VAL 14 -6.593 -3.274 -15.259 111 H GLY 15 H GLY 15 -10.015 -5.984 -13.542 112 1HA GLY 15 1HA GLY 15 -11.891 -7.145 -14.510 113 2HA GLY 15 2HA GLY 15 -10.796 -8.352 -15.157 114 H LYS 16 H LYS 16 -9.447 -7.886 -12.289 115 HA LYS 16 HA LYS 16 -10.958 -10.070 -11.075 116 1HB LYS 16 1HB LYS 16 -8.375 -9.966 -11.370 117 2HB LYS 16 2HB LYS 16 -8.401 -8.897 -9.993 118 1HG LYS 16 1HG LYS 16 -9.569 -10.648 -8.704 119 2HG LYS 16 2HG LYS 16 -7.948 -11.094 -9.206 120 1HD LYS 16 1HD LYS 16 -10.229 -11.871 -10.989 121 2HD LYS 16 2HD LYS 16 -10.038 -12.719 -9.466 122 1HE LYS 16 1HE LYS 16 -8.894 -13.833 -11.328 123 2HE LYS 16 2HE LYS 16 -7.793 -13.357 -10.038 124 1HZ LYS 16 1HZ LYS 16 -8.218 -11.738 -12.494 125 2HZ LYS 16 2HZ LYS 16 -7.010 -11.543 -11.319 126 3HZ LYS 16 3HZ LYS 16 -6.996 -12.891 -12.327 127 H SER 17 H SER 17 -11.497 -10.027 -8.803 128 HA SER 17 HA SER 17 -12.951 -7.775 -8.059 129 1HB SER 17 1HB SER 17 -13.401 -8.868 -6.035 130 2HB SER 17 2HB SER 17 -13.097 -10.190 -7.158 131 HG SER 17 HG SER 17 -11.604 -10.777 -5.815 132 H GLY 18 H GLY 18 -12.579 -6.026 -6.720 133 1HA GLY 18 1HA GLY 18 -10.087 -4.849 -6.619 134 2HA GLY 18 2HA GLY 18 -11.395 -4.474 -5.522 135 H ASN 19 H ASN 19 -11.466 -7.173 -4.384 136 HA ASN 19 HA ASN 19 -9.497 -6.796 -2.349 137 1HB ASN 19 1HB ASN 19 -10.372 -9.013 -1.492 138 2HB ASN 19 2HB ASN 19 -11.572 -7.741 -1.691 139 2HD2 ASN 19 2HD2 ASN 19 -10.488 -10.840 -2.777 140 1HD2 ASN 19 1HD2 ASN 19 -11.840 -11.163 -3.796 141 H MET 20 H MET 20 -9.915 -9.160 -4.973 142 HA MET 20 HA MET 20 -7.644 -10.686 -4.346 143 1HB MET 20 1HB MET 20 -9.673 -10.866 -6.226 144 2HB MET 20 2HB MET 20 -8.274 -10.536 -7.189 145 1HG MET 20 1HG MET 20 -8.681 -12.903 -7.003 146 2HG MET 20 2HG MET 20 -8.591 -12.796 -5.250 147 1HE MET 20 1HE MET 20 -6.855 -12.469 -3.919 148 2HE MET 20 2HE MET 20 -5.797 -13.814 -4.314 149 3HE MET 20 3HE MET 20 -5.166 -12.172 -4.315 150 H ALA 21 H ALA 21 -8.145 -7.898 -6.444 151 HA ALA 21 HA ALA 21 -5.573 -7.798 -7.547 152 1HB ALA 21 1HB ALA 21 -7.725 -5.768 -7.164 153 2HB ALA 21 2HB ALA 21 -6.172 -5.299 -7.849 154 3HB ALA 21 3HB ALA 21 -7.156 -6.518 -8.654 155 H ALA 22 H ALA 22 -6.941 -5.916 -4.856 156 HA ALA 22 HA ALA 22 -4.637 -4.586 -4.101 157 1HB ALA 22 1HB ALA 22 -6.795 -5.599 -2.252 158 2HB ALA 22 2HB ALA 22 -6.874 -4.113 -3.194 159 3HB ALA 22 3HB ALA 22 -5.665 -4.284 -1.923 160 H ALA 23 H ALA 23 -5.759 -7.807 -3.153 161 HA ALA 23 HA ALA 23 -3.732 -8.350 -1.271 162 1HB ALA 23 1HB ALA 23 -5.317 -10.248 -3.000 163 2HB ALA 23 2HB ALA 23 -4.343 -10.714 -1.603 164 3HB ALA 23 3HB ALA 23 -5.752 -9.677 -1.391 165 H THR 24 H THR 24 -3.953 -9.011 -4.763 166 HA THR 24 HA THR 24 -1.552 -10.423 -5.038 167 HB THR 24 HB THR 24 -2.854 -8.578 -7.038 168 HG1 THR 24 HG1 THR 24 -3.723 -10.721 -7.759 169 1HG2 THR 24 1HG2 THR 24 -0.939 -10.865 -7.429 170 2HG2 THR 24 2HG2 THR 24 -1.871 -10.107 -8.719 171 3HG2 THR 24 3HG2 THR 24 -0.673 -9.169 -7.833 172 H VAL 25 H VAL 25 -2.196 -6.948 -5.141 173 HA VAL 25 HA VAL 25 0.443 -6.178 -5.859 174 HB VAL 25 HB VAL 25 -1.582 -4.517 -4.342 175 1HG1 VAL 25 1HG1 VAL 25 1.061 -3.980 -5.240 176 2HG1 VAL 25 2HG1 VAL 25 -0.052 -3.051 -6.223 177 3HG1 VAL 25 3HG1 VAL 25 -0.097 -2.898 -4.486 178 1HG2 VAL 25 1HG2 VAL 25 -1.367 -5.173 -7.269 179 2HG2 VAL 25 2HG2 VAL 25 -2.765 -5.228 -6.214 180 3HG2 VAL 25 3HG2 VAL 25 -2.120 -3.683 -6.708 181 H GLU 26 H GLU 26 -1.237 -5.977 -2.693 182 HA GLU 26 HA GLU 26 1.062 -5.242 -1.239 183 1HB GLU 26 1HB GLU 26 -1.498 -6.603 -0.407 184 2HB GLU 26 2HB GLU 26 -0.270 -6.101 0.752 185 1HG GLU 26 1HG GLU 26 -0.725 -3.905 0.524 186 2HG GLU 26 2HG GLU 26 -1.221 -4.043 -1.162 187 H ARG 27 H ARG 27 -0.001 -8.356 -2.405 188 HA ARG 27 HA ARG 27 1.719 -9.837 -0.602 189 1HB ARG 27 1HB ARG 27 -0.517 -10.592 -1.659 190 2HB ARG 27 2HB ARG 27 0.432 -10.982 -3.084 191 1HG ARG 27 1HG ARG 27 1.558 -12.685 -2.000 192 2HG ARG 27 2HG ARG 27 1.246 -12.024 -0.393 193 1HD ARG 27 1HD ARG 27 -1.108 -12.575 -0.626 194 2HD ARG 27 2HD ARG 27 -0.087 -14.001 -0.755 195 HE ARG 27 HE ARG 27 -0.345 -13.668 -3.266 196 1HH1 ARG 27 1HH1 ARG 27 -2.874 -12.856 -0.947 197 2HH1 ARG 27 2HH1 ARG 27 -4.132 -13.072 -2.096 198 1HH2 ARG 27 1HH2 ARG 27 -2.044 -13.937 -4.752 199 2HH2 ARG 27 2HH2 ARG 27 -3.667 -13.730 -4.231 200 H GLU 28 H GLU 28 1.575 -9.437 -4.157 201 HA GLU 28 HA GLU 28 4.108 -10.582 -4.647 202 1HB GLU 28 1HB GLU 28 2.539 -8.578 -6.281 203 2HB GLU 28 2HB GLU 28 3.962 -9.440 -6.855 204 1HG GLU 28 1HG GLU 28 2.671 -11.576 -6.325 205 2HG GLU 28 2HG GLU 28 1.250 -10.554 -6.203 206 H ASN 29 H ASN 29 3.105 -7.366 -3.708 207 HA ASN 29 HA ASN 29 5.944 -6.570 -3.574 208 1HB ASN 29 1HB ASN 29 4.805 -5.501 -5.498 209 2HB ASN 29 2HB ASN 29 3.636 -4.780 -4.394 210 2HD2 ASN 29 2HD2 ASN 29 5.552 -3.491 -6.195 211 1HD2 ASN 29 1HD2 ASN 29 6.545 -2.503 -5.181 212 H ARG 30 H ARG 30 5.892 -7.185 -1.382 213 HA ARG 30 HA ARG 30 4.021 -6.238 0.500 214 1HB ARG 30 1HB ARG 30 6.267 -7.912 0.532 215 2HB ARG 30 2HB ARG 30 6.688 -6.605 1.615 216 1HG ARG 30 1HG ARG 30 4.523 -7.005 2.805 217 2HG ARG 30 2HG ARG 30 4.294 -8.417 1.774 218 1HD ARG 30 1HD ARG 30 5.525 -9.628 3.142 219 2HD ARG 30 2HD ARG 30 6.922 -8.600 2.860 220 HE ARG 30 HE ARG 30 5.141 -8.602 5.142 221 1HH1 ARG 30 1HH1 ARG 30 7.556 -6.763 3.366 222 2HH1 ARG 30 2HH1 ARG 30 7.945 -5.773 4.707 223 1HH2 ARG 30 1HH2 ARG 30 5.693 -7.265 6.910 224 2HH2 ARG 30 2HH2 ARG 30 6.915 -6.052 6.719 225 H ASN 31 H ASN 31 6.309 -4.426 -1.224 226 HA ASN 31 HA ASN 31 6.820 -2.536 0.915 227 1HB ASN 31 1HB ASN 31 8.567 -3.084 -0.735 228 2HB ASN 31 2HB ASN 31 7.574 -2.402 -2.014 229 2HD2 ASN 31 2HD2 ASN 31 9.001 -1.570 1.132 230 1HD2 ASN 31 1HD2 ASN 31 9.343 0.070 0.710 231 H VAL 32 H VAL 32 4.300 -3.033 -1.313 232 HA VAL 32 HA VAL 32 3.567 -0.173 -1.195 233 HB VAL 32 HB VAL 32 2.287 -0.439 -3.182 234 1HG1 VAL 32 1HG1 VAL 32 5.083 -0.723 -3.134 235 2HG1 VAL 32 2HG1 VAL 32 4.474 -1.827 -4.342 236 3HG1 VAL 32 3HG1 VAL 32 4.048 -0.165 -4.442 237 1HG2 VAL 32 1HG2 VAL 32 2.884 -3.359 -2.889 238 2HG2 VAL 32 2HG2 VAL 32 1.327 -2.572 -3.029 239 3HG2 VAL 32 3HG2 VAL 32 2.402 -2.665 -4.414 240 H HIS 33 H HIS 33 1.147 0.102 -1.504 241 HA HIS 33 HA HIS 33 -0.427 -1.887 -0.059 242 1HB HIS 33 1HB HIS 33 -0.860 -0.666 1.774 243 2HB HIS 33 2HB HIS 33 0.627 0.178 1.382 244 HD1 HIS 33 HD1 HIS 33 -2.893 0.720 1.999 245 HD2 HIS 33 HD2 HIS 33 0.106 2.690 -0.071 246 HE1 HIS 33 HE1 HIS 33 -3.699 3.079 1.717 247 HE2 HIS 33 HE2 HIS 33 -1.825 4.265 0.534 248 H ALA 34 H ALA 34 -2.308 -2.180 -1.081 249 HA ALA 34 HA ALA 34 -3.065 -0.264 -3.142 250 1HB ALA 34 1HB ALA 34 -4.595 -2.121 -3.879 251 2HB ALA 34 2HB ALA 34 -2.868 -2.433 -3.987 252 3HB ALA 34 3HB ALA 34 -3.807 -3.122 -2.667 253 H ILE 35 H ILE 35 -4.785 1.007 -3.012 254 HA ILE 35 HA ILE 35 -6.648 0.639 -0.747 255 HB ILE 35 HB ILE 35 -6.260 3.129 -2.398 256 1HG1 ILE 35 1HG1 ILE 35 -5.093 2.563 0.313 257 2HG1 ILE 35 2HG1 ILE 35 -4.156 2.416 -1.168 258 1HG2 ILE 35 1HG2 ILE 35 -8.400 2.928 -1.195 259 2HG2 ILE 35 2HG2 ILE 35 -7.513 2.692 0.311 260 3HG2 ILE 35 3HG2 ILE 35 -7.406 4.223 -0.553 261 1HD1 ILE 35 1HD1 ILE 35 -5.525 4.991 -0.492 262 2HD1 ILE 35 2HD1 ILE 35 -3.966 4.587 0.173 263 3HD1 ILE 35 3HD1 ILE 35 -4.168 4.670 -1.554 264 H VAL 36 H VAL 36 -8.591 -0.159 -1.272 265 HA VAL 36 HA VAL 36 -9.408 -0.316 -4.023 266 HB VAL 36 HB VAL 36 -9.800 -2.127 -2.366 267 1HG1 VAL 36 1HG1 VAL 36 -10.497 -0.648 -0.482 268 2HG1 VAL 36 2HG1 VAL 36 -12.030 -0.379 -1.314 269 3HG1 VAL 36 3HG1 VAL 