NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588816 | 2rv7 | 11487 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -42.724 -16.602 1.301 2 H2 GLY 1 2H GLY 1 -42.703 -15.332 2.335 3 H3 GLY 1 3H GLY 1 -42.369 -16.839 2.881 4 HA2 GLY 1 1HA GLY 1 -40.719 -15.316 0.972 5 HA3 GLY 1 2HA GLY 1 -40.341 -15.551 2.688 6 H SER 2 H SER 2 -38.812 -16.341 0.272 7 HA SER 2 HA SER 2 -38.941 -19.274 0.148 8 HB2 SER 2 1HB SER 2 -37.187 -18.980 -1.577 9 HB3 SER 2 2HB SER 2 -38.654 -18.043 -1.898 10 HG SER 2 HG SER 2 -36.731 -16.806 -2.211 11 H SER 3 H SER 3 -37.354 -17.133 2.240 12 HA SER 3 HA SER 3 -34.822 -18.486 2.543 13 HB2 SER 3 1HB SER 3 -34.650 -17.050 4.592 14 HB3 SER 3 2HB SER 3 -34.940 -16.178 3.080 15 HG SER 3 HG SER 3 -36.283 -15.436 4.803 16 H GLY 4 H GLY 4 -34.046 -19.558 4.435 17 HA2 GLY 4 1HA GLY 4 -35.753 -21.715 5.346 18 HA3 GLY 4 2HA GLY 4 -34.078 -21.427 5.797 19 H SER 5 H SER 5 -35.711 -22.410 7.661 20 HA SER 5 HA SER 5 -37.112 -20.569 9.320 21 HB2 SER 5 1HB SER 5 -35.819 -23.218 10.067 22 HB3 SER 5 2HB SER 5 -37.070 -22.361 10.989 23 HG SER 5 HG SER 5 -37.955 -24.005 9.644 24 H SER 6 H SER 6 -36.641 -19.772 11.407 25 HA SER 6 HA SER 6 -34.133 -18.494 11.750 26 HB2 SER 6 1HB SER 6 -36.316 -18.996 13.808 27 HB3 SER 6 2HB SER 6 -35.027 -17.784 13.921 28 HG SER 6 HG SER 6 -37.000 -16.898 13.123 29 H GLY 7 H GLY 7 -32.601 -18.644 13.458 30 HA2 GLY 7 1HA GLY 7 -32.298 -20.425 15.499 31 HA3 GLY 7 2HA GLY 7 -31.747 -21.378 14.117 32 H LYS 8 H LYS 8 -30.580 -19.035 12.747 33 HA LYS 8 HA LYS 8 -28.561 -18.042 12.461 34 HB2 LYS 8 1HB LYS 8 -29.097 -17.120 15.289 35 HB3 LYS 8 2HB LYS 8 -27.887 -16.433 14.196 36 HG2 LYS 8 1HG LYS 8 -29.645 -15.839 12.566 37 HG3 LYS 8 2HG LYS 8 -30.883 -16.480 13.664 38 HD2 LYS 8 1HD LYS 8 -30.219 -14.834 15.393 39 HD3 LYS 8 2HD LYS 8 -28.964 -14.195 14.309 40 HE2 LYS 8 1HE LYS 8 -30.717 -13.600 12.643 41 HE3 LYS 8 2HE LYS 8 -31.963 -14.222 13.734 42 HZ1 LYS 8 3HZ LYS 8 -31.723 -11.813 13.941 43 HZ2 LYS 8 1HZ LYS 8 -30.147 -11.946 14.345 44 HZ3 LYS 8 2HZ LYS 8 -31.304 -12.519 15.351 45 HA PRO 9 HA PRO 9 -26.233 -21.535 14.550 46 HB2 PRO 9 1HB PRO 9 -25.270 -22.683 12.202 47 HB3 PRO 9 2HB PRO 9 -26.810 -23.078 13.000 48 HG2 PRO 9 1HG PRO 9 -26.404 -21.227 10.682 49 HG3 PRO 9 2HG PRO 9 -27.630 -22.512 10.879 50 HD2 PRO 9 1HD PRO 9 -28.214 -19.918 11.413 51 HD3 PRO 9 2HD PRO 9 -28.855 -21.233 12.435 52 H TYR 10 H TYR 10 -25.248 -19.293 11.978 53 HA TYR 10 HA TYR 10 -22.407 -19.769 12.422 54 HB2 TYR 10 1HB TYR 10 -23.851 -17.718 10.719 55 HB3 TYR 10 2HB TYR 10 -22.115 -18.015 10.723 56 HD1 TYR 10 1HD TYR 10 -25.418 -19.411 9.819 57 HD2 TYR 10 2HD TYR 10 -21.153 -20.018 9.686 58 HE1 TYR 10 1HE TYR 10 -25.735 -21.169 8.110 59 HE2 TYR 10 2HE TYR 10 -21.473 -21.830 8.001 60 HH TYR 10 HH TYR 10 -24.712 -22.732 6.759 61 H LYS 11 H LYS 11 -21.630 -19.113 14.305 62 HA LYS 11 HA LYS 11 -22.469 -16.517 15.538 63 HB2 LYS 11 1HB LYS 11 -21.743 -19.207 16.683 64 HB3 LYS 11 2HB LYS 11 -21.806 -17.740 17.674 65 HG2 LYS 11 1HG LYS 11 -24.098 -17.407 17.338 66 HG3 LYS 11 2HG LYS 11 -24.175 -18.445 15.904 67 HD2 LYS 11 1HD LYS 11 -23.792 -20.423 17.242 68 HD3 LYS 11 2HD LYS 11 -23.625 -19.430 18.717 69 HE2 LYS 11 1HE LYS 11 -25.961 -18.613 18.401 70 HE3 LYS 11 2HE LYS 11 -26.114 -19.612 16.953 71 HZ1 LYS 11 3HZ LYS 11 -27.071 -20.721 18.884 72 HZ2 LYS 11 1HZ LYS 11 -25.659 -20.654 19.699 73 HZ3 LYS 11 2HZ LYS 11 -25.788 -21.582 18.360 74 H CYS 12 H CYS 12 -21.018 -15.176 16.554 75 HA CYS 12 HA CYS 12 -18.380 -15.116 15.395 76 HB2 CYS 12 1HB CYS 12 -19.749 -13.168 15.612 77 HB3 CYS 12 2HB CYS 12 -19.824 -13.352 17.372 78 HA PRO 13 HA PRO 13 -16.360 -17.104 18.932 79 HB2 PRO 13 1HB PRO 13 -13.763 -16.850 18.155 80 HB3 PRO 13 2HB PRO 13 -14.908 -17.942 17.316 81 HG2 PRO 13 1HG PRO 13 -14.043 -15.153 16.517 82 HG3 PRO 13 2HG PRO 13 -14.170 -16.613 15.489 83 HD2 PRO 13 1HD PRO 13 -16.146 -14.675 15.693 84 HD3 PRO 13 2HD PRO 13 -16.490 -16.383 15.304 85 H GLN 14 H GLN 14 -16.282 -13.759 18.105 86 HA GLN 14 HA GLN 14 -14.610 -13.053 20.485 87 HB2 GLN 14 1HB GLN 14 -15.189 -11.359 18.036 88 HB3 GLN 14 2HB GLN 14 -14.107 -10.993 19.373 89 HG2 GLN 14 1HG GLN 14 -13.062 -13.384 18.636 90 HG3 GLN 14 2HG GLN 14 -13.804 -12.938 17.103 91 HE21 GLN 14 1HE2 GLN 14 -11.609 -12.896 16.171 92 HE22 GLN 14 2HE2 GLN 14 -10.562 -11.525 16.509 93 H CYS 15 H CYS 15 -17.834 -12.552 19.061 94 HA CYS 15 HA CYS 15 -18.614 -11.270 21.621 95 HB2 CYS 15 1HB CYS 15 -19.628 -9.363 20.612 96 HB3 CYS 15 2HB CYS 15 -17.947 -9.433 20.104 97 H SER 16 H SER 16 -21.121 -10.695 21.395 98 HA SER 16 HA SER 16 -22.443 -13.243 21.398 99 HB2 SER 16 1HB SER 16 -23.648 -10.462 21.622 100 HB3 SER 16 2HB SER 16 -24.404 -11.988 22.120 101 HG SER 16 HG SER 16 -23.436 -10.886 23.888 102 H TYR 17 H TYR 17 -21.701 -11.519 18.692 103 HA TYR 17 HA TYR 17 -24.110 -11.321 17.219 104 HB2 TYR 17 1HB TYR 17 -22.083 -10.165 16.615 105 HB3 TYR 17 2HB TYR 17 -21.222 -11.673 16.371 106 HD1 TYR 17 1HD TYR 17 -23.889 -9.420 15.085 107 HD2 TYR 17 2HD TYR 17 -21.495 -12.913 14.239 108 HE1 TYR 17 1HE TYR 17 -24.625 -9.355 12.708 109 HE2 TYR 17 2HE TYR 17 -22.213 -12.820 11.854 110 HH TYR 17 HH TYR 17 -24.455 -10.298 10.647 111 H ALA 18 H ALA 18 -25.130 -12.549 15.749 112 HA ALA 18 HA ALA 18 -24.130 -15.151 14.909 113 HB1 ALA 18 1HB ALA 18 -25.405 -15.589 17.060 114 HB2 ALA 18 2HB ALA 18 -26.861 -14.978 16.251 115 HB3 ALA 18 3HB ALA 18 -26.038 -16.429 15.633 116 H SER 19 H SER 19 -25.099 -15.913 12.991 117 HA SER 19 HA SER 19 -27.402 -14.485 11.826 118 HB2 SER 19 1HB SER 19 -25.253 -13.319 11.068 119 HB3 SER 19 2HB SER 19 -24.876 -14.803 10.174 120 HG SER 19 HG SER 19 -27.134 -13.070 9.914 121 H ALA 20 H ALA 20 -28.141 -15.544 9.787 122 HA ALA 20 HA ALA 20 -28.037 -18.489 10.014 123 HB1 ALA 20 1HB ALA 20 -29.849 -16.673 8.386 124 HB2 ALA 20 2HB ALA 20 -30.034 -18.426 8.610 125 HB3 ALA 20 3HB ALA 20 -30.217 -17.337 9.996 126 H ILE 21 H ILE 21 -26.147 -16.331 8.428 127 HA ILE 21 HA ILE 21 -25.712 -18.084 6.040 128 HB ILE 21 HB ILE 21 -25.821 -15.050 6.149 129 HG12 ILE 21 1HG1 ILE 21 -27.680 -17.066 4.806 130 HG13 ILE 21 2HG1 ILE 21 -28.071 -16.049 6.192 131 HG21 ILE 21 1HG2 ILE 21 -25.270 -16.864 3.760 132 HG22 ILE 21 2HG2 ILE 21 -25.425 -15.091 3.718 133 HG23 ILE 21 3HG2 ILE 21 -24.091 -15.807 4.574 134 HD11 ILE 21 3HD1 ILE 21 -27.647 -15.112 3.344 135 HD12 ILE 21 1HD1 ILE 21 -29.124 -15.075 4.313 136 HD13 ILE 21 2HD1 ILE 21 -27.768 -14.017 4.746 137 H LYS 22 H LYS 22 -23.635 -18.619 5.643 138 HA LYS 22 HA LYS 22 -21.534 -18.102 7.495 139 HB2 LYS 22 1HB LYS 22 -21.762 -20.062 5.969 140 HB3 LYS 22 2HB LYS 22 -21.229 -19.044 4.625 141 HG2 LYS 22 1HG LYS 22 -19.076 -18.644 5.699 142 HG3 LYS 22 2HG LYS 22 -19.632 -19.400 7.209 143 HD2 LYS 22 1HD LYS 22 -19.869 -21.556 6.078 144 HD3 LYS 22 2HD LYS 22 -19.339 -20.833 4.541 145 HE2 LYS 22 1HE LYS 22 -17.160 -20.230 5.591 146 HE3 LYS 22 2HE LYS 22 -17.690 -20.959 7.112 147 HZ1 LYS 22 3HZ LYS 22 -16.321 -22.498 5.824 148 HZ2 LYS 22 1HZ LYS 22 -17.339 -22.430 4.550 149 HZ3 LYS 22 2HZ LYS 22 -17.829 -23.105 5.957 150 H ALA 23 H ALA 23 -22.171 -16.591 4.324 151 HA ALA 23 HA ALA 23 -19.919 -14.889 4.215 152 HB1 ALA 23 1HB ALA 23 -22.719 -14.424 3.102 153 HB2 ALA 23 2HB ALA 23 -21.226 -13.625 2.574 154 HB3 ALA 23 3HB ALA 23 -21.428 -15.368 2.318 155 H ASN 24 H ASN 24 -23.002 -14.397 5.965 156 HA ASN 24 HA ASN 24 -22.455 -11.650 6.708 157 HB2 ASN 24 1HB ASN 24 -24.312 -13.791 7.842 158 HB3 ASN 24 2HB ASN 24 -24.233 -12.157 8.454 159 HD21 ASN 24 1HD2 ASN 24 -26.602 -12.909 7.743 160 HD22 ASN 24 2HD2 ASN 24 -27.084 -12.147 6.221 161 H LEU 25 H LEU 25 -21.759 -14.816 8.301 162 HA LEU 25 HA LEU 25 -20.491 -13.578 10.581 163 HB2 LEU 25 1HB LEU 25 -21.259 -15.879 10.653 164 HB3 LEU 25 2HB LEU 25 -20.134 -16.341 9.369 165 HG LEU 25 HG LEU 25 -18.212 -15.801 10.844 166 HD11 LEU 25 1HD1 LEU 25 -20.337 -15.271 12.971 167 HD12 LEU 25 2HD1 LEU 25 -19.186 -14.083 12.317 168 HD13 LEU 25 3HD1 LEU 25 -18.591 -15.443 13.261 169 HD21 LEU 25 3HD2 LEU 25 -18.450 -17.684 12.366 170 HD22 LEU 25 1HD2 LEU 25 -19.154 -18.085 10.790 171 HD23 LEU 25 2HD2 LEU 25 -20.210 -17.671 12.160 172 H ASN 26 H ASN 26 -19.110 -14.758 7.449 173 HA ASN 26 HA ASN 26 -16.414 -14.076 7.935 174 HB2 ASN 26 1HB ASN 26 -17.971 -13.661 5.334 175 HB3 ASN 26 2HB ASN 26 -16.227 -13.717 5.477 176 HD21 ASN 26 1HD2 ASN 26 -17.656 -15.192 3.723 177 HD22 ASN 26 2HD2 ASN 26 -17.435 -16.902 4.119 178 H VAL 27 H VAL 27 -19.006 -11.952 6.617 179 HA VAL 27 HA VAL 27 -17.306 -9.703 6.302 180 HB VAL 27 HB VAL 27 -19.749 -10.306 5.397 181 HG11 VAL 27 1HG1 VAL 27 -21.034 -9.844 7.417 182 HG12 VAL 27 2HG1 VAL 27 -20.460 -8.159 7.403 183 HG13 VAL 27 3HG1 VAL 27 -21.460 -8.792 6.079 184 HG21 VAL 27 3HG2 VAL 27 -18.170 -8.706 4.492 185 HG22 VAL 27 1HG2 VAL 27 -19.791 -7.986 4.542 186 HG23 VAL 27 2HG2 VAL 27 -18.593 -7.545 5.796 187 H HIS 28 H HIS 28 -19.343 -10.691 8.951 188 HA HIS 28 HA HIS 28 -19.094 -8.386 10.542 189 HB2 HIS 28 1HB HIS 28 -20.784 -10.060 10.902 190 HB3 HIS 28 2HB HIS 28 -19.591 -11.318 11.191 191 HD1 HIS 28 1HD HIS 28 -21.034 -8.284 13.062 192 HD2 HIS 28 2HD HIS 28 -18.419 -11.539 13.541 193 HE1 HIS 28 1HE HIS 28 -20.340 -8.262 15.503 194 H LEU 29 H LEU 29 -17.015 -11.280 10.386 195 HA LEU 29 HA LEU 29 -15.330 -10.700 12.621 196 HB2 LEU 29 1HB LEU 29 -14.816 -12.237 10.064 197 HB3 LEU 29 2HB LEU 29 -13.701 -12.239 11.419 198 HG LEU 29 HG LEU 29 -16.582 -13.144 11.712 199 HD11 LEU 29 1HD1 LEU 29 -15.748 -15.458 11.479 200 HD12 LEU 29 2HD1 LEU 29 -14.123 -14.841 11.102 201 HD13 LEU 29 3HD1 LEU 29 -15.477 -14.540 9.992 202 HD21 LEU 29 3HD2 LEU 29 -15.690 -14.422 13.601 203 HD22 LEU 29 1HD2 LEU 29 -15.498 -12.684 13.835 204 HD23 LEU 29 2HD2 LEU 29 -14.094 -13.681 13.367 205 H ARG 30 H ARG 30 -15.305 -9.364 9.390 206 HA ARG 30 HA ARG 30 -12.669 -8.306 9.251 207 HB2 ARG 30 1HB ARG 30 -15.246 -7.091 8.160 208 HB3 ARG 30 2HB ARG 30 -13.620 -6.640 7.685 209 HG2 ARG 30 1HG ARG 30 -13.212 -8.929 6.802 210 HG3 ARG 30 2HG ARG 30 -14.839 -9.400 7.305 211 HD2 ARG 30 1HD ARG 30 -14.899 -8.935 4.949 212 HD3 ARG 30 2HD ARG 30 -15.813 -7.681 5.808 213 HE ARG 30 HE ARG 30 -13.063 -6.878 5.401 214 HH11 ARG 30 2HH1 ARG 30 -16.053 -7.153 3.591 215 HH12 ARG 30 1HH1 ARG 30 -15.595 -5.898 2.473 216 HH21 ARG 30 2HH2 ARG 30 -12.554 -5.275 3.949 217 HH22 ARG 30 1HH2 ARG 30 -13.663 -4.875 2.671 218 H LYS 31 H LYS 31 -15.240 -7.288 11.263 219 HA LYS 31 HA LYS 31 -14.137 -4.630 11.887 220 HB2 LYS 31 1HB LYS 31 -16.230 -6.228 13.425 221 HB3 LYS 31 2HB LYS 31 -15.940 -4.484 13.517 222 HG2 LYS 31 1HG LYS 31 -16.664 -4.256 11.134 223 HG3 LYS 31 2HG LYS 31 -16.958 -6.000 11.075 224 HD2 LYS 31 1HD LYS 31 -18.528 -5.564 13.150 225 HD3 LYS 31 2HD LYS 31 -18.494 -3.877 12.569 226 HE2 LYS 31 1HE LYS 31 -19.030 -4.832 10.249 227 HE3 LYS 31 2HE LYS 31 -19.247 -6.398 11.035 228 HZ1 LYS 31 3HZ LYS 31 -21.043 -5.342 12.386 229 HZ2 LYS 31 1HZ LYS 31 -21.386 -5.227 10.790 230 HZ3 LYS 31 2HZ LYS 31 -20.831 -3.929 11.602 231 H HIS 32 H HIS 32 -13.845 -7.839 13.142 232 HA HIS 32 HA HIS 32 -12.448 -7.012 15.608 233 HB2 HIS 32 1HB HIS 32 -13.053 -9.772 14.486 234 HB3 HIS 32 2HB HIS 32 -12.388 -9.413 16.071 235 HD1 HIS 32 1HD HIS 32 -14.285 -7.360 17.312 236 HD2 HIS 32 2HD HIS 32 -15.477 -10.572 14.882 237 HE1 HIS 32 1HE HIS 32 -16.702 -7.816 17.923 238 H THR 33 H THR 33 -11.429 -7.680 12.371 239 HA THR 33 HA THR 33 -8.874 -8.881 12.975 240 HB THR 33 HB THR 33 -8.304 -8.274 10.596 241 HG1 THR 33 1HG THR 33 -9.626 -6.482 10.298 242 HG21 THR 33 3HG2 THR 33 -9.361 -10.407 11.219 243 HG22 THR 33 1HG2 THR 33 -9.870 -9.840 9.613 244 HG23 THR 33 2HG2 THR 33 -10.966 -9.664 11.002 245 H GLY 34 H GLY 34 -6.780 -8.007 12.383 246 HA2 GLY 34 1HA GLY 34 -6.208 -5.477 13.639 247 HA3 GLY 34 2HA GLY 34 -5.057 -6.523 12.809 248 H GLU 35 H GLU 35 -4.366 -4.157 12.311 249 HA GLU 35 HA GLU 35 -5.818 -2.734 10.226 250 HB2 GLU 35 1HB GLU 35 -3.087 -2.393 11.489 251 HB3 GLU 35 2HB GLU 35 -3.611 -1.418 10.106 252 HG2 GLU 35 1HG GLU 35 -5.525 -0.565 11.318 253 HG3 GLU 35 2HG GLU 35 -5.206 -1.632 12.679 254 H LYS 36 H LYS 36 -5.719 -2.707 8.181 255 HA LYS 36 HA LYS 36 -3.931 -4.592 6.735 256 HB2 LYS 36 1HB LYS 36 -6.365 -2.994 5.861 257 HB3 LYS 36 2HB LYS 36 -5.220 -3.709 4.726 258 HG2 LYS 36 1HG LYS 36 -5.596 -5.893 6.216 259 HG3 LYS 36 2HG LYS 36 -7.126 -5.110 6.609 260 HD2 LYS 36 1HD LYS 36 -7.806 -5.081 4.285 261 HD3 LYS 36 2HD LYS 36 -6.163 -5.427 3.733 262 HE2 LYS 36 1HE LYS 36 -6.337 -7.655 4.993 263 HE3 LYS 36 2HE LYS 36 -8.075 -7.340 5.100 264 HZ1 LYS 36 3HZ LYS 36 -7.495 -8.649 3.115 265 HZ2 LYS 36 1HZ LYS 36 -6.487 -7.477 2.576 266 HZ3 LYS 36 2HZ LYS 36 -8.101 -7.206 2.648 267 H PHE 37 H PHE 37 -2.075 -4.059 6.348 268 HA PHE 37 HA PHE 37 -1.345 -1.333 5.394 269 HB2 PHE 37 1HB PHE 37 0.524 -3.662 5.846 270 HB3 PHE 37 2HB PHE 37 0.894 -1.933 5.780 271 HD1 PHE 37 2HD PHE 37 -0.243 -0.456 7.677 272 HD2 PHE 37 1HD PHE 37 0.296 -4.727 7.885 273 HE1 PHE 37 2HE PHE 37 -0.528 -0.376 10.136 274 HE2 PHE 37 1HE PHE 37 0.074 -4.642 10.334 275 HZ PHE 37 HZ PHE 37 -0.426 -2.475 11.477 276 H ALA 38 H ALA 38 -1.480 -0.991 3.279 277 HA ALA 38 HA ALA 38 -1.539 -3.222 1.347 278 HB1 ALA 38 1HB ALA 38 -2.056 -0.252 0.954 279 HB2 ALA 38 2HB ALA 38 -2.381 -1.550 -0.214 280 HB3 ALA 38 3HB ALA 38 -3.302 -1.473 1.303 281 H CYS 39 H CYS 39 -0.218 -3.470 -0.467 282 HA CYS 39 HA CYS 39 2.489 -2.475 -0.332 283 HB2 CYS 39 1HB CYS 39 1.864 -4.640 -1.128 284 HB3 CYS 39 2HB CYS 39 0.853 -3.960 -2.398 285 H ASP 40 H ASP 40 3.513 -0.987 -1.499 286 HA ASP 40 HA ASP 40 1.931 1.237 -2.611 287 HB2 ASP 40 1HB ASP 40 3.889 1.536 -1.050 288 HB3 ASP 40 2HB ASP 40 4.943 0.955 -2.337 289 H TYR 41 H TYR 41 3.071 -1.660 -3.837 290 HA TYR 41 HA TYR 41 3.605 -0.553 -6.584 291 HB2 TYR 41 1HB TYR 41 4.780 -2.976 -5.190 292 HB3 TYR 41 2HB TYR 41 5.073 -2.503 -6.851 293 HD1 TYR 41 2HD TYR 41 5.543 -1.637 -3.297 294 HD2 TYR 41 1HD TYR 41 6.703 -0.748 -7.349 295 HE1 TYR 41 2HE TYR 41 7.464 -0.271 -2.450 296 HE2 TYR 41 1HE TYR 41 8.650 0.562 -6.516 297 HH TYR 41 HH TYR 41 9.792 1.312 -4.665 298 H CYS 42 H CYS 42 1.833 -2.990 -4.755 299 HA CYS 42 HA CYS 42 0.216 -3.471 -7.182 300 HB2 CYS 42 1HB CYS 42 0.128 -5.872 -6.915 301 HB3 CYS 42 2HB CYS 42 1.786 -5.332 -7.200 302 H SER 43 H SER 43 -1.702 -5.034 -6.497 303 HA SER 43 HA SER 43 -3.304 -3.614 -4.554 304 HB2 SER 43 1HB SER 43 -3.897 -6.207 -6.024 305 HB3 SER 43 2HB SER 43 -5.072 -5.160 -5.206 306 HG SER 43 HG SER 43 -5.006 -4.778 -7.470 307 H PHE 44 H PHE 44 -0.886 -5.721 -3.817 308 HA PHE 44 HA PHE 44 -2.057 -7.640 -2.115 309 HB2 PHE 44 1HB PHE 44 0.184 -7.798 -2.866 310 HB3 PHE 44 2HB PHE 44 0.659 -6.322 -2.054 311 HD1 PHE 44 2HD PHE 44 -0.529 -9.824 -1.451 312 HD2 PHE 44 1HD PHE 44 1.511 -6.394 0.173 313 HE1 PHE 44 2HE PHE 44 0.173 -11.168 0.521 314 HE2 PHE 44 1HE PHE 44 2.236 -7.749 2.130 315 HZ PHE 44 HZ PHE 44 1.554 -10.126 2.311 316 H THR 45 H THR 45 -2.338 -7.751 0.079 317 HA THR 45 HA THR 45 -1.867 -5.435 1.798 318 HB THR 45 HB THR 45 -4.017 -5.632 2.924 319 HG1 THR 45 1HG THR 45 -4.804 -7.144 0.663 320 HG21 THR 45 3HG2 THR 45 -3.681 -3.860 1.351 321 HG22 THR 45 1HG2 THR 45 -5.371 -4.396 1.297 322 HG23 THR 45 2HG2 THR 45 -4.241 -4.872 -0.002 323 H CYS 46 H CYS 46 -1.687 -5.871 3.944 324 HA CYS 46 HA CYS 46 -1.615 -8.725 4.822 325 HB2 CYS 46 1HB CYS 46 0.621 -7.894 3.849 326 HB3 CYS 46 2HB CYS 46 0.696 -6.799 5.243 327 HG CYS 46 HG CYS 46 2.137 -8.572 6.124 328 H LEU 47 H LEU 47 -1.738 -9.056 7.045 329 HA LEU 47 HA LEU 47 -2.637 -6.797 8.740 330 HB2 LEU 47 1HB LEU 47 -2.521 -9.783 9.280 331 HB3 LEU 47 2HB LEU 47 -3.184 -8.572 10.373 332 HG LEU 47 HG LEU 47 -4.297 -9.264 7.619 333 HD11 LEU 47 1HD1 LEU 47 -5.373 -9.786 10.421 334 HD12 LEU 47 2HD1 LEU 47 -4.677 -11.001 9.325 335 HD13 LEU 47 3HD1 LEU 47 -6.187 -10.182 8.890 336 HD21 LEU 47 3HD2 LEU 47 -4.731 -6.897 8.138 337 HD22 LEU 47 1HD2 LEU 47 -5.341 -7.343 9.743 338 HD23 LEU 47 2HD2 LEU 47 -6.219 -7.837 8.279 339 H SER 48 H SER 48 0.299 -8.091 7.925 340 HA SER 48 HA SER 48 1.620 -7.125 10.435 341 HB2 SER 48 1HB SER 48 2.333 -9.594 8.797 342 HB3 SER 48 2HB SER 48 3.302 -8.920 10.123 343 HG SER 48 HG SER 48 1.928 -10.634 10.818 344 H LYS 49 H LYS 49 2.553 -5.343 9.942 345 HA LYS 49 HA LYS 49 3.360 -4.448 7.396 346 HB2 LYS 49 1HB LYS 49 4.821 -2.852 8.875 347 HB3 LYS 49 2HB LYS 49 3.064 -2.698 8.781 348 HG2 LYS 49 1HG LYS 49 2.841 -3.838 10.963 349 HG3 LYS 49 2HG LYS 49 4.607 -4.035 11.047 350 HD2 LYS 49 1HD LYS 49 4.900 -1.601 11.092 351 HD3 LYS 49 2HD LYS 49 3.158 -1.353 10.830 352 HE2 LYS 49 1HE LYS 49 2.651 -2.487 12.958 353 HE3 LYS 49 2HE LYS 49 4.375 -2.778 13.237 354 HZ1 LYS 49 3HZ LYS 49 3.109 -0.093 13.055 355 HZ2 LYS 49 1HZ LYS 49 4.701 -0.361 13.313 356 HZ3 LYS 49 2HZ LYS 49 3.605 -0.809 14.434 357 H GLY 50 H GLY 50 5.258 -6.269 9.755 358 HA2 GLY 50 1HA GLY 50 7.822 -5.959 8.480 359 HA3 GLY 50 2HA GLY 50 7.329 -7.238 9.589 360 H HIS 51 H HIS 51 5.147 -8.303 7.934 361 HA HIS 51 HA HIS 51 6.627 -9.857 5.958 362 HB2 HIS 51 1HB HIS 51 4.777 -10.812 7.274 363 HB3 HIS 51 2HB HIS 51 3.659 -9.655 6.548 364 HD1 HIS 51 1HD HIS 51 2.215 -10.963 4.850 365 HD2 HIS 51 2HD HIS 51 6.267 -12.094 4.895 366 HE1 HIS 51 1HE HIS 51 2.490 -12.714 3.009 367 H LEU 52 H LEU 52 4.360 -7.081 5.835 368 HA LEU 52 HA LEU 52 4.256 -6.830 2.989 369 HB2 LEU 52 1HB LEU 52 2.704 -5.660 4.421 370 HB3 LEU 52 2HB LEU 52 4.013 -4.825 5.250 371 HG LEU 52 HG LEU 52 4.570 -3.569 3.190 372 HD11 LEU 52 1HD1 LEU 52 3.725 -5.175 1.478 373 HD12 LEU 52 2HD1 LEU 52 3.009 -3.580 1.312 374 HD13 LEU 52 3HD1 LEU 52 2.060 -4.887 2.048 375 HD21 LEU 52 3HD2 LEU 52 2.665 -2.088 3.282 376 HD22 LEU 52 1HD2 LEU 52 2.957 -2.726 4.914 377 HD23 LEU 52 2HD2 LEU 52 1.643 -3.389 3.918 378 H LYS 53 H LYS 53 6.662 -5.514 5.346 379 HA LYS 53 HA LYS 53 8.320 -4.208 3.411 380 HB2 LYS 53 1HB LYS 53 8.665 -3.759 5.709 381 HB3 LYS 53 2HB LYS 53 8.866 -5.460 6.125 382 HG2 LYS 53 1HG LYS 53 10.985 -5.604 4.979 383 HG3 LYS 53 2HG LYS 53 10.823 -3.974 4.324 384 HD2 LYS 53 1HD LYS 53 10.946 -4.650 7.301 385 HD3 LYS 53 2HD LYS 53 12.361 -4.221 6.322 386 HE2 LYS 53 1HE LYS 53 11.310 -2.025 5.773 387 HE3 LYS 53 2HE LYS 53 9.935 -2.433 6.808 388 HZ1 LYS 53 3HZ LYS 53 11.478 -2.551 8.696 389 HZ2 LYS 53 1HZ LYS 53 11.561 -1.079 7.996 390 HZ3 LYS 53 2HZ LYS 53 12.747 -2.169 7.738 391 H VAL 54 H VAL 54 8.505 -7.614 4.596 392 HA VAL 54 HA VAL 54 10.620 -8.369 2.843 393 HB VAL 54 HB VAL 54 8.404 -10.057 4.071 394 HG11 VAL 54 1HG1 VAL 54 9.213 -11.337 2.181 395 HG12 VAL 54 2HG1 VAL 54 10.907 -10.934 2.560 396 HG13 VAL 54 3HG1 VAL 54 9.961 -11.997 3.631 397 HG21 VAL 54 3HG2 VAL 54 10.002 -8.967 5.645 398 HG22 VAL 54 1HG2 VAL 54 10.174 -10.726 5.625 399 HG23 VAL 54 2HG2 VAL 54 11.351 -9.707 4.761 400 H HIS 55 H HIS 55 7.086 -8.410 2.273 401 HA HIS 55 HA HIS 55 7.103 -9.563 -0.299 402 HB2 HIS 55 1HB HIS 55 5.024 -9.223 0.882 403 HB3 HIS 55 2HB HIS 55 5.294 -7.490 1.003 404 HD1 HIS 55 1HD HIS 55 4.211 -10.082 -1.609 405 HD2 HIS 55 2HD HIS 55 4.510 -5.934 -0.978 406 HE1 HIS 55 1HE HIS 55 2.994 -8.991 -3.550 407 H ILE 56 H ILE 56 7.495 -6.073 0.550 408 HA ILE 56 HA ILE 56 7.880 -5.319 -2.228 409 HB ILE 56 HB ILE 56 8.491 -3.876 0.357 410 HG12 ILE 56 1HG1 ILE 56 6.217 -3.438 -1.629 411 HG13 ILE 56 2HG1 ILE 56 6.055 -4.425 -0.183 412 HG21 ILE 56 1HG2 ILE 56 8.477 -2.841 -2.521 413 HG22 ILE 56 2HG2 ILE 56 8.703 -1.839 -1.066 414 HG23 ILE 56 3HG2 ILE 56 9.918 -3.035 -1.504 415 HD11 ILE 56 3HD1 ILE 56 6.631 -1.449 -0.204 416 HD12 ILE 56 1HD1 ILE 56 5.133 -2.269 0.269 417 HD13 ILE 56 2HD1 ILE 56 6.596 -2.489 1.246 418 H GLU 57 H GLU 57 10.168 -6.057 0.412 419 HA GLU 57 HA GLU 57 12.583 -5.443 -0.982 420 HB2 GLU 57 1HB GLU 57 11.897 -7.339 1.289 421 HB3 GLU 57 2HB GLU 57 13.549 -7.106 0.753 422 HG2 GLU 57 1HG GLU 57 11.843 -4.728 1.581 423 HG3 GLU 57 2HG GLU 57 12.667 -5.748 2.750 424 H ARG 58 H ARG 58 10.519 -8.186 -1.253 425 HA ARG 58 HA ARG 58 12.569 -9.670 -2.875 426 HB2 ARG 58 1HB ARG 58 11.619 -11.673 -2.344 427 HB3 ARG 58 2HB ARG 58 11.439 -10.733 -0.877 428 HG2 ARG 58 1HG ARG 58 9.047 -10.258 -1.574 429 HG3 ARG 58 2HG ARG 58 9.272 -11.433 -2.879 430 HD2 ARG 58 1HD ARG 58 9.588 -12.016 0.090 431 HD3 ARG 58 2HD ARG 58 8.152 -12.362 -0.861 432 HE ARG 58 HE ARG 58 9.322 -14.033 -2.110 433 HH11 ARG 58 2HH1 ARG 58 11.266 -12.902 0.586 434 HH12 ARG 58 1HH1 ARG 58 12.288 -14.312 0.544 435 HH21 ARG 58 2HH2 ARG 58 10.666 -15.787 -2.099 436 HH22 ARG 58 1HH2 ARG 58 11.953 -15.893 -0.935 437 H VAL 59 H VAL 59 9.199 -8.510 -3.163 438 HA VAL 59 HA VAL 59 9.117 -9.588 -5.870 439 HB VAL 59 HB VAL 59 6.950 -8.008 -4.441 440 HG11 VAL 59 1HG1 VAL 59 6.834 -9.822 -6.888 441 HG12 VAL 59 2HG1 VAL 59 5.441 -9.066 -6.084 442 HG13 VAL 59 3HG1 VAL 59 6.636 -8.056 -6.892 443 HG21 VAL 59 3HG2 VAL 59 5.875 -10.249 -4.119 444 HG22 VAL 59 1HG2 VAL 59 7.374 -11.021 -4.684 445 HG23 VAL 59 2HG2 VAL 59 7.348 -10.060 -3.186 446 H HIS 60 H HIS 60 9.100 -6.345 -4.346 447 HA HIS 60 HA HIS 60 9.185 -5.075 -7.025 448 HB2 HIS 60 1HB HIS 60 8.247 -3.877 -4.434 449 HB3 HIS 60 2HB HIS 60 8.043 -3.229 -6.055 450 HD1 HIS 60 1HD HIS 60 6.390 -4.953 -7.697 451 HD2 HIS 60 2HD HIS 60 6.241 -5.163 -3.505 452 HE1 HIS 60 1HE HIS 60 4.139 -5.994 -7.138 453 H LYS 61 H LYS 61 11.466 -5.952 -5.207 454 HA LYS 61 HA LYS 61 13.051 -3.468 -4.948 455 HB2 LYS 61 1HB LYS 61 13.133 -5.099 -3.213 456 HB3 LYS 61 2HB LYS 61 13.565 -6.388 -4.315 457 HG2 LYS 61 1HG LYS 61 15.353 -3.958 -3.868 458 HG3 LYS 61 2HG LYS 61 15.348 -5.310 -2.753 459 HD2 LYS 61 1HD LYS 61 16.220 -5.356 -5.654 460 HD3 LYS 61 2HD LYS 61 17.206 -5.589 -4.227 461 HE2 LYS 61 1HE LYS 61 15.086 -7.476 -5.335 462 HE3 LYS 61 2HE LYS 61 16.831 -7.699 -5.372 463 HZ1 LYS 61 3HZ LYS 61 16.778 -7.779 -2.901 464 HZ2 LYS 61 1HZ LYS 61 15.912 -8.985 -3.574 465 HZ3 LYS 61 2HZ LYS 61 15.135 -7.710 -2.919 466 H LYS 62 H LYS 62 14.546 -2.786 -6.377 467 HA LYS 62 HA LYS 62 15.290 -2.332 -8.479 468 HB2 LYS 62 1HB LYS 62 16.153 -5.239 -8.266 469 HB3 LYS 62 2HB LYS 62 16.634 -4.210 -9.607 470 HG2 LYS 62 1HG LYS 62 17.172 -3.405 -6.731 471 HG3 LYS 62 2HG LYS 62 18.274 -4.437 -7.644 472 HD2 LYS 62 1HD LYS 62 18.659 -2.756 -9.317 473 HD3 LYS 62 2HD LYS 62 17.399 -1.707 -8.682 474 HE2 LYS 62 1HE LYS 62 19.959 -2.460 -7.200 475 HE3 LYS 62 2HE LYS 62 19.701 -0.968 -8.111 476 HZ1 LYS 62 3HZ LYS 62 18.256 -1.783 -5.656 477 HZ2 LYS 62 1HZ LYS 62 17.762 -0.541 -6.597 478 HZ3 LYS 62 2HZ LYS 62 19.226 -0.484 -5.846 479 H ILE 63 H ILE 63 12.752 -2.393 -8.482 480 HA ILE 63 HA ILE 63 11.613 -4.080 -10.570 481 HB ILE 63 HB ILE 63 10.351 -3.464 -8.576 482 HG12 ILE 63 1HG1 ILE 63 9.019 -2.458 -11.113 483 HG13 ILE 63 2HG1 ILE 63 9.270 -4.161 -10.712 484 HG21 ILE 63 1HG2 ILE 63 10.087 -0.660 -9.744 485 HG22 ILE 63 2HG2 ILE 63 9.416 -1.266 -8.217 486 HG23 ILE 63 3HG2 ILE 63 11.157 -1.071 -8.385 487 HD11 ILE 63 3HD1 ILE 63 7.894 -3.833 -8.642 488 HD12 ILE 63 1HD1 ILE 63 7.535 -2.177 -9.189 489 HD13 ILE 63 2HD1 ILE 63 7.006 -3.562 -10.155 490 H LYS 64 H LYS 64 11.108 -3.581 -12.644 491 HA LYS 64 HA LYS 64 12.386 -1.334 -13.939 492 HB2 LYS 64 1HB LYS 64 11.377 -2.138 -15.986 493 HB3 LYS 64 2HB LYS 64 12.128 -3.457 -15.088 494 HG2 LYS 64 1HG LYS 64 9.861 -4.134 -14.240 495 HG3 LYS 64 2HG LYS 64 9.138 -2.846 -15.223 496 HD2 LYS 64 1HD LYS 64 10.041 -3.896 -17.278 497 HD3 LYS 64 2HD LYS 64 10.775 -5.185 -16.296 498 HE2 LYS 64 1HE LYS 64 8.519 -5.815 -15.452 499 HE3 LYS 64 2HE LYS 64 7.792 -4.542 -16.440 500 HZ1 LYS 64 3HZ LYS 64 7.678 -6.702 -17.547 501 HZ2 LYS 64 1HZ LYS 64 9.299 -6.875 -17.507 502 HZ3 LYS 64 2HZ LYS 64 8.622 -5.700 -18.422 503 H GLN 65 H GLN 65 11.605 0.547 -14.680 504 HA GLN 65 HA GLN 65 8.763 1.335 -14.195 505 HB2 GLN 65 1HB GLN 65 11.257 2.790 -13.210 506 HB3 GLN 65 2HB GLN 65 9.639 3.485 -13.212 507 HG2 GLN 65 1HG GLN 65 10.385 1.000 -11.618 508 HG3 GLN 65 2HG GLN 65 10.418 2.642 -11.010 509 HE21 GLN 65 1HE2 GLN 65 8.199 0.100 -12.214 510 HE22 GLN 65 2HE2 GLN 65 6.773 0.837 -11.477 511 H HIS 66 H HIS 66 8.260 3.473 -15.254 512 HA HIS 66 HA HIS 66 10.181 4.291 -17.329 513 HB2 HIS 66 1HB HIS 66 8.545 4.491 -19.064 514 HB3 HIS 66 2HB HIS 66 8.606 2.828 -18.502 515 HD1 HIS 66 1HD HIS 66 6.348 1.884 -17.348 516 HD2 HIS 66 2HD HIS 66 6.281 5.915 -18.560 517 HE1 HIS 66 1HE HIS 66 3.913 2.631 -17.215 518 H CYS 67 H CYS 67 10.192 6.415 -17.882 519 HA CYS 67 HA CYS 67 9.347 8.314 -15.915 520 HB2 CYS 67 1HB CYS 67 11.418 8.423 -17.223 521 HB3 CYS 67 2HB CYS 67 10.483 8.588 -18.716 522 H ARG 68 H ARG 68 7.701 9.674 -15.786 523 HA ARG 68 HA ARG 68 5.438 9.363 -17.643 524 HB2 ARG 68 1HB ARG 68 4.083 10.415 -16.031 525 HB3 ARG 68 2HB ARG 68 5.137 9.295 -15.205 526 HG2 ARG 68 1HG ARG 68 5.279 11.043 -13.754 527 HG3 ARG 68 2HG ARG 68 6.658 11.422 -14.774 528 HD2 ARG 68 1HD ARG 68 5.435 13.429 -14.320 529 HD3 ARG 68 2HD ARG 68 5.215 13.085 -16.020 530 HE ARG 68 HE ARG 68 3.223 12.791 -13.807 531 HH11 ARG 68 2HH1 ARG 68 3.658 12.674 -17.309 532 HH12 ARG 68 1HH1 ARG 68 1.960 12.960 -17.584 533 HH21 ARG 68 2HH2 ARG 68 1.092 13.066 -14.270 534 HH22 ARG 68 1HH2 ARG 68 0.555 13.124 -15.922 535 H PHE 69 H PHE 69 8.106 11.244 -17.850 536 HA PHE 69 HA PHE 69 6.655 13.466 -19.263 537 HB2 PHE 69 1HB PHE 69 9.463 13.381 -18.173 538 HB3 PHE 69 2HB PHE 69 8.697 14.760 -18.930 539 HD1 PHE 69 2HD PHE 69 6.885 16.010 -17.733 540 HD2 PHE 69 1HD PHE 69 9.101 12.824 -15.852 541 HE1 PHE 69 2HE PHE 69 6.226 16.867 -15.497 542 HE2 PHE 69 1HE PHE 69 8.448 13.691 -13.616 543 HZ PHE 69 HZ PHE 69 7.027 15.724 -13.436 544 H CYS 70 H CYS 70 9.290 11.066 -19.664 545 HA CYS 70 HA CYS 70 9.316 11.653 -22.587 546 HB2 CYS 70 1HB CYS 70 11.665 11.538 -22.707 547 HB3 CYS 70 2HB CYS 70 11.183 12.778 -21.557 548 H LYS 71 H LYS 71 8.447 9.302 -20.551 549 HA LYS 71 HA LYS 71 8.219 7.066 -20.566 550 HB2 LYS 71 1HB LYS 71 8.197 7.388 -23.574 551 HB3 LYS 71 2HB LYS 71 7.506 6.056 -22.636 552 HG2 LYS 71 1HG LYS 71 6.057 7.770 -21.429 553 HG3 LYS 71 2HG LYS 71 6.585 8.965 -22.617 554 HD2 LYS 71 1HD LYS 71 5.114 6.366 -23.165 555 HD3 LYS 71 2HD LYS 71 4.393 7.970 -23.196 556 HE2 LYS 71 1HE LYS 71 6.582 6.986 -25.093 557 HE3 LYS 71 2HE LYS 71 4.858 7.009 -25.460 558 HZ1 LYS 71 3HZ LYS 71 5.937 8.971 -26.353 559 HZ2 LYS 71 1HZ LYS 71 6.494 9.423 -24.889 560 HZ3 LYS 71 2HZ LYS 71 4.886 9.432 -25.195 561 H LYS 72 H LYS 72 11.117 8.060 -20.833 562 HA LYS 72 HA LYS 72 12.656 5.866 -21.841 563 HB2 LYS 72 1HB LYS 72 13.468 8.213 -21.202 564 HB3 LYS 72 2HB LYS 72 13.332 7.730 -19.527 565 HG2 LYS 72 1HG LYS 72 14.966 5.931 -19.838 566 HG3 LYS 72 2HG LYS 72 15.028 6.228 -21.584 567 HD2 LYS 72 1HD LYS 72 16.093 8.381 -21.253 568 HD3 LYS 72 2HD LYS 72 15.826 8.298 -19.505 569 HE2 LYS 72 1HE LYS 72 17.214 6.148 -19.499 570 HE3 LYS 72 2HE LYS 72 17.620 6.488 -21.186 571 HZ1 LYS 72 3HZ LYS 72 18.580 8.628 -20.392 572 HZ2 LYS 72 1HZ LYS 72 19.336 7.339 -19.736 573 HZ3 LYS 72 2HZ LYS 72 18.275 8.188 -18.836 574 H LYS 73 H LYS 73 13.297 3.951 -20.919 575 HA LYS 73 HA LYS 73 11.864 3.014 -18.513 576 HB2 LYS 73 1HB LYS 73 13.599 1.610 -20.565 577 HB3 LYS 73 2HB LYS 73 13.000 0.817 -19.099 578 HG2 LYS 73 1HG LYS 73 10.687 1.191 -19.724 579 HG3 LYS 73 2HG LYS 73 11.160 2.210 -21.082 580 HD2 LYS 73 1HD LYS 73 10.493 0.039 -21.908 581 HD3 LYS 73 2HD LYS 73 12.221 0.276 -22.201 582 HE2 LYS 73 1HE LYS 73 12.747 -1.111 -20.200 583 HE3 LYS 73 2HE LYS 73 11.018 -1.323 -19.891 584 HZ1 LYS 73 3HZ LYS 73 12.440 -2.259 -22.330 585 HZ2 LYS 73 1HZ LYS 73 10.846 -2.464 -22.041 586 HZ3 LYS 73 2HZ LYS 73 11.949 -3.216 -21.104 587 H TYR 74 H TYR 74 12.690 2.358 -16.666 588 HA TYR 74 HA TYR 74 15.550 2.915 -16.015 589 HB2 TYR 74 1HB TYR 74 13.059 4.071 -14.763 590 HB3 TYR 74 2HB TYR 74 14.473 3.772 -13.759 591 HD1 TYR 74 1HD TYR 74 13.189 5.792 -16.603 592 HD2 TYR 74 2HD TYR 74 16.552 4.937 -14.050 593 HE1 TYR 74 1HE TYR 74 14.453 7.667 -17.652 594 HE2 TYR 74 2HE TYR 74 17.838 6.792 -15.122 595 HH TYR 74 HH TYR 74 16.412 8.880 -17.616 596 H SER 75 H SER 75 16.526 1.724 -14.482 597 HA SER 75 HA SER 75 15.571 -0.990 -14.148 598 HB2 SER 75 1HB SER 75 17.853 -1.266 -13.135 599 HB3 SER 75 2HB SER 75 17.856 -0.557 -14.758 600 HG SER 75 HG SER 75 19.235 0.601 -13.375 601 H ASP 76 H ASP 76 15.424 1.794 -12.157 602 HA ASP 76 HA ASP 76 14.190 0.321 -9.957 603 HB2 ASP 76 1HB ASP 76 16.758 0.485 -9.530 604 HB3 ASP 76 2HB ASP 76 16.500 2.214 -9.345 605 H VAL 77 H VAL 77 12.723 1.711 -8.830 606 HA VAL 77 HA VAL 77 11.877 4.152 -10.127 607 HB VAL 77 HB VAL 77 10.429 2.688 -8.686 608 HG11 VAL 77 1HG1 VAL 77 11.968 2.350 -6.756 609 HG12 VAL 77 2HG1 VAL 77 11.742 4.059 -6.308 610 HG13 VAL 77 3HG1 VAL 77 10.366 2.946 -6.292 611 HG21 VAL 77 3HG2 VAL 77 9.770 4.975 -9.346 612 HG22 VAL 77 1HG2 VAL 77 9.122 4.521 -7.762 613 HG23 VAL 77 2HG2 VAL 77 10.516 5.615 -7.864 614 H LYS 78 H LYS 78 14.163 3.523 -7.439 615 HA LYS 78 HA LYS 78 14.508 6.289 -6.687 616 HB2 LYS 78 1HB LYS 78 16.453 3.949 -6.498 617 HB3 LYS 78 2HB LYS 78 16.641 5.494 -5.675 618 HG2 LYS 78 1HG LYS 78 14.385 3.494 -5.194 619 HG3 LYS 78 2HG LYS 78 15.799 3.751 -4.173 620 HD2 LYS 78 1HD LYS 78 15.054 6.110 -3.769 621 HD3 LYS 78 2HD LYS 78 13.580 5.778 -4.711 622 HE2 LYS 78 1HE LYS 78 12.989 3.945 -3.154 623 HE3 LYS 78 2HE LYS 78 14.456 4.257 -2.217 624 HZ1 LYS 78 3HZ LYS 78 12.529 5.344 -1.222 625 HZ2 LYS 78 1HZ LYS 78 12.227 6.193 -2.582 626 HZ3 LYS 78 2HZ LYS 78 13.586 6.481 -1.718 627 H ASN 79 H ASN 79 15.939 4.432 -9.319 628 HA ASN 79 HA ASN 79 17.868 6.516 -10.022 629 HB2 ASN 79 1HB ASN 79 16.832 4.078 -11.555 630 HB3 ASN 79 2HB ASN 79 18.129 5.130 -12.110 631 HD21 ASN 79 1HD2 ASN 79 18.517 2.338 -11.776 632 HD22 ASN 79 2HD2 ASN 79 19.662 2.165 -10.461 633 H LEU 80 H LEU 80 14.562 5.668 -11.022 634 HA LEU 80 HA LEU 80 14.318 7.557 -13.134 635 HB2 LEU 80 1HB LEU 80 12.743 5.687 -12.709 636 HB3 LEU 80 2HB LEU 80 12.267 6.464 -11.190 637 HG LEU 80 HG LEU 80 11.274 8.337 -12.352 638 HD11 LEU 80 1HD1 LEU 80 11.830 6.860 -14.948 639 HD12 LEU 80 2HD1 LEU 80 12.765 8.272 -14.408 640 HD13 LEU 80 3HD1 LEU 80 11.054 8.451 -14.726 641 HD21 LEU 80 3HD2 LEU 80 10.330 5.675 -13.477 642 HD22 LEU 80 1HD2 LEU 80 9.373 7.164 -13.352 643 HD23 LEU 80 2HD2 LEU 80 9.907 6.331 -11.880 644 H ILE 81 H ILE 81 13.752 7.938 -9.588 645 HA ILE 81 HA ILE 81 12.698 10.568 -9.695 646 HB ILE 81 HB ILE 81 14.510 9.565 -7.483 647 HG12 ILE 81 1HG1 ILE 81 13.025 7.824 -7.654 648 HG13 ILE 81 2HG1 ILE 81 12.488 8.770 -6.335 649 HG21 ILE 81 1HG2 ILE 81 13.057 11.032 -6.076 650 HG22 ILE 81 2HG2 ILE 81 13.948 11.931 -7.306 651 HG23 ILE 81 3HG2 ILE 81 12.224 11.577 -7.549 652 HD11 ILE 81 3HD1 ILE 81 11.191 8.707 -9.090 653 HD12 ILE 81 1HD1 ILE 81 10.544 8.038 -7.582 654 HD13 ILE 81 2HD1 ILE 81 10.692 9.794 -7.771 655 H LYS 82 H LYS 82 16.108 9.537 -9.360 656 HA LYS 82 HA LYS 82 17.268 12.132 -9.308 657 HB2 LYS 82 1HB LYS 82 18.402 9.983 -8.735 658 HB3 LYS 82 2HB LYS 82 18.460 9.559 -10.453 659 HG2 LYS 82 1HG LYS 82 19.844 11.569 -10.905 660 HG3 LYS 82 2HG LYS 82 19.778 12.015 -9.196 661 HD2 LYS 82 1HD LYS 82 21.008 9.451 -10.308 662 HD3 LYS 82 2HD LYS 82 21.906 10.916 -9.883 663 HE2 LYS 82 1HE LYS 82 21.094 10.719 -7.527 664 HE3 LYS 82 2HE LYS 82 20.270 9.213 -7.949 665 HZ1 LYS 82 3HZ LYS 82 23.203 9.658 -8.132 666 HZ2 LYS 82 1HZ LYS 82 22.444 8.266 -8.527 667 HZ3 LYS 82 2HZ LYS 82 22.452 8.783 -6.980 668 H HIS 83 H HIS 83 16.475 10.098 -12.143 669 HA HIS 83 HA HIS 83 17.319 11.959 -14.172 670 HB2 HIS 83 1HB HIS 83 16.892 9.725 -14.803 671 HB3 HIS 83 2HB HIS 83 15.311 9.691 -14.048 672 HD1 HIS 83 1HD HIS 83 16.973 11.332 -17.133 673 HD2 HIS 83 2HD HIS 83 13.234 10.345 -15.480 674 HE1 HIS 83 1HE HIS 83 15.282 11.715 -18.986 675 H ILE 84 H ILE 84 14.099 11.650 -12.564 676 HA ILE 84 HA ILE 84 12.921 13.822 -14.030 677 HB ILE 84 HB ILE 84 12.301 12.517 -11.374 678 HG12 ILE 84 1HG1 ILE 84 10.736 12.475 -13.991 679 HG13 ILE 84 2HG1 ILE 84 12.008 11.312 -13.636 680 HG21 ILE 84 1HG2 ILE 84 10.674 14.687 -12.780 681 HG22 ILE 84 2HG2 ILE 84 10.107 13.716 -11.407 682 HG23 ILE 84 3HG2 ILE 84 11.450 14.825 -11.188 683 HD11 ILE 84 3HD1 ILE 84 9.921 10.301 -13.077 684 HD12 ILE 84 1HD1 ILE 84 10.817 10.628 -11.569 685 HD13 ILE 84 2HD1 ILE 84 9.450 11.665 -12.046 686 H ARG 85 H ARG 85 14.614 13.796 -10.892 687 HA ARG 85 HA ARG 85 14.506 16.620 -10.387 688 HB2 ARG 85 1HB ARG 85 16.487 14.469 -9.523 689 HB3 ARG 85 2HB ARG 85 16.544 16.137 -8.943 690 HG2 ARG 85 1HG ARG 85 14.253 15.947 -8.064 691 HG3 ARG 85 2HG ARG 85 14.147 14.281 -8.622 692 HD2 ARG 85 1HD ARG 85 14.653 14.240 -6.263 693 HD3 ARG 85 2HD ARG 85 16.044 13.648 -7.161 694 HE ARG 85 HE ARG 85 17.308 15.457 -6.446 695 HH11 ARG 85 2HH1 ARG 85 13.979 16.172 -5.598 696 HH12 ARG 85 1HH1 ARG 85 14.431 17.563 -4.652 697 HH21 ARG 85 2HH2 ARG 85 17.802 17.241 -5.229 698 HH22 ARG 85 1HH2 ARG 85 16.536 18.143 -4.450 699 H ASP 86 H ASP 86 16.569 14.908 -12.598 700 HA ASP 86 HA ASP 86 18.362 17.260 -12.947 701 HB2 ASP 86 1HB ASP 86 18.427 14.418 -14.010 702 HB3 ASP 86 2HB ASP 86 19.514 15.680 -14.572 703 H ALA 87 H ALA 87 16.086 15.342 -14.948 704 HA ALA 87 HA ALA 87 16.503 17.190 -17.227 705 HB1 ALA 87 1HB ALA 87 15.152 14.468 -17.046 706 HB2 ALA 87 2HB ALA 87 15.533 15.363 -18.530 707 HB3 ALA 87 3HB ALA 87 16.848 14.758 -17.503 708 H HIS 88 H HIS 88 13.953 16.319 -14.950 709 HA HIS 88 HA HIS 88 11.986 18.019 -16.424 710 HB2 HIS 88 1HB HIS 88 11.406 15.493 -14.858 711 HB3 HIS 88 2HB HIS 88 10.296 16.424 -15.845 712 HD1 HIS 88 1HD HIS 88 11.519 16.511 -18.643 713 HD2 HIS 88 2HD HIS 88 11.942 13.290 -15.983 714 HE1 HIS 88 1HE HIS 88 12.005 14.474 -20.092 715 H ASP 89 H ASP 89 13.779 18.785 -14.218 716 HA ASP 89 HA ASP 89 12.738 18.559 -11.736 717 HB2 ASP 89 1HB ASP 89 14.339 20.051 -11.005 718 HB3 ASP 89 2HB ASP 89 15.011 19.426 -12.501 719 HA PRO 90 HA PRO 90 9.234 21.154 -11.432 720 HB2 PRO 90 1HB PRO 90 8.758 21.182 -8.747 721 HB3 PRO 90 2HB PRO 90 8.746 19.672 -9.706 722 HG2 PRO 90 1HG PRO 90 11.044 20.823 -8.084 723 HG3 PRO 90 2HG PRO 90 10.366 19.162 -8.006 724 HD2 PRO 90 1HD PRO 90 12.554 19.756 -9.525 725 HD3 PRO 90 2HD PRO 90 11.340 18.572 -10.078 726 H GLN 91 H GLN 91 12.046 22.601 -11.017 727 HA GLN 91 HA GLN 91 12.892 24.624 -10.510 728 HB2 GLN 91 1HB GLN 91 10.139 25.642 -11.283 729 HB3 GLN 91 2HB GLN 91 11.630 26.586 -11.223 730 HG2 GLN 91 1HG GLN 91 12.637 25.118 -12.965 731 HG3 GLN 91 2HG GLN 91 11.115 24.225 -13.083 732 HE21 GLN 91 1HE2 GLN 91 9.136 25.499 -13.774 733 HE22 GLN 91 2HE2 GLN 91 9.403 26.877 -14.834 734 H ASP 92 H ASP 92 12.071 23.225 -8.247 735 HA ASP 92 HA ASP 92 11.680 25.388 -6.245 736 HB2 ASP 92 1HB ASP 92 9.461 24.412 -6.666 737 HB3 ASP 92 2HB ASP 92 10.089 22.797 -6.358 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -5.790 -18.393 -15.855 2 H2 GLY 1 2H GLY 1 -4.498 -18.873 -16.738 3 H3 GLY 1 3H GLY 1 -4.294 -18.399 -15.182 4 HA2 GLY 1 1HA GLY 1 -4.158 -20.791 -15.318 5 HA3 GLY 1 2HA GLY 1 -5.565 -20.274 -14.374 6 H SER 2 H SER 2 -6.242 -22.530 -14.945 7 HA SER 2 HA SER 2 -6.931 -23.298 -17.604 8 HB2 SER 2 1HB SER 2 -8.082 -24.285 -14.968 9 HB3 SER 2 2HB SER 2 -8.184 -25.109 -16.536 10 HG SER 2 HG SER 2 -6.456 -25.908 -15.241 11 H SER 3 H SER 3 -8.922 -23.480 -18.664 12 HA SER 3 HA SER 3 -10.813 -21.315 -18.214 13 HB2 SER 3 1HB SER 3 -10.090 -22.112 -20.465 14 HB3 SER 3 2HB SER 3 -10.998 -23.612 -20.187 15 HG SER 3 HG SER 3 -12.213 -22.001 -21.329 16 H GLY 4 H GLY 4 -12.990 -21.432 -17.695 17 HA2 GLY 4 1HA GLY 4 -14.714 -23.524 -17.277 18 HA3 GLY 4 2HA GLY 4 -13.787 -23.484 -15.776 19 H SER 5 H SER 5 -16.282 -23.122 -15.282 20 HA SER 5 HA SER 5 -17.152 -20.324 -15.339 21 HB2 SER 5 1HB SER 5 -19.041 -21.152 -13.977 22 HB3 SER 5 2HB SER 5 -18.833 -22.028 -15.501 23 HG SER 5 HG SER 5 -19.199 -23.452 -13.739 24 H SER 6 H SER 6 -17.489 -19.001 -13.482 25 HA SER 6 HA SER 6 -15.198 -18.897 -11.794 26 HB2 SER 6 1HB SER 6 -17.801 -17.348 -11.542 27 HB3 SER 6 2HB SER 6 -16.234 -16.911 -10.834 28 HG SER 6 HG SER 6 -16.638 -15.806 -12.815 29 H GLY 7 H GLY 7 -18.534 -19.942 -11.072 30 HA2 GLY 7 1HA GLY 7 -19.488 -20.962 -9.230 31 HA3 GLY 7 2HA GLY 7 -17.873 -21.544 -8.827 32 H LYS 8 H LYS 8 -17.811 -21.217 -6.682 33 HA LYS 8 HA LYS 8 -17.508 -20.195 -4.670 34 HB2 LYS 8 1HB LYS 8 -16.464 -17.974 -6.435 35 HB3 LYS 8 2HB LYS 8 -16.104 -18.185 -4.720 36 HG2 LYS 8 1HG LYS 8 -15.017 -20.356 -5.183 37 HG3 LYS 8 2HG LYS 8 -15.421 -20.203 -6.893 38 HD2 LYS 8 1HD LYS 8 -14.084 -17.939 -6.793 39 HD3 LYS 8 2HD LYS 8 -13.467 -18.561 -5.258 40 HE2 LYS 8 1HE LYS 8 -11.852 -19.259 -6.822 41 HE3 LYS 8 2HE LYS 8 -12.834 -20.703 -6.554 42 HZ1 LYS 8 3HZ LYS 8 -12.985 -18.847 -8.870 43 HZ2 LYS 8 1HZ LYS 8 -14.098 -20.010 -8.626 44 HZ3 LYS 8 2HZ LYS 8 -12.531 -20.413 -8.909 45 HA PRO 9 HA PRO 9 -21.478 -17.733 -5.027 46 HB2 PRO 9 1HB PRO 9 -22.921 -19.211 -3.144 47 HB3 PRO 9 2HB PRO 9 -22.793 -19.581 -4.879 48 HG2 PRO 9 1HG PRO 9 -21.197 -20.813 -2.667 49 HG3 PRO 9 2HG PRO 9 -22.063 -21.629 -4.003 50 HD2 PRO 9 1HD PRO 9 -19.412 -21.118 -4.176 51 HD3 PRO 9 2HD PRO 9 -20.468 -20.911 -5.597 52 H TYR 10 H TYR 10 -19.637 -18.761 -2.176 53 HA TYR 10 HA TYR 10 -20.927 -16.804 -0.451 54 HB2 TYR 10 1HB TYR 10 -18.529 -18.601 -0.002 55 HB3 TYR 10 2HB TYR 10 -19.319 -17.611 1.222 56 HD1 TYR 10 1HD TYR 10 -19.694 -20.560 -0.997 57 HD2 TYR 10 2HD TYR 10 -21.516 -18.214 2.121 58 HE1 TYR 10 1HE TYR 10 -21.265 -22.418 -0.534 59 HE2 TYR 10 2HE TYR 10 -23.131 -20.066 2.566 60 HH TYR 10 HH TYR 10 -23.803 -22.185 2.000 61 H LYS 11 H LYS 11 -20.550 -14.759 -0.991 62 HA LYS 11 HA LYS 11 -17.834 -13.738 -1.710 63 HB2 LYS 11 1HB LYS 11 -20.651 -12.664 -2.042 64 HB3 LYS 11 2HB LYS 11 -19.282 -11.569 -2.032 65 HG2 LYS 11 1HG LYS 11 -19.780 -12.008 -4.280 66 HG3 LYS 11 2HG LYS 11 -18.237 -12.775 -3.913 67 HD2 LYS 11 1HD LYS 11 -19.324 -14.985 -3.842 68 HD3 LYS 11 2HD LYS 11 -20.921 -14.223 -4.059 69 HE2 LYS 11 1HE LYS 11 -20.194 -13.318 -6.246 70 HE3 LYS 11 2HE LYS 11 -18.601 -14.065 -6.033 71 HZ1 LYS 11 3HZ LYS 11 -19.662 -16.219 -6.052 72 HZ2 LYS 11 1HZ LYS 11 -20.027 -15.421 -7.431 73 HZ3 LYS 11 2HZ LYS 11 -21.157 -15.547 -6.254 74 H CYS 12 H CYS 12 -16.816 -12.046 -0.691 75 HA CYS 12 HA CYS 12 -17.358 -11.616 2.130 76 HB2 CYS 12 1HB CYS 12 -15.134 -11.902 1.277 77 HB3 CYS 12 2HB CYS 12 -15.317 -10.513 0.197 78 HA PRO 13 HA PRO 13 -19.757 -7.839 1.312 79 HB2 PRO 13 1HB PRO 13 -20.199 -7.041 3.868 80 HB3 PRO 13 2HB PRO 13 -20.963 -8.513 3.192 81 HG2 PRO 13 1HG PRO 13 -18.505 -8.309 4.949 82 HG3 PRO 13 2HG PRO 13 -19.887 -9.435 5.101 83 HD2 PRO 13 1HD PRO 13 -17.487 -10.053 3.825 84 HD3 PRO 13 2HD PRO 13 -19.045 -10.830 3.426 85 H GLN 14 H GLN 14 -16.562 -8.075 2.587 86 HA GLN 14 HA GLN 14 -16.254 -5.116 2.852 87 HB2 GLN 14 1HB GLN 14 -14.366 -7.245 3.880 88 HB3 GLN 14 2HB GLN 14 -14.401 -5.528 4.257 89 HG2 GLN 14 1HG GLN 14 -16.849 -6.081 5.126 90 HG3 GLN 14 2HG GLN 14 -16.259 -7.740 5.152 91 HE21 GLN 14 1HE2 GLN 14 -16.155 -8.092 7.399 92 HE22 GLN 14 2HE2 GLN 14 -15.195 -7.085 8.470 93 H CYS 15 H CYS 15 -15.032 -7.897 1.000 94 HA CYS 15 HA CYS 15 -13.660 -5.987 -0.801 95 HB2 CYS 15 1HB CYS 15 -11.549 -7.114 -0.743 96 HB3 CYS 15 2HB CYS 15 -11.979 -6.643 0.893 97 H SER 16 H SER 16 -12.497 -7.471 -2.597 98 HA SER 16 HA SER 16 -14.662 -8.576 -4.142 99 HB2 SER 16 1HB SER 16 -11.678 -8.642 -4.715 100 HB3 SER 16 2HB SER 16 -12.986 -8.845 -5.891 101 HG SER 16 HG SER 16 -13.618 -6.693 -5.500 102 H TYR 17 H TYR 17 -13.056 -10.127 -1.693 103 HA TYR 17 HA TYR 17 -12.302 -12.642 -2.760 104 HB2 TYR 17 1HB TYR 17 -11.639 -11.851 -0.569 105 HB3 TYR 17 2HB TYR 17 -13.301 -11.811 -0.021 106 HD1 TYR 17 1HD TYR 17 -10.457 -14.004 -1.013 107 HD2 TYR 17 2HD TYR 17 -14.380 -13.879 0.785 108 HE1 TYR 17 1HE TYR 17 -10.118 -16.296 -0.086 109 HE2 TYR 17 2HE TYR 17 -14.019 -16.144 1.738 110 HH TYR 17 HH TYR 17 -12.471 -17.790 2.140 111 H ALA 18 H ALA 18 -13.252 -14.602 -2.919 112 HA ALA 18 HA ALA 18 -15.949 -15.086 -1.990 113 HB1 ALA 18 1HB ALA 18 -15.313 -15.445 -4.953 114 HB2 ALA 18 2HB ALA 18 -16.839 -15.848 -4.134 115 HB3 ALA 18 3HB ALA 18 -16.336 -14.157 -4.279 116 H SER 19 H SER 19 -16.440 -17.321 -1.777 117 HA SER 19 HA SER 19 -14.455 -19.327 -2.664 118 HB2 SER 19 1HB SER 19 -13.834 -18.541 -0.311 119 HB3 SER 19 2HB SER 19 -15.341 -19.301 0.235 120 HG SER 19 HG SER 19 -13.070 -20.483 -1.027 121 H ALA 20 H ALA 20 -15.227 -21.576 -2.194 122 HA ALA 20 HA ALA 20 -18.065 -21.852 -2.937 123 HB1 ALA 20 1HB ALA 20 -16.313 -22.947 -4.281 124 HB2 ALA 20 2HB ALA 20 -15.812 -23.886 -2.854 125 HB3 ALA 20 3HB ALA 20 -17.424 -24.125 -3.561 126 H ILE 21 H ILE 21 -16.572 -21.668 -0.012 127 HA ILE 21 HA ILE 21 -18.435 -23.579 1.342 128 HB ILE 21 HB ILE 21 -15.464 -23.190 1.858 129 HG12 ILE 21 1HG1 ILE 21 -16.987 -25.574 0.708 130 HG13 ILE 21 2HG1 ILE 21 -15.832 -24.552 -0.149 131 HG21 ILE 21 1HG2 ILE 21 -16.686 -23.590 3.951 132 HG22 ILE 21 2HG2 ILE 21 -17.416 -25.061 3.265 133 HG23 ILE 21 3HG2 ILE 21 -15.663 -24.940 3.564 134 HD11 ILE 21 3HD1 ILE 21 -14.719 -26.579 0.337 135 HD12 ILE 21 1HD1 ILE 21 -14.026 -25.345 1.410 136 HD13 ILE 21 2HD1 ILE 21 -15.188 -26.542 2.040 137 H LYS 22 H LYS 22 -19.459 -22.759 3.106 138 HA LYS 22 HA LYS 22 -19.338 -19.988 3.771 139 HB2 LYS 22 1HB LYS 22 -21.319 -21.431 4.084 140 HB3 LYS 22 2HB LYS 22 -20.490 -22.342 5.338 141 HG2 LYS 22 1HG LYS 22 -22.125 -20.731 6.230 142 HG3 LYS 22 2HG LYS 22 -20.495 -20.434 6.834 143 HD2 LYS 22 1HD LYS 22 -20.227 -18.494 5.397 144 HD3 LYS 22 2HD LYS 22 -21.682 -18.906 4.485 145 HE2 LYS 22 1HE LYS 22 -22.076 -17.021 5.981 146 HE3 LYS 22 2HE LYS 22 -23.113 -18.392 6.374 147 HZ1 LYS 22 3HZ LYS 22 -21.736 -18.886 8.258 148 HZ2 LYS 22 1HZ LYS 22 -22.058 -17.292 8.334 149 HZ3 LYS 22 2HZ LYS 22 -20.583 -17.809 7.836 150 H ALA 23 H ALA 23 -17.820 -22.775 5.422 151 HA ALA 23 HA ALA 23 -16.634 -21.354 7.567 152 HB1 ALA 23 1HB ALA 23 -15.124 -23.272 7.722 153 HB2 ALA 23 2HB ALA 23 -16.782 -23.816 7.410 154 HB3 ALA 23 3HB ALA 23 -15.580 -23.806 6.095 155 H ASN 24 H ASN 24 -15.483 -21.694 4.188 156 HA ASN 24 HA ASN 24 -12.939 -20.372 4.680 157 HB2 ASN 24 1HB ASN 24 -14.549 -20.901 2.134 158 HB3 ASN 24 2HB ASN 24 -12.967 -20.157 2.149 159 HD21 ASN 24 1HD2 ASN 24 -13.077 -22.162 0.600 160 HD22 ASN 24 2HD2 ASN 24 -12.288 -23.585 1.293 161 H LEU 25 H LEU 25 -16.204 -19.175 4.008 162 HA LEU 25 HA LEU 25 -15.257 -16.425 3.649 163 HB2 LEU 25 1HB LEU 25 -17.330 -17.118 2.595 164 HB3 LEU 25 2HB LEU 25 -18.028 -17.552 4.158 165 HG LEU 25 HG LEU 25 -17.946 -15.197 4.886 166 HD11 LEU 25 1HD1 LEU 25 -16.021 -14.341 3.593 167 HD12 LEU 25 2HD1 LEU 25 -17.471 -13.404 3.271 168 HD13 LEU 25 3HD1 LEU 25 -16.913 -14.597 2.075 169 HD21 LEU 25 3HD2 LEU 25 -19.939 -16.089 3.700 170 HD22 LEU 25 1HD2 LEU 25 -19.267 -15.482 2.166 171 HD23 LEU 25 2HD2 LEU 25 -19.708 -14.349 3.454 172 H ASN 26 H ASN 26 -16.710 -18.290 6.390 173 HA ASN 26 HA ASN 26 -16.660 -16.265 8.346 174 HB2 ASN 26 1HB ASN 26 -15.848 -19.191 8.733 175 HB3 ASN 26 2HB ASN 26 -16.338 -18.088 10.004 176 HD21 ASN 26 1HD2 ASN 26 -17.386 -20.549 9.648 177 HD22 ASN 26 2HD2 ASN 26 -19.099 -20.381 9.255 178 H VAL 27 H VAL 27 -13.998 -18.522 7.483 179 HA VAL 27 HA VAL 27 -12.161 -17.516 9.378 180 HB VAL 27 HB VAL 27 -12.217 -19.689 7.889 181 HG11 VAL 27 1HG1 VAL 27 -10.546 -19.891 6.222 182 HG12 VAL 27 2HG1 VAL 27 -11.707 -18.657 5.735 183 HG13 VAL 27 3HG1 VAL 27 -10.107 -18.175 6.351 184 HG21 VAL 27 3HG2 VAL 27 -10.846 -19.307 9.850 185 HG22 VAL 27 1HG2 VAL 27 -9.892 -20.098 8.583 186 HG23 VAL 27 2HG2 VAL 27 -9.696 -18.346 8.873 187 H HIS 28 H HIS 28 -12.785 -16.579 6.100 188 HA HIS 28 HA HIS 28 -10.590 -14.830 5.726 189 HB2 HIS 28 1HB HIS 28 -11.835 -15.791 3.902 190 HB3 HIS 28 2HB HIS 28 -13.331 -15.039 4.428 191 HD1 HIS 28 1HD HIS 28 -10.045 -13.971 2.745 192 HD2 HIS 28 2HD HIS 28 -13.813 -12.506 3.899 193 HE1 HIS 28 1HE HIS 28 -10.188 -11.622 1.807 194 H LEU 29 H LEU 29 -13.864 -14.248 6.997 195 HA LEU 29 HA LEU 29 -13.684 -11.381 7.128 196 HB2 LEU 29 1HB LEU 29 -15.337 -13.357 8.719 197 HB3 LEU 29 2HB LEU 29 -15.594 -11.618 8.751 198 HG LEU 29 HG LEU 29 -15.781 -13.202 6.171 199 HD11 LEU 29 1HD1 LEU 29 -17.419 -14.116 7.777 200 HD12 LEU 29 2HD1 LEU 29 -18.223 -13.200 6.498 201 HD13 LEU 29 3HD1 LEU 29 -18.016 -12.475 8.110 202 HD21 LEU 29 3HD2 LEU 29 -15.542 -10.791 5.866 203 HD22 LEU 29 1HD2 LEU 29 -16.896 -10.505 6.997 204 HD23 LEU 29 2HD2 LEU 29 -17.168 -11.345 5.457 205 H ARG 30 H ARG 30 -12.431 -13.857 9.259 206 HA ARG 30 HA ARG 30 -11.915 -12.285 11.594 207 HB2 ARG 30 1HB ARG 30 -10.203 -14.534 10.446 208 HB3 ARG 30 2HB ARG 30 -10.119 -13.898 12.083 209 HG2 ARG 30 1HG ARG 30 -12.403 -14.683 12.563 210 HG3 ARG 30 2HG ARG 30 -12.575 -15.255 10.903 211 HD2 ARG 30 1HD ARG 30 -12.093 -17.140 12.299 212 HD3 ARG 30 2HD ARG 30 -10.722 -16.860 11.234 213 HE ARG 30 HE ARG 30 -10.879 -16.288 14.173 214 HH11 ARG 30 2HH1 ARG 30 -8.781 -16.625 11.377 215 HH12 ARG 30 1HH1 ARG 30 -7.341 -16.616 12.358 216 HH21 ARG 30 2HH2 ARG 30 -9.006 -16.280 15.343 217 HH22 ARG 30 1HH2 ARG 30 -7.472 -16.423 14.537 218 H LYS 31 H LYS 31 -10.144 -12.487 8.538 219 HA LYS 31 HA LYS 31 -7.753 -11.111 9.366 220 HB2 LYS 31 1HB LYS 31 -8.938 -11.194 6.555 221 HB3 LYS 31 2HB LYS 31 -7.246 -10.953 7.009 222 HG2 LYS 31 1HG LYS 31 -7.261 -13.287 7.994 223 HG3 LYS 31 2HG LYS 31 -8.903 -13.479 7.346 224 HD2 LYS 31 1HD LYS 31 -7.889 -12.843 5.040 225 HD3 LYS 31 2HD LYS 31 -6.305 -13.135 5.814 226 HE2 LYS 31 1HE LYS 31 -7.266 -15.365 6.607 227 HE3 LYS 31 2HE LYS 31 -8.679 -15.022 5.605 228 HZ1 LYS 31 3HZ LYS 31 -5.882 -15.323 4.605 229 HZ2 LYS 31 1HZ LYS 31 -7.162 -14.980 3.651 230 HZ3 LYS 31 2HZ LYS 31 -7.065 -16.424 4.409 231 H HIS 32 H HIS 32 -10.799 -9.973 8.010 232 HA HIS 32 HA HIS 32 -10.052 -7.206 7.776 233 HB2 HIS 32 1HB HIS 32 -12.786 -8.537 7.949 234 HB3 HIS 32 2HB HIS 32 -12.527 -6.825 7.650 235 HD1 HIS 32 1HD HIS 32 -10.730 -6.404 5.411 236 HD2 HIS 32 2HD HIS 32 -13.159 -9.822 5.710 237 HE1 HIS 32 1HE HIS 32 -10.932 -7.307 3.051 238 H THR 33 H THR 33 -10.596 -8.943 10.701 239 HA THR 33 HA THR 33 -11.563 -6.660 12.256 240 HB THR 33 HB THR 33 -11.103 -7.916 14.219 241 HG1 THR 33 1HG THR 33 -9.872 -9.928 12.649 242 HG21 THR 33 3HG2 THR 33 -12.348 -9.976 13.860 243 HG22 THR 33 1HG2 THR 33 -12.110 -9.852 12.102 244 HG23 THR 33 2HG2 THR 33 -13.085 -8.635 12.954 245 H GLY 34 H GLY 34 -8.445 -7.712 11.135 246 HA2 GLY 34 1HA GLY 34 -6.928 -6.079 13.089 247 HA3 GLY 34 2HA GLY 34 -6.313 -7.299 11.984 248 H GLU 35 H GLU 35 -4.830 -5.137 12.056 249 HA GLU 35 HA GLU 35 -5.565 -3.059 10.126 250 HB2 GLU 35 1HB GLU 35 -3.046 -3.725 11.644 251 HB3 GLU 35 2HB GLU 35 -3.072 -2.511 10.349 252 HG2 GLU 35 1HG GLU 35 -4.760 -1.206 11.462 253 HG3 GLU 35 2HG GLU 35 -5.018 -2.450 12.673 254 H LYS 36 H LYS 36 -5.394 -3.040 8.060 255 HA LYS 36 HA LYS 36 -3.918 -5.225 6.649 256 HB2 LYS 36 1HB LYS 36 -6.094 -3.396 5.616 257 HB3 LYS 36 2HB LYS 36 -5.183 -4.552 4.650 258 HG2 LYS 36 1HG LYS 36 -6.224 -5.983 6.944 259 HG3 LYS 36 2HG LYS 36 -7.518 -4.986 6.285 260 HD2 LYS 36 1HD LYS 36 -7.726 -7.017 5.125 261 HD3 LYS 36 2HD LYS 36 -6.894 -5.958 3.972 262 HE2 LYS 36 1HE LYS 36 -4.697 -6.968 4.779 263 HE3 LYS 36 2HE LYS 36 -5.649 -8.081 5.770 264 HZ1 LYS 36 3HZ LYS 36 -5.672 -7.906 2.803 265 HZ2 LYS 36 1HZ LYS 36 -6.718 -8.843 3.656 266 HZ3 LYS 36 2HZ LYS 36 -5.112 -9.149 3.689 267 H PHE 37 H PHE 37 -2.001 -4.806 6.251 268 HA PHE 37 HA PHE 37 -0.928 -2.112 5.686 269 HB2 PHE 37 1HB PHE 37 0.414 -4.816 6.105 270 HB3 PHE 37 2HB PHE 37 1.239 -3.275 5.962 271 HD1 PHE 37 1HD PHE 37 -0.880 -5.355 8.161 272 HD2 PHE 37 2HD PHE 37 1.261 -1.635 7.782 273 HE1 PHE 37 1HE PHE 37 -1.117 -4.978 10.591 274 HE2 PHE 37 2HE PHE 37 1.024 -1.258 10.213 275 HZ PHE 37 HZ PHE 37 -0.229 -2.902 11.621 276 H ALA 38 H ALA 38 -1.215 -1.470 3.623 277 HA ALA 38 HA ALA 38 -1.317 -3.393 1.410 278 HB1 ALA 38 1HB ALA 38 -1.809 -0.391 1.446 279 HB2 ALA 38 2HB ALA 38 -2.220 -1.513 0.141 280 HB3 ALA 38 3HB ALA 38 -3.060 -1.633 1.703 281 H CYS 39 H CYS 39 -0.088 -3.485 -0.444 282 HA CYS 39 HA CYS 39 2.598 -2.439 -0.420 283 HB2 CYS 39 1HB CYS 39 1.894 -4.561 -1.302 284 HB3 CYS 39 2HB CYS 39 0.879 -3.770 -2.514 285 H ASP 40 H ASP 40 3.518 -0.883 -1.571 286 HA ASP 40 HA ASP 40 1.824 1.344 -2.524 287 HB2 ASP 40 1HB ASP 40 3.802 1.673 -0.984 288 HB3 ASP 40 2HB ASP 40 4.854 1.166 -2.304 289 H TYR 41 H TYR 41 3.136 -1.457 -3.842 290 HA TYR 41 HA TYR 41 3.610 -0.267 -6.557 291 HB2 TYR 41 1HB TYR 41 4.828 -2.721 -5.237 292 HB3 TYR 41 2HB TYR 41 5.077 -2.217 -6.899 293 HD1 TYR 41 2HD TYR 41 5.662 -1.480 -3.356 294 HD2 TYR 41 1HD TYR 41 6.564 -0.324 -7.401 295 HE1 TYR 41 2HE TYR 41 7.561 -0.074 -2.522 296 HE2 TYR 41 1HE TYR 41 8.463 1.077 -6.591 297 HH TYR 41 HH TYR 41 9.278 1.361 -3.117 298 H CYS 42 H CYS 42 1.871 -2.760 -4.775 299 HA CYS 42 HA CYS 42 0.216 -3.148 -7.194 300 HB2 CYS 42 1HB CYS 42 0.129 -5.562 -7.024 301 HB3 CYS 42 2HB CYS 42 1.767 -4.993 -7.345 302 H SER 43 H SER 43 -1.665 -4.835 -6.468 303 HA SER 43 HA SER 43 -3.245 -3.405 -4.480 304 HB2 SER 43 1HB SER 43 -5.022 -4.994 -5.181 305 HB3 SER 43 2HB SER 43 -4.292 -4.109 -6.526 306 HG SER 43 HG SER 43 -4.513 -6.361 -6.974 307 H PHE 44 H PHE 44 -0.852 -5.559 -3.930 308 HA PHE 44 HA PHE 44 -1.940 -7.570 -2.286 309 HB2 PHE 44 1HB PHE 44 0.283 -7.656 -3.103 310 HB3 PHE 44 2HB PHE 44 0.748 -6.190 -2.274 311 HD1 PHE 44 2HD PHE 44 0.051 -9.806 -1.882 312 HD2 PHE 44 1HD PHE 44 1.336 -6.195 0.103 313 HE1 PHE 44 2HE PHE 44 0.926 -11.151 0.017 314 HE2 PHE 44 1HE PHE 44 2.222 -7.542 1.981 315 HZ PHE 44 HZ PHE 44 2.023 -10.023 1.944 316 H THR 45 H THR 45 -2.183 -7.809 -0.127 317 HA THR 45 HA THR 45 -1.602 -5.661 1.753 318 HB THR 45 HB THR 45 -3.754 -5.907 2.917 319 HG1 THR 45 1HG THR 45 -4.656 -7.081 0.505 320 HG21 THR 45 3HG2 THR 45 -3.408 -3.986 1.554 321 HG22 THR 45 1HG2 THR 45 -5.101 -4.491 1.434 322 HG23 THR 45 2HG2 THR 45 -3.974 -4.832 0.092 323 H CYS 46 H CYS 46 -1.399 -6.312 3.869 324 HA CYS 46 HA CYS 46 -1.570 -9.215 4.518 325 HB2 CYS 46 1HB CYS 46 0.747 -8.517 3.597 326 HB3 CYS 46 2HB CYS 46 0.963 -7.639 5.120 327 HG CYS 46 HG CYS 46 0.293 -10.858 4.545 328 H LEU 47 H LEU 47 -1.028 -9.583 6.889 329 HA LEU 47 HA LEU 47 -2.459 -7.599 8.570 330 HB2 LEU 47 1HB LEU 47 -2.117 -10.564 8.549 331 HB3 LEU 47 2HB LEU 47 -2.144 -9.842 10.134 332 HG LEU 47 HG LEU 47 -4.344 -10.668 9.302 333 HD11 LEU 47 1HD1 LEU 47 -5.650 -8.798 10.153 334 HD12 LEU 47 2HD1 LEU 47 -4.269 -7.703 9.960 335 HD13 LEU 47 3HD1 LEU 47 -4.194 -9.033 11.134 336 HD21 LEU 47 3HD2 LEU 47 -4.334 -8.209 7.505 337 HD22 LEU 47 1HD2 LEU 47 -5.666 -9.346 7.763 338 HD23 LEU 47 2HD2 LEU 47 -4.190 -9.898 6.946 339 H SER 48 H SER 48 0.649 -7.854 7.766 340 HA SER 48 HA SER 48 1.484 -6.496 10.257 341 HB2 SER 48 1HB SER 48 2.187 -8.766 10.719 342 HB3 SER 48 2HB SER 48 2.937 -8.906 9.118 343 HG SER 48 HG SER 48 4.368 -8.369 10.953 344 H LYS 49 H LYS 49 2.697 -4.855 9.961 345 HA LYS 49 HA LYS 49 3.545 -3.759 7.465 346 HB2 LYS 49 1HB LYS 49 5.142 -2.466 9.081 347 HB3 LYS 49 2HB LYS 49 3.419 -2.136 9.051 348 HG2 LYS 49 1HG LYS 49 3.101 -3.471 11.100 349 HG3 LYS 49 2HG LYS 49 4.831 -3.882 11.117 350 HD2 LYS 49 1HD LYS 49 5.425 -1.537 11.450 351 HD3 LYS 49 2HD LYS 49 3.734 -1.033 11.228 352 HE2 LYS 49 1HE LYS 49 3.059 -2.329 13.208 353 HE3 LYS 49 2HE LYS 49 4.725 -2.876 13.444 354 HZ1 LYS 49 3HZ LYS 49 3.827 -0.043 13.586 355 HZ2 LYS 49 1HZ LYS 49 5.367 -0.548 13.804 356 HZ3 LYS 49 2HZ LYS 49 4.209 -0.976 14.869 357 H GLY 50 H GLY 50 5.152 -5.995 9.689 358 HA2 GLY 50 1HA GLY 50 7.804 -5.826 8.506 359 HA3 GLY 50 2HA GLY 50 7.175 -7.088 9.575 360 H HIS 51 H HIS 51 4.992 -8.041 8.047 361 HA HIS 51 HA HIS 51 6.286 -9.614 5.972 362 HB2 HIS 51 1HB HIS 51 3.359 -9.222 6.658 363 HB3 HIS 51 2HB HIS 51 3.990 -10.426 5.530 364 HD1 HIS 51 1HD HIS 51 2.359 -11.446 7.975 365 HD2 HIS 51 2HD HIS 51 6.542 -10.987 7.858 366 HE1 HIS 51 1HE HIS 51 3.301 -12.989 9.776 367 H LEU 52 H LEU 52 4.202 -6.691 5.895 368 HA LEU 52 HA LEU 52 4.066 -6.433 3.061 369 HB2 LEU 52 1HB LEU 52 2.658 -5.106 4.507 370 HB3 LEU 52 2HB LEU 52 4.055 -4.405 5.321 371 HG LEU 52 HG LEU 52 4.726 -3.242 3.234 372 HD11 LEU 52 1HD1 LEU 52 2.095 -4.319 2.128 373 HD12 LEU 52 2HD1 LEU 52 3.721 -4.764 1.555 374 HD13 LEU 52 3HD1 LEU 52 3.167 -3.107 1.388 375 HD21 LEU 52 3HD2 LEU 52 1.850 -2.646 3.935 376 HD22 LEU 52 1HD2 LEU 52 3.062 -1.537 3.281 377 HD23 LEU 52 2HD2 LEU 52 3.245 -2.159 4.929 378 H LYS 53 H LYS 53 6.593 -5.217 5.357 379 HA LYS 53 HA LYS 53 8.306 -4.085 3.373 380 HB2 LYS 53 1HB LYS 53 8.696 -3.579 5.647 381 HB3 LYS 53 2HB LYS 53 8.795 -5.271 6.126 382 HG2 LYS 53 1HG LYS 53 10.892 -5.588 4.978 383 HG3 LYS 53 2HG LYS 53 10.828 -3.976 4.264 384 HD2 LYS 53 1HD LYS 53 10.933 -4.550 7.261 385 HD3 LYS 53 2HD LYS 53 12.362 -4.237 6.259 386 HE2 LYS 53 1HE LYS 53 11.433 -2.006 5.642 387 HE3 LYS 53 2HE LYS 53 10.044 -2.298 6.697 388 HZ1 LYS 53 3HZ LYS 53 11.589 -2.439 8.581 389 HZ2 LYS 53 1HZ LYS 53 11.751 -1.000 7.830 390 HZ3 LYS 53 2HZ LYS 53 12.871 -2.163 7.605 391 H VAL 54 H VAL 54 8.315 -7.451 4.676 392 HA VAL 54 HA VAL 54 10.357 -8.403 2.953 393 HB VAL 54 HB VAL 54 8.007 -9.902 4.176 394 HG11 VAL 54 1HG1 VAL 54 10.470 -10.974 2.726 395 HG12 VAL 54 2HG1 VAL 54 9.439 -11.952 3.804 396 HG13 VAL 54 3HG1 VAL 54 8.762 -11.271 2.327 397 HG21 VAL 54 3HG2 VAL 54 10.957 -9.773 4.928 398 HG22 VAL 54 1HG2 VAL 54 9.663 -8.892 5.757 399 HG23 VAL 54 2HG2 VAL 54 9.673 -10.658 5.789 400 H HIS 55 H HIS 55 6.831 -8.207 2.323 401 HA HIS 55 HA HIS 55 6.829 -9.450 -0.210 402 HB2 HIS 55 1HB HIS 55 4.744 -8.953 0.858 403 HB3 HIS 55 2HB HIS 55 5.105 -7.234 0.946 404 HD1 HIS 55 1HD HIS 55 4.069 -9.852 -1.674 405 HD2 HIS 55 2HD HIS 55 4.548 -5.710 -1.138 406 HE1 HIS 55 1HE HIS 55 3.127 -8.769 -3.766 407 H ILE 