36 -11.585 -1.994 -0.786 270 1HG2 VAL 36 1HG2 VAL 36 -12.232 -1.030 -3.781 271 2HG2 VAL 36 2HG2 VAL 36 -11.007 -2.103 -4.454 272 3HG2 VAL 36 3HG2 VAL 36 -12.064 -2.675 -3.171 273 H LEU 37 H LEU 37 -10.797 0.900 -5.095 274 HA LEU 37 HA LEU 37 -12.743 2.590 -3.767 275 1HB LEU 37 1HB LEU 37 -11.768 4.584 -5.162 276 2HB LEU 37 2HB LEU 37 -11.170 4.209 -3.568 277 HG LEU 37 HG LEU 37 -9.387 2.768 -4.952 278 1HD1 LEU 37 1HD1 LEU 37 -10.263 4.900 -6.890 279 2HD1 LEU 37 2HD1 LEU 37 -8.767 3.974 -7.011 280 3HD1 LEU 37 3HD1 LEU 37 -10.316 3.161 -7.119 281 1HD2 LEU 37 1HD2 LEU 37 -9.459 5.547 -4.002 282 2HD2 LEU 37 2HD2 LEU 37 -8.321 4.241 -3.682 283 3HD2 LEU 37 3HD2 LEU 37 -8.199 5.180 -5.170 284 H LYS 38 H LYS 38 -14.327 3.407 -5.231 285 HA LYS 38 HA LYS 38 -14.479 1.837 -7.685 286 1HB LYS 38 1HB LYS 38 -16.772 2.558 -7.813 287 2HB LYS 38 2HB LYS 38 -16.524 3.711 -6.502 288 1HG LYS 38 1HG LYS 38 -16.130 0.767 -6.130 289 2HG LYS 38 2HG LYS 38 -16.269 2.009 -4.905 290 1HD LYS 38 1HD LYS 38 -18.599 2.061 -6.607 291 2HD LYS 38 2HD LYS 38 -18.302 0.408 -6.074 292 1HE LYS 38 1HE LYS 38 -17.953 2.107 -3.807 293 2HE LYS 38 2HE LYS 38 -19.425 2.601 -4.634 294 1HZ LYS 38 1HZ LYS 38 -20.195 0.302 -4.545 295 2HZ LYS 38 2HZ LYS 38 -18.780 -0.152 -3.729 296 3HZ LYS 38 3HZ LYS 38 -19.875 0.910 -2.999 297 H GLU 39 H GLU 39 -14.959 2.725 -9.729 298 HA GLU 39 HA GLU 39 -13.348 4.773 -10.617 299 1HB GLU 39 1HB GLU 39 -14.798 4.863 -12.631 300 2HB GLU 39 2HB GLU 39 -14.350 3.229 -12.156 301 1HG GLU 39 1HG GLU 39 -16.553 2.967 -11.070 302 2HG GLU 39 2HG GLU 39 -16.994 4.573 -11.636 303 H GLY 40 H GLY 40 -13.279 6.848 -10.087 304 1HA GLY 40 1HA GLY 40 -14.364 8.990 -10.377 305 2HA GLY 40 2HA GLY 40 -15.854 8.297 -9.770 306 H SER 41 H SER 41 -13.448 6.981 -7.910 307 HA SER 41 HA SER 41 -14.156 8.545 -5.642 308 1HB SER 41 1HB SER 41 -13.571 6.225 -5.342 309 2HB SER 41 2HB SER 41 -11.990 6.483 -6.087 310 HG SER 41 HG SER 41 -11.274 7.086 -4.202 311 H ALA 42 H ALA 42 -12.062 9.159 -4.193 312 HA ALA 42 HA ALA 42 -10.779 11.332 -5.674 313 1HB ALA 42 1HB ALA 42 -9.953 11.932 -3.330 314 2HB ALA 42 2HB ALA 42 -11.059 10.681 -2.755 315 3HB ALA 42 3HB ALA 42 -11.682 12.065 -3.648 316 H MET 43 H MET 43 -9.047 10.647 -6.770 317 HA MET 43 HA MET 43 -7.066 8.994 -5.326 318 1HB MET 43 1HB MET 43 -6.463 8.267 -7.756 319 2HB MET 43 2HB MET 43 -7.771 7.496 -6.864 320 1HG MET 43 1HG MET 43 -9.283 9.235 -8.081 321 2HG MET 43 2HG MET 43 -7.904 9.415 -9.155 322 1HE MET 43 1HE MET 43 -6.782 6.619 -8.661 323 2HE MET 43 2HE MET 43 -7.191 5.950 -10.204 324 3HE MET 43 3HE MET 43 -7.880 5.278 -8.732 325 H THR 44 H THR 44 -5.520 10.358 -4.770 326 HA THR 44 HA THR 44 -4.849 12.723 -6.071 327 HB THR 44 HB THR 44 -2.531 12.298 -4.910 328 HG1 THR 44 HG1 THR 44 -3.932 10.447 -3.343 329 1HG2 THR 44 1HG2 THR 44 -4.260 13.788 -3.998 330 2HG2 THR 44 2HG2 THR 44 -4.992 12.402 -3.185 331 3HG2 THR 44 3HG2 THR 44 -3.361 12.916 -2.757 332 H LYS 45 H LYS 45 -3.200 13.280 -7.498 333 HA LYS 45 HA LYS 45 -2.583 11.210 -9.452 334 1HB LYS 45 1HB LYS 45 -2.393 14.191 -9.340 335 2HB LYS 45 2HB LYS 45 -1.385 13.343 -10.500 336 1HG LYS 45 1HG LYS 45 -4.347 12.838 -10.341 337 2HG LYS 45 2HG LYS 45 -3.681 14.202 -11.225 338 1HD LYS 45 1HD LYS 45 -3.390 12.873 -12.971 339 2HD LYS 45 2HD LYS 45 -2.122 12.041 -12.076 340 1HE LYS 45 1HE LYS 45 -3.638 10.390 -12.830 341 2HE LYS 45 2HE LYS 45 -3.918 10.570 -11.099 342 1HZ LYS 45 1HZ LYS 45 -5.555 11.831 -13.241 343 2HZ LYS 45 2HZ LYS 45 -5.981 10.450 -12.365 344 3HZ LYS 45 3HZ LYS 45 -5.845 11.935 -11.578 345 H ASP 46 H ASP 46 -0.992 12.933 -6.886 346 HA ASP 46 HA ASP 46 1.643 12.847 -7.551 347 1HB ASP 46 1HB ASP 46 0.128 12.657 -5.007 348 2HB ASP 46 2HB ASP 46 1.782 12.065 -4.921 349 H PHE 47 H PHE 47 3.258 11.378 -7.677 350 HA PHE 47 HA PHE 47 2.468 8.597 -7.969 351 1HB PHE 47 1HB PHE 47 3.872 9.416 -9.673 352 2HB PHE 47 2HB PHE 47 4.982 10.160 -8.530 353 HD1 PHE 47 HD1 PHE 47 6.806 8.953 -7.640 354 HD2 PHE 47 HD2 PHE 47 3.803 6.923 -9.877 355 HE1 PHE 47 HE1 PHE 47 8.210 6.940 -7.705 356 HE2 PHE 47 HE2 PHE 47 5.233 4.935 -9.976 357 HZ PHE 47 HZ PHE 47 7.426 4.936 -8.906 358 H ARG 48 H ARG 48 2.821 7.001 -6.539 359 HA ARG 48 HA ARG 48 4.854 7.316 -4.441 360 1HB ARG 48 1HB ARG 48 1.916 6.881 -3.951 361 2HB ARG 48 2HB ARG 48 3.125 6.471 -2.771 362 1HG ARG 48 1HG ARG 48 3.430 8.550 -2.110 363 2HG ARG 48 2HG ARG 48 3.446 9.199 -3.731 364 1HD ARG 48 1HD ARG 48 1.505 10.110 -3.193 365 2HD ARG 48 2HD ARG 48 0.830 8.535 -3.493 366 HE ARG 48 HE ARG 48 0.981 8.060 -1.121 367 1HH1 ARG 48 1HH1 ARG 48 1.232 11.448 -2.064 368 2HH1 ARG 48 2HH1 ARG 48 0.724 12.017 -0.526 369 1HH2 ARG 48 1HH2 ARG 48 0.320 8.863 0.909 370 2HH2 ARG 48 2HH2 ARG 48 0.200 10.573 1.156 371 H CYS 49 H CYS 49 6.079 5.579 -4.692 372 HA CYS 49 HA CYS 49 5.269 3.184 -5.929 373 1HB CYS 49 1HB CYS 49 7.631 3.831 -4.195 374 2HB CYS 49 2HB CYS 49 7.420 2.264 -4.968 375 H ASP 50 H ASP 50 4.676 4.285 -2.749 376 HA ASP 50 HA ASP 50 