56 H ILE 56 7.421 -5.954 0.518 408 HA ILE 56 HA ILE 56 7.914 -5.319 -2.281 409 HB ILE 56 HB ILE 56 8.586 -3.829 0.265 410 HG12 ILE 56 1HG1 ILE 56 6.327 -3.294 -1.713 411 HG13 ILE 56 2HG1 ILE 56 6.114 -4.246 -0.255 412 HG21 ILE 56 1HG2 ILE 56 10.035 -3.127 -1.652 413 HG22 ILE 56 2HG2 ILE 56 8.574 -2.829 -2.623 414 HG23 ILE 56 3HG2 ILE 56 8.920 -1.850 -1.182 415 HD11 ILE 56 3HD1 ILE 56 6.883 -1.317 -0.309 416 HD12 ILE 56 1HD1 ILE 56 5.333 -2.029 0.170 417 HD13 ILE 56 2HD1 ILE 56 6.777 -2.339 1.151 418 H GLU 57 H GLU 57 10.043 -6.179 0.424 419 HA GLU 57 HA GLU 57 12.543 -5.805 -0.953 420 HB2 GLU 57 1HB GLU 57 11.700 -7.520 1.403 421 HB3 GLU 57 2HB GLU 57 13.370 -7.306 0.943 422 HG2 GLU 57 1HG GLU 57 11.732 -4.823 1.490 423 HG3 GLU 57 2HG GLU 57 12.225 -5.860 2.822 424 H ARG 58 H ARG 58 10.229 -8.275 -1.288 425 HA ARG 58 HA ARG 58 12.224 -9.997 -2.751 426 HB2 ARG 58 1HB ARG 58 11.132 -11.920 -2.172 427 HB3 ARG 58 2HB ARG 58 10.997 -10.928 -0.739 428 HG2 ARG 58 1HG ARG 58 8.653 -10.306 -1.487 429 HG3 ARG 58 2HG ARG 58 8.806 -11.540 -2.746 430 HD2 ARG 58 1HD ARG 58 9.103 -12.034 0.240 431 HD3 ARG 58 2HD ARG 58 7.617 -12.310 -0.685 432 HE ARG 58 HE ARG 58 9.609 -13.760 -2.021 433 HH11 ARG 58 2HH1 ARG 58 8.146 -13.916 1.161 434 HH12 ARG 58 1HH1 ARG 58 8.476 -15.619 1.326 435 HH21 ARG 58 2HH2 ARG 58 10.000 -15.928 -1.741 436 HH22 ARG 58 1HH2 ARG 58 9.490 -16.721 -0.280 437 H VAL 59 H VAL 59 8.952 -8.616 -3.117 438 HA VAL 59 HA VAL 59 8.807 -9.758 -5.791 439 HB VAL 59 HB VAL 59 6.769 -7.987 -4.390 440 HG11 VAL 59 1HG1 VAL 59 6.453 -7.984 -6.833 441 HG12 VAL 59 2HG1 VAL 59 6.521 -9.763 -6.853 442 HG13 VAL 59 3HG1 VAL 59 5.184 -8.918 -6.043 443 HG21 VAL 59 3HG2 VAL 59 5.524 -10.170 -4.107 444 HG22 VAL 59 1HG2 VAL 59 6.995 -11.021 -4.621 445 HG23 VAL 59 2HG2 VAL 59 6.978 -10.046 -3.131 446 H HIS 60 H HIS 60 8.837 -6.462 -4.385 447 HA HIS 60 HA HIS 60 9.292 -5.262 -7.055 448 HB2 HIS 60 1HB HIS 60 8.502 -3.894 -4.505 449 HB3 HIS 60 2HB HIS 60 8.455 -3.234 -6.138 450 HD1 HIS 60 1HD HIS 60 6.574 -4.624 -7.817 451 HD2 HIS 60 2HD HIS 60 6.356 -5.031 -3.640 452 HE1 HIS 60 1HE HIS 60 4.238 -5.514 -7.327 453 H LYS 61 H LYS 61 11.366 -6.614 -5.371 454 HA LYS 61 HA LYS 61 13.346 -4.628 -4.655 455 HB2 LYS 61 1HB LYS 61 13.202 -6.814 -3.630 456 HB3 LYS 61 2HB LYS 61 13.413 -7.628 -5.166 457 HG2 LYS 61 1HG LYS 61 15.423 -7.770 -3.815 458 HG3 LYS 61 2HG LYS 61 15.720 -6.939 -5.326 459 HD2 LYS 61 1HD LYS 61 16.931 -5.961 -3.399 460 HD3 LYS 61 2HD LYS 61 15.877 -4.782 -4.182 461 HE2 LYS 61 1HE LYS 61 14.173 -5.077 -2.456 462 HE3 LYS 61 2HE LYS 61 15.112 -6.376 -1.702 463 HZ1 LYS 61 3HZ LYS 61 15.390 -4.266 -0.559 464 HZ2 LYS 61 1HZ LYS 61 15.990 -3.540 -1.899 465 HZ3 LYS 61 2HZ LYS 61 16.831 -4.749 -1.173 466 H LYS 62 H LYS 62 15.055 -3.879 -5.773 467 HA LYS 62 HA LYS 62 16.090 -2.904 -7.513 468 HB2 LYS 62 1HB LYS 62 16.121 -5.735 -8.620 469 HB3 LYS 62 2HB LYS 62 17.126 -4.401 -9.198 470 HG2 LYS 62 1HG LYS 62 18.142 -4.177 -6.936 471 HG3 LYS 62 2HG LYS 62 17.227 -5.582 -6.392 472 HD2 LYS 62 1HD LYS 62 19.269 -5.577 -8.655 473 HD3 LYS 62 2HD LYS 62 19.567 -6.121 -6.998 474 HE2 LYS 62 1HE LYS 62 17.806 -7.866 -7.253 475 HE3 LYS 62 2HE LYS 62 17.543 -7.350 -8.924 476 HZ1 LYS 62 3HZ LYS 62 20.099 -8.436 -7.865 477 HZ2 LYS 62 1HZ LYS 62 19.854 -7.955 -9.408 478 HZ3 LYS 62 2HZ LYS 62 19.051 -9.246 -8.818 479 H ILE 63 H ILE 63 13.636 -2.225 -7.598 480 HA ILE 63 HA ILE 63 12.578 -2.505 -10.353 481 HB ILE 63 HB ILE 63 11.148 -2.963 -8.362 482 HG12 ILE 63 1HG1 ILE 63 10.056 -0.796 -10.194 483 HG13 ILE 63 2HG1 ILE 63 10.297 -2.483 -10.664 484 HG21 ILE 63 1HG2 ILE 63 11.946 -1.001 -6.974 485 HG22 ILE 63 2HG2 ILE 63 11.021 0.072 -8.049 486 HG23 ILE 63 3HG2 ILE 63 10.195 -1.153 -7.066 487 HD11 ILE 63 3HD1 ILE 63 7.979 -2.145 -10.062 488 HD12 ILE 63 1HD1 ILE 63 8.738 -3.196 -8.848 489 HD13 ILE 63 2HD1 ILE 63 8.425 -1.481 -8.484 490 H LYS 64 H LYS 64 12.007 -0.762 -11.654 491 HA LYS 64 HA LYS 64 13.708 1.561 -11.588 492 HB2 LYS 64 1HB LYS 64 12.491 2.278 -13.577 493 HB3 LYS 64 2HB LYS 64 12.991 0.592 -13.693 494 HG2 LYS 64 1HG LYS 64 10.683 -0.140 -13.114 495 HG3 LYS 64 2HG LYS 64 10.183 1.557 -12.974 496 HD2 LYS 64 1HD LYS 64 10.671 1.928 -15.362 497 HD3 LYS 64 2HD LYS 64 11.324 0.293 -15.501 498 HE2 LYS 64 1HE LYS 64 9.120 0.269 -16.435 499 HE3 LYS 64 2HE LYS 64 9.100 -0.662 -14.937 500 HZ1 LYS 64 3HZ LYS 64 7.182 0.827 -15.119 501 HZ2 LYS 64 1HZ LYS 64 8.137 2.142 -15.215 502 HZ3 LYS 64 2HZ LYS 64 8.081 1.263 -13.833 503 H GLN 65 H GLN 65 13.145 3.728 -11.490 504 HA GLN 65 HA GLN 65 10.689 4.571 -10.026 505 HB2 GLN 65 1HB GLN 65 13.552 5.135 -9.136 506 HB3 GLN 65 2HB GLN 65 12.112 5.833 -8.408 507 HG2 GLN 65 1HG GLN 65 12.815 2.868 -8.356 508 HG3 GLN 65 2HG GLN 65 13.144 4.034 -7.094 509 HE21 GLN 65 1HE2 GLN 65 11.813 1.988 -6.150 510 HE22 GLN 65 2HE2 GLN 65 10.142 2.415 -5.855 511 H HIS 66 H HIS 66 10.823 7.127 -9.778 512 HA HIS 66 HA HIS 66 12.539 8.370 -11.801 513 HB2 HIS 66 1HB HIS 66 10.904 9.609 -12.932 514 HB3 HIS 66 2HB HIS 66 10.355 7.942 -12.958 515 HD1 HIS 66 1HD HIS 66 8.064 7.443 -11.541 516 HD2 HIS 66 2HD HIS 66 9.471 11.405 -11.556 517 HE1 HIS 66 1HE HIS 66 6.163 8.879 -10.632 518 H CYS 67 H CYS 67 12.982 10.535 -11.532 519 HA CYS 67 HA CYS 67 13.216 11.412 -8.805 520 HB2 CYS 67 1HB CYS 67 14.926 11.642 -10.551 521 HB3 CYS 67 2HB CYS 67 13.843 12.675 -11.492 522 H ARG 68 H ARG 68 12.088 12.798 -7.647 523 HA ARG 68 HA ARG 68 9.608 13.954 -8.712 524 HB2 ARG 68 1HB ARG 68 8.979 14.402 -6.483 525 HB3 ARG 68 2HB ARG 68 9.715 12.819 -6.528 526 HG2 ARG 68 1HG ARG 68 10.678 13.614 -4.620 527 HG3 ARG 68 2HG ARG 68 11.915 14.077 -5.775 528 HD2 ARG 68 1HD ARG 68 11.568 15.883 -4.247 529 HD3 ARG 68 2HD ARG 68 10.949 16.421 -5.790 530 HE ARG 68 HE ARG 68 9.398 15.627 -3.359 531 HH11 ARG 68 2HH1 ARG 68 9.137 17.025 -6.593 532 HH12 ARG 68 1HH1 ARG 68 7.622 17.789 -6.197 533 HH21 ARG 68 1HH2 ARG 68 7.447 16.569 -2.999 534 HH22 ARG 68 2HH2 ARG 68 6.679 17.498 -4.252 535 H PHE 69 H PHE 69 12.719 15.068 -8.841 536 HA PHE 69 HA PHE 69 11.914 17.949 -8.635 537 HB2 PHE 69 1HB PHE 69 14.651 16.691 -8.723 538 HB3 PHE 69 2HB PHE 69 14.309 18.392 -8.498 539 HD1 PHE 69 2HD PHE 69 13.330 19.211 -6.343 540 HD2 PHE 69 1HD PHE 69 14.542 15.109 -6.894 541 HE1 PHE 69 2HE PHE 69 13.440 18.909 -3.880 542 HE2 PHE 69 1HE PHE 69 14.657 14.812 -4.430 543 HZ PHE 69 HZ PHE 69 14.123 16.717 -2.922 544 H CYS 70 H CYS 70 13.341 15.588 -10.912 545 HA CYS 70 HA CYS 70 13.013 17.576 -13.106 546 HB2 CYS 70 1HB CYS 70 15.096 17.018 -14.077 547 HB3 CYS 70 2HB CYS 70 15.326 17.577 -12.425 548 H LYS 71 H LYS 71 11.784 14.764 -12.105 549 HA LYS 71 HA LYS 71 10.675 13.018 -13.006 550 HB2 LYS 71 1HB LYS 71 10.419 14.808 -15.436 551 HB3 LYS 71 2HB LYS 71 9.437 13.395 -15.110 552 HG2 LYS 71 1HG LYS 71 9.538 15.888 -13.352 553 HG3 LYS 71 2HG LYS 71 8.324 15.560 -14.572 554 HD2 LYS 71 1HD LYS 71 8.778 13.833 -12.093 555 HD3 LYS 71 2HD LYS 71 7.554 15.093 -12.267 556 HE2 LYS 71 1HE LYS 71 6.590 13.887 -14.227 557 HE3 LYS 71 2HE LYS 71 7.751 12.577 -13.982 558 HZ1 LYS 71 3HZ LYS 71 5.739 13.425 -11.963 559 HZ2 LYS 71 1HZ LYS 71 6.760 12.145 -11.822 560 HZ3 LYS 71 2HZ LYS 71 5.581 12.131 -12.943 561 H LYS 72 H LYS 72 13.700 13.310 -13.758 562 HA LYS 72 HA LYS 72 14.114 11.578 -15.995 563 HB2 LYS 72 1HB LYS 72 15.808 13.109 -14.838 564 HB3 LYS 72 2HB LYS 72 15.907 11.920 -13.553 565 HG2 LYS 72 1HG LYS 72 16.736 10.223 -15.098 566 HG3 LYS 72 2HG LYS 72 16.441 11.273 -16.494 567 HD2 LYS 72 1HD LYS 72 18.178 12.819 -15.799 568 HD3 LYS 72 2HD LYS 72 18.383 11.980 -14.253 569 HE2 LYS 72 1HE LYS 72 18.975 9.883 -15.574 570 HE3 LYS 72 2HE LYS 72 18.995 10.884 -17.035 571 HZ1 LYS 72 3HZ LYS 72 20.742 12.239 -15.951 572 HZ2 LYS 72 1HZ LYS 72 21.214 10.682 -16.082 573 HZ3 LYS 72 2HZ LYS 72 20.708 11.253 -14.637 574 H LYS 73 H LYS 73 14.163 9.386 -16.201 575 HA LYS 73 HA LYS 73 13.115 7.702 -14.011 576 HB2 LYS 73 1HB LYS 73 13.747 7.178 -16.931 577 HB3 LYS 73 2HB LYS 73 13.280 5.896 -15.802 578 HG2 LYS 73 1HG LYS 73 11.137 6.892 -15.368 579 HG3 LYS 73 2HG LYS 73 11.586 8.389 -16.179 580 HD2 LYS 73 1HD LYS 73 10.088 7.113 -17.595 581 HD3 LYS 73 2HD LYS 73 11.681 7.234 -18.353 582 HE2 LYS 73 1HE LYS 73 12.226 4.934 -17.566 583 HE3 LYS 73 2HE LYS 73 10.638 4.823 -16.794 584 HZ1 LYS 73 3HZ LYS 73 11.095 5.167 -19.713 585 HZ2 LYS 73 1HZ LYS 73 9.628 5.055 -19.004 586 HZ3 LYS 73 2HZ LYS 73 10.640 3.776 -18.993 587 H TYR 74 H TYR 74 14.119 6.117 -12.968 588 HA TYR 74 HA TYR 74 17.067 5.784 -13.297 589 HB2 TYR 74 1HB TYR 74 15.503 6.647 -10.881 590 HB3 TYR 74 2HB TYR 74 16.869 5.563 -10.641 591 HD1 TYR 74 1HD TYR 74 15.917 8.907 -12.027 592 HD2 TYR 74 2HD TYR 74 19.112 6.245 -10.919 593 HE1 TYR 74 1HE TYR 74 17.581 10.633 -12.706 594 HE2 TYR 74 2HE TYR 74 20.788 7.946 -11.638 595 HH TYR 74 HH TYR 74 21.122 9.943 -12.630 596 H SER 75 H SER 75 17.937 3.835 -12.986 597 HA SER 75 HA SER 75 16.265 1.572 -13.537 598 HB2 SER 75 1HB SER 75 18.470 0.370 -13.508 599 HB3 SER 75 2HB SER 75 18.426 1.799 -14.554 600 HG SER 75 HG SER 75 20.319 1.795 -13.320 601 H ASP 76 H ASP 76 17.534 2.827 -10.567 602 HA ASP 76 HA ASP 76 16.249 0.698 -8.995 603 HB2 ASP 76 1HB ASP 76 18.743 0.101 -9.455 604 HB3 ASP 76 2HB ASP 76 19.139 1.472 -8.429 605 H VAL 77 H VAL 77 15.656 1.463 -6.893 606 HA VAL 77 HA VAL 77 15.374 4.303 -6.547 607 HB VAL 77 HB VAL 77 13.941 2.521 -5.481 608 HG11 VAL 77 1HG1 VAL 77 14.533 1.528 -3.376 609 HG12 VAL 77 2HG1 VAL 77 15.756 1.060 -4.566 610 HG13 VAL 77 3HG1 VAL 77 16.115 2.322 -3.363 611 HG21 VAL 77 3HG2 VAL 77 13.848 4.900 -4.806 612 HG22 VAL 77 1HG2 VAL 77 13.495 3.801 -3.461 613 HG23 VAL 77 2HG2 VAL 77 15.082 4.591 -3.565 614 H LYS 78 H LYS 78 17.927 2.043 -5.411 615 HA LYS 78 HA LYS 78 19.242 3.982 -3.702 616 HB2 LYS 78 1HB LYS 78 20.364 1.539 -5.136 617 HB3 LYS 78 2HB LYS 78 21.182 2.435 -3.861 618 HG2 LYS 78 1HG LYS 78 18.569 0.888 -3.541 619 HG3 LYS 78 2HG LYS 78 20.172 0.367 -3.021 620 HD2 LYS 78 1HD LYS 78 20.289 2.336 -1.474 621 HD3 LYS 78 2HD LYS 78 18.622 2.760 -1.930 622 HE2 LYS 78 1HE LYS 78 17.836 0.548 -1.150 623 HE3 LYS 78 2HE LYS 78 19.491 0.105 -0.710 624 HZ1 LYS 78 3HZ LYS 78 17.950 2.342 0.502 625 HZ2 LYS 78 1HZ LYS 78 19.481 1.933 0.905 626 HZ3 LYS 78 2HZ LYS 78 18.254 0.908 1.217 627 H ASN 79 H ASN 79 19.468 3.363 -7.171 628 HA ASN 79 HA ASN 79 21.718 5.170 -7.567 629 HB2 ASN 79 1HB ASN 79 19.632 4.055 -9.509 630 HB3 ASN 79 2HB ASN 79 21.043 4.990 -9.989 631 HD21 ASN 79 1HD2 ASN 79 20.571 2.408 -11.029 632 HD22 ASN 79 2HD2 ASN 79 21.849 1.382 -10.401 633 H LEU 80 H LEU 80 18.174 5.532 -7.622 634 HA LEU 80 HA LEU 80 18.099 8.221 -8.524 635 HB2 LEU 80 1HB LEU 80 16.142 6.681 -8.388 636 HB3 LEU 80 2HB LEU 80 16.257 6.750 -6.624 637 HG LEU 80 HG LEU 80 15.716 9.125 -6.606 638 HD11 LEU 80 1HD1 LEU 80 14.993 10.290 -8.595 639 HD12 LEU 80 2HD1 LEU 80 15.296 8.859 -9.608 640 HD13 LEU 80 3HD1 LEU 80 16.639 9.749 -8.855 641 HD21 LEU 80 3HD2 LEU 80 13.383 8.950 -7.273 642 HD22 LEU 80 1HD2 LEU 80 13.903 7.435 -6.514 643 HD23 LEU 80 2HD2 LEU 80 13.745 7.538 -8.284 644 H ILE 81 H ILE 81 18.436 6.915 -5.178 645 HA ILE 81 HA ILE 81 18.291 9.397 -3.812 646 HB ILE 81 HB ILE 81 20.133 7.137 -2.989 647 HG12 ILE 81 1HG1 ILE 81 18.187 5.992 -3.357 648 HG13 ILE 81 2HG1 ILE 81 18.267 6.233 -1.666 649 HG21 ILE 81 1HG2 ILE 81 19.571 7.943 -0.694 650 HG22 ILE 81 2HG2 ILE 81 20.395 9.170 -1.661 651 HG23 ILE 81 3HG2 ILE 81 18.639 9.276 -1.413 652 HD11 ILE 81 3HD1 ILE 81 16.610 8.115 -1.828 653 HD12 ILE 81 1HD1 ILE 81 16.446 7.765 -3.564 654 HD13 ILE 81 2HD1 ILE 81 15.971 6.552 -2.365 655 H LYS 82 H LYS 82 21.153 7.734 -5.161 656 HA LYS 82 HA LYS 82 23.043 9.754 -4.439 657 HB2 LYS 82 1HB LYS 82 23.555 7.395 -5.102 658 HB3 LYS 82 2HB LYS 82 23.153 7.786 -6.783 659 HG2 LYS 82 1HG LYS 82 24.974 9.462 -6.836 660 HG3 LYS 82 2HG LYS 82 25.368 9.118 -5.147 661 HD2 LYS 82 1HD LYS 82 25.532 7.114 -7.447 662 HD3 LYS 82 2HD LYS 82 26.895 8.035 -6.793 663 HE2 LYS 82 1HE LYS 82 26.517 6.990 -4.556 664 HE3 LYS 82 2HE LYS 82 25.209 6.018 -5.242 665 HZ1 LYS 82 3HZ LYS 82 28.050 5.906 -6.110 666 HZ2 LYS 82 1HZ LYS 82 26.840 5.008 -6.749 667 HZ3 LYS 82 2HZ LYS 82 27.296 4.783 -5.199 668 H HIS 83 H HIS 83 21.080 9.439 -7.431 669 HA HIS 83 HA HIS 83 22.044 11.830 -8.725 670 HB2 HIS 83 1HB HIS 83 20.746 10.305 -9.995 671 HB3 HIS 83 2HB HIS 83 19.441 10.268 -8.821 672 HD1 HIS 83 1HD HIS 83 20.883 12.679 -11.462 673 HD2 HIS 83 2HD HIS 83 17.513 12.044 -9.035 674 HE1 HIS 83 1HE HIS 83 19.153 14.361 -12.241 675 H ILE 84 H ILE 84 19.333 11.436 -6.389 676 HA ILE 84 HA ILE 84 18.669 14.222 -6.304 677 HB ILE 84 HB ILE 84 18.292 11.916 -4.387 678 HG12 ILE 84 1HG1 ILE 84 16.240 13.527 -5.965 679 HG13 ILE 84 2HG1 ILE 84 17.058 12.126 -6.644 680 HG21 ILE 84 1HG2 ILE 84 17.319 14.777 -4.007 681 HG22 ILE 84 2HG2 ILE 84 16.736 13.377 -3.083 682 HG23 ILE 84 3HG2 ILE 84 18.415 13.868 -2.937 683 HD11 ILE 84 3HD1 ILE 84 16.235 10.725 -4.769 684 HD12 ILE 84 1HD1 ILE 84 15.254 12.101 -4.210 685 HD13 ILE 84 2HD1 ILE 84 14.952 11.393 -5.811 686 H ARG 85 H ARG 85 20.939 12.345 -4.281 687 HA ARG 85 HA ARG 85 21.919 14.621 -2.806 688 HB2 ARG 85 1HB ARG 85 23.093 11.867 -3.372 689 HB3 ARG 85 2HB ARG 85 23.877 13.060 -2.333 690 HG2 ARG 85 1HG ARG 85 21.724 13.258 -1.030 691 HG3 ARG 85 2HG ARG 85 21.094 11.864 -1.888 692 HD2 ARG 85 1HD ARG 85 22.633 10.391 -0.894 693 HD3 ARG 85 2HD ARG 85 23.751 11.682 -0.442 694 HE ARG 85 HE ARG 85 21.432 10.768 1.072 695 HH11 ARG 85 2HH2 ARG 85 23.567 13.572 0.665 696 HH12 ARG 85 1HH2 ARG 85 23.007 14.234 2.208 697 HH21 ARG 85 2HH1 ARG 85 20.896 11.810 3.048 698 HH22 ARG 85 1HH1 ARG 85 21.690 13.352 3.387 699 H ASP 86 H ASP 86 22.725 13.685 -6.034 700 HA ASP 86 HA ASP 86 25.164 15.388 -6.026 701 HB2 ASP 86 1HB ASP 86 23.944 13.489 -8.053 702 HB3 ASP 86 2HB ASP 86 25.299 14.551 -8.400 703 H ALA 87 H ALA 87 21.926 15.356 -7.544 704 HA ALA 87 HA ALA 87 22.508 17.947 -8.889 705 HB1 ALA 87 1HB ALA 87 21.826 16.002 -10.246 706 HB2 ALA 87 2HB ALA 87 20.307 15.889 -9.326 707 HB3 ALA 87 3HB ALA 87 20.635 17.314 -10.332 708 H HIS 88 H HIS 88 20.389 16.613 -6.396 709 HA HIS 88 HA HIS 88 18.943 19.217 -6.131 710 HB2 HIS 88 1HB HIS 88 17.758 16.455 -5.744 711 HB3 HIS 88 2HB HIS 88 16.925 17.994 -5.838 712 HD1 HIS 88 1HD HIS 88 17.535 19.150 -8.582 713 HD2 HIS 88 2HD HIS 88 17.316 15.034 -7.780 714 HE1 HIS 88 1HE HIS 88 17.008 18.035 -10.811 715 H ASP 89 H ASP 89 21.267 18.296 -4.615 716 HA ASP 89 HA ASP 89 20.755 16.824 -2.419 717 HB2 ASP 89 1HB ASP 89 22.862 17.295 -1.657 718 HB3 ASP 89 2HB ASP 89 22.969 17.627 -3.381 719 HA PRO 90 HA PRO 90 18.603 19.358 0.522 720 HB2 PRO 90 1HB PRO 90 18.372 17.645 2.606 721 HB3 PRO 90 2HB PRO 90 17.691 17.237 1.001 722 HG2 PRO 90 1HG PRO 90 20.386 16.401 2.141 723 HG3 PRO 90 2HG PRO 90 19.121 15.347 1.432 724 HD2 PRO 90 1HD PRO 90 21.245 16.306 -0.027 725 HD3 PRO 90 2HD PRO 90 19.627 16.037 -0.742 726 H GLN 91 H GLN 91 21.795 19.212 0.654 727 HA GLN 91 HA GLN 91 23.530 19.714 1.984 728 HB2 GLN 91 1HB GLN 91 22.273 21.911 1.553 729 HB3 GLN 91 2HB GLN 91 21.811 21.855 3.255 730 HG2 GLN 91 1HG GLN 91 24.240 21.814 3.880 731 HG3 GLN 91 2HG GLN 91 24.670 21.815 2.168 732 HE21 GLN 91 1HE2 GLN 91 24.060 23.788 0.870 733 HE22 GLN 91 2HE2 GLN 91 23.924 25.316 1.730 734 H ASP 92 H ASP 92 22.202 17.517 2.947 735 HA ASP 92 HA ASP 92 22.867 17.492 5.836 736 HB2 ASP 92 1HB ASP 92 20.465 18.014 5.722 737 HB3 ASP 92 2HB ASP 92 20.190 16.621 4.682 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 1.156 21.786 36.077 2 H2 GLY 1 2H GLY 1 1.453 23.109 36.993 3 H3 GLY 1 3H GLY 1 -0.090 22.699 36.625 4 HA2 GLY 1 1HA GLY 1 0.374 22.107 38.902 5 HA3 GLY 1 2HA GLY 1 0.073 20.671 37.907 6 H SER 2 H SER 2 1.259 19.410 39.454 7 HA SER 2 HA SER 2 4.087 19.889 39.964 8 HB2 SER 2 1HB SER 2 3.946 17.691 41.126 9 HB3 SER 2 2HB SER 2 2.776 18.892 41.691 10 HG SER 2 HG SER 2 1.824 16.819 41.375 11 H SER 3 H SER 3 5.783 18.330 39.508 12 HA SER 3 HA SER 3 5.845 17.517 36.709 13 HB2 SER 3 1HB SER 3 8.193 16.877 37.255 14 HB3 SER 3 2HB SER 3 7.788 18.566 37.601 15 HG SER 3 HG SER 3 8.966 17.577 39.315 16 H GLY 4 H GLY 4 6.459 15.421 35.947 17 HA2 GLY 4 1HA GLY 4 4.963 13.234 37.104 18 HA3 GLY 4 2HA GLY 4 6.021 13.158 35.699 19 H SER 5 H SER 5 5.726 11.212 37.854 20 HA SER 5 HA SER 5 8.060 11.342 39.581 21 HB2 SER 5 1HB SER 5 7.295 9.086 40.290 22 HB3 SER 5 2HB SER 5 6.045 10.334 40.397 23 HG SER 5 HG SER 5 5.266 8.391 39.433 24 H SER 6 H SER 6 7.609 10.185 36.355 25 HA SER 6 HA SER 6 10.392 9.209 36.284 26 HB2 SER 6 1HB SER 6 9.763 7.159 35.059 27 HB3 SER 6 2HB SER 6 9.159 7.176 36.723 28 HG SER 6 HG SER 6 7.522 6.483 35.350 29 H GLY 7 H GLY 7 11.395 9.340 34.280 30 HA2 GLY 7 1HA GLY 7 10.418 11.450 32.566 31 HA3 GLY 7 2HA GLY 7 11.921 10.544 32.391 32 H LYS 8 H LYS 8 10.316 7.967 32.282 33 HA LYS 8 HA LYS 8 9.696 6.495 30.632 34 HB2 LYS 8 1HB LYS 8 7.644 8.688 30.376 35 HB3 LYS 8 2HB LYS 8 7.470 7.110 29.597 36 HG2 LYS 8 1HG LYS 8 7.479 5.934 31.679 37 HG3 LYS 8 2HG LYS 8 7.937 7.366 32.593 38 HD2 LYS 8 1HD LYS 8 5.307 7.143 31.075 39 HD3 LYS 8 2HD LYS 8 5.518 6.678 32.774 40 HE2 LYS 8 1HE LYS 8 6.337 8.969 33.306 41 HE3 LYS 8 2HE LYS 8 6.053 9.457 31.631 42 HZ1 LYS 8 3HZ LYS 8 3.957 8.513 33.517 43 HZ2 LYS 8 1HZ LYS 8 3.684 8.950 31.964 44 HZ3 LYS 8 2HZ LYS 8 4.182 10.060 33.050 45 HA PRO 9 HA PRO 9 11.918 8.880 27.262 46 HB2 PRO 9 1HB PRO 9 14.093 7.157 26.995 47 HB3 PRO 9 2HB PRO 9 13.975 8.488 28.167 48 HG2 PRO 9 1HG PRO 9 13.426 5.597 28.693 49 HG3 PRO 9 2HG PRO 9 14.437 6.728 29.640 50 HD2 PRO 9 1HD PRO 9 11.864 6.238 30.338 51 HD3 PRO 9 2HD PRO 9 12.546 7.879 30.460 52 H TYR 10 H TYR 10 11.093 5.448 27.490 53 HA TYR 10 HA TYR 10 11.503 5.000 24.643 54 HB2 TYR 10 1HB TYR 10 10.258 3.237 26.763 55 HB3 TYR 10 2HB TYR 10 10.634 2.773 25.106 56 HD1 TYR 10 1HD TYR 10 12.114 3.777 28.366 57 HD2 TYR 10 2HD TYR 10 12.922 2.374 24.370 58 HE1 TYR 10 1HE TYR 10 14.408 3.166 29.058 59 HE2 TYR 10 2HE TYR 10 15.263 1.831 25.047 60 HH TYR 10 HH TYR 10 16.443 2.312 28.397 61 H LYS 11 H LYS 11 10.229 6.228 23.475 62 HA LYS 11 HA LYS 11 7.282 6.443 23.879 63 HB2 LYS 11 1HB LYS 11 9.316 7.967 22.227 64 HB3 LYS 11 2HB LYS 11 7.627 7.972 21.754 65 HG2 LYS 11 1HG LYS 11 7.977 9.921 23.002 66 HG3 LYS 11 2HG LYS 11 6.959 8.851 23.961 67 HD2 LYS 11 1HD LYS 11 8.893 8.269 25.390 68 HD3 LYS 11 2HD LYS 11 9.959 9.257 24.358 69 HE2 LYS 11 1HE LYS 11 8.606 11.266 24.886 70 HE3 LYS 11 2HE LYS 11 7.549 10.287 25.918 71 HZ1 LYS 11 3HZ LYS 11 9.453 9.834 27.334 72 HZ2 LYS 11 1HZ LYS 11 9.209 11.447 27.230 73 HZ3 LYS 11 2HZ LYS 11 10.437 10.767 26.394 74 H CYS 12 H CYS 12 5.741 5.883 22.378 75 HA CYS 12 HA CYS 12 6.358 3.741 20.521 76 HB2 CYS 12 1HB CYS 12 4.412 3.718 21.927 77 HB3 CYS 12 2HB CYS 12 3.822 5.227 21.215 78 HA PRO 13 HA PRO 13 6.717 6.660 17.040 79 HB2 PRO 13 1HB PRO 13 7.183 4.856 15.047 80 HB3 PRO 13 2HB PRO 13 8.398 5.253 16.300 81 HG2 PRO 13 1HG PRO 13 6.578 2.855 16.132 82 HG3 PRO 13 2HG PRO 13 8.298 2.921 16.604 83 HD2 PRO 13 1HD PRO 13 6.129 2.906 18.396 84 HD3 PRO 13 2HD PRO 13 7.765 3.509 18.784 85 H GLN 14 H GLN 14 4.211 4.463 17.745 86 HA GLN 14 HA GLN 14 2.659 5.095 15.271 87 HB2 GLN 14 1HB GLN 14 2.237 2.764 17.164 88 HB3 GLN 14 2HB GLN 14 1.535 3.026 15.567 89 HG2 GLN 14 1HG GLN 14 3.992 3.060 14.727 90 HG3 GLN 14 2HG GLN 14 4.410 2.387 16.300 91 HE21 GLN 14 1HE2 GLN 14 4.062 0.176 16.694 92 HE22 GLN 14 2HE2 GLN 14 3.475 -0.898 15.434 93 H CYS 15 H CYS 15 2.550 5.342 18.793 94 HA CYS 15 HA CYS 15 0.275 7.201 18.489 95 HB2 CYS 15 1HB CYS 15 -1.120 6.163 20.151 96 HB3 CYS 15 2HB CYS 15 -0.783 5.004 18.875 97 H SER 16 H SER 16 -0.312 7.901 20.973 98 HA SER 16 HA SER 16 1.938 9.518 21.766 99 HB2 SER 16 1HB SER 16 -0.755 9.170 23.131 100 HB3 SER 16 2HB SER 16 0.392 10.502 23.373 101 HG SER 16 HG SER 16 -1.278 11.059 21.897 102 H TYR 17 H TYR 17 1.500 6.342 22.544 103 HA TYR 17 HA TYR 17 1.795 6.175 25.356 104 HB2 TYR 17 1HB TYR 17 1.099 4.331 23.961 105 HB3 TYR 17 2HB TYR 17 2.611 4.343 23.082 106 HD1 TYR 17 1HD TYR 17 0.971 3.565 26.335 107 HD2 TYR 17 2HD TYR 17 4.588 3.189 24.008 108 HE1 TYR 17 1HE TYR 17 1.793 1.786 27.879 109 HE2 TYR 17 2HE TYR 17 5.378 1.388 25.523 110 HH TYR 17 HH TYR 17 4.786 -0.041 27.216 111 H ALA 18 H ALA 18 3.492 5.847 26.725 112 HA ALA 18 HA ALA 18 6.218 5.645 25.762 113 HB1 ALA 18 1HB ALA 18 7.108 7.478 27.110 114 HB2 ALA 18 2HB ALA 18 5.929 8.115 25.949 115 HB3 ALA 18 3HB ALA 18 5.478 7.918 27.658 116 H SER 19 H SER 19 7.652 4.735 27.291 117 HA SER 19 HA SER 19 6.690 4.184 30.034 118 HB2 SER 19 1HB SER 19 6.054 2.229 28.517 119 HB3 SER 19 2HB SER 19 7.791 1.919 28.346 120 HG SER 19 HG SER 19 6.176 1.902 30.699 121 H ALA 20 H ALA 20 8.420 3.214 31.400 122 HA ALA 20 HA ALA 20 10.988 4.580 30.946 123 HB1 ALA 20 1HB ALA 20 9.900 3.136 33.383 124 HB2 ALA 20 2HB ALA 20 11.366 4.141 33.315 125 HB3 ALA 20 3HB ALA 20 9.777 4.885 33.066 126 H ILE 21 H ILE 21 9.888 1.633 30.010 127 HA ILE 21 HA ILE 21 12.537 0.269 30.300 128 HB ILE 21 HB ILE 21 9.772 -0.917 30.719 129 HG12 ILE 21 1HG1 ILE 21 12.014 -0.341 32.713 130 HG13 ILE 21 2HG1 ILE 21 10.433 0.439 32.654 131 HG21 ILE 21 1HG2 ILE 21 11.303 -2.534 29.671 132 HG22 ILE 21 2HG2 ILE 21 12.492 -2.270 30.968 133 HG23 ILE 21 3HG2 ILE 21 10.906 -3.013 31.294 134 HD11 ILE 21 3HD1 ILE 21 9.362 -1.774 33.181 135 HD12 ILE 21 1HD1 ILE 21 10.997 -2.419 33.480 136 HD13 ILE 21 2HD1 ILE 21 10.378 -1.085 34.461 137 H LYS 22 H LYS 22 13.302 -0.645 28.457 138 HA LYS 22 HA LYS 22 12.084 -0.193 25.915 139 HB2 LYS 22 1HB LYS 22 14.516 -0.469 26.385 140 HB3 LYS 22 2HB LYS 22 14.261 -2.210 26.574 141 HG2 LYS 22 1HG LYS 22 13.558 -2.436 24.265 142 HG3 LYS 22 2HG LYS 22 13.374 -0.687 24.081 143 HD2 LYS 22 1HD LYS 22 15.361 -1.424 22.934 144 HD3 LYS 22 2HD LYS 22 15.784 -0.361 24.284 145 HE2 LYS 22 1HE LYS 22 16.376 -2.324 25.670 146 HE3 LYS 22 2HE LYS 22 15.904 -3.411 24.354 147 HZ1 LYS 22 3HZ LYS 22 18.305 -3.043 24.383 148 HZ2 LYS 22 1HZ LYS 22 18.119 -1.431 24.219 149 HZ3 LYS 22 2HZ LYS 22 17.686 -2.434 23.003 150 H ALA 23 H ALA 23 12.127 -3.158 27.912 151 HA ALA 23 HA ALA 23 10.713 -4.855 26.138 152 HB1 ALA 23 1HB ALA 23 10.237 -6.187 28.135 153 HB2 ALA 23 2HB ALA 23 11.913 -5.609 28.164 154 HB3 ALA 23 3HB ALA 23 10.680 -4.830 29.187 155 H ASN 24 H ASN 24 9.423 -2.394 28.402 156 HA ASN 24 HA ASN 24 6.639 -3.114 27.956 157 HB2 ASN 24 1HB ASN 24 7.990 -0.591 29.035 158 HB3 ASN 24 2HB ASN 24 6.257 -0.806 28.957 159 HD21 ASN 24 1HD2 ASN 24 7.061 -0.170 31.283 160 HD22 ASN 24 2HD2 ASN 24 7.057 -1.552 32.386 161 H LEU 25 H LEU 25 8.928 -1.075 26.180 162 HA LEU 25 HA LEU 25 6.814 -0.038 24.430 163 HB2 LEU 25 1HB LEU 25 8.808 1.287 24.758 164 HB3 LEU 25 2HB LEU 25 9.836 -0.021 24.164 165 HG LEU 25 HG LEU 25 8.807 0.151 21.925 166 HD11 LEU 25 1HD1 LEU 25 7.377 2.065 21.352 167 HD12 LEU 25 2HD1 LEU 25 7.262 2.524 23.066 168 HD13 LEU 25 3HD1 LEU 25 6.552 1.003 22.482 169 HD21 LEU 25 3HD2 LEU 25 10.814 1.489 22.502 170 HD22 LEU 25 1HD2 LEU 25 9.753 2.851 22.943 171 HD23 LEU 25 2HD2 LEU 25 9.800 2.264 21.272 172 H ASN 26 H ASN 26 9.296 -2.658 24.159 173 HA ASN 26 HA ASN 26 8.600 -3.644 21.618 174 HB2 ASN 26 1HB ASN 26 9.245 -5.295 24.111 175 HB3 ASN 26 2HB ASN 26 9.328 -5.875 22.460 176 HD21 ASN 26 1HD2 ASN 26 11.332 -6.080 24.287 177 HD22 ASN 26 2HD2 ASN 26 12.718 -5.159 23.683 178 H VAL 27 H VAL 27 7.120 -4.536 24.766 179 HA VAL 27 HA VAL 27 5.277 -6.387 23.675 180 HB VAL 27 HB VAL 27 6.111 -5.898 26.128 181 HG11 VAL 27 1HG1 VAL 27 4.502 -5.054 27.647 182 HG12 VAL 27 2HG1 VAL 27 4.927 -3.794 26.489 183 HG13 VAL 27 3HG1 VAL 27 3.371 -4.651 26.338 184 HG21 VAL 27 3HG2 VAL 27 4.301 -7.390 26.901 185 HG22 VAL 27 1HG2 VAL 27 3.417 -7.047 25.384 186 HG23 VAL 27 2HG2 VAL 27 4.995 -7.890 25.345 187 H HIS 28 H HIS 28 5.021 -2.978 24.261 188 HA HIS 28 HA HIS 28 2.246 -2.675 23.770 189 HB2 HIS 28 1HB HIS 28 3.535 -1.066 24.999 190 HB3 HIS 28 2HB HIS 28 4.605 -0.766 23.637 191 HD1 HIS 28 1HD HIS 28 1.023 0.115 24.696 192 HD2 HIS 28 2HD HIS 28 3.836 0.777 21.642 193 HE1 HIS 28 1HE HIS 28 -0.008 1.864 23.174 194 H LEU 29 H LEU 29 5.044 -2.548 21.564 195 HA LEU 29 HA LEU 29 3.633 -1.599 19.255 196 HB2 LEU 29 1HB LEU 29 6.134 -3.293 19.500 197 HB3 LEU 29 2HB LEU 29 5.593 -2.558 17.999 198 HG LEU 29 HG LEU 29 6.222 -0.888 20.451 199 HD11 LEU 29 1HD1 LEU 29 8.051 -1.615 18.129 200 HD12 LEU 29 2HD1 LEU 29 8.235 -2.169 19.810 201 HD13 LEU 29 3HD1 LEU 29 8.417 -0.452 19.425 202 HD21 LEU 29 3HD2 LEU 29 4.903 0.285 18.770 203 HD22 LEU 29 1HD2 LEU 29 6.073 -0.199 17.497 204 HD23 LEU 29 2HD2 LEU 29 6.564 0.881 18.811 205 H ARG 30 H ARG 30 3.768 -4.782 20.670 206 HA ARG 30 HA ARG 30 2.895 -6.369 18.461 207 HB2 ARG 30 1HB ARG 30 2.179 -6.698 21.409 208 HB3 ARG 30 2HB ARG 30 1.994 -7.922 20.167 209 HG2 ARG 30 1HG ARG 30 4.455 -7.967 19.803 210 HG3 ARG 30 2HG ARG 30 4.656 -6.718 21.037 211 HD2 ARG 30 1HD ARG 30 5.152 -8.820 22.060 212 HD3 ARG 30 2HD ARG 30 3.622 -8.222 22.727 213 HE ARG 30 HE ARG 30 3.186 -9.979 20.460 214 HH11 ARG 30 2HH1 ARG 30 3.980 -10.159 23.870 215 HH12 ARG 30 1HH1 ARG 30 3.307 -11.758 24.031 216 HH21 ARG 30 2HH2 ARG 30 2.341 -12.012 20.741 217 HH22 ARG 30 1HH2 ARG 30 2.413 -12.774 22.302 218 H LYS 31 H LYS 31 1.047 -4.277 20.629 219 HA LYS 31 HA LYS 31 -1.595 -5.172 19.895 220 HB2 LYS 31 1HB LYS 31 -0.821 -2.417 20.943 221 HB3 LYS 31 2HB LYS 31 -2.385 -3.236 21.093 222 HG2 LYS 31 1HG LYS 31 -1.238 -5.008 22.488 223 HG3 LYS 31 2HG LYS 31 0.243 -4.035 22.399 224 HD2 LYS 31 1HD LYS 31 -1.175 -2.089 23.370 225 HD3 LYS 31 2HD LYS 31 -2.374 -3.351 23.772 226 HE2 LYS 31 1HE LYS 31 -0.448 -4.655 24.814 227 HE3 LYS 31 2HE LYS 31 0.570 -3.243 24.522 228 HZ1 LYS 31 3HZ LYS 31 -0.324 -3.237 26.808 229 HZ2 LYS 31 1HZ LYS 31 -1.857 -3.296 26.263 230 HZ3 LYS 31 2HZ LYS 31 -0.954 -1.964 25.999 231 H HIS 32 H HIS 32 0.567 -2.843 18.510 232 HA HIS 32 HA HIS 32 -1.354 -1.711 16.630 233 HB2 HIS 32 1HB HIS 32 1.676 -1.540 16.765 234 HB3 HIS 32 2HB HIS 32 0.682 -0.678 15.599 235 HD1 HIS 32 1HD HIS 32 -1.399 0.857 16.958 236 HD2 HIS 32 2HD HIS 32 2.281 -0.014 18.798 237 HE1 HIS 32 1HE HIS 32 -1.117 2.591 18.782 238 H THR 33 H THR 33 0.029 -4.803 16.579 239 HA THR 33 HA THR 33 0.107 -5.046 13.638 240 HB THR 33 HB THR 33 0.488 -7.370 13.917 241 HG1 THR 33 1HG THR 33 0.191 -7.030 16.715 242 HG21 THR 33 3HG2 THR 33 2.439 -5.916 14.242 243 HG22 THR 33 1HG2 THR 33 2.559 -7.415 15.181 244 HG23 THR 33 2HG2 THR 33 2.148 -5.889 15.994 245 H GLY 34 H GLY 34 -1.282 -6.791 12.566 246 HA2 GLY 34 1HA GLY 34 -3.313 -7.862 12.219 247 HA3 GLY 34 2HA GLY 34 -3.961 -7.186 13.709 248 H GLU 35 H GLU 35 -2.665 -4.606 12.091 249 HA GLU 35 HA GLU 35 -5.201 -3.720 10.839 250 HB2 GLU 35 1HB GLU 35 -3.934 -2.183 12.281 251 HB3 GLU 35 2HB GLU 35 -2.507 -2.350 11.257 252 HG2 GLU 35 1HG GLU 35 -3.607 -1.237 9.410 253 HG3 GLU 35 2HG GLU 35 -5.165 -1.293 10.236 254 H LYS 36 H LYS 36 -5.434 -3.171 8.679 255 HA LYS 36 HA LYS 36 -3.885 -4.811 6.791 256 HB2 LYS 36 1HB LYS 36 -6.315 -3.030 6.590 257 HB3 LYS 36 2HB LYS 36 -5.464 -3.576 5.146 258 HG2 LYS 36 1HG LYS 36 -6.045 -5.760 7.100 259 HG3 LYS 36 2HG LYS 36 -7.473 -4.979 6.438 260 HD2 LYS 36 1HD LYS 36 -6.638 -5.348 4.130 261 HD3 LYS 36 2HD LYS 36 -5.152 -6.076 4.774 262 HE2 LYS 36 1HE LYS 36 -6.347 -7.966 5.648 263 HE3 LYS 36 2HE LYS 36 -7.916 -7.216 5.321 264 HZ1 LYS 36 3HZ LYS 36 -7.205 -8.878 3.611 265 HZ2 LYS 36 1HZ LYS 36 -5.982 -7.879 3.151 266 HZ3 LYS 36 2HZ LYS 36 -7.526 -7.409 2.979 267 H PHE 37 H PHE 37 -1.987 -4.255 6.364 268 HA PHE 37 HA PHE 37 -1.349 -1.492 5.428 269 HB2 PHE 37 1HB PHE 37 0.583 -3.797 5.771 270 HB3 PHE 37 2HB PHE 37 0.926 -2.070 5.618 271 HD1 PHE 37 2HD PHE 37 0.394 -0.511 7.527 272 HD2 PHE 37 1HD PHE 37 0.074 -4.792 7.869 273 HE1 PHE 37 2HE PHE 37 0.359 -0.313 9.996 274 HE2 PHE 37 1HE PHE 37 0.054 -4.602 10.329 275 HZ PHE 37 HZ PHE 37 0.123 -2.354 11.415 276 H ALA 38 H ALA 38 -1.573 -1.117 3.331 277 HA ALA 38 HA ALA 38 -1.599 -3.302 1.342 278 HB1 ALA 38 1HB ALA 38 -3.400 -1.591 1.336 279 HB2 ALA 38 2HB ALA 38 -2.179 -0.333 1.025 280 HB3 ALA 38 3HB ALA 38 -2.473 -1.605 -0.179 281 H CYS 39 H CYS 39 -0.248 -3.479 -0.470 282 HA CYS 39 HA CYS 39 2.428 -2.416 -0.273 283 HB2 CYS 39 1HB CYS 39 1.884 -4.594 -1.110 284 HB3 CYS 39 2HB CYS 39 0.863 -3.929 -2.379 285 H ASP 40 H ASP 40 3.427 -0.888 -1.423 286 HA ASP 40 HA ASP 40 1.783 1.297 -2.528 287 HB2 ASP 40 1HB ASP 40 3.705 1.647 -0.932 288 HB3 ASP 40 2HB ASP 40 4.799 1.119 -2.208 289 H TYR 41 H TYR 41 3.022 -1.541 -3.767 290 HA TYR 41 HA TYR 41 3.607 -0.395 -6.485 291 HB2 TYR 41 1HB TYR 41 4.785 -2.821 -5.095 292 HB3 TYR 41 2HB TYR 41 5.125 -2.304 -6.729 293 HD1 TYR 41 2HD TYR 41 5.514 -1.579 -3.143 294 HD2 TYR 41 1HD TYR 41 6.657 -0.413 -7.128 295 HE1 TYR 41 2HE TYR 41 7.353 -0.165 -2.200 296 HE2 TYR 41 1HE TYR 41 8.508 0.977 -6.191 297 HH TYR 41 HH TYR 41 9.104 1.245 -2.673 298 H CYS 42 H CYS 42 1.830 -2.870 -4.727 299 HA CYS 42 HA CYS 42 0.234 -3.325 -7.172 300 HB2 CYS 42 1HB CYS 42 0.180 -5.740 -6.948 301 HB3 CYS 42 2HB CYS 42 1.829 -5.169 -7.229 302 H SER 43 H SER 43 -1.663 -4.928 -6.532 303 HA SER 43 HA SER 43 -3.287 -3.576 -4.562 304 HB2 SER 43 1HB SER 43 -3.852 -6.133 -6.103 305 HB3 SER 43 2HB SER 43 -5.040 -5.116 -5.266 306 HG SER 43 HG SER 43 -4.960 -4.676 -7.520 307 H PHE 44 H PHE 44 -0.855 -5.658 -3.844 308 HA PHE 44 HA PHE 44 -2.019 -7.640 -2.205 309 HB2 PHE 44 1HB PHE 44 0.233 -7.751 -2.944 310 HB3 PHE 44 2HB PHE 44 0.682 -6.288 -2.093 311 HD1 PHE 44 2HD PHE 44 -0.421 -9.832 -1.603 312 HD2 PHE 44 1HD PHE 44 1.492 -6.394 0.154 313 HE1 PHE 44 2HE PHE 44 0.318 -11.220 0.325 314 HE2 PHE 44 1HE PHE 44 2.263 -7.799 2.066 315 HZ PHE 44 HZ PHE 44 1.659 -10.198 2.155 316 H THR 45 H THR 45 -2.312 -7.801 -0.013 317 HA THR 45 HA THR 45 -1.877 -5.514 1.750 318 HB THR 45 HB THR 45 -3.996 -5.734 2.881 319 HG1 THR 45 1HG THR 45 -4.841 -7.302 0.687 320 HG21 THR 45 3HG2 THR 45 -4.319 -5.048 -0.050 321 HG22 THR 45 1HG2 THR 45 -3.754 -3.992 1.265 322 HG23 THR 45 2HG2 THR 45 -5.428 -4.580 1.270 323 H CYS 46 H CYS 46 -1.793 -5.995 3.921 324 HA CYS 46 HA CYS 46 -1.548 -8.860 4.715 325 HB2 CYS 46 1HB CYS 46 0.624 -8.011 3.700 326 HB3 CYS 46 2HB CYS 46 0.713 -6.837 5.024 327 HG CYS 46 HG CYS 46 2.229 -8.493 5.955 328 H LEU 47 H LEU 47 -1.526 -9.227 6.951 329 HA LEU 47 HA LEU 47 -2.613 -7.089 8.681 330 HB2 LEU 47 1HB LEU 47 -2.148 -10.038 9.229 331 HB3 LEU 47 2HB LEU 47 -2.998 -8.906 10.273 332 HG LEU 47 HG LEU 47 -3.904 -9.856 7.526 333 HD11 LEU 47 1HD1 LEU 47 -5.079 -10.259 10.305 334 HD12 LEU 47 2HD1 LEU 47 -4.182 -11.476 9.368 335 HD13 LEU 47 3HD1 LEU 47 -5.742 -10.881 8.777 336 HD21 LEU 47 3HD2 LEU 47 -5.239 -7.872 9.415 337 HD22 LEU 47 1HD2 LEU 47 -6.006 -8.606 7.992 338 HD23 LEU 47 2HD2 LEU 47 -4.620 -7.528 7.785 339 H SER 48 H SER 48 0.439 -7.974 7.805 340 HA SER 48 HA SER 48 1.648 -6.848 10.289 341 HB2 SER 48 1HB SER 48 2.051 -9.214 10.455 342 HB3 SER 48 2HB SER 48 2.589 -9.300 8.766 343 HG SER 48 HG SER 48 4.283 -9.148 10.451 344 H LYS 49 H LYS 49 2.685 -5.145 9.914 345 HA LYS 49 HA LYS 49 3.479 -4.051 7.416 346 HB2 LYS 49 1HB LYS 49 4.821 -2.535 8.814 347 HB3 LYS 49 2HB LYS 49 3.119 -2.642 9.295 348 HG2 LYS 49 1HG LYS 49 3.936 -4.259 11.151 349 HG3 LYS 49 2HG LYS 49 5.571 -3.751 10.717 350 HD2 LYS 49 1HD LYS 49 3.300 -2.015 11.769 351 HD3 LYS 49 2HD LYS 49 4.779 -2.479 12.620 352 HE2 LYS 49 1HE LYS 49 6.102 -1.219 10.860 353 HE3 LYS 49 2HE LYS 49 4.568 -0.666 10.176 354 HZ1 LYS 49 3HZ LYS 49 5.399 0.993 11.682 355 HZ2 LYS 49 1HZ LYS 49 5.575 -0.076 12.902 356 HZ3 LYS 49 2HZ LYS 49 4.077 0.338 12.397 357 H GLY 50 H GLY 50 5.178 -6.195 9.630 358 HA2 GLY 50 1HA GLY 50 7.816 -5.858 8.451 359 HA3 GLY 50 2HA GLY 50 7.277 -7.065 9.616 360 H HIS 51 H HIS 51 5.139 -8.237 8.023 361 HA HIS 51 HA HIS 51 6.605 -9.802 6.045 362 HB2 HIS 51 1HB HIS 51 4.714 -10.710 7.370 363 HB3 HIS 51 2HB HIS 51 3.631 -9.579 6.554 364 HD1 HIS 51 1HD HIS 51 2.267 -10.948 4.825 365 HD2 HIS 51 2HD HIS 51 6.306 -12.088 5.117 366 HE1 HIS 51 1HE HIS 51 2.627 -12.765 3.066 367 H LEU 52 H LEU 52 4.359 -6.997 5.873 368 HA LEU 52 HA LEU 52 4.283 -6.817 3.030 369 HB2 LEU 52 1HB LEU 52 2.744 -5.581 4.461 370 HB3 LEU 52 2HB LEU 52 4.079 -4.690 5.190 371 HG LEU 52 HG LEU 52 4.580 -3.609 3.007 372 HD11 LEU 52 1HD1 LEU 52 3.691 -5.350 1.466 373 HD12 LEU 52 2HD1 LEU 52 2.960 -3.784 1.177 374 HD13 LEU 52 3HD1 LEU 52 2.042 -5.021 2.061 375 HD21 LEU 52 3HD2 LEU 52 1.670 -3.328 3.765 376 HD22 LEU 52 1HD2 LEU 52 2.711 -2.107 3.008 377 HD23 LEU 52 2HD2 LEU 52 3.014 -2.605 4.684 378 H LYS 53 H LYS 53 6.694 -5.480 5.365 379 HA LYS 53 HA LYS 53 8.389 -4.245 3.424 380 HB2 LYS 53 1HB LYS 53 8.759 -3.783 5.709 381 HB3 LYS 53 2HB LYS 53 8.897 -5.482 6.150 382 HG2 LYS 53 1HG LYS 53 11.004 -5.722 5.000 383 HG3 LYS 53 2HG LYS 53 10.905 -4.091 4.331 384 HD2 LYS 53 1HD LYS 53 11.005 -4.742 7.313 385 HD3 LYS 53 2HD LYS 53 12.437 -4.387 6.326 386 HE2 LYS 53 1HE LYS 53 11.473 -2.158 5.749 387 HE3 LYS 53 2HE LYS 53 10.091 -2.490 6.799 388 HZ1 LYS 53 3HZ LYS 53 11.645 -2.648 8.676 389 HZ2 LYS 53 1HZ LYS 53 11.782 -1.192 7.954 390 HZ3 LYS 53 2HZ LYS 53 12.919 -2.333 7.702 391 H VAL 54 H VAL 54 8.499 -7.654 4.633 392 HA VAL 54 HA VAL 54 10.569 -8.481 2.868 393 HB VAL 54 HB VAL 54 8.296 -10.107 4.071 394 HG11 VAL 54 1HG1 VAL 54 9.798 -12.089 3.613 395 HG12 VAL 54 2HG1 VAL 54 9.072 -11.392 2.169 396 HG13 VAL 54 3HG1 VAL 54 10.773 -11.045 2.548 397 HG21 VAL 54 3HG2 VAL 54 9.904 -9.090 5.673 398 HG22 VAL 54 1HG2 VAL 54 10.040 -10.851 5.625 399 HG23 VAL 54 2HG2 VAL 54 11.246 -9.844 4.788 400 H HIS 55 H HIS 55 7.031 -8.417 2.287 401 HA HIS 55 HA HIS 55 7.028 -9.556 -0.284 402 HB2 HIS 55 1HB HIS 55 4.952 -9.157 0.857 403 HB3 HIS 55 2HB HIS 55 5.266 -7.433 0.994 404 HD1 HIS 55 1HD HIS 55 4.178 -9.984 -1.657 405 HD2 HIS 55 2HD HIS 55 4.567 -5.846 -1.005 406 HE1 HIS 55 1HE HIS 55 3.062 -8.857 -3.637 407 H ILE 56 H ILE 56 7.518 -6.066 0.552 408 HA ILE 56 HA ILE 56 7.958 -5.328 -2.228 409 HB ILE 56 HB ILE 56 8.584 -3.883 0.359 410 HG12 ILE 56 1HG1 ILE 56 6.298 -3.410 -1.605 411 HG13 ILE 56 2HG1 ILE 56 6.133 -4.394 -0.159 412 HG21 ILE 56 1HG2 ILE 56 10.007 -3.058 -1.515 413 HG22 ILE 56 2HG2 ILE 56 8.557 -2.840 -2.518 414 HG23 ILE 56 3HG2 ILE 56 8.812 -1.852 -1.062 415 HD11 ILE 56 3HD1 ILE 56 5.251 -2.223 0.303 416 HD12 ILE 56 1HD1 ILE 56 6.718 -2.471 1.269 417 HD13 ILE 56 2HD1 ILE 56 6.760 -1.430 -0.177 418 H GLU 57 H GLU 57 10.153 -6.148 0.440 419 HA GLU 57 HA GLU 57 12.629 -5.619 -0.917 420 HB2 GLU 57 1HB GLU 57 11.843 -7.470 1.347 421 HB3 GLU 57 2HB GLU 57 13.505 -7.213 0.902 422 HG2 GLU 57 1HG GLU 57 11.865 -4.761 1.526 423 HG3 GLU 57 2HG GLU 57 12.283 -5.860 2.836 424 H ARG 58 H ARG 58 10.427 -8.196 -1.356 425 HA ARG 58 HA ARG 58 12.515 -9.697 -2.906 426 HB2 ARG 58 1HB ARG 58 11.558 -11.735 -2.357 427 HB3 ARG 58 2HB ARG 58 11.396 -10.790 -0.896 428 HG2 ARG 58 1HG ARG 58 9.001 -10.292 -1.580 429 HG3 ARG 58 2HG ARG 58 9.206 -11.482 -2.874 430 HD2 ARG 58 1HD ARG 58 9.585 -12.028 0.094 431 HD3 ARG 58 2HD ARG 58 8.107 -12.375 -0.789 432 HE ARG 58 HE ARG 58 10.635 -13.871 -0.859 433 HH11 ARG 58 2HH1 ARG 58 7.589 -13.450 -2.552 434 HH12 ARG 58 1HH1 ARG 58 7.737 -14.982 -3.365 435 HH21 ARG 58 2HH2 ARG 58 10.748 -15.802 -1.932 436 HH22 ARG 58 1HH2 ARG 58 9.475 -16.274 -3.018 437 H VAL 59 H VAL 59 9.132 -8.570 -3.161 438 HA VAL 59 HA VAL 59 9.000 -9.656 -5.858 439 HB VAL 59 HB VAL 59 6.894 -8.019 -4.395 440 HG11 VAL 59 1HG1 VAL 59 6.695 -9.794 -6.863 441 HG12 VAL 59 2HG1 VAL 59 5.329 -9.027 -6.021 442 HG13 VAL 59 3HG1 VAL 59 6.530 -8.023 -6.831 443 HG21 VAL 59 3HG2 VAL 59 5.773 -10.247 -4.078 444 HG22 VAL 59 1HG2 VAL 59 7.250 -11.040 -4.672 445 HG23 VAL 59 2HG2 VAL 59 7.264 -10.090 -3.165 446 H HIS 60 H HIS 60 8.949 -6.402 -4.374 447 HA HIS 60 HA HIS 60 9.204 -5.118 -7.033 448 HB2 HIS 60 1HB HIS 60 8.409 -3.873 -4.419 449 HB3 HIS 60 2HB HIS 60 8.261 -3.173 -6.031 450 HD1 HIS 60 1HD HIS 60 6.485 -4.765 -7.701 451 HD2 HIS 60 2HD HIS 60 6.306 -5.038 -3.513 452 HE1 HIS 60 1HE HIS 60 4.203 -5.755 -7.168 453 H LYS 61 H LYS 61 11.386 -6.330 -5.327 454 HA LYS 61 HA LYS 61 13.191 -4.300 -4.461 455 HB2 LYS 61 1HB LYS 61 13.278 -6.567 -3.685 456 HB3 LYS 61 2HB LYS 61 13.513 -7.206 -5.300 457 HG2 LYS 61 1HG LYS 61 15.577 -7.304 -4.001 458 HG3 LYS 61 2HG LYS 61 15.748 -6.316 -5.439 459 HD2 LYS 61 1HD LYS 61 16.938 -5.321 -3.542 460 HD3 LYS 61 2HD LYS 61 15.671 -4.263 -4.127 461 HE2 LYS 61 1HE LYS 61 15.531 -4.144 -1.784 462 HE3 LYS 61 2HE LYS 61 14.164 -5.154 -2.283 463 HZ1 LYS 61 3HZ LYS 61 15.482 -5.939 -0.350 464 HZ2 LYS 61 1HZ LYS 61 16.734 -6.300 -1.345 465 HZ3 LYS 61 2HZ LYS 61 15.278 -7.073 -1.524 466 H LYS 62 H LYS 62 14.388 -2.948 -5.509 467 HA LYS 62 HA LYS 62 15.272 -1.672 -7.128 468 HB2 LYS 62 1HB LYS 62 16.906 -3.648 -6.756 469 HB3 LYS 62 2HB LYS 62 16.410 -4.206 -8.356 470 HG2 LYS 62 1HG LYS 62 17.128 -1.969 -9.288 471 HG3 LYS 62 2HG LYS 62 17.665 -1.500 -7.673 472 HD2 LYS 62 1HD LYS 62 18.748 -3.854 -9.285 473 HD3 LYS 62 2HD LYS 62 19.505 -2.259 -9.164 474 HE2 LYS 62 1HE LYS 62 19.714 -2.550 -6.695 475 HE3 LYS 62 2HE LYS 62 19.015 -4.169 -6.834 476 HZ1 LYS 62 3HZ LYS 62 21.438 -4.258 -6.802 477 HZ2 LYS 62 1HZ LYS 62 21.552 -3.296 -8.112 478 HZ3 LYS 62 2HZ LYS 62 20.904 -4.791 -8.247 479 H ILE 63 H ILE 63 12.749 -1.990 -7.575 480 HA ILE 63 HA ILE 63 12.155 -2.506 -10.388 481 HB ILE 63 HB ILE 63 10.512 -2.859 -8.573 482 HG12 ILE 63 1HG1 ILE 63 9.559 -0.922 -10.718 483 HG13 ILE 63 2HG1 ILE 63 9.915 -2.633 -10.984 484 HG21 ILE 63 1HG2 ILE 63 9.312 -1.039 -7.554 485 HG22 ILE 63 2HG2 ILE 63 11.025 -0.743 -7.283 486 HG23 ILE 63 3HG2 ILE 63 10.162 0.172 -8.538 487 HD11 ILE 63 3HD1 ILE 63 8.166 -3.235 -9.294 488 HD12 ILE 63 1HD1 ILE 63 7.735 -1.511 -9.175 489 HD13 ILE 63 2HD1 ILE 63 7.533 -2.370 -10.709 490 H LYS 64 H LYS 64 11.771 -0.991 -12.030 491 HA LYS 64 HA LYS 64 13.464 1.406 -11.726 492 HB2 LYS 64 1HB LYS 64 12.244 0.279 -14.263 493 HB3 LYS 64 2HB LYS 64 13.519 1.488 -14.124 494 HG2 LYS 64 1HG LYS 64 13.677 -1.466 -13.419 495 HG3 LYS 64 2HG LYS 64 14.503 -0.626 -14.730 496 HD2 LYS 64 1HD LYS 64 15.806 0.690 -13.040 497 HD3 LYS 64 2HD LYS 64 15.048 -0.247 -11.745 498 HE2 LYS 64 1HE LYS 64 16.771 -1.404 -13.975 499 HE3 LYS 64 2HE LYS 64 17.322 -1.031 -12.339 500 HZ1 LYS 64 3HZ LYS 64 16.760 -3.355 -12.471 501 HZ2 LYS 64 1HZ LYS 64 15.265 -3.055 -13.048 502 HZ3 LYS 64 2HZ LYS 64 15.639 -2.644 -11.506 503 H GLN 65 H GLN 65 12.643 3.150 -11.018 504 HA GLN 65 HA GLN 65 9.916 4.112 -11.684 505 HB2 GLN 65 1HB GLN 65 12.174 5.372 -10.067 506 HB3 GLN 65 2HB GLN 65 10.541 6.014 -10.223 507 HG2 GLN 65 1HG GLN 65 11.221 3.344 -8.909 508 HG3 GLN 65 2HG GLN 65 10.990 4.866 -8.071 509 HE21 GLN 65 1HE2 GLN 65 9.384 3.106 -7.056 510 HE22 GLN 65 2HE2 GLN 65 7.752 3.247 -7.696 511 H HIS 66 H HIS 66 9.774 6.429 -12.561 512 HA HIS 66 HA HIS 66 12.149 7.269 -14.099 513 HB2 HIS 66 1HB HIS 66 10.948 7.708 -16.123 514 HB3 HIS 66 2HB HIS 66 10.799 6.009 -15.705 515 HD1 HIS 66 1HD HIS 66 8.296 5.150 -15.092 516 HD2 HIS 66 2HD HIS 66 8.706 9.227 -16.055 517 HE1 HIS 66 1HE HIS 66 5.934 6.041 -15.443 518 H CYS 67 H CYS 67 12.412 9.397 -14.464 519 HA CYS 67 HA CYS 67 11.200 11.281 -12.662 520 HB2 CYS 67 1HB CYS 67 13.551 11.272 -13.392 521 HB3 CYS 67 2HB CYS 67 13.039 11.590 -15.058 522 H ARG 68 H ARG 68 9.644 12.726 -12.911 523 HA ARG 68 HA ARG 68 7.937 12.608 -15.304 524 HB2 ARG 68 1HB ARG 68 6.272 13.716 -14.060 525 HB3 ARG 68 2HB ARG 68 7.014 12.522 -13.022 526 HG2 ARG 68 1HG ARG 68 6.867 14.248 -11.540 527 HG3 ARG 68 2HG ARG 68 8.487 14.538 -12.151 528 HD2 ARG 68 1HD ARG 68 7.325 16.625 -11.987 529 HD3 ARG 68 2HD ARG 68 7.531 16.308 -13.692 530 HE ARG 68 HE ARG 68 5.019 16.139 -12.079 531 HH11 ARG 68 2HH1 ARG 68 6.337 16.009 -15.355 532 HH12 ARG 68 1HH1 ARG 68 4.788 16.407 -16.049 533 HH21 ARG 68 2HH2 ARG 68 3.103 16.557 -13.069 534 HH22 ARG 68 1HH2 ARG 68 3.016 16.657 -14.802 535 H PHE 69 H PHE 69 10.658 14.357 -14.684 536 HA PHE 69 HA PHE 69 9.755 16.703 -16.324 537 HB2 PHE 69 1HB PHE 69 12.219 16.392 -14.608 538 HB3 PHE 69 2HB PHE 69 11.731 17.837 -15.466 539 HD1 PHE 69 2HD PHE 69 9.836 19.217 -14.646 540 HD2 PHE 69 1HD PHE 69 11.191 15.733 -12.494 541 HE1 PHE 69 2HE PHE 69 8.690 20.030 -12.598 542 HE2 PHE 69 1HE PHE 69 10.050 16.553 -10.448 543 HZ PHE 69 HZ PHE 69 8.814 18.711 -10.491 544 H CYS 70 H CYS 70 12.553 14.455 -16.014 545 HA CYS 70 HA CYS 70 13.304 15.072 -18.830 546 HB2 CYS 70 1HB CYS 70 15.573 14.726 -18.276 547 HB3 CYS 70 2HB CYS 70 14.860 15.942 -17.222 548 H LYS 71 H LYS 71 11.810 12.649 -17.231 549 HA LYS 71 HA LYS 71 11.344 10.472 -17.613 550 HB2 LYS 71 1HB LYS 71 12.105 11.206 -20.458 551 HB3 LYS 71 2HB LYS 71 11.364 9.694 -19.983 552 HG2 LYS 71 1HG LYS 71 9.614 11.006 -20.776 553 HG3 LYS 71 2HG LYS 71 9.413 10.887 -19.037 554 HD2 LYS 71 1HD LYS 71 8.813 13.095 -19.905 555 HD3 LYS 71 2HD LYS 71 10.138 13.222 -18.759 556 HE2 LYS 71 1HE LYS 71 11.757 13.384 -20.651 557 HE3 LYS 71 2HE LYS 71 10.432 13.184 -21.802 558 HZ1 LYS 71 3HZ LYS 71 10.711 15.469 -19.907 559 HZ2 LYS 71 1HZ LYS 71 9.483 15.273 -20.973 560 HZ3 LYS 71 2HZ LYS 71 10.999 15.526 -21.515 561 H LYS 72 H LYS 72 14.252 11.200 -16.964 562 HA LYS 72 HA LYS 72 15.857 8.941 -17.724 563 HB2 LYS 72 1HB LYS 72 16.642 11.161 -16.721 564 HB3 LYS 72 2HB LYS 72 16.004 10.621 -15.184 565 HG2 LYS 72 1HG LYS 72 17.528 8.710 -15.142 566 HG3 LYS 72 2HG LYS 72 18.090 9.059 -16.786 567 HD2 LYS 72 1HD LYS 72 19.174 11.104 -16.062 568 HD3 LYS 72 2HD LYS 72 18.433 10.991 -14.459 569 HE2 LYS 72 1HE LYS 72 19.610 8.733 -14.188 570 HE3 LYS 72 2HE LYS 72 20.480 9.084 -15.685 571 HZ1 LYS 72 3HZ LYS 72 21.797 9.750 -13.790 572 HZ2 LYS 72 1HZ LYS 72 20.598 10.659 -13.166 573 HZ3 LYS 72 2HZ LYS 72 21.344 11.115 -14.560 574 H LYS 73 H LYS 73 16.074 6.920 -16.807 575 HA LYS 73 HA LYS 73 14.013 6.064 -14.861 576 HB2 LYS 73 1HB LYS 73 15.899 4.521 -16.657 577 HB3 LYS 73 2HB LYS 73 14.987 3.750 -15.348 578 HG2 LYS 73 1HG LYS 73 12.863 4.563 -16.275 579 HG3 LYS 73 2HG LYS 73 13.725 5.368 -17.598 580 HD2 LYS 73 1HD LYS 73 14.559 3.188 -18.407 581 HD3 LYS 73 2HD LYS 73 13.759 2.364 -17.047 582 HE2 LYS 73 1HE LYS 73 11.561 3.190 -17.823 583 HE3 LYS 73 2HE LYS 73 12.338 4.038 -19.167 584 HZ1 LYS 73 3HZ LYS 73 12.359 1.088 -18.780 585 HZ2 LYS 73 1HZ LYS 73 13.079 1.875 -20.020 586 HZ3 LYS 73 2HZ LYS 73 11.455 1.889 -19.876 587 H TYR 74 H TYR 74 14.336 5.123 -12.978 588 HA TYR 74 HA TYR 74 17.015 5.356 -11.662 589 HB2 TYR 74 1HB TYR 74 14.402 6.676 -10.917 590 HB3 TYR 74 2HB TYR 74 15.523 6.192 -9.654 591 HD1 TYR 74 1HD TYR 74 15.114 8.448 -12.594 592 HD2 TYR 74 2HD TYR 74 17.633 7.245 -9.309 593 HE1 TYR 74 1HE TYR 74 16.653 10.341 -13.090 594 HE2 TYR 74 2HE TYR 74 19.205 9.117 -9.832 595 HH TYR 74 HH TYR 74 18.549 11.471 -12.410 596 H SER 75 H SER 75 17.616 3.621 -10.608 597 HA SER 75 HA SER 75 15.883 1.324 -10.304 598 HB2 SER 75 1HB SER 75 18.747 1.808 -9.413 599 HB3 SER 75 2HB SER 75 17.929 0.237 -9.443 600 HG SER 75 HG SER 75 19.231 0.723 -11.341 601 H ASP 76 H ASP 76 16.321 3.964 -8.258 602 HA ASP 76 HA ASP 76 14.899 2.544 -6.097 603 HB2 ASP 76 1HB ASP 76 17.447 2.807 -5.563 604 HB3 ASP 76 2HB ASP 76 17.099 4.515 -5.394 605 H VAL 77 H VAL 77 13.181 3.750 -5.386 606 HA VAL 77 HA VAL 77 12.474 6.223 -6.689 607 HB VAL 77 HB VAL 77 10.872 4.562 -5.701 608 HG11 VAL 77 1HG1 VAL 77 11.452 5.875 -3.018 609 HG12 VAL 77 2HG1 VAL 77 10.244 4.630 -3.381 610 HG13 VAL 77 3HG1 VAL 77 11.966 4.232 -3.475 611 HG21 VAL 77 3HG2 VAL 77 10.178 6.831 -6.390 612 HG22 VAL 77 1HG2 VAL 77 9.228 6.228 -5.023 613 HG23 VAL 77 2HG2 VAL 77 10.504 7.430 -4.749 614 H LYS 78 H LYS 78 14.173 5.548 -3.609 615 HA LYS 78 HA LYS 78 14.030 8.278 -2.625 616 HB2 LYS 78 1HB LYS 78 16.093 6.113 -2.033 617 HB3 LYS 78 2HB LYS 78 15.853 7.593 -1.109 618 HG2 LYS 78 1HG LYS 78 13.842 5.313 -1.380 619 HG3 LYS 78 2HG LYS 78 14.865 5.664 0.011 620 HD2 LYS 78 1HD LYS 78 13.690 7.877 0.282 621 HD3 LYS 78 2HD LYS 78 12.648 7.455 -1.080 622 HE2 LYS 78 1HE LYS 78 11.404 6.974 0.875 623 HE3 LYS 78 2HE LYS 78 11.862 5.431 0.155 624 HZ1 LYS 78 3HZ LYS 78 13.236 6.715 2.464 625 HZ2 LYS 78 1HZ LYS 78 13.639 5.263 1.824 626 HZ3 LYS 78 2HZ LYS 78 12.203 5.458 2.568 627 H ASN 79 H ASN 79 16.305 6.655 -4.819 628 HA ASN 79 HA ASN 79 18.060 8.975 -4.951 629 HB2 ASN 79 1HB ASN 79 17.754 6.530 -6.758 630 HB3 ASN 79 2HB ASN 79 18.981 7.773 -6.983 631 HD21 ASN 79 1HD2 ASN 79 19.958 5.311 -6.742 632 HD22 ASN 79 2HD2 ASN 79 20.665 5.088 -5.149 633 H LEU 80 H LEU 80 15.178 7.958 -6.778 634 HA LEU 80 HA LEU 80 15.313 9.991 -8.771 635 HB2 LEU 80 1HB LEU 80 13.769 8.045 -8.852 636 HB3 LEU 80 2HB LEU 80 12.898 8.706 -7.462 637 HG LEU 80 HG LEU 80 12.206 10.670 -8.743 638 HD11 LEU 80 1HD1 LEU 80 13.422 9.266 -11.150 639 HD12 LEU 80 2HD1 LEU 80 14.116 10.716 -10.387 640 HD13 LEU 80 3HD1 LEU 80 12.529 10.804 -11.126 641 HD21 LEU 80 3HD2 LEU 80 11.580 8.060 -10.163 642 HD22 LEU 80 1HD2 LEU 80 10.603 9.542 -10.193 643 HD23 LEU 80 2HD2 LEU 80 10.787 8.639 -8.678 644 H ILE 81 H ILE 81 13.882 10.054 -5.449 645 HA ILE 81 HA ILE 81 12.871 12.709 -5.590 646 HB ILE 81 HB ILE 81 14.038 11.489 -3.077 647 HG12 ILE 81 1HG1 ILE 81 12.679 9.780 -3.792 648 HG13 ILE 81 2HG1 ILE 81 11.791 10.612 -2.580 649 HG21 ILE 81 1HG2 ILE 81 11.828 13.520 -3.576 650 HG22 ILE 81 2HG2 ILE 81 12.263 12.852 -1.987 651 HG23 ILE 81 3HG2 ILE 81 13.431 13.836 -2.874 652 HD11 ILE 81 3HD1 ILE 81 10.418 11.761 -4.333 653 HD12 ILE 81 1HD1 ILE 81 11.275 10.818 -5.574 654 HD13 ILE 81 2HD1 ILE 81 10.273 9.993 -4.370 655 H LYS 82 H LYS 82 16.065 11.554 -4.443 656 HA LYS 82 HA LYS 82 17.180 14.100 -3.875 657 HB2 LYS 82 1HB LYS 82 18.089 11.875 -3.190 658 HB3 LYS 82 2HB LYS 82 18.606 11.579 -4.856 659 HG2 LYS 82 1HG LYS 82 20.090 13.571 -4.745 660 HG3 LYS 82 2HG LYS 82 19.582 13.867 -3.081 661 HD2 LYS 82 1HD LYS 82 21.023 11.384 -4.119 662 HD3 LYS 82 2HD LYS 82 21.799 12.717 -3.277 663 HE2 LYS 82 1HE LYS 82 19.652 10.903 -2.075 664 HE3 LYS 82 2HE LYS 82 21.390 10.697 -1.860 665 HZ1 LYS 82 3HZ LYS 82 21.471 12.883 -0.790 666 HZ2 LYS 82 1HZ LYS 82 20.449 11.895 0.007 667 HZ3 LYS 82 2HZ LYS 82 19.854 13.072 -0.950 668 H HIS 83 H HIS 83 17.199 12.298 -6.973 669 HA HIS 83 HA HIS 83 18.575 14.257 -8.548 670 HB2 HIS 83 1HB HIS 83 18.282 12.083 -9.439 671 HB3 HIS 83 2HB HIS 83 16.554 12.075 -9.134 672 HD1 HIS 83 1HD HIS 83 19.026 13.851 -11.525 673 HD2 HIS 83 2HD HIS 83 14.963 12.888 -11.024 674 HE1 HIS 83 1HE HIS 83 17.907 14.438 -13.726 675 H ILE 84 H ILE 84 15.023 13.975 -7.912 676 HA ILE 84 HA ILE 84 14.357 16.295 -9.469 677 HB ILE 84 HB ILE 84 12.981 14.857 -7.192 678 HG12 ILE 84 1HG1 ILE 84 12.171 15.030 -10.126 679 HG13 ILE 84 2HG1 ILE 84 13.299 13.811 -9.545 680 HG21 ILE 84 1HG2 ILE 84 12.168 17.176 -7.093 681 HG22 ILE 84 2HG2 ILE 84 11.900 17.189 -8.846 682 HG23 ILE 84 3HG2 ILE 84 10.914 16.160 -7.786 683 HD11 ILE 84 3HD1 ILE 84 10.425 14.129 -8.625 684 HD12 ILE 84 1HD1 ILE 84 11.119 12.826 -9.608 685 HD13 ILE 84 2HD1 ILE 84 11.612 13.014 -7.906 686 H ARG 85 H ARG 85 15.132 15.972 -6.001 687 HA ARG 85 HA ARG 85 14.936 18.766 -5.339 688 HB2 ARG 85 1HB ARG 85 16.536 16.490 -4.091 689 HB3 ARG 85 2HB ARG 85 16.428 18.113 -3.401 690 HG2 ARG 85 1HG ARG 85 13.982 17.926 -3.248 691 HG3 ARG 85 2HG ARG 85 14.028 16.310 -3.939 692 HD2 ARG 85 1HD ARG 85 13.819 16.074 -1.550 693 HD3 ARG 85 2HD ARG 85 15.416 15.522 -2.036 694 HE ARG 85 HE ARG 85 16.407 17.256 -0.849 695 HH11 ARG 85 2HH1 ARG 85 12.967 17.942 -0.945 696 HH12 ARG 85 1HH1 ARG 85 13.108 19.236 0.211 697 HH21 ARG 85 2HH2 ARG 85 16.505 18.920 0.610 698 HH22 ARG 85 1HH2 ARG 85 15.057 19.769 1.064 699 H ASP 86 H ASP 86 17.517 17.090 -6.962 700 HA ASP 86 HA ASP 86 19.392 19.374 -6.619 701 HB2 ASP 86 1HB ASP 86 19.684 16.602 -7.819 702 HB3 ASP 86 2HB ASP 86 20.925 17.841 -7.947 703 H ALA 87 H ALA 87 17.686 17.733 -9.307 704 HA ALA 87 HA ALA 87 18.826 19.668 -11.246 705 HB1 ALA 87 1HB ALA 87 18.192 17.981 -12.896 706 HB2 ALA 87 2HB ALA 87 19.122 17.230 -11.585 707 HB3 ALA 87 3HB ALA 87 17.355 17.031 -11.654 708 H HIS 88 H HIS 88 15.700 18.837 -9.830 709 HA HIS 88 HA HIS 88 14.310 20.716 -11.689 710 HB2 HIS 88 1HB HIS 88 13.208 18.157 -10.512 711 HB3 HIS 88 2HB HIS 88 12.453 19.202 -11.700 712 HD1 HIS 88 1HD HIS 88 14.504 19.399 -13.994 713 HD2 HIS 88 2HD HIS 88 13.878 15.984 -11.639 714 HE1 HIS 88 1HE HIS 88 15.308 17.434 -15.399 715 H ASP 89 H ASP 89 15.424 21.217 -8.972 716 HA ASP 89 HA ASP 89 13.700 21.097 -6.920 717 HB2 ASP 89 1HB ASP 89 14.988 22.769 -5.811 718 HB3 ASP 89 2HB ASP 89 16.035 21.728 -6.763 719 HA PRO 90 HA PRO 90 10.203 23.824 -7.517 720 HB2 PRO 90 1HB PRO 90 10.501 24.180 -4.526 721 HB3 PRO 90 2HB PRO 90 9.013 23.897 -5.483 722 HG2 PRO 90 1HG PRO 90 10.209 21.854 -4.155 723 HG3 PRO 90 2HG PRO 90 9.573 21.606 -5.813 724 HD2 PRO 90 1HD PRO 90 12.451 22.005 -4.959 725 HD3 PRO 90 2HD PRO 90 11.743 20.948 -6.210 726 H GLN 91 H GLN 91 9.897 25.937 -7.963 727 HA GLN 91 HA GLN 91 11.999 27.901 -7.218 728 HB2 GLN 91 1HB GLN 91 9.888 27.932 -9.404 729 HB3 GLN 91 2HB GLN 91 11.089 29.199 -9.117 730 HG2 GLN 91 1HG GLN 91 12.921 27.550 -9.487 731 HG3 GLN 91 2HG GLN 91 11.724 26.310 -9.859 732 HE21 GLN 91 1HE2 GLN 91 13.443 26.552 -11.823 733 HE22 GLN 91 2HE2 GLN 91 12.808 27.524 -13.144 734 H ASP 92 H ASP 92 8.989 27.099 -6.033 735 HA ASP 92 HA ASP 92 8.606 29.721 -4.715 736 HB2 ASP 92 1HB ASP 92 7.196 29.823 -6.731 737 HB3 ASP 92 2HB ASP 92 6.433 28.297 -6.300 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 3.224 -42.934 -7.005 2 H2 GLY 1 2H GLY 1 2.741 -44.323 -7.727 3 H3 GLY 1 3H GLY 1 2.711 -44.195 -6.094 4 HA2 GLY 1 1HA GLY 1 1.035 -42.642 -7.957 5 HA3 GLY 1 2HA GLY 1 0.480 -44.017 -6.986 6 H SER 2 H SER 2 -0.171 -41.019 -7.064 7 HA SER 2 HA SER 2 0.007 -40.461 -4.133 8 HB2 SER 2 1HB SER 2 0.625 -38.477 -6.356 9 HB3 SER 2 2HB SER 2 0.539 -38.112 -4.623 10 HG SER 2 HG SER 2 2.697 -38.463 -5.342 11 H SER 3 H SER 3 -1.620 -39.121 -3.287 12 HA SER 3 HA SER 3 -4.198 -39.483 -4.483 13 HB2 SER 3 1HB SER 3 -3.431 -37.811 -2.066 14 HB3 SER 3 2HB SER 3 -5.047 -38.424 -2.464 15 HG SER 3 HG SER 3 -3.968 -39.763 -0.938 16 H GLY 4 H GLY 4 -1.993 -36.873 -4.885 17 HA2 GLY 4 1HA GLY 4 -2.163 -34.940 -6.154 18 HA3 GLY 4 2HA GLY 4 -3.821 -35.367 -6.557 19 H SER 5 H SER 5 -3.974 -32.974 -6.389 20 HA SER 5 HA SER 5 -3.992 -31.766 -3.711 21 HB2 SER 5 1HB SER 5 -4.352 -29.666 -4.980 22 HB3 SER 5 2HB SER 5 -2.917 -30.568 -5.491 23 HG SER 5 HG SER 5 -4.167 -29.827 -7.279 24 H SER 6 H SER 6 -6.255 -33.613 -5.124 25 HA SER 6 HA SER 6 -8.639 -32.125 -5.194 26 HB2 SER 6 1HB SER 6 -8.275 -35.081 -4.577 27 HB3 SER 6 2HB SER 6 -9.766 -34.302 -5.142 28 HG SER 6 HG SER 6 -8.580 -35.258 -6.865 29 H GLY 7 H GLY 7 -10.497 -32.125 -3.874 30 HA2 GLY 7 1HA GLY 7 -11.744 -32.242 -1.896 31 HA3 GLY 7 2HA GLY 7 -10.349 -32.841 -1.009 32 H LYS 8 H LYS 8 -11.920 -31.025 0.163 33 HA LYS 8 HA LYS 8 -12.201 -28.955 1.069 34 HB2 LYS 8 1HB LYS 8 -9.179 -29.078 1.059 35 HB3 LYS 8 2HB LYS 8 -10.143 -27.914 1.979 36 HG2 LYS 8 1HG LYS 8 -11.260 -29.748 3.198 37 HG3 LYS 8 2HG LYS 8 -10.290 -30.938 2.310 38 HD2 LYS 8 1HD LYS 8 -8.213 -29.956 3.242 39 HD3 LYS 8 2HD LYS 8 -9.173 -28.749 4.122 40 HE2 LYS 8 1HE LYS 8 -10.339 -30.578 5.347 41 HE3 LYS 8 2HE LYS 8 -9.367 -31.775 4.480 42 HZ1 LYS 8 3HZ LYS 8 -7.377 -30.806 5.506 43 HZ2 LYS 8 1HZ LYS 8 -8.425 -31.279 6.663 44 HZ3 LYS 8 2HZ LYS 8 -8.275 -29.695 6.305 45 HA PRO 9 HA PRO 9 -11.607 -26.909 -3.120 46 HB2 PRO 9 1HB PRO 9 -14.289 -26.212 -3.482 47 HB3 PRO 9 2HB PRO 9 -13.523 -27.736 -3.987 48 HG2 PRO 9 1HG PRO 9 -15.122 -27.263 -1.501 49 HG3 PRO 9 2HG PRO 9 -15.242 -28.615 -2.664 50 HD2 PRO 9 1HD PRO 9 -13.828 -28.867 -0.373 51 HD3 PRO 9 2HD PRO 9 -13.221 -29.572 -1.896 52 H TYR 10 H TYR 10 -13.371 -25.779 -0.250 53 HA TYR 10 HA TYR 10 -13.379 -23.001 -1.129 54 HB2 TYR 10 1HB TYR 10 -14.126 -24.294 1.512 55 HB3 TYR 10 2HB TYR 10 -14.408 -22.610 1.083 56 HD1 TYR 10 1HD TYR 10 -16.149 -21.993 -0.560 57 HD2 TYR 10 2HD TYR 10 -15.389 -26.117 0.429 58 HE1 TYR 10 1HE TYR 10 -18.324 -22.658 -1.602 59 HE2 TYR 10 2HE TYR 10 -17.565 -26.768 -0.548 60 HH TYR 10 HH TYR 10 -19.467 -26.050 -1.626 61 H LYS 11 H LYS 11 -11.469 -21.985 -1.212 62 HA LYS 11 HA LYS 11 -9.342 -22.460 0.825 63 HB2 LYS 11 1HB LYS 11 -9.099 -20.807 -1.703 64 HB3 LYS 11 2HB LYS 11 -7.810 -21.475 -0.715 65 HG2 LYS 11 1HG LYS 11 -9.682 -22.979 -2.577 66 HG3 LYS 11 2HG LYS 11 -7.968 -22.653 -2.801 67 HD2 LYS 11 1HD LYS 11 -7.449 -24.093 -0.821 68 HD3 LYS 11 2HD LYS 11 -9.184 -24.485 -0.696 69 HE2 LYS 11 1HE LYS 11 -9.138 -25.347 -3.034 70 HE3 LYS 11 2HE LYS 11 -7.406 -25.000 -3.126 71 HZ1 LYS 11 3HZ LYS 11 -7.075 -26.601 -1.301 72 HZ2 LYS 11 1HZ LYS 11 -7.815 -27.329 -2.565 73 HZ3 LYS 11 2HZ LYS 11 -8.692 -26.910 -1.251 74 H CYS 12 H CYS 12 -8.304 -20.798 1.960 75 HA CYS 12 HA CYS 12 -9.809 -18.360 2.456 76 HB2 CYS 12 1HB CYS 12 -8.738 -19.573 4.221 77 HB3 CYS 12 2HB CYS 12 -7.153 -19.384 3.457 78 HA PRO 13 HA PRO 13 -7.429 -16.097 -0.683 79 HB2 PRO 13 1HB PRO 13 -8.530 -13.625 -0.346 80 HB3 PRO 13 2HB PRO 13 -9.419 -14.988 -1.091 81 HG2 PRO 13 1HG PRO 13 -9.610 -13.943 1.734 82 HG3 PRO 13 2HG PRO 13 -10.929 -14.448 0.642 83 HD2 PRO 13 1HD PRO 13 -9.779 -16.078 2.610 84 HD3 PRO 13 2HD PRO 13 -10.611 -16.695 1.156 85 H GLN 14 H GLN 14 -7.197 -15.871 2.718 86 HA GLN 14 HA GLN 14 -5.077 -13.764 2.618 87 HB2 GLN 14 1HB GLN 14 -6.800 -14.540 4.991 88 HB3 GLN 14 2HB GLN 14 -5.684 -13.183 4.841 89 HG2 GLN 14 1HG GLN 14 -7.211 -12.562 2.755 90 HG3 GLN 14 2HG GLN 14 -8.385 -13.602 3.556 91 HE21 GLN 14 1HE2 GLN 14 -9.751 -12.571 5.024 92 HE22 GLN 14 2HE2 GLN 14 -9.386 -11.003 5.729 93 H CYS 15 H CYS 15 -5.676 -17.101 3.626 94 HA CYS 15 HA CYS 15 -2.750 -17.351 4.003 95 HB2 CYS 15 1HB CYS 15 -2.860 -18.441 6.125 96 HB3 CYS 15 2HB CYS 15 -3.659 -16.880 6.255 97 H SER 16 H SER 16 -2.493 -19.924 4.754 98 HA SER 16 HA SER 16 -3.038 -21.335 2.270 99 HB2 SER 16 1HB SER 16 -1.650 -23.112 3.307 100 HB3 SER 16 2HB SER 16 -0.872 -21.523 3.298 101 HG SER 16 HG SER 16 -0.671 -22.591 5.332 102 H TYR 17 H TYR 17 -5.040 -20.913 4.874 103 HA TYR 17 HA TYR 17 -6.021 -23.481 5.515 104 HB2 TYR 17 1HB TYR 17 -6.509 -21.485 6.795 105 HB3 TYR 17 2HB TYR 17 -7.346 -20.757 5.443 106 HD1 TYR 17 1HD TYR 17 -7.455 -23.474 7.997 107 HD2 TYR 17 2HD TYR 17 -9.712 -21.306 5.023 108 HE1 TYR 17 1HE TYR 17 -9.586 -24.364 8.945 109 HE2 TYR 17 2HE TYR 17 -11.828 -22.157 6.002 110 HH TYR 17 HH TYR 17 -12.770 -23.249 7.783 111 H ALA 18 H ALA 18 -7.720 -24.716 4.870 112 HA ALA 18 HA ALA 18 -9.494 -23.893 2.730 113 HB1 ALA 18 1HB ALA 18 -7.812 -26.423 2.423 114 HB2 ALA 18 2HB ALA 18 -9.090 -25.856 1.325 115 HB3 ALA 18 3HB ALA 18 -7.590 -24.925 1.490 116 H SER 19 H SER 19 -11.431 -25.154 2.627 117 HA SER 19 HA SER 19 -11.769 -27.426 4.481 118 HB2 SER 19 1HB SER 19 -12.373 -25.272 5.728 119 HB3 SER 19 2HB SER 19 -13.743 -25.127 4.612 120 HG SER 19 HG SER 19 -13.140 -27.200 6.478 121 H ALA 20 H ALA 20 -13.933 -28.461 4.220 122 HA ALA 20 HA ALA 20 -14.687 -28.663 1.385 123 HB1 ALA 20 1HB ALA 20 -15.794 -30.726 2.090 124 HB2 ALA 20 2HB ALA 20 -14.123 -30.681 2.684 125 HB3 ALA 20 3HB ALA 20 -15.472 -30.338 3.793 126 H ILE 21 H ILE 21 -15.732 -26.654 3.772 127 HA ILE 21 HA ILE 21 -18.565 -26.578 2.803 128 HB ILE 21 HB ILE 21 -17.578 -26.461 5.676 129 HG12 ILE 21 1HG1 ILE 21 -19.181 -28.608 4.212 130 HG13 ILE 21 2HG1 ILE 21 -17.539 -28.765 4.841 131 HG21 ILE 21 1HG2 ILE 21 -19.504 -24.973 5.328 132 HG22 ILE 21 2HG2 ILE 21 -20.437 -26.319 4.631 133 HG23 ILE 21 3HG2 ILE 21 -19.934 -26.319 6.340 134 HD11 ILE 21 3HD1 ILE 21 -18.440 -28.451 7.168 135 HD12 ILE 21 1HD1 ILE 21 -20.081 -28.574 6.477 136 HD13 ILE 21 2HD1 ILE 21 -18.956 -29.929 6.331 137 H LYS 22 H LYS 22 -19.320 -24.559 2.345 138 HA LYS 22 HA LYS 22 -17.609 -22.279 2.296 139 HB2 LYS 22 1HB LYS 22 -19.602 -22.647 0.817 140 HB3 LYS 22 2HB LYS 22 -20.658 -22.381 2.197 141 HG2 LYS 22 1HG LYS 22 -20.601 -20.378 0.888 142 HG3 LYS 22 2HG LYS 22 -19.774 -20.040 2.406 143 HD2 LYS 22 1HD LYS 22 -17.561 -20.296 1.226 144 HD3 LYS 22 2HD LYS 22 -18.440 -20.690 -0.256 145 HE2 LYS 22 1HE LYS 22 -17.965 -18.456 -0.589 146 HE3 LYS 22 2HE LYS 22 -19.622 -18.414 0.013 147 HZ1 LYS 22 3HZ LYS 22 -17.159 -17.839 1.580 148 HZ2 LYS 22 1HZ LYS 22 -18.638 -17.910 2.263 149 HZ3 LYS 22 2HZ LYS 22 -18.303 -16.762 1.149 150 H ALA 23 H ALA 23 -20.128 -23.158 4.677 151 HA ALA 23 HA ALA 23 -19.941 -20.858 6.314 152 HB1 ALA 23 1HB ALA 23 -20.565 -23.728 7.127 153 HB2 ALA 23 2HB ALA 23 -20.972 -22.261 8.034 154 HB3 ALA 23 3HB ALA 23 -21.728 -22.559 6.458 155 H ASN 24 H ASN 24 -17.851 -23.768 6.290 156 HA ASN 24 HA ASN 24 -16.320 -22.976 8.633 157 HB2 ASN 24 1HB ASN 24 -15.751 -24.900 6.321 158 HB3 ASN 24 2HB ASN 24 -14.684 -24.683 7.688 159 HD21 ASN 24 1HD2 ASN 24 -15.316 -27.121 7.295 160 HD22 ASN 24 2HD2 ASN 24 -16.502 -27.691 8.478 161 H LEU 25 H LEU 25 -16.124 -22.108 5.201 162 HA LEU 25 HA LEU 25 -13.570 -20.718 5.581 163 HB2 LEU 25 1HB LEU 25 -14.126 -21.599 3.391 164 HB3 LEU 25 2HB LEU 25 -15.601 -20.632 3.329 165 HG LEU 25 HG LEU 25 -14.281 -18.551 3.317 166 HD11 LEU 25 1HD1 LEU 25 -12.259 -19.236 4.562 167 HD12 LEU 25 2HD1 LEU 25 -11.851 -18.610 2.973 168 HD13 LEU 25 3HD1 LEU 25 -11.825 -20.365 3.258 169 HD21 LEU 25 3HD2 LEU 25 -14.874 -19.697 1.191 170 HD22 LEU 25 1HD2 LEU 25 -13.298 -20.524 1.226 171 HD23 LEU 25 2HD2 LEU 25 -13.373 -18.761 1.075 172 H ASN 26 H ASN 26 -17.036 -19.700 5.415 173 HA ASN 26 HA ASN 26 -16.704 -16.939 5.840 174 HB2 ASN 26 1HB ASN 26 -18.802 -18.742 7.157 175 HB3 ASN 26 2HB ASN 26 -18.916 -17.003 6.978 176 HD21 ASN 26 1HD2 ASN 26 -20.885 -18.670 6.254 177 HD22 ASN 26 2HD2 ASN 26 -21.095 -18.577 4.501 178 H VAL 27 H VAL 27 -16.895 -19.525 8.321 179 HA VAL 27 HA VAL 27 -16.686 -17.764 10.536 180 HB VAL 27 HB VAL 27 -17.450 -20.282 10.297 181 HG11 VAL 27 1HG1 VAL 27 -16.076 -21.897 11.363 182 HG12 VAL 27 2HG1 VAL 27 -15.245 -21.279 9.934 183 HG13 VAL 27 3HG1 VAL 27 -14.744 -20.740 11.557 184 HG21 VAL 27 3HG2 VAL 27 -17.901 -18.799 12.141 185 HG22 VAL 27 1HG2 VAL 27 -17.390 -20.376 12.773 186 HG23 VAL 27 2HG2 VAL 27 -16.238 -19.010 12.757 187 H HIS 28 H HIS 28 -14.279 -19.471 8.713 188 HA HIS 28 HA HIS 28 -12.050 -19.059 10.402 189 HB2 HIS 28 1HB HIS 28 -12.103 -20.756 8.719 190 HB3 HIS 28 2HB HIS 28 -12.347 -19.593 7.424 191 HD1 HIS 28 1HD HIS 28 -9.492 -20.824 9.656 192 HD2 HIS 28 2HD HIS 28 -10.299 -18.257 6.429 193 HE1 HIS 28 1HE HIS 28 -7.230 -19.959 8.871 194 H LEU 29 H LEU 29 -13.306 -17.040 7.718 195 HA LEU 29 HA LEU 29 -11.131 -15.220 7.538 196 HB2 LEU 29 1HB LEU 29 -14.093 -14.765 7.044 197 HB3 LEU 29 2HB LEU 29 -12.826 -13.677 6.505 198 HG LEU 29 HG LEU 29 -12.954 -16.567 5.583 199 HD11 LEU 29 1HD1 LEU 29 -15.033 -15.404 4.932 200 HD12 LEU 29 2HD1 LEU 29 -14.005 -15.734 3.528 201 HD13 LEU 29 3HD1 LEU 29 -14.073 -14.092 4.212 202 HD21 LEU 29 3HD2 LEU 29 -11.621 -15.770 3.717 203 HD22 LEU 29 1HD2 LEU 29 -10.773 -15.516 5.245 204 HD23 LEU 29 2HD2 LEU 29 -11.558 -14.139 4.419 205 H ARG 30 H ARG 30 -13.555 -15.436 9.991 206 HA ARG 30 HA ARG 30 -13.712 -12.777 10.952 207 HB2 ARG 30 1HB ARG 30 -13.933 -15.413 12.477 208 HB3 ARG 30 2HB ARG 30 -14.478 -13.855 13.075 209 HG2 ARG 30 1HG ARG 30 -16.065 -13.648 11.177 210 HG3 ARG 30 2HG ARG 30 -15.552 -15.237 10.582 211 HD2 ARG 30 1HD ARG 30 -16.301 -16.280 12.697 212 HD3 ARG 30 2HD ARG 30 -16.835 -14.690 13.285 213 HE ARG 30 HE ARG 30 -18.057 -15.181 10.756 214 HH11 ARG 30 2HH1 ARG 30 -18.328 -16.354 14.046 215 HH12 ARG 30 1HH1 ARG 30 -20.002 -16.793 13.851 216 HH21 ARG 30 2HH2 ARG 30 -20.199 -15.755 10.577 217 HH22 ARG 30 1HH2 ARG 30 -21.025 -16.465 11.932 218 H LYS 31 H LYS 31 -11.111 -15.043 11.362 219 HA LYS 31 HA LYS 31 -9.845 -13.564 13.572 220 HB2 LYS 31 1HB LYS 31 -8.265 -15.235 13.644 221 HB3 LYS 31 2HB LYS 31 -9.745 -16.061 13.155 222 HG2 LYS 31 1HG LYS 31 -8.861 -15.975 10.747 223 HG3 LYS 31 2HG LYS 31 -7.370 -15.296 11.389 224 HD2 LYS 31 1HD LYS 31 -7.020 -17.644 11.078 225 HD3 LYS 31 2HD LYS 31 -7.055 -17.304 12.814 226 HE2 LYS 31 1HE LYS 31 -9.509 -18.029 12.798 227 HE3 LYS 31 2HE LYS 31 -9.286 -18.524 11.120 228 HZ1 LYS 31 3HZ LYS 31 -8.954 -20.384 12.675 229 HZ2 LYS 31 1HZ LYS 31 -7.782 -19.584 13.468 230 HZ3 LYS 31 2HZ LYS 31 -7.528 -20.067 11.932 231 H HIS 32 H HIS 32 -9.750 -13.335 10.160 232 HA HIS 32 HA HIS 32 -7.101 -12.076 10.025 233 HB2 HIS 32 1HB HIS 32 -9.174 -12.692 7.896 234 HB3 HIS 32 2HB HIS 32 -7.591 -11.996 7.582 235 HD1 HIS 32 1HD HIS 32 -5.614 -13.788 9.092 236 HD2 HIS 32 2HD HIS 32 -8.999 -15.112 6.985 237 HE1 HIS 32 1HE HIS 32 -5.109 -16.177 8.421 238 H THR 33 H THR 33 -10.001 -10.706 10.953 239 HA THR 33 HA THR 33 -9.705 -8.187 9.484 240 HB THR 33 HB THR 33 -11.404 -7.341 11.154 241 HG1 THR 33 1HG THR 33 -11.093 -8.871 12.799 242 HG21 THR 33 3HG2 THR 33 -11.951 -8.152 8.906 243 HG22 THR 33 1HG2 THR 33 -13.227 -8.575 10.068 244 HG23 THR 33 2HG2 THR 33 -12.077 -9.820 9.512 245 H GLY 34 H GLY 34 -8.816 -6.300 10.121 246 HA2 GLY 34 1HA GLY 34 -7.789 -5.456 12.575 247 HA3 GLY 34 2HA GLY 34 -6.604 -6.584 11.905 248 H GLU 35 H GLU 35 -5.218 -4.581 11.989 249 HA GLU 35 HA GLU 35 -5.685 -2.474 10.043 250 HB2 GLU 35 1HB GLU 35 -4.349 -2.141 12.119 251 HB3 GLU 35 2HB GLU 35 -3.121 -3.238 11.477 252 HG2 GLU 35 1HG GLU 35 -2.441 -0.923 11.156 253 HG3 GLU 35 2HG GLU 35 -2.693 -1.691 9.596 254 H LYS 36 H LYS 36 -5.034 -2.210 8.038 255 HA LYS 36 HA LYS 36 -3.958 -4.637 6.657 256 HB2 LYS 36 1HB LYS 36 -6.122 -2.665 5.967 257 HB3 LYS 36 2HB LYS 36 -5.243 -3.477 4.668 258 HG2 LYS 36 1HG LYS 36 -6.321 -5.155 6.956 259 HG3 LYS 36 2HG LYS 36 -7.427 -4.568 5.719 260 HD2 LYS 36 1HD LYS 36 -6.022 -5.572 3.945 261 HD3 LYS 36 2HD LYS 36 -4.851 -6.127 5.158 262 HE2 LYS 36 1HE LYS 36 -6.575 -7.596 6.152 263 HE3 LYS 36 2HE LYS 36 -7.754 -7.024 4.961 264 HZ1 LYS 36 3HZ LYS 36 -5.235 -8.457 4.295 265 HZ2 LYS 36 1HZ LYS 36 -6.318 -7.930 3.202 266 HZ3 LYS 36 2HZ LYS 36 -6.720 -9.123 4.273 267 H PHE 37 H PHE 37 -1.975 -4.413 6.441 268 HA PHE 37 HA PHE 37 -0.602 -1.947 5.646 269 HB2 PHE 37 1HB PHE 37 0.421 -4.783 6.124 270 HB3 PHE 37 2HB PHE 37 1.406 -3.335 5.981 271 HD1 PHE 37 2HD PHE 37 1.457 -1.623 7.775 272 HD2 PHE 37 1HD PHE 37 -0.868 -5.223 8.173 273 HE1 PHE 37 2HE PHE 37 1.118 -1.146 10.175 274 HE2 PHE 37 1HE PHE 37 -1.233 -4.738 10.568 275 HZ PHE 37 HZ PHE 37 -0.327 -2.656 11.563 276 H ALA 38 H ALA 38 -1.024 -1.361 3.597 277 HA ALA 38 HA ALA 38 -1.300 -3.359 1.456 278 HB1 ALA 38 1HB ALA 38 -2.238 -1.502 0.179 279 HB2 ALA 38 2HB ALA 38 -3.011 -1.575 1.779 280 HB3 ALA 38 3HB ALA 38 -1.764 -0.352 1.442 281 H CYS 39 H CYS 39 -0.103 -3.503 -0.427 282 HA CYS 39 HA CYS 39 2.599 -2.483 -0.442 283 HB2 CYS 39 1HB CYS 39 1.863 -4.637 -1.243 284 HB3 CYS 39 2HB CYS 39 0.856 -3.880 -2.479 285 H ASP 40 H ASP 40 3.487 -0.888 -1.551 286 HA ASP 40 HA ASP 40 1.766 1.247 -2.645 287 HB2 ASP 40 1HB ASP 40 3.689 1.674 -1.065 288 HB3 ASP 40 2HB ASP 40 4.790 1.160 -2.341 289 H TYR 41 H TYR 41 3.042 -1.576 -3.849 290 HA TYR 41 HA TYR 41 3.651 -0.482 -6.575 291 HB2 TYR 41 1HB TYR 41 4.773 -2.915 -5.150 292 HB3 TYR 41 2HB TYR 41 5.123 -2.428 -6.787 293 HD1 TYR 41 2HD TYR 41 5.407 -1.479 -3.202 294 HD2 TYR 41 1HD TYR 41 6.931 -0.886 -7.189 295 HE1 TYR 41 2HE TYR 41 7.367 -0.237 -2.272 296 HE2 TYR 41 1HE TYR 41 8.925 0.287 -6.257 297 HH TYR 41 HH TYR 41 10.016 0.964 -4.350 298 H CYS 42 H CYS 42 1.817 -2.922 -4.784 299 HA CYS 42 HA CYS 42 0.221 -3.361 -7.225 300 HB2 CYS 42 1HB CYS 42 0.110 -5.771 -6.987 301 HB3 CYS 42 2HB CYS 42 1.763 -5.231 -7.300 302 H SER 43 H SER 43 -1.717 -4.941 -6.528 303 HA SER 43 HA SER 43 -3.284 -3.498 -4.569 304 HB2 SER 43 1HB SER 43 -3.935 -6.075 -6.041 305 HB3 SER 43 2HB SER 43 -5.084 -5.010 -5.210 306 HG SER 43 HG SER 43 -5.029 -4.620 -7.473 307 H PHE 44 H PHE 44 -0.899 -5.593 -3.843 308 HA PHE 44 HA PHE 44 -2.043 -7.574 -2.188 309 HB2 PHE 44 1HB PHE 44 0.167 -7.746 -2.969 310 HB3 PHE 44 2HB PHE 44 0.662 -6.243 -2.227 311 HD1 PHE 44 1HD PHE 44 1.128 -6.100 0.211 312 HD2 PHE 44 2HD PHE 44 0.095 -9.834 -1.690 313 HE1 PHE 44 1HE PHE 44 2.057 -7.337 2.142 314 HE2 PHE 44 2HE PHE 44 1.020 -11.071 0.256 315 HZ PHE 44 HZ PHE 44 2.019 -9.825 2.164 316 H THR 45 H THR 45 -2.329 -7.752 -0.018 317 HA THR 45 HA THR 45 -1.709 -5.566 1.805 318 HB THR 45 HB THR 45 -3.816 -5.711 2.994 319 HG1 THR 45 1HG THR 45 -4.829 -7.076 0.739 320 HG21 THR 45 3HG2 THR 45 -4.133 -4.834 0.112 321 HG22 THR 45 1HG2 THR 45 -3.492 -3.894 1.483 322 HG23 THR 45 2HG2 THR 45 -5.199 -4.375 1.472 323 H CYS 46 H CYS 46 -1.612 -6.150 3.960 324 HA CYS 46 HA CYS 46 -1.833 -9.013 4.700 325 HB2 CYS 46 1HB CYS 46 0.506 -8.532 3.806 326 HB3 CYS 46 2HB CYS 46 0.743 -7.447 5.186 327 HG CYS 46 HG CYS 46 -0.161 -10.663 5.204 328 H LEU 47 H LEU 47 -1.509 -9.309 7.078 329 HA LEU 47 HA LEU 47 -2.561 -7.021 8.662 330 HB2 LEU 47 1HB LEU 47 -2.532 -10.000 9.266 331 HB3 LEU 47 2HB LEU 47 -3.084 -8.754 10.363 332 HG LEU 47 HG LEU 47 -5.004 -9.708 9.502 333 HD11 LEU 47 1HD1 LEU 47 -6.182 -7.889 8.409 334 HD12 LEU 47 2HD1 LEU 47 -4.660 -7.159 7.876 335 HD13 LEU 47 3HD1 LEU 47 -5.059 -7.231 9.605 336 HD21 LEU 47 3HD2 LEU 47 -5.618 -10.046 7.224 337 HD22 LEU 47 1HD2 LEU 47 -4.036 -10.795 7.475 338 HD23 LEU 47 2HD2 LEU 47 -4.164 -9.237 6.624 339 H SER 48 H SER 48 0.357 -7.774 7.761 340 HA SER 48 HA SER 48 1.577 -6.797 10.291 341 HB2 SER 48 1HB SER 48 2.029 -9.165 10.347 342 HB3 SER 48 2HB SER 48 2.567 -9.161 8.658 343 HG SER 48 HG SER 48 4.235 -9.048 10.402 344 H LYS 49 H LYS 49 2.681 -5.093 10.005 345 HA LYS 49 HA LYS 49 3.541 -3.906 7.547 346 HB2 LYS 49 1HB LYS 49 5.168 -2.701 9.223 347 HB3 LYS 49 2HB LYS 49 3.461 -2.318 9.156 348 HG2 LYS 49 1HG LYS 49 3.037 -3.686 11.159 349 HG3 LYS 49 2HG LYS 49 4.751 -4.160 11.215 350 HD2 LYS 49 1HD LYS 49 5.417 -1.845 11.618 351 HD3 LYS 49 2HD LYS 49 3.749 -1.277 11.364 352 HE2 LYS 49 1HE LYS 49 2.977 -2.592 13.294 353 HE3 LYS 49 2HE LYS 49 4.616 -3.205 13.562 354 HZ1 LYS 49 3HZ LYS 49 4.130 -1.321 15.017 355 HZ2 LYS 49 1HZ LYS 49 3.818 -0.346 13.748 356 HZ3 LYS 49 2HZ LYS 49 5.331 -0.913 13.993 357 H GLY 50 H GLY 50 5.097 -6.233 9.707 358 HA2 GLY 50 1HA GLY 50 7.777 -6.040 8.634 359 HA3 GLY 50 2HA GLY 50 7.101 -7.358 9.602 360 H HIS 51 H HIS 51 5.015 -8.293 7.979 361 HA HIS 51 HA HIS 51 6.468 -9.676 5.884 362 HB2 HIS 51 1HB HIS 51 4.610 -10.699 7.149 363 HB3 HIS 51 2HB HIS 51 3.492 -9.555 6.397 364 HD1 HIS 51 1HD HIS 51 2.151 -11.067 4.743 365 HD2 HIS 51 2HD HIS 51 6.302 -11.694 4.648 366 HE1 HIS 51 1HE HIS 51 2.583 -12.674 2.808 367 H LEU 52 H LEU 52 4.238 -6.850 5.848 368 HA LEU 52 HA LEU 52 4.128 -6.526 3.028 369 HB2 LEU 52 1HB LEU 52 2.729 -5.191 4.505 370 HB3 LEU 52 2HB LEU 52 4.145 -4.494 5.293 371 HG LEU 52 HG LEU 52 4.800 -3.366 3.174 372 HD11 LEU 52 1HD1 LEU 52 3.754 -4.897 1.531 373 HD12 LEU 52 2HD1 LEU 52 3.198 -3.242 1.345 374 HD13 LEU 52 3HD1 LEU 52 2.140 -4.433 2.130 375 HD21 LEU 52 3HD2 LEU 52 1.955 -2.704 3.910 376 HD22 LEU 52 1HD2 LEU 52 3.173 -1.637 3.204 377 HD23 LEU 52 2HD2 LEU 52 3.379 -2.222 4.864 378 H LYS 53 H LYS 53 6.693 -5.454 5.350 379 HA LYS 53 HA LYS 53 8.321 -4.129 3.385 380 HB2 LYS 53 1HB LYS 53 8.727 -3.603 5.633 381 HB3 LYS 53 2HB LYS 53 8.707 -5.286 6.155 382 HG2 LYS 53 1HG LYS 53 10.848 -5.720 5.073 383 HG3 LYS 53 2HG LYS 53 10.914 -4.053 4.462 384 HD2 LYS 53 1HD LYS 53 11.088 -3.173 6.714 385 HD3 LYS 53 2HD LYS 53 10.677 -4.758 7.427 386 HE2 LYS 53 1HE LYS 53 12.659 -5.765 6.462 387 HE3 LYS 53 2HE LYS 53 13.106 -4.238 5.683 388 HZ1 LYS 53 3HZ LYS 53 12.956 -4.667 8.627 389 HZ2 LYS 53 1HZ LYS 53 13.361 -3.256 7.909 390 HZ3 LYS 53 2HZ LYS 53 14.336 -4.555 7.766 391 H VAL 54 H VAL 54 8.382 -7.511 4.612 392 HA VAL 54 HA VAL 54 10.487 -8.385 2.905 393 HB VAL 54 HB VAL 54 8.187 -9.960 4.120 394 HG11 VAL 54 1HG1 VAL 54 9.653 -11.958 3.775 395 HG12 VAL 54 2HG1 VAL 54 9.080 -11.263 2.258 396 HG13 VAL 54 3HG1 VAL 54 10.747 -10.958 2.785 397 HG21 VAL 54 3HG2 VAL 54 11.119 -9.673 4.902 398 HG22 VAL 54 1HG2 VAL 54 9.765 -8.880 5.729 399 HG23 VAL 54 2HG2 VAL 54 9.889 -10.644 5.748 400 H HIS 55 H HIS 55 6.943 -8.341 2.284 401 HA HIS 55 HA HIS 55 6.975 -9.509 -0.270 402 HB2 HIS 55 1HB HIS 55 4.893 -9.132 0.880 403 HB3 HIS 55 2HB HIS 55 5.188 -7.402 0.992 404 HD1 HIS 55 1HD HIS 55 4.091 -10.009 -1.597 405 HD2 HIS 55 2HD HIS 55 4.499 -5.860 -1.060 406 HE1 HIS 55 1HE HIS 55 3.000 -8.938 -3.622 407 H ILE 56 H ILE 56 7.452 -6.028 0.542 408 HA ILE 56 HA ILE 56 7.868 -5.316 -2.252 409 HB ILE 56 HB ILE 56 8.501 -3.874 0.326 410 HG12 ILE 56 1HG1 ILE 56 6.259 -3.345 -1.671 411 HG13 ILE 56 2HG1 ILE 56 6.049 -4.350 -0.244 412 HG21 ILE 56 1HG2 ILE 56 8.794 -1.854 -1.105 413 HG22 ILE 56 2HG2 ILE 56 9.967 -3.094 -1.531 414 HG23 ILE 56 3HG2 ILE 56 8.536 -2.852 -2.553 415 HD11 ILE 56 3HD1 ILE 56 6.759 -1.403 -0.188 416 HD12 ILE 56 1HD1 ILE 56 5.206 -2.152 0.219 417 HD13 ILE 56 2HD1 ILE 56 6.625 -2.475 1.232 418 H GLU 57 H GLU 57 10.106 -6.116 0.415 419 HA GLU 57 HA GLU 57 12.552 -5.600 -0.974 420 HB2 GLU 57 1HB GLU 57 11.802 -7.425 1.329 421 HB3 GLU 57 2HB GLU 57 13.459 -7.258 0.784 422 HG2 GLU 57 1HG GLU 57 11.850 -4.798 1.553 423 HG3 GLU 57 2HG GLU 57 12.613 -5.826 2.756 424 H ARG 58 H ARG 58 10.384 -8.265 -1.195 425 HA ARG 58 HA ARG 58 12.367 -9.896 -2.749 426 HB2 ARG 58 1HB ARG 58 11.245 -11.824 -2.225 427 HB3 ARG 58 2HB ARG 58 11.095 -10.850 -0.777 428 HG2 ARG 58 1HG ARG 58 8.775 -10.189 -1.595 429 HG3 ARG 58 2HG ARG 58 8.965 -11.445 -2.838 430 HD2 ARG 58 1HD ARG 58 9.292 -13.124 -1.021 431 HD3 ARG 58 2HD ARG 58 9.043 -11.831 0.166 432 HE ARG 58 HE ARG 58 6.939 -12.448 -1.871 433 HH11 ARG 58 2HH1 ARG 58 7.764 -12.543 1.538 434 HH12 ARG 58 1HH1 ARG 58 6.081 -12.599 2.021 435 HH21 ARG 58 2HH2 ARG 58 4.843 -12.736 -1.151 436 HH22 ARG 58 1HH2 ARG 58 4.530 -12.764 0.561 437 H VAL 59 H VAL 59 9.094 -8.513 -3.160 438 HA VAL 59 HA VAL 59 9.037 -9.611 -5.865 439 HB VAL 59 HB VAL 59 6.900 -7.934 -4.505 440 HG11 VAL 59 1HG1 VAL 59 6.665 -7.971 -6.968 441 HG12 VAL 59 2HG1 VAL 59 6.780 -9.743 -6.957 442 HG13 VAL 59 3HG1 VAL 59 5.397 -8.921 -6.200 443 HG21 VAL 59 3HG2 VAL 59 7.141 -9.977 -3.231 444 HG22 VAL 59 1HG2 VAL 59 5.713 -10.133 -4.236 445 HG23 VAL 59 2HG2 VAL 59 7.213 -10.959 -4.716 446 H HIS 60 H HIS 60 9.036 -6.359 -4.358 447 HA HIS 60 HA HIS 60 9.258 -5.109 -7.040 448 HB2 HIS 60 1HB HIS 60 8.285 -3.840 -4.498 449 HB3 HIS 60 2HB HIS 60 8.134 -3.235 -6.143 450 HD1 HIS 60 1HD HIS 60 6.431 -4.850 -7.772 451 HD2 HIS 60 2HD HIS 60 6.278 -5.142 -3.580 452 HE1 HIS 60 1HE HIS 60 4.159 -5.864 -7.230 453 H LYS 61 H LYS 61 11.542 -6.025 -5.276 454 HA LYS 61 HA LYS 61 12.974 -3.535 -4.643 455 HB2 LYS 61 1HB LYS 61 12.974 -5.378 -3.144 456 HB3 LYS 61 2HB LYS 61 13.632 -6.478 -4.334 457 HG2 LYS 61 1HG LYS 61 15.158 -4.001 -3.411 458 HG3 LYS 61 2HG LYS 61 15.111 -5.446 -2.421 459 HD2 LYS 61 1HD LYS 61 16.329 -5.184 -5.182 460 HD3 LYS 61 2HD LYS 61 17.155 -5.468 -3.664 461 HE2 LYS 61 1HE LYS 61 15.340 -7.390 -5.174 462 HE3 LYS 61 2HE LYS 61 17.087 -7.500 -4.985 463 HZ1 LYS 61 3HZ LYS 61 16.014 -8.984 -3.431 464 HZ2 LYS 61 1HZ LYS 61 15.087 -7.806 -2.789 465 HZ3 LYS 61 2HZ LYS 61 16.715 -7.796 -2.563 466 H LYS 62 H LYS 62 14.627 -2.648 -5.687 467 HA LYS 62 HA LYS 62 15.667 -1.816 -7.510 468 HB2 LYS 62 1HB LYS 62 17.179 -3.681 -6.725 469 HB3 LYS 62 2HB LYS 62 16.579 -4.654 -8.075 470 HG2 LYS 62 1HG LYS 62 17.433 -2.887 -9.653 471 HG3 LYS 62 2HG LYS 62 17.990 -1.947 -8.259 472 HD2 LYS 62 1HD LYS 62 19.522 -3.805 -7.621 473 HD3 LYS 62 2HD LYS 62 18.906 -4.770 -8.968 474 HE2 LYS 62 1HE LYS 62 20.995 -3.872 -9.670 475 HE3 LYS 62 2HE LYS 62 19.728 -3.038 -10.573 476 HZ1 LYS 62 3HZ LYS 62 19.978 -1.153 -9.039 477 HZ2 LYS 62 1HZ LYS 62 21.418 -1.501 -9.719 478 HZ3 LYS 62 2HZ LYS 62 21.124 -1.946 -8.180 479 H ILE 63 H ILE 63 13.199 -1.760 -8.035 480 HA ILE 63 HA ILE 63 12.611 -3.017 -10.658 481 HB ILE 63 HB ILE 63 11.106 -3.346 -8.693 482 HG12 ILE 63 1HG1 ILE 63 9.750 -2.080 -11.097 483 HG13 ILE 63 2HG1 ILE 63 10.460 -3.698 -11.088 484 HG21 ILE 63 1HG2 ILE 63 10.184 -0.489 -9.232 485 HG22 ILE 63 2HG2 ILE 63 9.559 -1.613 -8.007 486 HG23 ILE 63 3HG2 ILE 63 11.189 -0.968 -7.846 487 HD11 ILE 63 3HD1 ILE 63 8.901 -4.359 -9.259 488 HD12 ILE 63 1HD1 ILE 63 8.126 -2.758 -9.368 489 HD13 ILE 63 2HD1 ILE 63 8.071 -3.867 -10.746 490 H LYS 64 H LYS 64 12.009 -1.894 -12.475 491 HA LYS 64 HA LYS 64 12.651 1.003 -12.626 492 HB2 LYS 64 1HB LYS 64 12.528 0.765 -15.013 493 HB3 LYS 64 2HB LYS 64 13.598 -0.461 -14.332 494 HG2 LYS 64 1HG LYS 64 11.759 -2.153 -14.535 495 HG3 LYS 64 2HG LYS 64 10.723 -0.910 -15.263 496 HD2 LYS 64 1HD LYS 64 12.341 -0.642 -17.122 497 HD3 LYS 64 2HD LYS 64 13.390 -1.876 -16.388 498 HE2 LYS 64 1HE LYS 64 11.540 -3.537 -16.567 499 HE3 LYS 64 2HE LYS 64 10.513 -2.311 -17.321 500 HZ1 LYS 64 3HZ LYS 64 12.122 -2.192 -19.154 501 HZ2 LYS 64 1HZ LYS 64 11.577 -3.721 -18.986 502 HZ3 LYS 64 2HZ LYS 64 13.069 -3.327 -18.455 503 H GLN 65 H GLN 65 11.239 2.539 -13.513 504 HA GLN 65 HA GLN 65 8.313 1.993 -13.216 505 HB2 GLN 65 1HB GLN 65 9.934 4.230 -11.911 506 HB3 GLN 65 2HB GLN 65 8.178 4.133 -11.919 507 HG2 GLN 65 1HG GLN 65 9.969 2.057 -10.607 508 HG3 GLN 65 2HG GLN 65 9.223 3.419 -9.795 509 HE21 GLN 65 1HE2 GLN 65 8.530 1.161 -8.627 510 HE22 GLN 65 2HE2 GLN 65 6.909 0.674 -9.107 511 H HIS 66 H HIS 66 6.971 3.873 -13.973 512 HA HIS 66 HA HIS 66 8.333 5.745 -15.763 513 HB2 HIS 66 1HB HIS 66 6.955 5.419 -17.660 514 HB3 HIS 66 2HB HIS 66 7.636 3.855 -17.243 515 HD1 HIS 66 1HD HIS 66 5.826 2.030 -16.206 516 HD2 HIS 66 2HD HIS 66 4.313 5.698 -17.612 517 HE1 HIS 66 1HE HIS 66 3.302 1.731 -16.415 518 H CYS 67 H CYS 67 7.304 7.665 -16.106 519 HA CYS 67 HA CYS 67 5.275 8.553 -14.179 520 HB2 CYS 67 1HB CYS 67 7.229 9.919 -14.867 521 HB3 CYS 67 2HB CYS 67 6.688 9.844 -16.549 522 H ARG 68 H ARG 68 3.094 8.295 -14.572 523 HA ARG 68 HA ARG 68 2.165 7.415 -17.191 524 HB2 ARG 68 1HB ARG 68 -0.005 7.269 -16.324 525 HB3 ARG 68 2HB ARG 68 1.098 6.627 -15.131 526 HG2 ARG 68 1HG ARG 68 -0.285 9.353 -15.044 527 HG3 ARG 68 2HG ARG 68 -0.763 7.916 -14.157 528 HD2 ARG 68 1HD ARG 68 1.746 9.567 -13.718 529 HD3 ARG 68 2HD ARG 68 0.331 9.433 -12.677 530 HE ARG 68 HE ARG 68 1.681 6.875 -13.201 531 HH11 ARG 68 2HH1 ARG 68 1.413 9.530 -10.946 532 HH12 ARG 68 1HH1 ARG 68 2.128 8.616 -9.644 533 HH21 ARG 68 2HH2 ARG 68 2.671 5.797 -11.535 534 HH22 ARG 68 1HH2 ARG 68 2.826 6.560 -9.982 535 H PHE 69 H PHE 69 2.649 10.546 -15.879 536 HA PHE 69 HA PHE 69 0.615 11.888 -17.471 537 HB2 PHE 69 1HB PHE 69 2.921 13.053 -15.894 538 HB3 PHE 69 2HB PHE 69 1.502 13.909 -16.455 539 HD1 PHE 69 2HD PHE 69 -0.840 12.786 -15.610 540 HD2 PHE 69 1HD PHE 69 2.979 12.451 -13.634 541 HE1 PHE 69 2HE PHE 69 -1.988 12.365 -13.448 542 HE2 PHE 69 1HE PHE 69 1.828 12.079 -11.469 543 HZ PHE 69 HZ PHE 69 -0.660 12.029 -11.373 544 H CYS 70 H CYS 70 4.147 11.468 -17.762 545 HA CYS 70 HA CYS 70 4.023 12.638 -20.505 546 HB2 CYS 70 1HB CYS 70 6.147 13.685 -20.222 547 HB3 CYS 70 2HB CYS 70 4.995 14.271 -19.025 548 H LYS 71 H LYS 71 4.480 9.801 -18.951 549 HA LYS 71 HA LYS 71 5.339 7.786 -19.456 550 HB2 LYS 71 1HB LYS 71 4.755 8.779 -22.239 551 HB3 LYS 71 2HB LYS 71 5.063 7.086 -21.797 552 HG2 LYS 71 1HG LYS 71 3.213 7.125 -20.165 553 HG3 LYS 71 2HG LYS 71 2.885 8.826 -20.531 554 HD2 LYS 71 1HD LYS 71 2.237 8.263 -22.819 555 HD3 LYS 71 2HD LYS 71 2.675 6.572 -22.533 556 HE2 LYS 71 1HE LYS 71 0.261 6.822 -22.367 557 HE3 LYS 71 2HE LYS 71 0.934 6.363 -20.803 558 HZ1 LYS 71 3HZ LYS 71 -0.743 8.154 -20.664 559 HZ2 LYS 71 1HZ LYS 71 0.197 9.149 -21.547 560 HZ3 LYS 71 2HZ LYS 71 0.677 8.657 -20.054 561 H LYS 72 H LYS 72 7.228 9.779 -18.928 562 HA LYS 72 HA LYS 72 9.760 8.945 -20.134 563 HB2 LYS 72 1HB LYS 72 9.198 11.232 -19.070 564 HB3 LYS 72 2HB LYS 72 9.239 10.429 -17.518 565 HG2 LYS 72 1HG LYS 72 11.589 9.824 -17.819 566 HG3 LYS 72 2HG LYS 72 11.575 10.416 -19.492 567 HD2 LYS 72 1HD LYS 72 11.254 12.711 -18.757 568 HD3 LYS 72 2HD LYS 72 11.017 12.199 -17.079 569 HE2 LYS 72 1HE LYS 72 13.349 11.203 -17.130 570 HE3 LYS 72 2HE LYS 72 13.574 11.937 -18.727 571 HZ1 LYS 72 3HZ LYS 72 14.439 13.364 -16.960 572 HZ2 LYS 72 1HZ LYS 72 12.987 13.396 -16.209 573 HZ3 LYS 72 2HZ LYS 72 13.176 14.117 -17.673 574 H LYS 73 H LYS 73 11.155 7.385 -19.349 575 HA LYS 73 HA LYS 73 10.177 5.584 -17.184 576 HB2 LYS 73 1HB LYS 73 12.269 5.235 -19.344 577 HB3 LYS 73 2HB LYS 73 12.094 4.111 -17.987 578 HG2 LYS 73 1HG LYS 73 9.747 3.692 -18.552 579 HG3 LYS 73 2HG LYS 73 9.833 4.816 -19.903 580 HD2 LYS 73 1HD LYS 73 11.449 2.246 -19.595 581 HD3 LYS 73 2HD LYS 73 10.003 2.409 -20.584 582 HE2 LYS 73 1HE LYS 73 12.595 3.966 -21.028 583 HE3 LYS 73 2HE LYS 73 12.173 2.466 -21.853 584 HZ1 LYS 73 3HZ LYS 73 11.587 4.379 -23.205 585 HZ2 LYS 73 1HZ LYS 73 10.609 4.986 -22.051 586 HZ3 LYS 73 2HZ LYS 73 10.228 3.580 -22.795 587 H TYR 74 H TYR 74 11.339 4.960 -15.469 588 HA TYR 74 HA TYR 74 13.615 6.676 -14.577 589 HB2 TYR 74 1HB TYR 74 10.882 6.338 -13.320 590 HB3 TYR 74 2HB TYR 74 12.286 6.577 -12.299 591 HD1 TYR 74 1HD TYR 74 10.334 8.158 -15.084 592 HD2 TYR 74 2HD TYR 74 13.313 8.681 -12.007 593 HE1 TYR 74 1HE TYR 74 10.458 10.587 -15.624 594 HE2 TYR 74 2HE TYR 74 13.430 11.111 -12.538 595 HH TYR 74 HH TYR 74 12.756 12.764 -13.902 596 H SER 75 H SER 75 15.210 5.626 -13.611 597 HA SER 75 HA SER 75 15.079 2.737 -13.145 598 HB2 SER 75 1HB SER 75 17.501 3.029 -12.645 599 HB3 SER 75 2HB SER 75 17.019 3.641 -14.236 600 HG SER 75 HG SER 75 18.380 5.118 -13.098 601 H ASP 76 H ASP 76 14.294 5.394 -11.260 602 HA ASP 76 HA ASP 76 14.400 3.822 -8.740 603 HB2 ASP 76 1HB ASP 76 16.339 5.338 -8.619 604 HB3 ASP 76 2HB ASP 76 15.356 6.679 -9.159 605 H VAL 77 H VAL 77 12.495 3.890 -7.685 606 HA VAL 77 HA VAL 77 10.249 5.422 -8.683 607 HB VAL 77 HB VAL 77 10.113 3.202 -7.520 608 HG11 VAL 77 1HG1 VAL 77 10.360 4.777 -4.927 609 HG12 VAL 77 2HG1 VAL 77 10.000 3.061 -5.116 610 HG13 VAL 77 3HG1 VAL 77 11.599 3.668 -5.571 611 HG21 VAL 77 3HG2 VAL 77 7.980 3.667 -6.440 612 HG22 VAL 77 1HG2 VAL 77 8.370 5.395 -6.329 613 HG23 VAL 77 2HG2 VAL 77 8.130 4.634 -7.917 614 H LYS 78 H LYS 78 12.598 6.008 -6.012 615 HA LYS 78 HA LYS 78 11.025 8.154 -4.865 616 HB2 LYS 78 1HB LYS 78 14.006 7.613 -4.590 617 HB3 LYS 78 2HB LYS 78 13.065 8.758 -3.638 618 HG2 LYS 78 1HG LYS 78 11.643 6.900 -2.798 619 HG3 LYS 78 2HG LYS 78 12.615 5.740 -3.726 620 HD2 LYS 78 1HD LYS 78 14.640 6.414 -2.460 621 HD3 LYS 78 2HD LYS 78 13.664 7.562 -1.516 622 HE2 LYS 78 1HE LYS 78 12.248 5.684 -0.705 623 HE3 LYS 78 2HE LYS 78 13.221 4.543 -1.643 624 HZ1 LYS 78 3HZ LYS 78 14.249 6.231 0.580 625 HZ2 LYS 78 1HZ LYS 78 15.149 5.177 -0.288 626 HZ3 LYS 78 2HZ LYS 78 13.949 4.629 0.672 627 H ASN 79 H ASN 79 13.648 8.214 -7.331 628 HA ASN 79 HA ASN 79 13.388 11.073 -7.685 629 HB2 ASN 79 1HB ASN 79 14.649 8.852 -9.320 630 HB3 ASN 79 2HB ASN 79 14.466 10.459 -10.005 631 HD21 ASN 79 1HD2 ASN 79 15.965 8.736 -7.230 632 HD22 ASN 79 2HD2 ASN 79 17.230 9.950 -7.039 633 H LEU 80 H LEU 80 11.472 8.396 -9.051 634 HA LEU 80 HA LEU 80 10.085 9.991 -10.981 635 HB2 LEU 80 1HB LEU 80 9.946 7.527 -10.922 636 HB3 LEU 80 2HB LEU 80 9.102 7.620 -9.365 637 HG LEU 80 HG LEU 80 7.196 8.743 -10.361 638 HD11 LEU 80 1HD1 LEU 80 8.656 8.403 -13.010 639 HD12 LEU 80 2HD1 LEU 80 8.292 9.956 -12.221 640 HD13 LEU 80 3HD1 LEU 80 6.972 8.941 -12.789 641 HD21 LEU 80 3HD2 LEU 80 7.323 6.252 -10.325 642 HD22 LEU 80 1HD2 LEU 80 7.969 6.310 -11.987 643 HD23 LEU 80 2HD2 LEU 80 6.327 6.891 -11.647 644 H ILE 81 H ILE 81 9.424 9.401 -7.473 645 HA ILE 81 HA ILE 81 7.048 10.964 -7.335 646 HB ILE 81 HB ILE 81 9.086 10.783 -5.097 647 HG12 ILE 81 1HG1 ILE 81 8.861 8.562 -5.678 648 HG13 ILE 81 2HG1 ILE 81 7.884 8.808 -4.287 649 HG21 ILE 81 1HG2 ILE 81 7.064 10.948 -3.670 650 HG22 ILE 81 2HG2 ILE 81 7.267 12.361 -4.711 651 HG23 ILE 81 3HG2 ILE 81 6.063 11.127 -5.130 652 HD11 ILE 81 3HD1 ILE 81 6.719 7.328 -5.827 653 HD12 ILE 81 1HD1 ILE 81 5.823 8.853 -5.711 654 HD13 ILE 81 2HD1 ILE 81 6.838 8.517 -7.133 655 H LYS 82 H LYS 82 10.452 11.923 -6.836 656 HA LYS 82 HA LYS 82 9.966 14.705 -6.334 657 HB2 LYS 82 1HB LYS 82 12.116 13.519 -5.894 658 HB3 LYS 82 2HB LYS 82 12.349 13.300 -7.630 659 HG2 LYS 82 1HG LYS 82 12.539 15.755 -7.930 660 HG3 LYS 82 2HG LYS 82 12.227 15.993 -6.204 661 HD2 LYS 82 1HD LYS 82 14.615 16.190 -6.679 662 HD3 LYS 82 2HD LYS 82 14.312 14.779 -5.652 663 HE2 LYS 82 1HE LYS 82 14.427 13.303 -7.655 664 HE3 LYS 82 2HE LYS 82 14.716 14.709 -8.684 665 HZ1 LYS 82 3HZ LYS 82 16.514 13.889 -6.465 666 HZ2 LYS 82 1HZ LYS 82 16.821 15.043 -7.585 667 HZ3 LYS 82 2HZ LYS 82 16.734 13.460 -8.022 668 H HIS 83 H HIS 83 10.563 13.037 -9.464 669 HA HIS 83 HA HIS 83 10.270 15.307 -11.172 670 HB2 HIS 83 1HB HIS 83 11.137 13.275 -12.057 671 HB3 HIS 83 2HB HIS 83 9.758 12.334 -11.514 672 HD1 HIS 83 1HD HIS 83 10.582 14.949 -14.226 673 HD2 HIS 83 2HD HIS 83 7.661 12.155 -13.076 674 HE1 HIS 83 1HE HIS 83 8.964 14.812 -16.173 675 H ILE 84 H ILE 84 7.708 13.095 -9.916 676 HA ILE 84 HA ILE 84 5.545 14.482 -11.197 677 HB ILE 84 HB ILE 84 5.738 12.674 -8.790 678 HG12 ILE 84 1HG1 ILE 84 4.367 12.183 -11.462 679 HG13 ILE 84 2HG1 ILE 84 6.085 11.872 -11.229 680 HG21 ILE 84 1HG2 ILE 84 3.203 13.905 -9.960 681 HG22 ILE 84 2HG2 ILE 84 3.224 12.529 -8.837 682 HG23 ILE 84 3HG2 ILE 84 3.816 14.092 -8.301 683 HD11 ILE 84 3HD1 ILE 84 4.889 9.812 -10.908 684 HD12 ILE 84 1HD1 ILE 84 5.578 10.338 -9.353 685 HD13 ILE 84 2HD1 ILE 84 3.843 10.543 -9.674 686 H ARG 85 H ARG 85 6.938 14.917 -7.922 687 HA ARG 85 HA ARG 85 5.236 17.097 -7.157 688 HB2 ARG 85 1HB ARG 85 8.046 16.313 -6.282 689 HB3 ARG 85 2HB ARG 85 7.123 17.622 -5.535 690 HG2 ARG 85 1HG ARG 85 5.299 16.075 -4.973 691 HG3 ARG 85 2HG ARG 85 6.175 14.718 -5.666 692 HD2 ARG 85 1HD ARG 85 7.171 16.452 -3.376 693 HD3 ARG 85 2HD ARG 85 6.325 14.901 -3.182 694 HE ARG 85 HE ARG 85 8.461 14.347 -4.875 695 HH11 ARG 85 2HH1 ARG 85 8.182 15.505 -1.583 696 HH12 ARG 85 1HH1 ARG 85 9.678 14.764 -1.087 697 HH21 ARG 85 2HH2 ARG 85 10.379 13.393 -4.157 698 HH22 ARG 85 1HH2 ARG 85 10.877 13.618 -2.511 699 H ASP 86 H ASP 86 8.128 17.171 -9.147 700 HA ASP 86 HA ASP 86 8.246 20.121 -9.113 701 HB2 ASP 86 1HB ASP 86 9.889 17.985 -10.511 702 HB3 ASP 86 2HB ASP 86 10.127 19.710 -10.765 703 H ALA 87 H ALA 87 7.494 17.621 -11.591 704 HA ALA 87 HA ALA 87 6.882 19.739 -13.561 705 HB1 ALA 87 1HB ALA 87 7.144 16.721 -13.864 706 HB2 ALA 87 2HB ALA 87 7.033 17.913 -15.173 707 HB3 ALA 87 3HB ALA 87 8.451 17.903 -14.104 708 H HIS 88 H HIS 88 5.134 17.347 -11.651 709 HA HIS 88 HA HIS 88 2.582 17.991 -13.059 710 HB2 HIS 88 1HB HIS 88 3.413 15.303 -11.931 711 HB3 HIS 88 2HB HIS 88 1.991 15.673 -12.890 712 HD1 HIS 88 1HD HIS 88 2.959 16.840 -15.505 713 HD2 HIS 88 2HD HIS 88 5.165 14.045 -13.278 714 HE1 HIS 88 1HE HIS 88 4.567 15.763 -17.154 715 H ASP 89 H ASP 89 3.715 19.156 -10.619 716 HA ASP 89 HA ASP 89 3.280 18.360 -8.216 717 HB2 ASP 89 1HB ASP 89 2.894 20.590 -7.434 718 HB3 ASP 89 2HB ASP 89 4.080 20.548 -8.725 719 HA PRO 90 HA PRO 90 -1.045 17.216 -8.063 720 HB2 PRO 90 1HB PRO 90 -1.016 15.403 -6.091 721 HB3 PRO 90 2HB PRO 90 -0.145 15.158 -7.634 722 HG2 PRO 90 1HG PRO 90 1.011 16.188 -5.013 723 HG3 PRO 90 2HG PRO 90 1.629 14.849 -6.035 724 HD2 PRO 90 1HD PRO 90 2.586 17.412 -6.229 725 HD3 PRO 90 2HD PRO 90 2.455 16.332 -7.650 726 H GLN 91 H GLN 91 -1.014 19.610 -7.376 727 HA GLN 91 HA GLN 91 -1.948 20.105 -4.602 728 HB2 GLN 91 1HB GLN 91 -1.488 22.004 -6.931 729 HB3 GLN 91 2HB GLN 91 -1.995 22.479 -5.302 730 HG2 GLN 91 1HG GLN 91 0.093 21.429 -4.379 731 HG3 GLN 91 2HG GLN 91 0.635 21.115 -6.028 732 HE21 GLN 91 2HE2 GLN 91 2.455 22.509 -4.814 733 HE22 GLN 91 1HE2 GLN 91 2.334 24.234 -5.129 734 H ASP 92 H ASP 92 -3.423 19.233 -7.491 735 HA ASP 92 HA ASP 92 -5.510 19.245 -8.375 736 HB2 ASP 92 1HB ASP 92 -5.653 17.606 -6.583 737 HB3 ASP 92 2HB ASP 92 -6.228 18.834 -5.463 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -37.990 -14.325 -15.491 2 H2 GLY 1 2H GLY 1 -39.542 -14.851 -15.544 3 H3 GLY 1 3H GLY 1 -38.341 -15.769 -16.177 4 HA2 GLY 1 1HA GLY 1 -38.673 -15.116 -13.321 5 HA3 GLY 1 2HA GLY 1 -39.050 -16.679 -14.066 6 H SER 2 H SER 2 -37.476 -17.117 -12.144 7 HA SER 2 HA SER 2 -34.825 -17.724 -13.290 8 HB2 SER 2 1HB SER 2 -34.480 -15.528 -12.240 9 HB3 SER 2 2HB SER 2 -35.157 -16.132 -10.715 10 HG SER 2 HG SER 2 -32.802 -16.152 -10.883 11 H SER 3 H SER 3 -33.788 -19.450 -12.299 12 HA SER 3 HA SER 3 -35.369 -21.303 -10.672 13 HB2 SER 3 1HB SER 3 -32.443 -21.424 -11.499 14 HB3 SER 3 2HB SER 3 -33.409 -22.757 -10.849 15 HG SER 3 HG SER 3 -34.724 -22.654 -12.710 16 H GLY 4 H GLY 4 -33.342 -18.640 -9.915 17 HA2 GLY 4 1HA GLY 4 -32.645 -17.781 -7.882 18 HA3 GLY 4 2HA GLY 4 -33.433 -19.120 -7.054 19 H SER 5 H SER 5 -31.458 -18.787 -5.695 20 HA SER 5 HA SER 5 -28.857 -19.682 -6.654 21 HB2 SER 5 1HB SER 5 -29.110 -18.055 -4.805 22 HB3 SER 5 2HB SER 5 -29.892 -19.305 -3.820 23 HG SER 5 HG SER 5 -27.203 -19.165 -4.722 24 H SER 6 H SER 6 -27.781 -21.600 -6.240 25 HA SER 6 HA SER 6 -29.255 -24.054 -5.738 26 HB2 SER 6 1HB SER 6 -26.256 -23.535 -5.743 27 HB3 SER 6 2HB SER 6 -27.051 -25.118 -5.816 28 HG SER 6 HG SER 6 -26.436 -24.361 -7.898 29 H GLY 7 H GLY 7 -27.834 -21.676 -3.659 30 HA2 GLY 7 1HA GLY 7 -28.825 -22.172 -1.298 31 HA3 GLY 7 2HA GLY 7 -27.656 -23.492 -1.295 32 H LYS 8 H LYS 8 -27.936 -21.010 0.337 33 HA LYS 8 HA LYS 8 -26.718 -19.374 1.326 34 HB2 LYS 8 1HB LYS 8 -24.472 -21.318 0.773 35 HB3 LYS 8 2HB LYS 8 -24.404 -19.965 1.913 36 HG2 LYS 8 1HG LYS 8 -26.334 -20.901 3.164 37 HG3 LYS 8 2HG LYS 8 -26.341 -22.308 2.097 38 HD2 LYS 8 1HD LYS 8 -24.036 -21.468 3.909 39 HD3 LYS 8 2HD LYS 8 -25.215 -22.737 4.257 40 HE2 LYS 8 1HE LYS 8 -24.472 -23.973 2.216 41 HE3 LYS 8 2HE LYS 8 -23.245 -22.732 1.924 42 HZ1 LYS 8 3HZ LYS 8 -23.380 -24.466 4.335 43 HZ2 LYS 8 1HZ LYS 8 -22.253 -23.310 4.083 44 HZ3 LYS 8 2HZ LYS 8 -22.311 -24.625 3.116 45 HA PRO 9 HA PRO 9 -25.465 -17.494 -2.785 46 HB2 PRO 9 1HB PRO 9 -27.179 -15.297 -2.613 47 HB3 PRO 9 2HB PRO 9 -27.564 -16.876 -3.336 48 HG2 PRO 9 1HG PRO 9 -28.265 -15.939 -0.581 49 HG3 PRO 9 2HG PRO 9 -29.309 -16.754 -1.783 50 HD2 PRO 9 1HD PRO 9 -28.106 -18.146 0.202 51 HD3 PRO 9 2HD PRO 9 -28.238 -18.830 -1.443 52 H TYR 10 H TYR 10 -25.853 -16.005 0.426 53 HA TYR 10 HA TYR 10 -24.265 -13.667 -0.271 54 HB2 TYR 10 1HB TYR 10 -25.340 -14.671 2.383 55 HB3 TYR 10 2HB TYR 10 -24.568 -13.112 2.123 56 HD1 TYR 10 1HD TYR 10 -27.565 -15.165 1.413 57 HD2 TYR 10 2HD TYR 10 -25.721 -11.301 0.931 58 HE1 TYR 10 1HE TYR 10 -29.763 -14.207 0.812 59 HE2 TYR 10 2HE TYR 10 -27.934 -10.337 0.285 60 HH TYR 10 HH TYR 10 -30.920 -12.315 0.188 61 H LYS 11 H LYS 11 -22.148 -13.953 -0.643 62 HA LYS 11 HA LYS 11 -20.525 -15.879 0.956 63 HB2 LYS 11 1HB LYS 11 -19.689 -14.365 -1.539 64 HB3 LYS 11 2HB LYS 11 -18.895 -15.751 -0.804 65 HG2 LYS 11 1HG LYS 11 -21.541 -15.726 -2.302 66 HG3 LYS 11 2HG LYS 11 -20.007 -16.404 -2.833 67 HD2 LYS 11 1HD LYS 11 -20.120 -18.094 -0.992 68 HD3 LYS 11 2HD LYS 11 -21.664 -17.397 -0.479 69 HE2 LYS 11 1HE LYS 11 -22.194 -19.328 -1.746 70 HE3 LYS 11 2HE LYS 11 -22.646 -17.918 -2.703 71 HZ1 LYS 11 3HZ LYS 11 -20.155 -19.508 -3.082 72 HZ2 LYS 11 1HZ LYS 11 -20.597 -18.227 -3.999 73 HZ3 LYS 11 2HZ LYS 11 -21.476 -19.598 -4.032 74 H CYS 12 H CYS 12 -18.586 -15.347 1.962 75 HA CYS 12 HA CYS 12 -18.221 -12.599 2.833 76 HB2 CYS 12 1HB CYS 12 -17.928 -14.447 4.322 77 HB3 CYS 12 2HB CYS 12 -16.665 -15.141 3.293 78 HA PRO 13 HA PRO 13 -15.321 -11.743 -0.550 79 HB2 PRO 13 1HB PRO 13 -14.600 -9.205 0.129 80 HB3 PRO 13 2HB PRO 13 -16.229 -9.610 -0.491 81 HG2 PRO 13 1HG PRO 13 -15.368 -9.168 2.370 82 HG3 PRO 13 2HG PRO 13 -16.833 -8.564 1.542 83 HD2 PRO 13 1HD PRO 13 -16.747 -10.861 3.133 84 HD3 PRO 13 2HD PRO 13 -17.937 -10.595 1.828 85 H GLN 14 H GLN 14 -14.590 -12.247 2.758 86 HA GLN 14 HA GLN 14 -11.651 -11.872 2.343 87 HB2 GLN 14 1HB GLN 14 -13.158 -11.842 4.975 88 HB3 GLN 14 2HB GLN 14 -11.471 -11.431 4.667 89 HG2 GLN 14 1HG GLN 14 -12.537 -9.668 2.981 90 HG3 GLN 14 2HG GLN 14 -13.983 -9.910 3.961 91 HE21 GLN 14 1HE2 GLN 14 -14.203 -8.273 5.471 92 HE22 GLN 14 2HE2 GLN 14 -12.848 -7.506 6.282 93 H CYS 15 H CYS 15 -14.072 -14.278 3.291 94 HA CYS 15 HA CYS 15 -11.921 -16.305 3.106 95 HB2 CYS 15 1HB CYS 15 -12.451 -17.401 5.162 96 HB3 CYS 15 2HB CYS 15 -12.064 -15.721 5.499 97 H SER 16 H SER 16 -13.194 -18.588 3.632 98 HA SER 16 HA SER 16 -14.788 -18.975 1.234 99 HB2 SER 16 1HB SER 16 -14.673 -21.366 1.886 100 HB3 SER 16 2HB SER 16 -13.091 -20.576 1.819 101 HG SER 16 HG SER 16 -13.350 -21.863 3.714 102 H TYR 17 H TYR 17 -15.798 -17.842 4.160 103 HA TYR 17 HA TYR 17 -18.051 -19.386 4.866 104 HB2 TYR 17 1HB TYR 17 -17.072 -17.697 6.292 105 HB3 TYR 17 2HB TYR 17 -17.446 -16.431 5.147 106 HD1 TYR 17 1HD TYR 17 -18.880 -18.894 7.554 107 HD2 TYR 17 2HD TYR 17 -19.689 -15.408 5.138 108 HE1 TYR 17 1HE TYR 17 -20.986 -18.487 8.827 109 HE2 TYR 17 2HE TYR 17 -21.760 -14.986 6.440 110 HH TYR 17 HH TYR 17 -22.960 -15.560 8.306 111 H ALA 18 H ALA 18 -20.199 -19.296 4.475 112 HA ALA 18 HA ALA 18 -21.360 -17.342 2.656 113 HB1 ALA 18 1HB ALA 18 -20.621 -19.194 1.150 114 HB2 ALA 18 2HB ALA 18 -21.610 -20.331 2.091 115 HB3 ALA 18 3HB ALA 18 -22.384 -19.009 1.191 116 H SER 19 H SER 19 -23.631 -17.121 2.904 117 HA SER 19 HA SER 19 -25.091 -18.964 4.688 118 HB2 SER 19 1HB SER 19 -24.084 -17.092 6.119 119 HB3 SER 19 2HB SER 19 -25.191 -15.992 5.281 120 HG SER 19 HG SER 19 -25.781 -18.261 6.907 121 H ALA 20 H ALA 20 -27.443 -18.389 4.792 122 HA ALA 20 HA ALA 20 -28.459 -17.705 2.106 123 HB1 ALA 20 1HB ALA 20 -29.838 -18.941 4.515 124 HB2 ALA 20 2HB ALA 20 -30.508 -18.798 2.877 125 HB3 ALA 20 3HB ALA 20 -29.103 -19.838 3.166 126 H ILE 21 H ILE 21 -27.806 -15.870 4.757 127 HA ILE 21 HA ILE 21 -30.101 -13.995 4.336 128 HB ILE 21 HB ILE 21 -28.933 -14.938 6.978 129 HG12 ILE 21 1HG1 ILE 21 -31.660 -15.462 5.709 130 HG13 ILE 21 2HG1 ILE 21 -30.395 -16.653 6.008 131 HG21 ILE 21 1HG2 ILE 21 -29.584 -12.572 7.088 132 HG22 ILE 21 2HG2 ILE 21 -31.212 -12.974 6.489 133 HG23 ILE 21 3HG2 ILE 21 -30.631 -13.548 8.074 134 HD11 ILE 21 3HD1 ILE 21 -30.650 -16.252 8.477 135 HD12 ILE 21 1HD1 ILE 21 -32.093 -15.273 8.102 136 HD13 ILE 21 2HD1 ILE 21 -32.047 -16.984 7.664 137 H LYS 22 H LYS 22 -29.538 -11.880 4.161 138 HA LYS 22 HA LYS 22 -26.821 -11.053 3.915 139 HB2 LYS 22 1HB LYS 22 -28.740 -9.984 2.775 140 HB3 LYS 22 2HB LYS 22 -29.351 -9.394 4.313 141 HG2 LYS 22 1HG LYS 22 -28.214 -7.657 2.985 142 HG3 LYS 22 2HG LYS 22 -27.472 -7.885 4.570 143 HD2 LYS 22 1HD LYS 22 -25.575 -9.054 3.606 144 HD3 LYS 22 2HD LYS 22 -26.389 -9.195 2.045 145 HE2 LYS 22 1HE LYS 22 -24.638 -7.500 1.981 146 HE3 LYS 22 2HE LYS 22 -26.226 -6.807 1.649 147 HZ1 LYS 22 3HZ LYS 22 -24.821 -5.489 3.220 148 HZ2 LYS 22 1HZ LYS 22 -24.940 -6.688 4.334 149 HZ3 LYS 22 2HZ LYS 22 -26.273 -5.879 3.846 150 H ALA 23 H ALA 23 -29.061 -10.649 6.672 151 HA ALA 23 HA ALA 23 -27.327 -9.195 8.376 152 HB1 ALA 23 1HB ALA 23 -29.744 -9.529 8.768 153 HB2 ALA 23 2HB ALA 23 -29.450 -11.249 9.125 154 HB3 ALA 23 3HB ALA 23 -28.776 -9.993 10.178 155 H ASN 24 H ASN 24 -27.436 -12.728 7.769 156 HA ASN 24 HA ASN 24 -25.483 -13.375 9.824 157 HB2 ASN 24 1HB ASN 24 -26.468 -14.873 7.345 158 HB3 ASN 24 2HB ASN 24 -25.342 -15.541 8.502 159 HD21 ASN 24 1HD2 ASN 24 -27.356 -17.046 8.109 160 HD22 ASN 24 2HD2 ASN 24 -28.503 -16.980 9.452 161 H LEU 25 H LEU 25 -25.194 -12.285 6.459 162 HA LEU 25 HA LEU 25 -22.305 -12.753 6.422 163 HB2 LEU 25 1HB LEU 25 -23.550 -12.748 4.336 164 HB3 LEU 25 2HB LEU 25 -24.102 -11.095 4.621 165 HG LEU 25 HG LEU 25 -21.786 -10.259 4.471 166 HD11 LEU 25 1HD1 LEU 25 -21.026 -13.150 3.835 167 HD12 LEU 25 2HD1 LEU 25 -20.493 -12.215 5.251 168 HD13 LEU 25 3HD1 LEU 25 -19.984 -11.720 3.645 169 HD21 LEU 25 3HD2 LEU 25 -22.493 -12.037 2.112 170 HD22 LEU 25 1HD2 LEU 25 -21.474 -10.587 2.089 171 HD23 LEU 25 2HD2 LEU 25 -23.204 -10.437 2.441 172 H ASN 26 H ASN 26 -24.410 -9.866 6.987 173 HA ASN 26 HA ASN 26 -22.398 -7.963 7.495 174 HB2 ASN 26 1HB ASN 26 -24.997 -8.334 9.069 175 HB3 ASN 26 2HB ASN 26 -24.033 -6.871 9.018 176 HD21 ASN 26 1HD2 ASN 26 -26.683 -6.927 8.559 177 HD22 ASN 26 2HD2 ASN 26 -26.983 -6.439 6.890 178 H VAL 27 H VAL 27 -23.874 -10.260 9.831 179 HA VAL 27 HA VAL 27 -22.375 -9.350 12.055 180 HB VAL 27 HB VAL 27 -24.539 -10.847 11.827 181 HG11 VAL 27 1HG1 VAL 27 -22.560 -13.016 12.532 182 HG12 VAL 27 2HG1 VAL 27 -24.333 -13.105 12.528 183 HG13 VAL 27 3HG1 VAL 27 -23.470 -12.888 11.006 184 HG21 VAL 27 3HG2 VAL 27 -24.281 -11.336 14.237 185 HG22 VAL 27 1HG2 VAL 27 -22.536 -10.971 14.090 186 HG23 VAL 27 2HG2 VAL 27 -23.754 -9.696 13.809 187 H HIS 28 H HIS 28 -21.743 -11.847 9.731 188 HA HIS 28 HA HIS 28 -19.541 -13.092 10.992 189 HB2 HIS 28 1HB HIS 28 -20.811 -14.139 9.253 190 HB3 HIS 28 2HB HIS 28 -20.444 -12.871 8.095 191 HD1 HIS 28 1HD HIS 28 -18.685 -15.881 9.686 192 HD2 HIS 28 2HD HIS 28 -18.117 -12.844 6.842 193 HE1 HIS 28 1HE HIS 28 -16.461 -16.387 8.562 194 H LEU 29 H LEU 29 -19.628 -10.333 8.703 195 HA LEU 29 HA LEU 29 -16.834 -10.122 8.220 196 HB2 LEU 29 1HB LEU 29 -19.004 -8.000 8.278 197 HB3 LEU 29 2HB LEU 29 -17.401 -7.731 7.610 198 HG LEU 29 HG LEU 29 -19.252 -9.885 6.538 199 HD11 LEU 29 1HD1 LEU 29 -19.846 -8.311 4.748 200 HD12 LEU 29 2HD1 LEU 29 -18.887 -7.033 5.535 201 HD13 LEU 29 3HD1 LEU 29 -20.346 -7.677 6.322 202 HD21 LEU 29 3HD2 LEU 29 -16.922 -10.196 5.894 203 HD22 LEU 29 1HD2 LEU 29 -16.837 -8.504 5.329 204 HD23 LEU 29 2HD2 LEU 29 -17.901 -9.672 4.522 205 H ARG 30 H ARG 30 -18.607 -9.231 11.047 206 HA ARG 30 HA ARG 30 -17.039 -7.166 12.171 207 HB2 ARG 30 1HB ARG 30 -18.561 -9.408 13.577 208 HB3 ARG 30 2HB ARG 30 -17.996 -7.934 14.347 209 HG2 ARG 30 1HG ARG 30 -19.416 -6.565 12.840 210 HG3 ARG 30 2HG ARG 30 -19.991 -8.038 12.054 211 HD2 ARG 30 1HD ARG 30 -21.676 -7.351 13.632 212 HD3 ARG 30 2HD ARG 30 -20.932 -8.837 14.205 213 HE ARG 30 HE ARG 30 -20.065 -7.728 16.049 214 HH11 ARG 30 2HH1 ARG 30 -21.303 -5.257 13.886 215 HH12 ARG 30 1HH1 ARG 30 -21.139 -4.007 15.087 216 HH21 ARG 30 2HH2 ARG 30 -19.879 -6.081 17.518 217 HH22 ARG 30 1HH2 ARG 30 -20.354 -4.466 17.084 218 H LYS 31 H LYS 31 -16.236 -10.541 11.957 219 HA LYS 31 HA LYS 31 -14.111 -10.411 13.991 220 HB2 LYS 31 1HB LYS 31 -13.827 -12.681 13.681 221 HB3 LYS 31 2HB LYS 31 -15.553 -12.412 13.442 222 HG2 LYS 31 1HG LYS 31 -15.099 -12.490 10.918 223 HG3 LYS 31 2HG LYS 31 -13.432 -12.904 11.298 224 HD2 LYS 31 1HD LYS 31 -14.586 -14.943 10.811 225 HD3 LYS 31 2HD LYS 31 -14.206 -14.914 12.538 226 HE2 LYS 31 1HE LYS 31 -16.589 -14.077 12.942 227 HE3 LYS 31 2HE LYS 31 -16.907 -14.346 11.227 228 HZ1 LYS 31 3HZ LYS 31 -16.062 -16.425 13.191 229 HZ2 LYS 31 1HZ LYS 31 -16.332 -16.721 11.612 230 HZ3 LYS 31 2HZ LYS 31 -17.563 -16.267 12.591 231 H HIS 32 H HIS 32 -14.250 -9.804 10.620 232 HA HIS 32 HA HIS 32 -11.420 -10.368 10.104 233 HB2 HIS 32 1HB HIS 32 -13.651 -9.290 8.348 234 HB3 HIS 32 2HB HIS 32 -12.017 -9.645 7.794 235 HD1 HIS 32 1HD HIS 32 -11.399 -12.456 8.810 236 HD2 HIS 32 2HD HIS 32 -15.113 -11.176 7.319 237 HE1 HIS 32 1HE HIS 32 -12.547 -14.544 7.952 238 H THR 33 H THR 33 -12.918 -7.600 11.392 239 HA THR 33 HA THR 33 -11.398 -5.571 10.008 240 HB THR 33 HB THR 33 -12.070 -4.130 12.004 241 HG1 THR 33 1HG THR 33 -12.455 -5.771 13.514 242 HG21 THR 33 3HG2 THR 33 -13.284 -4.188 9.878 243 HG22 THR 33 1HG2 THR 33 -14.396 -4.007 11.250 244 HG23 THR 33 2HG2 THR 33 -14.237 -5.585 10.438 245 H GLY 34 H GLY 34 -9.652 -4.366 10.606 246 HA2 GLY 34 1HA GLY 34 -8.057 -4.416 12.881 247 HA3 GLY 34 2HA GLY 34 -7.571 -5.826 11.930 248 H GLU 35 H GLU 35 -5.511 -4.378 12.115 249 HA GLU 35 HA GLU 35 -5.309 -2.163 10.199 250 HB2 GLU 35 1HB GLU 35 -3.273 -3.659 11.874 251 HB3 GLU 35 2HB GLU 35 -2.816 -2.442 10.669 252 HG2 GLU 35 1HG GLU 35 -4.099 -0.722 11.761 253 HG3 GLU 35 2HG GLU 35 -4.815 -1.881 12.869 254 H LYS 36 H LYS 36 -4.951 -2.175 8.210 255 HA LYS 36 HA LYS 36 -3.868 -4.619 6.852 256 HB2 LYS 36 1HB LYS 36 -6.032 -2.728 5.859 257 HB3 LYS 36 2HB LYS 36 -5.159 -3.895 4.849 258 HG2 LYS 36 1HG LYS 36 -5.840 -5.688 6.550 259 HG3 LYS 36 2HG LYS 36 -6.962 -4.506 7.226 260 HD2 LYS 36 1HD LYS 36 -8.192 -4.345 5.155 261 HD3 LYS 36 2HD LYS 36 -6.952 -5.256 4.264 262 HE2 LYS 36 1HE LYS 36 -7.393 -7.263 5.554 263 HE3 LYS 36 2HE LYS 36 -8.570 -6.407 6.570 264 HZ1 LYS 36 3HZ LYS 36 -9.903 -6.044 4.533 265 HZ2 LYS 36 1HZ LYS 36 -9.734 -7.632 4.859 266 HZ3 LYS 36 2HZ LYS 36 -8.852 -6.943 3.660 267 H PHE 37 H PHE 37 -1.953 -4.339 6.372 268 HA PHE 37 HA PHE 37 -0.775 -1.754 5.557 269 HB2 PHE 37 1HB PHE 37 0.457 -4.485 6.119 270 HB3 PHE 37 2HB PHE 37 1.339 -2.989 5.851 271 HD1 PHE 37 2HD PHE 37 0.841 -0.975 7.395 272 HD2 PHE 37 1HD PHE 37 -0.203 -5.047 8.344 273 HE1 PHE 37 2HE PHE 37 0.624 -0.362 9.789 274 HE2 PHE 37 1HE PHE 37 -0.386 -4.438 10.752 275 HZ PHE 37 HZ PHE 37 0.059 -2.096 11.473 276 H ALA 38 H ALA 38 -1.131 -1.234 3.486 277 HA ALA 38 HA ALA 38 -1.352 -3.315 1.406 278 HB1 ALA 38 1HB ALA 38 -3.112 -1.566 1.644 279 HB2 ALA 38 2HB ALA 38 -1.891 -0.323 1.290 280 HB3 ALA 38 3HB ALA 38 -2.314 -1.525 0.057 281 H CYS 39 H CYS 39 -0.124 -3.478 -0.454 282 HA CYS 39 HA CYS 39 2.554 -2.377 -0.442 283 HB2 CYS 39 1HB CYS 39 1.959 -4.563 -1.221 284 HB3 CYS 39 2HB CYS 39 0.906 -3.896 -2.466 285 H ASP 40 H ASP 40 3.449 -0.824 -1.594 286 HA ASP 40 HA ASP 40 1.722 1.313 -2.669 287 HB2 ASP 40 1HB ASP 40 3.684 1.726 -1.132 288 HB3 ASP 40 2HB ASP 40 4.751 1.203 -2.435 289 H TYR 41 H TYR 41 3.079 -1.508 -3.883 290 HA TYR 41 HA TYR 41 3.538 -0.396 -6.632 291 HB2 TYR 41 1HB TYR 41 4.854 -2.759 -5.241 292 HB3 TYR 41 2HB TYR 41 5.127 -2.234 -6.885 293 HD1 TYR 41 1HD TYR 41 6.317 -0.026 -7.290 294 HD2 TYR 41 2HD TYR 41 5.690 -1.632 -3.349 295 HE1 TYR 41 1HE TYR 41 8.090 1.492 -6.404 296 HE2 TYR 41 2HE TYR 41 7.491 -0.130 -2.449 297 HH TYR 41 HH TYR 41 9.060 1.465 -2.954 298 H CYS 42 H CYS 42 1.888 -2.891 -4.790 299 HA CYS 42 HA CYS 42 0.243 -3.376 -7.204 300 HB2 CYS 42 1HB CYS 42 0.200 -5.789 -6.974 301 HB3 CYS 42 2HB CYS 42 1.840 -5.209 -7.289 302 H SER 43 H SER 43 -1.627 -5.003 -6.524 303 HA SER 43 HA SER 43 -3.259 -3.635 -4.570 304 HB2 SER 43 1HB SER 43 -3.778 -6.264 -6.005 305 HB3 SER 43 2HB SER 43 -4.984 -5.228 -5.224 306 HG SER 43 HG SER 43 -4.543 -3.617 -6.771 307 H PHE 44 H PHE 44 -0.783 -5.700 -3.876 308 HA PHE 44 HA PHE 44 -1.874 -7.646 -2.160 309 HB2 PHE 44 1HB PHE 44 0.352 -7.753 -2.929 310 HB3 PHE 44 2HB PHE 44 0.797 -6.241 -2.170 311 HD1 PHE 44 2HD PHE 44 0.182 -9.842 -1.623 312 HD2 PHE 44 1HD PHE 44 1.314 -6.116 0.231 313 HE1 PHE 44 2HE PHE 44 1.059 -11.080 0.348 314 HE2 PHE 44 1HE PHE 44 2.200 -7.357 2.186 315 HZ PHE 44 HZ PHE 44 2.081 -9.836 2.246 316 H THR 45 H THR 45 -2.183 -7.787 -0.001 317 HA THR 45 HA THR 45 -1.758 -5.509 1.794 318 HB THR 45 HB THR 45 -3.995 -5.816 2.839 319 HG1 THR 45 1HG THR 45 -4.579 -7.798 1.825 320 HG21 THR 45 3HG2 THR 45 -5.211 -4.414 1.259 321 HG22 THR 45 1HG2 THR 45 -4.028 -4.805 -0.016 322 HG23 THR 45 2HG2 THR 45 -3.519 -3.913 1.441 323 H CYS 46 H CYS 46 -1.536 -6.016 3.916 324 HA CYS 46 HA CYS 46 -1.574 -8.891 4.732 325 HB2 CYS 46 1HB CYS 46 0.692 -8.143 3.869 326 HB3 CYS 46 2HB CYS 46 0.745 -6.971 5.200 327 HG CYS 46 HG CYS 46 2.084 -8.645 6.302 328 H LEU 47 H LEU 47 -1.748 -9.278 6.965 329 HA LEU 47 HA LEU 47 -2.859 -7.103 8.625 330 HB2 LEU 47 1HB LEU 47 -2.528 -10.100 9.040 331 HB3 LEU 47 2HB LEU 47 -3.094 -9.019 10.291 332 HG LEU 47 HG LEU 47 -4.949 -10.148 9.357 333 HD11 LEU 47 1HD1 LEU 47 -5.084 -7.291 8.334 334 HD12 LEU 47 2HD1 LEU 47 -5.264 -7.766 10.036 335 HD13 LEU 47 3HD1 LEU 47 -6.433 -8.331 8.828 336 HD21 LEU 47 3HD2 LEU 47 -5.726 -10.021 7.100 337 HD22 LEU 47 1HD2 LEU 47 -4.054 -10.602 7.070 338 HD23 LEU 47 2HD2 LEU 47 -4.427 -8.915 6.631 339 H SER 48 H SER 48 0.240 -8.218 7.968 340 HA SER 48 HA SER 48 1.343 -7.205 10.561 341 HB2 SER 48 1HB SER 48 2.328 -9.554 8.901 342 HB3 SER 48 2HB SER 48 3.146 -8.876 10.321 343 HG SER 48 HG SER 48 1.829 -10.688 10.851 344 H LYS 49 H LYS 49 2.643 -5.555 10.372 345 HA LYS 49 HA LYS 49 3.243 -4.283 7.911 346 HB2 LYS 49 1HB LYS 49 2.920 -3.319 10.258 347 HB3 LYS 49 2HB LYS 49 4.588 -3.788 10.599 348 HG2 LYS 49 1HG LYS 49 5.275 -2.366 8.591 349 HG3 LYS 49 2HG LYS 49 3.595 -1.817 8.490 350 HD2 LYS 49 1HD LYS 49 5.429 -1.484 10.910 351 HD3 LYS 49 2HD LYS 49 5.110 -0.238 9.692 352 HE2 LYS 49 1HE LYS 49 2.716 -0.247 10.275 353 HE3 LYS 49 2HE LYS 49 2.995 -1.507 11.486 354 HZ1 LYS 49 3HZ LYS 49 2.956 0.698 12.501 355 HZ2 LYS 49 1HZ LYS 49 4.181 1.219 11.557 356 HZ3 LYS 49 2HZ LYS 49 4.444 0.055 12.674 357 H GLY 50 H GLY 50 5.343 -6.310 9.954 358 HA2 GLY 50 1HA GLY 50 7.806 -5.879 8.563 359 HA3 GLY 50 2HA GLY 50 7.398 -7.291 9.546 360 H HIS 51 H HIS 51 5.137 -8.194 7.928 361 HA HIS 51 HA HIS 51 6.588 -9.566 5.815 362 HB2 HIS 51 1HB HIS 51 4.840 -10.657 7.142 363 HB3 HIS 51 2HB HIS 51 3.650 -9.523 6.503 364 HD1 HIS 51 1HD HIS 51 2.193 -11.060 4.957 365 HD2 HIS 51 2HD HIS 51 6.342 -11.573 4.508 366 HE1 HIS 51 1HE HIS 51 2.504 -12.679 3.011 367 H LEU 52 H LEU 52 4.336 -6.753 5.874 368 HA LEU 52 HA LEU 52 4.148 -6.477 3.028 369 HB2 LEU 52 1HB LEU 52 2.693 -5.154 4.474 370 HB3 LEU 52 2HB LEU 52 4.083 -4.404 5.258 371 HG LEU 52 HG LEU 52 4.741 -3.328 3.100 372 HD11 LEU 52 1HD1 LEU 52 3.156 -3.272 1.267 373 HD12 LEU 52 2HD1 LEU 52 2.080 -4.422 2.089 374 HD13 LEU 52 3HD1 LEU 52 3.689 -4.924 1.510 375 HD21 LEU 52 3HD2 LEU 52 3.153 -1.601 3.093 376 HD22 LEU 52 1HD2 LEU 52 3.297 -2.164 4.767 377 HD23 LEU 52 2HD2 LEU 52 1.897 -2.639 3.765 378 H LYS 53 H LYS 53 6.632 -5.298 5.354 379 HA LYS 53 HA LYS 53 8.263 -3.947 3.420 380 HB2 LYS 53 1HB LYS 53 8.624 -3.545 5.730 381 HB3 LYS 53 2HB LYS 53 8.878 -5.251 6.093 382 HG2 LYS 53 1HG LYS 53 10.967 -5.306 4.881 383 HG3 LYS 53 2HG LYS 53 10.749 -3.657 4.291 384 HD2 LYS 53 1HD LYS 53 10.953 -4.434 7.237 385 HD3 LYS 53 2HD LYS 53 12.340 -3.946 6.246 386 HE2 LYS 53 1HE LYS 53 11.240 -1.752 5.797 387 HE3 LYS 53 2HE LYS 53 9.891 -2.222 6.838 388 HZ1 LYS 53 3HZ LYS 53 12.713 -1.939 7.731 389 HZ2 LYS 53 1HZ LYS 53 11.468 -2.378 8.696 390 HZ3 LYS 53 2HZ LYS 53 11.513 -0.881 8.046 391 H VAL 54 H VAL 54 8.549 -7.328 4.622 392 HA VAL 54 HA VAL 54 10.610 -8.055 2.817 393 HB VAL 54 HB VAL 54 8.451 -9.753 4.154 394 HG11 VAL 54 1HG1 VAL 54 10.966 -10.689 2.702 395 HG12 VAL 54 2HG1 VAL 54 9.974 -11.701 3.780 396 HG13 VAL 54 3HG1 VAL 54 9.283 -11.070 2.287 397 HG21 VAL 54 3HG2 VAL 54 10.037 -8.580 5.664 398 HG22 VAL 54 1HG2 VAL 54 10.250 -10.335 5.711 399 HG23 VAL 54 2HG2 VAL 54 11.395 -9.320 4.793 400 H HIS 55 H HIS 55 7.060 -8.206 2.307 401 HA HIS 55 HA HIS 55 7.057 -9.444 -0.211 402 HB2 HIS 55 1HB HIS 55 4.973 -9.043 0.894 403 HB3 HIS 55 2HB HIS 55 5.279 -7.317 1.019 404 HD1 HIS 55 1HD HIS 55 4.189 -9.899 -1.601 405 HD2 HIS 55 2HD HIS 55 4.620 -5.755 -1.044 406 HE1 HIS 55 1HE HIS 55 3.166 -8.814 -3.650 407 H ILE 56 H ILE 56 7.611 -5.965 0.521 408 HA ILE 56 HA ILE 56 8.012 -5.294 -2.293 409 HB ILE 56 HB ILE 56 8.660 -3.797 0.253 410 HG12 ILE 56 1HG1 ILE 56 6.376 -3.322 -1.710 411 HG13 ILE 56 2HG1 ILE 56 6.199 -4.296 -0.260 412 HG21 ILE 56 1HG2 ILE 56 8.603 -2.789 -2.631 413 HG22 ILE 56 2HG2 ILE 56 8.933 -1.807 -1.188 414 HG23 ILE 56 3HG2 ILE 56 10.078 -3.054 -1.672 415 HD11 ILE 56 3HD1 ILE 56 6.887 -1.345 -0.280 416 HD12 ILE 56 1HD1 ILE 56 5.353 -2.104 0.188 417 HD13 ILE 56 2HD1 ILE 56 6.806 -2.388 1.165 418 H GLU 57 H GLU 57 10.200 -6.213 0.371 419 HA GLU 57 HA GLU 57 12.633 -5.794 -1.138 420 HB2 GLU 57 1HB GLU 57 12.139 -7.609 1.255 421 HB3 GLU 57 2HB GLU 57 13.708 -7.169 0.582 422 HG2 GLU 57 1HG GLU 57 13.132 -4.757 0.996 423 HG3 GLU 57 2HG GLU 57 11.777 -5.294 1.959 424 H ARG 58 H ARG 58 10.297 -8.223 -1.463 425 HA ARG 58 HA ARG 58 12.244 -10.010 -2.912 426 HB2 ARG 58 1HB ARG 58 11.095 -11.906 -2.298 427 HB3 ARG 58 2HB ARG 58 11.049 -10.888 -0.875 428 HG2 ARG 58 1HG ARG 58 8.706 -10.181 -1.590 429 HG3 ARG 58 2HG ARG 58 8.785 -11.494 -2.785 430 HD2 ARG 58 1HD ARG 58 9.173 -13.111 -0.932 431 HD3 ARG 58 2HD ARG 58 9.092 -11.764 0.221 432 HE ARG 58 HE ARG 58 6.758 -12.228 -1.563 433 HH11 ARG 58 2HH1 ARG 58 7.996 -12.737 1.691 434 HH12 ARG 58 1HH1 ARG 58 6.372 -12.747 2.361 435 HH21 ARG 58 2HH2 ARG 58 4.736 -12.441 -0.568 436 HH22 ARG 58 1HH2 ARG 58 4.677 -12.570 1.175 437 H VAL 59 H VAL 59 9.007 -8.554 -3.231 438 HA VAL 59 HA VAL 59 8.833 -9.668 -5.921 439 HB VAL 59 HB VAL 59 6.798 -7.907 -4.510 440 HG11 VAL 59 1HG1 VAL 59 6.497 -7.965 -6.968 441 HG12 VAL 59 2HG1 VAL 59 6.543 -9.742 -6.933 442 HG13 VAL 59 3HG1 VAL 59 5.215 -8.856 -6.149 443 HG21 VAL 59 3HG2 VAL 59 7.011 -9.933 -3.213 444 HG22 VAL 59 1HG2 VAL 59 5.562 -10.089 -4.194 445 HG23 VAL 59 2HG2 VAL 59 7.042 -10.941 -4.683 446 H HIS 60 H HIS 60 8.958 -6.416 -4.427 447 HA HIS 60 HA HIS 60 9.300 -5.155 -7.090 448 HB2 HIS 60 1HB HIS 60 8.456 -3.865 -4.511 449 HB3 HIS 60 2HB HIS 60 8.341 -3.200 -6.139 450 HD1 HIS 60 1HD HIS 60 6.539 -4.745 -7.794 451 HD2 HIS 60 2HD HIS 60 6.368 -5.038 -3.604 452 HE1 HIS 60 1HE HIS 60 4.254 -5.729 -7.263 453 H LYS 61 H LYS 61 11.532 -6.350 -5.465 454 HA LYS 61 HA LYS 61 13.193 -4.182 -4.531 455 HB2 LYS 61 1HB LYS 61 13.258 -6.510 -3.777 456 HB3 LYS 61 2HB LYS 61 13.921 -7.040 -5.307 457 HG2 LYS 61 1HG LYS 61 15.291 -4.968 -3.525 458 HG3 LYS 61 2HG LYS 61 15.462 -6.690 -3.238 459 HD2 LYS 61 1HD LYS 61 16.420 -5.222 -5.721 460 HD3 LYS 61 2HD LYS 61 17.395 -5.860 -4.401 461 HE2 LYS 61 1HE LYS 61 16.500 -8.168 -4.951 462 HE3 LYS 61 2HE LYS 61 15.723 -7.466 -6.380 463 HZ1 LYS 61 3HZ LYS 61 17.934 -6.801 -7.172 464 HZ2 LYS 61 1HZ LYS 61 17.893 -8.412 -6.920 465 HZ3 LYS 61 2HZ LYS 61 18.649 -7.446 -5.848 466 H LYS 62 H LYS 62 14.737 -3.022 -5.502 467 HA LYS 62 HA LYS 62 15.643 -1.705 -7.098 468 HB2 LYS 62 1HB LYS 62 17.026 -3.731 -7.441 469 HB3 LYS 62 2HB LYS 62 15.963 -4.217 -8.769 470 HG2 LYS 62 1HG LYS 62 16.535 -2.079 -9.957 471 HG3 LYS 62 2HG LYS 62 17.597 -1.638 -8.608 472 HD2 LYS 62 1HD LYS 62 18.983 -3.651 -9.038 473 HD3 LYS 62 2HD LYS 62 17.899 -4.114 -10.370 474 HE2 LYS 62 1HE LYS 62 18.427 -1.978 -11.532 475 HE3 LYS 62 2HE LYS 62 19.516 -1.528 -10.212 476 HZ1 LYS 62 3HZ LYS 62 20.872 -3.484 -10.757 477 HZ2 LYS 62 1HZ LYS 62 20.732 -2.520 -12.066 478 HZ3 LYS 62 2HZ LYS 62 19.864 -3.897 -11.976 479 H ILE 63 H ILE 63 13.600 -0.669 -7.175 480 HA ILE 63 HA ILE 63 12.447 -0.571 -9.892 481 HB ILE 63 HB ILE 63 11.103 -2.090 -8.324 482 HG12 ILE 63 1HG1 ILE 63 9.611 0.250 -9.556 483 HG13 ILE 63 2HG1 ILE 63 10.289 -1.112 -10.455 484 HG21 ILE 63 1HG2 ILE 63 11.289 -0.579 -6.309 485 HG22 ILE 63 2HG2 ILE 63 10.175 0.549 -7.112 486 HG23 ILE 63 3HG2 ILE 63 9.643 -1.083 -6.678 487 HD11 ILE 63 3HD1 ILE 63 8.834 -2.671 -9.145 488 HD12 ILE 63 1HD1 ILE 63 8.094 -1.261 -8.349 489 HD13 ILE 63 2HD1 ILE 63 7.919 -1.481 -10.096 490 H LYS 64 H LYS 64 11.332 1.397 -10.366 491 HA LYS 64 HA LYS 64 12.275 3.798 -8.883 492 HB2 LYS 64 1HB LYS 64 10.802 3.578 -11.542 493 HB3 LYS 64 2HB LYS 64 11.424 5.053 -10.799 494 HG2 LYS 64 1HG LYS 64 13.735 3.805 -10.788 495 HG3 LYS 64 2HG LYS 64 12.981 2.739 -11.982 496 HD2 LYS 64 1HD LYS 64 12.490 4.715 -13.425 497 HD3 LYS 64 2HD LYS 64 13.203 5.779 -12.195 498 HE2 LYS 64 1HE LYS 64 15.343 4.359 -12.423 499 HE3 LYS 64 2HE LYS 64 14.605 3.659 -13.872 500 HZ1 LYS 64 3HZ LYS 64 14.438 5.969 -14.746 501 HZ2 LYS 64 1HZ LYS 64 15.990 5.556 -14.446 502 HZ3 LYS 64 2HZ LYS 64 15.201 6.533 -13.403 503 H GLN 65 H GLN 65 10.777 5.587 -8.607 504 HA GLN 65 HA GLN 65 