4.417 1.559 -1.729 377 1HB ASP 50 1HB ASP 50 5.579 3.206 -0.342 378 2HB ASP 50 2HB ASP 50 4.131 2.588 0.446 379 H ARG 51 H ARG 51 2.489 3.756 -3.370 380 HA ARG 51 HA ARG 51 0.068 2.616 -2.146 381 1HB ARG 51 1HB ARG 51 0.394 5.059 -1.723 382 2HB ARG 51 2HB ARG 51 0.288 5.319 -3.459 383 1HG ARG 51 1HG ARG 51 -1.997 4.295 -3.394 384 2HG ARG 51 2HG ARG 51 -1.862 4.242 -1.643 385 1HD ARG 51 1HD ARG 51 -3.048 6.215 -2.139 386 2HD ARG 51 2HD ARG 51 -1.413 6.715 -1.728 387 HE ARG 51 HE ARG 51 -1.983 6.307 -4.561 388 1HH1 ARG 51 1HH1 ARG 51 -1.768 8.617 -1.911 389 2HH1 ARG 51 2HH1 ARG 51 -1.563 9.959 -2.966 390 1HH2 ARG 51 1HH2 ARG 51 -1.719 8.116 -5.920 391 2HH2 ARG 51 2HH2 ARG 51 -1.519 9.685 -5.230 392 H VAL 52 H VAL 52 -1.525 1.895 -3.445 393 HA VAL 52 HA VAL 52 -1.189 2.139 -6.359 394 HB VAL 52 HB VAL 52 -1.660 -0.506 -4.955 395 1HG1 VAL 52 1HG1 VAL 52 -1.533 0.247 -7.868 396 2HG1 VAL 52 2HG1 VAL 52 -1.409 -1.409 -7.291 397 3HG1 VAL 52 3HG1 VAL 52 -2.875 -0.483 -7.004 398 1HG2 VAL 52 1HG2 VAL 52 0.747 0.567 -6.399 399 2HG2 VAL 52 2HG2 VAL 52 0.640 0.093 -4.716 400 3HG2 VAL 52 3HG2 VAL 52 0.540 -1.111 -5.987 401 H TRP 53 H TRP 53 -3.042 2.928 -7.126 402 HA TRP 53 HA TRP 53 -5.449 2.856 -5.551 403 1HB TRP 53 1HB TRP 53 -4.838 3.914 -8.313 404 2HB TRP 53 2HB TRP 53 -6.447 3.999 -7.613 405 HD1 TRP 53 HD1 TRP 53 -4.140 6.393 -8.386 406 HE1 TRP 53 HE1 TRP 53 -3.961 8.300 -6.661 407 HE3 TRP 53 HE3 TRP 53 -6.254 4.060 -4.385 408 HZ2 TRP 53 HZ2 TRP 53 -4.613 8.713 -3.948 409 HZ3 TRP 53 HZ3 TRP 53 -6.458 5.278 -2.278 410 HH2 TRP 53 HH2 TRP 53 -5.633 7.562 -2.044 411 H VAL 54 H VAL 54 -7.208 1.575 -5.777 412 HA VAL 54 HA VAL 54 -7.161 -0.393 -7.996 413 HB VAL 54 HB VAL 54 -7.931 -0.742 -5.103 414 1HG1 VAL 54 1HG1 VAL 54 -8.708 -2.372 -7.486 415 2HG1 VAL 54 2HG1 VAL 54 -8.438 -3.169 -5.937 416 3HG1 VAL 54 3HG1 VAL 54 -9.663 -1.922 -6.083 417 1HG2 VAL 54 1HG2 VAL 54 -5.950 -2.157 -6.868 418 2HG2 VAL 54 2HG2 VAL 54 -5.583 -1.027 -5.565 419 3HG2 VAL 54 3HG2 VAL 54 -6.313 -2.587 -5.195 420 H ILE 55 H ILE 55 -8.458 0.891 -9.311 421 HA ILE 55 HA ILE 55 -11.008 1.844 -8.366 422 HB ILE 55 HB ILE 55 -9.927 1.781 -11.166 423 1HG1 ILE 55 1HG1 ILE 55 -10.111 4.345 -9.676 424 2HG1 ILE 55 2HG1 ILE 55 -8.901 3.231 -9.073 425 1HG2 ILE 55 1HG2 ILE 55 -12.285 3.155 -9.944 426 2HG2 ILE 55 2HG2 ILE 55 -11.630 3.611 -11.514 427 3HG2 ILE 55 3HG2 ILE 55 -12.295 1.998 -11.267 428 1HD1 ILE 55 1HD1 ILE 55 -8.683 3.362 -11.900 429 2HD1 ILE 55 2HD1 ILE 55 -8.719 4.964 -11.248 430 3HD1 ILE 55 3HD1 ILE 55 -7.520 3.807 -10.667 431 H VAL 56 H VAL 56 -12.874 0.783 -8.401 432 HA VAL 56 HA VAL 56 -13.084 -1.596 -10.107 433 HB VAL 56 HB VAL 56 -14.492 -2.622 -8.382 434 1HG1 VAL 56 1HG1 VAL 56 -11.718 -1.813 -7.541 435 2HG1 VAL 56 2HG1 VAL 56 -12.673 -3.022 -6.686 436 3HG1 VAL 56 3HG1 VAL 56 -12.214 -3.288 -8.360 437 1HG2 VAL 56 1HG2 VAL 56 -13.798 -0.161 -6.788 438 2HG2 VAL 56 2HG2 VAL 56 -15.392 -0.733 -7.268 439 3HG2 VAL 56 3HG2 VAL 56 -14.458 -1.631 -6.083 440 H ASN 57 H ASN 57 -15.330 -2.285 -10.522 441 HA ASN 57 HA ASN 57 -16.890 0.044 -11.351 442 1HB ASN 57 1HB ASN 57 -16.498 -1.780 -12.943 443 2HB ASN 57 2HB ASN 57 -18.203 -1.556 -12.649 444 2HD2 ASN 57 2HD2 ASN 57 -17.260 -3.879 -13.751 445 1HD2 ASN 57 1HD2 ASN 57 -17.473 -5.157 -12.613 446 H ASP 58 H ASP 58 -19.440 -0.743 -11.324 447 HA ASP 58 HA ASP 58 -20.290 -0.214 -8.725 448 1HB ASP 58 1HB ASP 58 -21.788 -1.483 -11.027 449 2HB ASP 58 2HB ASP 58 -22.550 -0.864 -9.563 450 H HIS 59 H HIS 59 -19.399 -3.250 -10.158 451 HA HIS 59 HA HIS 59 -20.758 -4.774 -8.069 452 1HB HIS 59 1HB HIS 59 -19.612 -5.376 -10.738 453 2HB HIS 59 2HB HIS 59 -19.442 -6.647 -9.533 454 HD1 HIS 59 HD1 HIS 59 -21.143 -8.260 -10.412 455 HD2 HIS 59 HD2 HIS 59 -22.679 -4.438 -9.872 456 HE1 HIS 59 HE1 HIS 59 -23.627 -8.486 -10.722 457 HE2 HIS 59 HE2 HIS 59 -24.541 -6.163 -10.372 458 H GLY 60 H GLY 60 -17.739 -3.293 -8.469 459 1HA GLY 60 1HA GLY 60 -16.115 -3.301 -6.795 460 2HA GLY 60 2HA GLY 60 -16.685 -4.858 -6.228 461 H VAL 61 H VAL 61 -16.175 -4.376 -9.631 462 HA VAL 61 HA VAL 61 -13.936 -6.265 -9.548 463 HB VAL 61 HB VAL 61 -15.444 -5.256 -11.956 464 1HG1 VAL 61 1HG1 VAL 61 -13.607 -7.597 -11.568 465 2HG1 VAL 61 2HG1 VAL 61 -14.523 -7.255 -13.036 466 3HG1 VAL 61 3HG1 VAL 61 -13.273 -6.140 -12.503 467 1HG2 VAL 61 1HG2 VAL 61 -16.995 -6.399 -10.449 468 2HG2 VAL 61 2HG2 VAL 61 -16.686 -7.366 -11.887 469 3HG2 VAL 61 3HG2 VAL 61 -15.895 -7.775 -10.366 470 H VAL 62 H VAL 62 -11.906 -5.739 -10.331 471 HA VAL 62 HA VAL 62 -11.233 -2.964 -10.343 472 HB VAL 62 HB VAL 62 -9.487 -5.287 -11.176 473 1HG1 VAL 62 1HG1 VAL 62 -8.857 -2.446 -10.355 474 2HG1 VAL 62 2HG1 VAL 62 -7.658 -3.733 -10.480 475 3HG1 VAL 62 3HG1 VAL 62 -8.540 -3.217 -11.909 476 1HG2 VAL 62 1HG2 VAL 62 -10.627 -5.018 -8.710 477 2HG2 VAL 62 2HG2 VAL 62 -9.086 -5.770 -9.043 478 3HG2 VAL 62 3HG2 VAL 62 -9.147 -4.108 -8.503 479 H THR 63 H THR 63 -11.674 -1.656 -12.009 480 HA THR 63 HA THR 63 -11.780 -2.747 -14.736 