8.083 4.737 -7.576 505 HB2 GLN 65 1HB GLN 65 10.153 6.587 -6.283 506 HB3 GLN 65 2HB GLN 65 8.499 6.320 -5.725 507 HG2 GLN 65 1HG GLN 65 9.787 5.026 -4.326 508 HG3 GLN 65 2HG GLN 65 8.976 3.919 -5.439 509 HE21 GLN 65 1HE2 GLN 65 10.478 2.245 -5.055 510 HE22 GLN 65 2HE2 GLN 65 12.063 2.315 -5.851 511 H HIS 66 H HIS 66 6.664 6.663 -7.068 512 HA HIS 66 HA HIS 66 7.309 9.104 -8.571 513 HB2 HIS 66 1HB HIS 66 5.168 9.370 -9.543 514 HB3 HIS 66 2HB HIS 66 5.788 7.800 -10.032 515 HD1 HIS 66 1HD HIS 66 4.450 5.632 -9.020 516 HD2 HIS 66 2HD HIS 66 2.955 9.440 -8.027 517 HE1 HIS 66 1HE HIS 66 2.126 5.255 -8.043 518 H CYS 67 H CYS 67 6.588 10.991 -7.702 519 HA CYS 67 HA CYS 67 6.012 11.106 -4.874 520 HB2 CYS 67 1HB CYS 67 7.438 12.683 -6.094 521 HB3 CYS 67 2HB CYS 67 6.071 13.156 -7.116 522 H ARG 68 H ARG 68 4.089 11.206 -3.845 523 HA ARG 68 HA ARG 68 1.623 10.962 -5.380 524 HB2 ARG 68 1HB ARG 68 0.514 10.518 -3.365 525 HB3 ARG 68 2HB ARG 68 2.073 9.732 -3.288 526 HG2 ARG 68 1HG ARG 68 1.826 10.558 -1.159 527 HG3 ARG 68 2HG ARG 68 2.854 11.793 -1.884 528 HD2 ARG 68 1HD ARG 68 0.960 13.310 -2.112 529 HD3 ARG 68 2HD ARG 68 -0.192 12.037 -1.726 530 HE ARG 68 HE ARG 68 1.479 13.597 0.112 531 HH11 ARG 68 2HH1 ARG 68 -0.562 10.748 -0.104 532 HH12 ARG 68 1HH1 ARG 68 -0.869 10.728 1.611 533 HH21 ARG 68 2HH2 ARG 68 1.012 13.519 2.290 534 HH22 ARG 68 1HH2 ARG 68 0.012 12.245 2.921 535 H PHE 69 H PHE 69 3.346 13.681 -4.300 536 HA PHE 69 HA PHE 69 0.979 15.441 -4.069 537 HB2 PHE 69 1HB PHE 69 3.927 16.024 -3.847 538 HB3 PHE 69 2HB PHE 69 2.637 17.150 -3.490 539 HD1 PHE 69 1HD PHE 69 4.528 14.213 -2.292 540 HD2 PHE 69 2HD PHE 69 1.333 16.975 -1.418 541 HE1 PHE 69 1HE PHE 69 4.645 13.591 0.105 542 HE2 PHE 69 2HE PHE 69 1.466 16.369 0.979 543 HZ PHE 69 HZ PHE 69 3.154 14.700 1.757 544 H CYS 70 H CYS 70 3.789 15.011 -6.262 545 HA CYS 70 HA CYS 70 2.533 16.861 -8.234 546 HB2 CYS 70 1HB CYS 70 4.611 17.880 -8.718 547 HB3 CYS 70 2HB CYS 70 4.251 18.034 -7.001 548 H LYS 71 H LYS 71 3.353 13.714 -7.885 549 HA LYS 71 HA LYS 71 3.597 11.950 -9.270 550 HB2 LYS 71 1HB LYS 71 2.134 13.835 -11.127 551 HB3 LYS 71 2HB LYS 71 2.512 12.179 -11.559 552 HG2 LYS 71 1HG LYS 71 0.279 12.272 -10.770 553 HG3 LYS 71 2HG LYS 71 1.250 11.304 -9.666 554 HD2 LYS 71 1HD LYS 71 1.255 13.079 -8.006 555 HD3 LYS 71 2HD LYS 71 0.462 14.205 -9.119 556 HE2 LYS 71 1HE LYS 71 -0.737 11.582 -8.105 557 HE3 LYS 71 2HE LYS 71 -0.992 13.147 -7.330 558 HZ1 LYS 71 3HZ LYS 71 -1.816 12.483 -10.108 559 HZ2 LYS 71 1HZ LYS 71 -2.020 13.942 -9.393 560 HZ3 LYS 71 2HZ LYS 71 -2.812 12.635 -8.828 561 H LYS 72 H LYS 72 5.803 14.030 -9.251 562 HA LYS 72 HA LYS 72 7.396 13.532 -11.611 563 HB2 LYS 72 1HB LYS 72 7.654 15.400 -9.845 564 HB3 LYS 72 2HB LYS 72 8.339 14.187 -8.784 565 HG2 LYS 72 1HG LYS 72 10.174 13.759 -10.342 566 HG3 LYS 72 2HG LYS 72 9.436 14.802 -11.572 567 HD2 LYS 72 1HD LYS 72 9.780 16.784 -10.210 568 HD3 LYS 72 2HD LYS 72 10.315 15.810 -8.832 569 HE2 LYS 72 1HE LYS 72 12.197 14.925 -10.285 570 HE3 LYS 72 2HE LYS 72 11.722 16.099 -11.524 571 HZ1 LYS 72 3HZ LYS 72 13.490 16.971 -10.107 572 HZ2 LYS 72 1HZ LYS 72 12.595 16.740 -8.760 573 HZ3 LYS 72 2HZ LYS 72 12.143 17.865 -9.868 574 H LYS 73 H LYS 73 8.746 11.816 -12.071 575 HA LYS 73 HA LYS 73 8.651 9.459 -10.281 576 HB2 LYS 73 1HB LYS 73 9.502 9.833 -13.159 577 HB3 LYS 73 2HB LYS 73 9.912 8.369 -12.245 578 HG2 LYS 73 1HG LYS 73 7.566 7.945 -11.729 579 HG3 LYS 73 2HG LYS 73 7.077 9.430 -12.563 580 HD2 LYS 73 1HD LYS 73 7.902 8.527 -14.705 581 HD3 LYS 73 2HD LYS 73 8.496 7.065 -13.879 582 HE2 LYS 73 1HE LYS 73 6.194 6.535 -13.142 583 HE3 LYS 73 2HE LYS 73 5.587 7.991 -13.941 584 HZ1 LYS 73 3HZ LYS 73 6.884 5.703 -15.335 585 HZ2 LYS 73 1HZ LYS 73 6.324 7.052 -16.072 586 HZ3 LYS 73 2HZ LYS 73 5.285 6.027 -15.343 587 H TYR 74 H TYR 74 10.322 8.419 -9.355 588 HA TYR 74 HA TYR 74 12.959 9.839 -9.292 589 HB2 TYR 74 1HB TYR 74 11.113 9.118 -7.025 590 HB3 TYR 74 2HB TYR 74 12.852 9.043 -6.777 591 HD1 TYR 74 1HD TYR 74 10.082 11.385 -7.794 592 HD2 TYR 74 2HD TYR 74 14.190 10.968 -6.527 593 HE1 TYR 74 1HE TYR 74 10.318 13.860 -7.748 594 HE2 TYR 74 2HE TYR 74 14.427 13.443 -6.490 595 HH TYR 74 HH TYR 74 13.458 15.428 -6.924 596 H SER 75 H SER 75 14.681 8.645 -9.554 597 HA SER 75 HA SER 75 14.447 5.836 -10.184 598 HB2 SER 75 1HB SER 75 16.878 7.642 -9.982 599 HB3 SER 75 2HB SER 75 16.857 6.021 -10.700 600 HG SER 75 HG SER 75 16.566 7.998 -12.110 601 H ASP 76 H ASP 76 15.267 7.506 -7.272 602 HA ASP 76 HA ASP 76 15.884 4.945 -5.902 603 HB2 ASP 76 1HB ASP 76 17.527 7.505 -5.691 604 HB3 ASP 76 2HB ASP 76 17.603 6.184 -4.532 605 H VAL 77 H VAL 77 14.665 4.734 -4.117 606 HA VAL 77 HA VAL 77 12.645 6.604 -3.529 607 HB VAL 77 HB VAL 77 12.559 4.163 -3.105 608 HG11 VAL 77 1HG1 VAL 77 13.350 3.186 -1.044 609 HG12 VAL 77 2HG1 VAL 77 14.732 3.863 -1.915 610 HG13 VAL 77 3HG1 VAL 77 14.052 4.721 -0.510 611 HG21 VAL 77 3HG2 VAL 77 11.104 4.288 -1.169 612 HG22 VAL 77 1HG2 VAL 77 11.811 5.841 -0.681 613 HG23 VAL 77 2HG2 VAL 77 10.869 5.724 -2.182 614 H LYS 78 H LYS 78 15.804 6.244 -1.932 615 HA LYS 78 HA LYS 78 15.321 7.925 0.325 616 HB2 LYS 78 1HB LYS 78 17.911 7.585 -1.255 617 HB3 LYS 78 2HB LYS 78 17.779 8.228 0.380 618 HG2 LYS 78 1HG LYS 78 17.143 5.370 -0.477 619 HG3 LYS 78 2HG LYS 78 18.574 5.928 0.385 620 HD2 LYS 78 1HD LYS 78 17.102 6.645 2.304 621 HD3 LYS 78 2HD LYS 78 15.708 6.003 1.429 622 HE2 LYS 78 1HE LYS 78 16.326 4.343 3.003 623 HE3 LYS 78 2HE LYS 78 16.776 3.742 1.406 624 HZ1 LYS 78 3HZ LYS 78 18.534 3.379 3.057 625 HZ2 LYS 78 1HZ LYS 78 18.654 4.975 3.362 626 HZ3 LYS 78 2HZ LYS 78 19.083 4.382 1.897 627 H ASN 79 H ASN 79 16.118 8.837 -2.999 628 HA ASN 79 HA ASN 79 16.269 11.680 -2.298 629 HB2 ASN 79 1HB ASN 79 16.387 10.154 -4.930 630 HB3 ASN 79 2HB ASN 79 16.363 11.913 -4.863 631 HD21 ASN 79 1HD2 ASN 79 18.526 10.017 -5.775 632 HD22 ASN 79 2HD2 ASN 79 19.921 10.537 -4.842 633 H LEU 80 H LEU 80 13.700 9.489 -3.322 634 HA LEU 80 HA LEU 80 11.794 11.555 -3.964 635 HB2 LEU 80 1HB LEU 80 11.438 9.180 -4.547 636 HB3 LEU 80 2HB LEU 80 11.364 8.771 -2.829 637 HG LEU 80 HG LEU 80 9.343 10.093 -2.517 638 HD11 LEU 80 1HD1 LEU 80 9.456 10.561 -5.525 639 HD12 LEU 80 2HD1 LEU 80 9.653 11.817 -4.280 640 HD13 LEU 80 3HD1 LEU 80 8.115 10.982 -4.441 641 HD21 LEU 80 3HD2 LEU 80 7.833 8.642 -3.752 642 HD22 LEU 80 1HD2 LEU 80 9.232 7.695 -3.207 643 HD23 LEU 80 2HD2 LEU 80 9.129 8.243 -4.897 644 H ILE 81 H ILE 81 12.629 9.868 -0.875 645 HA ILE 81 HA ILE 81 10.787 11.265 0.781 646 HB ILE 81 HB ILE 81 13.560 10.408 1.663 647 HG12 ILE 81 1HG1 ILE 81 12.796 8.481 0.636 648 HG13 ILE 81 2HG1 ILE 81 12.581 8.262 2.336 649 HG21 ILE 81 1HG2 ILE 81 12.348 11.750 3.297 650 HG22 ILE 81 2HG2 ILE 81 10.919 10.711 3.141 651 HG23 ILE 81 3HG2 ILE 81 12.422 10.074 3.846 652 HD11 ILE 81 3HD1 ILE 81 10.134 8.737 2.108 653 HD12 ILE 81 1HD1 ILE 81 10.356 8.885 0.349 654 HD13 ILE 81 2HD1 ILE 81 10.663 7.338 1.154 655 H LYS 82 H LYS 82 14.151 12.056 -0.076 656 HA LYS 82 HA LYS 82 14.363 14.510 1.381 657 HB2 LYS 82 1HB LYS 82 16.219 13.129 0.369 658 HB3 LYS 82 2HB LYS 82 15.683 13.621 -1.238 659 HG2 LYS 82 1HG LYS 82 16.186 16.015 -0.596 660 HG3 LYS 82 2HG LYS 82 16.914 15.405 0.899 661 HD2 LYS 82 1HD LYS 82 17.735 14.634 -1.945 662 HD3 LYS 82 2HD LYS 82 18.568 15.831 -0.948 663 HE2 LYS 82 1HE LYS 82 19.280 14.176 0.643 664 HE3 LYS 82 2HE LYS 82 18.228 12.938 -0.052 665 HZ1 LYS 82 3HZ LYS 82 20.493 14.150 -1.532 666 HZ2 LYS 82 1HZ LYS 82 19.552 12.893 -2.028 667 HZ3 LYS 82 2HZ LYS 82 20.562 12.712 -0.761 668 H HIS 83 H HIS 83 13.315 13.970 -2.021 669 HA HIS 83 HA HIS 83 12.644 16.682 -2.643 670 HB2 HIS 83 1HB HIS 83 12.779 15.085 -4.404 671 HB3 HIS 83 2HB HIS 83 11.681 13.967 -3.608 672 HD1 HIS 83 1HD HIS 83 11.507 17.354 -5.449 673 HD2 HIS 83 2HD HIS 83 9.114 14.195 -4.050 674 HE1 HIS 83 1HE HIS 83 9.187 17.786 -6.380 675 H ILE 84 H ILE 84 10.593 14.127 -1.133 676 HA ILE 84 HA ILE 84 8.277 15.780 -0.868 677 HB ILE 84 HB ILE 84 9.275 13.329 0.584 678 HG12 ILE 84 1HG1 ILE 84 6.845 13.680 -1.223 679 HG13 ILE 84 2HG1 ILE 84 8.441 13.307 -1.861 680 HG21 ILE 84 1HG2 ILE 84 6.997 13.143 1.623 681 HG22 ILE 84 2HG2 ILE 84 7.952 14.473 2.254 682 HG23 ILE 84 3HG2 ILE 84 6.654 14.799 1.073 683 HD11 ILE 84 3HD1 ILE 84 6.852 11.565 0.050 684 HD12 ILE 84 1HD1 ILE 84 7.252 11.245 -1.646 685 HD13 ILE 84 2HD1 ILE 84 8.544 11.275 -0.420 686 H ARG 85 H ARG 85 10.941 15.227 1.457 687 HA ARG 85 HA ARG 85 10.043 17.117 3.436 688 HB2 ARG 85 1HB ARG 85 12.836 16.108 2.719 689 HB3 ARG 85 2HB ARG 85 12.483 17.118 4.125 690 HG2 ARG 85 1HG ARG 85 10.919 15.436 4.988 691 HG3 ARG 85 2HG ARG 85 11.240 14.369 3.631 692 HD2 ARG 85 1HD ARG 85 13.339 15.338 5.610 693 HD3 ARG 85 2HD ARG 85 12.460 13.803 5.743 694 HE ARG 85 HE ARG 85 13.534 13.739 3.195 695 HH11 ARG 85 2HH1 ARG 85 14.933 13.998 6.395 696 HH12 ARG 85 1HH1 ARG 85 16.385 13.154 5.939 697 HH21 ARG 85 2HH2 ARG 85 15.427 12.613 2.685 698 HH22 ARG 85 1HH2 ARG 85 16.647 12.410 3.902 699 H ASP 86 H ASP 86 12.097 17.712 0.576 700 HA ASP 86 HA ASP 86 12.551 20.489 1.336 701 HB2 ASP 86 1HB ASP 86 13.119 18.900 -1.191 702 HB3 ASP 86 2HB ASP 86 13.500 20.608 -1.024 703 H ALA 87 H ALA 87 10.354 18.938 -1.033 704 HA ALA 87 HA ALA 87 9.426 21.599 -1.940 705 HB1 ALA 87 1HB ALA 87 10.223 19.900 -3.561 706 HB2 ALA 87 2HB ALA 87 8.895 18.823 -3.064 707 HB3 ALA 87 3HB ALA 87 8.536 20.376 -3.837 708 H HIS 88 H HIS 88 8.107 18.770 -0.211 709 HA HIS 88 HA HIS 88 5.444 20.100 -0.170 710 HB2 HIS 88 1HB HIS 88 6.028 17.124 -0.105 711 HB3 HIS 88 2HB HIS 88 4.463 17.893 -0.305 712 HD1 HIS 88 1HD HIS 88 4.680 19.691 -2.741 713 HD2 HIS 88 2HD HIS 88 6.785 16.083 -2.321 714 HE1 HIS 88 1HE HIS 88 5.255 18.945 -5.106 715 H ASP 89 H ASP 89 7.822 19.379 1.772 716 HA ASP 89 HA ASP 89 8.046 18.607 3.999 717 HB2 ASP 89 1HB ASP 89 8.131 20.523 5.302 718 HB3 ASP 89 2HB ASP 89 8.686 20.854 3.677 719 HA PRO 90 HA PRO 90 3.741 17.317 5.101 720 HB2 PRO 90 1HB PRO 90 4.300 14.718 5.792 721 HB3 PRO 90 2HB PRO 90 4.040 15.263 4.106 722 HG2 PRO 90 1HG PRO 90 6.687 14.907 5.555 723 HG3 PRO 90 2HG PRO 90 6.210 14.268 3.950 724 HD2 PRO 90 1HD PRO 90 7.637 16.571 4.187 725 HD3 PRO 90 2HD PRO 90 6.340 16.434 2.960 726 H GLN 91 H GLN 91 2.797 17.163 7.088 727 HA GLN 91 HA GLN 91 4.542 17.767 9.424 728 HB2 GLN 91 1HB GLN 91 1.624 18.427 8.888 729 HB3 GLN 91 2HB GLN 91 2.550 18.934 10.299 730 HG2 GLN 91 1HG GLN 91 3.103 19.769 7.416 731 HG3 GLN 91 2HG GLN 91 2.351 20.750 8.659 732 HE21 GLN 91 1HE2 GLN 91 5.291 20.268 7.112 733 HE22 GLN 91 2HE2 GLN 91 6.322 20.898 8.392 734 H ASP 92 H ASP 92 3.034 15.072 8.331 735 HA ASP 92 HA ASP 92 2.754 13.876 11.026 736 HB2 ASP 92 1HB ASP 92 0.492 14.650 10.436 737 HB3 ASP 92 2HB ASP 92 0.576 13.791 8.903 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -11.009 24.185 30.659 2 H2 GLY 1 2H GLY 1 -12.011 24.683 31.855 3 H3 GLY 1 3H GLY 1 -11.130 25.779 31.016 4 HA2 GLY 1 1HA GLY 1 -13.426 25.835 30.288 5 HA3 GLY 1 2HA GLY 1 -12.331 25.320 28.992 6 H SER 2 H SER 2 -15.287 24.717 29.941 7 HA SER 2 HA SER 2 -15.387 21.900 30.478 8 HB2 SER 2 1HB SER 2 -17.566 23.749 29.443 9 HB3 SER 2 2HB SER 2 -17.799 22.143 30.163 10 HG SER 2 HG SER 2 -18.095 23.837 31.695 11 H SER 3 H SER 3 -15.823 20.147 29.211 12 HA SER 3 HA SER 3 -14.766 19.923 26.685 13 HB2 SER 3 1HB SER 3 -17.004 18.220 27.851 14 HB3 SER 3 2HB SER 3 -15.844 17.720 26.608 15 HG SER 3 HG SER 3 -15.513 17.238 29.032 16 H GLY 4 H GLY 4 -18.157 20.701 27.409 17 HA2 GLY 4 1HA GLY 4 -19.139 20.354 24.692 18 HA3 GLY 4 2HA GLY 4 -19.988 21.089 26.053 19 H SER 5 H SER 5 -17.247 22.838 26.057 20 HA SER 5 HA SER 5 -18.332 24.932 24.194 21 HB2 SER 5 1HB SER 5 -17.191 25.290 26.986 22 HB3 SER 5 2HB SER 5 -17.769 26.578 25.911 23 HG SER 5 HG SER 5 -19.373 25.961 27.422 24 H SER 6 H SER 6 -15.330 23.583 25.641 25 HA SER 6 HA SER 6 -13.736 24.835 23.498 26 HB2 SER 6 1HB SER 6 -14.030 26.568 25.339 27 HB3 SER 6 2HB SER 6 -13.118 25.485 26.406 28 HG SER 6 HG SER 6 -11.817 27.093 25.328 29 H GLY 7 H GLY 7 -11.453 24.272 23.620 30 HA2 GLY 7 1HA GLY 7 -9.598 23.007 24.060 31 HA3 GLY 7 2HA GLY 7 -10.421 22.328 25.454 32 H LYS 8 H LYS 8 -8.814 20.725 24.449 33 HA LYS 8 HA LYS 8 -8.300 18.749 23.471 34 HB2 LYS 8 1HB LYS 8 -11.191 18.255 24.174 35 HB3 LYS 8 2HB LYS 8 -10.060 16.981 23.692 36 HG2 LYS 8 1HG LYS 8 -8.573 17.461 25.539 37 HG3 LYS 8 2HG LYS 8 -9.549 18.834 26.058 38 HD2 LYS 8 1HD LYS 8 -10.570 15.963 25.991 39 HD3 LYS 8 2HD LYS 8 -9.857 16.748 27.409 40 HE2 LYS 8 1HE LYS 8 -11.593 18.560 27.241 41 HE3 LYS 8 2HE LYS 8 -12.370 17.659 25.933 42 HZ1 LYS 8 3HZ LYS 8 -13.387 17.203 28.095 43 HZ2 LYS 8 1HZ LYS 8 -11.978 16.645 28.701 44 HZ3 LYS 8 2HZ LYS 8 -12.729 15.828 27.497 45 HA PRO 9 HA PRO 9 -9.969 19.967 19.252 46 HB2 PRO 9 1HB PRO 9 -7.517 20.634 18.125 47 HB3 PRO 9 2HB PRO 9 -8.590 21.741 19.009 48 HG2 PRO 9 1HG PRO 9 -6.199 20.309 20.100 49 HG3 PRO 9 2HG PRO 9 -6.629 22.036 20.261 50 HD2 PRO 9 1HD PRO 9 -7.221 20.260 22.212 51 HD3 PRO 9 2HD PRO 9 -8.369 21.554 21.774 52 H TYR 10 H TYR 10 -7.225 17.916 20.204 53 HA TYR 10 HA TYR 10 -7.191 16.555 17.613 54 HB2 TYR 10 1HB TYR 10 -5.669 16.029 20.185 55 HB3 TYR 10 2HB TYR 10 -5.367 15.245 18.641 56 HD1 TYR 10 1HD TYR 10 -5.117 18.392 20.547 57 HD2 TYR 10 2HD TYR 10 -4.319 16.486 16.769 58 HE1 TYR 10 1HE TYR 10 -3.569 20.227 19.967 59 HE2 TYR 10 2HE TYR 10 -2.786 18.368 16.157 60 HH TYR 10 HH TYR 10 -2.136 21.094 18.383 61 H LYS 11 H LYS 11 -8.841 15.180 17.186 62 HA LYS 11 HA LYS 11 -9.977 13.405 19.321 63 HB2 LYS 11 1HB LYS 11 -11.066 14.294 16.621 64 HB3 LYS 11 2HB LYS 11 -11.755 12.979 17.555 65 HG2 LYS 11 1HG LYS 11 -13.098 14.847 17.961 66 HG3 LYS 11 2HG LYS 11 -12.207 14.527 19.447 67 HD2 LYS 11 1HD LYS 11 -10.747 16.437 19.047 68 HD3 LYS 11 2HD LYS 11 -11.366 16.613 17.395 69 HE2 LYS 11 1HE LYS 11 -12.390 18.332 18.631 70 HE3 LYS 11 2HE LYS 11 -13.642 17.116 18.366 71 HZ1 LYS 11 3HZ LYS 11 -12.061 17.478 20.860 72 HZ2 LYS 11 1HZ LYS 11 -13.232 16.333 20.657 73 HZ3 LYS 11 2HZ LYS 11 -13.622 17.920 20.663 74 H CYS 12 H CYS 12 -10.254 11.199 19.032 75 HA CYS 12 HA CYS 12 -8.386 9.808 17.296 76 HB2 CYS 12 1HB CYS 12 -8.794 9.090 19.547 77 HB3 CYS 12 2HB CYS 12 -10.524 8.904 19.226 78 HA PRO 13 HA PRO 13 -11.455 9.329 13.998 79 HB2 PRO 13 1HB PRO 13 -10.060 7.724 12.307 80 HB3 PRO 13 2HB PRO 13 -9.589 9.426 12.605 81 HG2 PRO 13 1HG PRO 13 -8.433 6.919 13.855 82 HG3 PRO 13 2HG PRO 13 -7.556 8.316 13.160 83 HD2 PRO 13 1HD PRO 13 -8.100 8.020 15.863 84 HD3 PRO 13 2HD PRO 13 -7.930 9.612 15.076 85 H GLN 14 H GLN 14 -10.386 6.871 16.182 86 HA GLN 14 HA GLN 14 -12.250 4.837 15.020 87 HB2 GLN 14 1HB GLN 14 -9.926 4.360 16.907 88 HB3 GLN 14 2HB GLN 14 -10.934 3.170 16.095 89 HG2 GLN 14 1HG GLN 14 -10.072 4.540 13.918 90 HG3 GLN 14 2HG GLN 14 -8.752 4.928 15.013 91 HE21 GLN 14 1HE2 GLN 14 -7.290 3.745 13.552 92 HE22 GLN 14 2HE2 GLN 14 -7.306 1.986 13.567 93 H CYS 15 H CYS 15 -11.628 6.700 17.983 94 HA CYS 15 HA CYS 15 -14.202 5.649 19.019 95 HB2 CYS 15 1HB CYS 15 -13.350 5.063 21.165 96 HB3 CYS 15 2HB CYS 15 -12.441 4.188 19.943 97 H SER 16 H SER 16 -14.491 6.820 21.356 98 HA SER 16 HA SER 16 -15.073 9.565 20.628 99 HB2 SER 16 1HB SER 16 -16.162 9.628 22.857 100 HB3 SER 16 2HB SER 16 -16.688 8.271 21.852 101 HG SER 16 HG SER 16 -16.228 7.630 24.016 102 H TYR 17 H TYR 17 -12.191 8.343 21.668 103 HA TYR 17 HA TYR 17 -11.333 10.040 23.757 104 HB2 TYR 17 1HB TYR 17 -10.156 8.047 23.078 105 HB3 TYR 17 2HB TYR 17 -9.840 8.700 21.484 106 HD1 TYR 17 1HD TYR 17 -9.029 8.911 25.105 107 HD2 TYR 17 2HD TYR 17 -7.956 10.288 21.155 108 HE1 TYR 17 1HE TYR 17 -6.874 9.785 25.990 109 HE2 TYR 17 2HE TYR 17 -5.787 11.128 22.041 110 HH TYR 17 HH TYR 17 -4.902 10.813 25.503 111 H ALA 18 H ALA 18 -10.279 11.934 23.889 112 HA ALA 18 HA ALA 18 -9.318 13.334 21.557 113 HB1 ALA 18 1HB ALA 18 -11.394 14.724 23.307 114 HB2 ALA 18 2HB ALA 18 -10.537 15.417 21.907 115 HB3 ALA 18 3HB ALA 18 -11.702 14.098 21.675 116 H SER 19 H SER 19 -7.812 15.002 22.040 117 HA SER 19 HA SER 19 -7.115 15.561 24.858 118 HB2 SER 19 1HB SER 19 -5.852 13.469 24.070 119 HB3 SER 19 2HB SER 19 -4.963 14.541 22.976 120 HG SER 19 HG SER 19 -5.114 14.584 25.825 121 H ALA 20 H ALA 20 -5.208 17.095 24.953 122 HA ALA 20 HA ALA 20 -5.697 19.349 23.095 123 HB1 ALA 20 1HB ALA 20 -6.002 19.687 25.519 124 HB2 ALA 20 2HB ALA 20 -4.298 19.248 25.791 125 HB3 ALA 20 3HB ALA 20 -4.709 20.710 24.869 126 H ILE 21 H ILE 21 -3.565 16.852 23.088 127 HA ILE 21 HA ILE 21 -1.311 18.431 21.914 128 HB ILE 21 HB ILE 21 -1.162 16.214 23.994 129 HG12 ILE 21 1HG1 ILE 21 -0.423 19.172 24.177 130 HG13 ILE 21 2HG1 ILE 21 -1.772 18.378 24.992 131 HG21 ILE 21 1HG2 ILE 21 1.283 16.500 23.929 132 HG22 ILE 21 2HG2 ILE 21 0.672 15.996 22.382 133 HG23 ILE 21 3HG2 ILE 21 1.122 17.702 22.625 134 HD11 ILE 21 3HD1 ILE 21 1.166 17.992 25.606 135 HD12 ILE 21 1HD1 ILE 21 -0.094 18.700 26.621 136 HD13 ILE 21 2HD1 ILE 21 -0.134 16.962 26.263 137 H LYS 22 H LYS 22 -0.534 17.604 20.023 138 HA LYS 22 HA LYS 22 -1.825 15.442 18.685 139 HB2 LYS 22 1HB LYS 22 -0.636 17.344 17.569 140 HB3 LYS 22 2HB LYS 22 0.901 16.689 18.116 141 HG2 LYS 22 1HG LYS 22 0.593 16.105 15.812 142 HG3 LYS 22 2HG LYS 22 0.493 14.623 16.754 143 HD2 LYS 22 1HD LYS 22 -2.021 14.705 16.568 144 HD3 LYS 22 2HD LYS 22 -1.867 16.223 15.675 145 HE2 LYS 22 1HE LYS 22 -2.134 14.703 13.956 146 HE3 LYS 22 2HE LYS 22 -0.385 14.923 14.011 147 HZ1 LYS 22 3HZ LYS 22 -1.911 12.635 15.142 148 HZ2 LYS 22 1HZ LYS 22 -0.308 12.818 15.369 149 HZ3 LYS 22 2HZ LYS 22 -0.902 12.587 13.865 150 H ALA 23 H ALA 23 1.252 15.471 20.487 151 HA ALA 23 HA ALA 23 2.041 12.800 19.968 152 HB1 ALA 23 1HB ALA 23 2.534 14.477 22.463 153 HB2 ALA 23 2HB ALA 23 3.460 13.060 21.940 154 HB3 ALA 23 3HB ALA 23 3.491 14.538 20.962 155 H ASN 24 H ASN 24 -0.315 14.013 22.376 156 HA ASN 24 HA ASN 24 -0.691 11.460 23.694 157 HB2 ASN 24 1HB ASN 24 -2.419 13.974 23.495 158 HB3 ASN 24 2HB ASN 24 -2.845 12.575 24.447 159 HD21 ASN 24 1HD2 ASN 24 -2.841 14.742 25.805 160 HD22 ASN 24 2HD2 ASN 24 -1.416 14.861 26.847 161 H LEU 25 H LEU 25 -2.285 13.046 20.867 162 HA LEU 25 HA LEU 25 -4.101 10.842 20.454 163 HB2 LEU 25 1HB LEU 25 -4.530 13.036 19.501 164 HB3 LEU 25 2HB LEU 25 -3.062 12.945 18.525 165 HG LEU 25 HG LEU 25 -3.983 11.054 17.249 166 HD11 LEU 25 1HD1 LEU 25 -6.349 10.415 17.466 167 HD12 LEU 25 2HD1 LEU 25 -6.510 11.422 18.925 168 HD13 LEU 25 3HD1 LEU 25 -5.461 9.985 18.920 169 HD21 LEU 25 3HD2 LEU 25 -5.971 13.345 17.408 170 HD22 LEU 25 1HD2 LEU 25 -5.694 12.267 16.030 171 HD23 LEU 25 2HD2 LEU 25 -4.422 13.398 16.532 172 H ASN 26 H ASN 26 -0.825 11.519 19.066 173 HA ASN 26 HA ASN 26 -0.576 9.219 17.455 174 HB2 ASN 26 1HB ASN 26 1.586 10.409 19.266 175 HB3 ASN 26 2HB ASN 26 1.866 9.345 17.905 176 HD21 ASN 26 1HD2 ASN 26 3.189 11.635 18.216 177 HD22 ASN 26 2HD2 ASN 26 2.743 12.742 16.910 178 H VAL 27 H VAL 27 0.165 9.524 20.965 179 HA VAL 27 HA VAL 27 1.040 6.827 21.223 180 HB VAL 27 HB VAL 27 1.307 8.995 22.759 181 HG11 VAL 27 1HG1 VAL 27 -0.683 7.439 24.416 182 HG12 VAL 27 2HG1 VAL 27 0.345 8.793 24.934 183 HG13 VAL 27 3HG1 VAL 27 -0.911 9.072 23.743 184 HG21 VAL 27 3HG2 VAL 27 2.656 6.988 22.768 185 HG22 VAL 27 1HG2 VAL 27 2.261 7.433 24.439 186 HG23 VAL 27 2HG2 VAL 27 1.364 6.105 23.640 187 H HIS 28 H HIS 28 -2.073 8.324 21.737 188 HA HIS 28 HA HIS 28 -3.411 6.115 22.852 189 HB2 HIS 28 1HB HIS 28 -4.269 8.357 22.951 190 HB3 HIS 28 2HB HIS 28 -4.348 8.497 21.198 191 HD1 HIS 28 1HD HIS 28 -6.342 6.842 24.018 192 HD2 HIS 28 2HD HIS 28 -6.355 7.403 19.856 193 HE1 HIS 28 1HE HIS 28 -8.544 5.875 23.191 194 H LEU 29 H LEU 29 -3.009 7.024 19.406 195 HA LEU 29 HA LEU 29 -4.745 5.093 18.256 196 HB2 LEU 29 1HB LEU 29 -2.198 6.380 17.219 197 HB3 LEU 29 2HB LEU 29 -3.269 5.434 16.199 198 HG LEU 29 HG LEU 29 -4.243 7.878 17.701 199 HD11 LEU 29 1HD1 LEU 29 -3.932 9.141 15.597 200 HD12 LEU 29 2HD1 LEU 29 -3.171 7.718 14.849 201 HD13 LEU 29 3HD1 LEU 29 -2.383 8.548 16.209 202 HD21 LEU 29 3HD2 LEU 29 -5.316 6.412 15.273 203 HD22 LEU 29 1HD2 LEU 29 -5.936 7.940 15.933 204 HD23 LEU 29 2HD2 LEU 29 -6.043 6.469 16.903 205 H ARG 30 H ARG 30 -1.619 4.603 19.650 206 HA ARG 30 HA ARG 30 -0.714 2.291 18.296 207 HB2 ARG 30 1HB ARG 30 -0.365 3.026 21.237 208 HB3 ARG 30 2HB ARG 30 0.573 1.807 20.382 209 HG2 ARG 30 1HG ARG 30 1.425 3.513 18.807 210 HG3 ARG 30 2HG ARG 30 0.508 4.765 19.665 211 HD2 ARG 30 1HD ARG 30 1.768 4.292 21.735 212 HD3 ARG 30 2HD ARG 30 2.689 3.032 20.886 213 HE ARG 30 HE ARG 30 2.929 5.461 19.419 214 HH11 ARG 30 2HH1 ARG 30 4.081 4.134 22.451 215 HH12 ARG 30 1HH1 ARG 30 5.515 5.124 22.444 216 HH21 ARG 30 2HH2 ARG 30 4.785 6.690 19.471 217 HH22 ARG 30 1HH2 ARG 30 5.892 6.533 20.801 218 H LYS 31 H LYS 31 -3.223 2.501 20.765 219 HA LYS 31 HA LYS 31 -3.378 -0.383 21.204 220 HB2 LYS 31 1HB LYS 31 -5.063 0.053 22.710 221 HB3 LYS 31 2HB LYS 31 -4.032 1.480 22.798 222 HG2 LYS 31 1HG LYS 31 -5.728 2.654 21.268 223 HG3 LYS 31 2HG LYS 31 -6.735 1.216 21.401 224 HD2 LYS 31 1HD LYS 31 -7.555 2.819 22.980 225 HD3 LYS 31 2HD LYS 31 -6.810 1.485 23.869 226 HE2 LYS 31 1HE LYS 31 -4.701 2.919 24.048 227 HE3 LYS 31 2HE LYS 31 -5.614 4.245 23.330 228 HZ1 LYS 31 3HZ LYS 31 -7.168 4.061 25.247 229 HZ2 LYS 31 1HZ LYS 31 -5.641 4.338 25.773 230 HZ3 LYS 31 2HZ LYS 31 -6.283 2.846 25.877 231 H HIS 32 H HIS 32 -4.662 1.679 18.818 232 HA HIS 32 HA HIS 32 -6.823 -0.134 17.964 233 HB2 HIS 32 1HB HIS 32 -5.876 2.551 16.889 234 HB3 HIS 32 2HB HIS 32 -7.258 1.653 16.319 235 HD1 HIS 32 1HD HIS 32 -8.791 0.951 18.953 236 HD2 HIS 32 2HD HIS 32 -6.920 4.608 18.080 237 HE1 HIS 32 1HE HIS 32 -9.956 2.678 20.396 238 H THR 33 H THR 33 -3.724 -0.656 17.619 239 HA THR 33 HA THR 33 -3.413 -0.835 14.719 240 HB THR 33 HB THR 33 -1.189 -1.795 15.267 241 HG1 THR 33 1HG THR 33 -1.514 -1.035 17.926 242 HG21 THR 33 3HG2 THR 33 -0.298 0.309 16.237 243 HG22 THR 33 1HG2 THR 33 -1.970 0.831 16.593 244 HG23 THR 33 2HG2 THR 33 -1.460 0.575 14.919 245 H GLY 34 H GLY 34 -2.419 -2.860 13.784 246 HA2 GLY 34 1HA GLY 34 -2.626 -5.212 13.354 247 HA3 GLY 34 2HA GLY 34 -3.945 -5.305 14.530 248 H GLU 35 H GLU 35 -3.012 -3.911 11.403 249 HA GLU 35 HA GLU 35 -5.799 -3.890 10.349 250 HB2 GLU 35 1HB GLU 35 -5.255 -1.717 11.428 251 HB3 GLU 35 2HB GLU 35 -3.760 -1.621 10.507 252 HG2 GLU 35 1HG GLU 35 -5.372 -0.119 9.624 253 HG3 GLU 35 2HG GLU 35 -5.020 -1.336 8.419 254 H LYS 36 H LYS 36 -5.914 -3.600 8.039 255 HA LYS 36 HA LYS 36 -3.802 -5.084 6.616 256 HB2 LYS 36 1HB LYS 36 -6.404 -3.808 5.687 257 HB3 LYS 36 2HB LYS 36 -5.237 -4.597 4.609 258 HG2 LYS 36 1HG LYS 36 -5.450 -6.670 6.108 259 HG3 LYS 36 2HG LYS 36 -6.861 -5.880 6.837 260 HD2 LYS 36 1HD LYS 36 -7.919 -5.726 4.588 261 HD3 LYS 36 2HD LYS 36 -6.479 -6.487 3.871 262 HE2 LYS 36 1HE LYS 36 -6.862 -8.507 5.279 263 HE3 LYS 36 2HE LYS 36 -8.317 -7.759 5.951 264 HZ1 LYS 36 3HZ LYS 36 -7.910 -8.417 3.080 265 HZ2 LYS 36 1HZ LYS 36 -9.257 -7.729 3.699 266 HZ3 LYS 36 2HZ LYS 36 -8.856 -9.255 4.112 267 H PHE 37 H PHE 37 -2.050 -4.248 6.295 268 HA PHE 37 HA PHE 37 -1.705 -1.479 5.279 269 HB2 PHE 37 1HB PHE 37 0.420 -3.573 5.766 270 HB3 PHE 37 2HB PHE 37 0.621 -1.822 5.629 271 HD1 PHE 37 2HD PHE 37 -0.815 -0.444 7.487 272 HD2 PHE 37 1HD PHE 37 0.396 -4.561 7.832 273 HE1 PHE 37 2HE PHE 37 -1.076 -0.317 9.948 274 HE2 PHE 37 1HE PHE 37 0.181 -4.433 10.273 275 HZ PHE 37 HZ PHE 37 -0.609 -2.312 11.360 276 H ALA 38 H ALA 38 -1.855 -1.159 3.174 277 HA ALA 38 HA ALA 38 -1.643 -3.345 1.227 278 HB1 ALA 38 1HB ALA 38 -2.452 -1.691 -0.376 279 HB2 ALA 38 2HB ALA 38 -3.472 -1.677 1.078 280 HB3 ALA 38 3HB ALA 38 -2.260 -0.396 0.822 281 H CYS 39 H CYS 39 -0.241 -3.530 -0.499 282 HA CYS 39 HA CYS 39 2.431 -2.461 -0.273 283 HB2 CYS 39 1HB CYS 39 1.877 -4.620 -1.161 284 HB3 CYS 39 2HB CYS 39 0.867 -3.916 -2.420 285 H ASP 40 H ASP 40 3.448 -0.949 -1.317 286 HA ASP 40 HA ASP 40 1.947 1.361 -2.334 287 HB2 ASP 40 1HB ASP 40 4.853 0.725 -1.754 288 HB3 ASP 40 2HB ASP 40 4.399 2.203 -2.605 289 H TYR 41 H TYR 41 3.058 -1.514 -3.720 290 HA TYR 41 HA TYR 41 3.499 -0.254 -6.415 291 HB2 TYR 41 1HB TYR 41 4.847 -2.679 -5.172 292 HB3 TYR 41 2HB TYR 41 5.112 -2.045 -6.782 293 HD1 TYR 41 1HD TYR 41 6.173 0.277 -7.024 294 HD2 TYR 41 2HD TYR 41 5.735 -1.699 -3.232 295 HE1 TYR 41 1HE TYR 41 7.894 1.800 -6.051 296 HE2 TYR 41 2HE TYR 41 7.477 -0.174 -2.240 297 HH TYR 41 HH TYR 41 9.119 2.336 -4.221 298 H CYS 42 H CYS 42 1.896 -2.844 -4.703 299 HA CYS 42 HA CYS 42 0.221 -3.231 -7.121 300 HB2 CYS 42 1HB CYS 42 0.172 -5.647 -6.973 301 HB3 CYS 42 2HB CYS 42 1.818 -5.069 -7.257 302 H SER 43 H SER 43 -1.651 -4.872 -6.494 303 HA SER 43 HA SER 43 -3.264 -3.571 -4.474 304 HB2 SER 43 1HB SER 43 -3.836 -6.083 -6.084 305 HB3 SER 43 2HB SER 43 -5.018 -5.098 -5.202 306 HG SER 43 HG SER 43 -4.969 -4.589 -7.442 307 H PHE 44 H PHE 44 -0.825 -5.683 -3.878 308 HA PHE 44 HA PHE 44 -1.929 -7.705 -2.247 309 HB2 PHE 44 1HB PHE 44 0.305 -7.765 -3.040 310 HB3 PHE 44 2HB PHE 44 0.750 -6.308 -2.180 311 HD1 PHE 44 2HD PHE 44 -0.026 -9.925 -1.816 312 HD2 PHE 44 1HD PHE 44 1.373 -6.357 0.159 313 HE1 PHE 44 2HE PHE 44 0.792 -11.294 0.093 314 HE2 PHE 44 1HE PHE 44 2.200 -7.727 2.055 315 HZ PHE 44 HZ PHE 44 1.908 -10.196 2.028 316 H THR 45 H THR 45 -2.101 -7.916 -0.007 317 HA THR 45 HA THR 45 -1.730 -5.603 1.749 318 HB THR 45 HB THR 45 -3.874 -5.976 2.896 319 HG1 THR 45 1HG THR 45 -4.614 -7.380 0.550 320 HG21 THR 45 3HG2 THR 45 -4.118 -5.077 0.012 321 HG22 THR 45 1HG2 THR 45 -3.681 -4.105 1.439 322 HG23 THR 45 2HG2 THR 45 -5.314 -4.777 1.303 323 H CYS 46 H CYS 46 -1.527 -6.068 3.919 324 HA CYS 46 HA CYS 46 -1.629 -8.889 4.831 325 HB2 CYS 46 1HB CYS 46 0.721 -8.322 3.872 326 HB3 CYS 46 2HB CYS 46 0.880 -7.250 5.284 327 HG CYS 46 HG CYS 46 0.267 -10.520 5.146 328 H LEU 47 H LEU 47 -1.702 -9.135 7.102 329 HA LEU 47 HA LEU 47 -2.521 -6.781 8.683 330 HB2 LEU 47 1HB LEU 47 -2.350 -9.743 9.360 331 HB3 LEU 47 2HB LEU 47 -2.981 -8.500 10.436 332 HG LEU 47 HG LEU 47 -4.189 -9.249 7.736 333 HD11 LEU 47 1HD1 LEU 47 -6.009 -10.195 9.080 334 HD12 LEU 47 2HD1 LEU 47 -5.143 -9.781 10.578 335 HD13 LEU 47 3HD1 LEU 47 -4.469 -10.987 9.457 336 HD21 LEU 47 3HD2 LEU 47 -4.615 -6.895 8.257 337 HD22 LEU 47 1HD2 LEU 47 -5.145 -7.320 9.898 338 HD23 LEU 47 2HD2 LEU 47 -6.094 -7.838 8.484 339 H SER 48 H SER 48 0.431 -8.010 7.889 340 HA SER 48 HA SER 48 1.717 -6.892 10.350 341 HB2 SER 48 1HB SER 48 2.006 -9.274 10.474 342 HB3 SER 48 2HB SER 48 2.450 -9.364 8.767 343 HG SER 48 HG SER 48 3.937 -8.314 10.945 344 H LYS 49 H LYS 49 2.765 -5.175 9.948 345 HA LYS 49 HA LYS 49 3.461 -4.188 7.349 346 HB2 LYS 49 1HB LYS 49 4.954 -2.632 8.881 347 HB3 LYS 49 2HB LYS 49 3.209 -2.424 8.698 348 HG2 LYS 49 1HG LYS 49 2.827 -3.549 10.855 349 HG3 LYS 49 2HG LYS 49 4.576 -3.822 11.038 350 HD2 LYS 49 1HD LYS 49 4.978 -1.416 11.138 351 HD3 LYS 49 2HD LYS 49 3.275 -1.073 10.745 352 HE2 LYS 49 1HE LYS 49 2.540 -2.180 12.811 353 HE3 LYS 49 2HE LYS 49 4.214 -2.586 13.221 354 HZ1 LYS 49 3HZ LYS 49 4.692 -0.197 13.354 355 HZ2 LYS 49 1HZ LYS 49 3.486 -0.579 14.382 356 HZ3 LYS 49 2HZ LYS 49 3.146 0.181 12.978 357 H GLY 50 H GLY 50 5.272 -6.105 9.679 358 HA2 GLY 50 1HA GLY 50 7.878 -5.827 8.434 359 HA3 GLY 50 2HA GLY 50 7.351 -7.071 9.570 360 H HIS 51 H HIS 51 5.197 -8.210 8.069 361 HA HIS 51 HA HIS 51 6.528 -9.828 6.066 362 HB2 HIS 51 1HB HIS 51 3.640 -9.423 6.912 363 HB3 HIS 51 2HB HIS 51 4.096 -10.491 5.587 364 HD1 HIS 51 1HD HIS 51 4.444 -10.332 9.425 365 HD2 HIS 51 2HD HIS 51 5.511 -12.604 6.073 366 HE1 HIS 51 1HE HIS 51 5.298 -12.565 10.344 367 H LEU 52 H LEU 52 4.260 -7.121 5.855 368 HA LEU 52 HA LEU 52 4.187 -6.829 3.032 369 HB2 LEU 52 1HB LEU 52 2.662 -5.635 4.500 370 HB3 LEU 52 2HB LEU 52 4.003 -4.771 5.253 371 HG LEU 52 HG LEU 52 4.482 -3.587 3.136 372 HD11 LEU 52 1HD1 LEU 52 3.629 -5.257 1.501 373 HD12 LEU 52 2HD1 LEU 52 2.871 -3.689 1.294 374 HD13 LEU 52 3HD1 LEU 52 1.972 -4.988 2.102 375 HD21 LEU 52 3HD2 LEU 52 2.589 -2.110 3.204 376 HD22 LEU 52 1HD2 LEU 52 2.872 -2.696 4.857 377 HD23 LEU 52 2HD2 LEU 52 1.562 -3.386 3.876 378 H LYS 53 H LYS 53 6.623 -5.490 5.350 379 HA LYS 53 HA LYS 53 8.283 -4.274 3.366 380 HB2 LYS 53 1HB LYS 53 8.831 -3.700 5.545 381 HB3 LYS 53 2HB LYS 53 8.804 -5.355 6.135 382 HG2 LYS 53 1HG LYS 53 10.885 -5.902 5.074 383 HG3 LYS 53 2HG LYS 53 10.914 -4.376 4.175 384 HD2 LYS 53 1HD LYS 53 10.841 -4.339 7.201 385 HD3 LYS 53 2HD LYS 53 12.359 -4.713 6.390 386 HE2 LYS 53 1HE LYS 53 10.764 -2.301 5.509 387 HE3 LYS 53 2HE LYS 53 11.717 -2.207 6.994 388 HZ1 LYS 53 3HZ LYS 53 12.916 -3.017 4.378 389 HZ2 LYS 53 1HZ LYS 53 13.698 -2.716 5.769 390 HZ3 LYS 53 2HZ LYS 53 12.963 -1.493 4.982 391 H VAL 54 H VAL 54 8.525 -7.647 4.650 392 HA VAL 54 HA VAL 54 10.518 -8.510 2.845 393 HB VAL 54 HB VAL 54 8.234 -10.162 3.989 394 HG11 VAL 54 1HG1 VAL 54 9.831 -12.088 3.573 395 HG12 VAL 54 2HG1 VAL 54 9.135 -11.390 2.113 396 HG13 VAL 54 3HG1 VAL 54 10.805 -10.984 2.565 397 HG21 VAL 54 3HG2 VAL 54 11.136 -9.835 4.857 398 HG22 VAL 54 1HG2 VAL 54 9.734 -9.133 5.687 399 HG23 VAL 54 2HG2 VAL 54 9.913 -10.887 5.614 400 H HIS 55 H HIS 55 6.969 -8.448 2.242 401 HA HIS 55 HA HIS 55 7.003 -9.591 -0.323 402 HB2 HIS 55 1HB HIS 55 4.916 -9.208 0.777 403 HB3 HIS 55 2HB HIS 55 5.232 -7.489 0.953 404 HD1 HIS 55 1HD HIS 55 4.222 -9.991 -1.789 405 HD2 HIS 55 2HD HIS 55 4.522 -5.870 -1.015 406 HE1 HIS 55 1HE HIS 55 3.147 -8.831 -3.772 407 H ILE 56 H ILE 56 7.531 -6.117 0.524 408 HA ILE 56 HA ILE 56 7.971 -5.350 -2.263 409 HB ILE 56 HB ILE 56 8.539 -3.928 0.355 410 HG12 ILE 56 1HG1 ILE 56 6.277 -3.479 -1.648 411 HG13 ILE 56 2HG1 ILE 56 6.107 -4.450 -0.194 412 HG21 ILE 56 1HG2 ILE 56 8.798 -1.876 -0.982 413 HG22 ILE 56 2HG2 ILE 56 9.978 -3.067 -1.508 414 HG23 ILE 56 3HG2 ILE 56 8.519 -2.787 -2.481 415 HD11 ILE 56 3HD1 ILE 56 5.185 -2.297 0.239 416 HD12 ILE 56 1HD1 ILE 56 6.650 -2.497 1.217 417 HD13 ILE 56 2HD1 ILE 56 6.678 -1.475 -0.245 418 H GLU 57 H GLU 57 10.122 -6.229 0.409 419 HA GLU 57 HA GLU 57 12.610 -5.665 -0.939 420 HB2 GLU 57 1HB GLU 57 11.907 -7.582 1.295 421 HB3 GLU 57 2HB GLU 57 13.541 -7.128 0.915 422 HG2 GLU 57 1HG GLU 57 11.534 -4.960 1.632 423 HG3 GLU 57 2HG GLU 57 12.196 -6.015 2.875 424 H ARG 58 H ARG 58 10.396 -8.214 -1.405 425 HA ARG 58 HA ARG 58 12.462 -9.798 -2.916 426 HB2 ARG 58 1HB ARG 58 11.454 -11.784 -2.399 427 HB3 ARG 58 2HB ARG 58 11.285 -10.851 -0.930 428 HG2 ARG 58 1HG ARG 58 8.909 -10.307 -1.644 429 HG3 ARG 58 2HG ARG 58 9.117 -11.482 -2.951 430 HD2 ARG 58 1HD ARG 58 9.420 -12.072 0.016 431 HD3 ARG 58 2HD ARG 58 7.967 -12.402 -0.917 432 HE ARG 58 HE ARG 58 10.487 -13.910 -0.923 433 HH11 ARG 58 1HH1 ARG 58 7.503 -13.449 -2.715 434 HH12 ARG 58 2HH1 ARG 58 7.671 -14.971 -3.546 435 HH21 ARG 58 2HH2 ARG 58 10.627 -15.827 -2.019 436 HH22 ARG 58 1HH2 ARG 58 9.390 -16.276 -3.155 437 H VAL 59 H VAL 59 9.103 -8.589 -3.205 438 HA VAL 59 HA VAL 59 9.010 -9.616 -5.926 439 HB VAL 59 HB VAL 59 6.894 -7.989 -4.463 440 HG11 VAL 59 1HG1 VAL 59 6.579 -7.924 -6.904 441 HG12 VAL 59 2HG1 VAL 59 6.723 -9.696 -6.980 442 HG13 VAL 59 3HG1 VAL 59 5.351 -8.935 -6.144 443 HG21 VAL 59 3HG2 VAL 59 7.206 -10.086 -3.274 444 HG22 VAL 59 1HG2 VAL 59 5.742 -10.216 -4.234 445 HG23 VAL 59 2HG2 VAL 59 7.231 -11.005 -4.801 446 H HIS 60 H HIS 60 8.906 -6.393 -4.373 447 HA HIS 60 HA HIS 60 9.262 -5.045 -6.986 448 HB2 HIS 60 1HB HIS 60 8.399 -3.864 -4.361 449 HB3 HIS 60 2HB HIS 60 8.298 -3.124 -5.956 450 HD1 HIS 60 1HD HIS 60 6.520 -4.584 -7.703 451 HD2 HIS 60 2HD HIS 60 6.299 -5.087 -3.539 452 HE1 HIS 60 1HE HIS 60 4.227 -5.587 -7.247 453 H LYS 61 H LYS 61 11.477 -6.300 -5.391 454 HA LYS 61 HA LYS 61 13.225 -4.210 -4.454 455 HB2 LYS 61 1HB LYS 61 13.349 -6.481 -3.690 456 HB3 LYS 61 2HB LYS 61 13.594 -7.097 -5.310 457 HG2 LYS 61 1HG LYS 61 15.640 -7.241 -4.073 458 HG3 LYS 61 2HG LYS 61 15.823 -6.149 -5.424 459 HD2 LYS 61 1HD LYS 61 17.023 -5.385 -3.432 460 HD3 LYS 61 2HD LYS 61 15.805 -4.202 -3.916 461 HE2 LYS 61 1HE LYS 61 14.292 -4.920 -2.180 462 HE3 LYS 61 2HE LYS 61 15.305 -6.319 -1.789 463 HZ1 LYS 61 3HZ LYS 61 16.146 -3.495 -1.411 464 HZ2 LYS 61 1HZ LYS 61 17.006 -4.824 -0.978 465 HZ3 LYS 61 2HZ LYS 61 15.590 -4.482 -0.226 466 H LYS 62 H LYS 62 15.041 -3.324 -5.420 467 HA LYS 62 HA LYS 62 16.060 -1.996 -6.932 468 HB2 LYS 62 1HB LYS 62 15.587 -4.177 -8.989 469 HB3 LYS 62 2HB LYS 62 16.721 -2.847 -9.111 470 HG2 LYS 62 1HG LYS 62 16.840 -5.188 -7.176 471 HG3 LYS 62 2HG LYS 62 17.867 -4.914 -8.567 472 HD2 LYS 62 1HD LYS 62 17.839 -3.223 -6.027 473 HD3 LYS 62 2HD LYS 62 19.033 -4.442 -6.474 474 HE2 LYS 62 1HE LYS 62 19.580 -3.104 -8.536 475 HE3 LYS 62 2HE LYS 62 18.476 -1.842 -7.969 476 HZ1 LYS 62 3HZ LYS 62 19.862 -1.644 -5.952 477 HZ2 LYS 62 1HZ LYS 62 20.742 -1.345 -7.300 478 HZ3 LYS 62 2HZ LYS 62 20.898 -2.774 -6.524 479 H ILE 63 H ILE 63 14.222 -0.669 -6.484 480 HA ILE 63 HA ILE 63 12.701 0.194 -8.887 481 HB ILE 63 HB ILE 63 11.475 -1.517 -7.442 482 HG12 ILE 63 1HG1 ILE 63 9.936 1.064 -7.706 483 HG13 ILE 63 2HG1 ILE 63 10.479 0.142 -9.120 484 HG21 ILE 63 1HG2 ILE 63 10.378 -0.704 -5.389 485 HG22 ILE 63 2HG2 ILE 63 12.128 -0.603 -5.221 486 HG23 ILE 63 3HG2 ILE 63 11.167 0.862 -5.542 487 HD11 ILE 63 3HD1 ILE 63 8.171 -0.443 -8.483 488 HD12 ILE 63 1HD1 ILE 63 9.260 -1.840 -8.357 489 HD13 ILE 63 2HD1 ILE 63 8.746 -0.982 -6.892 490 H LYS 64 H LYS 64 11.486 2.196 -8.402 491 HA LYS 64 HA LYS 64 13.214 4.219 -7.154 492 HB2 LYS 64 1HB LYS 64 10.509 4.597 -8.485 493 HB3 LYS 64 2HB LYS 64 11.663 5.862 -8.074 494 HG2 LYS 64 1HG LYS 64 12.036 3.695 -10.185 495 HG3 LYS 64 2HG LYS 64 11.680 5.397 -10.460 496 HD2 LYS 64 1HD LYS 64 13.874 6.019 -9.439 497 HD3 LYS 64 2HD LYS 64 14.243 4.290 -9.236 498 HE2 LYS 64 1HE LYS 64 14.030 3.928 -11.662 499 HE3 LYS 64 2HE LYS 64 13.621 5.632 -11.904 500 HZ1 LYS 64 3HZ LYS 64 15.827 6.228 -11.116 501 HZ2 LYS 64 1HZ LYS 64 15.989 5.148 -12.328 502 HZ3 LYS 64 2HZ LYS 64 16.201 4.670 -10.776 503 H GLN 65 H GLN 65 12.694 5.641 -5.543 504 HA GLN 65 HA GLN 65 10.250 5.293 -3.877 505 HB2 GLN 65 1HB GLN 65 13.019 5.491 -2.614 506 HB3 GLN 65 2HB GLN 65 11.472 5.258 -1.821 507 HG2 GLN 65 1HG GLN 65 12.404 3.170 -1.670 508 HG3 GLN 65 2HG GLN 65 11.327 3.008 -3.060 509 HE21 GLN 65 1HE2 GLN 65 12.709 1.111 -3.546 510 HE22 GLN 65 2HE2 GLN 65 14.065 1.485 -4.608 511 H HIS 66 H HIS 66 10.249 7.125 -2.114 512 HA HIS 66 HA HIS 66 11.879 9.453 -2.853 513 HB2 HIS 66 1HB HIS 66 10.140 11.047 -2.814 514 HB3 HIS 66 2HB HIS 66 9.707 9.814 -3.983 515 HD1 HIS 66 1HD HIS 66 7.311 8.746 -3.634 516 HD2 HIS 66 2HD HIS 66 8.784 10.934 -0.359 517 HE1 HIS 66 1HE HIS 66 5.374 8.969 -1.993 518 H CYS 67 H CYS 67 12.362 10.879 -1.225 519 HA CYS 67 HA CYS 67 12.416 9.846 1.488 520 HB2 CYS 67 1HB CYS 67 14.288 10.978 0.392 521 HB3 CYS 67 2HB CYS 67 13.303 12.426 0.161 522 H ARG 68 H ARG 68 11.149 10.313 3.168 523 HA ARG 68 HA ARG 68 8.728 11.890 2.747 524 HB2 ARG 68 1HB ARG 68 7.945 11.052 4.801 525 HB3 ARG 68 2HB ARG 68 8.773 9.752 3.975 526 HG2 ARG 68 1HG ARG 68 9.431 9.454 6.155 527 HG3 ARG 68 2HG ARG 68 10.823 10.314 5.495 528 HD2 ARG 68 1HD ARG 68 10.111 12.388 6.559 529 HD3 ARG 68 2HD ARG 68 8.540 11.715 6.977 530 HE ARG 68 HE ARG 68 11.106 11.321 8.335 531 HH11 ARG 68 2HH2 ARG 68 7.829 10.081 8.107 532 HH12 ARG 68 1HH2 ARG 68 7.899 9.352 9.687 533 HH21 ARG 68 2HH1 ARG 68 11.106 10.379 10.356 534 HH22 ARG 68 1HH1 ARG 68 9.708 9.511 10.912 535 H PHE 69 H PHE 69 11.826 12.764 3.800 536 HA PHE 69 HA PHE 69 10.908 15.020 5.496 537 HB2 PHE 69 1HB PHE 69 13.663 14.097 4.698 538 HB3 PHE 69 2HB PHE 69 13.317 15.377 5.839 539 HD1 PHE 69 2HD PHE 69 12.477 14.872 8.102 540 HD2 PHE 69 1HD PHE 69 13.483 11.737 5.318 541 HE1 PHE 69 2HE PHE 69 12.697 13.271 9.981 542 HE2 PHE 69 1HE PHE 69 13.697 10.134 7.198 543 HZ PHE 69 HZ PHE 69 13.354 10.905 9.538 544 H CYS 70 H CYS 70 12.466 14.507 2.310 545 HA CYS 70 HA CYS 70 12.188 17.412 1.698 546 HB2 CYS 70 1HB CYS 70 14.353 17.492 0.739 547 HB3 CYS 70 2HB CYS 70 14.447 16.976 2.418 548 H LYS 71 H LYS 71 11.090 14.485 0.690 549 HA LYS 71 HA LYS 71 10.243 13.595 -1.196 550 HB2 LYS 71 1HB LYS 71 9.719 16.517 -1.800 551 HB3 LYS 71 2HB LYS 71 9.037 15.204 -2.746 552 HG2 LYS 71 1HG LYS 71 8.589 15.475 0.257 553 HG3 LYS 71 2HG LYS 71 7.525 16.157 -0.974 554 HD2 LYS 71 1HD LYS 71 7.107 13.917 -1.916 555 HD3 LYS 71 2HD LYS 71 8.171 13.190 -0.697 556 HE2 LYS 71 1HE LYS 71 6.721 13.925 1.109 557 HE3 LYS 71 2HE LYS 71 5.700 14.827 -0.017 558 HZ1 LYS 71 3HZ LYS 71 4.764 12.634 0.559 559 HZ2 LYS 71 1HZ LYS 71 6.047 11.868 -0.113 560 HZ3 LYS 71 2HZ LYS 71 5.039 12.750 -1.043 561 H LYS 72 H LYS 72 13.177 14.308 -1.282 562 HA LYS 72 HA LYS 72 13.885 14.365 -4.083 563 HB2 LYS 72 1HB LYS 72 15.393 14.835 -2.051 564 HB3 LYS 72 2HB LYS 72 15.436 13.105 -1.779 565 HG2 LYS 72 1HG LYS 72 16.452 12.727 -3.979 566 HG3 LYS 72 2HG LYS 72 16.257 14.435 -4.409 567 HD2 LYS 72 1HD LYS 72 17.862 15.121 -2.715 568 HD3 LYS 72 2HD LYS 72 17.960 13.473 -2.071 569 HE2 LYS 72 1HE LYS 72 18.746 12.713 -4.364 570 HE3 LYS 72 2HE LYS 72 18.839 14.415 -4.837 571 HZ1 LYS 72 3HZ LYS 72 20.444 14.730 -3.000 572 HZ2 LYS 72 1HZ LYS 72 20.983 13.602 -4.051 573 HZ3 LYS 72 2HZ LYS 72 20.344 13.134 -2.622 574 H LYS 73 H LYS 73 14.056 12.696 -5.553 575 HA LYS 73 HA LYS 73 12.862 10.090 -4.810 576 HB2 LYS 73 1HB LYS 73 13.520 11.353 -7.481 577 HB3 LYS 73 2HB LYS 73 13.037 9.655 -7.308 578 HG2 LYS 73 1HG LYS 73 10.923 10.281 -6.262 579 HG3 LYS 73 2HG LYS 73 11.396 11.979 -6.227 580 HD2 LYS 73 1HD LYS 73 9.832 11.642 -8.028 581 HD3 LYS 73 2HD LYS 73 11.416 12.029 -8.715 582 HE2 LYS 73 1HE LYS 73 11.810 9.617 -9.169 583 HE3 LYS 73 2HE LYS 73 10.255 9.215 -8.427 584 HZ1 LYS 73 3HZ LYS 73 9.162 10.514 -10.181 585 HZ2 LYS 73 1HZ LYS 73 10.078 9.341 -10.849 586 HZ3 LYS 73 2HZ LYS 73 10.600 10.887 -10.863 587 H TYR 74 H TYR 74 13.768 8.159 -4.933 588 HA TYR 74 HA TYR 74 16.731 7.955 -5.268 589 HB2 TYR 74 1HB TYR 74 14.995 7.173 -2.928 590 HB3 TYR 74 2HB TYR 74 16.397 6.187 -3.321 591 HD1 TYR 74 1HD TYR 74 15.371 9.708 -2.475 592 HD2 TYR 74 2HD TYR 74 18.601 6.877 -2.861 593 HE1 TYR 74 1HE TYR 74 16.995 11.480 -1.827 594 HE2 TYR 74 2HE TYR 74 20.233 8.654 -2.241 595 HH TYR 74 HH TYR 74 20.544 10.846 -1.827 596 H SER 75 H SER 75 17.529 5.844 -5.756 597 HA SER 75 HA SER 75 15.611 4.219 -7.380 598 HB2 SER 75 1HB SER 75 17.334 5.732 -8.549 599 HB3 SER 75 2HB SER 75 18.547 4.555 -8.019 600 HG SER 75 HG SER 75 17.341 2.945 -9.121 601 H ASP 76 H ASP 76 17.079 3.966 -4.566 602 HA ASP 76 HA ASP 76 16.805 1.118 -4.534 603 HB2 ASP 76 1HB ASP 76 19.326 1.524 -5.143 604 HB3 ASP 76 2HB ASP 76 19.493 2.101 -3.496 605 H VAL 77 H VAL 77 15.954 0.587 -2.525 606 HA VAL 77 HA VAL 77 15.283 2.660 -0.688 607 HB VAL 77 HB VAL 77 14.059 0.503 -0.982 608 HG11 VAL 77 1HG1 VAL 77 16.118 -0.701 0.912 609 HG12 VAL 77 2HG1 VAL 77 14.669 -1.474 0.252 610 HG13 VAL 77 3HG1 VAL 77 16.014 -1.062 -0.829 611 HG21 VAL 77 3HG2 VAL 77 14.805 1.195 1.888 612 HG22 VAL 77 1HG2 VAL 77 13.601 2.041 0.892 613 HG23 VAL 77 2HG2 VAL 77 13.340 0.349 1.347 614 H LYS 78 H LYS 78 18.082 0.430 -0.744 615 HA LYS 78 HA LYS 78 19.019 1.067 1.922 616 HB2 LYS 78 1HB LYS 78 20.544 0.087 -0.531 617 HB3 LYS 78 2HB LYS 78 21.195 0.180 1.108 618 HG2 LYS 78 1HG LYS 78 19.462 -1.406 1.913 619 HG3 LYS 78 2HG LYS 78 18.781 -1.499 0.287 620 HD2 LYS 78 1HD LYS 78 20.129 -3.446 0.650 621 HD3 LYS 78 2HD LYS 78 20.924 -2.433 -0.564 622 HE2 LYS 78 1HE LYS 78 22.477 -1.567 1.172 623 HE3 LYS 78 2HE LYS 78 21.644 -2.521 2.406 624 HZ1 LYS 78 3HZ LYS 78 23.097 -3.654 0.071 625 HZ2 LYS 78 1HZ LYS 78 22.334 -4.534 1.217 626 HZ3 LYS 78 2HZ LYS 78 23.644 -3.646 1.609 627 H ASN 79 H ASN 79 19.563 2.644 -1.232 628 HA ASN 79 HA ASN 79 21.425 4.562 -0.056 629 HB2 ASN 79 1HB ASN 79 20.025 4.397 -2.756 630 HB3 ASN 79 2HB ASN 79 21.044 5.759 -2.306 631 HD21 ASN 79 1HD2 ASN 79 21.499 3.841 -4.486 632 HD22 ASN 79 2HD2 ASN 79 23.072 3.146 -4.128 633 H LEU 80 H LEU 80 17.906 4.481 -0.447 634 HA LEU 80 HA LEU 80 17.481 7.221 0.297 635 HB2 LEU 80 1HB LEU 80 15.733 5.710 -0.663 636 HB3 LEU 80 2HB LEU 80 15.773 4.777 0.840 637 HG LEU 80 HG LEU 80 14.999 6.742 2.121 638 HD11 LEU 80 1HD1 LEU 80 14.631 8.044 -0.611 639 HD12 LEU 80 2HD1 LEU 80 15.810 8.558 0.619 640 HD13 LEU 80 3HD1 LEU 80 14.093 8.675 0.956 641 HD21 LEU 80 3HD2 LEU 80 13.402 5.080 1.274 642 HD22 LEU 80 1HD2 LEU 80 13.242 5.996 -0.242 643 HD23 LEU 80 2HD2 LEU 80 12.691 6.704 1.293 644 H ILE 81 H ILE 81 17.829 4.215 2.290 645 HA ILE 81 HA ILE 81 17.570 5.487 4.825 646 HB ILE 81 HB ILE 81 19.435 3.159 4.282 647 HG12 ILE 81 1HG1 ILE 81 17.504 2.423 3.275 648 HG13 ILE 81 2HG1 ILE 81 17.556 1.660 4.810 649 HG21 ILE 81 1HG2 ILE 81 19.645 4.106 6.501 650 HG22 ILE 81 2HG2 ILE 81 17.882 4.060 6.734 651 HG23 ILE 81 3HG2 ILE 81 18.815 2.549 6.612 652 HD11 ILE 81 3HD1 ILE 81 15.752 4.005 4.084 653 HD12 ILE 81 1HD1 ILE 81 15.266 2.322 4.342 654 HD13 ILE 81 2HD1 ILE 81 15.869 3.282 5.706 655 H LYS 82 H LYS 82 20.489 4.845 2.863 656 HA LYS 82 HA LYS 82 22.417 6.028 4.542 657 HB2 LYS 82 1HB LYS 82 22.769 4.597 2.520 658 HB3 LYS 82 2HB LYS 82 22.303 5.956 1.494 659 HG2 LYS 82 1HG LYS 82 24.261 7.249 2.385 660 HG3 LYS 82 2HG LYS 82 24.773 5.800 3.266 661 HD2 LYS 82 1HD LYS 82 24.352 5.984 0.243 662 HD3 LYS 82 2HD LYS 82 25.921 6.129 1.041 663 HE2 LYS 82 1HE LYS 82 25.871 3.856 1.810 664 HE3 LYS 82 2HE LYS 82 24.171 3.658 1.374 665 HZ1 LYS 82 3HZ LYS 82 25.696 2.665 -0.264 666 HZ2 LYS 82 1HZ LYS 82 26.305 4.138 -0.627 667 HZ3 LYS 82 2HZ LYS 82 24.724 3.788 -0.934 668 H HIS 83 H HIS 83 20.448 7.622 2.002 669 HA HIS 83 HA HIS 83 21.382 10.304 2.399 670 HB2 HIS 83 1HB HIS 83 20.147 9.778 0.448 671 HB3 HIS 83 2HB HIS 83 18.828 9.050 1.344 672 HD1 HIS 83 1HD HIS 83 20.233 12.582 0.668 673 HD2 HIS 83 2HD HIS 83 16.830 10.553 2.068 674 HE1 HIS 83 1HE HIS 83 18.428 14.351 0.890 675 H ILE 84 H ILE 84 18.645 8.592 4.023 676 HA ILE 84 HA ILE 84 17.938 10.845 5.666 677 HB ILE 84 HB ILE 84 17.504 7.862 5.912 678 HG12 ILE 84 1HG1 ILE 84 15.463 10.062 5.394 679 HG13 ILE 84 2HG1 ILE 84 16.385 9.337 4.085 680 HG21 ILE 84 1HG2 ILE 84 16.387 10.043 7.735 681 HG22 ILE 84 2HG2 ILE 84 15.830 8.358 7.704 682 HG23 ILE 84 3HG2 ILE 84 17.471 8.725 8.215 683 HD11 ILE 84 3HD1 ILE 84 14.498 7.847 5.931 684 HD12 ILE 84 1HD1 ILE 84 14.281 8.215 4.207 685 HD13 ILE 84 2HD1 ILE 84 15.560 7.089 4.722 686 H ARG 85 H ARG 85 20.178 8.140 6.264 687 HA ARG 85 HA ARG 85 21.104 8.997 8.852 688 HB2 ARG 85 1HB ARG 85 22.402 7.303 6.674 689 HB3 ARG 85 2HB ARG 85 23.114 7.558 8.267 690 HG2 ARG 85 1HG ARG 85 21.122 6.607 9.354 691 HG3 ARG 85 2HG ARG 85 20.363 6.337 7.788 692 HD2 ARG 85 1HD ARG 85 21.296 4.240 8.530 693 HD3 ARG 85 2HD ARG 85 22.196 4.813 7.132 694 HE ARG 85 HE ARG 85 24.108 5.056 8.429 695 HH11 ARG 85 2HH1 ARG 85 21.456 4.490 10.654 696 HH12 ARG 85 1HH1 ARG 85 22.529 4.287 12.012 697 HH21 ARG 85 2HH2 ARG 85 25.405 4.793 10.202 698 HH22 ARG 85 1HH2 ARG 85 24.702 4.454 11.755 699 H ASP 86 H ASP 86 21.945 10.236 5.726 700 HA ASP 86 HA ASP 86 24.308 11.701 6.789 701 HB2 ASP 86 1HB ASP 86 23.168 11.332 4.002 702 HB3 ASP 86 2HB ASP 86 24.469 12.456 4.369 703 H ALA 87 H ALA 87 21.118 12.492 5.369 704 HA ALA 87 HA ALA 87 21.626 15.387 5.793 705 HB1 ALA 87 1HB ALA 87 21.121 14.541 3.526 706 HB2 ALA 87 2HB ALA 87 19.557 13.923 4.107 707 HB3 ALA 87 3HB ALA 87 19.879 15.668 4.106 708 H HIS 88 H HIS 88 19.473 12.846 6.961 709 HA HIS 88 HA HIS 88 17.875 14.848 8.501 710 HB2 HIS 88 1HB HIS 88 16.901 12.235 7.325 711 HB3 HIS 88 2HB HIS 88 15.943 13.482 8.104 712 HD1 HIS 88 1HD HIS 88 16.536 16.053 6.523 713 HD2 HIS 88 2HD HIS 88 16.399 12.215 4.830 714 HE1 HIS 88 1HE HIS 88 16.049 16.405 4.050 715 H ASP 89 H ASP 89 20.281 13.365 9.307 716 HA ASP 89 HA ASP 89 19.893 11.051 10.653 717 HB2 ASP 89 1HB ASP 89 22.025 11.400 11.676 718 HB3 ASP 89 2HB ASP 89 22.042 12.029 10.033 719 HA PRO 90 HA PRO 90 17.959 12.120 14.585 720 HB2 PRO 90 1HB PRO 90 17.959 9.698 15.798 721 HB3 PRO 90 2HB PRO 90 16.959 10.035 14.350 722 HG2 PRO 90 1HG PRO 90 19.664 8.664 14.471 723 HG3 PRO 90 2HG PRO 90 18.194 8.139 13.591 724 HD2 PRO 90 1HD PRO 90 20.257 9.550 12.415 725 HD3 PRO 90 2HD PRO 90 18.558 9.696 11.872 726 H GLN 91 H GLN 91 18.561 12.653 16.661 727 HA GLN 91 HA GLN 91 21.299 11.980 17.640 728 HB2 GLN 91 1HB GLN 91 20.023 14.735 17.448 729 HB3 GLN 91 2HB GLN 91 21.462 14.403 18.405 730 HG2 GLN 91 1HG GLN 91 21.254 13.996 15.391 731 HG3 GLN 91 2HG GLN 91 21.997 15.367 16.191 732 HE21 GLN 91 1HE2 GLN 91 23.299 13.471 14.337 733 HE22 GLN 91 2HE2 GLN 91 24.635 12.791 15.276 734 H ASP 92 H ASP 92 18.438 11.130 18.333 735 HA ASP 92 HA ASP 92 18.761 11.210 21.270 736 HB2 ASP 92 1HB ASP 92 17.293 13.121 20.770 737 HB3 ASP 92 2HB ASP 92 16.215 12.080 19.848 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 28.761 -14.320 25.077 2 H2 GLY 1 2H GLY 1 27.846 -15.305 26.015 3 H3 GLY 1 3H GLY 1 28.579 -13.997 26.673 4 HA2 GLY 1 1HA GLY 1 27.220 -12.495 25.375 5 HA3 GLY 1 2HA GLY 1 26.440 -13.909 24.641 6 H SER 2 H SER 2 25.290 -11.683 26.258 7 HA SER 2 HA SER 2 24.506 -12.807 28.837 8 HB2 SER 2 1HB SER 2 23.193 -10.710 29.010 9 HB3 SER 2 2HB SER 2 24.903 -10.441 28.632 10 HG SER 2 HG SER 2 23.504 -9.173 27.310 11 H SER 3 H SER 3 23.284 -13.217 25.685 12 HA SER 3 HA SER 3 20.872 -14.595 26.689 13 HB2 SER 3 1HB SER 3 20.246 -12.203 26.118 14 HB3 SER 3 2HB SER 3 20.678 -12.565 24.436 15 HG SER 3 HG SER 3 18.446 -12.883 24.860 16 H GLY 4 H GLY 4 19.758 -15.633 24.659 17 HA2 GLY 4 1HA GLY 4 19.818 -17.080 22.858 18 HA3 GLY 4 2HA GLY 4 21.418 -16.468 22.445 19 H SER 5 H SER 5 22.791 -17.234 24.873 20 HA SER 5 HA SER 5 23.154 -20.104 24.559 21 HB2 SER 5 1HB SER 5 24.205 -18.218 26.702 22 HB3 SER 5 2HB SER 5 24.777 -19.866 26.379 23 HG SER 5 HG SER 5 26.107 -18.318 25.357 24 H SER 6 H SER 6 21.145 -18.153 26.627 25 HA SER 6 HA SER 6 20.687 -20.157 28.698 26 HB2 SER 6 1HB SER 6 19.205 -17.572 28.092 27 HB3 SER 6 2HB SER 6 19.092 -18.529 29.580 28 HG SER 6 HG SER 6 20.555 -16.785 29.816 29 H GLY 7 H GLY 7 18.472 -20.877 29.276 30 HA2 GLY 7 1HA GLY 7 17.027 -22.213 27.208 31 HA3 GLY 7 2HA GLY 7 16.452 -21.922 28.850 32 H LYS 8 H LYS 8 14.902 -21.856 26.422 33 HA LYS 8 HA LYS 8 13.561 -20.637 25.047 34 HB2 LYS 8 1HB LYS 8 13.226 -18.960 27.544 35 HB3 LYS 8 2HB LYS 8 12.204 -18.863 26.104 36 HG2 LYS 8 1HG LYS 8 11.570 -21.239 26.356 37 HG3 LYS 8 2HG LYS 8 12.566 -21.356 27.821 38 HD2 LYS 8 1HD LYS 8 11.183 -19.623 28.918 39 HD3 LYS 8 2HD LYS 8 10.192 -19.474 27.451 40 HE2 LYS 8 1HE LYS 8 9.556 -21.874 27.648 41 HE3 LYS 8 2HE LYS 8 10.529 -22.010 29.119 42 HZ1 LYS 8 3HZ LYS 8 9.067 -20.356 30.157 43 HZ2 LYS 8 1HZ LYS 8 8.186 -21.624 29.635 44 HZ3 LYS 8 2HZ LYS 8 8.171 -20.226 28.796 45 HA PRO 9 HA PRO 9 17.146 -17.722 24.131 46 HB2 PRO 9 1HB PRO 9 17.548 -18.655 21.517 47 HB3 PRO 9 2HB PRO 9 18.342 -19.253 22.984 48 HG2 PRO 9 1HG PRO 9 15.967 -20.436 21.596 49 HG3 PRO 9 2HG PRO 9 17.414 -21.268 22.238 50 HD2 PRO 9 1HD PRO 9 15.107 -21.167 23.638 51 HD3 PRO 9 2HD PRO 9 16.680 -21.012 24.468 52 H TYR 10 H TYR 10 14.246 -18.507 22.248 53 HA TYR 10 HA TYR 10 14.451 -16.077 20.637 54 HB2 TYR 10 1HB TYR 10 12.297 -18.201 20.827 55 HB3 TYR 10 2HB TYR 10 12.361 -16.896 19.643 56 HD1 TYR 10 1HD TYR 10 13.879 -20.075 20.747 57 HD2 TYR 10 2HD TYR 10 14.047 -16.909 17.831 58 HE1 TYR 10 1HE TYR 10 15.269 -21.511 19.296 59 HE2 TYR 10 2HE TYR 10 15.482 -18.345 16.369 60 HH TYR 10 HH TYR 10 16.409 -21.682 17.298 61 H LYS 11 H LYS 11 14.121 -14.243 21.737 62 HA LYS 11 HA LYS 11 11.890 -13.949 23.716 63 HB2 LYS 11 1HB LYS 11 14.356 -12.251 23.158 64 HB3 LYS 11 2HB LYS 11 13.012 -11.706 24.144 65 HG2 LYS 11 1HG LYS 11 14.647 -12.423 25.641 66 HG3 LYS 11 2HG LYS 11 13.359 -13.624 25.700 67 HD2 LYS 11 1HD LYS 11 14.709 -15.194 24.395 68 HD3 LYS 11 2HD LYS 11 15.912 -13.937 24.067 69 HE2 LYS 11 1HE LYS 11 16.864 -15.297 25.736 70 HE3 LYS 11 2HE LYS 11 16.374 -13.810 26.546 71 HZ1 LYS 11 3HZ LYS 11 15.742 -15.816 27.800 72 HZ2 LYS 11 1HZ LYS 11 14.839 -16.359 26.548 73 HZ3 LYS 11 2HZ LYS 11 14.398 -14.997 27.362 74 H CYS 12 H CYS 12 10.370 -12.301 23.594 75 HA CYS 12 HA CYS 12 9.656 -11.321 20.958 76 HB2 CYS 12 1HB CYS 12 7.997 -12.078 22.510 77 HB3 CYS 12 2HB CYS 12 8.519 -10.896 23.722 78 HA PRO 13 HA PRO 13 11.926 -7.440 21.524 79 HB2 PRO 13 1HB PRO 13 11.167 -6.142 19.257 80 HB3 PRO 13 2HB PRO 13 12.234 -7.580 19.219 81 HG2 PRO 13 1HG PRO 13 9.250 -7.446 18.726 82 HG3 PRO 13 2HG PRO 13 10.494 -8.303 17.768 83 HD2 PRO 13 1HD PRO 13 8.938 -9.509 19.726 84 HD3 PRO 13 2HD PRO 13 10.578 -10.072 19.297 85 H GLN 14 H GLN 14 8.512 -7.879 21.684 86 HA GLN 14 HA GLN 14 8.013 -4.996 22.311 87 HB2 GLN 14 1HB GLN 14 6.000 -7.099 21.458 88 HB3 GLN 14 2HB GLN 14 5.734 -5.376 21.689 89 HG2 GLN 14 1HG GLN 14 7.747 -5.235 19.889 90 HG3 GLN 14 2HG GLN 14 7.160 -6.843 19.484 91 HE21 GLN 14 1HE2 GLN 14 6.525 -6.092 17.346 92 HE22 GLN 14 2HE2 GLN 14 5.117 -5.057 17.162 93 H CYS 15 H CYS 15 7.750 -8.262 23.699 94 HA CYS 15 HA CYS 15 7.085 -6.972 26.287 95 HB2 CYS 15 1HB CYS 15 5.201 -8.364 26.741 96 HB3 CYS 15 2HB CYS 15 4.925 -7.531 25.220 97 H SER 16 H SER 16 6.851 -8.897 27.994 98 HA SER 16 HA SER 16 9.525 -9.882 28.333 99 HB2 SER 16 1HB SER 16 7.030 -10.535 29.940 100 HB3 SER 16 2HB SER 16 8.713 -10.746 30.462 101 HG SER 16 HG SER 16 7.798 -8.797 31.263 102 H TYR 17 H TYR 17 7.231 -11.241 26.376 103 HA TYR 17 HA TYR 17 7.205 -13.999 27.048 104 HB2 TYR 17 1HB TYR 17 5.620 -12.957 25.539 105 HB3 TYR 17 2HB TYR 17 6.890 -12.532 24.410 106 HD1 TYR 17 1HD TYR 17 4.911 -15.313 25.898 107 HD2 TYR 17 2HD TYR 17 7.744 -14.237 22.823 108 HE1 TYR 17 1HE TYR 17 4.463 -17.465 24.717 109 HE2 TYR 17 2HE TYR 17 7.273 -16.373 21.641 110 HH TYR 17 HH TYR 17 5.863 -18.182 21.519 111 H ALA 18 H ALA 18 8.303 -15.763 26.337 112 HA ALA 18 HA ALA 18 10.368 -15.586 24.333 113 HB1 ALA 18 1HB ALA 18 11.616 -14.981 26.430 114 HB2 ALA 18 2HB ALA 18 11.159 -16.552 27.119 115 HB3 ALA 18 3HB ALA 18 12.196 -16.476 25.674 116 H SER 19 H SER 19 11.040 -17.665 23.531 117 HA SER 19 HA SER 19 9.809 -20.097 24.659 118 HB2 SER 19 1HB SER 19 8.187 -19.106 22.949 119 HB3 SER 19 2HB SER 19 9.404 -19.485 21.716 120 HG SER 19 HG SER 19 8.022 -21.244 23.489 121 H ALA 20 H ALA 20 10.582 -22.080 23.527 122 HA ALA 20 HA ALA 20 13.454 -21.937 22.935 123 HB1 ALA 20 1HB ALA 20 11.600 -24.312 23.314 124 HB2 ALA 20 2HB ALA 20 13.375 -24.362 23.228 125 HB3 ALA 20 3HB ALA 20 12.582 -23.544 24.586 126 H ILE 21 H ILE 21 10.809 -21.585 20.992 127 HA ILE 21 HA ILE 21 12.093 -22.873 18.611 128 HB ILE 21 HB ILE 21 9.166 -22.938 19.422 129 HG12 ILE 21 1HG1 ILE 21 11.255 -25.163 19.325 130 HG13 ILE 21 2HG1 ILE 21 10.482 -24.511 20.770 131 HG21 ILE 21 1HG2 ILE 21 10.502 -24.186 16.986 132 HG22 ILE 21 2HG2 ILE 21 8.787 -24.335 17.442 133 HG23 ILE 21 3HG2 ILE 21 9.412 -22.780 16.984 134 HD11 ILE 21 3HD1 ILE 21 8.271 -25.362 19.925 135 HD12 ILE 21 1HD1 ILE 21 9.166 -26.215 18.641 136 HD13 ILE 21 2HD1 ILE 21 9.470 -26.604 20.337 137 H LYS 22 H LYS 22 12.194 -21.616 16.818 138 HA LYS 22 HA LYS 22 11.541 -18.842 16.864 139 HB2 LYS 22 1HB LYS 22 13.325 -19.847 15.486 140 HB3 LYS 22 2HB LYS 22 12.133 -20.689 14.508 141 HG2 LYS 22 1HG LYS 22 13.072 -18.699 13.399 142 HG3 LYS 22 2HG LYS 22 11.317 -18.607 13.571 143 HD2 LYS 22 1HD LYS 22 11.496 -16.982 15.366 144 HD3 LYS 22 2HD LYS 22 13.232 -17.264 15.519 145 HE2 LYS 22 1HE LYS 22 12.772 -15.137 14.421 146 HE3 LYS 22 2HE LYS 22 13.677 -16.229 13.373 147 HZ1 LYS 22 3HZ LYS 22 10.723 -15.889 13.187 148 HZ2 LYS 22 1HZ LYS 22 11.689 -16.669 12.128 149 HZ3 LYS 22 2HZ LYS 22 11.791 -15.050 12.267 150 H ALA 23 H ALA 23 9.737 -21.559 15.396 151 HA ALA 23 HA ALA 23 7.627 -20.049 14.258 152 HB1 ALA 23 1HB ALA 23 7.533 -22.852 15.455 153 HB2 ALA 23 2HB ALA 23 6.383 -22.156 14.298 154 HB3 ALA 23 3HB ALA 23 8.062 -22.439 13.805 155 H ASN 24 H ASN 24 8.051 -21.104 17.656 156 HA ASN 24 HA ASN 24 5.418 -20.200 18.506 157 HB2 ASN 24 1HB ASN 24 7.995 -20.833 20.023 158 HB3 ASN 24 2HB ASN 24 6.495 -20.386 20.802 159 HD21 ASN 24 1HD2 ASN 24 7.465 -22.577 21.680 160 HD22 ASN 24 2HD2 ASN 24 6.577 -23.980 21.068 161 H LEU 25 H LEU 25 8.537 -18.565 18.088 162 HA LEU 25 HA LEU 25 7.561 -16.115 19.362 163 HB2 LEU 25 1HB LEU 25 9.942 -16.578 19.350 164 HB3 LEU 25 2HB LEU 25 9.965 -16.637 17.585 165 HG LEU 25 HG LEU 25 9.348 -14.251 17.465 166 HD11 LEU 25 1HD1 LEU 25 9.410 -12.837 19.476 167 HD12 LEU 25 2HD1 LEU 25 9.530 -14.277 20.514 168 HD13 LEU 25 3HD1 LEU 25 8.063 -13.962 19.558 169 HD21 LEU 25 3HD2 LEU 25 11.448 -13.325 18.237 170 HD22 LEU 25 1HD2 LEU 25 11.734 -14.939 17.564 171 HD23 LEU 25 2HD2 LEU 25 11.704 -14.695 19.329 172 H ASN 26 H ASN 26 7.915 -17.247 15.940 173 HA ASN 26 HA ASN 26 6.850 -14.996 14.631 174 HB2 ASN 26 1HB ASN 26 6.222 -17.925 14.008 175 HB3 ASN 26 2HB ASN 26 6.008 -16.579 12.908 176 HD21 ASN 26 1HD2 ASN 26 7.321 -18.827 12.259 177 HD22 ASN 26 2HD2 ASN 26 9.015 -18.434 11.954 178 H VAL 27 H VAL 27 5.023 -17.773 16.001 179 HA VAL 27 HA VAL 27 2.474 -16.806 15.254 180 HB VAL 27 HB VAL 27 3.351 -19.149 16.121 181 HG11 VAL 27 1HG1 VAL 27 2.507 -19.874 18.216 182 HG12 VAL 27 2HG1 VAL 27 3.656 -18.563 18.474 183 HG13 VAL 27 3HG1 VAL 27 1.909 -18.251 18.616 184 HG21 VAL 27 3HG2 VAL 27 1.285 -18.702 14.947 185 HG22 VAL 27 1HG2 VAL 27 0.973 -19.804 16.302 186 HG23 VAL 27 2HG2 VAL 27 0.545 -18.074 16.451 187 H HIS 28 H HIS 28 4.345 -16.301 18.132 188 HA HIS 28 HA HIS 28 2.360 -15.020 19.698 189 HB2 HIS 28 1HB HIS 28 4.345 -16.011 20.645 190 HB3 HIS 28 2HB HIS 28 5.402 -14.952 19.730 191 HD1 HIS 28 1HD HIS 28 3.016 -14.662 22.740 192 HD2 HIS 28 2HD HIS 28 5.849 -12.490 20.523 193 HE1 HIS 28 1HE HIS 28 3.315 -12.461 23.967 194 H LEU 29 H LEU 29 4.772 -13.706 17.413 195 HA LEU 29 HA LEU 29 4.355 -10.934 17.975 196 HB2 LEU 29 1HB LEU 29 5.290 -12.350 15.466 197 HB3 LEU 29 2HB LEU 29 5.370 -10.608 15.677 198 HG LEU 29 HG LEU 29 6.781 -12.529 17.557 199 HD11 LEU 29 1HD1 LEU 29 7.633 -12.856 15.259 200 HD12 LEU 29 2HD1 LEU 29 8.833 -12.048 16.275 201 HD13 LEU 29 3HD1 LEU 29 7.888 -11.104 15.101 202 HD21 LEU 29 3HD2 LEU 29 7.154 -9.568 17.008 203 HD22 LEU 29 1HD2 LEU 29 8.196 -10.587 18.022 204 HD23 LEU 29 2HD2 LEU 29 6.522 -10.313 18.502 205 H ARG 30 H ARG 30 2.497 -13.154 15.991 206 HA ARG 30 HA ARG 30 0.968 -11.397 14.401 207 HB2 ARG 30 1HB ARG 30 0.012 -13.925 15.814 208 HB3 ARG 30 2HB ARG 30 -0.810 -13.137 14.481 209 HG2 ARG 30 1HG ARG 30 1.133 -13.566 12.991 210 HG3 ARG 30 2HG ARG 30 1.968 -14.358 14.332 211 HD2 ARG 30 1HD ARG 30 1.013 -16.074 12.956 212 HD3 ARG 30 2HD ARG 30 0.138 -16.026 14.497 213 HE ARG 30 HE ARG 30 -1.124 -14.393 12.443 214 HH11 ARG 30 2HH1 ARG 30 -0.910 -17.729 13.500 215 HH12 ARG 30 1HH1 ARG 30 -2.455 -18.138 12.806 216 HH21 ARG 30 2HH2 ARG 30 -3.088 -14.986 11.593 217 HH22 ARG 30 1HH2 ARG 30 -3.644 -16.625 11.752 218 H LYS 31 H LYS 31 0.782 -11.807 17.837 219 HA LYS 31 HA LYS 31 -1.855 -10.547 18.113 220 HB2 LYS 31 1HB LYS 31 0.199 -11.115 20.297 221 HB3 LYS 31 2HB LYS 31 -1.542 -10.877 20.504 222 HG2 LYS 31 1HG LYS 31 -1.955 -12.998 19.237 223 HG3 LYS 31 2HG LYS 31 -0.205 -13.211 19.069 224 HD2 LYS 31 1HD LYS 31 -0.145 -13.054 21.685 225 HD3 LYS 31 2HD LYS 31 -1.890 -13.412 21.568 226 HE2 LYS 31 1HE LYS 31 -1.257 -15.343 20.030 227 HE3 LYS 31 2HE LYS 31 0.436 -14.973 20.370 228 HZ1 LYS 31 3HZ LYS 31 -1.601 -15.802 22.393 229 HZ2 LYS 31 1HZ LYS 31 -0.050 -15.443 22.753 230 HZ3 LYS 31 2HZ LYS 31 -0.400 -16.752 21.838 231 H HIS 32 H HIS 32 1.428 -9.515 18.173 232 HA HIS 32 HA HIS 32 0.802 -6.789 19.118 233 HB2 HIS 32 1HB HIS 32 3.363 -7.948 17.961 234 HB3 HIS 32 2HB HIS 32 3.166 -6.352 18.673 235 HD1 HIS 32 1HD HIS 32 1.937 -6.730 21.397 236 HD2 HIS 32 2HD HIS 32 4.601 -9.473 19.658 237 HE1 HIS 32 1HE HIS 32 2.913 -8.047 23.327 238 H THR 33 H THR 33 0.475 -8.399 16.131 239 HA THR 33 HA THR 33 0.518 -5.861 14.557 240 HB THR 33 HB THR 33 0.683 -7.180 12.586 241 HG1 THR 33 1HG THR 33 0.776 -9.420 12.670 242 HG21 THR 33 3HG2 THR 33 2.830 -8.238 12.871 243 HG22 THR 33 1HG2 THR 33 2.572 -8.380 14.622 244 HG23 THR 33 2HG2 THR 33 2.774 -6.775 13.882 245 H GLY 34 H GLY 34 -1.310 -7.301 12.542 246 HA2 GLY 34 1HA GLY 34 -3.542 -8.009 12.434 247 HA3 GLY 34 2HA GLY 34 -3.853 -7.382 14.045 248 H GLU 35 H GLU 35 -2.260 -5.334 11.672 249 HA GLU 35 HA GLU 35 -4.776 -3.846 11.075 250 HB2 GLU 35 1HB GLU 35 -3.328 -2.554 12.570 251 HB3 GLU 35 2HB GLU 35 -1.964 -2.798 11.483 252 HG2 GLU 35 1HG GLU 35 -2.826 -0.579 11.218 253 HG3 GLU 35 2HG GLU 35 -3.095 -1.466 9.730 254 H LYS 36 H LYS 36 -5.116 -3.215 8.945 255 HA LYS 36 HA LYS 36 -3.634 -4.866 6.971 256 HB2 LYS 36 1HB LYS 36 -6.163 -3.218 6.702 257 HB3 LYS 36 2HB LYS 36 -5.308 -3.986 5.350 258 HG2 LYS 36 1HG LYS 36 -5.445 -6.185 6.629 259 HG3 LYS 36 2HG LYS 36 -6.566 -5.387 7.745 260 HD2 LYS 36 1HD LYS 36 -8.122 -4.924 5.908 261 HD3 LYS 36 2HD LYS 36 -6.950 -5.547 4.720 262 HE2 LYS 36 1HE LYS 36 -7.051 -7.781 5.726 263 HE3 LYS 36 2HE LYS 36 -8.165 -7.200 6.976 264 HZ1 LYS 36 3HZ LYS 36 -8.757 -7.256 4.061 265 HZ2 LYS 36 1HZ LYS 36 -9.783 -6.720 5.215 266 HZ3 LYS 36 2HZ LYS 36 -9.360 -8.294 5.165 267 H PHE 37 H PHE 37 -1.847 -4.255 6.402 268 HA PHE 37 HA PHE 37 -1.371 -1.476 5.412 269 HB2 PHE 37 1HB PHE 37 0.682 -3.670 5.780 270 HB3 PHE 37 2HB PHE 37 0.950 -1.946 5.499 271 HD1 PHE 37 2HD PHE 37 0.528 -0.285 7.334 272 HD2 PHE 37 1HD PHE 37 0.246 -4.538 7.962 273 HE1 PHE 37 2HE PHE 37 0.580 0.071 9.783 274 HE2 PHE 37 1HE PHE 37 0.318 -4.191 10.398 275 HZ PHE 37 HZ PHE 37 0.406 -1.882 11.336 276 H ALA 38 H ALA 38 -1.635 -1.154 3.330 277 HA ALA 38 HA ALA 38 -1.606 -3.355 1.357 278 HB1 ALA 38 1HB ALA 38 -2.512 -1.688 -0.179 279 HB2 ALA 38 2HB ALA 38 -3.446 -1.678 1.332 280 HB3 ALA 38 3HB ALA 38 -2.250 -0.400 1.012 281 H CYS 39 H CYS 39 -0.245 -3.526 -0.431 282 HA CYS 39 HA CYS 39 2.413 -2.415 -0.232 283 HB2 CYS 39 1HB CYS 39 1.902 -4.599 -1.077 284 HB3 CYS 39 2HB CYS 39 0.877 -3.946 -2.347 285 H ASP 40 H ASP 40 3.396 -0.863 -1.362 286 HA ASP 40 HA ASP 40 1.733 1.299 -2.474 287 HB2 ASP 40 1HB ASP 40 3.640 1.670 -0.866 288 HB3 ASP 40 2HB ASP 40 4.749 1.153 -2.134 289 H TYR 41 H TYR 41 3.013 -1.519 -3.715 290 HA TYR 41 HA TYR 41 3.614 -0.358 -6.420 291 HB2 TYR 41 1HB TYR 41 4.802 -2.786 -5.042 292 HB3 TYR 41 2HB TYR 41 5.164 -2.230 -6.656 293 HD1 TYR 41 2HD TYR 41 5.514 -1.634 -3.052 294 HD2 TYR 41 1HD TYR 41 6.631 -0.237 -6.969 295 HE1 TYR 41 2HE TYR 41 7.320 -0.219 -2.036 296 HE2 TYR 41 1HE TYR 41 8.431 1.168 -5.963 297 HH TYR 41 HH TYR 41 9.476 1.828 -4.033 298 H CYS 42 H CYS 42 1.840 -2.858 -4.692 299 HA CYS 42 HA CYS 42 0.265 -3.298 -7.151 300 HB2 CYS 42 1HB CYS 42 0.230 -5.719 -6.958 301 HB3 CYS 42 2HB CYS 42 1.875 -5.129 -7.229 302 H SER 43 H SER 43 -1.630 -4.914 -6.544 303 HA SER 43 HA SER 43 -3.272 -3.599 -4.566 304 HB2 SER 43 1HB SER 43 -3.796 -6.164 -6.110 305 HB3 SER 43 2HB SER 43 -5.000 -5.162 -5.277 306 HG SER 43 HG SER 43 -4.921 -4.722 -7.530 307 H PHE 44 H PHE 44 -0.822 -5.679 -3.881 308 HA PHE 44 HA PHE 44 -1.954 -7.677 -2.238 309 HB2 PHE 44 1HB PHE 44 0.292 -7.738 -3.027 310 HB3 PHE 44 2HB PHE 44 0.734 -6.297 -2.141 311 HD1 PHE 44 2HD PHE 44 -0.123 -9.909 -1.814 312 HD2 PHE 44 1HD PHE 44 1.387 -6.398 0.174 313 HE1 PHE 44 2HE PHE 44 0.679 -11.315 0.073 314 HE2 PHE 44 1HE PHE 44 2.204 -7.806 2.050 315 HZ PHE 44 HZ PHE 44 1.849 -10.264 2.002 316 H THR 45 H THR 45 -2.173 -7.881 -0.043 317 HA THR 45 HA THR 45 -1.812 -5.586 1.760 318 HB THR 45 HB THR 45 -4.019 -6.008 2.831 319 HG1 THR 45 1HG THR 45 -4.513 -8.016 1.817 320 HG21 THR 45 3HG2 THR 45 -5.338 -4.686 1.249 321 HG22 THR 45 1HG2 THR 45 -4.121 -4.983 -0.019 322 HG23 THR 45 2HG2 THR 45 -3.688 -4.078 1.453 323 H CYS 46 H CYS 46 -1.562 -6.098 3.900 324 HA CYS 46 HA CYS 46 -1.750 -8.926 4.752 325 HB2 CYS 46 1HB CYS 46 0.547 -8.583 3.739 326 HB3 CYS 46 2HB CYS 46 0.883 -7.406 5.022 327 HG CYS 46 HG CYS 46 -0.082 -10.589 5.316 328 H LEU 47 H LEU 47 -1.762 -9.246 6.984 329 HA LEU 47 HA LEU 47 -2.692 -7.019 8.624 330 HB2 LEU 47 1HB LEU 47 -2.397 -10.006 9.045 331 HB3 LEU 47 2HB LEU 47 -2.798 -8.936 10.365 332 HG LEU 47 HG LEU 47 -4.766 -10.019 9.506 333 HD11 LEU 47 1HD1 LEU 47 -4.847 -7.039 8.895 334 HD12 LEU 47 2HD1 LEU 47 -5.016 -7.789 10.495 335 HD13 LEU 47 3HD1 LEU 47 -6.231 -8.090 9.249 336 HD21 LEU 47 3HD2 LEU 47 -5.753 -9.608 7.362 337 HD22 LEU 47 1HD2 LEU 47 -4.119 -10.237 7.110 338 HD23 LEU 47 2HD2 LEU 47 -4.454 -8.498 6.895 339 H SER 48 H SER 48 0.363 -7.962 7.801 340 HA SER 48 HA SER 48 1.569 -6.730 10.238 341 HB2 SER 48 1HB SER 48 1.973 -9.105 10.457 342 HB3 SER 48 2HB SER 48 2.549 -9.210 8.780 343 HG SER 48 HG SER 48 4.215 -9.012 10.472 344 H LYS 49 H LYS 49 2.659 -5.053 9.822 345 HA LYS 49 HA LYS 49 3.516 -4.131 7.244 346 HB2 LYS 49 1HB LYS 49 4.975 -2.606 8.723 347 HB3 LYS 49 2HB LYS 49 3.221 -2.404 8.702 348 HG2 LYS 49 1HG LYS 49 3.067 -3.582 10.881 349 HG3 LYS 49 2HG LYS 49 4.829 -3.803 10.887 350 HD2 LYS 49 1HD LYS 49 5.173 -1.387 10.961 351 HD3 LYS 49 2HD LYS 49 3.434 -1.089 10.738 352 HE2 LYS 49 1HE LYS 49 2.937 -2.217 12.868 353 HE3 LYS 49 2HE LYS 49 4.657 -2.562 13.111 354 HZ1 LYS 49 3HZ LYS 49 3.472 0.164 12.964 355 HZ2 LYS 49 1HZ LYS 49 5.059 -0.156 13.190 356 HZ3 LYS 49 2HZ LYS 49 3.971 -0.573 14.332 357 H GLY 50 H GLY 50 5.060 -6.138 9.680 358 HA2 GLY 50 1HA GLY 50 7.773 -5.929 8.688 359 HA3 GLY 50 2HA GLY 50 7.103 -7.152 9.771 360 H HIS 51 H HIS 51 5.053 -8.216 8.031 361 HA HIS 51 HA HIS 51 6.615 -9.747 6.095 362 HB2 HIS 51 1HB HIS 51 4.691 -10.723 7.285 363 HB3 HIS 51 2HB HIS 51 3.619 -9.558 6.494 364 HD1 HIS 51 1HD HIS 51 2.273 -11.062 4.855 365 HD2 HIS 51 2HD HIS 51 6.417 -11.741 4.790 366 HE1 HIS 51 1HE HIS 51 2.697 -12.689 2.933 367 H LEU 52 H LEU 52 4.351 -6.952 5.860 368 HA LEU 52 HA LEU 52 4.328 -6.790 3.039 369 HB2 LEU 52 1HB LEU 52 2.811 -5.519 4.502 370 HB3 LEU 52 2HB LEU 52 4.175 -4.582 5.124 371 HG LEU 52 HG LEU 52 4.576 -3.625 2.866 372 HD11 LEU 52 1HD1 LEU 52 3.652 -5.441 1.454 373 HD12 LEU 52 2HD1 LEU 52 2.858 -3.915 1.125 374 HD13 LEU 52 3HD1 LEU 52 2.025 -5.127 2.117 375 HD21 LEU 52 3HD2 LEU 52 2.707 -2.130 2.859 376 HD22 LEU 52 1HD2 LEU 52 3.061 -2.536 4.548 377 HD23 LEU 52 2HD2 LEU 52 1.693 -3.309 3.710 378 H LYS 53 H LYS 53 6.739 -5.466 5.352 379 HA LYS 53 HA LYS 53 8.446 -4.182 3.448 380 HB2 LYS 53 1HB LYS 53 8.787 -3.802 5.763 381 HB3 LYS 53 2HB LYS 53 8.935 -5.520 6.132 382 HG2 LYS 53 1HG LYS 53 11.057 -5.694 4.991 383 HG3 LYS 53 2HG LYS 53 10.951 -4.043 4.390 384 HD2 LYS 53 1HD LYS 53 11.056 -4.874 7.327 385 HD3 LYS 53 2HD LYS 53 12.468 -4.379 6.398 386 HE2 LYS 53 1HE LYS 53 10.047 -2.605 6.981 387 HE3 LYS 53 2HE LYS 53 11.547 -2.606 7.905 388 HZ1 LYS 53 3HZ LYS 53 11.339 -1.888 5.028 389 HZ2 LYS 53 1HZ LYS 53 12.733 -1.929 5.886 390 HZ3 LYS 53 2HZ LYS 53 11.574 -0.847 6.258 391 H VAL 54 H VAL 54 8.490 -7.591 4.580 392 HA VAL 54 HA VAL 54 10.605 -8.411 2.847 393 HB VAL 54 HB VAL 54 8.350 -10.040 4.090 394 HG11 VAL 54 1HG1 VAL 54 9.836 -12.006 3.720 395 HG12 VAL 54 2HG1 VAL 54 9.248 -11.308 2.210 396 HG13 VAL 54 3HG1 VAL 54 10.912 -10.986 2.733 397 HG21 VAL 54 3HG2 VAL 54 11.274 -9.670 4.855 398 HG22 VAL 54 1HG2 VAL 54 9.894 -8.939 5.697 399 HG23 VAL 54 2HG2 VAL 54 10.086 -10.696 5.697 400 H HIS 55 H HIS 55 7.059 -8.371 2.295 401 HA HIS 55 HA HIS 55 7.062 -9.543 -0.272 402 HB2 HIS 55 1HB HIS 55 4.977 -9.192 0.861 403 HB3 HIS 55 2HB HIS 55 5.279 -7.472 1.042 404 HD1 HIS 55 1HD HIS 55 4.160 -9.970 -1.639 405 HD2 HIS 55 2HD HIS 55 4.600 -5.841 -0.974 406 HE1 HIS 55 1HE HIS 55 3.086 -8.827 -3.631 407 H ILE 56 H ILE 56 7.564 -6.072 0.576 408 HA ILE 56 HA ILE 56 7.927 -5.312 -2.208 409 HB ILE 56 HB ILE 56 8.643 -3.918 0.380 410 HG12 ILE 56 1HG1 ILE 56 6.347 -3.330 -1.542 411 HG13 ILE 56 2HG1 ILE 56 6.164 -4.385 -0.151 412 HG21 ILE 56 1HG2 ILE 56 8.902 -1.876 -1.009 413 HG22 ILE 56 2HG2 ILE 56 10.044 -3.113 -1.527 414 HG23 ILE 56 3HG2 ILE 56 8.572 -2.825 -2.474 415 HD11 ILE 56 3HD1 ILE 56 5.344 -2.206 0.419 416 HD12 ILE 56 1HD1 ILE 56 6.788 -2.571 1.382 417 HD13 ILE 56 2HD1 ILE 56 6.893 -1.447 0.003 418 H GLU 57 H GLU 57 10.209 -6.209 0.377 419 HA GLU 57 HA GLU 57 12.627 -5.739 -1.124 420 HB2 GLU 57 1HB GLU 57 11.947 -7.500 1.257 421 HB3 GLU 57 2HB GLU 57 13.590 -7.295 0.674 422 HG2 GLU 57 1HG GLU 57 11.934 -4.858 1.417 423 HG3 GLU 57 2HG GLU 57 12.702 -5.860 2.635 424 H ARG 58 H ARG 58 10.368 -8.293 -1.290 425 HA ARG 58 HA ARG 58 12.288 -9.998 -2.866 426 HB2 ARG 58 1HB ARG 58 11.140 -11.905 -2.342 427 HB3 ARG 58 2HB ARG 58 11.051 -10.943 -0.880 428 HG2 ARG 58 1HG ARG 58 8.722 -10.229 -1.627 429 HG3 ARG 58 2HG ARG 58 8.846 -11.482 -2.879 430 HD2 ARG 58 1HD ARG 58 9.203 -13.178 -1.087 431 HD3 ARG 58 2HD ARG 58 9.046 -11.890 0.119 432 HE ARG 58 HE ARG 58 6.826 -12.453 -1.811 433 HH11 ARG 58 2HH1 ARG 58 7.823 -12.539 1.555 434 HH12 ARG 58 1HH1 ARG 58 6.166 -12.586 2.121 435 HH21 ARG 58 2HH2 ARG 58 4.765 -12.709 -0.980 436 HH22 ARG 58 1HH2 ARG 58 4.542 -12.724 0.747 437 H VAL 59 H VAL 59 9.061 -8.515 -3.203 438 HA VAL 59 HA VAL 59 8.930 -9.572 -5.920 439 HB VAL 59 HB VAL 59 6.858 -7.863 -4.499 440 HG11 VAL 59 1HG1 VAL 59 5.309 -8.779 -6.190 441 HG12 VAL 59 2HG1 VAL 59 6.594 -7.854 -6.962 442 HG13 VAL 59 3HG1 VAL 59 6.656 -9.630 -6.978 443 HG21 VAL 59 3HG2 VAL 59 7.105 -10.892 -4.766 444 HG22 VAL 59 1HG2 VAL 59 7.071 -9.935 -3.263 445 HG23 VAL 59 2HG2 VAL 59 5.626 -10.048 -4.255 446 H HIS 60 H HIS 60 9.003 -6.341 -4.362 447 HA HIS 60 HA HIS 60 9.229 -5.049 -7.014 448 HB2 HIS 60 1HB HIS 60 8.419 -3.824 -4.395 449 HB3 HIS 60 2HB HIS 60 8.256 -3.111 -5.999 450 HD1 HIS 60 1HD HIS 60 6.511 -4.729 -7.681 451 HD2 HIS 60 2HD HIS 60 6.320 -4.976 -3.492 452 HE1 HIS 60 1HE HIS 60 4.232 -5.724 -7.148 453 H LYS 61 H LYS 61 11.473 -6.122 -5.241 454 HA LYS 61 HA LYS 61 13.188 -3.904 -4.566 455 HB2 LYS 61 1HB LYS 61 13.294 -6.081 -3.554 456 HB3 LYS 61 2HB LYS 61 13.750 -6.860 -5.052 457 HG2 LYS 61 1HG LYS 61 15.420 -4.744 -3.606 458 HG3 LYS 61 2HG LYS 61 15.556 -6.468 -3.307 459 HD2 LYS 61 1HD LYS 61 16.325 -5.008 -5.849 460 HD3 LYS 61 2HD LYS 61 17.362 -5.844 -4.699 461 HE2 LYS 61 1HE LYS 61 16.147 -7.997 -5.291 462 HE3 LYS 61 2HE LYS 61 15.307 -7.100 -6.568 463 HZ1 LYS 61 3HZ LYS 61 17.470 -6.637 -7.582 464 HZ2 LYS 61 1HZ LYS 61 17.277 -8.245 -7.414 465 HZ3 LYS 61 2HZ LYS 61 18.256 -7.442 -6.391 466 H LYS 62 H LYS 62 14.283 -2.613 -5.812 467 HA LYS 62 HA LYS 62 14.871 -1.466 -7.682 468 HB2 LYS 62 1HB LYS 62 16.308 -4.078 -8.244 469 HB3 LYS 62 2HB LYS 62 16.531 -2.603 -9.198 470 HG2 LYS 62 1HG LYS 62 17.181 -1.351 -7.176 471 HG3 LYS 62 2HG LYS 62 17.061 -2.829 -6.205 472 HD2 LYS 62 1HD LYS 62 18.789 -3.906 -7.624 473 HD3 LYS 62 2HD LYS 62 18.910 -2.447 -8.610 474 HE2 LYS 62 1HE LYS 62 19.593 -2.667 -5.641 475 HE3 LYS 62 2HE LYS 62 20.746 -2.635 -6.980 476 HZ1 LYS 62 3HZ LYS 62 20.610 -0.432 -6.148 477 HZ2 LYS 62 1HZ LYS 62 18.977 -0.415 -6.140 478 HZ3 LYS 62 2HZ LYS 62 19.770 -0.401 -7.563 479 H ILE 63 H ILE 63 12.398 -1.873 -7.886 480 HA ILE 63 HA ILE 63 11.427 -2.937 -10.361 481 HB ILE 63 HB ILE 63 10.031 -2.349 -8.411 482 HG12 ILE 63 1HG1 ILE 63 9.183 -0.981 -10.994 483 HG13 ILE 63 2HG1 ILE 63 9.060 -2.707 -10.639 484 HG21 ILE 63 1HG2 ILE 63 11.152 -0.154 -7.869 485 HG22 ILE 63 2HG2 ILE 63 10.323 0.560 -9.269 486 HG23 ILE 63 3HG2 ILE 63 9.394 -0.079 -7.897 487 HD11 ILE 63 3HD1 ILE 63 7.541 -2.127 -8.704 488 HD12 ILE 63 1HD1 ILE 63 7.572 -0.435 -9.272 489 HD13 ILE 63 2HD1 ILE 63 6.902 -1.703 -10.308 490 H LYS 64 H LYS 64 11.003 -1.934 -12.357 491 HA LYS 64 HA LYS 64 12.940 0.022 -13.276 492 HB2 LYS 64 1HB LYS 64 10.488 -1.172 -14.635 493 HB3 LYS 64 2HB LYS 64 11.658 -0.105 -15.421 494 HG2 LYS 64 1HG LYS 64 13.483 -1.729 -14.898 495 HG3 LYS 64 2HG LYS 64 12.276 -2.833 -14.210 496 HD2 LYS 64 1HD LYS 64 11.123 -2.944 -16.416 497 HD3 LYS 64 2HD LYS 64 12.289 -1.795 -17.079 498 HE2 LYS 64 1HE LYS 64 12.965 -3.958 -17.810 499 HE3 LYS 64 2HE LYS 64 14.139 -3.411 -16.610 500 HZ1 LYS 64 3HZ LYS 64 13.474 -5.731 -16.263 501 HZ2 LYS 64 1HZ LYS 64 11.910 -5.314 -16.077 502 HZ3 LYS 64 2HZ LYS 64 13.025 -4.844 -14.974 503 H GLN 65 H GLN 65 12.524 2.000 -14.272 504 HA GLN 65 HA GLN 65 10.223 3.612 -13.218 505 HB2 GLN 65 1HB GLN 65 13.201 4.280 -13.181 506 HB3 GLN 65 2HB GLN 65 11.929 5.447 -12.834 507 HG2 GLN 65 1HG GLN 65 12.337 2.901 -11.206 508 HG3 GLN 65 2HG GLN 65 13.060 4.456 -10.828 509 HE21 GLN 65 1HE2 GLN 65 11.698 3.690 -8.777 510 HE22 GLN 65 2HE2 GLN 65 10.106 4.433 -8.708 511 H HIS 66 H HIS 66 10.197 5.859 -14.390 512 HA HIS 66 HA HIS 66 11.433 5.761 -17.050 513 HB2 HIS 66 1HB HIS 66 9.455 6.322 -18.282 514 HB3 HIS 66 2HB HIS 66 9.215 4.804 -17.436 515 HD1 HIS 66 1HD HIS 66 6.970 4.678 -16.096 516 HD2 HIS 66 2HD HIS 66 8.261 8.581 -16.979 517 HE1 HIS 66 1HE HIS 66 5.080 6.234 -15.383 518 H CYS 67 H CYS 67 11.689 7.664 -18.124 519 HA CYS 67 HA CYS 67 12.252 9.996 -16.528 520 HB2 CYS 67 1HB CYS 67 13.621 9.117 -18.370 521 HB3 CYS 67 2HB CYS 67 12.299 9.405 -19.504 522 H ARG 68 H ARG 68 11.339 11.931 -16.429 523 HA ARG 68 HA ARG 68 8.549 12.242 -17.395 524 HB2 ARG 68 1HB ARG 68 8.247 13.919 -15.765 525 HB3 ARG 68 2HB ARG 68 9.082 12.581 -15.016 526 HG2 ARG 68 1HG ARG 68 10.268 14.305 -14.111 527 HG3 ARG 68 2HG ARG 68 11.273 13.974 -15.511 528 HD2 ARG 68 1HD ARG 68 11.037 16.339 -15.270 529 HD3 ARG 68 2HD ARG 68 10.146 15.902 -16.709 530 HE ARG 68 HE ARG 68 9.059 16.713 -14.044 531 HH11 ARG 68 1HH1 ARG 68 8.195 15.991 -17.393 532 HH12 ARG 68 2HH1 ARG 68 6.711 16.895 -17.260 533 HH21 ARG 68 2HH2 ARG 68 7.126 17.755 -13.970 534 HH22 ARG 68 1HH2 ARG 68 6.108 17.814 -15.376 535 H PHE 69 H PHE 69 11.502 12.961 -18.682 536 HA PHE 69 HA PHE 69 10.520 15.438 -20.063 537 HB2 PHE 69 1HB PHE 69 13.303 14.297 -19.856 538 HB3 PHE 69 2HB PHE 69 12.867 15.815 -20.612 539 HD1 PHE 69 2HD PHE 69 12.146 17.764 -19.203 540 HD2 PHE 69 1HD PHE 69 13.622 14.099 -17.471 541 HE1 PHE 69 2HE PHE 69 12.656 18.964 -17.086 542 HE2 PHE 69 1HE PHE 69 14.137 15.305 -15.361 543 HZ PHE 69 HZ PHE 69 13.670 17.740 -15.173 544 H CYS 70 H CYS 70 11.766 12.155 -20.711 545 HA CYS 70 HA CYS 70 10.935 12.441 -23.558 546 HB2 CYS 70 1HB CYS 70 12.889 11.352 -24.345 547 HB3 CYS 70 2HB CYS 70 13.328 12.784 -23.420 548 H LYS 71 H LYS 71 10.104 10.842 -20.893 549 HA LYS 71 HA LYS 71 9.035 8.928 -20.351 550 HB2 LYS 71 1HB LYS 71 8.253 8.975 -23.275 551 HB3 LYS 71 2HB LYS 71 7.452 8.009 -22.054 552 HG2 LYS 71 1HG LYS 71 7.625 10.993 -21.574 553 HG3 LYS 71 2HG LYS 71 6.564 10.402 -22.839 554 HD2 LYS 71 1HD LYS 71 5.328 10.710 -20.788 555 HD3 LYS 71 2HD LYS 71 5.328 9.012 -21.277 556 HE2 LYS 71 1HE LYS 71 7.041 8.495 -19.587 557 HE3 LYS 71 2HE LYS 71 7.146 10.202 -19.132 558 HZ1 LYS 71 3HZ LYS 71 5.686 8.905 -17.636 559 HZ2 LYS 71 1HZ LYS 71 4.694 8.536 -18.875 560 HZ3 LYS 71 2HZ LYS 71 4.839 10.089 -18.387 561 H LYS 72 H LYS 72 11.863 8.603 -21.652 562 HA LYS 72 HA LYS 72 12.038 5.878 -22.500 563 HB2 LYS 72 1HB LYS 72 13.764 7.739 -22.780 564 HB3 LYS 72 2HB LYS 72 14.182 7.521 -21.091 565 HG2 LYS 72 1HG LYS 72 14.876 5.223 -21.489 566 HG3 LYS 72 2HG LYS 72 14.215 5.249 -23.132 567 HD2 LYS 72 1HD LYS 72 15.861 6.922 -23.824 568 HD3 LYS 72 2HD LYS 72 16.546 6.991 -22.199 569 HE2 LYS 72 1HE LYS 72 16.415 4.483 -23.938 570 HE3 LYS 72 2HE LYS 72 17.817 5.555 -23.844 571 HZ1 LYS 72 3HZ LYS 72 16.692 4.028 -21.556 572 HZ2 LYS 72 1HZ LYS 72 17.947 5.078 -21.460 573 HZ3 LYS 72 2HZ LYS 72 18.092 3.700 -22.334 574 H LYS 73 H LYS 73 12.342 3.974 -21.405 575 HA LYS 73 HA LYS 73 11.803 3.932 -18.495 576 HB2 LYS 73 1HB LYS 73 11.920 1.752 -20.600 577 HB3 LYS 73 2HB LYS 73 11.765 1.420 -18.866 578 HG2 LYS 73 1HG LYS 73 9.691 2.685 -18.720 579 HG3 LYS 73 2HG LYS 73 9.859 3.247 -20.382 580 HD2 LYS 73 1HD LYS 73 8.204 1.503 -20.315 581 HD3 LYS 73 2HD LYS 73 9.615 0.916 -21.207 582 HE2 LYS 73 1HE LYS 73 10.377 -0.322 -19.194 583 HE3 LYS 73 2HE LYS 73 9.006 0.312 -18.273 584 HZ1 LYS 73 3HZ LYS 73 8.787 -1.449 -20.660 585 HZ2 LYS 73 1HZ LYS 73 7.520 -0.863 -19.811 586 HZ3 LYS 73 2HZ LYS 73 8.547 -1.922 -19.118 587 H TYR 74 H TYR 74 13.039 3.078 -16.960 588 HA TYR 74 HA TYR 74 15.943 2.673 -17.511 589 HB2 TYR 74 1HB TYR 74 14.593 4.766 -15.831 590 HB3 TYR 74 2HB TYR 74 16.084 4.057 -15.216 591 HD1 TYR 74 1HD TYR 74 14.638 5.960 -18.095 592 HD2 TYR 74 2HD TYR 74 18.193 4.402 -16.229 593 HE1 TYR 74 1HE TYR 74 16.018 6.912 -19.943 594 HE2 TYR 74 2HE TYR 74 19.579 5.324 -18.085 595 HH TYR 74 HH TYR 74 19.567 6.335 -20.122 596 H SER 75 H SER 75 17.092 1.352 -16.267 597 HA SER 75 HA SER 75 15.684 -0.874 -15.114 598 HB2 SER 75 1HB SER 75 18.011 -1.772 -14.880 599 HB3 SER 75 2HB SER 75 17.614 -1.200 -16.508 600 HG SER 75 HG SER 75 19.648 -0.440 -15.899 601 H ASP 76 H ASP 76 17.225 1.898 -13.714 602 HA ASP 76 HA ASP 76 16.543 1.059 -10.975 603 HB2 ASP 76 1HB ASP 76 18.969 0.351 -11.541 604 HB3 ASP 76 2HB ASP 76 19.340 2.067 -11.656 605 H VAL 77 H VAL 77 16.132 2.917 -9.651 606 HA VAL 77 HA VAL 77 15.487 5.379 -10.997 607 HB VAL 77 HB VAL 77 14.459 4.579 -8.857 608 HG11 VAL 77 1HG1 VAL 77 15.460 5.045 -6.719 609 HG12 VAL 77 2HG1 VAL 77 16.547 3.973 -7.615 610 HG13 VAL 77 3HG1 VAL 77 16.920 5.708 -7.468 611 HG21 VAL 77 3HG2 VAL 77 14.171 6.886 -9.691 612 HG22 VAL 77 1HG2 VAL 77 14.154 6.809 -7.921 613 HG23 VAL 77 2HG2 VAL 77 15.600 7.400 -8.767 614 H LYS 78 H LYS 78 18.454 4.317 -9.275 615 HA LYS 78 HA LYS 78 19.748 6.909 -9.316 616 HB2 LYS 78 1HB LYS 78 20.915 4.094 -9.227 617 HB3 LYS 78 2HB LYS 78 21.842 5.586 -9.015 618 HG2 LYS 78 1HG LYS 78 20.397 6.204 -7.074 619 HG3 LYS 78 2HG LYS 78 19.550 4.653 -7.228 620 HD2 LYS 78 1HD LYS 78 21.679 3.444 -6.842 621 HD3 LYS 78 2HD LYS 78 22.538 4.996 -6.710 622 HE2 LYS 78 1HE LYS 78 21.066 5.623 -4.790 623 HE3 LYS 78 2HE LYS 78 20.269 4.049 -4.900 624 HZ1 LYS 78 3HZ LYS 78 22.021 4.038 -3.218 625 HZ2 LYS 78 1HZ LYS 78 23.154 4.466 -4.308 626 HZ3 LYS 78 2HZ LYS 78 22.427 3.006 -4.414 627 H ASN 79 H ASN 79 19.532 4.350 -11.755 628 HA ASN 79 HA ASN 79 21.414 5.644 -13.560 629 HB2 ASN 79 1HB ASN 79 19.296 3.477 -14.004 630 HB3 ASN 79 2HB ASN 79 20.403 4.034 -15.253 631 HD21 ASN 79 1HD2 ASN 79 20.243 1.316 -14.414 632 HD22 ASN 79 2HD2 ASN 79 21.803 0.949 -13.695 633 H LEU 80 H LEU 80 17.892 5.822 -13.084 634 HA LEU 80 HA LEU 80 17.339 7.472 -15.340 635 HB2 LEU 80 1HB LEU 80 15.626 6.303 -13.947 636 HB3 LEU 80 2HB LEU 80 16.016 7.399 -12.617 637 HG LEU 80 HG LEU 80 15.237 9.332 -13.907 638 HD11 LEU 80 1HD1 LEU 80 14.020 9.042 -15.975 639 HD12 LEU 80 2HD1 LEU 80 14.311 7.289 -15.970 640 HD13 LEU 80 3HD1 LEU 80 15.645 8.442 -16.214 641 HD21 LEU 80 3HD2 LEU 80 13.202 7.081 -13.793 642 HD22 LEU 80 1HD2 LEU 80 12.861 8.824 -13.785 643 HD23 LEU 80 2HD2 LEU 80 13.702 8.084 -12.413 644 H ILE 81 H ILE 81 18.355 8.348 -11.983 645 HA ILE 81 HA ILE 81 18.280 11.167 -12.345 646 HB ILE 81 HB ILE 81 20.370 9.746 -10.672 647 HG12 ILE 81 1HG1 ILE 81 18.462 8.702 -9.955 648 HG13 ILE 81 2HG1 ILE 81 18.803 9.897 -8.775 649 HG21 ILE 81 1HG2 ILE 81 19.030 12.469 -10.462 650 HG22 ILE 81 2HG2 ILE 81 20.151 11.787 -9.263 651 HG23 ILE 81 3HG2 ILE 81 20.724 12.140 -10.898 652 HD11 ILE 81 3HD1 ILE 81 16.605 10.096 -10.872 653 HD12 ILE 81 1HD1 ILE 81 16.406 9.838 -9.132 654 HD13 ILE 81 2HD1 ILE 81 17.030 11.390 -9.727 655 H LYS 82 H LYS 82 20.971 8.866 -12.877 656 HA LYS 82 HA LYS 82 22.869 10.744 -13.834 657 HB2 LYS 82 1HB LYS 82 23.348 8.425 -13.106 658 HB3 LYS 82 2HB LYS 82 22.521 7.792 -14.536 659 HG2 LYS 82 1HG LYS 82 24.214 8.766 -16.009 660 HG3 LYS 82 2HG LYS 82 24.962 9.614 -14.647 661 HD2 LYS 82 1HD LYS 82 26.281 7.659 -15.238 662 HD3 LYS 82 2HD LYS 82 25.594 7.463 -13.619 663 HE2 LYS 82 1HE LYS 82 23.794 6.018 -14.565 664 HE3 LYS 82 2HE LYS 82 24.475 6.232 -16.184 665 HZ1 LYS 82 3HZ LYS 82 25.218 4.154 -15.161 666 HZ2 LYS 82 1HZ LYS 82 25.879 4.946 -13.898 667 HZ3 LYS 82 2HZ LYS 82 26.503 5.131 -15.396 668 H HIS 83 H HIS 83 20.400 8.925 -15.697 669 HA HIS 83 HA HIS 83 20.973 10.053 -18.277 670 HB2 HIS 83 1HB HIS 83 19.573 8.155 -18.149 671 HB3 HIS 83 2HB HIS 83 18.508 8.876 -16.956 672 HD1 HIS 83 1HD HIS 83 19.236 9.150 -20.727 673 HD2 HIS 83 2HD HIS 83 16.435 10.238 -17.793 674 HE1 HIS 83 1HE HIS 83 17.251 10.080 -21.994 675 H ILE 84 H ILE 84 18.773 11.302 -15.698 676 HA ILE 84 HA ILE 84 17.984 13.617 -17.212 677 HB ILE 84 HB ILE 84 18.008 12.962 -14.260 678 HG12 ILE 84 1HG1 ILE 84 15.638 13.357 -16.135 679 HG13 ILE 84 2HG1 ILE 84 16.454 11.805 -15.998 680 HG21 ILE 84 1HG2 ILE 84 16.552 14.966 -13.911 681 HG22 ILE 84 2HG2 ILE 84 18.188 15.407 -14.376 682 HG23 ILE 84 3HG2 ILE 84 16.884 15.478 -15.578 683 HD11 ILE 84 3HD1 ILE 84 16.031 11.775 -13.560 684 HD12 ILE 84 1HD1 ILE 84 15.057 13.254 -13.734 685 HD13 ILE 84 2HD1 ILE 84 14.555 11.761 -14.559 686 H ARG 85 H ARG 85 20.639 13.161 -14.877 687 HA ARG 85 HA ARG 85 21.772 15.802 -15.154 688 HB2 ARG 85 1HB ARG 85 23.005 13.139 -14.327 689 HB3 ARG 85 2HB ARG 85 23.858 14.682 -14.268 690 HG2 ARG 85 1HG ARG 85 22.034 15.602 -12.798 691 HG3 ARG 85 2HG ARG 85 21.310 14.003 -12.732 692 HD2 ARG 85 1HD ARG 85 22.611 14.280 -10.736 693 HD3 ARG 85 2HD ARG 85 23.431 13.105 -11.756 694 HE ARG 85 HE ARG 85 25.236 14.554 -11.991 695 HH11 ARG 85 2HH1 ARG 85 22.636 16.484 -10.543 696 HH12 ARG 85 1HH1 ARG 85 23.753 17.839 -10.336 697 HH21 ARG 85 2HH2 ARG 85 26.472 16.430 -11.638 698 HH22 ARG 85 1HH2 ARG 85 25.662 17.812 -10.896 699 H ASP 86 H ASP 86 21.993 13.119 -17.338 700 HA ASP 86 HA ASP 86 24.277 14.344 -18.800 701 HB2 ASP 86 1HB ASP 86 22.810 11.702 -19.061 702 HB3 ASP 86 2HB ASP 86 23.996 12.271 -20.225 703 H ALA 87 H ALA 87 20.836 13.564 -19.409 704 HA ALA 87 HA ALA 87 21.014 14.809 -22.101 705 HB1 ALA 87 1HB ALA 87 20.291 12.456 -21.877 706 HB2 ALA 87 2HB ALA 87 18.927 12.973 -20.856 707 HB3 ALA 87 3HB ALA 87 19.011 13.483 -22.554 708 H HIS 88 H HIS 88 19.401 15.338 -19.002 709 HA HIS 88 HA HIS 88 17.795 17.579 -20.165 710 HB2 HIS 88 1HB HIS 88 16.998 15.735 -17.899 711 HB3 HIS 88 2HB HIS 88 16.008 16.939 -18.700 712 HD1 HIS 88 1HD HIS 88 16.044 16.183 -21.671 713 HD2 HIS 88 2HD HIS 88 16.207 13.404 -18.529 714 HE1 HIS 88 1HE HIS 88 15.201 13.987 -22.644 715 H ASP 89 H ASP 89 20.456 17.653 -18.898 716 HA ASP 89 HA ASP 89 20.420 18.193 -16.228 717 HB2 ASP 89 1HB ASP 89 22.672 18.776 -16.418 718 HB3 ASP 89 2HB ASP 89 22.354 17.634 -17.719 719 HA PRO 90 HA PRO 90 19.229 22.499 -15.779 720 HB2 PRO 90 1HB PRO 90 19.536 22.808 -13.134 721 HB3 PRO 90 2HB PRO 90 18.431 21.560 -13.792 722 HG2 PRO 90 1HG PRO 90 21.296 21.203 -12.850 723 HG3 PRO 90 2HG PRO 90 19.857 20.254 -12.356 724 HD2 PRO 90 1HD PRO 90 21.572 19.475 -14.378 725 HD3 PRO 90 2HD PRO 90 19.827 19.081 -14.374 726 H GLN 91 H GLN 91 22.218 21.838 -16.399 727 HA GLN 91 HA GLN 91 24.248 22.722 -16.472 728 HB2 GLN 91 1HB GLN 91 22.816 24.627 -17.430 729 HB3 GLN 91 2HB GLN 91 23.168 25.488 -15.929 730 HG2 GLN 91 1HG GLN 91 25.622 25.243 -16.410 731 HG3 GLN 91 2HG GLN 91 25.227 24.368 -17.890 732 HE21 GLN 91 1HE2 GLN 91 24.037 25.600 -19.626 733 HE22 GLN 91 2HE2 GLN 91 24.246 27.345 -19.676 734 H ASP 92 H ASP 92 23.641 21.514 -14.149 735 HA ASP 92 HA ASP 92 24.926 22.936 -11.891 736 HB2 ASP 92 1HB ASP 92 23.026 21.596 -11.336 737 HB3 ASP 92 2HB ASP 92 23.658 20.202 -12.210 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -12.543 -37.428 -10.105 2 H2 GLY 1 2H GLY 1 -10.916 -37.491 -10.276 3 H3 GLY 1 3H GLY 1 -11.726 -36.118 -10.658 4 HA2 GLY 1 1HA GLY 1 -10.600 -35.852 -8.548 5 HA3 GLY 1 2HA GLY 1 -12.362 -35.761 -8.373 6 H SER 2 H SER 2 -10.466 -36.437 -6.300 7 HA SER 2 HA SER 2 -10.580 -39.312 -5.804 8 HB2 SER 2 1HB SER 2 -9.543 -38.687 -3.634 9 HB3 SER 2 2HB SER 2 -8.658 -38.101 -5.052 10 HG SER 2 HG SER 2 -8.864 -36.478 -3.450 11 H SER 3 H SER 3 -11.521 -40.270 -3.906 12 HA SER 3 HA SER 3 -13.829 -38.918 -2.643 13 HB2 SER 3 1HB SER 3 -15.309 -40.828 -3.089 14 HB3 SER 3 2HB SER 3 -14.812 -40.010 -4.578 15 HG SER 3 HG SER 3 -14.681 -42.294 -4.765 16 H GLY 4 H GLY 4 -14.554 -39.909 -0.707 17 HA2 GLY 4 1HA GLY 4 -14.370 -41.055 1.289 18 HA3 GLY 4 2HA GLY 4 -13.178 -42.128 0.557 19 H SER 5 H SER 5 -11.119 -40.397 -0.115 20 HA SER 5 HA SER 5 -9.966 -39.631 2.474 21 HB2 SER 5 1HB SER 5 -7.923 -39.274 1.133 22 HB3 SER 5 2HB SER 5 -8.631 -40.880 0.891 23 HG SER 5 HG SER 5 -8.030 -39.886 -1.095 24 H SER 6 H SER 6 -11.610 -37.943 -0.059 25 HA SER 6 HA SER 6 -10.372 -35.346 0.330 26 HB2 SER 6 1HB SER 6 -11.462 -36.073 -1.786 27 HB3 SER 6 2HB SER 6 -13.036 -36.013 -0.965 28 HG SER 6 HG SER 6 -12.507 -34.063 -2.112 29 H GLY 7 H GLY 7 -11.236 -33.498 1.324 30 HA2 GLY 7 1HA GLY 7 -13.665 -33.292 2.758 31 HA3 GLY 7 2HA GLY 7 -12.428 -33.830 3.896 32 H LYS 8 H LYS 8 -13.615 -31.546 4.427 33 HA LYS 8 HA LYS 8 -13.502 -29.290 4.769 34 HB2 LYS 8 1HB LYS 8 -10.561 -29.952 4.939 35 HB3 LYS 8 2HB LYS 8 -11.296 -28.443 5.504 36 HG2 LYS 8 1HG LYS 8 -12.776 -29.721 7.033 37 HG3 LYS 8 2HG LYS 8 -11.982 -31.223 6.553 38 HD2 LYS 8 1HD LYS 8 -10.616 -28.842 7.892 39 HD3 LYS 8 2HD LYS 8 -11.157 -30.313 8.712 40 HE2 LYS 8 1HE LYS 8 -9.628 -31.665 7.266 41 HE3 LYS 8 2HE LYS 8 -9.041 -30.176 6.516 42 HZ1 LYS 8 3HZ LYS 8 -8.792 -30.843 9.402 43 HZ2 LYS 8 1HZ LYS 8 -8.257 -29.459 8.716 44 HZ3 LYS 8 2HZ LYS 8 -7.579 -30.889 8.314 45 HA PRO 9 HA PRO 9 -12.518 -28.389 0.259 46 HB2 PRO 9 1HB PRO 9 -15.032 -27.456 -0.434 47 HB3 PRO 9 2HB PRO 9 -14.555 -29.173 -0.476 48 HG2 PRO 9 1HG PRO 9 -15.991 -27.727 1.762 49 HG3 PRO 9 2HG PRO 9 -16.458 -29.266 0.964 50 HD2 PRO 9 1HD PRO 9 -15.082 -29.288 3.281 51 HD3 PRO 9 2HD PRO 9 -14.638 -30.423 1.974 52 H TYR 10 H TYR 10 -14.226 -26.460 2.715 53 HA TYR 10 HA TYR 10 -13.822 -23.993 1.242 54 HB2 TYR 10 1HB TYR 10 -14.896 -24.393 4.024 55 HB3 TYR 10 2HB TYR 10 -15.199 -23.046 2.920 56 HD1 TYR 10 2HD TYR 10 -15.937 -24.328 0.371 57 HD2 TYR 10 1HD TYR 10 -16.836 -25.570 4.398 58 HE1 TYR 10 2HE TYR 10 -17.901 -25.587 -0.456 59 HE2 TYR 10 1HE TYR 10 -18.786 -26.850 3.565 60 HH TYR 10 HH TYR 10 -19.665 -26.952 0.089 61 H LYS 11 H LYS 11 -11.819 -23.313 1.110 62 HA LYS 11 HA LYS 11 -9.954 -23.251 3.437 63 HB2 LYS 11 1HB LYS 11 -9.604 -23.089 0.431 64 HB3 LYS 11 2HB LYS 11 -8.388 -22.402 1.491 65 HG2 LYS 11 1HG LYS 11 -7.671 -24.564 0.893 66 HG3 LYS 11 2HG LYS 11 -8.049 -24.557 2.612 67 HD2 LYS 11 1HD LYS 11 -10.200 -25.702 2.151 68 HD3 LYS 11 2HD LYS 11 -9.859 -25.675 0.416 69 HE2 LYS 11 1HE LYS 11 -8.144 -27.072 2.523 70 HE3 LYS 11 2HE LYS 11 -9.408 -27.864 1.585 71 HZ1 LYS 11 3HZ LYS 11 -7.259 -28.223 0.561 72 HZ2 LYS 11 1HZ LYS 11 -6.971 -26.624 0.424 73 HZ3 LYS 11 2HZ LYS 11 -8.170 -27.320 -0.445 74 H CYS 12 H CYS 12 -8.849 -21.438 4.100 75 HA CYS 12 HA CYS 12 -10.168 -18.870 3.829 76 HB2 CYS 12 1HB CYS 12 -9.311 -19.680 5.918 77 HB3 CYS 12 2HB CYS 12 -7.676 -19.811 5.251 78 HA PRO 13 HA PRO 13 -7.401 -17.596 0.457 79 HB2 PRO 13 1HB PRO 13 -8.286 -15.040 0.123 80 HB3 PRO 13 2HB PRO 13 -9.254 -16.468 -0.349 81 HG2 PRO 13 1HG PRO 13 -9.507 -14.765 2.130 82 HG3 PRO 13 2HG PRO 13 -10.803 -15.419 1.090 83 HD2 PRO 13 1HD PRO 13 -9.910 -16.606 3.467 84 HD3 PRO 13 2HD PRO 13 -10.724 -17.489 2.144 85 H GLN 14 H GLN 14 -7.341 -16.557 3.720 86 HA GLN 14 HA GLN 14 -5.027 -14.714 3.275 87 HB2 GLN 14 1HB GLN 14 -6.938 -14.769 5.631 88 HB3 GLN 14 2HB GLN 14 -5.675 -13.586 5.277 89 HG2 GLN 14 1HG GLN 14 -6.968 -13.287 3.004 90 HG3 GLN 14 2HG GLN 14 -8.299 -14.067 3.850 91 HE21 GLN 14 1HE2 GLN 14 -9.752 -12.651 4.780 92 HE22 GLN 14 2HE2 GLN 14 -9.327 -11.031 5.309 93 H CYS 15 H CYS 15 -5.972 -17.657 4.964 94 HA CYS 15 HA CYS 15 -3.106 -18.059 5.577 95 HB2 CYS 15 1HB CYS 15 -3.420 -18.645 7.878 96 HB3 CYS 15 2HB CYS 15 -4.040 -17.022 7.609 97 H SER 16 H SER 16 -3.088 -20.404 6.863 98 HA SER 16 HA SER 16 -3.685 -22.287 4.731 99 HB2 SER 16 1HB SER 16 -2.485 -23.891 6.197 100 HB3 SER 16 2HB SER 16 -1.574 -22.407 5.878 101 HG SER 16 HG SER 16 -1.526 -23.008 8.105 102 H TYR 17 H TYR 17 -5.726 -21.141 7.056 103 HA TYR 17 HA TYR 17 -6.939 -23.398 8.232 104 HB2 TYR 17 1HB TYR 17 -7.294 -21.130 8.976 105 HB3 TYR 17 2HB TYR 17 -8.018 -20.674 7.448 106 HD1 TYR 17 1HD TYR 17 -8.455 -22.609 10.592 107 HD2 TYR 17 2HD TYR 17 -10.403 -21.181 7.012 108 HE1 TYR 17 1HE TYR 17 -10.676 -23.129 11.585 109 HE2 TYR 17 2HE TYR 17 -12.622 -21.656 8.033 110 HH TYR 17 HH TYR 17 -12.935 -23.059 11.318 111 H ALA 18 H ALA 18 -8.685 -24.647 7.799 112 HA ALA 18 HA ALA 18 -10.341 -24.240 5.452 113 HB1 ALA 18 1HB ALA 18 -8.500 -25.689 4.570 114 HB2 ALA 18 2HB ALA 18 -8.881 -26.894 5.815 115 HB3 ALA 18 3HB ALA 18 -10.077 -26.504 4.561 116 H SER 19 H SER 19 -12.381 -25.294 5.600 117 HA SER 19 HA SER 19 -12.911 -27.055 7.918 118 HB2 SER 19 1HB SER 19 -13.387 -24.632 8.590 119 HB3 SER 19 2HB SER 19 -14.720 -24.670 7.423 120 HG SER 19 HG SER 19 -14.302 -26.298 9.732 121 H ALA 20 H ALA 20 -15.050 -28.027 7.858 122 HA ALA 20 HA ALA 20 -15.858 -28.798 5.115 123 HB1 ALA 20 1HB ALA 20 -16.916 -30.704 6.224 124 HB2 ALA 20 2HB ALA 20 -15.220 -30.559 6.720 125 HB3 ALA 20 3HB ALA 20 -16.517 -30.025 7.816 126 H ILE 21 H ILE 21 -16.782 -26.414 7.189 127 HA ILE 21 HA ILE 21 -19.600 -26.384 6.172 128 HB ILE 21 HB ILE 21 -18.598 -25.550 8.915 129 HG12 ILE 21 1HG1 ILE 21 -20.396 -27.873 8.083 130 HG13 ILE 21 2HG1 ILE 21 -18.756 -28.003 8.714 131 HG21 ILE 21 1HG2 ILE 21 -21.436 -25.490 7.796 132 HG22 ILE 21 2HG2 ILE 21 -20.940 -25.034 9.444 133 HG23 ILE 21 3HG2 ILE 21 -20.400 -24.074 8.094 134 HD11 ILE 21 3HD1 ILE 21 -20.224 -28.576 10.482 135 HD12 ILE 21 1HD1 ILE 21 -19.538 -26.987 10.874 136 HD13 ILE 21 2HD1 ILE 21 -21.208 -27.124 10.264 137 H LYS 22 H LYS 22 -20.050 -24.566 5.005 138 HA LYS 22 HA LYS 22 -18.001 -22.575 4.599 139 HB2 LYS 22 1HB LYS 22 -19.838 -21.343 3.302 140 HB3 LYS 22 2HB LYS 22 -19.190 -22.841 2.684 141 HG2 LYS 22 1HG LYS 22 -21.678 -23.065 4.369 142 HG3 LYS 22 2HG LYS 22 -21.835 -22.286 2.792 143 HD2 LYS 22 1HD LYS 22 -20.933 -24.183 1.621 144 HD3 LYS 22 2HD LYS 22 -20.498 -24.995 3.133 145 HE2 LYS 22 1HE LYS 22 -22.802 -25.272 3.760 146 HE3 LYS 22 2HE LYS 22 -23.352 -24.317 2.370 147 HZ1 LYS 22 3HZ LYS 22 -21.871 -26.889 2.140 148 HZ2 LYS 22 1HZ LYS 22 -22.487 -26.028 0.902 149 HZ3 LYS 22 2HZ LYS 22 -23.492 -26.740 1.971 150 H ALA 23 H ALA 23 -20.809 -22.586 6.732 151 HA ALA 23 HA ALA 23 -20.636 -19.860 7.569 152 HB1 ALA 23 1HB ALA 23 -22.547 -21.357 8.053 153 HB2 ALA 23 2HB ALA 23 -21.524 -22.298 9.167 154 HB3 ALA 23 3HB ALA 23 -21.897 -20.602 9.519 155 H ASN 24 H ASN 24 -18.698 -22.712 8.552 156 HA ASN 24 HA ASN 24 -17.282 -21.346 10.686 157 HB2 ASN 24 1HB ASN 24 -16.639 -23.824 9.031 158 HB3 ASN 24 2HB ASN 24 -15.616 -23.226 10.301 159 HD21 ASN 24 1HD2 ASN 24 -16.338 -25.701 10.546 160 HD22 ASN 24 2HD2 ASN 24 -17.531 -25.881 11.839 161 H LEU 25 H LEU 25 -16.651 -21.768 7.150 162 HA LEU 25 HA LEU 25 -14.202 -20.269 7.224 163 HB2 LEU 25 1HB LEU 25 -14.765 -21.695 5.329 164 HB3 LEU 25 2HB LEU 25 -16.165 -20.686 4.945 165 HG LEU 25 HG LEU 25 -14.692 -18.772 4.434 166 HD11 LEU 25 1HD1 LEU 25 -12.759 -19.217 5.903 167 HD12 LEU 25 2HD1 LEU 25 -12.256 -19.101 4.223 168 HD13 LEU 25 3HD1 LEU 25 -12.387 -20.701 4.993 169 HD21 LEU 25 3HD2 LEU 25 -13.759 -21.268 2.983 170 HD22 LEU 25 1HD2 LEU 25 -13.754 -19.605 2.375 171 HD23 LEU 25 2HD2 LEU 25 -15.298 -20.427 2.666 172 H ASN 26 H ASN 26 -17.590 -19.136 6.635 173 HA ASN 26 HA ASN 26 -17.037 -16.389 6.311 174 HB2 ASN 26 1HB ASN 26 -19.341 -17.639 7.884 175 HB3 ASN 26 2HB ASN 26 -19.292 -15.989 7.303 176 HD21 ASN 26 1HD2 ASN 26 -21.326 -17.735 6.842 177 HD22 ASN 26 2HD2 ASN 26 -21.432 -18.010 5.097 178 H VAL 27 H VAL 27 -17.569 -18.168 9.392 179 HA VAL 27 HA VAL 27 -17.292 -15.848 11.021 180 HB VAL 27 HB VAL 27 -18.270 -18.306 11.450 181 HG11 VAL 27 1HG1 VAL 27 -16.165 -19.513 11.710 182 HG12 VAL 27 2HG1 VAL 27 -15.726 -18.462 13.078 183 HG13 VAL 27 3HG1 VAL 27 -17.144 -19.526 13.165 184 HG21 VAL 27 3HG2 VAL 27 -18.724 -16.263 12.687 185 HG22 VAL 27 1HG2 VAL 27 -18.445 -17.608 13.814 186 HG23 VAL 27 2HG2 VAL 27 -17.142 -16.417 13.520 187 H HIS 28 H HIS 28 -14.978 -18.251 10.000 188 HA HIS 28 HA HIS 28 -12.818 -17.474 11.606 189 HB2 HIS 28 1HB HIS 28 -12.895 -19.566 10.445 190 HB3 HIS 28 2HB HIS 28 -13.004 -18.788 8.869 191 HD1 HIS 28 1HD HIS 28 -10.312 -19.525 11.505 192 HD2 HIS 28 2HD HIS 28 -10.839 -17.812 7.702 193 HE1 HIS 28 1HE HIS 28 -7.981 -18.994 10.656 194 H LEU 29 H LEU 29 -13.817 -16.178 8.427 195 HA LEU 29 HA LEU 29 -11.520 -14.576 7.909 196 HB2 LEU 29 1HB LEU 29 -14.424 -14.173 7.127 197 HB3 LEU 29 2HB LEU 29 -13.095 -13.264 6.429 198 HG LEU 29 HG LEU 29 -13.210 -16.287 6.249 199 HD11 LEU 29 1HD1 LEU 29 -14.150 -16.011 3.993 200 HD12 LEU 29 2HD1 LEU 29 -14.244 -14.250 4.232 201 HD13 LEU 29 3HD1 LEU 29 -15.248 -15.344 5.208 202 HD21 LEU 29 3HD2 LEU 29 -11.747 -14.204 4.593 203 HD22 LEU 29 1HD2 LEU 29 -11.780 -15.953 4.302 204 HD23 LEU 29 2HD2 LEU 29 -11.011 -15.332 5.766 205 H ARG 30 H ARG 30 -14.075 -14.043 10.182 206 HA ARG 30 HA ARG 30 -13.902 -11.207 10.499 207 HB2 ARG 30 1HB ARG 30 -14.603 -13.322 12.582 208 HB3 ARG 30 2HB ARG 30 -14.913 -11.599 12.716 209 HG2 ARG 30 1HG ARG 30 -16.425 -11.686 10.747 210 HG3 ARG 30 2HG ARG 30 -16.098 -13.412 10.563 211 HD2 ARG 30 1HD ARG 30 -18.213 -13.200 11.680 212 HD3 ARG 30 2HD ARG 30 -17.038 -13.843 12.818 213 HE ARG 30 HE ARG 30 -17.203 -11.925 14.118 214 HH11 ARG 30 2HH1 ARG 30 -18.888 -11.254 11.113 215 HH12 ARG 30 1HH1 ARG 30 -19.579 -9.779 11.733 216 HH21 ARG 30 2HH2 ARG 30 -18.113 -10.035 14.829 217 HH22 ARG 30 1HH2 ARG 30 -19.147 -9.116 13.778 218 H LYS 31 H LYS 31 -11.725 -13.674 11.534 219 HA LYS 31 HA LYS 31 -10.262 -12.167 13.568 220 HB2 LYS 31 1HB LYS 31 -9.349 -14.504 11.833 221 HB3 LYS 31 2HB LYS 31 -8.576 -13.939 13.322 222 HG2 LYS 31 1HG LYS 31 -10.595 -14.561 14.614 223 HG3 LYS 31 2HG LYS 31 -11.388 -15.081 13.111 224 HD2 LYS 31 1HD LYS 31 -9.294 -16.617 12.787 225 HD3 LYS 31 2HD LYS 31 -9.027 -16.373 14.524 226 HE2 LYS 31 1HE LYS 31 -11.636 -17.233 13.234 227 HE3 LYS 31 2HE LYS 31 -10.429 -18.397 13.812 228 HZ1 LYS 31 3HZ LYS 31 -10.709 -17.479 16.060 229 HZ2 LYS 31 1HZ LYS 31 -12.136 -18.038 15.505 230 HZ3 LYS 31 2HZ LYS 31 -11.852 -16.432 15.540 231 H HIS 32 H HIS 32 -9.998 -12.540 10.107 232 HA HIS 32 HA HIS 32 -7.424 -11.191 9.865 233 HB2 HIS 32 1HB HIS 32 -9.381 -12.178 7.770 234 HB3 HIS 32 2HB HIS 32 -7.760 -11.569 7.447 235 HD1 HIS 32 1HD HIS 32 -5.824 -13.063 9.135 236 HD2 HIS 32 2HD HIS 32 -9.375 -14.762 7.663 237 HE1 HIS 32 1HE HIS 32 -5.436 -15.567 9.137 238 H THR 33 H THR 33 -9.682 -9.552 10.964 239 HA THR 33 HA THR 33 -9.810 -7.313 8.995 240 HB THR 33 HB THR 33 -11.533 -6.381 10.431 241 HG1 THR 33 1HG THR 33 -12.287 -7.684 12.176 242 HG21 THR 33 3HG2 THR 33 -13.288 -8.021 10.074 243 HG22 THR 33 1HG2 THR 33 -12.094 -9.329 9.890 244 HG23 THR 33 2HG2 THR 33 -12.179 -8.027 8.688 245 H GLY 34 H GLY 34 -9.879 -5.097 10.368 246 HA2 GLY 34 1HA GLY 34 -8.787 -3.692 11.949 247 HA3 GLY 34 2HA GLY 34 -7.655 -4.988 12.318 248 H GLU 35 H GLU 35 -5.746 -3.775 11.971 249 HA GLU 35 HA GLU 35 -5.500 -1.971 9.761 250 HB2 GLU 35 1HB GLU 35 -4.308 -1.811 12.008 251 HB3 GLU 35 2HB GLU 35 -3.196 -3.043 11.398 252 HG2 GLU 35 1HG GLU 35 -2.236 -0.838 11.082 253 HG3 GLU 35 2HG GLU 35 -2.586 -1.550 9.508 254 H LYS 36 H LYS 36 -4.898 -2.123 7.816 255 HA LYS 36 HA LYS 36 -3.785 -4.686 6.737 256 HB2 LYS 36 1HB LYS 36 -6.027 -2.868 5.861 257 HB3 LYS 36 2HB LYS 36 -5.125 -3.757 4.640 258 HG2 LYS 36 1HG LYS 36 -6.084 -5.310 7.051 259 HG3 LYS 36 2HG LYS 36 -7.284 -4.785 5.876 260 HD2 LYS 36 1HD LYS 36 -5.987 -5.855 4.045 261 HD3 LYS 36 2HD LYS 36 -4.743 -6.360 5.206 262 HE2 LYS 36 1HE LYS 36 -6.371 -7.802 6.355 263 HE3 LYS 36 2HE LYS 36 -7.660 -7.242 5.281 264 HZ1 LYS 36 3HZ LYS 36 -6.476 -8.222 3.408 265 HZ2 LYS 36 1HZ LYS 36 -6.682 -9.389 4.548 266 HZ3 LYS 36 2HZ LYS 36 -5.230 -8.681 4.342 267 H PHE 37 H PHE 37 -1.787 -4.358 6.461 268 HA PHE 37 HA PHE 37 -0.582 -1.859 5.552 269 HB2 PHE 37 1HB PHE 37 0.580 -4.617 6.122 270 HB3 PHE 37 2HB PHE 37 1.504 -3.139 5.883 271 HD1 PHE 37 2HD PHE 37 1.038 -1.127 7.421 272 HD2 PHE 37 1HD PHE 37 -0.300 -5.127 8.297 273 HE1 PHE 37 2HE PHE 37 0.639 -0.478 9.783 274 HE2 PHE 37 1HE PHE 37 -0.632 -4.498 10.679 275 HZ PHE 37 HZ PHE 37 -0.174 -2.161 11.413 276 H ALA 38 H ALA 38 -1.062 -1.336 3.513 277 HA ALA 38 HA ALA 38 -1.254 -3.361 1.400 278 HB1 ALA 38 1HB ALA 38 -2.227 -1.540 0.089 279 HB2 ALA 38 2HB ALA 38 -3.011 -1.619 1.683 280 HB3 ALA 38 3HB ALA 38 -1.794 -0.365 1.344 281 H CYS 39 H CYS 39 -0.051 -3.502 -0.471 282 HA CYS 39 HA CYS 39 2.628 -2.440 -0.510 283 HB2 CYS 39 1HB CYS 39 1.924 -4.595 -1.302 284 HB3 CYS 39 2HB CYS 39 0.883 -3.857 -2.527 285 H ASP 40 H ASP 40 3.503 -0.847 -1.637 286 HA ASP 40 HA ASP 40 1.760 1.286 -2.699 287 HB2 ASP 40 1HB ASP 40 3.698 1.729 -1.148 288 HB3 ASP 40 2HB ASP 40 4.787 1.204 -2.430 289 H TYR 41 H TYR 41 3.064 -1.528 -3.918 290 HA TYR 41 HA TYR 41 3.603 -0.425 -6.657 291 HB2 TYR 41 1HB TYR 41 4.819 -2.833 -5.255 292 HB3 TYR 41 2HB TYR 41 5.126 -2.317 -6.895 293 HD1 TYR 41 2HD TYR 41 5.548 -1.569 -3.316 294 HD2 TYR 41 1HD TYR 41 6.665 -0.437 -7.319 295 HE1 TYR 41 2HE TYR 41 7.412 -0.158 -2.401 296 HE2 TYR 41 1HE TYR 41 8.527 0.955 -6.415 297 HH TYR 41 HH TYR 41 9.611 1.692 -4.540 298 H CYS 42 H CYS 42 1.853 -2.884 -4.836 299 HA CYS 42 HA CYS 42 0.206 -3.333 -7.247 300 HB2 CYS 42 1HB CYS 42 0.116 -5.746 -7.014 301 HB3 CYS 42 2HB CYS 42 1.761 -5.194 -7.353 302 H SER 43 H SER 43 -1.686 -4.966 -6.496 303 HA SER 43 HA SER 43 -3.234 -3.531 -4.504 304 HB2 SER 43 1HB SER 43 -3.899 -6.094 -5.994 305 HB3 SER 43 2HB SER 43 -5.037 -5.048 -5.124 306 HG SER 43 HG SER 43 -5.034 -4.630 -7.383 307 H PHE 44 H PHE 44 -0.816 -5.610 -3.839 308 HA PHE 44 HA PHE 44 -1.920 -7.610 -2.182 309 HB2 PHE 44 1HB PHE 44 0.293 -7.758 -2.979 310 HB3 PHE 44 2HB PHE 44 0.776 -6.257 -2.223 311 HD1 PHE 44 2HD PHE 44 0.149 -9.851 -1.685 312 HD2 PHE 44 1HD PHE 44 1.299 -6.139 0.190 313 HE1 PHE 44 2HE PHE 44 1.022 -11.102 0.277 314 HE2 PHE 44 1HE PHE 44 2.167 -7.391 2.141 315 HZ PHE 44 HZ PHE 44 2.039 -9.878 2.187 316 H THR 45 H THR 45 -2.146 -7.810 0.018 317 HA THR 45 HA THR 45 -1.565 -5.596 1.823 318 HB THR 45 HB THR 45 -3.653 -5.786 3.034 319 HG1 THR 45 1HG THR 45 -4.649 -7.219 0.811 320 HG21 THR 45 3HG2 THR 45 -3.401 -3.995 1.476 321 HG22 THR 45 1HG2 THR 45 -5.096 -4.516 1.526 322 HG23 THR 45 2HG2 THR 45 -4.059 -4.973 0.144 323 H CYS 46 H CYS 46 -1.386 -6.160 3.968 324 HA CYS 46 HA CYS 46 -1.706 -9.004 4.753 325 HB2 CYS 46 1HB CYS 46 0.686 -8.586 3.922 326 HB3 CYS 46 2HB CYS 46 0.903 -7.545 5.340 327 HG CYS 46 HG CYS 46 0.038 -10.759 5.125 328 H LEU 47 H LEU 47 -1.728 -9.354 7.059 329 HA LEU 47 HA LEU 47 -2.663 -7.051 8.668 330 HB2 LEU 47 1HB LEU 47 -2.528 -10.044 9.230 331 HB3 LEU 47 2HB LEU 47 -3.037 -8.848 10.398 332 HG LEU 47 HG LEU 47 -4.978 -9.850 9.596 333 HD11 LEU 47 1HD1 LEU 47 -6.278 -8.007 8.734 334 HD12 LEU 47 2HD1 LEU 47 -4.824 -7.185 8.141 335 HD13 LEU 47 3HD1 LEU 47 -5.091 -7.383 9.886 336 HD21 LEU 47 3HD2 LEU 47 -4.120 -10.762 7.449 337 HD22 LEU 47 1HD2 LEU 47 -4.296 -9.146 6.724 338 HD23 LEU 47 2HD2 LEU 47 -5.720 -10.014 7.324 339 H SER 48 H SER 48 0.329 -8.283 7.902 340 HA SER 48 HA SER 48 1.549 -7.283 10.446 341 HB2 SER 48 1HB SER 48 2.066 -9.587 10.274 342 HB3 SER 48 2HB SER 48 2.491 -9.440 8.562 343 HG SER 48 HG SER 48 4.277 -9.454 10.174 344 H LYS 49 H LYS 49 2.727 -5.576 10.346 345 HA LYS 49 HA LYS 49 3.274 -4.050 7.953 346 HB2 LYS 49 1HB LYS 49 2.858 -3.285 10.374 347 HB3 LYS 49 2HB LYS 49 4.523 -3.762 10.719 348 HG2 LYS 49 1HG LYS 49 5.260 -2.161 8.892 349 HG3 LYS 49 2HG LYS 49 3.574 -1.640 8.740 350 HD2 LYS 49 1HD LYS 49 5.241 -1.477 11.290 351 HD3 LYS 49 2HD LYS 49 4.985 -0.139 10.161 352 HE2 LYS 49 1HE LYS 49 2.564 -0.207 10.583 353 HE3 LYS 49 2HE LYS 49 2.772 -1.571 11.691 354 HZ1 LYS 49 3HZ LYS 49 3.929 1.139 12.088 355 HZ2 LYS 49 1HZ LYS 49 4.125 -0.119 13.111 356 HZ3 LYS 49 2HZ LYS 49 2.648 0.535 12.895 357 H GLY 50 H GLY 50 5.135 -6.391 9.829 358 HA2 GLY 50 1HA GLY 50 7.713 -5.948 8.560 359 HA3 GLY 50 2HA GLY 50 7.210 -7.357 9.504 360 H HIS 51 H HIS 51 4.994 -8.263 7.981 361 HA HIS 51 HA HIS 51 6.299 -9.623 5.798 362 HB2 HIS 51 1HB HIS 51 3.368 -9.298 6.471 363 HB3 HIS 51 2HB HIS 51 3.995 -10.382 5.234 364 HD1 HIS 51 1HD HIS 51 2.407 -11.850 7.318 365 HD2 HIS 51 2HD HIS 51 6.503 -10.980 7.741 366 HE1 HIS 51 1HE HIS 51 3.323 -13.518 9.017 367 H LEU 52 H LEU 52 4.290 -6.648 5.856 368 HA LEU 52 HA LEU 52 4.132 -6.337 3.022 369 HB2 LEU 52 1HB LEU 52 2.767 -4.976 4.491 370 HB3 LEU 52 2HB LEU 52 4.196 -4.292 5.274 371 HG LEU 52 HG LEU 52 4.864 -3.197 3.144 372 HD11 LEU 52 1HD1 LEU 52 3.268 -3.067 1.309 373 HD12 LEU 52 2HD1 LEU 52 2.205 -4.256 2.094 374 HD13 LEU 52 3HD1 LEU 52 3.821 -4.720 1.504 375 HD21 LEU 52 3HD2 LEU 52 3.266 -1.444 3.137 376 HD22 LEU 52 1HD2 LEU 52 3.433 -2.013 4.807 377 HD23 LEU 52 2HD2 LEU 52 2.017 -2.481 3.832 378 H LYS 53 H LYS 53 6.737 -5.306 5.327 379 HA LYS 53 HA LYS 53 8.387 -4.045 3.342 380 HB2 LYS 53 1HB LYS 53 8.809 -3.512 5.589 381 HB3 LYS 53 2HB LYS 53 8.766 -5.191 6.119 382 HG2 LYS 53 1HG LYS 53 10.886 -5.671 5.022 383 HG3 LYS 53 2HG LYS 53 10.971 -4.016 4.384 384 HD2 LYS 53 1HD LYS 53 11.201 -3.100 6.613 385 HD3 LYS 53 2HD LYS 53 10.767 -4.661 7.365 386 HE2 LYS 53 1HE LYS 53 12.710 -5.729 6.383 387 HE3 LYS 53 2HE LYS 53 13.177 -4.226 5.569 388 HZ1 LYS 53 3HZ LYS 53 13.491 -3.212 7.776 389 HZ2 LYS 53 1HZ LYS 53 14.435 -4.535 7.639 390 HZ3 LYS 53 2HZ LYS 53 13.067 -4.603 8.524 391 H VAL 54 H VAL 54 8.359 -7.412 4.610 392 HA VAL 54 HA VAL 54 10.438 -8.370 2.923 393 HB VAL 54 HB VAL 54 8.071 -9.873 4.105 394 HG11 VAL 54 1HG1 VAL 54 10.598 -10.893 2.733 395 HG12 VAL 54 2HG1 VAL 54 9.579 -11.895 3.802 396 HG13 VAL 54 3HG1 VAL 54 8.904 -11.245 2.312 397 HG21 VAL 54 3HG2 VAL 54 9.702 -10.598 5.776 398 HG22 VAL 54 1HG2 VAL 54 10.988 -9.671 4.963 399 HG23 VAL 54 2HG2 VAL 54 9.637 -8.834 5.750 400 H HIS 55 H HIS 55 6.894 -8.288 2.286 401 HA HIS 55 HA HIS 55 6.908 -9.440 -0.262 402 HB2 HIS 55 1HB HIS 55 4.833 -8.994 0.876 403 HB3 HIS 55 2HB HIS 55 5.165 -7.267 0.952 404 HD1 HIS 55 1HD HIS 55 4.103 -9.918 -1.629 405 HD2 HIS 55 2HD HIS 55 4.557 -5.768 -1.139 406 HE1 HIS 55 1HE HIS 55 3.119 -8.863 -3.715 407 H ILE 56 H ILE 56 7.443 -5.947 0.515 408 HA ILE 56 HA ILE 56 7.858 -5.275 -2.284 409 HB ILE 56 HB ILE 56 8.554 -3.811 0.262 410 HG12 ILE 56 1HG1 ILE 56 6.277 -3.285 -1.695 411 HG13 ILE 56 2HG1 ILE 56 6.085 -4.257 -0.244 412 HG21 ILE 56 1HG2 ILE 56 9.991 -3.075 -1.643 413 HG22 ILE 56 2HG2 ILE 56 8.534 -2.797 -2.619 414 HG23 ILE 56 3HG2 ILE 56 8.859 -1.811 -1.175 415 HD11 ILE 56 3HD1 ILE 56 6.723 -2.355 1.179 416 HD12 ILE 56 1HD1 ILE 56 6.834 -1.317 -0.267 417 HD13 ILE 56 2HD1 ILE 56 5.282 -2.038 0.194 418 H GLU 57 H GLU 57 10.094 -6.090 0.367 419 HA GLU 57 HA GLU 57 12.536 -5.639 -1.064 420 HB2 GLU 57 1HB GLU 57 11.761 -7.363 1.315 421 HB3 GLU 57 2HB GLU 57 13.422 -7.240 0.783 422 HG2 GLU 57 1HG GLU 57 11.816 -4.738 1.445 423 HG3 GLU 57 2HG GLU 57 12.576 -5.731 2.681 424 H ARG 58 H ARG 58 10.321 -8.231 -1.245 425 HA ARG 58 HA ARG 58 12.281 -9.918 -2.783 426 HB2 ARG 58 1HB ARG 58 11.166 -11.832 -2.199 427 HB3 ARG 58 2HB ARG 58 11.054 -10.830 -0.768 428 HG2 ARG 58 1HG ARG 58 8.713 -10.183 -1.515 429 HG3 ARG 58 2HG ARG 58 8.867 -11.434 -2.765 430 HD2 ARG 58 1HD ARG 58 9.309 -13.110 -0.928 431 HD3 ARG 58 2HD ARG 58 9.043 -11.814 0.241 432 HE ARG 58 HE ARG 58 6.776 -12.039 -0.005 433 HH11 ARG 58 2HH1 ARG 58 8.187 -13.685 -2.767 434 HH12 ARG 58 1HH1 ARG 58 6.648 -14.313 -3.281 435 HH21 ARG 58 2HH2 ARG 58 4.863 -12.916 -0.704 436 HH22 ARG 58 1HH2 ARG 58 4.828 -13.879 -2.148 437 H VAL 59 H VAL 59 9.008 -8.529 -3.149 438 HA VAL 59 HA VAL 59 8.883 -9.668 -5.831 439 HB VAL 59 HB VAL 59 6.797 -7.952 -4.439 440 HG11 VAL 59 1HG1 VAL 59 6.493 -7.985 -6.888 441 HG12 VAL 59 2HG1 VAL 59 6.601 -9.759 -6.887 442 HG13 VAL 59 3HG1 VAL 59 5.242 -8.935 -6.092 443 HG21 VAL 59 3HG2 VAL 59 5.602 -10.161 -4.148 444 HG22 VAL 59 1HG2 VAL 59 7.097 -10.981 -4.640 445 HG23 VAL 59 2HG2 VAL 59 7.041 -9.990 -3.160 446 H HIS 60 H HIS 60 9.010 -6.388 -4.378 447 HA HIS 60 HA HIS 60 9.238 -5.179 -7.072 448 HB2 HIS 60 1HB HIS 60 8.410 -3.880 -4.495 449 HB3 HIS 60 2HB HIS 60 8.303 -3.196 -6.115 450 HD1 HIS 60 1HD HIS 60 6.533 -4.695 -7.813 451 HD2 HIS 60 2HD HIS 60 6.316 -5.109 -3.636 452 HE1 HIS 60 1HE HIS 60 4.237 -5.682 -7.339 453 H LYS 61 H LYS 61 11.424 -6.310 -5.306 454 HA LYS 61 HA LYS 61 13.300 -4.041 -5.106 455 HB2 LYS 61 1HB LYS 61 13.194 -5.793 -3.426 456 HB3 LYS 61 2HB LYS 61 13.629 -7.023 -4.599 457 HG2 LYS 61 1HG LYS 61 15.491 -4.671 -4.185 458 HG3 LYS 61 2HG LYS 61 15.344 -5.821 -2.877 459 HD2 LYS 61 1HD LYS 61 16.276 -6.450 -5.700 460 HD3 LYS 61 2HD LYS 61 17.264 -6.367 -4.254 461 HE2 LYS 61 1HE LYS 61 15.150 -8.456 -4.927 462 HE3 LYS 61 2HE LYS 61 16.896 -8.678 -4.853 463 HZ1 LYS 61 3HZ LYS 61 15.093 -8.143 -2.547 464 HZ2 LYS 61 1HZ LYS 61 16.736 -8.155 -2.431 465 HZ3 LYS 61 2HZ LYS 61 15.926 -9.509 -2.843 466 H LYS 62 H LYS 62 15.312 -3.989 -6.359 467 HA LYS 62 HA LYS 62 16.248 -3.622 -8.376 468 HB2 LYS 62 1HB LYS 62 16.644 -6.120 -8.101 469 HB3 LYS 62 2HB LYS 62 15.374 -6.360 -9.308 470 HG2 LYS 62 1HG LYS 62 16.693 -4.878 -10.885 471 HG3 LYS 62 2HG LYS 62 17.960 -4.761 -9.664 472 HD2 LYS 62 1HD LYS 62 17.003 -7.343 -10.983 473 HD3 LYS 62 2HD LYS 62 18.439 -6.421 -11.450 474 HE2 LYS 62 1HE LYS 62 19.393 -6.757 -9.169 475 HE3 LYS 62 2HE LYS 62 17.982 -7.730 -8.731 476 HZ1 LYS 62 3HZ LYS 62 19.902 -8.399 -10.899 477 HZ2 LYS 62 1HZ LYS 62 18.595 -9.296 -10.499 478 HZ3 LYS 62 2HZ LYS 62 19.830 -9.132 -9.444 479 H ILE 63 H ILE 63 14.142 -2.291 -8.073 480 HA ILE 63 HA ILE 63 12.747 -2.200 -10.703 481 HB ILE 63 HB ILE 63 11.320 -2.628 -8.667 482 HG12 ILE 63 1HG1 ILE 63 10.626 -0.107 -10.223 483 HG13 ILE 63 2HG1 ILE 63 10.498 -1.753 -10.858 484 HG21 ILE 63 1HG2 ILE 63 12.526 -1.033 -7.130 485 HG22 ILE 63 2HG2 ILE 63 11.821 0.320 -8.044 486 HG23 ILE 63 3HG2 ILE 63 10.780 -0.806 -7.156 487 HD11 ILE 63 3HD1 ILE 63 8.318 -1.040 -10.109 488 HD12 ILE 63 1HD1 ILE 63 8.891 -2.314 -9.016 489 HD13 ILE 63 2HD1 ILE 63 8.935 -0.607 -8.511 490 H LYS 64 H LYS 64 12.541 -0.148 -11.724 491 HA LYS 64 HA LYS 64 14.895 1.503 -11.430 492 HB2 LYS 64 1HB LYS 64 12.450 1.795 -13.209 493 HB3 LYS 64 2HB LYS 64 13.866 2.856 -13.266 494 HG2 LYS 64 1HG LYS 64 15.328 0.914 -13.760 495 HG3 LYS 64 2HG LYS 64 13.916 -0.159 -13.742 496 HD2 LYS 64 1HD LYS 64 12.918 1.115 -15.623 497 HD3 LYS 64 2HD LYS 64 14.338 2.186 -15.649 498 HE2 LYS 64 1HE LYS 64 15.801 0.232 -16.108 499 HE3 LYS 64 2HE LYS 64 14.394 -0.839 -16.069 500 HZ1 LYS 64 3HZ LYS 64 14.975 -0.230 -18.346 501 HZ2 LYS 64 1HZ LYS 64 14.803 1.360 -18.027 502 HZ3 LYS 64 2HZ LYS 64 13.502 0.370 -17.990 503 H GLN 65 H GLN 65 15.246 3.164 -10.264 504 HA GLN 65 HA GLN 65 13.083 4.932 -9.175 505 HB2 GLN 65 1HB GLN 65 15.593 3.876 -7.794 506 HB3 GLN 65 2HB GLN 65 14.530 5.109 -7.127 507 HG2 GLN 65 1HG GLN 65 13.678 2.243 -7.716 508 HG3 GLN 65 2HG GLN 65 14.197 2.859 -6.154 509 HE21 GLN 65 1HE2 GLN 65 12.888 4.857 -5.305 510 HE22 GLN 65 2HE2 GLN 65 11.161 4.769 -5.606 511 H HIS 66 H HIS 66 14.077 7.094 -8.420 512 HA HIS 66 HA HIS 66 16.602 7.770 -9.797 513 HB2 HIS 66 1HB HIS 66 15.827 9.844 -10.653 514 HB3 HIS 66 2HB HIS 66 14.792 8.565 -11.264 515 HD1 HIS 66 1HD HIS 66 12.214 8.980 -10.917 516 HD2 HIS 66 2HD HIS 66 14.725 11.362 -8.526 517 HE1 HIS 66 1HE HIS 66 10.708 10.695 -9.783 518 H CYS 67 H CYS 67 17.840 9.367 -8.927 519 HA CYS 67 HA CYS 67 17.793 9.661 -6.066 520 HB2 CYS 67 1HB CYS 67 19.791 9.370 -7.485 521 HB3 CYS 67 2HB CYS 67 19.455 10.903 -8.284 522 H ARG 68 H ARG 68 17.100 11.234 -4.793 523 HA ARG 68 HA ARG 68 15.604 13.488 -5.953 524 HB2 ARG 68 1HB ARG 68 14.694 13.882 -3.815 525 HB3 ARG 68 2HB ARG 68 14.653 12.171 -4.147 526 HG2 ARG 68 1HG ARG 68 15.189 12.397 -1.868 527 HG3 ARG 68 2HG ARG 68 16.652 11.836 -2.660 528 HD2 ARG 68 1HD ARG 68 17.044 13.553 -0.887 529 HD3 ARG 68 2HD ARG 68 17.682 14.007 -2.451 530 HE ARG 68 HE ARG 68 16.116 15.708 -2.687 531 HH11 ARG 68 2HH1 ARG 68 15.396 13.990 0.288 532 HH12 ARG 68 1HH1 ARG 68 14.328 15.244 0.857 533 HH21 ARG 68 2HH2 ARG 68 14.756 17.264 -1.893 534 HH22 ARG 68 1HH2 ARG 68 13.980 17.048 -0.352 535 H PHE 69 H PHE 69 18.814 13.122 -5.330 536 HA PHE 69 HA PHE 69 19.242 16.008 -4.651 537 HB2 PHE 69 1HB PHE 69 21.180 13.697 -4.672 538 HB3 PHE 69 2HB PHE 69 21.532 15.328 -4.148 539 HD1 PHE 69 2HD PHE 69 20.499 16.216 -2.023 540 HD2 PHE 69 1HD PHE 69 20.158 12.081 -3.202 541 HE1 PHE 69 2HE PHE 69 19.970 15.585 0.322 542 HE2 PHE 69 1HE PHE 69 19.647 11.455 -0.853 543 HZ PHE 69 HZ PHE 69 19.559 13.203 0.912 544 H CYS 70 H CYS 70 20.003 13.576 -7.174 545 HA CYS 70 HA CYS 70 20.958 15.773 -8.943 546 HB2 CYS 70 1HB CYS 70 22.821 14.533 -9.686 547 HB3 CYS 70 2HB CYS 70 22.884 14.720 -7.938 548 H LYS 71 H LYS 71 18.571 13.561 -8.738 549 HA LYS 71 HA LYS 71 17.180 12.484 -10.150 550 HB2 LYS 71 1HB LYS 71 17.987 14.797 -11.932 551 HB3 LYS 71 2HB LYS 71 16.685 13.695 -12.342 552 HG2 LYS 71 1HG LYS 71 16.724 15.271 -9.735 553 HG3 LYS 71 2HG LYS 71 15.996 15.859 -11.232 554 HD2 LYS 71 1HD LYS 71 14.470 13.931 -11.309 555 HD3 LYS 71 2HD LYS 71 15.183 13.284 -9.818 556 HE2 LYS 71 1HE LYS 71 14.451 15.219 -8.544 557 HE3 LYS 71 2HE LYS 71 13.865 16.019 -10.007 558 HZ1 LYS 71 3HZ LYS 71 12.200 14.297 -10.251 559 HZ2 LYS 71 1HZ LYS 71 12.071 14.913 -8.747 560 HZ3 LYS 71 2HZ LYS 71 12.764 13.446 -8.981 561 H LYS 72 H LYS 72 20.129 11.694 -10.344 562 HA LYS 72 HA LYS 72 20.374 10.269 -12.835 563 HB2 LYS 72 1HB LYS 72 22.207 10.817 -11.121 564 HB3 LYS 72 2HB LYS 72 21.560 9.525 -10.129 565 HG2 LYS 72 1HG LYS 72 22.020 7.871 -11.878 566 HG3 LYS 72 2HG LYS 72 22.476 9.146 -13.023 567 HD2 LYS 72 1HD LYS 72 24.436 9.728 -11.699 568 HD3 LYS 72 2HD LYS 72 23.956 8.608 -10.412 569 HE2 LYS 72 1HE LYS 72 24.070 6.724 -12.089 570 HE3 LYS 72 2HE LYS 72 24.709 7.870 -13.278 571 HZ1 LYS 72 3HZ LYS 72 26.587 8.262 -11.745 572 HZ2 LYS 72 1HZ LYS 72 26.497 6.681 -12.147 573 HZ3 LYS 72 2HZ LYS 72 25.970 7.172 -10.681 574 H LYS 73 H LYS 73 19.683 8.237 -13.427 575 HA LYS 73 HA LYS 73 17.580 6.975 -11.760 576 HB2 LYS 73 1HB LYS 73 18.366 6.666 -14.669 577 HB3 LYS 73 2HB LYS 73 17.259 5.545 -13.857 578 HG2 LYS 73 1HG LYS 73 15.763 7.376 -13.227 579 HG3 LYS 73 2HG LYS 73 16.846 8.561 -13.980 580 HD2 LYS 73 1HD LYS 73 16.475 7.534 -16.191 581 HD3 LYS 73 2HD LYS 73 15.453 6.276 -15.453 582 HE2 LYS 73 1HE LYS 73 13.887 8.004 -14.640 583 HE3 LYS 73 2HE LYS 73 14.901 9.275 -15.337 584 HZ1 LYS 73 3HZ LYS 73 14.460 8.327 -17.543 585 HZ2 LYS 73 1HZ LYS 73 13.054 8.713 -16.813 586 HZ3 LYS 73 2HZ LYS 73 13.521 7.154 -16.901 587 H TYR 74 H TYR 74 17.510 4.965 -11.080 588 HA TYR 74 HA TYR 74 20.005 3.315 -11.059 589 HB2 TYR 74 1HB TYR 74 18.520 4.550 -8.734 590 HB3 TYR 74 2HB TYR 74 19.289 2.980 -8.533 591 HD1 TYR 74 1HD TYR 74 19.970 6.576 -9.261 592 HD2 TYR 74 2HD TYR 74 21.637 2.683 -8.491 593 HE1 TYR 74 1HE TYR 74 22.267 7.550 -9.348 594 HE2 TYR 74 2HE TYR 74 23.939 3.637 -8.611 595 HH TYR 74 HH TYR 74 25.189 5.453 -9.056 596 H SER 75 H SER 75 19.681 1.231 -11.425 597 HA SER 75 HA SER 75 17.048 0.252 -12.039 598 HB2 SER 75 1HB SER 75 19.682 -1.256 -11.922 599 HB3 SER 75 2HB SER 75 18.200 -1.772 -12.751 600 HG SER 75 HG SER 75 19.701 -0.766 -14.181 601 H ASP 76 H ASP 76 18.559 0.351 -9.047 602 HA ASP 76 HA ASP 76 16.474 -1.352 -7.926 603 HB2 ASP 76 1HB ASP 76 18.581 -2.813 -8.156 604 HB3 ASP 76 2HB ASP 76 19.357 -1.729 -7.013 605 H VAL 77 H VAL 77 15.867 -0.676 -5.849 606 HA VAL 77 HA VAL 77 