481 HB THR 63 HB THR 63 -12.875 -0.700 -15.339 482 HG1 THR 63 HG1 THR 63 -11.964 0.908 -14.226 483 1HG2 THR 63 1HG2 THR 63 -14.185 -2.447 -14.014 484 2HG2 THR 63 2HG2 THR 63 -14.046 -1.326 -12.659 485 3HG2 THR 63 3HG2 THR 63 -14.857 -0.823 -14.140 486 H SER 64 H SER 64 -9.904 -0.502 -12.762 487 HA SER 64 HA SER 64 -8.302 0.228 -15.121 488 1HB SER 64 1HB SER 64 -9.214 2.001 -13.580 489 2HB SER 64 2HB SER 64 -8.110 1.397 -12.344 490 HG SER 64 HG SER 64 -6.430 2.155 -13.457 491 H VAL 65 H VAL 65 -6.117 -0.061 -15.203 492 HA VAL 65 HA VAL 65 -5.063 -2.410 -14.095 493 HB VAL 65 HB VAL 65 -3.443 -0.136 -15.208 494 1HG1 VAL 65 1HG1 VAL 65 -2.887 -2.926 -14.469 495 2HG1 VAL 65 2HG1 VAL 65 -2.256 -2.437 -16.043 496 3HG1 VAL 65 3HG1 VAL 65 -1.824 -1.538 -14.597 497 1HG2 VAL 65 1HG2 VAL 65 -5.456 -1.736 -16.531 498 2HG2 VAL 65 2HG2 VAL 65 -4.507 -0.384 -17.116 499 3HG2 VAL 65 3HG2 VAL 65 -3.878 -2.019 -17.239 500 1HB PRO 66 1HB PRO 66 -3.324 -2.810 -8.890 501 2HB PRO 66 2HB PRO 66 -4.994 -2.245 -8.919 502 1HG PRO 66 1HG PRO 66 -3.638 -4.181 -10.733 503 2HG PRO 66 2HG PRO 66 -5.251 -4.275 -10.001 504 1HD PRO 66 1HD PRO 66 -4.912 -3.576 -12.546 505 2HD PRO 66 2HD PRO 66 -6.137 -2.806 -11.544 506 H HIS 67 H HIS 67 -2.429 0.763 -10.600 507 HA HIS 67 HA HIS 67 0.185 -0.587 -10.550 508 1HB HIS 67 1HB HIS 67 1.022 1.001 -12.193 509 2HB HIS 67 2HB HIS 67 -0.364 0.136 -12.845 510 HD1 HIS 67 HD1 HIS 67 0.223 2.670 -14.237 511 HD2 HIS 67 HD2 HIS 67 -2.148 2.580 -10.830 512 HE1 HIS 67 HE1 HIS 67 -1.159 4.769 -14.308 513 HE2 HIS 67 HE2 HIS 67 -2.634 4.644 -12.271 514 H ILE 68 H ILE 68 1.897 0.578 -9.679 515 HA ILE 68 HA ILE 68 1.444 1.943 -7.344 516 HB ILE 68 HB ILE 68 3.747 1.421 -9.083 517 1HG1 ILE 68 1HG1 ILE 68 3.736 1.765 -6.084 518 2HG1 ILE 68 2HG1 ILE 68 3.047 0.345 -6.848 519 1HG2 ILE 68 1HG2 ILE 68 3.828 3.913 -7.386 520 2HG2 ILE 68 2HG2 ILE 68 5.232 3.096 -8.073 521 3HG2 ILE 68 3HG2 ILE 68 4.027 3.771 -9.131 522 1HD1 ILE 68 1HD1 ILE 68 5.584 0.639 -8.006 523 2HD1 ILE 68 2HD1 ILE 68 5.778 0.929 -6.280 524 3HD1 ILE 68 3HD1 ILE 68 5.040 -0.566 -6.839 525 H THR 69 H THR 69 0.490 3.833 -6.961 526 HA THR 69 HA THR 69 1.251 6.211 -8.417 527 HB THR 69 HB THR 69 -1.462 4.951 -8.799 528 HG1 THR 69 HG1 THR 69 -0.967 5.513 -10.979 529 1HG2 THR 69 1HG2 THR 69 -0.770 7.858 -9.150 530 2HG2 THR 69 2HG2 THR 69 -2.136 7.061 -9.927 531 3HG2 THR 69 3HG2 THR 69 -2.064 7.175 -8.181 No H/Q in entry = 531
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