16.511 2.072 -5.151 607 HB VAL 77 HB VAL 77 14.305 0.985 -4.696 608 HG11 VAL 77 1HG1 VAL 77 15.114 -1.199 -3.772 609 HG12 VAL 77 2HG1 VAL 77 15.650 -0.337 -2.303 610 HG13 VAL 77 3HG1 VAL 77 13.936 -0.374 -2.743 611 HG21 VAL 77 3HG2 VAL 77 14.997 3.092 -3.609 612 HG22 VAL 77 1HG2 VAL 77 13.933 2.124 -2.575 613 HG23 VAL 77 2HG2 VAL 77 15.678 2.170 -2.250 614 H LYS 78 H LYS 78 17.599 -1.124 -3.881 615 HA LYS 78 HA LYS 78 19.199 -0.079 -1.747 616 HB2 LYS 78 1HB LYS 78 19.442 -2.596 -3.441 617 HB3 LYS 78 2HB LYS 78 20.531 -2.258 -2.106 618 HG2 LYS 78 1HG LYS 78 17.503 -2.465 -1.798 619 HG3 LYS 78 2HG LYS 78 18.645 -3.787 -1.532 620 HD2 LYS 78 1HD LYS 78 19.822 -2.352 0.185 621 HD3 LYS 78 2HD LYS 78 18.510 -1.178 0.056 622 HE2 LYS 78 1HE LYS 78 18.159 -4.114 0.817 623 HE3 LYS 78 2HE LYS 78 18.340 -2.798 1.980 624 HZ1 LYS 78 3HZ LYS 78 16.099 -3.075 0.047 625 HZ2 LYS 78 1HZ LYS 78 16.296 -1.804 1.079 626 HZ3 LYS 78 2HZ LYS 78 16.007 -3.327 1.623 627 H ASN 79 H ASN 79 20.021 -0.424 -5.199 628 HA ASN 79 HA ASN 79 22.758 0.471 -4.752 629 HB2 ASN 79 1HB ASN 79 21.060 0.231 -7.287 630 HB3 ASN 79 2HB ASN 79 22.762 0.688 -7.277 631 HD21 ASN 79 1HD2 ASN 79 22.167 -1.432 -8.798 632 HD22 ASN 79 2HD2 ASN 79 22.716 -2.904 -8.013 633 H LEU 80 H LEU 80 19.699 2.159 -5.430 634 HA LEU 80 HA LEU 80 20.868 4.739 -5.862 635 HB2 LEU 80 1HB LEU 80 18.486 4.176 -6.338 636 HB3 LEU 80 2HB LEU 80 18.223 3.962 -4.605 637 HG LEU 80 HG LEU 80 18.701 6.321 -4.170 638 HD11 LEU 80 1HD1 LEU 80 20.205 6.735 -6.157 639 HD12 LEU 80 2HD1 LEU 80 18.926 7.909 -5.947 640 HD13 LEU 80 3HD1 LEU 80 18.759 6.648 -7.193 641 HD21 LEU 80 3HD2 LEU 80 16.664 7.231 -5.150 642 HD22 LEU 80 1HD2 LEU 80 16.390 5.569 -4.602 643 HD23 LEU 80 2HD2 LEU 80 16.611 5.908 -6.335 644 H ILE 81 H ILE 81 19.868 3.034 -2.832 645 HA ILE 81 HA ILE 81 20.587 5.129 -1.035 646 HB ILE 81 HB ILE 81 20.945 2.184 -0.422 647 HG12 ILE 81 1HG1 ILE 81 18.795 2.215 -1.269 648 HG13 ILE 81 2HG1 ILE 81 18.652 2.173 0.434 649 HG21 ILE 81 1HG2 ILE 81 21.852 3.683 1.252 650 HG22 ILE 81 2HG2 ILE 81 20.339 4.618 1.294 651 HG23 ILE 81 3HG2 ILE 81 20.372 2.937 1.877 652 HD11 ILE 81 3HD1 ILE 81 18.194 4.637 -1.296 653 HD12 ILE 81 1HD1 ILE 81 16.960 3.671 -0.471 654 HD13 ILE 81 2HD1 ILE 81 18.117 4.621 0.481 655 H LYS 82 H LYS 82 22.536 2.425 -2.332 656 HA LYS 82 HA LYS 82 24.949 3.044 -1.023 657 HB2 LYS 82 1HB LYS 82 24.322 0.952 -2.344 658 HB3 LYS 82 2HB LYS 82 24.572 1.861 -3.823 659 HG2 LYS 82 1HG LYS 82 26.446 0.481 -3.455 660 HG3 LYS 82 2HG LYS 82 26.974 2.145 -3.254 661 HD2 LYS 82 1HD LYS 82 26.101 0.589 -0.810 662 HD3 LYS 82 2HD LYS 82 27.625 0.134 -1.552 663 HE2 LYS 82 1HE LYS 82 26.991 2.985 -0.674 664 HE3 LYS 82 2HE LYS 82 27.808 1.796 0.347 665 HZ1 LYS 82 3HZ LYS 82 29.578 1.665 -1.329 666 HZ2 LYS 82 1HZ LYS 82 29.378 3.234 -0.868 667 HZ3 LYS 82 2HZ LYS 82 28.809 2.782 -2.276 668 H HIS 83 H HIS 83 23.756 4.293 -4.156 669 HA HIS 83 HA HIS 83 25.919 6.112 -4.718 670 HB2 HIS 83 1HB HIS 83 24.408 5.571 -6.451 671 HB3 HIS 83 2HB HIS 83 22.990 5.920 -5.487 672 HD1 HIS 83 1HD HIS 83 25.747 7.839 -7.358 673 HD2 HIS 83 2HD HIS 83 22.018 8.360 -5.494 674 HE1 HIS 83 1HE HIS 83 25.000 10.186 -7.966 675 H ILE 84 H ILE 84 22.882 6.683 -2.860 676 HA ILE 84 HA ILE 84 23.476 9.417 -2.247 677 HB ILE 84 HB ILE 84 21.772 7.280 -0.950 678 HG12 ILE 84 1HG1 ILE 84 20.959 9.885 -2.306 679 HG13 ILE 84 2HG1 ILE 84 21.261 8.420 -3.230 680 HG21 ILE 84 1HG2 ILE 84 20.753 9.054 0.469 681 HG22 ILE 84 2HG2 ILE 84 22.415 8.691 0.917 682 HG23 ILE 84 3HG2 ILE 84 22.049 10.164 -0.024 683 HD11 ILE 84 3HD1 ILE 84 18.915 8.570 -2.860 684 HD12 ILE 84 1HD1 ILE 84 19.555 7.210 -1.904 685 HD13 ILE 84 2HD1 ILE 84 19.128 8.742 -1.103 686 H ARG 85 H ARG 85 24.291 6.447 -0.487 687 HA ARG 85 HA ARG 85 25.841 7.682 1.608 688 HB2 ARG 85 1HB ARG 85 25.852 4.880 0.410 689 HB3 ARG 85 2HB ARG 85 26.796 5.337 1.832 690 HG2 ARG 85 1HG ARG 85 24.767 6.043 3.010 691 HG3 ARG 85 2HG ARG 85 23.758 5.591 1.634 692 HD2 ARG 85 1HD ARG 85 24.356 3.276 1.830 693 HD3 ARG 85 2HD ARG 85 25.556 3.614 3.083 694 HE ARG 85 HE ARG 85 22.640 3.432 3.393 695 HH11 ARG 85 2HH1 ARG 85 25.558 4.566 4.978 696 HH12 ARG 85 1HH1 ARG 85 24.800 4.579 6.547 697 HH21 ARG 85 2HH2 ARG 85 21.745 3.481 5.418 698 HH22 ARG 85 1HH2 ARG 85 22.704 3.980 6.780 699 H ASP 86 H ASP 86 26.725 7.170 -1.671 700 HA ASP 86 HA ASP 86 29.630 7.539 -1.073 701 HB2 ASP 86 1HB ASP 86 28.143 6.745 -3.595 702 HB3 ASP 86 2HB ASP 86 29.866 7.100 -3.534 703 H ALA 87 H ALA 87 27.016 9.148 -2.900 704 HA ALA 87 HA ALA 87 28.850 11.369 -3.626 705 HB1 ALA 87 1HB ALA 87 27.708 10.089 -5.401 706 HB2 ALA 87 2HB ALA 87 26.130 10.542 -4.717 707 HB3 ALA 87 3HB ALA 87 27.201 11.790 -5.385 708 H HIS 88 H HIS 88 25.921 10.813 -1.719 709 HA HIS 88 HA HIS 88 25.641 13.755 -1.231 710 HB2 HIS 88 1HB HIS 88 23.433 11.686 -1.371 711 HB3 HIS 88 2HB HIS 88 23.262 13.425 -1.227 712 HD1 HIS 88 1HD HIS 88 24.738 14.636 -3.599 713 HD2 HIS 88 2HD HIS 88 22.775 10.927 -3.712 714 HE1 HIS 88 1HE HIS 88 24.217 14.201 -6.053 715 H ASP 89 H ASP 89 27.096 11.670 0.369 716 HA ASP 89 HA ASP 89 25.535 10.836 2.507 717 HB2 ASP 89 1HB ASP 89 27.429 9.764 3.293 718 HB3 ASP 89 2HB ASP 89 27.644 9.839 1.554 719 HA PRO 90 HA PRO 90 25.711 14.202 5.406 720 HB2 PRO 90 1HB PRO 90 24.989 12.968 7.727 721 HB3 PRO 90 2HB PRO 90 23.881 13.180 6.341 722 HG2 PRO 90 1HG PRO 90 25.474 10.715 7.085 723 HG3 PRO 90 2HG PRO 90 23.754 10.824 6.597 724 HD2 PRO 90 1HD PRO 90 25.783 10.158 4.855 725 HD3 PRO 90 2HD PRO 90 24.333 11.039 4.310 726 H GLN 91 H GLN 91 27.810 14.882 5.379 727 HA GLN 91 HA GLN 91 29.956 13.464 6.771 728 HB2 GLN 91 1HB GLN 91 29.918 16.009 5.113 729 HB3 GLN 91 2HB GLN 91 31.377 15.284 5.818 730 HG2 GLN 91 1HG GLN 91 31.016 13.211 4.561 731 HG3 GLN 91 2HG GLN 91 29.516 13.845 3.886 732 HE21 GLN 91 1HE2 GLN 91 30.608 13.211 1.833 733 HE22 GLN 91 2HE2 GLN 91 31.691 14.409 1.099 734 H ASP 92 H ASP 92 28.467 13.792 8.756 735 HA ASP 92 HA ASP 92 29.612 15.969 10.444 736 HB2 ASP 92 1HB ASP 92 27.421 16.755 9.670 737 HB3 ASP 92 2HB ASP 92 26.659 15.274 10.240 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -41.769 18.773 20.677 2 H2 GLY 1 2H GLY 1 -40.646 17.632 21.025 3 H3 GLY 1 3H GLY 1 -40.359 18.731 19.845 4 HA2 GLY 1 1HA GLY 1 -40.336 20.537 21.441 5 HA3 GLY 1 2HA GLY 1 -40.626 19.340 22.716 6 H SER 2 H SER 2 -38.668 19.990 23.753 7 HA SER 2 HA SER 2 -36.094 19.967 22.527 8 HB2 SER 2 1HB SER 2 -36.817 19.608 25.458 9 HB3 SER 2 2HB SER 2 -35.229 20.069 24.813 10 HG SER 2 HG SER 2 -36.459 21.895 25.491 11 H SER 3 H SER 3 -34.319 18.547 22.775 12 HA SER 3 HA SER 3 -34.914 15.702 22.685 13 HB2 SER 3 1HB SER 3 -32.446 15.498 22.370 14 HB3 SER 3 2HB SER 3 -33.253 16.553 21.200 15 HG SER 3 HG SER 3 -31.315 17.482 22.029 16 H GLY 4 H GLY 4 -33.869 14.079 23.988 17 HA2 GLY 4 1HA GLY 4 -34.118 14.536 26.835 18 HA3 GLY 4 2HA GLY 4 -33.605 13.047 26.048 19 H SER 5 H SER 5 -32.531 14.125 28.443 20 HA SER 5 HA SER 5 -30.007 15.454 27.977 21 HB2 SER 5 1HB SER 5 -31.092 14.159 30.501 22 HB3 SER 5 2HB SER 5 -29.725 15.288 30.394 23 HG SER 5 HG SER 5 -31.688 16.340 30.975 24 H SER 6 H SER 6 -29.681 13.411 26.362 25 HA SER 6 HA SER 6 -28.674 10.971 27.481 26 HB2 SER 6 1HB SER 6 -29.622 11.277 25.192 27 HB3 SER 6 2HB SER 6 -28.139 12.129 24.722 28 HG SER 6 HG SER 6 -28.119 9.881 24.198 29 H GLY 7 H GLY 7 -26.984 13.964 26.546 30 HA2 GLY 7 1HA GLY 7 -24.881 14.747 27.085 31 HA3 GLY 7 2HA GLY 7 -24.749 13.437 28.253 32 H LYS 8 H LYS 8 -23.236 11.991 27.887 33 HA LYS 8 HA LYS 8 -21.507 10.805 27.026 34 HB2 LYS 8 1HB LYS 8 -23.357 10.611 24.651 35 HB3 LYS 8 2HB LYS 8 -21.925 9.606 24.895 36 HG2 LYS 8 1HG LYS 8 -22.823 8.592 26.876 37 HG3 LYS 8 2HG LYS 8 -24.150 9.745 26.947 38 HD2 LYS 8 1HD LYS 8 -24.939 8.834 24.681 39 HD3 LYS 8 2HD LYS 8 -23.730 7.557 24.883 40 HE2 LYS 8 1HE LYS 8 -25.814 6.674 25.666 41 HE3 LYS 8 2HE LYS 8 -24.814 6.971 27.093 42 HZ1 LYS 8 3HZ LYS 8 -26.990 8.754 26.100 43 HZ2 LYS 8 1HZ LYS 8 -26.065 9.094 27.384 44 HZ3 LYS 8 2HZ LYS 8 -27.073 7.798 27.427 45 HA PRO 9 HA PRO 9 -19.721 14.541 24.830 46 HB2 PRO 9 1HB PRO 9 -17.628 14.914 26.637 47 HB3 PRO 9 2HB PRO 9 -19.243 15.642 26.739 48 HG2 PRO 9 1HG PRO 9 -18.269 13.207 28.182 49 HG3 PRO 9 2HG PRO 9 -19.181 14.600 28.836 50 HD2 PRO 9 1HD PRO 9 -20.423 12.307 28.132 51 HD3 PRO 9 2HD PRO 9 -21.180 13.889 27.802 52 H TYR 10 H TYR 10 -18.203 11.589 26.091 53 HA TYR 10 HA TYR 10 -15.829 11.933 24.423 54 HB2 TYR 10 1HB TYR 10 -16.729 9.650 26.203 55 HB3 TYR 10 2HB TYR 10 -15.162 9.778 25.418 56 HD1 TYR 10 1HD TYR 10 -17.348 11.146 28.062 57 HD2 TYR 10 2HD TYR 10 -13.473 11.404 26.189 58 HE1 TYR 10 1HE TYR 10 -16.520 12.447 29.990 59 HE2 TYR 10 2HE TYR 10 -12.650 12.769 28.110 60 HH TYR 10 HH TYR 10 -14.725 13.559 30.922 61 H LYS 11 H LYS 11 -16.128 11.674 22.278 62 HA LYS 11 HA LYS 11 -17.872 9.491 21.190 63 HB2 LYS 11 1HB LYS 11 -16.758 12.029 19.933 64 HB3 LYS 11 2HB LYS 11 -17.451 10.721 18.993 65 HG2 LYS 11 1HG LYS 11 -19.132 12.325 19.198 66 HG3 LYS 11 2HG LYS 11 -19.612 10.961 20.207 67 HD2 LYS 11 1HD LYS 11 -19.023 12.198 22.233 68 HD3 LYS 11 2HD LYS 11 -18.246 13.468 21.273 69 HE2 LYS 11 1HE LYS 11 -20.314 14.368 21.948 70 HE3 LYS 11 2HE LYS 11 -20.491 13.976 20.236 71 HZ1 LYS 11 3HZ LYS 11 -21.469 12.325 22.509 72 HZ2 LYS 11 1HZ LYS 11 -21.677 11.941 20.920 73 HZ3 LYS 11 2HZ LYS 11 -22.413 13.255 21.552 74 H CYS 12 H CYS 12 -17.183 8.036 19.636 75 HA CYS 12 HA CYS 12 -14.367 7.330 19.587 76 HB2 CYS 12 1HB CYS 12 -16.097 5.665 19.704 77 HB3 CYS 12 2HB CYS 12 -16.823 6.242 18.198 78 HA PRO 13 HA PRO 13 -13.629 9.761 15.819 79 HB2 PRO 13 1HB PRO 13 -11.043 9.077 15.348 80 HB3 PRO 13 2HB PRO 13 -11.516 10.079 16.755 81 HG2 PRO 13 1HG PRO 13 -10.949 7.105 16.676 82 HG3 PRO 13 2HG PRO 13 -10.359 8.316 17.856 83 HD2 PRO 13 1HD PRO 13 -12.588 6.699 18.256 84 HD3 PRO 13 2HD PRO 13 -12.394 8.308 19.009 85 H GLN 14 H GLN 14 -13.842 6.327 16.083 86 HA GLN 14 HA GLN 14 -13.413 5.915 13.152 87 HB2 GLN 14 1HB GLN 14 -13.363 3.830 15.351 88 HB3 GLN 14 2HB GLN 14 -12.944 3.631 13.654 89 HG2 GLN 14 1HG GLN 14 -11.231 5.639 14.268 90 HG3 GLN 14 2HG GLN 14 -11.438 4.975 15.885 91 HE21 GLN 14 1HE2 GLN 14 -9.173 4.338 15.946 92 HE22 GLN 14 2HE2 GLN 14 -8.615 2.982 14.977 93 H CYS 15 H CYS 15 -15.879 5.581 15.694 94 HA CYS 15 HA CYS 15 -17.830 4.984 13.543 95 HB2 CYS 15 1HB CYS 15 -18.782 3.082 14.635 96 HB3 CYS 15 2HB CYS 15 -17.070 2.791 14.373 97 H SER 16 H SER 16 -20.118 4.686 14.831 98 HA SER 16 HA SER 16 -20.733 7.390 15.685 99 HB2 SER 16 1HB SER 16 -23.067 6.548 15.716 100 HB3 SER 16 2HB SER 16 -22.222 6.229 14.195 101 HG SER 16 HG SER 16 -23.383 4.388 14.955 102 H TYR 17 H TYR 17 -19.460 4.941 17.501 103 HA TYR 17 HA TYR 17 -21.030 4.836 19.853 104 HB2 TYR 17 1HB TYR 17 -19.269 3.271 19.319 105 HB3 TYR 17 2HB TYR 17 -18.049 4.532 19.386 106 HD1 TYR 17 1HD TYR 17 -20.422 2.443 21.351 107 HD2 TYR 17 2HD TYR 17 -17.142 5.242 21.582 108 HE1 TYR 17 1HE TYR 17 -20.041 1.817 23.736 109 HE2 TYR 17 2HE TYR 17 -16.750 4.589 23.951 110 HH TYR 17 HH TYR 17 -17.275 3.079 25.598 111 H ALA 18 H ALA 18 -21.001 5.857 21.784 112 HA ALA 18 HA ALA 18 -19.068 7.914 22.404 113 HB1 ALA 18 1HB ALA 18 -20.653 9.708 22.855 114 HB2 ALA 18 2HB ALA 18 -20.830 9.198 21.164 115 HB3 ALA 18 3HB ALA 18 -22.022 8.675 22.374 116 H SER 19 H SER 19 -19.029 8.500 24.628 117 HA SER 19 HA SER 19 -20.720 6.969 26.536 118 HB2 SER 19 1HB SER 19 -18.640 5.635 26.069 119 HB3 SER 19 2HB SER 19 -17.679 7.008 26.654 120 HG SER 19 HG SER 19 -19.450 5.305 28.067 121 H ALA 20 H ALA 20 -20.525 7.701 28.733 122 HA ALA 20 HA ALA 20 -20.016 10.597 29.041 123 HB1 ALA 20 1HB ALA 20 -21.204 10.331 31.164 124 HB2 ALA 20 2HB ALA 20 -22.158 9.662 29.827 125 HB3 ALA 20 3HB ALA 20 -21.277 8.571 30.924 126 H ILE 21 H ILE 21 -18.166 7.815 29.299 127 HA ILE 21 HA ILE 21 -16.407 8.969 31.436 128 HB ILE 21 HB ILE 21 -17.141 6.055 30.996 129 HG12 ILE 21 1HG1 ILE 21 -17.955 7.946 33.252 130 HG13 ILE 21 2HG1 ILE 21 -19.025 7.315 31.999 131 HG21 ILE 21 1HG2 ILE 21 -15.835 5.629 33.061 132 HG22 ILE 21 2HG2 ILE 21 -14.827 6.344 31.828 133 HG23 ILE 21 3HG2 ILE 21 -15.425 7.352 33.163 134 HD11 ILE 21 3HD1 ILE 21 -19.457 6.066 33.960 135 HD12 ILE 21 1HD1 ILE 21 -18.607 4.992 32.833 136 HD13 ILE 21 2HD1 ILE 21 -17.748 5.706 34.224 137 H LYS 22 H LYS 22 -14.351 9.264 30.822 138 HA LYS 22 HA LYS 22 -13.370 8.762 28.214 139 HB2 LYS 22 1HB LYS 22 -12.552 10.471 29.820 140 HB3 LYS 22 2HB LYS 22 -11.719 9.199 30.727 141 HG2 LYS 22 1HG LYS 22 -10.280 8.694 28.841 142 HG3 LYS 22 2HG LYS 22 -11.292 9.635 27.736 143 HD2 LYS 22 1HD LYS 22 -9.270 10.851 28.210 144 HD3 LYS 22 2HD LYS 22 -10.669 11.711 28.867 145 HE2 LYS 22 1HE LYS 22 -10.160 10.839 31.132 146 HE3 LYS 22 2HE LYS 22 -8.788 9.928 30.483 147 HZ1 LYS 22 3HZ LYS 22 -9.031 12.892 30.458 148 HZ2 LYS 22 1HZ LYS 22 -7.763 12.052 29.858 149 HZ3 LYS 22 2HZ LYS 22 -8.072 12.034 31.459 150 H ALA 23 H ALA 23 -12.889 6.797 31.165 151 HA ALA 23 HA ALA 23 -11.173 4.839 30.045 152 HB1 ALA 23 1HB ALA 23 -11.868 3.461 31.947 153 HB2 ALA 23 2HB ALA 23 -11.592 5.135 32.458 154 HB3 ALA 23 3HB ALA 23 -13.252 4.528 32.251 155 H ASN 24 H ASN 24 -14.712 5.134 29.765 156 HA ASN 24 HA ASN 24 -14.999 2.478 28.531 157 HB2 ASN 24 1HB ASN 24 -16.878 4.748 29.188 158 HB3 ASN 24 2HB ASN 24 -17.358 3.510 28.046 159 HD21 ASN 24 1HD2 ASN 24 -16.199 3.895 31.437 160 HD22 ASN 24 2HD2 ASN 24 -16.986 2.422 31.975 161 H LEU 25 H LEU 25 -14.272 5.721 27.381 162 HA LEU 25 HA LEU 25 -14.602 4.914 24.575 163 HB2 LEU 25 1HB LEU 25 -14.854 7.260 25.135 164 HB3 LEU 25 2HB LEU 25 -13.232 7.314 25.834 165 HG LEU 25 HG LEU 25 -12.228 6.859 23.622 166 HD11 LEU 25 1HD1 LEU 25 -15.085 6.996 22.555 167 HD12 LEU 25 2HD1 LEU 25 -14.023 5.569 22.518 168 HD13 LEU 25 3HD1 LEU 25 -13.598 6.992 21.579 169 HD21 LEU 25 3HD2 LEU 25 -14.209 9.150 23.455 170 HD22 LEU 25 1HD2 LEU 25 -12.664 8.997 22.605 171 HD23 LEU 25 2HD2 LEU 25 -12.677 9.195 24.366 172 H ASN 26 H ASN 26 -11.795 5.262 26.836 173 HA ASN 26 HA ASN 26 -9.737 4.427 25.119 174 HB2 ASN 26 1HB ASN 26 -10.144 3.617 28.041 175 HB3 ASN 26 2HB ASN 26 -8.634 3.495 27.161 176 HD21 ASN 26 1HD2 ASN 26 -8.926 4.723 29.558 177 HD22 ASN 26 2HD2 ASN 26 -8.530 6.436 29.351 178 H VAL 27 H VAL 27 -11.860 2.325 27.109 179 HA VAL 27 HA VAL 27 -10.689 -0.122 26.282 180 HB VAL 27 HB VAL 27 -12.327 0.559 28.242 181 HG11 VAL 27 1HG1 VAL 27 -14.338 -0.802 26.458 182 HG12 VAL 27 2HG1 VAL 27 -14.525 -0.307 28.153 183 HG13 VAL 27 3HG1 VAL 27 -14.334 0.924 26.905 184 HG21 VAL 27 3HG2 VAL 27 -11.030 -1.469 28.094 185 HG22 VAL 27 1HG2 VAL 27 -12.670 -1.848 28.649 186 HG23 VAL 27 2HG2 VAL 27 -12.215 -2.168 26.951 187 H HIS 28 H HIS 28 -13.312 1.729 24.951 188 HA HIS 28 HA HIS 28 -14.273 -0.181 23.090 189 HB2 HIS 28 1HB HIS 28 -15.586 1.694 23.838 190 HB3 HIS 28 2HB HIS 28 -14.424 2.853 23.224 191 HD1 HIS 28 1HD HIS 28 -17.134 0.533 21.826 192 HD2 HIS 28 2HD HIS 28 -14.334 3.439 20.643 193 HE1 HIS 28 1HE HIS 28 -17.611 0.999 19.379 194 H LEU 29 H LEU 29 -11.772 2.333 22.804 195 HA LEU 29 HA LEU 29 -11.306 2.086 19.982 196 HB2 LEU 29 1HB LEU 29 -9.499 2.980 22.244 197 HB3 LEU 29 2HB LEU 29 -9.101 3.183 20.545 198 HG LEU 29 HG LEU 29 -11.586 4.412 21.776 199 HD11 LEU 29 1HD1 LEU 29 -8.841 5.672 21.376 200 HD12 LEU 29 2HD1 LEU 29 -9.588 5.280 22.940 201 HD13 LEU 29 3HD1 LEU 29 -10.314 6.518 21.906 202 HD21 LEU 29 3HD2 LEU 29 -10.046 5.031 19.233 203 HD22 LEU 29 1HD2 LEU 29 -11.418 5.949 19.886 204 HD23 LEU 29 2HD2 LEU 29 -11.662 4.286 19.343 205 H ARG 30 H ARG 30 -10.241 0.087 22.643 206 HA ARG 30 HA ARG 30 -8.040 -1.273 21.450 207 HB2 ARG 30 1HB ARG 30 -10.162 -2.447 23.296 208 HB3 ARG 30 2HB ARG 30 -8.588 -3.151 22.956 209 HG2 ARG 30 1HG ARG 30 -7.444 -1.234 23.987 210 HG3 ARG 30 2HG ARG 30 -9.002 -0.452 24.306 211 HD2 ARG 30 1HD ARG 30 -9.686 -2.358 25.724 212 HD3 ARG 30 2HD ARG 30 -8.114 -3.133 25.431 213 HE ARG 30 HE ARG 30 -7.639 -0.512 26.426 214 HH11 ARG 30 2HH1 ARG 30 -8.860 -3.561 27.647 215 HH12 ARG 30 1HH1 ARG 30 -8.364 -3.210 29.281 216 HH21 ARG 30 2HH2 ARG 30 -7.026 -0.131 28.532 217 HH22 ARG 30 1HH2 ARG 30 -7.357 -1.317 29.760 218 H LYS 31 H LYS 31 -11.501 -1.735 20.954 219 HA LYS 31 HA LYS 31 -11.384 -4.215 19.477 220 HB2 LYS 31 1HB LYS 31 -13.517 -2.046 19.282 221 HB3 LYS 31 2HB LYS 31 -13.696 -3.772 18.938 222 HG2 LYS 31 1HG LYS 31 -13.230 -4.246 21.369 223 HG3 LYS 31 2HG LYS 31 -13.165 -2.497 21.651 224 HD2 LYS 31 1HD LYS 31 -15.544 -2.415 20.603 225 HD3 LYS 31 2HD LYS 31 -15.556 -4.182 20.861 226 HE2 LYS 31 1HE LYS 31 -14.805 -3.701 23.249 227 HE3 LYS 31 2HE LYS 31 -15.029 -1.985 22.899 228 HZ1 LYS 31 3HZ LYS 31 -17.012 -2.934 23.981 229 HZ2 LYS 31 1HZ LYS 31 -17.170 -4.067 22.820 230 HZ3 LYS 31 2HZ LYS 31 -17.414 -2.495 22.458 231 H HIS 32 H HIS 32 -11.051 -0.881 18.565 232 HA HIS 32 HA HIS 32 -11.091 -1.360 15.675 233 HB2 HIS 32 1HB HIS 32 -10.416 1.115 17.313 234 HB3 HIS 32 2HB HIS 32 -10.509 1.051 15.567 235 HD1 HIS 32 1HD HIS 32 -13.171 -0.223 14.875 236 HD2 HIS 32 2HD HIS 32 -12.546 2.324 18.160 237 HE1 HIS 32 1HE HIS 32 -15.446 0.744 15.433 238 H THR 33 H THR 33 -8.674 -2.175 17.823 239 HA THR 33 HA THR 33 -6.393 -1.073 16.389 240 HB THR 33 HB THR 33 -4.993 -2.485 17.787 241 HG1 THR 33 1HG THR 33 -7.338 -3.358 19.100 242 HG21 THR 33 3HG2 THR 33 -5.656 -0.322 18.626 243 HG22 THR 33 1HG2 THR 33 -5.588 -1.488 19.963 244 HG23 THR 33 2HG2 THR 33 -7.158 -0.978 19.290 245 H GLY 34 H GLY 34 -4.649 -2.324 15.476 246 HA2 GLY 34 1HA GLY 34 -3.774 -3.994 14.076 247 HA3 GLY 34 2HA GLY 34 -5.331 -4.817 14.041 248 H GLU 35 H GLU 35 -3.468 -3.944 11.849 249 HA GLU 35 HA GLU 35 -5.287 -2.259 10.185 250 HB2 GLU 35 1HB GLU 35 -2.395 -1.734 10.904 251 HB3 GLU 35 2HB GLU 35 -3.096 -1.119 9.402 252 HG2 GLU 35 1HG GLU 35 -4.808 0.103 10.635 253 HG3 GLU 35 2HG GLU 35 -4.215 -0.538 12.166 254 H LYS 36 H LYS 36 -5.212 -2.450 8.052 255 HA LYS 36 HA LYS 36 -3.736 -4.761 6.882 256 HB2 LYS 36 1HB LYS 36 -5.947 -3.004 5.739 257 HB3 LYS 36 2HB LYS 36 -5.033 -4.219 4.831 258 HG2 LYS 36 1HG LYS 36 -5.722 -5.896 6.662 259 HG3 LYS 36 2HG LYS 36 -6.895 -4.681 7.193 260 HD2 LYS 36 1HD LYS 36 -7.982 -4.709 4.981 261 HD3 LYS 36 2HD LYS 36 -6.692 -5.731 4.332 262 HE2 LYS 36 1HE LYS 36 -8.514 -7.178 4.709 263 HE3 LYS 36 2HE LYS 36 -7.301 -7.525 5.943 264 HZ1 LYS 36 3HZ LYS 36 -8.643 -6.209 7.519 265 HZ2 LYS 36 1HZ LYS 36 -9.552 -7.404 6.884 266 HZ3 LYS 36 2HZ LYS 36 -9.747 -5.875 6.359 267 H PHE 37 H PHE 37 -1.788 -4.353 6.443 268 HA PHE 37 HA PHE 37 -0.783 -1.747 5.517 269 HB2 PHE 37 1HB PHE 37 0.613 -4.390 6.098 270 HB3 PHE 37 2HB PHE 37 1.402 -2.854 5.762 271 HD1 PHE 37 2HD PHE 37 0.889 -0.833 7.259 272 HD2 PHE 37 1HD PHE 37 -0.038 -4.899 8.347 273 HE1 PHE 37 2HE PHE 37 0.676 -0.147 9.634 274 HE2 PHE 37 1HE PHE 37 -0.226 -4.217 10.729 275 HZ PHE 37 HZ PHE 37 0.114 -1.834 11.368 276 H ALA 38 H ALA 38 -1.197 -1.272 3.465 277 HA ALA 38 HA ALA 38 -1.369 -3.358 1.395 278 HB1 ALA 38 1HB ALA 38 -2.377 -1.592 0.044 279 HB2 ALA 38 2HB ALA 38 -3.167 -1.650 1.636 280 HB3 ALA 38 3HB ALA 38 -1.976 -0.378 1.273 281 H CYS 39 H CYS 39 -0.151 -3.495 -0.471 282 HA CYS 39 HA CYS 39 2.509 -2.367 -0.476 283 HB2 CYS 39 1HB CYS 39 1.883 -4.556 -1.266 284 HB3 CYS 39 2HB CYS 39 0.853 -3.857 -2.519 285 H ASP 40 H ASP 40 3.363 -0.750 -1.568 286 HA ASP 40 HA ASP 40 1.593 1.331 -2.689 287 HB2 ASP 40 1HB ASP 40 3.487 1.822 -1.094 288 HB3 ASP 40 2HB ASP 40 4.615 1.331 -2.357 289 H TYR 41 H TYR 41 2.996 -1.454 -3.858 290 HA TYR 41 HA TYR 41 3.575 -0.350 -6.585 291 HB2 TYR 41 1HB TYR 41 4.805 -2.740 -5.160 292 HB3 TYR 41 2HB TYR 41 5.156 -2.188 -6.775 293 HD1 TYR 41 1HD TYR 41 6.570 -0.148 -7.097 294 HD2 TYR 41 2HD TYR 41 5.487 -1.561 -3.176 295 HE1 TYR 41 1HE TYR 41 8.333 1.311 -6.086 296 HE2 TYR 41 2HE TYR 41 7.242 -0.092 -2.160 297 HH TYR 41 HH TYR 41 8.890 1.447 -2.551 298 H CYS 42 H CYS 42 1.823 -2.827 -4.805 299 HA CYS 42 HA CYS 42 0.216 -3.281 -7.241 300 HB2 CYS 42 1HB CYS 42 0.168 -5.702 -7.036 301 HB3 CYS 42 2HB CYS 42 1.811 -5.124 -7.338 302 H SER 43 H SER 43 -1.644 -4.969 -6.535 303 HA SER 43 HA SER 43 -3.266 -3.599 -4.562 304 HB2 SER 43 1HB SER 43 -3.806 -6.208 -6.022 305 HB3 SER 43 2HB SER 43 -5.001 -5.180 -5.213 306 HG SER 43 HG SER 43 -4.575 -3.549 -6.742 307 H PHE 44 H PHE 44 -0.782 -5.648 -3.896 308 HA PHE 44 HA PHE 44 -1.860 -7.643 -2.230 309 HB2 PHE 44 1HB PHE 44 0.363 -7.729 -3.011 310 HB3 PHE 44 2HB PHE 44 0.810 -6.239 -2.215 311 HD1 PHE 44 2HD PHE 44 0.210 -9.852 -1.766 312 HD2 PHE 44 1HD PHE 44 1.313 -6.171 0.195 313 HE1 PHE 44 2HE PHE 44 1.065 -11.137 0.183 314 HE2 PHE 44 1HE PHE 44 2.163 -7.458 2.137 315 HZ PHE 44 HZ PHE 44 2.051 -9.944 2.129 316 H THR 45 H THR 45 -2.105 -7.850 -0.039 317 HA THR 45 HA THR 45 -1.678 -5.598 1.792 318 HB THR 45 HB THR 45 -3.896 -5.958 2.865 319 HG1 THR 45 1HG THR 45 -4.461 -7.932 1.816 320 HG21 THR 45 3HG2 THR 45 -3.478 -4.026 1.503 321 HG22 THR 45 1HG2 THR 45 -5.163 -4.550 1.333 322 HG23 THR 45 2HG2 THR 45 -3.993 -4.893 0.032 323 H CYS 46 H CYS 46 -1.400 -6.148 3.905 324 HA CYS 46 HA CYS 46 -1.767 -8.958 4.773 325 HB2 CYS 46 1HB CYS 46 0.553 -8.722 3.801 326 HB3 CYS 46 2HB CYS 46 0.926 -7.560 5.090 327 HG CYS 46 HG CYS 46 1.903 -10.051 5.505 328 H LEU 47 H LEU 47 -1.795 -9.246 7.064 329 HA LEU 47 HA LEU 47 -2.669 -6.869 8.576 330 HB2 LEU 47 1HB LEU 47 -2.717 -9.862 9.064 331 HB3 LEU 47 2HB LEU 47 -3.027 -8.738 10.365 332 HG LEU 47 HG LEU 47 -5.079 -9.604 9.451 333 HD11 LEU 47 1HD1 LEU 47 -6.315 -7.539 9.217 334 HD12 LEU 47 2HD1 LEU 47 -4.838 -6.639 8.816 335 HD13 LEU 47 3HD1 LEU 47 -5.048 -7.332 10.437 336 HD21 LEU 47 3HD2 LEU 47 -4.512 -8.127 6.856 337 HD22 LEU 47 1HD2 LEU 47 -5.951 -9.074 7.279 338 HD23 LEU 47 2HD2 LEU 47 -4.395 -9.891 7.074 339 H SER 48 H SER 48 0.329 -8.158 7.984 340 HA SER 48 HA SER 48 1.462 -7.104 10.553 341 HB2 SER 48 1HB SER 48 2.440 -9.454 8.901 342 HB3 SER 48 2HB SER 48 3.310 -8.731 10.264 343 HG SER 48 HG SER 48 0.727 -9.944 10.352 344 H LYS 49 H LYS 49 2.786 -5.455 10.334 345 HA LYS 49 HA LYS 49 3.309 -4.257 7.798 346 HB2 LYS 49 1HB LYS 49 2.996 -3.239 10.164 347 HB3 LYS 49 2HB LYS 49 4.723 -3.534 10.390 348 HG2 LYS 49 1HG LYS 49 5.194 -2.115 8.383 349 HG3 LYS 49 2HG LYS 49 3.448 -1.895 8.152 350 HD2 LYS 49 1HD LYS 49 3.353 -0.890 10.490 351 HD3 LYS 49 2HD LYS 49 5.129 -0.939 10.508 352 HE2 LYS 49 1HE LYS 49 5.134 0.450 8.411 353 HE3 LYS 49 2HE LYS 49 3.365 0.517 8.487 354 HZ1 LYS 49 3HZ LYS 49 3.570 1.661 10.633 355 HZ2 LYS 49 1HZ LYS 49 4.368 2.494 9.481 356 HZ3 LYS 49 2HZ LYS 49 5.201 1.601 10.560 357 H GLY 50 H GLY 50 5.392 -6.223 9.882 358 HA2 GLY 50 1HA GLY 50 7.852 -5.926 8.434 359 HA3 GLY 50 2HA GLY 50 7.402 -7.288 9.468 360 H HIS 51 H HIS 51 5.054 -8.134 7.934 361 HA HIS 51 HA HIS 51 6.363 -9.641 5.817 362 HB2 HIS 51 1HB HIS 51 3.444 -9.369 6.564 363 HB3 HIS 51 2HB HIS 51 4.095 -10.510 5.385 364 HD1 HIS 51 1HD HIS 51 2.560 -11.739 7.767 365 HD2 HIS 51 2HD HIS 51 6.700 -10.978 7.723 366 HE1 HIS 51 1HE HIS 51 3.589 -13.273 9.521 367 H LEU 52 H LEU 52 4.306 -6.692 5.848 368 HA LEU 52 HA LEU 52 4.148 -6.456 2.990 369 HB2 LEU 52 1HB LEU 52 2.721 -5.080 4.399 370 HB3 LEU 52 2HB LEU 52 4.122 -4.354 5.192 371 HG LEU 52 HG LEU 52 4.824 -3.311 3.041 372 HD11 LEU 52 1HD1 LEU 52 2.164 -4.366 1.982 373 HD12 LEU 52 2HD1 LEU 52 3.775 -4.907 1.447 374 HD13 LEU 52 3HD1 LEU 52 3.284 -3.249 1.171 375 HD21 LEU 52 3HD2 LEU 52 3.358 -2.100 4.660 376 HD22 LEU 52 1HD2 LEU 52 1.963 -2.597 3.662 377 HD23 LEU 52 2HD2 LEU 52 3.222 -1.568 2.974 378 H LYS 53 H LYS 53 6.643 -5.297 5.330 379 HA LYS 53 HA LYS 53 8.384 -4.123 3.386 380 HB2 LYS 53 1HB LYS 53 8.754 -3.655 5.672 381 HB3 LYS 53 2HB LYS 53 8.842 -5.354 6.126 382 HG2 LYS 53 1HG LYS 53 10.951 -5.658 4.975 383 HG3 LYS 53 2HG LYS 53 10.903 -4.017 4.324 384 HD2 LYS 53 1HD LYS 53 10.968 -4.720 7.296 385 HD3 LYS 53 2HD LYS 53 12.409 -4.366 6.326 386 HE2 LYS 53 1HE LYS 53 11.497 -2.105 5.803 387 HE3 LYS 53 2HE LYS 53 10.091 -2.442 6.821 388 HZ1 LYS 53 3HZ LYS 53 12.904 -2.361 7.777 389 HZ2 LYS 53 1HZ LYS 53 11.607 -2.678 8.720 390 HZ3 LYS 53 2HZ LYS 53 11.784 -1.205 8.041 391 H VAL 54 H VAL 54 8.399 -7.515 4.631 392 HA VAL 54 HA VAL 54 10.460 -8.410 2.895 393 HB VAL 54 HB VAL 54 8.132 -9.971 4.083 394 HG11 VAL 54 1HG1 VAL 54 10.633 -10.959 2.633 395 HG12 VAL 54 2HG1 VAL 54 9.629 -11.983 3.692 396 HG13 VAL 54 3HG1 VAL 54 8.936 -11.296 2.224 397 HG21 VAL 54 3HG2 VAL 54 11.071 -9.804 4.875 398 HG22 VAL 54 1HG2 VAL 54 9.753 -8.957 5.704 399 HG23 VAL 54 2HG2 VAL 54 9.789 -10.722 5.704 400 H HIS 55 H HIS 55 6.923 -8.283 2.276 401 HA HIS 55 HA HIS 55 6.930 -9.492 -0.264 402 HB2 HIS 55 1HB HIS 55 4.845 -9.038 0.819 403 HB3 HIS 55 2HB HIS 55 5.183 -7.318 0.942 404 HD1 HIS 55 1HD HIS 55 4.201 -9.897 -1.741 405 HD2 HIS 55 2HD HIS 55 4.531 -5.756 -1.087 406 HE1 HIS 55 1HE HIS 55 3.196 -8.789 -3.789 407 H ILE 56 H ILE 56 7.460 -5.996 0.503 408 HA ILE 56 HA ILE 56 7.931 -5.300 -2.283 409 HB ILE 56 HB ILE 56 8.576 -3.858 0.296 410 HG12 ILE 56 1HG1 ILE 56 6.303 -3.323 -1.658 411 HG13 ILE 56 2HG1 ILE 56 6.116 -4.311 -0.216 412 HG21 ILE 56 1HG2 ILE 56 8.876 -1.832 -1.092 413 HG22 ILE 56 2HG2 ILE 56 10.013 -3.073 -1.600 414 HG23 ILE 56 3HG2 ILE 56 8.548 -2.773 -2.562 415 HD11 ILE 56 3HD1 ILE 56 6.736 -2.416 1.226 416 HD12 ILE 56 1HD1 ILE 56 6.849 -1.366 -0.207 417 HD13 ILE 56 2HD1 ILE 56 5.299 -2.095 0.236 418 H GLU 57 H GLU 57 10.113 -6.139 0.399 419 HA GLU 57 HA GLU 57 12.584 -5.648 -0.974 420 HB2 GLU 57 1HB GLU 57 11.791 -7.461 1.300 421 HB3 GLU 57 2HB GLU 57 13.459 -7.232 0.854 422 HG2 GLU 57 1HG GLU 57 11.807 -4.776 1.493 423 HG3 GLU 57 2HG GLU 57 12.374 -5.836 2.780 424 H ARG 58 H ARG 58 10.363 -8.211 -1.342 425 HA ARG 58 HA ARG 58 12.407 -9.833 -2.842 426 HB2 ARG 58 1HB ARG 58 11.385 -11.804 -2.263 427 HB3 ARG 58 2HB ARG 58 11.229 -10.824 -0.826 428 HG2 ARG 58 1HG ARG 58 8.858 -10.277 -1.549 429 HG3 ARG 58 2HG ARG 58 9.041 -11.502 -2.815 430 HD2 ARG 58 1HD ARG 58 9.392 -12.002 0.162 431 HD3 ARG 58 2HD ARG 58 7.898 -12.310 -0.738 432 HE ARG 58 HE ARG 58 9.920 -13.695 -2.111 433 HH11 ARG 58 2HH1 ARG 58 8.467 -13.922 1.071 434 HH12 ARG 58 1HH1 ARG 58 8.831 -15.619 1.213 435 HH21 ARG 58 2HH2 ARG 58 10.354 -15.857 -1.860 436 HH22 ARG 58 1HH2 ARG 58 9.865 -16.680 -0.409 437 H VAL 59 H VAL 59 9.073 -8.588 -3.154 438 HA VAL 59 HA VAL 59 8.943 -9.695 -5.846 439 HB VAL 59 HB VAL 59 6.858 -8.004 -4.409 440 HG11 VAL 59 1HG1 VAL 59 6.523 -7.990 -6.846 441 HG12 VAL 59 2HG1 VAL 59 6.649 -9.763 -6.886 442 HG13 VAL 59 3HG1 VAL 59 5.291 -8.971 -6.056 443 HG21 VAL 59 3HG2 VAL 59 7.164 -11.029 -4.673 444 HG22 VAL 59 1HG2 VAL 59 7.151 -10.073 -3.171 445 HG23 VAL 59 2HG2 VAL 59 5.683 -10.217 -4.124 446 H HIS 60 H HIS 60 8.887 -6.430 -4.377 447 HA HIS 60 HA HIS 60 9.244 -5.156 -7.024 448 HB2 HIS 60 1HB HIS 60 8.446 -3.912 -4.404 449 HB3 HIS 60 2HB HIS 60 8.365 -3.168 -6.000 450 HD1 HIS 60 1HD HIS 60 6.587 -4.588 -7.757 451 HD2 HIS 60 2HD HIS 60 6.299 -5.076 -3.590 452 HE1 HIS 60 1HE HIS 60 4.275 -5.537 -7.339 453 H LYS 61 H LYS 61 11.440 -6.424 -5.375 454 HA LYS 61 HA LYS 61 13.210 -4.366 -4.475 455 HB2 LYS 61 1HB LYS 61 13.117 -6.763 -3.818 456 HB3 LYS 61 2HB LYS 61 13.708 -7.229 -5.410 457 HG2 LYS 61 1HG LYS 61 15.471 -7.361 -3.806 458 HG3 LYS 61 2HG LYS 61 15.868 -6.071 -4.937 459 HD2 LYS 61 1HD LYS 61 15.599 -4.389 -3.327 460 HD3 LYS 61 2HD LYS 61 14.401 -5.318 -2.399 461 HE2 LYS 61 1HE LYS 61 16.080 -6.869 -1.629 462 HE3 LYS 61 2HE LYS 61 17.338 -6.068 -2.592 463 HZ1 LYS 61 3HZ LYS 61 17.031 -4.075 -1.225 464 HZ2 LYS 61 1HZ LYS 61 17.354 -5.342 -0.244 465 HZ3 LYS 61 2HZ LYS 61 15.822 -4.778 -0.371 466 H LYS 62 H LYS 62 15.150 -3.608 -5.429 467 HA LYS 62 HA LYS 62 16.348 -2.495 -7.008 468 HB2 LYS 62 1HB LYS 62 16.671 -5.023 -7.571 469 HB3 LYS 62 2HB LYS 62 15.792 -4.655 -9.041 470 HG2 LYS 62 1HG LYS 62 18.367 -3.318 -8.074 471 HG3 LYS 62 2HG LYS 62 18.251 -4.612 -9.267 472 HD2 LYS 62 1HD LYS 62 16.875 -3.061 -10.725 473 HD3 LYS 62 2HD LYS 62 17.256 -1.753 -9.576 474 HE2 LYS 62 1HE LYS 62 19.687 -2.201 -9.918 475 HE3 LYS 62 2HE LYS 62 19.283 -3.463 -11.093 476 HZ1 LYS 62 3HZ LYS 62 19.770 -1.381 -12.218 477 HZ2 LYS 62 1HZ LYS 62 18.660 -0.570 -11.332 478 HZ3 LYS 62 2HZ LYS 62 18.180 -1.701 -12.426 479 H ILE 63 H ILE 63 14.539 -0.998 -6.731 480 HA ILE 63 HA ILE 63 13.145 -0.224 -9.248 481 HB ILE 63 HB ILE 63 11.828 -1.829 -7.769 482 HG12 ILE 63 1HG1 ILE 63 10.346 0.774 -8.128 483 HG13 ILE 63 2HG1 ILE 63 10.883 -0.199 -9.506 484 HG21 ILE 63 1HG2 ILE 63 12.445 -0.939 -5.572 485 HG22 ILE 63 2HG2 ILE 63 11.656 0.609 -5.933 486 HG23 ILE 63 3HG2 ILE 63 10.694 -0.848 -5.775 487 HD11 ILE 63 3HD1 ILE 63 9.046 -1.198 -7.286 488 HD12 ILE 63 1HD1 ILE 63 8.557 -0.729 -8.921 489 HD13 ILE 63 2HD1 ILE 63 9.601 -2.142 -8.681 490 H LYS 64 H LYS 64 11.996 1.847 -8.954 491 HA LYS 64 HA LYS 64 13.616 4.008 -7.880 492 HB2 LYS 64 1HB LYS 64 10.691 3.976 -8.757 493 HB3 LYS 64 2HB LYS 64 11.637 5.426 -8.394 494 HG2 LYS 64 1HG LYS 64 13.194 4.888 -10.237 495 HG3 LYS 64 2HG LYS 64 12.248 3.443 -10.633 496 HD2 LYS 64 1HD LYS 64 10.272 4.869 -11.102 497 HD3 LYS 64 2HD LYS 64 11.228 6.317 -10.711 498 HE2 LYS 64 1HE LYS 64 12.825 5.751 -12.532 499 HE3 LYS 64 2HE LYS 64 11.876 4.310 -12.921 500 HZ1 LYS 64 3HZ LYS 64 11.303 6.163 -14.381 501 HZ2 LYS 64 1HZ LYS 64 10.879 7.105 -13.120 502 HZ3 LYS 64 2HZ LYS 64 10.003 5.772 -13.477 503 H GLN 65 H GLN 65 13.499 5.089 -5.961 504 HA GLN 65 HA GLN 65 11.644 4.075 -3.819 505 HB2 GLN 65 1HB GLN 65 14.690 4.161 -3.902 506 HB3 GLN 65 2HB GLN 65 13.818 4.048 -2.380 507 HG2 GLN 65 1HG GLN 65 13.489 2.056 -4.622 508 HG3 GLN 65 2HG GLN 65 14.614 1.888 -3.282 509 HE21 GLN 65 1HE2 GLN 65 12.933 -0.189 -3.429 510 HE22 GLN 65 2HE2 GLN 65 11.654 -0.044 -2.235 511 H HIS 66 H HIS 66 12.199 5.267 -1.669 512 HA HIS 66 HA HIS 66 13.017 8.060 -2.080 513 HB2 HIS 66 1HB HIS 66 11.281 8.985 -0.719 514 HB3 HIS 66 2HB HIS 66 10.551 8.110 -2.057 515 HD1 HIS 66 1HD HIS 66 9.114 5.896 -1.384 516 HD2 HIS 66 2HD HIS 66 10.891 8.029 1.781 517 HE1 HIS 66 1HE HIS 66 8.066 4.999 0.761 518 H CYS 67 H CYS 67 14.100 9.004 -0.383 519 HA CYS 67 HA CYS 67 15.601 7.286 1.321 520 HB2 CYS 67 1HB CYS 67 16.432 9.352 0.299 521 HB3 CYS 67 2HB CYS 67 15.263 10.302 1.216 522 H ARG 68 H ARG 68 15.357 6.613 3.313 523 HA ARG 68 HA ARG 68 12.930 7.273 4.827 524 HB2 ARG 68 1HB ARG 68 13.424 5.445 6.233 525 HB3 ARG 68 2HB ARG 68 13.756 4.965 4.586 526 HG2 ARG 68 1HG ARG 68 15.578 4.049 5.598 527 HG3 ARG 68 2HG ARG 68 16.259 5.605 5.154 528 HD2 ARG 68 1HD ARG 68 16.945 5.053 7.379 529 HD3 ARG 68 2HD ARG 68 15.848 6.408 7.517 530 HE ARG 68 HE ARG 68 15.346 3.550 8.242 531 HH11 ARG 68 2HH1 ARG 68 14.031 6.822 8.408 532 HH12 ARG 68 1HH1 ARG 68 13.018 6.404 9.763 533 HH21 ARG 68 2HH2 ARG 68 13.974 3.117 9.903 534 HH22 ARG 68 1HH2 ARG 68 12.952 4.369 10.544 535 H PHE 69 H PHE 69 15.784 8.884 4.589 536 HA PHE 69 HA PHE 69 15.597 9.961 7.387 537 HB2 PHE 69 1HB PHE 69 17.865 10.145 5.409 538 HB3 PHE 69 2HB PHE 69 17.875 10.755 7.049 539 HD1 PHE 69 2HD PHE 69 17.961 9.156 8.986 540 HD2 PHE 69 1HD PHE 69 18.323 7.838 4.896 541 HE1 PHE 69 2HE PHE 69 19.036 7.053 9.758 542 HE2 PHE 69 1HE PHE 69 19.414 5.741 5.671 543 HZ PHE 69 HZ PHE 69 19.786 5.355 8.099 544 H CYS 70 H CYS 70 15.681 10.928 3.926 545 HA CYS 70 HA CYS 70 14.750 13.626 4.731 546 HB2 CYS 70 1HB CYS 70 16.241 14.776 3.412 547 HB3 CYS 70 2HB CYS 70 17.141 13.684 4.450 548 H LYS 71 H LYS 71 13.544 11.149 3.294 549 HA LYS 71 HA LYS 71 11.906 10.696 1.825 550 HB2 LYS 71 1HB LYS 71 11.060 13.535 2.461 551 HB3 LYS 71 2HB LYS 71 10.032 12.241 1.829 552 HG2 LYS 71 1HG LYS 71 10.579 10.866 3.875 553 HG3 LYS 71 2HG LYS 71 11.433 12.274 4.543 554 HD2 LYS 71 1HD LYS 71 9.340 13.607 4.394 555 HD3 LYS 71 2HD LYS 71 8.505 12.178 3.740 556 HE2 LYS 71 1HE LYS 71 9.027 10.921 5.817 557 HE3 LYS 71 2HE LYS 71 9.863 12.336 6.469 558 HZ1 LYS 71 3HZ LYS 71 7.743 13.542 6.388 559 HZ2 LYS 71 1HZ LYS 71 7.584 12.197 7.296 560 HZ3 LYS 71 2HZ LYS 71 6.970 12.233 5.786 561 H LYS 72 H LYS 72 14.265 12.407 0.646 562 HA LYS 72 HA LYS 72 13.510 13.357 -1.933 563 HB2 LYS 72 1HB LYS 72 15.987 12.273 -0.587 564 HB3 LYS 72 2HB LYS 72 16.000 12.613 -2.353 565 HG2 LYS 72 1HG LYS 72 15.243 14.940 -1.866 566 HG3 LYS 72 2HG LYS 72 15.282 14.554 -0.136 567 HD2 LYS 72 1HD LYS 72 17.787 13.875 -0.566 568 HD3 LYS 72 2HD LYS 72 17.593 14.703 -2.115 569 HE2 LYS 72 1HE LYS 72 18.531 16.253 -0.550 570 HE3 LYS 72 2HE LYS 72 16.857 16.746 -0.900 571 HZ1 LYS 72 3HZ LYS 72 16.166 15.924 1.203 572 HZ2 LYS 72 1HZ LYS 72 17.547 16.730 1.547 573 HZ3 LYS 72 2HZ LYS 72 17.521 15.078 1.468 574 H LYS 73 H LYS 73 13.036 12.298 -3.829 575 HA LYS 73 HA LYS 73 12.850 9.352 -3.834 576 HB2 LYS 73 1HB LYS 73 11.954 11.478 -5.791 577 HB3 LYS 73 2HB LYS 73 11.916 9.747 -6.177 578 HG2 LYS 73 1HG LYS 73 10.449 9.269 -4.299 579 HG3 LYS 73 2HG LYS 73 10.601 10.913 -3.695 580 HD2 LYS 73 1HD LYS 73 8.447 10.676 -4.788 581 HD3 LYS 73 2HD LYS 73 9.457 11.795 -5.691 582 HE2 LYS 73 1HE LYS 73 8.304 10.428 -7.275 583 HE3 LYS 73 2HE LYS 73 10.005 9.972 -7.321 584 HZ1 LYS 73 3HZ LYS 73 8.528 8.030 -7.293 585 HZ2 LYS 73 1HZ LYS 73 7.872 8.484 -5.871 586 HZ3 LYS 73 2HZ LYS 73 9.443 8.028 -5.941 587 H TYR 74 H TYR 74 13.963 7.931 -5.026 588 HA TYR 74 HA TYR 74 16.364 8.908 -6.523 589 HB2 TYR 74 1HB TYR 74 16.168 7.012 -4.202 590 HB3 TYR 74 2HB TYR 74 17.322 6.647 -5.479 591 HD1 TYR 74 1HD TYR 74 16.359 9.289 -2.994 592 HD2 TYR 74 2HD TYR 74 19.323 7.852 -5.773 593 HE1 TYR 74 1HE TYR 74 17.861 11.181 -2.364 594 HE2 TYR 74 2HE TYR 74 20.818 9.759 -5.161 595 HH TYR 74 HH TYR 74 19.805 12.294 -2.852 596 H SER 75 H SER 75 16.654 8.123 -8.458 597 HA SER 75 HA SER 75 14.649 6.614 -9.756 598 HB2 SER 75 1HB SER 75 17.465 7.222 -10.726 599 HB3 SER 75 2HB SER 75 16.064 6.805 -11.729 600 HG SER 75 HG SER 75 16.416 9.079 -11.630 601 H ASP 76 H ASP 76 17.312 5.422 -7.973 602 HA ASP 76 HA ASP 76 16.514 2.687 -8.601 603 HB2 ASP 76 1HB ASP 76 18.539 3.377 -10.138 604 HB3 ASP 76 2HB ASP 76 19.490 3.309 -8.665 605 H VAL 77 H VAL 77 16.647 1.423 -6.743 606 HA VAL 77 HA VAL 77 17.186 2.523 -4.198 607 HB VAL 77 HB VAL 77 15.919 0.421 -4.659 608 HG11 VAL 77 1HG1 VAL 77 18.619 -0.983 -4.731 609 HG12 VAL 77 2HG1 VAL 77 17.013 -1.716 -4.813 610 HG13 VAL 77 3HG1 VAL 77 17.591 -0.708 -6.156 611 HG21 VAL 77 3HG2 VAL 77 16.653 1.081 -2.369 612 HG22 VAL 77 1HG2 VAL 77 16.525 -0.674 -2.579 613 HG23 VAL 77 2HG2 VAL 77 18.120 0.105 -2.577 614 H LYS 78 H LYS 78 19.477 0.923 -6.463 615 HA LYS 78 HA LYS 78 21.683 0.719 -4.630 616 HB2 LYS 78 1HB LYS 78 21.630 1.070 -7.659 617 HB3 LYS 78 2HB LYS 78 23.076 0.689 -6.716 618 HG2 LYS 78 1HG LYS 78 22.073 -1.420 -5.935 619 HG3 LYS 78 2HG LYS 78 20.564 -1.045 -6.761 620 HD2 LYS 78 1HD LYS 78 21.798 -2.638 -8.097 621 HD3 LYS 78 2HD LYS 78 21.680 -1.101 -8.944 622 HE2 LYS 78 1HE LYS 78 23.887 -1.961 -9.292 623 HE3 LYS 78 2HE LYS 78 24.020 -0.546 -8.252 624 HZ1 LYS 78 3HZ LYS 78 25.384 -2.401 -7.455 625 HZ2 LYS 78 1HZ LYS 78 24.084 -3.373 -7.318 626 HZ3 LYS 78 2HZ LYS 78 24.241 -2.068 -6.343 627 H ASN 79 H ASN 79 20.605 3.449 -6.639 628 HA ASN 79 HA ASN 79 22.880 5.116 -5.842 629 HB2 ASN 79 1HB ASN 79 20.247 5.751 -7.268 630 HB3 ASN 79 2HB ASN 79 21.534 6.924 -6.988 631 HD21 ASN 79 1HD2 ASN 79 20.816 6.663 -9.539 632 HD22 ASN 79 2HD2 ASN 79 22.025 5.743 -10.422 633 H LEU 80 H LEU 80 19.612 4.534 -4.561 634 HA LEU 80 HA LEU 80 19.651 6.707 -2.690 635 HB2 LEU 80 1HB LEU 80 17.612 5.353 -3.217 636 HB3 LEU 80 2HB LEU 80 18.382 3.961 -2.437 637 HG LEU 80 HG LEU 80 18.398 5.078 -0.280 638 HD11 LEU 80 1HD1 LEU 80 18.489 7.475 -1.132 639 HD12 LEU 80 2HD1 LEU 80 17.339 7.163 0.146 640 HD13 LEU 80 3HD1 LEU 80 16.769 7.315 -1.537 641 HD21 LEU 80 3HD2 LEU 80 15.661 5.176 -1.576 642 HD22 LEU 80 1HD2 LEU 80 16.008 5.022 0.159 643 HD23 LEU 80 2HD2 LEU 80 16.457 3.711 -0.947 644 H ILE 81 H ILE 81 20.900 3.324 -2.470 645 HA ILE 81 HA ILE 81 21.869 3.505 0.201 646 HB ILE 81 HB ILE 81 23.275 1.993 -2.022 647 HG12 ILE 81 1HG1 ILE 81 21.082 1.278 -2.264 648 HG13 ILE 81 2HG1 ILE 81 21.917 0.046 -1.427 649 HG21 ILE 81 1HG2 ILE 81 23.109 1.594 0.987 650 HG22 ILE 81 2HG2 ILE 81 23.873 0.459 -0.150 651 HG23 ILE 81 3HG2 ILE 81 24.535 2.085 0.048 652 HD11 ILE 81 3HD1 ILE 81 19.976 2.021 -0.159 653 HD12 ILE 81 1HD1 ILE 81 19.693 0.300 -0.468 654 HD13 ILE 81 2HD1 ILE 81 20.895 0.792 0.741 655 H LYS 82 H LYS 82 23.480 4.320 -2.885 656 HA LYS 82 HA LYS 82 25.933 5.201 -1.826 657 HB2 LYS 82 1HB LYS 82 25.307 4.758 -4.254 658 HB3 LYS 82 2HB LYS 82 24.440 6.283 -4.268 659 HG2 LYS 82 1HG LYS 82 26.507 6.587 -5.352 660 HG3 LYS 82 2HG LYS 82 26.566 7.507 -3.855 661 HD2 LYS 82 1HD LYS 82 27.649 4.680 -3.897 662 HD3 LYS 82 2HD LYS 82 28.580 5.922 -4.717 663 HE2 LYS 82 1HE LYS 82 27.734 6.141 -1.793 664 HE3 LYS 82 2HE LYS 82 29.275 5.460 -2.328 665 HZ1 LYS 82 3HZ LYS 82 29.443 7.837 -1.756 666 HZ2 LYS 82 1HZ LYS 82 28.362 8.247 -2.843 667 HZ3 LYS 82 2HZ LYS 82 29.802 7.613 -3.348 668 H HIS 83 H HIS 83 22.950 7.102 -2.352 669 HA HIS 83 HA HIS 83 23.865 9.598 -1.252 670 HB2 HIS 83 1HB HIS 83 21.894 9.588 -2.553 671 HB3 HIS 83 2HB HIS 83 21.173 8.264 -1.664 672 HD1 HIS 83 1HD HIS 83 21.898 12.018 -1.133 673 HD2 HIS 83 2HD HIS 83 19.641 8.812 0.377 674 HE1 HIS 83 1HE HIS 83 20.273 13.043 0.523 675 H ILE 84 H ILE 84 22.278 6.814 0.405 676 HA ILE 84 HA ILE 84 22.288 8.067 2.990 677 HB ILE 84 HB ILE 84 22.161 5.192 2.053 678 HG12 ILE 84 1HG1 ILE 84 20.046 6.897 3.438 679 HG13 ILE 84 2HG1 ILE 84 20.265 6.936 1.694 680 HG21 ILE 84 1HG2 ILE 84 23.173 5.085 4.287 681 HG22 ILE 84 2HG2 ILE 84 21.936 6.185 4.930 682 HG23 ILE 84 3HG2 ILE 84 21.499 4.557 4.372 683 HD11 ILE 84 3HD1 ILE 84 19.492 4.497 3.315 684 HD12 ILE 84 1HD1 ILE 84 18.494 5.422 2.170 685 HD13 ILE 84 2HD1 ILE 84 19.900 4.490 1.582 686 H ARG 85 H ARG 85 24.683 5.949 1.432 687 HA ARG 85 HA ARG 85 26.662 6.003 3.512 688 HB2 ARG 85 1HB ARG 85 26.882 5.660 0.491 689 HB3 ARG 85 2HB ARG 85 28.257 5.499 1.588 690 HG2 ARG 85 1HG ARG 85 27.116 3.707 2.818 691 HG3 ARG 85 2HG ARG 85 25.702 3.846 1.780 692 HD2 ARG 85 1HD ARG 85 26.987 1.967 1.031 693 HD3 ARG 85 2HD ARG 85 27.068 3.244 -0.196 694 HE ARG 85 HE ARG 85 29.299 3.406 1.645 695 HH11 ARG 85 2HH1 ARG 85 28.246 1.481 -1.087 696 HH12 ARG 85 1HH1 ARG 85 29.877 1.073 -1.541 697 HH21 ARG 85 2HH2 ARG 85 31.351 2.848 1.007 698 HH22 ARG 85 1HH2 ARG 85 31.583 1.822 -0.378 699 H ASP 86 H ASP 86 25.857 8.509 1.255 700 HA ASP 86 HA ASP 86 28.347 10.033 1.848 701 HB2 ASP 86 1HB ASP 86 26.072 10.507 -0.105 702 HB3 ASP 86 2HB ASP 86 27.392 11.642 0.162 703 H ALA 87 H ALA 87 24.813 10.474 2.225 704 HA ALA 87 HA ALA 87 25.258 13.022 3.680 705 HB1 ALA 87 1HB ALA 87 22.920 13.442 3.091 706 HB2 ALA 87 2HB ALA 87 23.848 12.977 1.651 707 HB3 ALA 87 3HB ALA 87 22.763 11.801 2.431 708 H HIS 88 H HIS 88 24.059 9.767 4.306 709 HA HIS 88 HA HIS 88 23.219 10.559 7.063 710 HB2 HIS 88 1HB HIS 88 21.970 8.430 5.314 711 HB3 HIS 88 2HB HIS 88 21.410 8.996 6.875 712 HD1 HIS 88 1HD HIS 88 20.938 11.987 6.597 713 HD2 HIS 88 2HD HIS 88 20.459 9.253 3.449 714 HE1 HIS 88 1HE HIS 88 19.346 13.097 4.950 715 H ASP 89 H ASP 89 25.823 9.595 6.179 716 HA ASP 89 HA ASP 89 26.281 6.947 6.276 717 HB2 ASP 89 1HB ASP 89 28.597 7.422 6.590 718 HB3 ASP 89 2HB ASP 89 27.876 8.664 5.577 719 HA PRO 90 HA PRO 90 25.694 5.579 10.431 720 HB2 PRO 90 1HB PRO 90 26.673 3.044 10.326 721 HB3 PRO 90 2HB PRO 90 25.235 3.561 9.393 722 HG2 PRO 90 1HG PRO 90 28.107 3.368 8.425 723 HG3 PRO 90 2HG PRO 90 26.632 2.711 7.645 724 HD2 PRO 90 1HD PRO 90 27.730 5.115 6.929 725 HD3 PRO 90 2HD PRO 90 25.961 4.851 6.906 726 H GLN 91 H GLN 91 26.692 5.038 12.407 727 HA GLN 91 HA GLN 91 29.508 5.932 12.658 728 HB2 GLN 91 1HB GLN 91 28.921 6.238 15.076 729 HB3 GLN 91 2HB GLN 91 28.123 7.278 13.919 730 HG2 GLN 91 1HG GLN 91 26.617 6.553 15.721 731 HG3 GLN 91 2HG GLN 91 26.027 6.105 14.130 732 HE21 GLN 91 1HE2 GLN 91 27.766 4.749 17.008 733 HE22 GLN 91 2HE2 GLN 91 27.161 3.118 16.746 734 H ASP 92 H ASP 92 28.224 3.004 12.216 735 HA ASP 92 HA ASP 92 30.414 1.609 13.645 736 HB2 ASP 92 1HB ASP 92 28.472 1.458 15.143 737 HB3 ASP 92 2HB ASP 92 27.483 0.820 13.834 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -5.501 -28.818 -11.052 2 H2 GLY 1 2H GLY 1 -5.528 -30.448 -11.205 3 H3 GLY 1 3H GLY 1 -5.080 -29.516 -12.475 4 HA2 GLY 1 1HA GLY 1 -3.141 -30.535 -11.474 5 HA3 GLY 1 2HA GLY 1 -3.106 -28.768 -11.338 6 H SER 2 H SER 2 -1.854 -30.906 -9.650 7 HA SER 2 HA SER 2 -3.203 -31.369 -7.250 8 HB2 SER 2 1HB SER 2 -0.198 -31.135 -7.645 9 HB3 SER 2 2HB SER 2 -1.035 -32.024 -6.358 10 HG SER 2 HG SER 2 -0.399 -33.402 -8.085 11 H SER 3 H SER 3 -1.570 -28.398 -8.148 12 HA SER 3 HA SER 3 -1.133 -27.272 -5.549 13 HB2 SER 3 1HB SER 3 -1.118 -25.115 -6.817 14 HB3 SER 3 2HB SER 3 -0.047 -26.358 -7.485 15 HG SER 3 HG SER 3 -1.303 -25.305 -9.112 16 H GLY 4 H GLY 4 -4.087 -27.716 -7.385 17 HA2 GLY 4 1HA GLY 4 -5.711 -25.840 -5.814 18 HA3 GLY 4 2HA GLY 4 -6.269 -27.024 -6.996 19 H SER 5 H SER 5 -4.347 -28.786 -5.001 20 HA SER 5 HA SER 5 -4.656 -30.442 -3.548 21 HB2 SER 5 1HB SER 5 -6.843 -28.770 -2.275 22 HB3 SER 5 2HB SER 5 -6.129 -30.239 -1.602 23 HG SER 5 HG SER 5 -4.710 -27.851 -2.247 24 H SER 6 H SER 6 -5.866 -32.319 -3.007 25 HA SER 6 HA SER 6 -7.991 -33.025 -4.931 26 HB2 SER 6 1HB SER 6 -6.207 -34.643 -4.330 27 HB3 SER 6 2HB SER 6 -6.809 -34.657 -2.658 28 HG SER 6 HG SER 6 -7.684 -36.365 -3.963 29 H GLY 7 H GLY 7 -10.144 -32.966 -4.492 30 HA2 GLY 7 1HA GLY 7 -12.119 -32.399 -3.408 31 HA3 GLY 7 2HA GLY 7 -11.404 -33.020 -1.918 32 H LYS 8 H LYS 8 -11.866 -31.460 -0.468 33 HA LYS 8 HA LYS 8 -11.890 -29.489 0.678 34 HB2 LYS 8 1HB LYS 8 -9.193 -29.229 -0.669 35 HB3 LYS 8 2HB LYS 8 -9.740 -28.276 0.716 36 HG2 LYS 8 1HG LYS 8 -10.010 -30.321 2.065 37 HG3 LYS 8 2HG LYS 8 -9.454 -31.307 0.701 38 HD2 LYS 8 1HD LYS 8 -7.275 -30.124 0.718 39 HD3 LYS 8 2HD LYS 8 -7.827 -29.130 2.084 40 HE2 LYS 8 1HE LYS 8 -8.144 -31.197 3.443 41 HE3 LYS 8 2HE LYS 8 -7.563 -32.171 2.085 42 HZ1 LYS 8 3HZ LYS 8 -5.965 -30.104 3.510 43 HZ2 LYS 8 1HZ LYS 8 -5.424 -31.004 2.255 44 HZ3 LYS 8 2HZ LYS 8 -5.785 -31.717 3.677 45 HA PRO 9 HA PRO 9 -13.423 -27.084 -3.055 46 HB2 PRO 9 1HB PRO 9 -16.027 -26.746 -2.113 47 HB3 PRO 9 2HB PRO 9 -15.430 -28.112 -3.083 48 HG2 PRO 9 1HG PRO 9 -15.770 -28.037 -0.111 49 HG3 PRO 9 2HG PRO 9 -16.294 -29.304 -1.261 50 HD2 PRO 9 1HD PRO 9 -13.980 -29.533 0.113 51 HD3 PRO 9 2HD PRO 9 -14.073 -30.040 -1.596 52 H TYR 10 H TYR 10 -13.748 -26.455 0.424 53 HA TYR 10 HA TYR 10 -14.321 -23.625 -0.004 54 HB2 TYR 10 1HB TYR 10 -13.789 -25.214 2.522 55 HB3 TYR 10 2HB TYR 10 -14.320 -23.537 2.456 56 HD1 TYR 10 1HD TYR 10 -15.289 -27.053 1.859 57 HD2 TYR 10 2HD TYR 10 -16.619 -22.954 1.774 58 HE1 TYR 10 1HE TYR 10 -17.637 -27.828 1.750 59 HE2 TYR 10 2HE TYR 10 -18.981 -23.730 1.606 60 HH TYR 10 HH TYR 10 -20.397 -25.537 1.529 61 H LYS 11 H LYS 11 -12.670 -22.459 -0.791 62 HA LYS 11 HA LYS 11 -9.872 -22.770 0.232 63 HB2 LYS 11 1HB LYS 11 -11.009 -21.460 -2.268 64 HB3 LYS 11 2HB LYS 11 -9.383 -21.147 -1.693 65 HG2 LYS 11 1HG LYS 11 -9.147 -22.743 -3.365 66 HG3 LYS 11 2HG LYS 11 -8.849 -23.579 -1.845 67 HD2 LYS 11 1HD LYS 11 -11.069 -24.642 -1.965 68 HD3 LYS 11 2HD LYS 11 -11.494 -23.638 -3.362 69 HE2 LYS 11 1HE LYS 11 -10.947 -25.747 -4.268 70 HE3 LYS 11 2HE LYS 11 -9.567 -24.704 -4.621 71 HZ1 LYS 11 3HZ LYS 11 -9.757 -26.712 -2.442 72 HZ2 LYS 11 1HZ LYS 11 -8.462 -25.713 -2.655 73 HZ3 LYS 11 2HZ LYS 11 -8.805 -26.835 -3.781 74 H CYS 12 H CYS 12 -8.653 -21.045 0.988 75 HA CYS 12 HA CYS 12 -10.068 -18.850 2.258 76 HB2 CYS 12 1HB CYS 12 -8.280 -20.012 3.349 77 HB3 CYS 12 2HB CYS 12 -7.158 -19.622 2.038 78 HA PRO 13 HA PRO 13 -9.368 -16.108 -1.285 79 HB2 PRO 13 1HB PRO 13 -10.385 -13.799 -0.261 80 HB3 PRO 13 2HB PRO 13 -11.419 -15.197 -0.683 81 HG2 PRO 13 1HG PRO 13 -10.389 -14.374 2.040 82 HG3 PRO 13 2HG PRO 13 -12.037 -14.904 1.588 83 HD2 PRO 13 1HD PRO 13 -10.082 -16.577 2.670 84 HD3 PRO 13 2HD PRO 13 -11.417 -17.153 1.630 85 H GLN 14 H GLN 14 -7.738 -16.032 1.749 86 HA GLN 14 HA GLN 14 -6.001 -13.739 0.924 87 HB2 GLN 14 1HB GLN 14 -6.485 -14.779 3.731 88 HB3 GLN 14 2HB GLN 14 -5.592 -13.344 3.234 89 HG2 GLN 14 1HG GLN 14 -7.923 -12.744 2.049 90 HG3 GLN 14 2HG GLN 14 -8.559 -13.865 3.248 91 HE21 GLN 14 1HE2 GLN 14 -9.563 -12.570 4.802 92 HE22 GLN 14 2HE2 GLN 14 -8.779 -11.187 5.549 93 H CYS 15 H CYS 15 -5.891 -17.165 1.799 94 HA CYS 15 HA CYS 15 -3.059 -17.134 0.927 95 HB2 CYS 15 1HB CYS 15 -2.219 -18.351 2.799 96 HB3 CYS 15 2HB CYS 15 -2.997 -16.888 3.383 97 H SER 16 H SER 16 -2.296 -19.663 1.180 98 HA SER 16 HA SER 16 -3.726 -20.968 -0.983 99 HB2 SER 16 1HB SER 16 -1.889 -22.629 -0.816 100 HB3 SER 16 2HB SER 16 -1.322 -20.959 -0.966 101 HG SER 16 HG SER 16 -0.195 -22.129 0.673 102 H TYR 17 H TYR 17 -4.490 -20.968 2.229 103 HA TYR 17 HA TYR 17 -4.896 -23.670 2.938 104 HB2 TYR 17 1HB TYR 17 -4.984 -21.835 4.510 105 HB3 TYR 17 2HB TYR 17 -6.361 -21.123 3.693 106 HD1 TYR 17 1HD TYR 17 -5.169 -23.930 5.821 107 HD2 TYR 17 2HD TYR 17 -8.643 -22.000 4.133 108 HE1 TYR 17 1HE TYR 17 -6.639 -25.209 7.369 109 HE2 TYR 17 2HE TYR 17 -10.104 -23.257 5.709 110 HH TYR 17 HH TYR 17 -8.767 -25.584 8.086 111 H ALA 18 H ALA 18 -6.577 -25.072 2.869 112 HA ALA 18 HA ALA 18 -9.153 -24.322 1.801 113 HB1 ALA 18 1HB ALA 18 -7.871 -24.964 -0.263 114 HB2 ALA 18 2HB ALA 18 -7.624 -26.581 0.430 115 HB3 ALA 18 3HB ALA 18 -9.270 -26.009 0.054 116 H SER 19 H SER 19 -10.827 -25.841 2.301 117 HA SER 19 HA SER 19 -10.155 -28.293 3.804 118 HB2 SER 19 1HB SER 19 -10.338 -26.341 5.454 119 HB3 SER 19 2HB SER 19 -12.060 -26.279 5.042 120 HG SER 19 HG SER 19 -10.554 -28.419 6.185 121 H ALA 20 H ALA 20 -12.128 -29.554 4.352 122 HA ALA 20 HA ALA 20 -14.000 -29.630 2.077 123 HB1 ALA 20 1HB ALA 20 -14.515 -31.874 2.899 124 HB2 ALA 20 2HB ALA 20 -12.762 -31.658 2.736 125 HB3 ALA 20 3HB ALA 20 -13.522 -31.592 4.345 126 H ILE 21 H ILE 21 -14.062 -28.033 4.969 127 HA ILE 21 HA ILE 21 -17.030 -28.263 5.295 128 HB ILE 21 HB ILE 21 -14.896 -28.236 7.458 129 HG12 ILE 21 1HG1 ILE 21 -16.834 -30.431 6.593 130 HG13 ILE 21 2HG1 ILE 21 -15.085 -30.437 6.371 131 HG21 ILE 21 1HG2 ILE 21 -17.930 -28.340 7.757 132 HG22 ILE 21 2HG2 ILE 21 -16.741 -28.446 9.078 133 HG23 ILE 21 3HG2 ILE 21 -16.876 -26.967 8.174 134 HD11 ILE 21 3HD1 ILE 21 -15.546 -31.882 8.186 135 HD12 ILE 21 1HD1 ILE 21 -14.798 -30.424 8.867 136 HD13 ILE 21 2HD1 ILE 21 -16.557 -30.688 9.006 137 H LYS 22 H LYS 22 -18.103 -26.378 5.420 138 HA LYS 22 HA LYS 22 -16.869 -23.857 4.898 139 HB2 LYS 22 1HB LYS 22 -19.183 -24.519 4.325 140 HB3 LYS 22 2HB LYS 22 -19.641 -24.399 6.029 141 HG2 LYS 22 1HG LYS 22 -19.240 -22.022 6.063 142 HG3 LYS 22 2HG LYS 22 -18.328 -22.083 4.552 143 HD2 LYS 22 1HD LYS 22 -20.500 -21.099 4.148 144 HD3 LYS 22 2HD LYS 22 -20.314 -22.609 3.275 145 HE2 LYS 22 1HE LYS 22 -22.541 -22.575 4.100 146 HE3 LYS 22 2HE LYS 22 -21.665 -23.787 5.032 147 HZ1 LYS 22 3HZ LYS 22 -23.048 -22.351 6.440 148 HZ2 LYS 22 1HZ LYS 22 -22.253 -21.015 5.951 149 HZ3 LYS 22 2HZ LYS 22 -21.482 -22.153 6.842 150 H ALA 23 H ALA 23 -17.982 -25.231 7.999 151 HA ALA 23 HA ALA 23 -17.401 -22.990 9.643 152 HB1 ALA 23 1HB ALA 23 -17.328 -25.957 10.343 153 HB2 ALA 23 2HB ALA 23 -17.473 -24.605 11.482 154 HB3 ALA 23 3HB ALA 23 -18.779 -24.925 10.328 155 H ASN 24 H ASN 24 -15.192 -25.537 8.429 156 HA ASN 24 HA ASN 24 -12.929 -24.714 10.044 157 HB2 ASN 24 1HB ASN 24 -13.156 -26.297 7.442 158 HB3 ASN 24 2HB ASN 24 -11.647 -25.996 8.267 159 HD21 ASN 24 1HD2 ASN 24 -12.115 -28.492 7.819 160 HD22 ASN 24 2HD2 ASN 24 -12.584 -29.333 9.303 161 H LEU 25 H LEU 25 -14.101 -23.765 6.758 162 HA LEU 25 HA LEU 25 -11.921 -21.931 6.336 163 HB2 LEU 25 1HB LEU 25 -13.275 -22.730 4.485 164 HB3 LEU 25 2HB LEU 25 -14.720 -21.969 5.161 165 HG LEU 25 HG LEU 25 -13.724 -19.734 4.861 166 HD11 LEU 25 1HD1 LEU 25 -11.674 -19.441 3.530 167 HD12 LEU 25 2HD1 LEU 25 -11.374 -21.194 3.565 168 HD13 LEU 25 3HD1 LEU 25 -11.310 -20.229 5.057 169 HD21 LEU 25 3HD2 LEU 25 -15.054 -20.778 3.038 170 HD22 LEU 25 1HD2 LEU 25 -13.541 -21.368 2.308 171 HD23 LEU 25 2HD2 LEU 25 -13.843 -19.629 2.445 172 H ASN 26 H ASN 26 -15.215 -21.398 7.752 173 HA ASN 26 HA ASN 26 -14.966 -18.651 8.338 174 HB2 ASN 26 1HB ASN 26 -16.166 -20.819 10.133 175 HB3 ASN 26 2HB ASN 26 -16.443 -19.099 10.302 176 HD21 ASN 26 1HD2 ASN 26 -18.425 -20.877 10.210 177 HD22 ASN 26 2HD2 ASN 26 -19.385 -20.580 8.754 178 H VAL 27 H VAL 27 -13.879 -21.416 10.372 179 HA VAL 27 HA VAL 27 -12.911 -19.745 12.461 180 HB VAL 27 HB VAL 27 -13.476 -22.350 12.312 181 HG11 VAL 27 1HG1 VAL 27 -11.623 -23.795 12.726 182 HG12 VAL 27 2HG1 VAL 27 -11.513 -23.121 11.110 183 HG13 VAL 27 3HG1 VAL 27 -10.460 -22.493 12.403 184 HG21 VAL 27 3HG2 VAL 27 -13.312 -20.956 14.294 185 HG22 VAL 27 1HG2 VAL 27 -12.462 -22.488 14.573 186 HG23 VAL 27 2HG2 VAL 27 -11.522 -21.013 14.195 187 H HIS 28 H HIS 28 -11.326 -21.142 9.688 188 HA HIS 28 HA HIS 28 -8.679 -20.433 10.326 189 HB2 HIS 28 1HB HIS 28 -9.235 -22.048 8.638 190 HB3 HIS 28 2HB HIS 28 -10.138 -20.874 7.690 191 HD1 HIS 28 1HD HIS 28 -6.484 -21.789 8.355 192 HD2 HIS 28 2HD HIS 28 -8.868 -19.133 6.142 193 HE1 HIS 28 1HE HIS 28 -4.886 -20.513 6.842 194 H LEU 29 H LEU 29 -11.177 -18.554 8.575 195 HA LEU 29 HA LEU 29 -9.553 -16.396 7.704 196 HB2 LEU 29 1HB LEU 29 -12.491 -16.539 8.460 197 HB3 LEU 29 2HB LEU 29 -11.782 -15.131 7.687 198 HG LEU 29 HG LEU 29 -11.622 -17.881 6.427 199 HD11 LEU 29 1HD1 LEU 29 -13.748 -15.731 5.995 200 HD12 LEU 29 2HD1 LEU 29 -14.009 -17.310 6.767 201 HD13 LEU 29 3HD1 LEU 29 -13.580 -17.229 5.053 202 HD21 LEU 29 3HD2 LEU 29 -11.397 -15.081 5.274 203 HD22 LEU 29 1HD2 LEU 29 -11.421 -16.594 4.348 204 HD23 LEU 29 2HD2 LEU 29 -10.082 -16.276 5.453 205 H ARG 30 H ARG 30 -10.716 -17.061 10.891 206 HA ARG 30 HA ARG 30 -10.738 -14.508 12.091 207 HB2 ARG 30 1HB ARG 30 -9.846 -17.161 13.307 208 HB3 ARG 30 2HB ARG 30 -10.237 -15.712 14.224 209 HG2 ARG 30 1HG ARG 30 -12.568 -15.757 13.361 210 HG3 ARG 30 2HG ARG 30 -12.189 -17.206 12.424 211 HD2 ARG 30 1HD ARG 30 -13.314 -17.917 14.407 212 HD3 ARG 30 2HD ARG 30 -11.615 -18.407 14.533 213 HE ARG 30 HE ARG 30 -12.082 -15.826 15.771 214 HH11 ARG 30 2HH1 ARG 30 -12.532 -19.239 16.435 215 HH12 ARG 30 1HH1 ARG 30 -12.494 -18.999 18.160 216 HH21 ARG 30 2HH2 ARG 30 -12.034 -15.596 17.978 217 HH22 ARG 30 1HH2 ARG 30 -12.224 -16.988 19.003 218 H LYS 31 H LYS 31 -7.913 -16.476 11.269 219 HA LYS 31 HA LYS 31 -6.030 -14.831 12.769 220 HB2 LYS 31 1HB LYS 31 -4.375 -16.239 12.015 221 HB3 LYS 31 2HB LYS 31 -5.803 -17.268 12.103 222 HG2 LYS 31 1HG LYS 31 -6.038 -16.954 9.565 223 HG3 LYS 31 2HG LYS 31 -4.515 -16.074 9.603 224 HD2 LYS 31 1HD LYS 31 -4.038 -18.329 8.943 225 HD3 LYS 31 2HD LYS 31 -3.377 -18.062 10.561 226 HE2 LYS 31 1HE LYS 31 -5.490 -19.160 11.493 227 HE3 LYS 31 2HE LYS 31 -5.947 -19.549 9.834 228 HZ1 LYS 31 3HZ LYS 31 -4.755 -21.395 10.911 229 HZ2 LYS 31 1HZ LYS 31 -3.465 -20.455 11.221 230 HZ3 LYS 31 2HZ LYS 31 -3.833 -20.832 9.680 231 H HIS 32 H HIS 32 -7.471 -14.483 9.708 232 HA HIS 32 HA HIS 32 -5.485 -12.568 8.675 233 HB2 HIS 32 1HB HIS 32 -8.055 -13.580 7.427 234 HB3 HIS 32 2HB HIS 32 -6.828 -12.581 6.658 235 HD1 HIS 32 1HD HIS 32 -4.183 -14.027 7.041 236 HD2 HIS 32 2HD HIS 32 -7.866 -15.932 6.377 237 HE1 HIS 32 1HE HIS 32 -3.615 -16.286 6.044 238 H THR 33 H THR 33 -7.078 -11.898 11.106 239 HA THR 33 HA THR 33 -8.536 -9.459 10.185 240 HB THR 33 HB THR 33 -9.539 -9.374 12.394 241 HG1 THR 33 1HG THR 33 -8.591 -11.962 12.942 242 HG21 THR 33 3HG2 THR 33 -11.024 -11.302 12.202 243 HG22 THR 33 1HG2 THR 33 -9.898 -12.087 11.065 244 HG23 THR 33 2HG2 THR 33 -10.703 -10.571 10.616 245 H GLY 34 H GLY 34 -8.337 -7.540 11.576 246 HA2 GLY 34 1HA GLY 34 -7.022 -6.254 13.195 247 HA3 GLY 34 2HA GLY 34 -5.602 -7.171 12.711 248 H GLU 35 H GLU 35 -4.551 -5.093 12.346 249 HA GLU 35 HA GLU 35 -5.597 -3.197 10.436 250 HB2 GLU 35 1HB GLU 35 -4.105 -2.589 12.341 251 HB3 GLU 35 2HB GLU 35 -2.783 -3.457 11.557 252 HG2 GLU 35 1HG GLU 35 -2.563 -1.069 11.178 253 HG3 GLU 35 2HG GLU 35 -2.859 -1.880 9.648 254 H LYS 36 H LYS 36 -5.183 -2.744 8.418 255 HA LYS 36 HA LYS 36 -3.872 -4.877 6.774 256 HB2 LYS 36 1HB LYS 36 -6.381 -3.257 6.448 257 HB3 LYS 36 2HB LYS 36 -5.509 -3.789 5.009 258 HG2 LYS 36 1HG LYS 36 -6.081 -5.822 7.186 259 HG3 LYS 36 2HG LYS 36 -7.384 -5.309 6.122 260 HD2 LYS 36 1HD LYS 36 -5.966 -5.877 4.130 261 HD3 LYS 36 2HD LYS 36 -4.679 -6.434 5.217 262 HE2 LYS 36 1HE LYS 36 -6.218 -8.190 6.091 263 HE3 LYS 36 2HE LYS 36 -7.478 -7.613 4.992 264 HZ1 LYS 36 3HZ LYS 36 -4.862 -8.758 4.160 265 HZ2 LYS 36 1HZ LYS 36 -5.942 -8.131 3.119 266 HZ3 LYS 36 2HZ LYS 36 -6.312 -9.480 3.999 267 H PHE 37 H PHE 37 -1.974 -4.309 6.401 268 HA PHE 37 HA PHE 37 -1.269 -1.591 5.442 269 HB2 PHE 37 1HB PHE 37 0.607 -3.945 5.737 270 HB3 PHE 37 2HB PHE 37 0.969 -2.213 5.712 271 HD1 PHE 37 2HD PHE 37 0.510 -0.785 7.686 272 HD2 PHE 37 1HD PHE 37 -0.097 -5.050 7.750 273 HE1 PHE 37 2HE PHE 37 0.358 -0.727 10.144 274 HE2 PHE 37 1HE PHE 37 -0.229 -4.999 10.206 275 HZ PHE 37 HZ PHE 37 -0.133 -2.824 11.426 276 H ALA 38 H ALA 38 -1.573 -1.165 3.353 277 HA ALA 38 HA ALA 38 -1.592 -3.290 1.312 278 HB1 ALA 38 1HB ALA 38 -2.456 -1.548 -0.163 279 HB2 ALA 38 2HB ALA 38 -3.380 -1.571 1.354 280 HB3 ALA 38 3HB ALA 38 -2.155 -0.311 1.073 281 H CYS 39 H CYS 39 -0.236 -3.469 -0.483 282 HA CYS 39 HA CYS 39 2.435 -2.393 -0.294 283 HB2 CYS 39 1HB CYS 39 1.887 -4.566 -1.138 284 HB3 CYS 39 2HB CYS 39 0.874 -3.894 -2.410 285 H ASP 40 H ASP 40 3.430 -0.861 -1.438 286 HA ASP 40 HA ASP 40 1.787 1.330 -2.530 287 HB2 ASP 40 1HB ASP 40 3.705 1.679 -0.930 288 HB3 ASP 40 2HB ASP 40 4.802 1.146 -2.203 289 H TYR 41 H TYR 41 3.042 -1.504 -3.771 290 HA TYR 41 HA TYR 41 3.625 -0.353 -6.486 291 HB2 TYR 41 1HB TYR 41 4.812 -2.787 -5.113 292 HB3 TYR 41 2HB TYR 41 5.156 -2.240 -6.736 293 HD1 TYR 41 2HD TYR 41 5.566 -1.625 -3.143 294 HD2 TYR 41 1HD TYR 41 6.602 -0.249 -7.088 295 HE1 TYR 41 2HE TYR 41 7.390 -0.208 -2.168 296 HE2 TYR 41 1HE TYR 41 8.435 1.153 -6.124 297 HH TYR 41 HH TYR 41 9.094 1.264 -2.602 298 H CYS 42 H CYS 42 1.857 -2.835 -4.733 299 HA CYS 42 HA CYS 42 0.259 -3.282 -7.181 300 HB2 CYS 42 1HB CYS 42 0.188 -5.698 -6.946 301 HB3 CYS 42 2HB CYS 42 1.838 -5.134 -7.235 302 H SER 43 H SER 43 -1.613 -4.967 -6.465 303 HA SER 43 HA SER 43 -3.243 -3.532 -4.521 304 HB2 SER 43 1HB SER 43 -4.998 -5.130 -5.253 305 HB3 SER 43 2HB SER 43 -4.238 -4.250 -6.586 306 HG SER 43 HG SER 43 -4.446 -6.505 -7.025 307 H PHE 44 H PHE 44 -0.841 -5.657 -3.861 308 HA PHE 44 HA PHE 44 -2.000 -7.630 -2.217 309 HB2 PHE 44 1HB PHE 44 0.258 -7.746 -2.942 310 HB3 PHE 44 2HB PHE 44 0.698 -6.272 -2.102 311 HD1 PHE 44 2HD PHE 44 -0.505 -9.780 -1.521 312 HD2 PHE 44 1HD PHE 44 1.604 -6.386 0.093 313 HE1 PHE 44 2HE PHE 44 0.202 -11.141 0.439 314 HE2 PHE 44 1HE PHE 44 2.347 -7.768 2.033 315 HZ PHE 44 HZ PHE 44 1.622 -10.128 2.214 316 H THR 45 H THR 45 -2.307 -7.795 -0.032 317 HA THR 45 HA THR 45 -1.865 -5.517 1.737 318 HB THR 45 HB THR 45 -3.974 -5.740 2.878 319 HG1 THR 45 1HG THR 45 -4.868 -7.275 0.681 320 HG21 THR 45 3HG2 THR 45 -5.409 -4.580 1.269 321 HG22 THR 45 1HG2 THR 45 -4.299 -5.046 -0.054 322 HG23 THR 45 2HG2 THR 45 -3.732 -3.998 1.268 323 H CYS 46 H CYS 46 -1.693 -5.999 3.873 324 HA CYS 46 HA CYS 46 -1.369 -8.887 4.610 325 HB2 CYS 46 1HB CYS 46 0.757 -7.811 3.678 326 HB3 CYS 46 2HB CYS 46 0.747 -6.757 5.100 327 HG CYS 46 HG CYS 46 2.338 -8.416 5.904 328 H LEU 47 H LEU 47 -1.330 -9.355 6.819 329 HA LEU 47 HA LEU 47 -2.529 -7.348 8.633 330 HB2 LEU 47 1HB LEU 47 -2.154 -10.351 8.918 331 HB3 LEU 47 2HB LEU 47 -2.804 -9.304 10.160 332 HG LEU 47 HG LEU 47 -4.637 -10.346 9.224 333 HD11 LEU 47 1HD1 LEU 47 -4.917 -7.896 9.595 334 HD12 LEU 47 2HD1 LEU 47 -6.027 -8.557 8.385 335 HD13 LEU 47 3HD1 LEU 47 -4.608 -7.623 7.871 336 HD21 LEU 47 3HD2 LEU 47 -3.625 -11.105 7.082 337 HD22 LEU 47 1HD2 LEU 47 -3.885 -9.478 6.412 338 HD23 LEU 47 2HD2 LEU 47 -5.267 -10.462 6.908 339 H SER 48 H SER 48 0.530 -8.060 7.754 340 HA SER 48 HA SER 48 1.625 -6.935 10.283 341 HB2 SER 48 1HB SER 48 2.153 -9.279 10.469 342 HB3 SER 48 2HB SER 48 2.738 -9.338 8.793 343 HG SER 48 HG SER 48 4.380 -9.089 10.517 344 H LYS 49 H LYS 49 2.573 -5.157 9.905 345 HA LYS 49 HA LYS 49 3.372 -4.128 7.382 346 HB2 LYS 49 1HB LYS 49 4.779 -2.567 8.916 347 HB3 LYS 49 2HB LYS 49 3.023 -2.449 8.855 348 HG2 LYS 49 1HG LYS 49 2.851 -3.677 10.990 349 HG3 LYS 49 2HG LYS 49 4.619 -3.853 11.043 350 HD2 LYS 49 1HD LYS 49 4.895 -1.432 11.202 351 HD3 LYS 49 2HD LYS 49 3.154 -1.174 10.939 352 HE2 LYS 49 1HE LYS 49 2.627 -2.380 13.013 353 HE3 LYS 49 2HE LYS 49 4.344 -2.700 13.294 354 HZ1 LYS 49 3HZ LYS 49 3.586 -0.772 14.564 355 HZ2 LYS 49 1HZ LYS 49 3.108 0.005 13.212 356 HZ3 LYS 49 2HZ LYS 49 4.695 -0.291 13.470 357 H GLY 50 H GLY 50 5.107 -6.067 9.758 358 HA2 GLY 50 1HA GLY 50 7.765 -5.729 8.643 359 HA3 GLY 50 2HA GLY 50 7.227 -6.951 9.792 360 H HIS 51 H HIS 51 5.090 -8.046 8.034 361 HA HIS 51 HA HIS 51 6.693 -9.611 6.134 362 HB2 HIS 51 1HB HIS 51 4.794 -10.585 7.411 363 HB3 HIS 51 2HB HIS 51 3.702 -9.500 6.543 364 HD1 HIS 51 1HD HIS 51 2.468 -10.915 4.757 365 HD2 HIS 51 2HD HIS 51 6.533 -11.891 5.220 366 HE1 HIS 51 1HE HIS 51 2.980 -12.697 3.000 367 H LEU 52 H LEU 52 4.384 -6.868 5.916 368 HA LEU 52 HA LEU 52 4.293 -6.707 3.079 369 HB2 LEU 52 1HB LEU 52 2.781 -5.443 4.513 370 HB3 LEU 52 2HB LEU 52 4.131 -4.554 5.216 371 HG LEU 52 HG LEU 52 4.617 -3.496 3.028 372 HD11 LEU 52 1HD1 LEU 52 3.716 -5.235 1.498 373 HD12 LEU 52 2HD1 LEU 52 2.974 -3.673 1.214 374 HD13 LEU 52 3HD1 LEU 52 2.071 -4.914 2.106 375 HD21 LEU 52 3HD2 LEU 52 1.712 -3.185 3.781 376 HD22 LEU 52 1HD2 LEU 52 2.773 -1.971 3.049 377 HD23 LEU 52 2HD2 LEU 52 3.051 -2.488 4.725 378 H LYS 53 H LYS 53 6.730 -5.351 5.372 379 HA LYS 53 HA LYS 53 8.462 -4.147 3.461 380 HB2 LYS 53 1HB LYS 53 8.825 -3.816 5.790 381 HB3 LYS 53 2HB LYS 53 8.902 -5.543 6.122 382 HG2 LYS 53 1HG LYS 53 11.053 -5.745 4.950 383 HG3 LYS 53 2HG LYS 53 10.958 -4.054 4.452 384 HD2 LYS 53 1HD LYS 53 12.414 -4.116 6.333 385 HD3 LYS 53 2HD LYS 53 10.876 -3.458 6.938 386 HE2 LYS 53 1HE LYS 53 10.270 -5.701 7.820 387 HE3 LYS 53 2HE LYS 53 11.774 -6.369 7.177 388 HZ1 LYS 53 3HZ LYS 53 12.999 -4.883 8.672 389 HZ2 LYS 53 1HZ LYS 53 11.986 -5.824 9.535 390 HZ3 LYS 53 2HZ LYS 53 11.612 -4.259 9.267 391 H VAL 54 H VAL 54 8.457 -7.565 4.603 392 HA VAL 54 HA VAL 54 10.543 -8.408 2.864 393 HB VAL 54 HB VAL 54 8.273 -10.013 4.112 394 HG11 VAL 54 1HG1 VAL 54 10.755 -10.995 2.638 395 HG12 VAL 54 2HG1 VAL 54 9.749 -12.006 3.704 396 HG13 VAL 54 3HG1 VAL 54 9.055 -11.329 2.234 397 HG21 VAL 54 3HG2 VAL 54 10.019 -10.716 5.682 398 HG22 VAL 54 1HG2 VAL 54 11.220 -9.721 4.822 399 HG23 VAL 54 2HG2 VAL 54 9.873 -8.955 5.690 400 H HIS 55 H HIS 55 6.998 -8.328 2.306 401 HA HIS 55 HA HIS 55 6.977 -9.522 -0.247 402 HB2 HIS 55 1HB HIS 55 4.903 -9.097 0.888 403 HB3 HIS 55 2HB HIS 55 5.240 -7.377 1.021 404 HD1 HIS 55 1HD HIS 55 4.134 -9.927 -1.626 405 HD2 HIS 55 2HD HIS 55 4.587 -5.789 -1.013 406 HE1 HIS 55 1HE HIS 55 3.086 -8.803 -3.645 407 H ILE 56 H ILE 56 7.517 -6.041 0.554 408 HA ILE 56 HA ILE 56 7.918 -5.316 -2.232 409 HB ILE 56 HB ILE 56 8.651 -3.899 0.341 410 HG12 ILE 56 1HG1 ILE 56 6.330 -3.339 -1.559 411 HG13 ILE 56 2HG1 ILE 56 6.167 -4.345 -0.129 412 HG21 ILE 56 1HG2 ILE 56 8.910 -1.875 -1.076 413 HG22 ILE 56 2HG2 ILE 56 10.038 -3.124 -1.590 414 HG23 ILE 56 3HG2 ILE 56 8.559 -2.839 -2.528 415 HD11 ILE 56 3HD1 ILE 56 6.840 -2.474 1.325 416 HD12 ILE 56 1HD1 ILE 56 6.902 -1.404 -0.099 417 HD13 ILE 56 2HD1 ILE 56 5.369 -2.149 0.388 418 H GLU 57 H GLU 57 10.157 -6.191 0.392 419 HA GLU 57 HA GLU 57 12.601 -5.744 -1.056 420 HB2 GLU 57 1HB GLU 57 11.866 -7.481 1.322 421 HB3 GLU 57 2HB GLU 57 13.521 -7.276 0.784 422 HG2 GLU 57 1HG GLU 57 11.854 -4.825 1.434 423 HG3 GLU 57 2HG GLU 57 12.551 -5.822 2.698 424 H ARG 58 H ARG 58 10.345 -8.285 -1.297 425 HA ARG 58 HA ARG 58 12.311 -9.957 -2.854 426 HB2 ARG 58 1HB ARG 58 11.239 -11.892 -2.316 427 HB3 ARG 58 2HB ARG 58 11.109 -10.938 -0.853 428 HG2 ARG 58 1HG ARG 58 8.755 -10.317 -1.563 429 HG3 ARG 58 2HG ARG 58 8.907 -11.511 -2.859 430 HD2 ARG 58 1HD ARG 58 9.222 -12.098 0.108 431 HD3 ARG 58 2HD ARG 58 7.734 -12.351 -0.822 432 HE ARG 58 HE ARG 58 9.771 -13.742 -2.184 433 HH11 ARG 58 2HH1 ARG 58 8.165 -14.022 0.919 434 HH12 ARG 58 1HH1 ARG 58 8.468 -15.734 1.020 435 HH21 ARG 58 2HH2 ARG 58 10.124 -15.927 -1.987 436 HH22 ARG 58 1HH2 ARG 58 9.541 -16.778 -0.588 437 H VAL 59 H VAL 59 9.029 -8.585 -3.164 438 HA VAL 59 HA VAL 59 8.879 -9.677 -5.863 439 HB VAL 59 HB VAL 59 6.829 -7.944 -4.432 440 HG11 VAL 59 1HG1 VAL 59 6.588 -9.724 -6.895 441 HG12 VAL 59 2HG1 VAL 59 5.250 -8.879 -6.084 442 HG13 VAL 59 3HG1 VAL 59 6.514 -7.948 -6.883 443 HG21 VAL 59 3HG2 VAL 59 7.065 -10.976 -4.687 444 HG22 VAL 59 1HG2 VAL 59 7.071 -10.017 -3.188 445 HG23 VAL 59 2HG2 VAL 59 5.603 -10.127 -4.145 446 H HIS 60 H HIS 60 8.952 -6.419 -4.376 447 HA HIS 60 HA HIS 60 9.219 -5.157 -7.039 448 HB2 HIS 60 1HB HIS 60 8.476 -3.896 -4.421 449 HB3 HIS 60 2HB HIS 60 8.342 -3.178 -6.026 450 HD1 HIS 60 1HD HIS 60 6.544 -4.740 -7.712 451 HD2 HIS 60 2HD HIS 60 6.328 -4.992 -3.525 452 HE1 HIS 60 1HE HIS 60 4.242 -5.686 -7.193 453 H LYS 61 H LYS 61 11.465 -6.390 -5.439 454 HA LYS 61 HA LYS 61 13.277 -4.229 -4.747 455 HB2 LYS 61 1HB LYS 61 13.194 -6.421 -3.682 456 HB3 LYS 61 2HB LYS 61 13.755 -7.215 -5.137 457 HG2 LYS 61 1HG LYS 61 15.338 -5.074 -3.629 458 HG3 LYS 61 2HG LYS 61 15.412 -6.777 -3.218 459 HD2 LYS 61 1HD LYS 61 16.382 -5.529 -5.804 460 HD3 LYS 61 2HD LYS 61 17.344 -6.206 -4.496 461 HE2 LYS 61 1HE LYS 61 16.244 -8.445 -4.933 462 HE3 LYS 61 2HE LYS 61 15.464 -7.727 -6.353 463 HZ1 LYS 61 3HZ LYS 61 18.403 -7.931 -5.946 464 HZ2 LYS 61 1HZ LYS 61 17.683 -7.275 -7.261 465 HZ3 LYS 61 2HZ LYS 61 17.523 -8.867 -6.949 466 H LYS 62 H LYS 62 14.680 -3.187 -5.943 467 HA LYS 62 HA LYS 62 15.448 -2.130 -7.765 468 HB2 LYS 62 1HB LYS 62 17.042 -4.154 -7.440 469 HB3 LYS 62 2HB LYS 62 16.297 -4.808 -8.893 470 HG2 LYS 62 1HG LYS 62 18.269 -3.722 -9.604 471 HG3 LYS 62 2HG LYS 62 16.987 -2.595 -10.049 472 HD2 LYS 62 1HD LYS 62 17.478 -1.255 -7.989 473 HD3 LYS 62 2HD LYS 62 18.748 -2.419 -7.558 474 HE2 LYS 62 1HE LYS 62 19.896 -1.903 -9.728 475 HE3 LYS 62 2HE LYS 62 18.653 -0.696 -10.074 476 HZ1 LYS 62 3HZ LYS 62 20.560 0.374 -9.110 477 HZ2 LYS 62 1HZ LYS 62 20.565 -0.616 -7.797 478 HZ3 LYS 62 2HZ LYS 62 19.359 0.473 -8.026 479 H ILE 63 H ILE 63 12.915 -2.199 -7.915 480 HA ILE 63 HA ILE 63 11.838 -2.850 -10.546 481 HB ILE 63 HB ILE 63 10.535 -2.588 -8.422 482 HG12 ILE 63 1HG1 ILE 63 9.554 -0.911 -10.757 483 HG13 ILE 63 2HG1 ILE 63 9.464 -2.671 -10.618 484 HG21 ILE 63 1HG2 ILE 63 10.783 0.410 -8.892 485 HG22 ILE 63 2HG2 ILE 63 9.933 -0.419 -7.570 486 HG23 ILE 63 3HG2 ILE 63 11.689 -0.477 -7.647 487 HD11 ILE 63 3HD1 ILE 63 7.322 -1.745 -10.047 488 HD12 ILE 63 1HD1 ILE 63 8.048 -2.353 -8.545 489 HD13 ILE 63 2HD1 ILE 63 8.041 -0.604 -8.904 490 H LYS 64 H LYS 64 11.172 -1.256 -12.112 491 HA LYS 64 HA LYS 64 13.124 0.907 -12.653 492 HB2 LYS 64 1HB LYS 64 10.714 -0.076 -14.237 493 HB3 LYS 64 2HB LYS 64 11.859 1.162 -14.769 494 HG2 LYS 64 1HG LYS 64 13.720 -0.523 -14.546 495 HG3 LYS 64 2HG LYS 64 12.514 -1.769 -14.223 496 HD2 LYS 64 1HD LYS 64 12.676 -0.091 -16.766 497 HD3 LYS 64 2HD LYS 64 13.294 -1.738 -16.575 498 HE2 LYS 64 1HE LYS 64 10.980 -2.519 -16.010 499 HE3 LYS 64 2HE LYS 64 10.375 -0.886 -16.318 500 HZ1 LYS 64 3HZ LYS 64 11.722 -2.617 -18.324 501 HZ2 LYS 64 1HZ LYS 64 11.179 -1.104 -18.617 502 HZ3 LYS 64 2HZ LYS 64 10.125 -2.301 -18.272 503 H GLN 65 H GLN 65 12.385 3.027 -13.295 504 HA GLN 65 HA GLN 65 10.164 4.127 -11.595 505 HB2 GLN 65 1HB GLN 65 12.983 5.244 -12.028 506 HB3 GLN 65 2HB GLN 65 11.660 6.050 -11.192 507 HG2 GLN 65 1HG GLN 65 12.977 5.252 -9.490 508 HG3 GLN 65 2HG GLN 65 11.569 4.185 -9.554 509 HE21 GLN 65 1HE2 GLN 65 12.781 2.599 -8.350 510 HE22 GLN 65 2HE2 GLN 65 13.834 1.536 -9.285 511 H HIS 66 H HIS 66 9.668 6.457 -12.181 512 HA HIS 66 HA HIS 66 10.369 7.227 -14.922 513 HB2 HIS 66 1HB HIS 66 8.188 7.883 -15.580 514 HB3 HIS 66 2HB HIS 66 8.123 6.191 -15.109 515 HD1 HIS 66 1HD HIS 66 6.665 5.647 -12.857 516 HD2 HIS 66 2HD HIS 66 6.790 9.657 -14.127 517 HE1 HIS 66 1HE HIS 66 4.841 6.865 -11.557 518 H CYS 67 H CYS 67 10.614 9.372 -15.271 519 HA CYS 67 HA CYS 67 10.904 11.209 -13.016 520 HB2 CYS 67 1HB CYS 67 12.456 11.151 -14.907 521 HB3 CYS 67 2HB CYS 67 11.128 11.442 -16.037 522 H ARG 68 H ARG 68 9.363 12.557 -12.264 523 HA ARG 68 HA ARG 68 6.703 12.557 -13.503 524 HB2 ARG 68 1HB ARG 68 5.868 13.643 -11.630 525 HB3 ARG 68 2HB ARG 68 6.992 12.442 -11.043 526 HG2 ARG 68 1HG ARG 68 7.477 15.457 -11.235 527 HG3 ARG 68 2HG ARG 68 7.073 14.561 -9.780 528 HD2 ARG 68 1HD ARG 68 9.657 14.345 -11.366 529 HD3 ARG 68 2HD ARG 68 9.409 15.137 -9.813 530 HE ARG 68 HE ARG 68 8.774 12.234 -9.983 531 HH11 ARG 68 2HH1 ARG 68 10.919 14.666 -8.669 532 HH12 ARG 68 1HH1 ARG 68 11.660 13.538 -7.568 533 HH21 ARG 68 2HH2 ARG 68 9.804 10.842 -8.608 534 HH22 ARG 68 1HH2 ARG 68 11.043 11.434 -7.544 535 H PHE 69 H PHE 69 9.435 14.460 -14.040 536 HA PHE 69 HA PHE 69 7.923 16.908 -14.713 537 HB2 PHE 69 1HB PHE 69 10.876 16.301 -14.909 538 HB3 PHE 69 2HB PHE 69 10.131 17.872 -15.094 539 HD1 PHE 69 2HD PHE 69 8.601 18.620 -12.981 540 HD2 PHE 69 1HD PHE 69 11.852 15.792 -12.843 541 HE1 PHE 69 2HE PHE 69 8.907 19.083 -10.560 542 HE2 PHE 69 1HE PHE 69 12.184 16.288 -10.434 543 HZ PHE 69 HZ PHE 69 10.706 17.932 -9.286 544 H CYS 70 H CYS 70 9.637 14.306 -16.433 545 HA CYS 70 HA CYS 70 8.588 15.351 -19.023 546 HB2 CYS 70 1HB CYS 70 10.639 14.843 -20.136 547 HB3 CYS 70 2HB CYS 70 10.901 16.001 -18.834 548 H LYS 71 H LYS 71 8.257 12.824 -16.996 549 HA LYS 71 HA LYS 71 7.483 10.713 -17.116 550 HB2 LYS 71 1HB LYS 71 6.413 11.421 -19.852 551 HB3 LYS 71 2HB LYS 71 5.832 10.163 -18.768 552 HG2 LYS 71 1HG LYS 71 5.647 13.168 -18.297 553 HG3 LYS 71 2HG LYS 71 4.342 12.077 -18.753 554 HD2 LYS 71 1HD LYS 71 4.577 10.877 -16.572 555 HD3 LYS 71 2HD LYS 71 5.895 11.965 -16.126 556 HE2 LYS 71 1HE LYS 71 3.956 12.763 -15.018 557 HE3 LYS 71 2HE LYS 71 4.360 13.915 -16.292 558 HZ1 LYS 71 3HZ LYS 71 2.583 12.926 -17.648 559 HZ2 LYS 71 1HZ LYS 71 1.974 13.418 -16.220 560 HZ3 LYS 71 2HZ LYS 71 2.239 11.831 -16.482 561 H LYS 72 H LYS 72 10.207 11.270 -18.324 562 HA LYS 72 HA LYS 72 10.763 9.015 -20.055 563 HB2 LYS 72 1HB LYS 72 12.157 11.156 -19.754 564 HB3 LYS 72 2HB LYS 72 12.685 10.504 -18.216 565 HG2 LYS 72 1HG LYS 72 13.707 8.574 -19.304 566 HG3 LYS 72 2HG LYS 72 13.008 9.022 -20.871 567 HD2 LYS 72 1HD LYS 72 14.394 11.010 -21.008 568 HD3 LYS 72 2HD LYS 72 14.977 10.785 -19.352 569 HE2 LYS 72 1HE LYS 72 15.902 8.530 -20.070 570 HE3 LYS 72 2HE LYS 72 15.486 8.952 -21.739 571 HZ1 LYS 72 3HZ LYS 72 17.792 9.515 -21.233 572 HZ2 LYS 72 1HZ LYS 72 17.342 10.451 -19.971 573 HZ3 LYS 72 2HZ LYS 72 16.967 10.900 -21.507 574 H LYS 73 H LYS 73 11.268 6.919 -19.529 575 HA LYS 73 HA LYS 73 11.006 6.077 -16.696 576 HB2 LYS 73 1HB LYS 73 11.030 4.540 -19.298 577 HB3 LYS 73 2HB LYS 73 11.132 3.743 -17.718 578 HG2 LYS 73 1HG LYS 73 9.045 4.745 -16.975 579 HG3 LYS 73 2HG LYS 73 8.895 5.668 -18.468 580 HD2 LYS 73 1HD LYS 73 8.851 2.622 -18.261 581 HD3 LYS 73 2HD LYS 73 7.427 3.668 -18.396 582 HE2 LYS 73 1HE LYS 73 8.305 4.534 -20.581 583 HE3 LYS 73 2HE LYS 73 9.649 3.391 -20.468 584 HZ1 LYS 73 3HZ LYS 73 7.843 2.496 -21.820 585 HZ2 LYS 73 1HZ LYS 73 6.776 2.636 -20.594 586 HZ3 LYS 73 2HZ LYS 73 8.015 1.575 -20.484 587 H TYR 74 H TYR 74 12.475 4.997 -15.522 588 HA TYR 74 HA TYR 74 15.316 5.068 -16.460 589 HB2 TYR 74 1HB TYR 74 14.043 6.381 -14.070 590 HB3 TYR 74 2HB TYR 74 15.654 5.702 -13.894 591 HD1 TYR 74 1HD TYR 74 13.655 8.176 -15.897 592 HD2 TYR 74 2HD TYR 74 17.567 6.697 -14.846 593 HE1 TYR 74 1HE TYR 74 14.697 9.928 -17.325 594 HE2 TYR 74 2HE TYR 74 18.615 8.438 -16.287 595 HH TYR 74 HH TYR 74 18.274 10.084 -17.778 596 H SER 75 H SER 75 16.560 3.395 -16.005 597 HA SER 75 HA SER 75 15.335 0.993 -14.854 598 HB2 SER 75 1HB SER 75 18.076 1.400 -16.092 599 HB3 SER 75 2HB SER 75 17.314 -0.154 -15.702 600 HG SER 75 HG SER 75 17.038 0.429 -17.915 601 H ASP 76 H ASP 76 17.139 3.504 -13.519 602 HA ASP 76 HA ASP 76 17.556 1.961 -11.054 603 HB2 ASP 76 1HB ASP 76 19.757 2.061 -12.476 604 HB3 ASP 76 2HB ASP 76 19.799 3.762 -12.041 605 H VAL 77 H VAL 77 16.982 3.170 -9.292 606 HA VAL 77 HA VAL 77 15.840 5.786 -9.578 607 HB VAL 77 HB VAL 77 15.278 4.142 -7.780 608 HG11 VAL 77 1HG1 VAL 77 16.550 4.020 -5.739 609 HG12 VAL 77 2HG1 VAL 77 17.607 3.530 -7.071 610 HG13 VAL 77 3HG1 VAL 77 17.769 5.150 -6.347 611 HG21 VAL 77 3HG2 VAL 77 16.051 6.915 -6.796 612 HG22 VAL 77 1HG2 VAL 77 14.570 6.503 -7.688 613 HG23 VAL 77 2HG2 VAL 77 14.850 5.826 -6.076 614 H LYS 78 H LYS 78 19.145 4.701 -8.737 615 HA LYS 78 HA LYS 78 20.109 7.287 -7.869 616 HB2 LYS 78 1HB LYS 78 21.629 4.962 -9.130 617 HB3 LYS 78 2HB LYS 78 22.360 6.326 -8.292 618 HG2 LYS 78 1HG LYS 78 20.539 4.230 -7.028 619 HG3 LYS 78 2HG LYS 78 22.293 4.330 -6.888 620 HD2 LYS 78 1HD LYS 78 22.036 6.575 -5.754 621 HD3 LYS 78 2HD LYS 78 20.281 6.373 -5.843 622 HE2 LYS 78 1HE LYS 78 20.900 5.740 -3.651 623 HE3 LYS 78 2HE LYS 78 20.470 4.262 -4.512 624 HZ1 LYS 78 3HZ LYS 78 22.520 4.009 -3.215 625 HZ2 LYS 78 1HZ LYS 78 23.250 5.216 -4.031 626 HZ3 LYS 78 2HZ LYS 78 22.860 3.825 -4.797 627 H ASN 79 H ASN 79 19.808 5.882 -11.105 628 HA ASN 79 HA ASN 79 21.194 8.114 -12.385 629 HB2 ASN 79 1HB ASN 79 19.439 5.868 -13.479 630 HB3 ASN 79 2HB ASN 79 20.244 7.073 -14.484 631 HD21 ASN 79 1HD2 ASN 79 20.851 4.577 -15.129 632 HD22 ASN 79 2HD2 ASN 79 22.455 4.159 -14.542 633 H LEU 80 H LEU 80 17.803 7.400 -11.567 634 HA LEU 80 HA LEU 80 16.622 9.580 -12.977 635 HB2 LEU 80 1HB LEU 80 15.376 7.682 -11.951 636 HB3 LEU 80 2HB LEU 80 15.819 8.294 -10.349 637 HG LEU 80 HG LEU 80 14.526 10.340 -10.701 638 HD11 LEU 80 1HD1 LEU 80 12.980 10.526 -12.600 639 HD12 LEU 80 2HD1 LEU 80 13.670 9.062 -13.336 640 HD13 LEU 80 3HD1 LEU 80 14.646 10.540 -13.169 641 HD21 LEU 80 3HD2 LEU 80 12.308 9.300 -10.600 642 HD22 LEU 80 1HD2 LEU 80 13.489 8.339 -9.686 643 HD23 LEU 80 2HD2 LEU 80 12.972 7.808 -11.301 644 H ILE 81 H ILE 81 18.093 9.424 -9.678 645 HA ILE 81 HA ILE 81 17.468 12.085 -8.919 646 HB ILE 81 HB ILE 81 20.034 10.663 -8.149 647 HG12 ILE 81 1HG1 ILE 81 18.448 9.054 -7.667 648 HG13 ILE 81 2HG1 ILE 81 18.832 9.803 -6.178 649 HG21 ILE 81 1HG2 ILE 81 18.343 12.788 -6.773 650 HG22 ILE 81 2HG2 ILE 81 19.759 11.986 -6.057 651 HG23 ILE 81 3HG2 ILE 81 19.955 13.005 -7.486 652 HD11 ILE 81 3HD1 ILE 81 16.715 11.144 -6.278 653 HD12 ILE 81 1HD1 ILE 81 16.283 10.281 -7.774 654 HD13 ILE 81 2HD1 ILE 81 16.443 9.393 -6.250 655 H LYS 82 H LYS 82 20.527 10.887 -10.487 656 HA LYS 82 HA LYS 82 21.674 13.386 -10.945 657 HB2 LYS 82 1HB LYS 82 22.742 11.151 -11.162 658 HB3 LYS 82 2HB LYS 82 21.828 10.841 -12.654 659 HG2 LYS 82 1HG LYS 82 22.911 12.701 -13.782 660 HG3 LYS 82 2HG LYS 82 23.600 13.265 -12.249 661 HD2 LYS 82 1HD LYS 82 24.679 10.761 -12.323 662 HD3 LYS 82 2HD LYS 82 24.518 11.049 -14.067 663 HE2 LYS 82 1HE LYS 82 25.696 12.969 -12.035 664 HE3 LYS 82 2HE LYS 82 26.690 11.834 -12.967 665 HZ1 LYS 82 3HZ LYS 82 25.010 13.998 -14.180 666 HZ2 LYS 82 1HZ LYS 82 25.962 12.956 -15.006 667 HZ3 LYS 82 2HZ LYS 82 26.635 14.057 -14.008 668 H HIS 83 H HIS 83 19.390 11.624 -13.094 669 HA HIS 83 HA HIS 83 19.306 13.505 -15.216 670 HB2 HIS 83 1HB HIS 83 18.287 11.363 -15.461 671 HB3 HIS 83 2HB HIS 83 17.270 11.581 -14.049 672 HD1 HIS 83 1HD HIS 83 17.550 12.974 -17.641 673 HD2 HIS 83 2HD HIS 83 14.920 12.674 -14.377 674 HE1 HIS 83 1HE HIS 83 15.316 13.826 -18.485 675 H ILE 84 H ILE 84 17.331 13.494 -12.187 676 HA ILE 84 HA ILE 84 15.960 15.947 -12.836 677 HB ILE 84 HB ILE 84 16.448 14.459 -10.250 678 HG12 ILE 84 1HG1 ILE 84 13.846 14.850 -11.780 679 HG13 ILE 84 2HG1 ILE 84 14.945 13.524 -12.140 680 HG21 ILE 84 1HG2 ILE 84 16.150 16.832 -9.634 681 HG22 ILE 84 2HG2 ILE 84 14.726 16.953 -10.681 682 HG23 ILE 84 3HG2 ILE 84 14.694 15.939 -9.223 683 HD11 ILE 84 3HD1 ILE 84 14.803 12.728 -9.807 684 HD12 ILE 84 1HD1 ILE 84 13.593 13.987 -9.466 685 HD13 ILE 84 2HD1 ILE 84 13.239 12.718 -10.658 686 H ARG 85 H ARG 85 18.900 15.336 -10.878 687 HA ARG 85 HA ARG 85 19.416 18.085 -10.225 688 HB2 ARG 85 1HB ARG 85 21.267 15.672 -10.428 689 HB3 ARG 85 2HB ARG 85 21.777 17.256 -9.833 690 HG2 ARG 85 1HG ARG 85 20.060 17.168 -8.053 691 HG3 ARG 85 2HG ARG 85 19.545 15.579 -8.607 692 HD2 ARG 85 1HD ARG 85 20.981 15.250 -6.726 693 HD3 ARG 85 2HD ARG 85 21.849 14.704 -8.172 694 HE ARG 85 HE ARG 85 22.484 17.454 -7.619 695 HH11 ARG 85 2HH1 ARG 85 23.199 14.286 -6.306 696 HH12 ARG 85 1HH1 ARG 85 24.719 14.809 -5.633 697 HH21 ARG 85 2HH2 ARG 85 24.437 18.052 -6.745 698 HH22 ARG 85 1HH2 ARG 85 25.392 16.888 -5.877 699 H ASP 86 H ASP 86 20.179 16.361 -13.173 700 HA ASP 86 HA ASP 86 21.864 18.603 -14.152 701 HB2 ASP 86 1HB ASP 86 21.269 15.848 -15.269 702 HB3 ASP 86 2HB ASP 86 22.202 17.069 -16.123 703 H ALA 87 H ALA 87 18.696 17.130 -14.992 704 HA ALA 87 HA ALA 87 18.387 19.114 -17.190 705 HB1 ALA 87 1HB ALA 87 16.769 17.568 -18.091 706 HB2 ALA 87 2HB ALA 87 18.255 16.684 -17.690 707 HB3 ALA 87 3HB ALA 87 16.828 16.569 -16.630 708 H HIS 88 H HIS 88 16.966 18.373 -14.049 709 HA HIS 88 HA HIS 88 14.817 20.391 -14.512 710 HB2 HIS 88 1HB HIS 88 14.660 17.870 -12.840 711 HB3 HIS 88 2HB HIS 88 13.374 19.021 -13.136 712 HD1 HIS 88 1HD HIS 88 13.168 19.244 -16.191 713 HD2 HIS 88 2HD HIS 88 14.142 15.719 -14.125 714 HE1 HIS 88 1HE HIS 88 12.553 17.335 -17.751 715 H ASP 89 H ASP 89 17.550 20.671 -13.340 716 HA ASP 89 HA ASP 89 17.748 20.705 -10.676 717 HB2 ASP 89 1HB ASP 89 19.564 22.237 -10.882 718 HB3 ASP 89 2HB ASP 89 19.560 21.100 -12.220 719 HA PRO 90 HA PRO 90 15.113 23.835 -8.809 720 HB2 PRO 90 1HB PRO 90 17.428 23.934 -6.861 721 HB3 PRO 90 2HB PRO 90 15.671 23.898 -6.513 722 HG2 PRO 90 1HG PRO 90 17.148 21.636 -6.314 723 HG3 PRO 90 2HG PRO 90 15.529 21.588 -7.088 724 HD2 PRO 90 1HD PRO 90 18.244 21.600 -8.432 725 HD3 PRO 90 2HD PRO 90 16.751 20.711 -8.837 726 H GLN 91 H GLN 91 15.068 26.053 -8.150 727 HA GLN 91 HA GLN 91 15.380 28.251 -8.409 728 HB2 GLN 91 1HB GLN 91 18.330 27.667 -8.051 729 HB3 GLN 91 2HB GLN 91 17.535 29.211 -7.788 730 HG2 GLN 91 1HG GLN 91 17.018 26.676 -6.172 731 HG3 GLN 91 2HG GLN 91 18.049 28.009 -5.692 732 HE21 GLN 91 1HE2 GLN 91 16.074 27.296 -3.943 733 HE22 GLN 91 2HE2 GLN 91 14.813 28.523 -3.957 734 H ASP 92 H ASP 92 15.216 26.824 -10.866 735 HA ASP 92 HA ASP 92 16.819 28.122 -12.904 736 HB2 ASP 92 1HB ASP 92 15.749 25.964 -13.280 737 HB3 ASP 92 2HB ASP 92 14.155 26.668 -13.026 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -29.549 -30.778 -11.421 2 H2 GLY 1 2H GLY 1 -28.433 -30.123 -12.425 3 H3 GLY 1 3H GLY 1 -28.072 -30.368 -10.845 4 HA2 GLY 1 1HA GLY 1 -28.610 -32.493 -12.817 5 HA3 GLY 1 2HA GLY 1 -27.003 -32.037 -12.222 6 H SER 2 H SER 2 -28.660 -34.585 -12.019 7 HA SER 2 HA SER 2 -29.763 -34.963 -9.490 8 HB2 SER 2 1HB SER 2 -28.420 -37.064 -11.229 9 HB3 SER 2 2HB SER 2 -29.662 -37.342 -9.991 10 HG SER 2 HG SER 2 -30.557 -37.250 -12.107 11 H SER 3 H SER 3 -26.334 -35.048 -10.258 12 HA SER 3 HA SER 3 -25.456 -36.501 -7.926 13 HB2 SER 3 1HB SER 3 -23.930 -34.509 -9.643 14 HB3 SER 3 2HB SER 3 -23.235 -35.714 -8.543 15 HG SER 3 HG SER 3 -23.240 -36.441 -10.721 16 H GLY 4 H GLY 4 -26.679 -33.289 -8.196 17 HA2 GLY 4 1HA GLY 4 -26.902 -31.598 -6.640 18 HA3 GLY 4 2HA GLY 4 -26.186 -32.654 -5.426 19 H SER 5 H SER 5 -25.203 -30.674 -4.647 20 HA SER 5 HA SER 5 -22.495 -30.270 -5.716 21 HB2 SER 5 1HB SER 5 -23.960 -28.546 -6.845 22 HB3 SER 5 2HB SER 5 -24.303 -27.870 -5.240 23 HG SER 5 HG SER 5 -22.531 -26.837 -6.326 24 H SER 6 H SER 6 -21.081 -29.196 -4.173 25 HA SER 6 HA SER 6 -21.451 -30.210 -1.520 26 HB2 SER 6 1HB SER 6 -19.371 -28.252 -2.560 27 HB3 SER 6 2HB SER 6 -19.294 -29.147 -1.029 28 HG SER 6 HG SER 6 -18.118 -30.190 -2.718 29 H GLY 7 H GLY 7 -22.105 -29.318 0.340 30 HA2 GLY 7 1HA GLY 7 -23.251 -26.620 0.461 31 HA3 GLY 7 2HA GLY 7 -23.195 -27.814 1.754 32 H LYS 8 H LYS 8 -22.734 -25.260 2.377 33 HA LYS 8 HA LYS 8 -19.838 -24.859 2.831 34 HB2 LYS 8 1HB LYS 8 -22.197 -22.970 2.811 35 HB3 LYS 8 2HB LYS 8 -20.548 -22.481 3.187 36 HG2 LYS 8 1HG LYS 8 -19.793 -23.068 0.936 37 HG3 LYS 8 2HG LYS 8 -21.367 -23.750 0.539 38 HD2 LYS 8 1HD LYS 8 -22.409 -21.508 0.817 39 HD3 LYS 8 2HD LYS 8 -20.822 -20.824 1.227 40 HE2 LYS 8 1HE LYS 8 -19.955 -21.514 -1.001 41 HE3 LYS 8 2HE LYS 8 -21.534 -22.197 -1.406 42 HZ1 LYS 8 3HZ LYS 8 -21.279 -19.957 -2.309 43 HZ2 LYS 8 1HZ LYS 8 -21.021 -19.325 -0.828 44 HZ3 LYS 8 2HZ LYS 8 -22.481 -19.959 -1.206 45 HA PRO 9 HA PRO 9 -21.579 -25.982 7.008 46 HB2 PRO 9 1HB PRO 9 -19.599 -27.749 7.780 47 HB3 PRO 9 2HB PRO 9 -20.971 -28.174 6.733 48 HG2 PRO 9 1HG PRO 9 -18.200 -27.511 5.855 49 HG3 PRO 9 2HG PRO 9 -19.221 -28.887 5.354 50 HD2 PRO 9 1HD PRO 9 -19.069 -26.579 3.882 51 HD3 PRO 9 2HD PRO 9 -20.564 -27.523 3.998 52 H TYR 10 H TYR 10 -18.316 -24.933 6.089 53 HA TYR 10 HA TYR 10 -17.603 -24.301 8.836 54 HB2 TYR 10 1HB TYR 10 -16.193 -23.649 6.234 55 HB3 TYR 10 2HB TYR 10 -15.554 -23.404 7.849 56 HD1 TYR 10 1HD TYR 10 -16.594 -25.994 5.388 57 HD2 TYR 10 2HD TYR 10 -14.763 -25.247 9.218 58 HE1 TYR 10 1HE TYR 10 -15.718 -28.305 5.406 59 HE2 TYR 10 2HE TYR 10 -13.906 -27.592 9.260 60 HH TYR 10 HH TYR 10 -13.782 -29.594 8.147 61 H LYS 11 H LYS 11 -18.811 -22.786 9.730 62 HA LYS 11 HA LYS 11 -19.533 -20.236 8.365 63 HB2 LYS 11 1HB LYS 11 -20.514 -21.672 10.848 64 HB3 LYS 11 2HB LYS 11 -20.730 -19.938 10.702 65 HG2 LYS 11 1HG LYS 11 -22.730 -20.927 9.990 66 HG3 LYS 11 2HG LYS 11 -21.953 -20.217 8.579 67 HD2 LYS 11 1HD LYS 11 -21.241 -22.460 7.821 68 HD3 LYS 11 2HD LYS 11 -21.900 -23.178 9.314 69 HE2 LYS 11 1HE LYS 11 -24.158 -22.343 8.711 70 HE3 LYS 11 2HE LYS 11 -23.502 -21.659 7.213 71 HZ1 LYS 11 3HZ LYS 11 -24.532 -23.820 6.844 72 HZ2 LYS 11 1HZ LYS 11 -23.513 -24.543 7.897 73 HZ3 LYS 11 2HZ LYS 11 -22.934 -23.881 6.499 74 H CYS 12 H CYS 12 -19.075 -18.204 9.127 75 HA CYS 12 HA CYS 12 -16.682 -17.834 10.731 76 HB2 CYS 12 1HB CYS 12 -17.132 -16.535 8.762 77 HB3 CYS 12 2HB CYS 12 -18.646 -15.929 9.448 78 HA PRO 13 HA PRO 13 -19.162 -17.356 14.523 79 HB2 PRO 13 1HB PRO 13 -17.132 -16.832 16.271 80 HB3 PRO 13 2HB PRO 13 -17.404 -18.453 15.560 81 HG2 PRO 13 1HG PRO 13 -15.384 -16.358 14.768 82 HG3 PRO 13 2HG PRO 13 -15.167 -18.126 14.899 83 HD2 PRO 13 1HD PRO 13 -15.718 -16.739 12.515 84 HD3 PRO 13 2HD PRO 13 -16.038 -18.477 12.777 85 H GLN 14 H GLN 14 -17.551 -14.974 12.714 86 HA GLN 14 HA GLN 14 -18.206 -12.757 14.605 87 HB2 GLN 14 1HB GLN 14 -16.226 -12.663 12.316 88 HB3 GLN 14 2HB GLN 14 -16.409 -11.549 13.669 89 HG2 GLN 14 1HG GLN 14 -15.842 -13.573 15.177 90 HG3 GLN 14 2HG GLN 14 -15.354 -14.400 13.694 91 HE21 GLN 14 1HE2 GLN 14 -14.612 -11.422 15.623 92 HE22 GLN 14 2HE2 GLN 14 -12.932 -11.398 15.099 93 H CYS 15 H CYS 15 -18.766 -13.899 11.294 94 HA CYS 15 HA CYS 15 -20.936 -11.897 11.082 95 HB2 CYS 15 1HB CYS 15 -20.285 -11.079 8.928 96 HB3 CYS 15 2HB CYS 15 -18.961 -10.826 10.057 97 H SER 16 H SER 16 -21.890 -12.350 8.605 98 HA SER 16 HA SER 16 -23.257 -14.890 8.951 99 HB2 SER 16 1HB SER 16 -24.596 -14.113 7.014 100 HB3 SER 16 2HB SER 16 -24.505 -12.932 8.327 101 HG SER 16 HG SER 16 -24.155 -11.974 6.259 102 H TYR 17 H TYR 17 -20.305 -14.359 7.580 103 HA TYR 17 HA TYR 17 -20.359 -15.662 5.076 104 HB2 TYR 17 1HB TYR 17 -18.531 -14.286 5.855 105 HB3 TYR 17 2HB TYR 17 -18.199 -15.377 7.184 106 HD1 TYR 17 1HD TYR 17 -18.048 -14.902 3.499 107 HD2 TYR 17 2HD TYR 17 -16.848 -17.414 6.799 108 HE1 TYR 17 1HE TYR 17 -16.397 -16.049 2.033 109 HE2 TYR 17 2HE TYR 17 -15.170 -18.529 5.338 110 HH TYR 17 HH TYR 17 -14.755 -17.618 1.895 111 H ALA 18 H ALA 18 -19.903 -17.687 4.355 112 HA ALA 18 HA ALA 18 -19.156 -19.835 6.145 113 HB1 ALA 18 1HB ALA 18 -21.652 -19.893 6.279 114 HB2 ALA 18 2HB ALA 18 -21.726 -20.082 4.515 115 HB3 ALA 18 3HB ALA 18 -20.983 -21.348 5.518 116 H SER 19 H SER 19 -18.204 -21.634 5.038 117 HA SER 19 HA SER 19 -18.181 -21.620 2.074 118 HB2 SER 19 1HB SER 19 -16.213 -20.253 2.869 119 HB3 SER 19 2HB SER 19 -15.583 -21.716 3.645 120 HG SER 19 HG SER 19 -16.126 -21.273 0.873 121 H ALA 20 H ALA 20 -17.828 -23.603 1.112 122 HA ALA 20 HA ALA 20 -18.021 -26.072 2.385 123 HB1 ALA 20 1HB ALA 20 -17.433 -26.975 0.235 124 HB2 ALA 20 2HB ALA 20 -18.508 -25.586 0.035 125 HB3 ALA 20 3HB ALA 20 -16.762 -25.406 -0.284 126 H ILE 21 H ILE 21 -15.195 -24.095 2.403 127 HA ILE 21 HA ILE 21 -13.430 -26.465 2.924 128 HB ILE 21 HB ILE 21 -12.790 -23.906 1.436 129 HG12 ILE 21 1HG1 ILE 21 -13.139 -26.767 0.427 130 HG13 ILE 21 2HG1 ILE 21 -14.215 -25.409 0.101 131 HG21 ILE 21 1HG2 ILE 21 -10.833 -24.743 2.674 132 HG22 ILE 21 2HG2 ILE 21 -11.033 -26.350 1.937 133 HG23 ILE 21 3HG2 ILE 21 -10.598 -24.927 0.960 134 HD11 ILE 21 3HD1 ILE 21 -12.931 -25.747 -1.855 135 HD12 ILE 21 1HD1 ILE 21 -12.338 -24.253 -1.106 136 HD13 ILE 21 2HD1 ILE 21 -11.404 -25.765 -0.969 137 H LYS 22 H LYS 22 -12.268 -26.498 4.717 138 HA LYS 22 HA LYS 22 -12.513 -24.633 6.852 139 HB2 LYS 22 1HB LYS 22 -11.980 -26.975 7.185 140 HB3 LYS 22 2HB LYS 22 -10.503 -26.841 6.246 141 HG2 LYS 22 1HG LYS 22 -10.096 -27.014 8.657 142 HG3 LYS 22 2HG LYS 22 -9.414 -25.549 7.957 143 HD2 LYS 22 1HD LYS 22 -11.213 -24.191 8.907 144 HD3 LYS 22 2HD LYS 22 -12.045 -25.637 9.512 145 HE2 LYS 22 1HE LYS 22 -10.432 -26.056 11.158 146 HE3 LYS 22 2HE LYS 22 -9.163 -25.195 10.280 147 HZ1 LYS 22 3HZ LYS 22 -10.153 -23.119 10.824 148 HZ2 LYS 22 1HZ LYS 22 -9.946 -23.945 12.218 149 HZ3 LYS 22 2HZ LYS 22 -11.447 -23.820 11.576 150 H ALA 23 H ALA 23 -9.841 -24.995 4.488 151 HA ALA 23 HA ALA 23 -8.171 -22.943 5.478 152 HB1 ALA 23 1HB ALA 23 -7.507 -24.626 3.796 153 HB2 ALA 23 2HB ALA 23 -8.564 -23.849 2.592 154 HB3 ALA 23 3HB ALA 23 -7.165 -22.976 3.244 155 H ASN 24 H ASN 24 -11.040 -22.640 3.352 156 HA ASN 24 HA ASN 24 -10.673 -19.817 2.812 157 HB2 ASN 24 1HB ASN 24 -13.104 -21.664 2.689 158 HB3 ASN 24 2HB ASN 24 -13.151 -19.981 2.231 159 HD21 ASN 24 1HD2 ASN 24 -13.966 -21.663 0.416 160 HD22 ASN 24 2HD2 ASN 24 -12.782 -21.789 -0.892 161 H LEU 25 H LEU 25 -12.470 -21.605 5.399 162 HA LEU 25 HA LEU 25 -13.416 -19.184 6.643 163 HB2 LEU 25 1HB LEU 25 -14.428 -21.328 7.163 164 HB3 LEU 25 2HB LEU 25 -12.902 -21.942 7.810 165 HG LEU 25 HG LEU 25 -12.969 -20.265 9.627 166 HD11 LEU 25 1HD1 LEU 25 -14.247 -18.435 8.567 167 HD12 LEU 25 2HD1 LEU 25 -15.019 -18.973 10.052 168 HD13 LEU 25 3HD1 LEU 25 -15.686 -19.476 8.480 169 HD21 LEU 25 3HD2 LEU 25 -14.755 -21.238 10.916 170 HD22 LEU 25 1HD2 LEU 25 -14.022 -22.502 9.913 171 HD23 LEU 25 2HD2 LEU 25 -15.587 -21.783 9.454 172 H ASN 26 H ASN 26 -10.419 -21.118 7.227 173 HA ASN 26 HA ASN 26 -9.327 -19.529 9.290 174 HB2 ASN 26 1HB ASN 26 -7.822 -20.792 6.950 175 HB3 ASN 26 2HB ASN 26 -7.106 -20.278 8.465 176 HD21 ASN 26 1HD2 ASN 26 -6.791 -22.728 7.350 177 HD22 ASN 26 2HD2 ASN 26 -7.472 -23.930 8.455 178 H VAL 27 H VAL 27 -9.001 -19.067 5.741 179 HA VAL 27 HA VAL 27 -7.308 -16.785 5.989 180 HB VAL 27 HB VAL 27 -7.859 -18.446 3.969 181 HG11 VAL 27 1HG1 VAL 27 -9.344 -15.979 3.039 182 HG12 VAL 27 2HG1 VAL 27 -8.866 -17.394 2.078 183 HG13 VAL 27 3HG1 VAL 27 -10.056 -17.581 3.356 184 HG21 VAL 27 3HG2 VAL 27 -6.937 -15.573 3.784 185 HG22 VAL 27 1HG2 VAL 27 -5.939 -16.995 4.225 186 HG23 VAL 27 2HG2 VAL 27 -6.575 -16.842 2.577 187 H HIS 28 H HIS 28 -10.761 -17.111 5.619 188 HA HIS 28 HA HIS 28 -11.429 -14.425 5.194 189 HB2 HIS 28 1HB HIS 28 -12.951 -16.225 4.781 190 HB3 HIS 28 2HB HIS 28 -12.902 -16.774 6.451 191 HD1 HIS 28 1HD HIS 28 -14.597 -14.025 4.410 192 HD2 HIS 28 2HD HIS 28 -14.328 -15.547 8.316 193 HE1 HIS 28 1HE HIS 28 -16.314 -12.741 5.780 194 H LEU 29 H LEU 29 -11.051 -16.154 8.316 195 HA LEU 29 HA LEU 29 -12.031 -14.127 10.036 196 HB2 LEU 29 1HB LEU 29 -9.830 -16.175 10.482 197 HB3 LEU 29 2HB LEU 29 -10.580 -15.254 11.777 198 HG LEU 29 HG LEU 29 -12.243 -17.039 9.975 199 HD11 LEU 29 1HD1 LEU 29 -10.447 -18.417 10.981 200 HD12 LEU 29 2HD1 LEU 29 -12.026 -18.805 11.674 201 HD13 LEU 29 3HD1 LEU 29 -10.877 -17.803 12.591 202 HD21 LEU 29 3HD2 LEU 29 -13.513 -15.473 11.352 203 HD22 LEU 29 1HD2 LEU 29 -12.659 -16.034 12.809 204 HD23 LEU 29 2HD2 LEU 29 -13.715 -17.140 11.908 205 H ARG 30 H ARG 30 -8.992 -14.233 8.345 206 HA ARG 30 HA ARG 30 -7.373 -12.613 10.003 207 HB2 ARG 30 1HB ARG 30 -7.364 -12.826 6.959 208 HB3 ARG 30 2HB ARG 30 -6.055 -12.170 7.938 209 HG2 ARG 30 1HG ARG 30 -5.749 -14.343 9.068 210 HG3 ARG 30 2HG ARG 30 -7.067 -15.040 8.109 211 HD2 ARG 30 1HD ARG 30 -5.815 -14.561 6.028 212 HD3 ARG 30 2HD ARG 30 -4.478 -13.901 6.995 213 HE ARG 30 HE ARG 30 -5.061 -16.523 7.938 214 HH11 ARG 30 2HH1 ARG 30 -3.636 -15.057 5.092 215 HH12 ARG 30 1HH1 ARG 30 -2.659 -16.456 4.749 216 HH21 ARG 30 2HH2 ARG 30 -3.777 -18.271 7.448 217 HH22 ARG 30 1HH2 ARG 30 -2.746 -18.227 6.048 218 H LYS 31 H LYS 31 -9.934 -11.607 7.804 219 HA LYS 31 HA LYS 31 -9.178 -8.796 7.762 220 HB2 LYS 31 1HB LYS 31 -11.009 -8.456 6.413 221 HB3 LYS 31 2HB LYS 31 -10.550 -10.123 6.060 222 HG2 LYS 31 1HG LYS 31 -12.425 -10.876 7.614 223 HG3 LYS 31 2HG LYS 31 -12.866 -9.185 7.819 224 HD2 LYS 31 1HD LYS 31 -14.331 -10.133 6.179 225 HD3 LYS 31 2HD LYS 31 -13.264 -8.964 5.390 226 HE2 LYS 31 1HE LYS 31 -11.802 -10.920 4.669 227 HE3 LYS 31 2HE LYS 31 -13.018 -12.010 5.339 228 HZ1 LYS 31 3HZ LYS 31 -13.345 -11.635 2.941 229 HZ2 LYS 31 1HZ LYS 31 -13.468 -10.028 3.155 230 HZ3 LYS 31 2HZ LYS 31 -14.625 -11.010 3.747 231 H HIS 32 H HIS 32 -10.931 -10.689 10.016 232 HA HIS 32 HA HIS 32 -12.362 -8.454 11.269 233 HB2 HIS 32 1HB HIS 32 -12.101 -11.389 12.005 234 HB3 HIS 32 2HB HIS 32 -13.168 -10.235 12.797 235 HD1 HIS 32 1HD HIS 32 -14.632 -8.881 10.397 236 HD2 HIS 32 2HD HIS 32 -13.777 -12.971 10.809 237 HE1 HIS 32 1HE HIS 32 -16.364 -10.085 8.996 238 H THR 33 H THR 33 -9.173 -9.140 11.411 239 HA THR 33 HA THR 33 -8.835 -7.974 14.105 240 HB THR 33 HB THR 33 -8.797 -10.357 14.501 241 HG1 THR 33 1HG THR 33 -6.898 -10.467 15.582 242 HG21 THR 33 3HG2 THR 33 -8.040 -11.244 12.343 243 HG22 THR 33 1HG2 THR 33 -6.998 -11.815 13.653 244 HG23 THR 33 2HG2 THR 33 -6.438 -10.509 12.585 245 H GLY 34 H GLY 34 -6.410 -7.716 14.485 246 HA2 GLY 34 1HA GLY 34 -4.430 -6.818 14.029 247 HA3 GLY 34 2HA GLY 34 -4.526 -7.564 12.439 248 H GLU 35 H GLU 35 -3.347 -5.809 11.535 249 HA GLU 35 HA GLU 35 -5.076 -3.529 10.709 250 HB2 GLU 35 1HB GLU 35 -2.220 -3.379 11.718 251 HB3 GLU 35 2HB GLU 35 -2.836 -2.212 10.535 252 HG2 GLU 35 1HG GLU 35 -4.604 -1.501 12.011 253 HG3 GLU 35 2HG GLU 35 -4.205 -2.757 13.177 254 H LYS 36 H LYS 36 -5.287 -3.311 8.666 255 HA LYS 36 HA LYS 36 -3.653 -4.958 6.809 256 HB2 LYS 36 1HB LYS 36 -6.211 -3.372 6.439 257 HB3 LYS 36 2HB LYS 36 -5.203 -3.863 5.080 258 HG2 LYS 36 1HG LYS 36 -5.314 -6.243 6.407 259 HG3 LYS 36 2HG LYS 36 -6.867 -5.570 6.905 260 HD2 LYS 36 1HD LYS 36 -7.580 -5.343 4.582 261 HD3 LYS 36 2HD LYS 36 -5.938 -5.646 3.997 262 HE2 LYS 36 1HE LYS 36 -6.084 -7.953 5.081 263 HE3 LYS 36 2HE LYS 36 -7.818 -7.655 5.273 264 HZ1 LYS 36 3HZ LYS 36 -7.311 -8.818 3.178 265 HZ2 LYS 36 1HZ LYS 36 -6.325 -7.609 2.687 266 HZ3 LYS 36 2HZ LYS 36 -7.934 -7.344 2.839 267 H PHE 37 H PHE 37 -1.840 -4.366 6.300 268 HA PHE 37 HA PHE 37 -1.280 -1.557 5.460 269 HB2 PHE 37 1HB PHE 37 0.709 -3.814 5.813 270 HB3 PHE 37 2HB PHE 37 1.018 -2.083 5.637 271 HD1 PHE 37 2HD PHE 37 0.616 -0.511 7.510 272 HD2 PHE 37 1HD PHE 37 0.093 -4.769 7.947 273 HE1 PHE 37 2HE PHE 37 0.587 -0.260 9.966 274 HE2 PHE 37 1HE PHE 37 0.084 -4.518 10.398 275 HZ PHE 37 HZ PHE 37 0.261 -2.258 11.434 276 H ALA 38 H ALA 38 -1.490 -1.151 3.373 277 HA ALA 38 HA ALA 38 -1.542 -3.297 1.350 278 HB1 ALA 38 1HB ALA 38 -2.404 -1.560 -0.136 279 HB2 ALA 38 2HB ALA 38 -3.317 -1.554 1.389 280 HB3 ALA 38 3HB ALA 38 -2.077 -0.313 1.083 281 H CYS 39 H CYS 39 -0.227 -3.488 -0.468 282 HA CYS 39 HA CYS 39 2.469 -2.471 -0.322 283 HB2 CYS 39 1HB CYS 39 1.812 -4.627 -1.172 284 HB3 CYS 39 2HB CYS 39 0.829 -3.894 -2.435 285 H ASP 40 H ASP 40 3.476 -0.953 -1.461 286 HA ASP 40 HA ASP 40 1.866 1.267 -2.545 287 HB2 ASP 40 1HB ASP 40 3.795 1.586 -0.955 288 HB3 ASP 40 2HB ASP 40 4.880 1.028 -2.227 289 H TYR 41 H TYR 41 3.077 -1.592 -3.787 290 HA TYR 41 HA TYR 41 3.664 -0.453 -6.508 291 HB2 TYR 41 1HB TYR 41 4.791 -2.907 -5.127 292 HB3 TYR 41 2HB TYR 41 5.109 -2.422 -6.779 293 HD1 TYR 41 2HD TYR 41 5.528 -1.561 -3.212 294 HD2 TYR 41 1HD TYR 41 6.785 -0.720 -7.244 295 HE1 TYR 41 2HE TYR 41 7.440 -0.208 -2.330 296 HE2 TYR 41 1HE TYR 41 8.722 0.592 -6.370 297 HH TYR 41 HH TYR 41 9.288 1.050 -2.862 298 H CYS 42 H CYS 42 1.833 -2.890 -4.740 299 HA CYS 42 HA CYS 42 0.223 -3.294 -7.184 300 HB2 CYS 42 1HB CYS 42 0.096 -5.701 -6.968 301 HB3 CYS 42 2HB CYS 42 1.753 -5.169 -7.258 302 H SER 43 H SER 43 -1.719 -4.898 -6.482 303 HA SER 43 HA SER 43 -3.288 -3.412 -4.529 304 HB2 SER 43 1HB SER 43 -5.102 -4.948 -5.253 305 HB3 SER 43 2HB SER 43 -4.315 -4.099 -6.591 306 HG SER 43 HG SER 43 -4.604 -6.347 -7.022 307 H PHE 44 H PHE 44 -0.974 -5.590 -3.886 308 HA PHE 44 HA PHE 44 -2.147 -7.574 -2.254 309 HB2 PHE 44 1HB PHE 44 0.079 -7.702 -3.085 310 HB3 PHE 44 2HB PHE 44 0.580 -6.275 -2.203 311 HD1 PHE 44 2HD PHE 44 -0.473 -9.843 -1.827 312 HD2 PHE 44 1HD PHE 44 1.395 -6.433 0.042 313 HE1 PHE 44 2HE PHE 44 0.356 -11.294 0.013 314 HE2 PHE 44 1HE PHE 44 2.253 -7.890 1.851 315 HZ PHE 44 HZ PHE 44 1.726 -10.322 1.847 316 H THR 45 H THR 45 -2.338 -7.786 -0.060 317 HA THR 45 HA THR 45 -1.773 -5.554 1.741 318 HB THR 45 HB THR 45 -3.866 -5.819 2.969 319 HG1 THR 45 1HG THR 45 -4.763 -7.220 0.679 320 HG21 THR 45 3HG2 THR 45 -3.625 -3.966 1.492 321 HG22 THR 45 1HG2 THR 45 -5.308 -4.526 1.442 322 HG23 THR 45 2HG2 THR 45 -4.197 -4.909 0.095 323 H CYS 46 H CYS 46 -1.460 -6.101 3.846 324 HA CYS 46 HA CYS 46 -1.494 -8.978 4.606 325 HB2 CYS 46 1HB CYS 46 0.737 -8.378 3.570 326 HB3 CYS 46 2HB CYS 46 1.008 -7.269 4.928 327 HG CYS 46 HG CYS 46 2.317 -9.585 5.199 328 H LEU 47 H LEU 47 -1.427 -9.386 6.830 329 HA LEU 47 HA LEU 47 -2.500 -7.231 8.508 330 HB2 LEU 47 1HB LEU 47 -2.322 -10.235 8.819 331 HB3 LEU 47 2HB LEU 47 -2.763 -9.199 10.156 332 HG LEU 47 HG LEU 47 -4.734 -10.112 9.216 333 HD11 LEU 47 1HD1 LEU 47 -4.631 -7.173 8.422 334 HD12 LEU 47 2HD1 LEU 47 -4.835 -7.786 10.076 335 HD13 LEU 47 3HD1 LEU 47 -6.060 -8.124 8.849 336 HD21 LEU 47 3HD2 LEU 47 -5.568 -9.738 7.000 337 HD22 LEU 47 1HD2 LEU 47 -3.963 -10.477 6.874 338 HD23 LEU 47 2HD2 LEU 47 -4.173 -8.735 6.566 339 H SER 48 H SER 48 0.553 -7.992 7.762 340 HA SER 48 HA SER 48 1.581 -6.755 10.263 341 HB2 SER 48 1HB SER 48 2.138 -9.065 10.601 342 HB3 SER 48 2HB SER 48 2.719 -9.233 8.934 343 HG SER 48 HG SER 48 4.364 -8.884 10.631 344 H LYS 49 H LYS 49 2.726 -5.093 9.915 345 HA LYS 49 HA LYS 49 3.464 -4.077 7.346 346 HB2 LYS 49 1HB LYS 49 4.939 -2.552 8.850 347 HB3 LYS 49 2HB LYS 49 3.184 -2.383 8.817 348 HG2 LYS 49 1HG LYS 49 3.020 -3.605 10.962 349 HG3 LYS 49 2HG LYS 49 4.785 -3.813 10.985 350 HD2 LYS 49 1HD LYS 49 5.110 -1.401 11.141 351 HD3 LYS 49 2HD LYS 49 3.376 -1.104 10.884 352 HE2 LYS 49 1HE LYS 49 2.830 -2.293 12.964 353 HE3 LYS 49 2HE LYS 49 4.542 -2.645 13.240 354 HZ1 LYS 49 3HZ LYS 49 3.357 0.082 13.152 355 HZ2 LYS 49 1HZ LYS 49 4.939 -0.242 13.406 356 HZ3 LYS 49 2HZ LYS 49 3.824 -0.698 14.505 357 H GLY 50 H GLY 50 5.195 -6.073 9.676 358 HA2 GLY 50 1HA GLY 50 7.838 -5.791 8.493 359 HA3 GLY 50 2HA GLY 50 7.286 -7.017 9.637 360 H HIS 51 H HIS 51 5.146 -8.160 8.105 361 HA HIS 51 HA HIS 51 6.557 -9.735 6.095 362 HB2 HIS 51 1HB HIS 51 3.621 -9.514 6.801 363 HB3 HIS 51 2HB HIS 51 4.298 -10.690 5.673 364 HD1 HIS 51 1HD HIS 51 2.785 -11.774 8.175 365 HD2 HIS 51 2HD HIS 51 6.930 -11.066 7.949 366 HE1 HIS 51 1HE HIS 51 3.861 -13.234 9.968 367 H LEU 52 H LEU 52 4.335 -6.916 5.919 368 HA LEU 52 HA LEU 52 4.226 -6.800 3.070 369 HB2 LEU 52 1HB LEU 52 2.720 -5.505 4.494 370 HB3 LEU 52 2HB LEU 52 4.082 -4.618 5.179 371 HG LEU 52 HG LEU 52 4.580 -3.624 2.948 372 HD11 LEU 52 1HD1 LEU 52 3.613 -5.376 1.479 373 HD12 LEU 52 2HD1 LEU 52 2.900 -3.806 1.168 374 HD13 LEU 52 3HD1 LEU 52 1.986 -5.003 2.106 375 HD21 LEU 52 3HD2 LEU 52 3.083 -2.529 4.642 376 HD22 LEU 52 1HD2 LEU 52 1.704 -3.208 3.744 377 HD23 LEU 52 2HD2 LEU 52 2.792 -2.049 2.959 378 H LYS 53 H LYS 53 6.649 -5.389 5.357 379 HA LYS 53 HA LYS 53 8.328 -4.187 3.385 380 HB2 LYS 53 1HB LYS 53 8.714 -3.674 5.652 381 HB3 LYS 53 2HB LYS 53 8.837 -5.362 6.136 382 HG2 LYS 53 1HG LYS 53 10.944 -5.647 4.977 383 HG3 LYS 53 2HG LYS 53 10.867 -4.020 4.303 384 HD2 LYS 53 1HD LYS 53 10.983 -4.728 7.271 385 HD3 LYS 53 2HD LYS 53 12.391 -4.286 6.311 386 HE2 LYS 53 1HE LYS 53 9.994 -2.466 6.846 387 HE3 LYS 53 2HE LYS 53 11.505 -2.444 7.753 388 HZ1 LYS 53 3HZ LYS 53 11.272 -1.840 4.853 389 HZ2 LYS 53 1HZ LYS 53 12.674 -1.860 5.697 390 HZ3 LYS 53 2HZ LYS 53 11.529 -0.753 6.038 391 H VAL 54 H VAL 54 8.412 -7.563 4.642 392 HA VAL 54 HA VAL 54 10.494 -8.434 2.909 393 HB VAL 54 HB VAL 54 8.221 -9.993 4.193 394 HG11 VAL 54 1HG1 VAL 54 10.645 -11.021 2.654 395 HG12 VAL 54 2HG1 VAL 54 9.694 -12.010 3.795 396 HG13 VAL 54 3HG1 VAL 54 8.923 -11.367 2.348 397 HG21 VAL 54 3HG2 VAL 54 9.888 -8.931 5.710 398 HG22 VAL 54 1HG2 VAL 54 9.974 -10.698 5.745 399 HG23 VAL 54 2HG2 VAL 54 11.187 -9.763 4.833 400 H HIS 55 H HIS 55 6.956 -8.406 2.329 401 HA HIS 55 HA HIS 55 6.979 -9.567 -0.242 402 HB2 HIS 55 1HB HIS 55 4.879 -9.182 0.879 403 HB3 HIS 55 2HB HIS 55 5.176 -7.454 1.003 404 HD1 HIS 55 1HD HIS 55 4.071 -10.031 -1.608 405 HD2 HIS 55 2HD HIS 55 4.474 -5.889 -1.015 406 HE1 HIS 55 1HE HIS 55 2.930 -8.929 -3.586 407 H ILE 56 H ILE 56 7.446 -6.083 0.583 408 HA ILE 56 HA ILE 56 7.854 -5.357 -2.203 409 HB ILE 56 HB ILE 56 8.467 -3.910 0.378 410 HG12 ILE 56 1HG1 ILE 56 6.232 -3.441 -1.649 411 HG13 ILE 56 2HG1 ILE 56 6.032 -4.414 -0.198 412 HG21 ILE 56 1HG2 ILE 56 9.943 -3.108 -1.456 413 HG22 ILE 56 2HG2 ILE 56 8.525 -2.879 -2.500 414 HG23 ILE 56 3HG2 ILE 56 8.748 -1.884 -1.040 415 HD11 ILE 56 3HD1 ILE 56 6.658 -1.449 -0.230 416 HD12 ILE 56 1HD1 ILE 56 5.140 -2.242 0.227 417 HD13 ILE 56 2HD1 ILE 56 6.585 -2.478 1.225 418 H GLU 57 H GLU 57 10.106 -6.145 0.443 419 HA GLU 57 HA GLU 57 12.553 -5.608 -0.933 420 HB2 GLU 57 1HB GLU 57 11.772 -7.446 1.352 421 HB3 GLU 57 2HB GLU 57 13.435 -7.306 0.822 422 HG2 GLU 57 1HG GLU 57 11.850 -4.831 1.600 423 HG3 GLU 57 2HG GLU 57 12.613 -5.874 2.791 424 H ARG 58 H ARG 58 10.394 -8.271 -1.204 425 HA ARG 58 HA ARG 58 12.400 -9.856 -2.783 426 HB2 ARG 58 1HB ARG 58 11.366 -11.813 -2.201 427 HB3 ARG 58 2HB ARG 58 11.203 -10.819 -0.770 428 HG2 ARG 58 1HG ARG 58 8.835 -10.269 -1.554 429 HG3 ARG 58 2HG ARG 58 9.054 -11.549 -2.770 430 HD2 ARG 58 1HD ARG 58 9.584 -13.135 -0.893 431 HD3 ARG 58 2HD ARG 58 9.222 -11.819 0.247 432 HE ARG 58 HE ARG 58 7.033 -12.264 -1.593 433 HH11 ARG 58 2HH1 ARG 58 8.444 -13.700 1.275 434 HH12 ARG 58 1HH1 ARG 58 6.931 -14.399 1.779 435 HH21 ARG 58 2HH2 ARG 58 5.139 -13.220 -0.903 436 HH22 ARG 58 1HH2 ARG 58 5.120 -14.132 0.574 437 H VAL 59 H VAL 59 9.090 -8.556 -3.123 438 HA VAL 59 HA VAL 59 8.992 -9.658 -5.822 439 HB VAL 59 HB VAL 59 6.871 -7.998 -4.415 440 HG11 VAL 59 1HG1 VAL 59 6.711 -9.783 -6.882 441 HG12 VAL 59 2HG1 VAL 59 5.337 -8.985 -6.083 442 HG13 VAL 59 3HG1 VAL 59 6.578 -8.012 -6.867 443 HG21 VAL 59 3HG2 VAL 59 7.192 -11.022 -4.670 444 HG22 VAL 59 1HG2 VAL 59 7.177 -10.064 -3.169 445 HG23 VAL 59 2HG2 VAL 59 5.710 -10.205 -4.124 446 H HIS 60 H HIS 60 9.012 -6.408 -4.314 447 HA HIS 60 HA HIS 60 9.211 -5.143 -6.988 448 HB2 HIS 60 1HB HIS 60 8.288 -3.905 -4.412 449 HB3 HIS 60 2HB HIS 60 8.135 -3.247 -6.036 450 HD1 HIS 60 1HD HIS 60 6.418 -4.853 -7.702 451 HD2 HIS 60 2HD HIS 60 6.246 -5.160 -3.516 452 HE1 HIS 60 1HE HIS 60 4.132 -5.839 -7.174 453 H LYS 61 H LYS 61 11.480 -6.143 -5.258 454 HA LYS 61 HA LYS 61 13.079 -3.695 -4.817 455 HB2 LYS 61 1HB LYS 61 13.042 -5.416 -3.164 456 HB3 LYS 61 2HB LYS 61 13.577 -6.641 -4.295 457 HG2 LYS 61 1HG LYS 61 15.276 -4.193 -3.640 458 HG3 LYS 61 2HG LYS 61 15.215 -5.564 -2.551 459 HD2 LYS 61 1HD LYS 61 16.285 -5.554 -5.388 460 HD3 LYS 61 2HD LYS 61 17.183 -5.767 -3.900 461 HE2 LYS 61 1HE LYS 61 15.197 -7.711 -5.150 462 HE3 LYS 61 2HE LYS 61 16.948 -7.885 -5.064 463 HZ1 LYS 61 3HZ LYS 61 16.724 -7.974 -2.606 464 HZ2 LYS 61 1HZ LYS 61 15.933 -9.198 -3.335 465 HZ3 LYS 61 2HZ LYS 61 15.085 -7.941 -2.736 466 H LYS 62 H LYS 62 14.721 -3.017 -6.042 467 HA LYS 62 HA LYS 62 15.621 -2.404 -8.015 468 HB2 LYS 62 1HB LYS 62 17.085 -4.351 -7.259 469 HB3 LYS 62 2HB LYS 62 16.279 -5.325 -8.494 470 HG2 LYS 62 1HG LYS 62 17.083 -3.663 -10.231 471 HG3 LYS 62 2HG LYS 62 17.836 -2.728 -8.939 472 HD2 LYS 62 1HD LYS 62 19.529 -4.029 -10.037 473 HD3 LYS 62 2HD LYS 62 19.305 -4.676 -8.404 474 HE2 LYS 62 1HE LYS 62 17.895 -6.506 -9.322 475 HE3 LYS 62 2HE LYS 62 18.055 -5.827 -10.946 476 HZ1 LYS 62 3HZ LYS 62 20.454 -6.243 -10.813 477 HZ2 LYS 62 1HZ LYS 62 19.636 -7.635 -10.580 478 HZ3 LYS 62 2HZ LYS 62 20.309 -6.866 -9.308 479 H ILE 63 H ILE 63 13.087 -2.316 -8.194 480 HA ILE 63 HA ILE 63 12.070 -3.633 -10.630 481 HB ILE 63 HB ILE 63 10.738 -3.466 -8.534 482 HG12 ILE 63 1HG1 ILE 63 9.441 -2.252 -10.998 483 HG13 ILE 63 2HG1 ILE 63 9.741 -3.969 -10.721 484 HG21 ILE 63 1HG2 ILE 63 11.374 -1.078 -7.977 485 HG22 ILE 63 2HG2 ILE 63 10.298 -0.545 -9.287 486 HG23 ILE 63 3HG2 ILE 63 9.650 -1.414 -7.882 487 HD11 ILE 63 3HD1 ILE 63 8.252 -3.852 -8.701 488 HD12 ILE 63 1HD1 ILE 63 7.867 -2.167 -9.134 489 HD13 ILE 63 2HD1 ILE 63 7.430 -3.486 -10.230 490 H LYS 64 H LYS 64 11.328 -2.535 -12.484 491 HA LYS 64 HA LYS 64 12.662 -0.017 -13.185 492 HB2 LYS 64 1HB LYS 64 10.556 -1.617 -14.696 493 HB3 LYS 64 2HB LYS 64 11.458 -0.227 -15.317 494 HG2 LYS 64 1HG LYS 64 13.602 -1.518 -14.872 495 HG3 LYS 64 2HG LYS 64 12.617 -2.937 -14.519 496 HD2 LYS 64 1HD LYS 64 12.640 -1.413 -17.163 497 HD3 LYS 64 2HD LYS 64 13.512 -2.915 -16.828 498 HE2 LYS 64 1HE LYS 64 11.333 -4.048 -16.336 499 HE3 LYS 64 2HE LYS 64 10.479 -2.561 -16.769 500 HZ1 LYS 64 3HZ LYS 64 12.214 -4.131 -18.605 501 HZ2 LYS 64 1HZ LYS 64 11.434 -2.753 -19.011 502 HZ3 LYS 64 2HZ LYS 64 10.585 -4.098 -18.646 503 H GLN 65 H GLN 65 11.666 1.928 -13.688 504 HA GLN 65 HA GLN 65 9.109 2.499 -12.219 505 HB2 GLN 65 1HB GLN 65 11.652 4.161 -12.464 506 HB3 GLN 65 2HB GLN 65 10.157 4.722 -11.722 507 HG2 GLN 65 1HG GLN 65 11.739 2.319 -10.702 508 HG3 GLN 65 2HG GLN 65 11.909 3.964 -10.111 509 HE21 GLN 65 1HE2 GLN 65 11.330 2.322 -8.145 510 HE22 GLN 65 2HE2 GLN 65 9.635 2.445 -7.700 511 H HIS 66 H HIS 66 8.035 4.554 -12.942 512 HA HIS 66 HA HIS 66 8.606 5.283 -15.752 513 HB2 HIS 66 1HB HIS 66 6.305 5.295 -16.399 514 HB3 HIS 66 2HB HIS 66 6.742 3.690 -15.838 515 HD1 HIS 66 1HD HIS 66 5.346 2.757 -13.757 516 HD2 HIS 66 2HD HIS 66 4.648 6.786 -14.761 517 HE1 HIS 66 1HE HIS 66 3.309 3.490 -12.407 518 H CYS 67 H CYS 67 8.210 7.345 -16.348 519 HA CYS 67 HA CYS 67 8.412 9.361 -14.356 520 HB2 CYS 67 1HB CYS 67 9.476 9.420 -16.547 521 HB3 CYS 67 2HB CYS 67 7.897 9.454 -17.340 522 H ARG 68 H ARG 68 7.124 10.718 -13.474 523 HA ARG 68 HA ARG 68 4.257 10.355 -13.352 524 HB2 ARG 68 1HB ARG 68 5.604 11.048 -11.460 525 HB3 ARG 68 2HB ARG 68 6.176 12.491 -12.286 526 HG2 ARG 68 1HG ARG 68 3.218 12.126 -11.902 527 HG3 ARG 68 2HG ARG 68 4.206 12.534 -10.496 528 HD2 ARG 68 1HD ARG 68 4.965 14.569 -11.477 529 HD3 ARG 68 2HD ARG 68 4.217 14.221 -13.029 530 HE ARG 68 HE ARG 68 2.948 15.276 -10.629 531 HH11 ARG 68 2HH1 ARG 68 2.184 13.556 -13.615 532 HH12 ARG 68 1HH1 ARG 68 0.553 14.175 -13.626 533 HH21 ARG 68 2HH2 ARG 68 0.854 15.975 -10.720 534 HH22 ARG 68 1HH2 ARG 68 -0.176 15.483 -12.029 535 H PHE 69 H PHE 69 6.267 12.284 -15.381 536 HA PHE 69 HA PHE 69 4.041 14.147 -16.082 537 HB2 PHE 69 1HB PHE 69 7.020 14.319 -16.522 538 HB3 PHE 69 2HB PHE 69 5.860 15.576 -16.908 539 HD1 PHE 69 1HD PHE 69 7.576 13.757 -14.144 540 HD2 PHE 69 2HD PHE 69 4.951 17.024 -15.162 541 HE1 PHE 69 1HE PHE 69 7.962 14.760 -11.912 542 HE2 PHE 69 2HE PHE 69 5.330 18.019 -12.919 543 HZ PHE 69 HZ PHE 69 6.862 16.908 -11.302 544 H CYS 70 H CYS 70 6.263 11.836 -17.645 545 HA CYS 70 HA CYS 70 4.747 12.185 -20.187 546 HB2 CYS 70 1HB CYS 70 6.703 12.138 -21.507 547 HB3 CYS 70 2HB CYS 70 6.790 13.458 -20.346 548 H LYS 71 H LYS 71 5.266 9.978 -17.874 549 HA LYS 71 HA LYS 71 5.193 7.731 -17.657 550 HB2 LYS 71 1HB LYS 71 3.712 7.815 -20.303 551 HB3 LYS 71 2HB LYS 71 3.673 6.497 -19.145 552 HG2 LYS 71 1HG LYS 71 2.635 9.308 -18.589 553 HG3 LYS 71 2HG LYS 71 1.665 7.928 -19.093 554 HD2 LYS 71 1HD LYS 71 2.302 6.697 -17.021 555 HD3 LYS 71 2HD LYS 71 3.292 8.068 -16.521 556 HE2 LYS 71 1HE LYS 71 1.263 8.230 -15.311 557 HE3 LYS 71 2HE LYS 71 1.275 9.530 -16.504 558 HZ1 LYS 71 3HZ LYS 71 -0.876 8.387 -16.411 559 HZ2 LYS 71 1HZ LYS 71 -0.195 6.957 -16.796 560 HZ3 LYS 71 2HZ LYS 71 -0.218 8.177 -17.886 561 H LYS 72 H LYS 72 7.487 8.849 -19.427 562 HA LYS 72 HA LYS 72 8.549 6.660 -20.950 563 HB2 LYS 72 1HB LYS 72 9.295 9.099 -20.901 564 HB3 LYS 72 2HB LYS 72 10.110 8.739 -19.387 565 HG2 LYS 72 1HG LYS 72 11.467 7.012 -20.495 566 HG3 LYS 72 2HG LYS 72 10.534 7.193 -21.993 567 HD2 LYS 72 1HD LYS 72 11.395 9.488 -22.297 568 HD3 LYS 72 2HD LYS 72 12.226 9.394 -20.739 569 HE2 LYS 72 1HE LYS 72 13.949 8.841 -22.191 570 HE3 LYS 72 2HE LYS 72 13.348 7.261 -21.655 571 HZ1 LYS 72 3HZ LYS 72 12.095 7.113 -23.748 572 HZ2 LYS 72 1HZ LYS 72 13.677 7.332 -24.068 573 HZ3 LYS 72 2HZ LYS 72 12.638 8.578 -24.228 574 H LYS 73 H LYS 73 9.631 4.828 -20.350 575 HA LYS 73 HA LYS 73 9.672 4.141 -17.471 576 HB2 LYS 73 1HB LYS 73 9.922 2.467 -19.979 577 HB3 LYS 73 2HB LYS 73 10.283 1.830 -18.363 578 HG2 LYS 73 1HG LYS 73 8.047 2.449 -17.561 579 HG3 LYS 73 2HG LYS 73 7.636 3.122 -19.149 580 HD2 LYS 73 1HD LYS 73 7.877 0.891 -20.179 581 HD3 LYS 73 2HD LYS 73 8.365 0.205 -18.610 582 HE2 LYS 73 1HE LYS 73 6.197 0.874 -17.628 583 HE3 LYS 73 2HE LYS 73 5.702 1.587 -19.169 584 HZ1 LYS 73 3HZ LYS 73 5.831 -0.638 -20.165 585 HZ2 LYS 73 1HZ LYS 73 4.795 -0.651 -18.906 586 HZ3 LYS 73 2HZ LYS 73 6.281 -1.300 -18.739 587 H TYR 74 H TYR 74 11.316 3.529 -16.312 588 HA TYR 74 HA TYR 74 14.092 4.102 -17.268 589 HB2 TYR 74 1HB TYR 74 12.523 5.376 -15.023 590 HB3 TYR 74 2HB TYR 74 14.261 5.162 -14.853 591 HD1 TYR 74 1HD TYR 74 11.640 6.851 -16.924 592 HD2 TYR 74 2HD TYR 74 15.847 6.411 -16.091 593 HE1 TYR 74 1HE TYR 74 12.153 8.644 -18.575 594 HE2 TYR 74 2HE TYR 74 16.366 8.178 -17.771 595 HH TYR 74 HH TYR 74 15.541 9.518 -19.410 596 H SER 75 H SER 75 15.548 2.649 -16.765 597 HA SER 75 HA SER 75 14.848 0.276 -15.291 598 HB2 SER 75 1HB SER 75 17.528 1.122 -16.440 599 HB3 SER 75 2HB SER 75 17.065 -0.515 -15.935 600 HG SER 75 HG SER 75 16.824 -0.196 -18.205 601 H ASP 76 H ASP 76 16.168 3.220 -14.207 602 HA ASP 76 HA ASP 76 16.654 2.038 -11.543 603 HB2 ASP 76 1HB ASP 76 18.880 2.480 -12.854 604 HB3 ASP 76 2HB ASP 76 18.527 4.179 -12.603 605 H VAL 77 H VAL 77 15.743 3.280 -9.939 606 HA VAL 77 HA VAL 77 14.031 5.498 -10.596 607 HB VAL 77 HB VAL 77 13.766 3.969 -8.629 608 HG11 VAL 77 1HG1 VAL 77 14.896 4.373 -6.544 609 HG12 VAL 77 2HG1 VAL 77 16.116 4.007 -7.772 610 HG13 VAL 77 3HG1 VAL 77 15.859 5.686 -7.239 611 HG21 VAL 77 3HG2 VAL 77 12.839 5.668 -7.153 612 HG22 VAL 77 1HG2 VAL 77 13.802 6.934 -7.942 613 HG23 VAL 77 2HG2 VAL 77 12.519 6.097 -8.841 614 H LYS 78 H LYS 78 17.442 5.361 -9.504 615 HA LYS 78 HA LYS 78 17.705 8.181 -8.926 616 HB2 LYS 78 1HB LYS 78 19.786 6.133 -9.800 617 HB3 LYS 78 2HB LYS 78 20.143 7.764 -9.219 618 HG2 LYS 78 1HG LYS 78 19.099 7.258 -7.037 619 HG3 LYS 78 2HG LYS 78 18.661 5.643 -7.598 620 HD2 LYS 78 1HD LYS 78 20.608 5.461 -6.212 621 HD3 LYS 78 2HD LYS 78 21.064 5.076 -7.878 622 HE2 LYS 78 1HE LYS 78 22.003 7.361 -8.152 623 HE3 LYS 78 2HE LYS 78 21.493 7.776 -6.511 624 HZ1 LYS 78 3HZ LYS 78 23.001 6.052 -5.678 625 HZ2 LYS 78 1HZ LYS 78 23.833 7.127 -6.578 626 HZ3 LYS 78 2HZ LYS 78 23.469 5.662 -7.195 627 H ASN 79 H ASN 79 18.009 6.362 -11.970 628 HA ASN 79 HA ASN 79 18.850 8.709 -13.480 629 HB2 ASN 79 1HB ASN 79 17.755 5.989 -14.338 630 HB3 ASN 79 2HB ASN 79 18.303 7.228 -15.462 631 HD21 ASN 79 1HD2 ASN 79 19.511 4.846 -15.702 632 HD22 ASN 79 2HD2 ASN 79 21.141 4.937 -15.052 633 H LEU 80 H LEU 80 15.687 7.294 -12.664 634 HA LEU 80 HA LEU 80 14.138 8.967 -14.376 635 HB2 LEU 80 1HB LEU 80 13.252 6.969 -13.178 636 HB3 LEU 80 2HB LEU 80 13.456 7.834 -11.647 637 HG LEU 80 HG LEU 80 11.809 9.513 -12.290 638 HD11 LEU 80 1HD1 LEU 80 12.120 9.384 -14.795 639 HD12 LEU 80 2HD1 LEU 80 10.460 9.302 -14.266 640 HD13 LEU 80 3HD1 LEU 80 11.294 7.809 -14.755 641 HD21 LEU 80 3HD2 LEU 80 9.829 8.107 -12.163 642 HD22 LEU 80 1HD2 LEU 80 11.098 7.448 -11.113 643 HD23 LEU 80 2HD2 LEU 80 10.765 6.693 -12.691 644 H ILE 81 H ILE 81 15.369 9.516 -11.024 645 HA ILE 81 HA ILE 81 14.142 12.050 -10.629 646 HB ILE 81 HB ILE 81 16.901 11.325 -9.602 647 HG12 ILE 81 1HG1 ILE 81 15.685 9.466 -8.984 648 HG13 ILE 81 2HG1 ILE 81 15.802 10.445 -7.584 649 HG21 ILE 81 1HG2 ILE 81 14.709 13.161 -8.561 650 HG22 ILE 81 2HG2 ILE 81 16.214 12.777 -7.696 651 HG23 ILE 81 3HG2 ILE 81 16.279 13.647 -9.233 652 HD11 ILE 81 3HD1 ILE 81 13.312 10.154 -9.312 653 HD12 ILE 81 1HD1 ILE 81 13.571 9.497 -7.687 654 HD13 ILE 81 2HD1 ILE 81 13.452 11.252 -7.918 655 H LYS 82 H LYS 82 17.349 11.270 -12.016 656 HA LYS 82 HA LYS 82 18.117 13.927 -12.651 657 HB2 LYS 82 1HB LYS 82 19.584 11.903 -12.633 658 HB3 LYS 82 2HB LYS 82 18.833 11.354 -14.139 659 HG2 LYS 82 1HG LYS 82 19.621 13.413 -15.283 660 HG3 LYS 82 2HG LYS 82 20.375 13.968 -13.782 661 HD2 LYS 82 1HD LYS 82 21.101 11.415 -15.294 662 HD3 LYS 82 2HD LYS 82 21.970 12.952 -15.403 663 HE2 LYS 82 1HE LYS 82 22.451 12.849 -12.957 664 HE3 LYS 82 2HE LYS 82 21.642 11.279 -12.871 665 HZ1 LYS 82 3HZ LYS 82 23.304 10.410 -14.429 666 HZ2 LYS 82 1HZ LYS 82 24.043 11.022 -13.109 667 HZ3 LYS 82 2HZ LYS 82 24.054 11.861 -14.508 668 H HIS 83 H HIS 83 16.238 11.615 -14.652 669 HA HIS 83 HA HIS 83 15.791 13.343 -16.897 670 HB2 HIS 83 1HB HIS 83 15.312 11.026 -17.102 671 HB3 HIS 83 2HB HIS 83 14.281 11.008 -15.683 672 HD1 HIS 83 1HD HIS 83 14.162 12.208 -19.335 673 HD2 HIS 83 2HD HIS 83 11.733 11.551 -15.971 674 HE1 HIS 83 1HE HIS 83 11.778 12.461 -20.157 675 H ILE 84 H ILE 84 13.835 13.026 -13.876 676 HA ILE 84 HA ILE 84 11.921 15.026 -14.665 677 HB ILE 84 HB ILE 84 12.768 13.902 -11.991 678 HG12 ILE 84 1HG1 ILE 84 10.129 13.565 -13.481 679 HG13 ILE 84 2HG1 ILE 84 11.506 12.511 -13.778 680 HG21 ILE 84 1HG2 ILE 84 11.920 16.170 -11.525 681 HG22 ILE 84 2HG2 ILE 84 10.488 15.868 -12.529 682 HG23 ILE 84 3HG2 ILE 84 10.734 14.982 -11.011 683 HD11 ILE 84 3HD1 ILE 84 10.080 12.824 -11.122 684 HD12 ILE 84 1HD1 ILE 84 10.078 11.420 -12.206 685 HD13 ILE 84 2HD1 ILE 84 11.580 11.900 -11.376 686 H ARG 85 H ARG 85 14.937 15.302 -12.778 687 HA ARG 85 HA ARG 85 14.854 18.152 -12.405 688 HB2 ARG 85 1HB ARG 85 17.171 16.174 -12.498 689 HB3 ARG 85 2HB ARG 85 17.361 17.881 -12.090 690 HG2 ARG 85 1HG ARG 85 15.784 17.639 -10.208 691 HG3 ARG 85 2HG ARG 85 15.567 15.933 -10.579 692 HD2 ARG 85 1HD ARG 85 17.116 16.085 -8.763 693 HD3 ARG 85 2HD ARG 85 17.999 15.545 -10.203 694 HE ARG 85 HE ARG 85 18.128 18.416 -9.947 695 HH11 ARG 85 2HH1 ARG 85 19.525 15.570 -8.458 696 HH12 ARG 85 1HH1 ARG 85 20.966 16.421 -7.972 697 HH21 ARG 85 2HH2 ARG 85 19.993 19.438 -9.306 698 HH22 ARG 85 1HH2 ARG 85 21.214 18.555 -8.438 699 H ASP 86 H ASP 86 15.762 16.360 -15.244 700 HA ASP 86 HA ASP 86 16.981 18.751 -16.526 701 HB2 ASP 86 1HB ASP 86 16.736 15.842 -17.351 702 HB3 ASP 86 2HB ASP 86 17.329 17.098 -18.427 703 H ALA 87 H ALA 87 14.144 16.621 -17.071 704 HA ALA 87 HA ALA 87 13.300 18.316 -19.356 705 HB1 ALA 87 1HB ALA 87 11.945 16.377 -19.953 706 HB2 ALA 87 2HB ALA 87 13.624 15.884 -19.661 707 HB3 ALA 87 3HB ALA 87 12.373 15.567 -18.436 708 H HIS 88 H HIS 88 12.240 17.541 -16.084 709 HA HIS 88 HA HIS 88 9.677 19.015 -16.516 710 HB2 HIS 88 1HB HIS 88 10.129 16.604 -14.742 711 HB3 HIS 88 2HB HIS 88 8.609 17.402 -15.100 712 HD1 HIS 88 1HD HIS 88 8.266 17.341 -18.112 713 HD2 HIS 88 2HD HIS 88 10.287 14.370 -15.943 714 HE1 HIS 88 1HE HIS 88 8.175 15.244 -19.557 715 H ASP 89 H ASP 89 12.275 20.006 -15.442 716 HA ASP 89 HA ASP 89 12.531 20.095 -12.777 717 HB2 ASP 89 1HB ASP 89 13.920 22.019 -13.021 718 HB3 ASP 89 2HB ASP 89 14.165 20.906 -14.359 719 HA PRO 90 HA PRO 90 9.209 22.429 -10.872 720 HB2 PRO 90 1HB PRO 90 11.435 23.187 -8.967 721 HB3 PRO 90 2HB PRO 90 9.759 22.675 -8.591 722 HG2 PRO 90 1HG PRO 90 11.812 20.912 -8.401 723 HG3 PRO 90 2HG PRO 90 10.254 20.407 -9.134 724 HD2 PRO 90 1HD PRO 90 12.833 21.137 -10.547 725 HD3 PRO 90 2HD PRO 90 11.628 19.871 -10.904 726 H GLN 91 H GLN 91 8.396 24.487 -10.849 727 HA GLN 91 HA GLN 91 9.963 26.604 -12.163 728 HB2 GLN 91 1HB GLN 91 7.028 26.420 -11.388 729 HB3 GLN 91 2HB GLN 91 7.767 27.758 -12.280 730 HG2 GLN 91 1HG GLN 91 8.449 26.187 -14.085 731 HG3 GLN 91 2HG GLN 91 7.651 24.863 -13.235 732 HE21 GLN 91 1HE2 GLN 91 6.734 25.065 -15.685 733 HE22 GLN 91 2HE2 GLN 91 5.198 25.922 -15.748 734 H ASP 92 H ASP 92 9.443 25.790 -8.947 735 HA ASP 92 HA ASP 92 10.305 28.438 -7.963 736 HB2 ASP 92 1HB ASP 92 8.615 28.656 -6.333 737 HB3 ASP 92 2HB ASP 92 7.800 28.414 -7.864 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -31.921 19.692 -0.936 2 H2 GLY 1 2H GLY 1 -31.969 18.192 -1.597 3 H3 GLY 1 3H GLY 1 -30.548 18.811 -1.059 4 HA2 GLY 1 1HA GLY 1 -32.867 18.122 0.628 5 HA3 GLY 1 2HA GLY 1 -31.373 17.176 0.500 6 H SER 2 H SER 2 -31.557 17.560 2.917 7 HA SER 2 HA SER 2 -31.071 20.130 4.069 8 HB2 SER 2 1HB SER 2 -30.513 17.373 5.224 9 HB3 SER 2 2HB SER 2 -30.639 18.891 6.134 10 HG SER 2 HG SER 2 -32.609 17.697 6.153 11 H SER 3 H SER 3 -29.242 21.008 5.075 12 HA SER 3 HA SER 3 -26.726 20.714 3.749 13 HB2 SER 3 1HB SER 3 -27.359 22.077 6.394 14 HB3 SER 3 2HB SER 3 -25.908 22.323 5.406 15 HG SER 3 HG SER 3 -27.504 23.941 5.032 16 H GLY 4 H GLY 4 -24.686 20.065 4.561 17 HA2 GLY 4 1HA GLY 4 -24.601 17.639 6.121 18 HA3 GLY 4 2HA GLY 4 -23.218 18.563 5.543 19 H SER 5 H SER 5 -23.404 17.263 8.070 20 HA SER 5 HA SER 5 -23.934 19.248 10.152 21 HB2 SER 5 1HB SER 5 -24.364 16.792 10.395 22 HB3 SER 5 2HB SER 5 -22.607 16.537 10.444 23 HG SER 5 HG SER 5 -23.631 16.784 12.542 24 H SER 6 H SER 6 -22.444 20.156 11.583 25 HA SER 6 HA SER 6 -19.859 20.874 10.378 26 HB2 SER 6 1HB SER 6 -21.219 21.869 12.905 27 HB3 SER 6 2HB SER 6 -19.744 22.537 12.183 28 HG SER 6 HG SER 6 -21.630 23.699 11.553 29 H GLY 7 H GLY 7 -17.832 20.726 11.369 30 HA2 GLY 7 1HA GLY 7 -16.140 19.888 12.702 31 HA3 GLY 7 2HA GLY 7 -17.339 19.574 13.951 32 H LYS 8 H LYS 8 -16.296 17.655 14.497 33 HA LYS 8 HA LYS 8 -16.358 15.337 12.664 34 HB2 LYS 8 1HB LYS 8 -14.671 15.984 15.093 35 HB3 LYS 8 2HB LYS 8 -14.580 14.471 14.196 36 HG2 LYS 8 1HG LYS 8 -13.830 15.640 12.178 37 HG3 LYS 8 2HG LYS 8 -14.039 17.204 12.964 38 HD2 LYS 8 1HD LYS 8 -12.302 16.601 14.637 39 HD3 LYS 8 2HD LYS 8 -12.100 15.019 13.857 40 HE2 LYS 8 1HE LYS 8 -11.434 16.152 11.743 41 HE3 LYS 8 2HE LYS 8 -11.635 17.727 12.524 42 HZ1 LYS 8 3HZ LYS 8 -9.864 17.107 14.083 43 HZ2 LYS 8 1HZ LYS 8 -9.312 17.014 12.551 44 HZ3 LYS 8 2HZ LYS 8 -9.680 15.648 13.365 45 HA PRO 9 HA PRO 9 -19.643 14.562 15.901 46 HB2 PRO 9 1HB PRO 9 -21.571 13.549 14.198 47 HB3 PRO 9 2HB PRO 9 -21.296 15.275 14.531 48 HG2 PRO 9 1HG PRO 9 -20.324 13.735 12.165 49 HG3 PRO 9 2HG PRO 9 -21.127 15.330 12.202 50 HD2 PRO 9 1HD PRO 9 -18.412 15.077 12.091 51 HD3 PRO 9 2HD PRO 9 -19.184 16.395 12.980 52 H TYR 10 H TYR 10 -18.412 12.420 13.338 53 HA TYR 10 HA TYR 10 -19.495 10.035 14.594 54 HB2 TYR 10 1HB TYR 10 -17.533 10.372 12.300 55 HB3 TYR 10 2HB TYR 10 -18.268 8.862 12.793 56 HD1 TYR 10 1HD TYR 10 -18.943 12.189 11.284 57 HD2 TYR 10 2HD TYR 10 -20.597 8.341 12.309 58 HE1 TYR 10 1HE TYR 10 -20.881 12.642 9.817 59 HE2 TYR 10 2HE TYR 10 -22.567 8.805 10.861 60 HH TYR 10 HH TYR 10 -23.579 10.295 9.434 61 H LYS 11 H LYS 11 -18.671 9.382 16.492 62 HA LYS 11 HA LYS 11 -15.777 9.696 17.126 63 HB2 LYS 11 1HB LYS 11 -17.993 8.839 19.012 64 HB3 LYS 11 2HB LYS 11 -16.388 9.425 19.422 65 HG2 LYS 11 1HG LYS 11 -18.714 11.034 18.312 66 HG3 LYS 11 2HG LYS 11 -18.039 11.092 19.934 67 HD2 LYS 11 1HD LYS 11 -15.911 12.020 19.028 68 HD3 LYS 11 2HD LYS 11 -16.585 11.935 17.393 69 HE2 LYS 11 1HE LYS 11 -16.800 14.191 18.088 70 HE3 LYS 11 2HE LYS 11 -18.414 13.482 18.061 71 HZ1 LYS 11 3HZ LYS 11 -18.027 14.809 20.072 72 HZ2 LYS 11 1HZ LYS 11 -16.768 13.873 20.511 73 HZ3 LYS 11 2HZ LYS 11 -18.284 13.256 20.490 74 H CYS 12 H CYS 12 -14.477 8.032 17.921 75 HA CYS 12 HA CYS 12 -15.126 5.319 17.112 76 HB2 CYS 12 1HB CYS 12 -12.935 6.250 16.827 77 HB3 CYS 12 2HB CYS 12 -12.773 6.526 18.569 78 HA PRO 13 HA PRO 13 -16.801 4.336 21.227 79 HB2 PRO 13 1HB PRO 13 -17.403 1.709 20.811 80 HB3 PRO 13 2HB PRO 13 -18.332 3.042 20.062 81 HG2 PRO 13 1HG PRO 13 -16.184 1.319 18.827 82 HG3 PRO 13 2HG PRO 13 -17.732 1.849 18.114 83 HD2 PRO 13 1HD PRO 13 -15.264 3.112 17.695 84 HD3 PRO 13 2HD PRO 13 -16.850 3.916 17.515 85 H GLN 14 H GLN 14 -13.853 3.363 19.833 86 HA GLN 14 HA GLN 14 -13.060 1.650 22.147 87 HB2 GLN 14 1HB GLN 14 -11.738 1.740 19.426 88 HB3 GLN 14 2HB GLN 14 -11.574 0.533 20.699 89 HG2 GLN 14 1HG GLN 14 -14.108 0.111 20.369 90 HG3 GLN 14 2HG GLN 14 -13.959 1.073 18.894 91 HE21 GLN 14 1HE2 GLN 14 -12.590 -1.903 20.450 92 HE22 GLN 14 2HE2 GLN 14 -12.321 -2.688 18.899 93 H CYS 15 H CYS 15 -12.138 4.568 20.342 94 HA CYS 15 HA CYS 15 -10.300 5.239 22.565 95 HB2 CYS 15 1HB CYS 15 -8.432 5.769 21.162 96 HB3 CYS 15 2HB CYS 15 -8.901 4.097 20.885 97 H SER 16 H SER 16 -9.247 7.579 21.736 98 HA SER 16 HA SER 16 -11.498 9.390 22.068 99 HB2 SER 16 1HB SER 16 -9.722 11.108 22.282 100 HB3 SER 16 2HB SER 16 -9.498 9.722 23.359 101 HG SER 16 HG SER 16 -7.547 10.331 22.291 102 H TYR 17 H TYR 17 -10.381 8.049 19.274 103 HA TYR 17 HA TYR 17 -10.020 10.186 17.465 104 HB2 TYR 17 1HB TYR 17 -9.399 7.896 17.002 105 HB3 TYR 17 2HB TYR 17 -11.059 7.363 17.110 106 HD1 TYR 17 1HD TYR 17 -8.595 9.308 15.105 107 HD2 TYR 17 2HD TYR 17 -12.567 7.614 15.168 108 HE1 TYR 17 1HE TYR 17 -8.763 9.575 12.629 109 HE2 TYR 17 2HE TYR 17 -12.711 7.854 12.700 110 HH TYR 17 HH TYR 17 -11.532 8.292 10.786 111 H ALA 18 H ALA 18 -11.281 11.209 15.976 112 HA ALA 18 HA ALA 18 -14.146 10.715 15.767 113 HB1 ALA 18 1HB ALA 18 -13.967 12.372 17.630 114 HB2 ALA 18 2HB ALA 18 -13.080 13.468 16.551 115 HB3 ALA 18 3HB ALA 18 -14.770 13.051 16.201 116 H SER 19 H SER 19 -15.050 11.521 13.790 117 HA SER 19 HA SER 19 -13.366 13.226 12.062 118 HB2 SER 19 1HB SER 19 -12.802 10.826 11.496 119 HB3 SER 19 2HB SER 19 -14.478 10.633 10.947 120 HG SER 19 HG SER 19 -12.478 12.430 9.977 121 H ALA 20 H ALA 20 -14.490 14.485 10.600 122 HA ALA 20 HA ALA 20 -17.226 14.963 10.633 123 HB1 ALA 20 1HB ALA 20 -15.263 15.429 8.382 124 HB2 ALA 20 2HB ALA 20 -16.801 16.284 8.677 125 HB3 ALA 20 3HB ALA 20 -15.467 16.463 9.822 126 H ILE 21 H ILE 21 -15.799 12.187 9.186 127 HA ILE 21 HA ILE 21 -18.151 11.800 7.361 128 HB ILE 21 HB ILE 21 -15.244 11.088 6.885 129 HG12 ILE 21 1HG1 ILE 21 -16.985 13.286 5.673 130 HG13 ILE 21 2HG1 ILE 21 -15.578 13.512 6.712 131 HG21 ILE 21 1HG2 ILE 21 -16.774 9.481 5.814 132 HG22 ILE 21 2HG2 ILE 21 -17.630 10.815 5.008 133 HG23 ILE 21 3HG2 ILE 21 -15.935 10.430 4.624 134 HD11 ILE 21 3HD1 ILE 21 -14.139 12.474 4.929 135 HD12 ILE 21 1HD1 ILE 21 -15.556 12.527 3.850 136 HD13 ILE 21 2HD1 ILE 21 -14.890 14.024 4.508 137 H LYS 22 H LYS 22 -19.223 9.915 7.465 138 HA LYS 22 HA LYS 22 -18.799 7.999 9.523 139 HB2 LYS 22 1HB LYS 22 -20.980 8.435 8.439 140 HB3 LYS 22 2HB LYS 22 -20.377 7.787 6.919 141 HG2 LYS 22 1HG LYS 22 -21.800 6.170 7.997 142 HG3 LYS 22 2HG LYS 22 -20.158 5.538 7.935 143 HD2 LYS 22 1HD LYS 22 -19.831 6.197 10.330 144 HD3 LYS 22 2HD LYS 22 -21.492 6.789 10.382 145 HE2 LYS 22 1HE LYS 22 -20.628 3.918 9.847 146 HE3 LYS 22 2HE LYS 22 -21.190 4.559 11.396 147 HZ1 LYS 22 3HZ LYS 22 -23.340 5.043 10.353 148 HZ2 LYS 22 1HZ LYS 22 -22.991 3.455 10.237 149 HZ3 LYS 22 2HZ LYS 22 -22.838 4.413 8.929 150 H ALA 23 H ALA 23 -17.915 7.805 6.060 151 HA ALA 23 HA ALA 23 -16.778 5.218 6.083 152 HB1 ALA 23 1HB ALA 23 -17.300 6.518 4.048 153 HB2 ALA 23 2HB ALA 23 -15.967 7.640 4.418 154 HB3 ALA 23 3HB ALA 23 -15.625 5.940 4.047 155 H ASN 24 H ASN 24 -15.295 8.321 7.085 156 HA ASN 24 HA ASN 24 -12.649 7.197 7.504 157 HB2 ASN 24 1HB ASN 24 -14.029 9.726 8.520 158 HB3 ASN 24 2HB ASN 24 -12.363 9.329 8.872 159 HD21 ASN 24 1HD2 ASN 24 -12.683 11.653 7.822 160 HD22 ASN 24 2HD2 ASN 24 -12.156 11.673 6.135 161 H LEU 25 H LEU 25 -15.574 7.319 9.528 162 HA LEU 25 HA LEU 25 -14.135 6.301 11.869 163 HB2 LEU 25 1HB LEU 25 -16.173 7.568 12.205 164 HB3 LEU 25 2HB LEU 25 -17.099 6.426 11.225 165 HG LEU 25 HG LEU 25 -16.686 4.629 12.868 166 HD11 LEU 25 1HD1 LEU 25 -15.751 5.155 15.081 167 HD12 LEU 25 2HD1 LEU 25 -15.285 6.779 14.522 168 HD13 LEU 25 3HD1 LEU 25 -14.521 5.326 13.836 169 HD21 LEU 25 3HD2 LEU 25 -17.751 7.131 14.213 170 HD22 LEU 25 1HD2 LEU 25 -18.126 5.451 14.624 171 HD23 LEU 25 2HD2 LEU 25 -18.671 6.114 13.073 172 H ASN 26 H ASN 26 -16.192 4.800 9.306 173 HA ASN 26 HA ASN 26 -16.028 2.119 10.148 174 HB2 ASN 26 1HB ASN 26 -15.816 3.148 7.275 175 HB3 ASN 26 2HB ASN 26 -16.258 1.518 7.747 176 HD21 ASN 26 1HD2 ASN 26 -17.681 3.073 6.034 177 HD22 ASN 26 2HD2 ASN 26 -19.272 3.365 6.749 178 H VAL 27 H VAL 27 -13.703 3.909 8.082 179 HA VAL 27 HA VAL 27 -11.968 1.694 7.681 180 HB VAL 27 HB VAL 27 -12.241 4.032 6.465 181 HG11 VAL 27 1HG1 VAL 27 -11.241 5.441 8.194 182 HG12 VAL 27 2HG1 VAL 27 -9.689 4.593 7.976 183 HG13 VAL 27 3HG1 VAL 27 -10.407 5.522 6.643 184 HG21 VAL 27 3HG2 VAL 27 -9.711 2.386 6.632 185 HG22 VAL 27 1HG2 VAL 27 -11.138 2.071 5.604 186 HG23 VAL 27 2HG2 VAL 27 -10.126 3.493 5.291 187 H HIS 28 H HIS 28 -11.982 4.223 10.072 188 HA HIS 28 HA HIS 28 -9.449 3.783 11.228 189 HB2 HIS 28 1HB HIS 28 -10.680 5.798 11.556 190 HB3 HIS 28 2HB HIS 28 -12.050 4.959 12.269 191 HD1 HIS 28 1HD HIS 28 -8.524 6.049 13.311 192 HD2 HIS 28 2HD HIS 28 -12.006 4.232 14.802 193 HE1 HIS 28 1HE HIS 28 -8.140 5.749 15.805 194 H LEU 29 H LEU 29 -12.611 2.300 12.040 195 HA LEU 29 HA LEU 29 -11.833 0.987 14.434 196 HB2 LEU 29 1HB LEU 29 -13.858 0.163 12.318 197 HB3 LEU 29 2HB LEU 29 -13.773 -0.547 13.925 198 HG LEU 29 HG LEU 29 -14.265 2.426 13.530 199 HD11 LEU 29 1HD1 LEU 29 -16.332 0.208 13.797 200 HD12 LEU 29 2HD1 LEU 29 -16.020 1.163 12.331 201 HD13 LEU 29 3HD1 LEU 29 -16.661 1.956 13.777 202 HD21 LEU 29 3HD2 LEU 29 -13.605 1.792 15.795 203 HD22 LEU 29 1HD2 LEU 29 -14.875 0.547 15.833 204 HD23 LEU 29 2HD2 LEU 29 -15.307 2.265 15.722 205 H ARG 30 H ARG 30 -11.116 0.132 11.132 206 HA ARG 30 HA ARG 30 -10.582 -2.635 11.351 207 HB2 ARG 30 1HB ARG 30 -9.156 -0.551 9.633 208 HB3 ARG 30 2HB ARG 30 -9.111 -2.288 9.370 209 HG2 ARG 30 1HG ARG 30 -11.551 -2.341 8.984 210 HG3 ARG 30 2HG ARG 30 -11.642 -0.589 9.253 211 HD2 ARG 30 1HD ARG 30 -10.110 -0.211 7.346 212 HD3 ARG 30 2HD ARG 30 -10.052 -1.964 7.053 213 HE ARG 30 HE ARG 30 -12.779 -1.164 7.090 214 HH11 ARG 30 2HH1 ARG 30 -10.001 -0.717 5.001 215 HH12 ARG 30 1HH1 ARG 30 -10.987 -0.532 3.577 216 HH21 ARG 30 2HH2 ARG 30 -13.977 -0.924 5.232 217 HH22 ARG 30 1HH2 ARG 30 -13.178 -0.640 3.714 218 H LYS 31 H LYS 31 -8.581 0.077 12.452 219 HA LYS 31 HA LYS 31 -6.220 -1.591 12.804 220 HB2 LYS 31 1HB LYS 31 -5.116 0.313 13.508 221 HB3 LYS 31 2HB LYS 31 -6.354 0.936 12.408 222 HG2 LYS 31 1HG LYS 31 -7.747 1.490 14.474 223 HG3 LYS 31 2HG LYS 31 -6.383 0.994 15.461 224 HD2 LYS 31 1HD LYS 31 -6.482 3.413 15.220 225 HD3 LYS 31 2HD LYS 31 -4.981 2.773 14.565 226 HE2 LYS 31 1HE LYS 31 -7.259 3.091 12.630 227 HE3 LYS 31 2HE LYS 31 -6.620 4.586 13.314 228 HZ1 LYS 31 3HZ LYS 31 -5.454 3.977 11.262 229 HZ2 LYS 31 1HZ LYS 31 -4.904 2.581 11.907 230 HZ3 LYS 31 2HZ LYS 31 -4.422 4.010 12.521 231 H HIS 32 H HIS 32 -8.948 -0.969 14.778 232 HA HIS 32 HA HIS 32 -7.745 -1.973 17.256 233 HB2 HIS 32 1HB HIS 32 -10.623 -1.362 16.510 234 HB3 HIS 32 2HB HIS 32 -10.038 -1.729 18.131 235 HD1 HIS 32 1HD HIS 32 -7.656 0.177 18.541 236 HD2 HIS 32 2HD HIS 32 -11.226 1.167 16.561 237 HE1 HIS 32 1HE HIS 32 -7.852 2.697 18.703 238 H THR 33 H THR 33 -8.840 -3.520 14.440 239 HA THR 33 HA THR 33 -9.350 -6.093 15.895 240 HB THR 33 HB THR 33 -10.705 -6.826 14.081 241 HG1 THR 33 1HG THR 33 -11.122 -5.532 12.302 242 HG21 THR 33 3HG2 THR 33 -11.701 -5.237 15.772 243 HG22 THR 33 1HG2 THR 33 -12.546 -5.266 14.201 244 HG23 THR 33 2HG2 THR 33 -11.438 -3.926 14.595 245 H GLY 34 H GLY 34 -7.965 -4.760 12.889 246 HA2 GLY 34 1HA GLY 34 -5.430 -5.776 13.345 247 HA3 GLY 34 2HA GLY 34 -6.234 -6.946 12.274 248 H GLU 35 H GLU 35 -4.405 -4.093 12.343 249 HA GLU 35 HA GLU 35 -5.593 -2.590 10.233 250 HB2 GLU 35 1HB GLU 35 -4.112 -1.678 11.983 251 HB3 GLU 35 2HB GLU 35 -2.732 -2.458 11.212 252 HG2 GLU 35 1HG GLU 35 -2.920 -1.067 9.264 253 HG3 GLU 35 2HG GLU 35 -4.563 -0.577 9.677 254 H LYS 36 H LYS 36 -5.357 -2.430 8.091 255 HA LYS 36 HA LYS 36 -3.946 -4.650 6.725 256 HB2 LYS 36 1HB LYS 36 -5.981 -2.633 5.718 257 HB3 LYS 36 2HB LYS 36 -5.088 -3.762 4.686 258 HG2 LYS 36 1HG LYS 36 -5.925 -5.645 6.203 259 HG3 LYS 36 2HG LYS 36 -7.038 -4.468 6.918 260 HD2 LYS 36 1HD LYS 36 -8.066 -4.066 4.717 261 HD3 LYS 36 2HD LYS 36 -6.860 -5.119 3.939 262 HE2 LYS 36 1HE LYS 36 -7.659 -7.044 5.260 263 HE3 LYS 36 2HE LYS 36 -8.866 -6.020 6.052 264 HZ1 LYS 36 3HZ LYS 36 -8.770 -6.606 3.138 265 HZ2 LYS 36 1HZ LYS 36 -9.888 -5.658 3.862 266 HZ3 LYS 36 2HZ LYS 36 -9.831 -7.253 4.193 267 H PHE 37 H PHE 37 -1.980 -4.405 6.418 268 HA PHE 37 HA PHE 37 -0.657 -1.878 5.650 269 HB2 PHE 37 1HB PHE 37 0.453 -4.680 6.118 270 HB3 PHE 37 2HB PHE 37 1.392 -3.208 5.922 271 HD1 PHE 37 2HD PHE 37 1.365 -1.413 7.665 272 HD2 PHE 37 1HD PHE 37 -0.626 -5.183 8.228 273 HE1 PHE 37 2HE PHE 37 1.087 -0.911 10.067 274 HE2 PHE 37 1HE PHE 37 -0.917 -4.681 10.635 275 HZ PHE 37 HZ PHE 37 -0.172 -2.499 11.543 276 H ALA 38 H ALA 38 -0.988 -1.307 3.579 277 HA ALA 38 HA ALA 38 -1.308 -3.357 1.472 278 HB1 ALA 38 1HB ALA 38 -2.289 -1.537 0.178 279 HB2 ALA 38 2HB ALA 38 -3.053 -1.602 1.782 280 HB3 ALA 38 3HB ALA 38 -1.832 -0.359 1.421 281 H CYS 39 H CYS 39 -0.113 -3.503 -0.411 282 HA CYS 39 HA CYS 39 2.567 -2.417 -0.434 283 HB2 CYS 39 1HB CYS 39 1.901 -4.592 -1.219 284 HB3 CYS 39 2HB CYS 39 0.874 -3.879 -2.463 285 H ASP 40 H ASP 40 3.431 -0.817 -1.538 286 HA ASP 40 HA ASP 40 1.681 1.288 -2.642 287 HB2 ASP 40 1HB ASP 40 3.595 1.753 -1.063 288 HB3 ASP 40 2HB ASP 40 4.705 1.243 -2.333 289 H TYR 41 H TYR 41 3.044 -1.515 -3.829 290 HA TYR 41 HA TYR 41 3.607 -0.410 -6.561 291 HB2 TYR 41 1HB TYR 41 4.827 -2.802 -5.140 292 HB3 TYR 41 2HB TYR 41 5.160 -2.281 -6.772 293 HD1 TYR 41 2HD TYR 41 5.549 -1.587 -3.192 294 HD2 TYR 41 1HD TYR 41 6.611 -0.300 -7.160 295 HE1 TYR 41 2HE TYR 41 7.374 -0.146 -2.240 296 HE2 TYR 41 1HE TYR 41 8.434 1.125 -6.222 297 HH TYR 41 HH TYR 41 9.483 1.863 -4.327 298 H CYS 42 H CYS 42 1.860 -2.889 -4.761 299 HA CYS 42 HA CYS 42 0.262 -3.352 -7.207 300 HB2 CYS 42 1HB CYS 42 0.203 -5.765 -6.988 301 HB3 CYS 42 2HB CYS 42 1.851 -5.196 -7.275 302 H SER 43 H SER 43 -1.621 -4.996 -6.523 303 HA SER 43 HA SER 43 -3.255 -3.612 -4.578 304 HB2 SER 43 1HB SER 43 -3.783 -6.226 -6.036 305 HB3 SER 43 2HB SER 43 -4.983 -5.209 -5.216 306 HG SER 43 HG SER 43 -4.934 -4.835 -7.483 307 H PHE 44 H PHE 44 -0.787 -5.671 -3.868 308 HA PHE 44 HA PHE 44 -1.884 -7.638 -2.184 309 HB2 PHE 44 1HB PHE 44 0.341 -7.754 -2.930 310 HB3 PHE 44 2HB PHE 44 0.787 -6.240 -2.187 311 HD1 PHE 44 1HD PHE 44 1.183 -6.078 0.266 312 HD2 PHE 44 2HD PHE 44 0.314 -9.841 -1.655 313 HE1 PHE 44 1HE PHE 44 2.078 -7.288 2.234 314 HE2 PHE 44 2HE PHE 44 1.219 -11.048 0.318 315 HZ PHE 44 HZ PHE 44 2.120 -9.774 2.255 316 H THR 45 H THR 45 -2.225 -7.807 -0.040 317 HA THR 45 HA THR 45 -1.725 -5.603 1.817 318 HB THR 45 HB THR 45 -3.958 -5.856 2.866 319 HG1 THR 45 1HG THR 45 -4.616 -7.796 1.808 320 HG21 THR 45 3HG2 THR 45 -5.150 -4.382 1.333 321 HG22 THR 45 1HG2 THR 45 -3.991 -4.778 0.036 322 HG23 THR 45 2HG2 THR 45 -3.443 -3.940 1.512 323 H CYS 46 H CYS 46 -1.536 -6.191 3.933 324 HA CYS 46 HA CYS 46 -1.970 -9.009 4.751 325 HB2 CYS 46 1HB CYS 46 0.380 -8.757 3.817 326 HB3 CYS 46 2HB CYS 46 0.726 -7.623 5.132 327 HG CYS 46 HG CYS 46 -0.374 -10.770 5.328 328 H LEU 47 H LEU 47 -1.734 -9.285 7.126 329 HA LEU 47 HA LEU 47 -2.499 -6.865 8.666 330 HB2 LEU 47 1HB LEU 47 -3.092 -9.772 8.919 331 HB3 LEU 47 2HB LEU 47 -2.805 -8.921 10.426 332 HG LEU 47 HG LEU 47 -4.517 -7.242 9.882 333 HD11 LEU 47 1HD1 LEU 47 -4.522 -7.291 7.429 334 HD12 LEU 47 2HD1 LEU 47 -6.131 -7.674 8.044 335 HD13 LEU 47 3HD1 LEU 47 -5.083 -8.979 7.437 336 HD21 LEU 47 3HD2 LEU 47 -5.502 -10.116 9.681 337 HD22 LEU 47 1HD2 LEU 47 -6.459 -8.709 10.199 338 HD23 LEU 47 2HD2 LEU 47 -5.092 -9.256 11.182 339 H SER 48 H SER 48 0.335 -7.868 7.751 340 HA SER 48 HA SER 48 1.636 -6.930 10.267 341 HB2 SER 48 1HB SER 48 2.056 -9.291 10.232 342 HB3 SER 48 2HB SER 48 2.541 -9.244 8.526 343 HG SER 48 HG SER 48 4.257 -9.198 10.242 344 H LYS 49 H LYS 49 2.667 -5.180 10.000 345 HA LYS 49 HA LYS 49 3.500 -3.934 7.565 346 HB2 LYS 49 1HB LYS 49 5.118 -2.736 9.273 347 HB3 LYS 49 2HB LYS 49 3.411 -2.366 9.172 348 HG2 LYS 49 1HG LYS 49 2.948 -3.757 11.149 349 HG3 LYS 49 2HG LYS 49 4.666 -4.211 11.248 350 HD2 LYS 49 1HD LYS 49 5.293 -1.896 11.693 351 HD3 LYS 49 2HD LYS 49 3.631 -1.339 11.382 352 HE2 LYS 49 1HE LYS 49 2.798 -2.667 13.275 353 HE3 LYS 49 2HE LYS 49 4.428 -3.277 13.598 354 HZ1 LYS 49 3HZ LYS 49 5.120 -0.984 14.070 355 HZ2 LYS 49 1HZ LYS 49 3.883 -1.402 15.047 356 HZ3 LYS 49 2HZ LYS 49 3.613 -0.421 13.774 357 H GLY 50 H GLY 50 5.104 -6.252 9.704 358 HA2 GLY 50 1HA GLY 50 7.770 -6.048 8.593 359 HA3 GLY 50 2HA GLY 50 7.112 -7.367 9.572 360 H HIS 51 H HIS 51 4.983 -8.274 7.955 361 HA HIS 51 HA HIS 51 6.398 -9.685 5.863 362 HB2 HIS 51 1HB HIS 51 4.478 -10.633 7.117 363 HB3 HIS 51 2HB HIS 51 3.418 -9.460 6.320 364 HD1 HIS 51 1HD HIS 51 2.036 -11.156 4.843 365 HD2 HIS 51 2HD HIS 51 6.205 -11.530 4.494 366 HE1 HIS 51 1HE HIS 51 2.448 -12.757 2.898 367 H LEU 52 H LEU 52 4.225 -6.813 5.817 368 HA LEU 52 HA LEU 52 4.162 -6.473 2.999 369 HB2 LEU 52 1HB LEU 52 2.743 -5.151 4.476 370 HB3 LEU 52 2HB LEU 52 4.151 -4.442 5.264 371 HG LEU 52 HG LEU 52 4.805 -3.314 3.150 372 HD11 LEU 52 1HD1 LEU 52 2.164 -4.408 2.083 373 HD12 LEU 52 2HD1 LEU 52 3.787 -4.862 1.502 374 HD13 LEU 52 3HD1 LEU 52 3.225 -3.212 1.305 375 HD21 LEU 52 3HD2 LEU 52 3.147 -1.608 3.152 376 HD22 LEU 52 1HD2 LEU 52 3.335 -2.183 4.817 377 HD23 LEU 52 2HD2 LEU 52 1.934 -2.695 3.840 378 H LYS 53 H LYS 53 6.666 -5.394 5.359 379 HA LYS 53 HA LYS 53 8.371 -4.113 3.430 380 HB2 LYS 53 1HB LYS 53 8.722 -3.676 5.730 381 HB3 LYS 53 2HB LYS 53 8.863 -5.381 6.149 382 HG2 LYS 53 1HG LYS 53 10.980 -5.599 5.007 383 HG3 LYS 53 2HG LYS 53 10.879 -3.959 4.361 384 HD2 LYS 53 1HD LYS 53 10.965 -4.660 7.333 385 HD3 LYS 53 2HD LYS 53 12.397 -4.267 6.362 386 HE2 LYS 53 1HE LYS 53 11.417 -2.035 5.830 387 HE3 LYS 53 2HE LYS 53 10.024 -2.409 6.854 388 HZ1 LYS 53 3HZ LYS 53 11.683 -1.118 8.064 389 HZ2 LYS 53 1HZ LYS 53 12.835 -2.241 7.804 390 HZ3 LYS 53 2HZ LYS 53 11.550 -2.592 8.750 391 H VAL 54 H VAL 54 8.414 -7.502 4.622 392 HA VAL 54 HA VAL 54 10.525 -8.355 2.906 393 HB VAL 54 HB VAL 54 8.235 -9.942 4.133 394 HG11 VAL 54 1HG1 VAL 54 9.704 -11.939 3.779 395 HG12 VAL 54 2HG1 VAL 54 9.119 -11.246 2.267 396 HG13 VAL 54 3HG1 VAL 54 10.788 -10.936 2.781 397 HG21 VAL 54 3HG2 VAL 54 9.814 -8.862 5.738 398 HG22 VAL 54 1HG2 VAL 54 9.948 -10.625 5.753 399 HG23 VAL 54 2HG2 VAL 54 11.171 -9.645 4.905 400 H HIS 55 H HIS 55 6.991 -8.284 2.305 401 HA HIS 55 HA HIS 55 6.998 -9.488 -0.241 402 HB2 HIS 55 1HB HIS 55 4.915 -9.096 0.893 403 HB3 HIS 55 2HB HIS 55 5.227 -7.369 1.022 404 HD1 HIS 55 1HD HIS 55 4.196 -9.946 -1.638 405 HD2 HIS 55 2HD HIS 55 4.534 -5.803 -1.009 406 HE1 HIS 55 1HE HIS 55 3.171 -8.850 -3.681 407 H ILE 56 H ILE 56 7.500 -6.007 0.565 408 HA ILE 56 HA ILE 56 7.887 -5.283 -2.224 409 HB ILE 56 HB ILE 56 8.566 -3.860 0.351 410 HG12 ILE 56 1HG1 ILE 56 6.303 -3.315 -1.618 411 HG13 ILE 56 2HG1 ILE 56 6.105 -4.319 -0.190 412 HG21 ILE 56 1HG2 ILE 56 10.009 -3.080 -1.534 413 HG22 ILE 56 2HG2 ILE 56 8.555 -2.789 -2.510 414 HG23 ILE 56 3HG2 ILE 56 8.867 -1.833 -1.046 415 HD11 ILE 56 3HD1 ILE 56 6.711 -2.443 1.279 416 HD12 ILE 56 1HD1 ILE 56 6.825 -1.374 -0.143 417 HD13 ILE 56 2HD1 ILE 56 5.277 -2.120 0.287 418 H GLU 57 H GLU 57 10.149 -6.148 0.393 419 HA GLU 57 HA GLU 57 12.576 -5.668 -1.068 420 HB2 GLU 57 1HB GLU 57 11.859 -7.439 1.292 421 HB3 GLU 57 2HB GLU 57 13.508 -7.280 0.715 422 HG2 GLU 57 1HG GLU 57 11.914 -4.799 1.448 423 HG3 GLU 57 2HG GLU 57 12.663 -5.815 2.671 424 H ARG 58 H ARG 58 10.347 -8.255 -1.252 425 HA ARG 58 HA ARG 58 12.280 -9.948 -2.814 426 HB2 ARG 58 1HB ARG 58 11.145 -11.856 -2.257 427 HB3 ARG 58 2HB ARG 58 11.029 -10.871 -0.814 428 HG2 ARG 58 1HG ARG 58 8.706 -10.188 -1.594 429 HG3 ARG 58 2HG ARG 58 8.857 -11.452 -2.835 430 HD2 ARG 58 1HD ARG 58 9.200 -13.127 -1.015 431 HD3 ARG 58 2HD ARG 58 8.991 -11.824 0.169 432 HE ARG 58 HE ARG 58 6.835 -12.419 -1.818 433 HH11 ARG 58 2HH1 ARG 58 7.739 -12.534 1.574 434 HH12 ARG 58 1HH1 ARG 58 6.063 -12.573 2.088 435 HH21 ARG 58 2HH2 ARG 58 4.748 -12.675 -1.039 436 HH22 ARG 58 1HH2 ARG 58 4.483 -12.685 0.684 437 H VAL 59 H VAL 59 9.026 -8.518 -3.172 438 HA VAL 59 HA VAL 59 8.912 -9.603 -5.879 439 HB VAL 59 HB VAL 59 6.818 -7.906 -4.477 440 HG11 VAL 59 1HG1 VAL 59 5.276 -8.873 -6.150 441 HG12 VAL 59 2HG1 VAL 59 6.543 -7.935 -6.936 442 HG13 VAL 59 3HG1 VAL 59 6.637 -9.709 -6.931 443 HG21 VAL 59 3HG2 VAL 59 7.124 -10.932 -4.687 444 HG22 VAL 59 1HG2 VAL 59 7.048 -9.943 -3.206 445 HG23 VAL 59 2HG2 VAL 59 5.620 -10.115 -4.211 446 H HIS 60 H HIS 60 9.014 -6.365 -4.350 447 HA HIS 60 HA HIS 60 9.243 -5.069 -7.011 448 HB2 HIS 60 1HB HIS 60 8.396 -3.849 -4.400 449 HB3 HIS 60 2HB HIS 60 8.270 -3.140 -6.008 450 HD1 HIS 60 1HD HIS 60 6.535 -4.708 -7.726 451 HD2 HIS 60 2HD HIS 60 6.308 -5.065 -3.543 452 HE1 HIS 60 1HE HIS 60 4.260 -5.740 -7.242 453 H LYS 61 H LYS 61 11.476 -6.260 -5.396 454 HA LYS 61 HA LYS 61 13.269 -3.947 -4.972 455 HB2 LYS 61 1HB LYS 61 13.200 -5.726 -3.376 456 HB3 LYS 61 2HB LYS 61 13.579 -6.942 -4.578 457 HG2 LYS 61 1HG LYS 61 15.511 -4.656 -4.065 458 HG3 LYS 61 2HG LYS 61 15.367 -5.925 -2.867 459 HD2 LYS 61 1HD LYS 61 16.247 -6.279 -5.752 460 HD3 LYS 61 2HD LYS 61 17.244 -6.402 -4.315 461 HE2 LYS 61 1HE LYS 61 15.045 -8.307 -5.214 462 HE3 LYS 61 2HE LYS 61 16.778 -8.608 -5.183 463 HZ1 LYS 61 3HZ LYS 61 15.027 -8.260 -2.794 464 HZ2 LYS 61 1HZ LYS 61 16.665 -8.397 -2.719 465 HZ3 LYS 61 2HZ LYS 61 15.760 -9.634 -3.276 466 H LYS 62 H LYS 62 15.215 -3.645 -6.167 467 HA LYS 62 HA LYS 62 16.145 -3.057 -8.094 468 HB2 LYS 62 1HB LYS 62 16.915 -5.461 -7.859 469 HB3 LYS 62 2HB LYS 62 15.757 -5.873 -9.131 470 HG2 LYS 62 1HG LYS 62 16.922 -4.243 -10.653 471 HG3 LYS 62 2HG LYS 62 18.048 -3.855 -9.340 472 HD2 LYS 62 1HD LYS 62 18.821 -6.214 -9.305 473 HD3 LYS 62 2HD LYS 62 17.681 -6.606 -10.610 474 HE2 LYS 62 1HE LYS 62 18.810 -4.955 -12.086 475 HE3 LYS 62 2HE LYS 62 19.945 -4.567 -10.788 476 HZ1 LYS 62 3HZ LYS 62 20.725 -6.878 -10.871 477 HZ2 LYS 62 1HZ LYS 62 20.891 -6.182 -12.336 478 HZ3 LYS 62 2HZ LYS 62 19.674 -7.236 -12.071 479 H ILE 63 H ILE 63 13.832 -2.058 -7.950 480 HA ILE 63 HA ILE 63 12.440 -2.341 -10.569 481 HB ILE 63 HB ILE 63 11.164 -2.786 -8.438 482 HG12 ILE 63 1HG1 ILE 63 10.012 -0.589 -10.200 483 HG13 ILE 63 2HG1 ILE 63 10.159 -2.285 -10.678 484 HG21 ILE 63 1HG2 ILE 63 11.170 0.256 -8.143 485 HG22 ILE 63 2HG2 ILE 63 10.361 -0.923 -7.099 486 HG23 ILE 63 3HG2 ILE 63 12.121 -0.851 -7.126 487 HD11 ILE 63 3HD1 ILE 63 7.906 -1.874 -9.908 488 HD12 ILE 63 1HD1 ILE 63 8.718 -2.941 -8.746 489 HD13 ILE 63 2HD1 ILE 63 8.486 -1.216 -8.371 490 H LYS 64 H LYS 64 11.860 -0.483 -11.770 491 HA LYS 64 HA LYS 64 13.812 1.645 -11.728 492 HB2 LYS 64 1HB LYS 64 11.235 1.346 -13.313 493 HB3 LYS 64 2HB LYS 64 12.426 2.615 -13.576 494 HG2 LYS 64 1HG LYS 64 12.977 -0.371 -13.889 495 HG3 LYS 64 2HG LYS 64 12.594 0.746 -15.198 496 HD2 LYS 64 1HD LYS 64 14.640 2.061 -14.705 497 HD3 LYS 64 2HD LYS 64 15.051 0.932 -13.398 498 HE2 LYS 64 1HE LYS 64 15.126 -0.939 -15.010 499 HE3 LYS 64 2HE LYS 64 14.713 0.166 -16.327 500 HZ1 LYS 64 3HZ LYS 64 16.793 1.353 -15.902 501 HZ2 LYS 64 1HZ LYS 64 17.116 -0.222 -16.182 502 HZ3 LYS 64 2HZ LYS 64 17.175 0.363 -14.657 503 H GLN 65 H GLN 65 13.802 3.576 -10.937 504 HA GLN 65 HA GLN 65 11.394 4.923 -9.813 505 HB2 GLN 65 1HB GLN 65 14.050 4.480 -8.368 506 HB3 GLN 65 2HB GLN 65 12.741 5.509 -7.790 507 HG2 GLN 65 1HG GLN 65 12.454 2.495 -8.141 508 HG3 GLN 65 2HG GLN 65 12.956 3.288 -6.663 509 HE21 GLN 65 1HE2 GLN 65 10.186 3.022 -8.940 510 HE22 GLN 65 2HE2 GLN 65 9.004 3.562 -7.745 511 H HIS 66 H HIS 66 12.022 7.321 -9.283 512 HA HIS 66 HA HIS 66 14.466 8.206 -10.638 513 HB2 HIS 66 1HB HIS 66 13.519 9.829 -12.039 514 HB3 HIS 66 2HB HIS 66 12.648 8.340 -12.365 515 HD1 HIS 66 1HD HIS 66 10.004 8.341 -11.618 516 HD2 HIS 66 2HD HIS 66 12.186 11.877 -10.976 517 HE1 HIS 66 1HE HIS 66 8.287 10.160 -11.129 518 H CYS 67 H CYS 67 15.262 10.207 -10.095 519 HA CYS 67 HA CYS 67 14.860 11.023 -7.348 520 HB2 CYS 67 1HB CYS 67 17.031 10.819 -8.513 521 HB3 CYS 67 2HB CYS 67 16.548 12.100 -9.631 522 H ARG 68 H ARG 68 13.695 12.623 -6.543 523 HA ARG 68 HA ARG 68 12.028 14.276 -8.302 524 HB2 ARG 68 1HB ARG 68 10.811 14.951 -6.464 525 HB3 ARG 68 2HB ARG 68 11.167 13.265 -6.172 526 HG2 ARG 68 1HG ARG 68 12.543 15.668 -4.873 527 HG3 ARG 68 2HG ARG 68 11.300 14.670 -4.140 528 HD2 ARG 68 1HD ARG 68 14.089 13.725 -4.901 529 HD3 ARG 68 2HD ARG 68 13.544 14.185 -3.301 530 HE ARG 68 HE ARG 68 12.335 11.877 -4.803 531 HH11 ARG 68 2HH1 ARG 68 13.442 13.155 -1.731 532 HH12 ARG 68 1HH1 ARG 68 13.049 11.682 -0.889 533 HH21 ARG 68 2HH2 ARG 68 11.892 10.036 -3.670 534 HH22 ARG 68 1HH2 ARG 68 12.197 9.977 -1.961 535 H PHE 69 H PHE 69 15.165 14.677 -7.162 536 HA PHE 69 HA PHE 69 14.997 17.645 -7.117 537 HB2 PHE 69 1HB PHE 69 17.285 15.789 -6.479 538 HB3 PHE 69 2HB PHE 69 17.290 17.530 -6.278 539 HD1 PHE 69 2HD PHE 69 15.336 18.496 -4.718 540 HD2 PHE 69 1HD PHE 69 16.830 14.455 -4.612 541 HE1 PHE 69 2HE PHE 69 14.577 18.274 -2.362 542 HE2 PHE 69 1HE PHE 69 16.116 14.252 -2.242 543 HZ PHE 69 HZ PHE 69 14.984 16.161 -1.115 544 H CYS 70 H CYS 70 16.473 15.034 -9.059 545 HA CYS 70 HA CYS 70 17.264 17.050 -11.107 546 HB2 CYS 70 1HB CYS 70 19.362 16.011 -11.473 547 HB3 CYS 70 2HB CYS 70 19.211 16.515 -9.795 548 H LYS 71 H LYS 71 15.212 14.576 -10.712 549 HA LYS 71 HA LYS 71 14.063 13.158 -12.038 550 HB2 LYS 71 1HB LYS 71 14.884 15.032 -14.271 551 HB3 LYS 71 2HB LYS 71 13.562 13.884 -14.336 552 HG2 LYS 71 1HG LYS 71 13.738 16.248 -12.415 553 HG3 LYS 71 2HG LYS 71 12.837 16.223 -13.919 554 HD2 LYS 71 1HD LYS 71 12.250 14.407 -11.534 555 HD3 LYS 71 2HD LYS 71 11.416 15.913 -11.917 556 HE2 LYS 71 1HE LYS 71 10.757 14.976 -14.138 557 HE3 LYS 71 2HE LYS 71 11.499 13.434 -13.696 558 HZ1 LYS 71 3HZ LYS 71 9.907 13.222 -11.889 559 HZ2 LYS 71 1HZ LYS 71 9.088 13.491 -13.269 560 HZ3 LYS 71 2HZ LYS 71 9.268 14.704 -12.194 561 H LYS 72 H LYS 72 17.116 12.716 -11.841 562 HA LYS 72 HA LYS 72 17.787 11.006 -14.060 563 HB2 LYS 72 1HB LYS 72 19.390 12.080 -12.385 564 HB3 LYS 72 2HB LYS 72 18.843 10.913 -11.203 565 HG2 LYS 72 1HG LYS 72 19.646 9.048 -12.562 566 HG3 LYS 72 2HG LYS 72 20.017 10.130 -13.916 567 HD2 LYS 72 1HD LYS 72 21.810 11.188 -12.674 568 HD3 LYS 72 2HD LYS 72 21.364 10.323 -11.194 569 HE2 LYS 72 1HE LYS 72 21.796 8.144 -12.402 570 HE3 LYS 72 2HE LYS 72 22.364 9.073 -13.795 571 HZ1 LYS 72 3HZ LYS 72 24.226 8.395 -12.436 572 HZ2 LYS 72 1HZ LYS 72 23.594 9.054 -11.088 573 HZ3 LYS 72 2HZ LYS 72 24.101 10.016 -12.318 574 H LYS 73 H LYS 73 17.454 8.839 -14.383 575 HA LYS 73 HA LYS 73 15.513 7.444 -12.635 576 HB2 LYS 73 1HB LYS 73 16.614 6.833 -15.392 577 HB3 LYS 73 2HB LYS 73 15.662 5.664 -14.459 578 HG2 LYS 73 1HG LYS 73 13.802 7.251 -14.264 579 HG3 LYS 73 2HG LYS 73 14.715 8.472 -15.168 580 HD2 LYS 73 1HD LYS 73 14.741 7.012 -17.157 581 HD3 LYS 73 2HD LYS 73 13.895 5.735 -16.249 582 HE2 LYS 73 1HE LYS 73 11.979 7.255 -15.876 583 HE3 LYS 73 2HE LYS 73 12.811 8.541 -16.760 584 HZ1 LYS 73 3HZ LYS 73 11.975 5.940 -17.936 585 HZ2 LYS 73 1HZ LYS 73 12.746 7.129 -18.749 586 HZ3 LYS 73 2HZ LYS 73 11.233 7.369 -18.189 587 H TYR 74 H TYR 74 15.770 5.580 -11.663 588 HA TYR 74 HA TYR 74 18.512 4.503 -11.163 589 HB2 TYR 74 1HB TYR 74 16.522 5.659 -9.195 590 HB3 TYR 74 2HB TYR 74 17.563 4.331 -8.699 591 HD1 TYR 74 1HD TYR 74 17.601 7.861 -9.942 592 HD2 TYR 74 2HD TYR 74 19.880 4.586 -8.313 593 HE1 TYR 74 1HE TYR 74 19.634 9.298 -9.924 594 HE2 TYR 74 2HE TYR 74 21.938 6.008 -8.343 595 HH TYR 74 HH TYR 74 21.873 9.404 -9.413 596 H SER 75 H SER 75 18.649 2.325 -10.736 597 HA SER 75 HA SER 75 16.269 0.752 -11.536 598 HB2 SER 75 1HB SER 75 19.179 -0.073 -11.388 599 HB3 SER 75 2HB SER 75 17.834 -1.064 -11.983 600 HG SER 75 HG SER 75 18.913 1.313 -13.088 601 H ASP 76 H ASP 76 17.350 1.678 -8.612 602 HA ASP 76 HA ASP 76 15.667 -0.305 -7.353 603 HB2 ASP 76 1HB ASP 76 18.032 -1.332 -7.200 604 HB3 ASP 76 2HB ASP 76 18.464 0.035 -6.193 605 H VAL 77 H VAL 77 14.699 0.557 -5.465 606 HA VAL 77 HA VAL 77 14.804 3.417 -5.168 607 HB VAL 77 HB VAL 77 12.834 1.955 -4.656 608 HG11 VAL 77 1HG1 VAL 77 14.159 1.407 -1.974 609 HG12 VAL 77 2HG1 VAL 77 12.551 0.904 -2.515 610 HG13 VAL 77 3HG1 VAL 77 13.987 0.207 -3.281 611 HG21 VAL 77 3HG2 VAL 77 12.015 3.333 -2.818 612 HG22 VAL 77 1HG2 VAL 77 13.669 3.831 -2.407 613 HG23 VAL 77 2HG2 VAL 77 12.945 4.318 -3.956 614 H LYS 78 H LYS 78 16.484 0.813 -3.360 615 HA LYS 78 HA LYS 78 17.470 2.584 -1.270 616 HB2 LYS 78 1HB LYS 78 18.551 -0.093 -2.221 617 HB3 LYS 78 2HB LYS 78 19.044 0.757 -0.764 618 HG2 LYS 78 1HG LYS 78 16.828 0.625 0.193 619 HG3 LYS 78 2HG LYS 78 16.153 -0.116 -1.255 620 HD2 LYS 78 1HD LYS 78 18.456 -1.520 0.114 621 HD3 LYS 78 2HD LYS 78 16.878 -1.526 0.889 622 HE2 LYS 78 1HE LYS 78 17.055 -3.528 -0.398 623 HE3 LYS 78 2HE LYS 78 15.819 -2.491 -1.104 624 HZ1 LYS 78 3HZ LYS 78 17.382 -1.858 -2.841 625 HZ2 LYS 78 1HZ LYS 78 17.278 -3.475 -2.790 626 HZ3 LYS 78 2HZ LYS 78 18.591 -2.741 -2.151 627 H ASN 79 H ASN 79 18.705 1.675 -4.490 628 HA ASN 79 HA ASN 79 21.182 3.147 -4.122 629 HB2 ASN 79 1HB ASN 79 19.720 2.202 -6.636 630 HB3 ASN 79 2HB ASN 79 21.303 2.973 -6.652 631 HD21 ASN 79 1HD2 ASN 79 21.157 0.536 -7.802 632 HD22 ASN 79 2HD2 ASN 79 21.949 -0.643 -6.769 633 H LEU 80 H LEU 80 17.949 4.103 -5.283 634 HA LEU 80 HA LEU 80 18.655 6.759 -6.053 635 HB2 LEU 80 1HB LEU 80 16.485 5.661 -6.574 636 HB3 LEU 80 2HB LEU 80 16.095 5.686 -4.851 637 HG LEU 80 HG LEU 80 16.068 8.131 -4.821 638 HD11 LEU 80 1HD1 LEU 80 17.638 8.532 -6.742 639 HD12 LEU 80 2HD1 LEU 80 16.119 9.400 -6.870 640 HD13 LEU 80 3HD1 LEU 80 16.373 7.932 -7.840 641 HD21 LEU 80 3HD2 LEU 80 13.989 8.413 -6.055 642 HD22 LEU 80 1HD2 LEU 80 14.000 6.831 -5.258 643 HD23 LEU 80 2HD2 LEU 80 14.316 6.949 -7.005 644 H ILE 81 H ILE 81 17.720 5.410 -2.829 645 HA ILE 81 HA ILE 81 17.835 7.881 -1.415 646 HB ILE 81 HB ILE 81 18.679 5.225 -0.228 647 HG12 ILE 81 1HG1 ILE 81 16.681 4.671 -1.217 648 HG13 ILE 81 2HG1 ILE 81 16.352 4.886 0.447 649 HG21 ILE 81 1HG2 ILE 81 17.714 6.231 1.841 650 HG22 ILE 81 2HG2 ILE 81 19.096 7.137 1.208 651 HG23 ILE 81 3HG2 ILE 81 17.444 7.744 0.946 652 HD11 ILE 81 3HD1 ILE 81 14.516 5.820 -0.849 653 HD12 ILE 81 1HD1 ILE 81 15.355 7.140 -0.011 654 HD13 ILE 81 2HD1 ILE 81 15.625 6.869 -1.748 655 H LYS 82 H LYS 82 20.402 5.458 -2.018 656 HA LYS 82 HA LYS 82 22.497 6.815 -0.666 657 HB2 LYS 82 1HB LYS 82 22.518 4.453 -1.496 658 HB3 LYS 82 2HB LYS 82 22.718 5.049 -3.150 659 HG2 LYS 82 1HG LYS 82 24.857 6.135 -2.499 660 HG3 LYS 82 2HG LYS 82 24.663 5.539 -0.845 661 HD2 LYS 82 1HD LYS 82 24.922 3.795 -3.340 662 HD3 LYS 82 2HD LYS 82 26.239 4.195 -2.228 663 HE2 LYS 82 1HE LYS 82 24.991 3.108 -0.362 664 HE3 LYS 82 2HE LYS 82 23.709 2.654 -1.493 665 HZ1 LYS 82 3HZ LYS 82 25.287 0.838 -1.170 666 HZ2 LYS 82 1HZ LYS 82 26.536 1.754 -1.680 667 HZ3 LYS 82 2HZ LYS 82 25.349 1.335 -2.724 668 H HIS 83 H HIS 83 21.442 7.188 -4.071 669 HA HIS 83 HA HIS 83 23.268 9.280 -4.808 670 HB2 HIS 83 1HB HIS 83 22.044 8.197 -6.514 671 HB3 HIS 83 2HB HIS 83 20.500 8.441 -5.724 672 HD1 HIS 83 1HD HIS 83 23.160 10.630 -7.496 673 HD2 HIS 83 2HD HIS 83 19.121 10.564 -6.330 674 HE1 HIS 83 1HE HIS 83 22.103 12.667 -8.578 675 H ILE 84 H ILE 84 19.987 9.563 -3.314 676 HA ILE 84 HA ILE 84 20.055 12.424 -3.185 677 HB ILE 84 HB ILE 84 18.554 10.315 -1.626 678 HG12 ILE 84 1HG1 ILE 84 17.478 12.350 -3.616 679 HG13 ILE 84 2HG1 ILE 84 18.138 10.806 -4.143 680 HG21 ILE 84 1HG2 ILE 84 18.712 12.238 -0.111 681 HG22 ILE 84 2HG2 ILE 84 18.267 13.349 -1.417 682 HG23 ILE 84 3HG2 ILE 84 17.087 12.182 -0.779 683 HD11 ILE 84 3HD1 ILE 84 15.765 11.148 -2.282 684 HD12 ILE 84 1HD1 ILE 84 15.749 10.597 -3.968 685 HD13 ILE 84 2HD1 ILE 84 16.521 9.598 -2.712 686 H ARG 85 H ARG 85 21.098 9.994 -0.781 687 HA ARG 85 HA ARG 85 22.055 11.840 1.197 688 HB2 ARG 85 1HB ARG 85 22.824 8.966 0.531 689 HB3 ARG 85 2HB ARG 85 23.477 9.847 1.916 690 HG2 ARG 85 1HG ARG 85 21.197 10.223 2.789 691 HG3 ARG 85 2HG ARG 85 20.506 9.350 1.427 692 HD2 ARG 85 1HD ARG 85 20.559 7.849 3.287 693 HD3 ARG 85 2HD ARG 85 21.771 7.305 2.114 694 HE ARG 85 HE ARG 85 22.994 9.050 4.045 695 HH11 ARG 85 1HH1 ARG 85 21.718 5.790 3.911 696 HH12 ARG 85 2HH1 ARG 85 22.753 5.236 5.198 697 HH21 ARG 85 2HH2 ARG 85 24.290 8.274 5.672 698 HH22 ARG 85 1HH2 ARG 85 24.166 6.612 6.166 699 H ASP 86 H ASP 86 23.569 10.900 -1.786 700 HA ASP 86 HA ASP 86 26.189 12.057 -0.974 701 HB2 ASP 86 1HB ASP 86 25.260 10.526 -3.423 702 HB3 ASP 86 2HB ASP 86 26.843 11.284 -3.302 703 H ALA 87 H ALA 87 23.669 12.690 -3.447 704 HA ALA 87 HA ALA 87 25.142 15.090 -4.371 705 HB1 ALA 87 1HB ALA 87 23.716 14.866 -6.344 706 HB2 ALA 87 2HB ALA 87 24.501 13.319 -5.969 707 HB3 ALA 87 3HB ALA 87 22.788 13.573 -5.560 708 H HIS 88 H HIS 88 22.143 14.295 -2.693 709 HA HIS 88 HA HIS 88 21.326 17.167 -2.666 710 HB2 HIS 88 1HB HIS 88 19.492 14.759 -2.749 711 HB3 HIS 88 2HB HIS 88 19.053 16.451 -2.893 712 HD1 HIS 88 1HD HIS 88 20.515 17.544 -5.310 713 HD2 HIS 88 2HD HIS 88 19.298 13.543 -4.955 714 HE1 HIS 88 1HE HIS 88 20.345 16.657 -7.690 715 H ASP 89 H ASP 89 22.957 15.796 -0.746 716 HA ASP 89 HA ASP 89 21.865 14.460 1.261 717 HB2 ASP 89 1HB ASP 89 23.747 14.935 2.605 718 HB3 ASP 89 2HB ASP 89 24.262 14.892 0.925 719 HA PRO 90 HA PRO 90 19.487 17.277 3.914 720 HB2 PRO 90 1HB PRO 90 18.705 15.539 5.829 721 HB3 PRO 90 2HB PRO 90 18.096 15.405 4.148 722 HG2 PRO 90 1HG PRO 90 20.376 13.864 5.436 723 HG3 PRO 90 2HG PRO 90 19.004 13.214 4.482 724 HD2 PRO 90 1HD PRO 90 21.483 13.756 3.402 725 HD3 PRO 90 2HD PRO 90 19.969 13.894 2.459 726 H GLN 91 H GLN 91 19.549 18.002 6.211 727 HA GLN 91 HA GLN 91 22.148 17.562 7.609 728 HB2 GLN 91 1HB GLN 91 20.691 20.221 7.313 729 HB3 GLN 91 2HB GLN 91 22.061 19.899 8.367 730 HG2 GLN 91 1HG GLN 91 22.987 20.962 6.472 731 HG3 GLN 91 2HG GLN 91 23.425 19.264 6.331 732 HE21 GLN 91 1HE2 GLN 91 23.424 18.785 4.085 733 HE22 GLN 91 2HE2 GLN 91 22.072 19.158 3.064 734 H ASP 92 H ASP 92 21.967 16.976 9.623 735 HA ASP 92 HA ASP 92 19.529 17.416 11.262 736 HB2 ASP 92 1HB ASP 92 19.170 15.286 10.088 737 HB3 ASP 92 2HB ASP 92 20.730 14.689 10.639 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -25.536 -40.292 -13.226 2 H2 GLY 1 2H GLY 1 -23.936 -40.075 -12.950 3 H3 GLY 1 3H GLY 1 -24.647 -39.358 -14.237 4 HA2 GLY 1 1HA GLY 1 -25.990 -37.967 -12.810 5 HA3 GLY 1 2HA GLY 1 -25.237 -38.753 -11.411 6 H SER 2 H SER 2 -25.211 -35.945 -11.916 7 HA SER 2 HA SER 2 -22.788 -35.023 -13.111 8 HB2 SER 2 1HB SER 2 -24.504 -33.691 -10.984 9 HB3 SER 2 2HB SER 2 -23.300 -32.895 -12.016 10 HG SER 2 HG SER 2 -25.439 -32.679 -12.842 11 H SER 3 H SER 3 -20.831 -34.331 -12.265 12 HA SER 3 HA SER 3 -19.899 -35.723 -9.864 13 HB2 SER 3 1HB SER 3 -17.674 -34.966 -10.651 14 HB3 SER 3 2HB SER 3 -18.591 -35.866 -11.872 15 HG SER 3 HG SER 3 -17.623 -33.957 -12.732 16 H GLY 4 H GLY 4 -20.896 -32.468 -10.548 17 HA2 GLY 4 1HA GLY 4 -19.302 -31.117 -8.537 18 HA3 GLY 4 2HA GLY 4 -20.702 -30.466 -9.378 19 H SER 5 H SER 5 -19.898 -30.322 -6.538 20 HA SER 5 HA SER 5 -22.478 -31.080 -5.278 21 HB2 SER 5 1HB SER 5 -19.756 -31.756 -4.083 22 HB3 SER 5 2HB SER 5 -21.317 -31.949 -3.275 23 HG SER 5 HG SER 5 -21.894 -33.451 -4.942 24 H SER 6 H SER 6 -23.030 -29.858 -3.473 25 HA SER 6 HA SER 6 -23.335 -27.996 -2.264 26 HB2 SER 6 1HB SER 6 -21.210 -28.815 -1.240 27 HB3 SER 6 2HB SER 6 -20.333 -27.623 -2.215 28 HG SER 6 HG SER 6 -20.995 -26.992 -0.013 29 H GLY 7 H GLY 7 -22.768 -25.603 -2.010 30 HA2 GLY 7 1HA GLY 7 -22.325 -24.177 -4.592 31 HA3 GLY 7 2HA GLY 7 -23.863 -23.943 -3.757 32 H LYS 8 H LYS 8 -21.379 -24.352 -1.462 33 HA LYS 8 HA LYS 8 -20.572 -22.960 0.148 34 HB2 LYS 8 1HB LYS 8 -19.668 -21.449 -2.307 35 HB3 LYS 8 2HB LYS 8 -19.059 -21.180 -0.669 36 HG2 LYS 8 1HG LYS 8 -18.351 -23.564 -0.533 37 HG3 LYS 8 2HG LYS 8 -18.860 -23.809 -2.206 38 HD2 LYS 8 1HD LYS 8 -16.699 -21.866 -1.280 39 HD3 LYS 8 2HD LYS 8 -16.419 -23.471 -1.968 40 HE2 LYS 8 1HE LYS 8 -17.566 -22.759 -4.069 41 HE3 LYS 8 2HE LYS 8 -17.775 -21.136 -3.396 42 HZ1 LYS 8 3HZ LYS 8 -15.800 -21.255 -4.797 43 HZ2 LYS 8 1HZ LYS 8 -15.157 -22.453 -3.899 44 HZ3 LYS 8 2HZ LYS 8 -15.340 -20.960 -3.259 45 HA PRO 9 HA PRO 9 -24.403 -20.269 -0.123 46 HB2 PRO 9 1HB PRO 9 -25.414 -21.006 2.380 47 HB3 PRO 9 2HB PRO 9 -25.732 -21.815 0.830 48 HG2 PRO 9 1HG PRO 9 -23.726 -22.614 2.906 49 HG3 PRO 9 2HG PRO 9 -24.897 -23.645 2.034 50 HD2 PRO 9 1HD PRO 9 -22.327 -23.454 1.237 51 HD3 PRO 9 2HD PRO 9 -23.641 -23.525 0.032 52 H TYR 10 H TYR 10 -22.031 -20.604 2.492 53 HA TYR 10 HA TYR 10 -22.819 -18.075 3.725 54 HB2 TYR 10 1HB TYR 10 -20.543 -19.993 4.307 55 HB3 TYR 10 2HB TYR 10 -20.980 -18.594 5.286 56 HD1 TYR 10 1HD TYR 10 -21.979 -21.982 4.210 57 HD2 TYR 10 2HD TYR 10 -23.048 -18.591 6.649 58 HE1 TYR 10 1HE TYR 10 -23.618 -23.382 5.414 59 HE2 TYR 10 2HE TYR 10 -24.738 -19.992 7.837 60 HH TYR 10 HH TYR 10 -25.228 -23.458 7.063 61 H LYS 11 H LYS 11 -22.332 -16.286 2.589 62 HA LYS 11 HA LYS 11 -19.706 -15.974 1.176 63 HB2 LYS 11 1HB LYS 11 -22.347 -14.484 0.906 64 HB3 LYS 11 2HB LYS 11 -20.841 -13.909 0.220 65 HG2 LYS 11 1HG LYS 11 -21.991 -14.926 -1.532 66 HG3 LYS 11 2HG LYS 11 -20.643 -15.991 -1.137 67 HD2 LYS 11 1HD LYS 11 -22.150 -17.563 -0.032 68 HD3 LYS 11 2HD LYS 11 -23.485 -16.403 -0.126 69 HE2 LYS 11 1HE LYS 11 -23.910 -17.997 -1.807 70 HE3 LYS 11 2HE LYS 11 -23.361 -16.542 -2.640 71 HZ1 LYS 11 3HZ LYS 11 -22.308 -18.579 -3.496 72 HZ2 LYS 11 1HZ LYS 11 -21.679 -18.917 -2.026 73 HZ3 LYS 11 2HZ LYS 11 -21.167 -17.594 -2.864 74 H CYS 12 H CYS 12 -18.388 -14.183 1.457 75 HA CYS 12 HA CYS 12 -18.423 -12.862 4.041 76 HB2 CYS 12 1HB CYS 12 -16.393 -13.623 3.025 77 HB3 CYS 12 2HB CYS 12 -16.673 -12.625 1.592 78 HA PRO 13 HA PRO 13 -20.736 -9.302 2.459 79 HB2 PRO 13 1HB PRO 13 -20.660 -7.701 4.654 80 HB3 PRO 13 2HB PRO 13 -21.598 -9.224 4.621 81 HG2 PRO 13 1HG PRO 13 -18.848 -8.746 5.794 82 HG3 PRO 13 2HG PRO 13 -20.230 -9.615 6.526 83 HD2 PRO 13 1HD PRO 13 -18.152 -10.866 5.167 84 HD3 PRO 13 2HD PRO 13 -19.803 -11.536 5.260 85 H GLN 14 H GLN 14 -17.364 -9.417 3.180 86 HA GLN 14 HA GLN 14 -16.935 -6.584 2.316 87 HB2 GLN 14 1HB GLN 14 -15.019 -8.348 3.868 88 HB3 GLN 14 2HB GLN 14 -14.888 -6.628 3.507 89 HG2 GLN 14 1HG GLN 14 -17.253 -6.545 4.766 90 HG3 GLN 14 2HG GLN 14 -16.688 -8.063 5.455 91 HE21 GLN 14 1HE2 GLN 14 -16.457 -7.287 7.613 92 HE22 GLN 14 2HE2 GLN 14 -15.287 -6.043 8.024 93 H CYS 15 H CYS 15 -16.119 -9.930 1.453 94 HA CYS 15 HA CYS 15 -14.943 -8.855 -1.048 95 HB2 CYS 15 1HB CYS 15 -12.937 -10.143 -0.920 96 HB3 CYS 15 2HB CYS 15 -13.057 -9.141 0.519 97 H SER 16 H SER 16 -14.174 -11.002 -2.370 98 HA SER 16 HA SER 16 -16.689 -12.195 -3.187 99 HB2 SER 16 1HB SER 16 -15.301 -13.208 -4.978 100 HB3 SER 16 2HB SER 16 -15.112 -11.452 -4.845 101 HG SER 16 HG SER 16 -13.089 -12.538 -5.054 102 H TYR 17 H TYR 17 -14.754 -13.111 -0.672 103 HA TYR 17 HA TYR 17 -14.393 -15.900 -0.956 104 HB2 TYR 17 1HB TYR 17 -13.321 -14.570 0.757 105 HB3 TYR 17 2HB TYR 17 -14.862 -14.157 1.482 106 HD1 TYR 17 1HD TYR 17 -12.410 -16.888 0.838 107 HD2 TYR 17 2HD TYR 17 -15.945 -15.744 3.040 108 HE1 TYR 17 1HE TYR 17 -12.156 -18.889 2.298 109 HE2 TYR 17 2HE TYR 17 -15.658 -17.721 4.522 110 HH TYR 17 HH TYR 17 -12.969 -20.050 4.077 111 H ALA 18 H ALA 18 -15.504 -17.683 -0.361 112 HA ALA 18 HA ALA 18 -18.025 -17.533 1.040 113 HB1 ALA 18 1HB ALA 18 -19.363 -18.725 -0.608 114 HB2 ALA 18 2HB ALA 18 -18.718 -17.253 -1.359 115 HB3 ALA 18 3HB ALA 18 -17.980 -18.825 -1.725 116 H SER 19 H SER 19 -18.715 -19.580 1.896 117 HA SER 19 HA SER 19 -17.057 -21.974 1.404 118 HB2 SER 19 1HB SER 19 -16.024 -20.654 3.337 119 HB3 SER 19 2HB SER 19 -17.491 -21.025 4.258 120 HG SER 19 HG SER 19 -15.593 -22.826 3.108 121 H ALA 20 H ALA 20 -17.939 -23.918 2.431 122 HA ALA 20 HA ALA 20 -20.868 -24.027 2.393 123 HB1 ALA 20 1HB ALA 20 -19.494 -25.670 1.169 124 HB2 ALA 20 2HB ALA 20 -18.781 -26.210 2.708 125 HB3 ALA 20 3HB ALA 20 -20.516 -26.440 2.399 126 H ILE 21 H ILE 21 -18.713 -23.265 4.810 127 HA ILE 21 HA ILE 21 -20.420 -24.427 6.986 128 HB ILE 21 HB ILE 21 -17.388 -24.222 6.846 129 HG12 ILE 21 1HG1 ILE 21 -19.219 -26.668 6.785 130 HG13 ILE 21 2HG1 ILE 21 -18.238 -26.068 5.449 131 HG21 ILE 21 1HG2 ILE 21 -17.361 -25.368 9.024 132 HG22 ILE 21 2HG2 ILE 21 -18.207 -23.852 9.135 133 HG23 ILE 21 3HG2 ILE 21 -19.141 -25.366 9.067 134 HD11 ILE 21 3HD1 ILE 21 -16.171 -26.531 6.800 135 HD12 ILE 21 1HD1 ILE 21 -17.210 -27.363 7.986 136 HD13 ILE 21 2HD1 ILE 21 -17.116 -27.956 6.325 137 H LYS 22 H LYS 22 -21.080 -22.977 8.540 138 HA LYS 22 HA LYS 22 -20.556 -20.173 8.216 139 HB2 LYS 22 1HB LYS 22 -22.620 -21.120 9.228 140 HB3 LYS 22 2HB LYS 22 -21.699 -21.470 10.705 141 HG2 LYS 22 1HG LYS 22 -21.117 -19.109 10.962 142 HG3 LYS 22 2HG LYS 22 -21.812 -18.712 9.378 143 HD2 LYS 22 1HD LYS 22 -24.036 -19.364 10.209 144 HD3 LYS 22 2HD LYS 22 -23.354 -19.666 11.819 145 HE2 LYS 22 1HE LYS 22 -23.320 -17.003 10.305 146 HE3 LYS 22 2HE LYS 22 -24.437 -17.414 11.606 147 HZ1 LYS 22 3HZ LYS 22 -22.590 -16.101 12.440 148 HZ2 LYS 22 1HZ LYS 22 -21.477 -17.171 11.916 149 HZ3 LYS 22 2HZ LYS 22 -22.525 -17.582 13.112 150 H ALA 23 H ALA 23 -19.101 -22.542 10.468 151 HA ALA 23 HA ALA 23 -17.529 -20.759 11.988 152 HB1 ALA 23 1HB ALA 23 -17.856 -23.158 12.498 153 HB2 ALA 23 2HB ALA 23 -16.837 -23.594 11.105 154 HB3 ALA 23 3HB ALA 23 -16.140 -22.713 12.476 155 H ASN 24 H ASN 24 -16.863 -22.069 8.729 156 HA ASN 24 HA ASN 24 -14.217 -20.921 8.490 157 HB2 ASN 24 1HB ASN 24 -16.290 -21.902 6.466 158 HB3 ASN 24 2HB ASN 24 -14.717 -21.318 6.005 159 HD21 ASN 24 1HD2 ASN 24 -15.298 -23.700 5.151 160 HD22 ASN 24 2HD2 ASN 24 -14.396 -24.930 6.045 161 H LEU 25 H LEU 25 -17.508 -19.691 7.630 162 HA LEU 25 HA LEU 25 -16.480 -17.206 6.582 163 HB2 LEU 25 1HB LEU 25 -18.720 -17.962 6.039 164 HB3 LEU 25 2HB LEU 25 -19.201 -17.900 7.738 165 HG LEU 25 HG LEU 25 -18.899 -15.452 7.770 166 HD11 LEU 25 1HD1 LEU 25 -18.573 -14.205 5.674 167 HD12 LEU 25 2HD1 LEU 25 -18.250 -15.719 4.797 168 HD13 LEU 25 3HD1 LEU 25 -17.139 -15.145 6.060 169 HD21 LEU 25 3HD2 LEU 25 -20.608 -16.319 5.414 170 HD22 LEU 25 1HD2 LEU 25 -20.803 -14.859 6.400 171 HD23 LEU 25 2HD2 LEU 25 -21.083 -16.452 7.127 172 H ASN 26 H ASN 26 -17.614 -18.094 9.894 173 HA ASN 26 HA ASN 26 -17.205 -15.605 11.157 174 HB2 ASN 26 1HB ASN 26 -16.527 -18.362 12.290 175 HB3 ASN 26 2HB ASN 26 -16.784 -16.908 13.229 176 HD21 ASN 26 1HD2 ASN 26 -17.981 -19.272 13.723 177 HD22 ASN 26 2HD2 ASN 26 -19.722 -19.089 13.504 178 H VAL 27 H VAL 27 -14.805 -18.236 10.617 179 HA VAL 27 HA VAL 27 -12.685 -16.849 11.927 180 HB VAL 27 HB VAL 27 -13.037 -19.403 11.220 181 HG11 VAL 27 1HG1 VAL 27 -12.571 -19.216 8.837 182 HG12 VAL 27 2HG1 VAL 27 -10.946 -18.585 9.196 183 HG13 VAL 27 3HG1 VAL 27 -11.412 -20.229 9.678 184 HG21 VAL 27 3HG2 VAL 27 -11.518 -18.495 12.895 185 HG22 VAL 27 1HG2 VAL 27 -10.677 -19.709 11.910 186 HG23 VAL 27 2HG2 VAL 27 -10.401 -17.969 11.597 187 H HIS 28 H HIS 28 -13.611 -17.056 8.563 188 HA HIS 28 HA HIS 28 -11.411 -15.764 7.410 189 HB2 HIS 28 1HB HIS 28 -13.027 -16.992 6.138 190 HB3 HIS 28 2HB HIS 28 -14.349 -15.943 6.636 191 HD1 HIS 28 1HD HIS 28 -11.461 -15.881 4.135 192 HD2 HIS 28 2HD HIS 28 -14.692 -13.571 5.491 193 HE1 HIS 28 1HE HIS 28 -11.552 -13.846 2.610 194 H LEU 29 H LEU 29 -14.370 -14.298 8.781 195 HA LEU 29 HA LEU 29 -14.003 -11.641 7.887 196 HB2 LEU 29 1HB LEU 29 -15.260 -12.734 10.426 197 HB3 LEU 29 2HB LEU 29 -15.422 -11.058 9.924 198 HG LEU 29 HG LEU 29 -16.318 -13.354 8.148 199 HD11 LEU 29 1HD1 LEU 29 -18.598 -12.960 8.985 200 HD12 LEU 29 2HD1 LEU 29 -17.984 -11.748 10.135 201 HD13 LEU 29 3HD1 LEU 29 -17.535 -13.459 10.307 202 HD21 LEU 29 3HD2 LEU 29 -17.043 -10.407 8.195 203 HD22 LEU 29 1HD2 LEU 29 -17.781 -11.654 7.168 204 HD23 LEU 29 2HD2 LEU 29 -16.077 -11.251 6.955 205 H ARG 30 H ARG 30 -12.351 -13.307 10.468 206 HA ARG 30 HA ARG 30 -11.442 -11.154 12.046 207 HB2 ARG 30 1HB ARG 30 -10.016 -13.777 11.410 208 HB3 ARG 30 2HB ARG 30 -9.636 -12.707 12.753 209 HG2 ARG 30 1HG ARG 30 -11.896 -13.060 13.716 210 HG3 ARG 30 2HG ARG 30 -12.311 -14.120 12.366 211 HD2 ARG 30 1HD ARG 30 -11.727 -15.531 14.211 212 HD3 ARG 30 2HD ARG 30 -10.465 -15.659 12.994 213 HE ARG 30 HE ARG 30 -8.930 -14.691 14.446 214 HH11 ARG 30 2HH1 ARG 30 -12.093 -14.290 15.911 215 HH12 ARG 30 1HH1 ARG 30 -11.417 -13.769 17.430 216 HH21 ARG 30 2HH2 ARG 30 -8.146 -14.013 16.405 217 HH22 ARG 30 1HH2 ARG 30 -9.244 -13.618 17.695 218 H LYS 31 H LYS 31 -10.278 -12.143 8.893 219 HA LYS 31 HA LYS 31 -7.825 -10.551 9.063 220 HB2 LYS 31 1HB LYS 31 -7.269 -11.387 7.009 221 HB3 LYS 31 2HB LYS 31 -8.279 -12.663 7.677 222 HG2 LYS 31 1HG LYS 31 -10.203 -11.751 6.268 223 HG3 LYS 31 2HG LYS 31 -9.076 -10.584 5.585 224 HD2 LYS 31 1HD LYS 31 -9.282 -12.425 4.049 225 HD3 LYS 31 2HD LYS 31 -7.651 -12.417 4.733 226 HE2 LYS 31 1HE LYS 31 -8.423 -14.194 6.383 227 HE3 LYS 31 2HE LYS 31 -9.967 -14.243 5.533 228 HZ1 LYS 31 3HZ LYS 31 -8.697 -14.900 3.508 229 HZ2 LYS 31 1HZ LYS 31 -8.429 -15.964 4.725 230 HZ3 LYS 31 2HZ LYS 31 -7.300 -14.858 4.347 231 H HIS 32 H HIS 32 -11.051 -9.815 8.299 232 HA HIS 32 HA HIS 32 -10.398 -7.230 7.001 233 HB2 HIS 32 1HB HIS 32 -13.082 -8.439 7.762 234 HB3 HIS 32 2HB HIS 32 -12.818 -6.967 6.837 235 HD1 HIS 32 1HD HIS 32 -11.064 -7.619 4.513 236 HD2 HIS 32 2HD HIS 32 -13.803 -10.342 6.159 237 HE1 HIS 32 1HE HIS 32 -11.535 -9.306 2.681 238 H THR 33 H THR 33 -11.187 -8.421 10.242 239 HA THR 33 HA THR 33 -11.791 -5.750 11.300 240 HB THR 33 HB THR 33 -11.936 -6.754 13.454 241 HG1 THR 33 1HG THR 33 -11.336 -8.850 13.845 242 HG21 THR 33 3HG2 THR 33 -13.613 -8.450 13.127 243 HG22 THR 33 1HG2 THR 33 -12.983 -8.836 11.513 244 HG23 THR 33 2HG2 THR 33 -13.785 -7.273 11.803 245 H GLY 34 H GLY 34 -8.992 -7.887 11.211 246 HA2 GLY 34 1HA GLY 34 -7.231 -6.360 12.867 247 HA3 GLY 34 2HA GLY 34 -6.813 -7.601 11.687 248 H GLU 35 H GLU 35 -5.182 -5.333 12.125 249 HA GLU 35 HA GLU 35 -5.840 -3.178 10.314 250 HB2 GLU 35 1HB GLU 35 -4.531 -2.958 12.447 251 HB3 GLU 35 2HB GLU 35 -3.154 -3.717 11.613 252 HG2 GLU 35 1HG GLU 35 -3.042 -1.892 10.016 253 HG3 GLU 35 2HG GLU 35 -4.587 -1.243 10.569 254 H LYS 36 H LYS 36 -5.570 -2.948 8.292 255 HA LYS 36 HA LYS 36 -3.986 -4.917 6.722 256 HB2 LYS 36 1HB LYS 36 -6.445 -3.246 6.234 257 HB3 LYS 36 2HB LYS 36 -5.495 -3.827 4.871 258 HG2 LYS 36 1HG LYS 36 -6.231 -5.839 7.011 259 HG3 LYS 36 2HG LYS 36 -7.504 -5.253 5.940 260 HD2 LYS 36 1HD LYS 36 -6.014 -5.826 3.965 261 HD3 LYS 36 2HD LYS 36 -4.859 -6.550 5.106 262 HE2 LYS 36 1HE LYS 36 -6.672 -8.144 5.815 263 HE3 LYS 36 2HE LYS 36 -7.746 -7.401 4.623 264 HZ1 LYS 36 3HZ LYS 36 -6.761 -9.300 3.581 265 HZ2 LYS 36 1HZ LYS 36 -5.245 -8.897 4.041 266 HZ3 LYS 36 2HZ LYS 36 -6.003 -8.006 2.911 267 H PHE 37 H PHE 37 -2.071 -4.354 6.458 268 HA PHE 37 HA PHE 37 -1.307 -1.639 5.534 269 HB2 PHE 37 1HB PHE 37 0.537 -4.009 5.898 270 HB3 PHE 37 2HB PHE 37 0.915 -2.279 5.878 271 HD1 PHE 37 2HD PHE 37 0.479 -0.841 7.825 272 HD2 PHE 37 1HD PHE 37 -0.292 -5.083 7.898 273 HE1 PHE 37 2HE PHE 37 0.164 -0.744 10.259 274 HE2 PHE 37 1HE PHE 37 -0.553 -4.996 10.347 275 HZ PHE 37 HZ PHE 37 -0.438 -2.815 11.542 276 H ALA 38 H ALA 38 -1.478 -1.192 3.436 277 HA ALA 38 HA ALA 38 -1.511 -3.310 1.385 278 HB1 ALA 38 1HB ALA 38 -3.265 -1.548 1.420 279 HB2 ALA 38 2HB ALA 38 -2.005 -0.318 1.146 280 HB3 ALA 38 3HB ALA 38 -2.329 -1.546 -0.091 281 H CYS 39 H CYS 39 -0.186 -3.485 -0.428 282 HA CYS 39 HA CYS 39 2.515 -2.474 -0.267 283 HB2 CYS 39 1HB CYS 39 1.911 -4.624 -1.113 284 HB3 CYS 39 2HB CYS 39 0.896 -3.922 -2.366 285 H ASP 40 H ASP 40 3.539 -0.990 -1.416 286 HA ASP 40 HA ASP 40 1.960 1.266 -2.474 287 HB2 ASP 40 1HB ASP 40 3.902 1.534 -0.884 288 HB3 ASP 40 2HB ASP 40 4.973 0.972 -2.166 289 H TYR 41 H TYR 41 3.188 -1.601 -3.737 290 HA TYR 41 HA TYR 41 3.715 -0.437 -6.462 291 HB2 TYR 41 1HB TYR 41 4.865 -2.901 -5.116 292 HB3 TYR 41 2HB TYR 41 5.123 -2.441 -6.789 293 HD1 TYR 41 2HD TYR 41 5.635 -1.495 -3.258 294 HD2 TYR 41 1HD TYR 41 6.845 -0.829 -7.337 295 HE1 TYR 41 2HE TYR 41 7.603 -0.178 -2.454 296 HE2 TYR 41 1HE TYR 41 8.842 0.440 -6.549 297 HH TYR 41 HH TYR 41 9.488 0.995 -3.059 298 H CYS 42 H CYS 42 1.901 -2.877 -4.681 299 HA CYS 42 HA CYS 42 0.269 -3.274 -7.110 300 HB2 CYS 42 1HB CYS 42 0.171 -5.686 -6.926 301 HB3 CYS 42 2HB CYS 42 1.830 -5.143 -7.197 302 H SER 43 H SER 43 -1.661 -4.827 -6.495 303 HA SER 43 HA SER 43 -3.251 -3.470 -4.498 304 HB2 SER 43 1HB SER 43 -3.876 -5.990 -6.077 305 HB3 SER 43 2HB SER 43 -5.039 -4.961 -5.219 306 HG SER 43 HG SER 43 -4.959 -4.485 -7.466 307 H PHE 44 H PHE 44 -0.863 -5.616 -3.835 308 HA PHE 44 HA PHE 44 -2.046 -7.598 -2.204 309 HB2 PHE 44 1HB PHE 44 0.203 -7.736 -2.961 310 HB3 PHE 44 2HB PHE 44 0.674 -6.278 -2.113 311 HD1 PHE 44 2HD PHE 44 -0.457 -9.812 -1.604 312 HD2 PHE 44 1HD PHE 44 1.513 -6.386 0.120 313 HE1 PHE 44 2HE PHE 44 0.295 -11.201 0.317 314 HE2 PHE 44 1HE PHE 44 2.299 -7.789 2.014 315 HZ PHE 44 HZ PHE 44 1.674 -10.190 2.125 316 H THR 45 H THR 45 -2.326 -7.779 -0.028 317 HA THR 45 HA THR 45 -1.824 -5.532 1.765 318 HB THR 45 HB THR 45 -3.942 -5.749 2.918 319 HG1 THR 45 1HG THR 45 -4.841 -7.193 0.658 320 HG21 THR 45 3HG2 THR 45 -3.664 -3.958 1.359 321 HG22 THR 45 1HG2 THR 45 -5.351 -4.509 1.345 322 HG23 THR 45 2HG2 THR 45 -4.251 -4.957 0.009 323 H CYS 46 H CYS 46 -1.648 -6.051 3.896 324 HA CYS 46 HA CYS 46 -1.459 -8.947 4.618 325 HB2 CYS 46 1HB CYS 46 0.722 -7.993 3.705 326 HB3 CYS 46 2HB CYS 46 0.771 -6.935 5.125 327 HG CYS 46 HG CYS 46 2.383 -8.927 5.508 328 H LEU 47 H LEU 47 -1.461 -9.402 6.831 329 HA LEU 47 HA LEU 47 -2.650 -7.364 8.620 330 HB2 LEU 47 1HB LEU 47 -2.365 -10.377 8.710 331 HB3 LEU 47 2HB LEU 47 -2.733 -9.475 10.160 332 HG LEU 47 HG LEU 47 -4.725 -10.425 9.172 333 HD11 LEU 47 1HD1 LEU 47 -4.838 -8.291 10.473 334 HD12 LEU 47 2HD1 LEU 47 -6.167 -8.514 9.318 335 HD13 LEU 47 3HD1 LEU 47 -4.848 -7.399 8.936 336 HD21 LEU 47 3HD2 LEU 47 -5.730 -9.643 7.132 337 HD22 LEU 47 1HD2 LEU 47 -4.117 -10.284 6.763 338 HD23 LEU 47 2HD2 LEU 47 -4.394 -8.521 6.827 339 H SER 48 H SER 48 0.422 -8.113 7.748 340 HA SER 48 HA SER 48 1.539 -7.056 10.306 341 HB2 SER 48 1HB SER 48 2.117 -9.397 10.305 342 HB3 SER 48 2HB SER 48 2.668 -9.317 8.620 343 HG SER 48 HG SER 48 4.314 -9.147 10.386 344 H LYS 49 H LYS 49 2.380 -5.223 10.033 345 HA LYS 49 HA LYS 49 3.160 -3.949 7.619 346 HB2 LYS 49 1HB LYS 49 4.370 -2.417 9.115 347 HB3 LYS 49 2HB LYS 49 2.676 -2.662 9.550 348 HG2 LYS 49 1HG LYS 49 3.489 -4.226 11.401 349 HG3 LYS 49 2HG LYS 49 5.141 -3.786 10.944 350 HD2 LYS 49 1HD LYS 49 4.624 -2.384 12.763 351 HD3 LYS 49 2HD LYS 49 4.475 -1.345 11.331 352 HE2 LYS 49 1HE LYS 49 2.021 -1.649 11.364 353 HE3 LYS 49 2HE LYS 49 2.157 -2.730 12.757 354 HZ1 LYS 49 3HZ LYS 49 3.061 -0.858 14.032 355 HZ2 LYS 49 1HZ LYS 49 1.591 -0.470 13.443 356 HZ3 LYS 49 2HZ LYS 49 2.934 0.141 12.745 357 H GLY 50 H GLY 50 4.895 -6.125 9.746 358 HA2 GLY 50 1HA GLY 50 7.569 -5.529 8.761 359 HA3 GLY 50 2HA GLY 50 7.058 -6.824 9.842 360 H HIS 51 H HIS 51 5.128 -8.132 8.094 361 HA HIS 51 HA HIS 51 6.867 -9.497 6.205 362 HB2 HIS 51 1HB HIS 51 4.897 -10.464 7.527 363 HB3 HIS 51 2HB HIS 51 3.850 -9.667 6.354 364 HD1 HIS 51 1HD HIS 51 5.342 -12.933 6.896 365 HD2 HIS 51 2HD HIS 51 4.763 -10.390 3.609 366 HE1 HIS 51 1HE HIS 51 5.505 -14.407 4.825 367 H LEU 52 H LEU 52 4.405 -6.897 5.950 368 HA LEU 52 HA LEU 52 4.252 -6.724 3.135 369 HB2 LEU 52 1HB LEU 52 2.752 -5.499 4.588 370 HB3 LEU 52 2HB LEU 52 4.095 -4.628 5.324 371 HG LEU 52 HG LEU 52 4.560 -3.472 3.172 372 HD11 LEU 52 1HD1 LEU 52 2.898 -3.576 1.381 373 HD12 LEU 52 2HD1 LEU 52 2.005 -4.857 2.220 374 HD13 LEU 52 3HD1 LEU 52 3.642 -5.150 1.578 375 HD21 LEU 52 3HD2 LEU 52 2.725 -1.957 3.293 376 HD22 LEU 52 1HD2 LEU 52 3.011 -2.556 4.939 377 HD23 LEU 52 2HD2 LEU 52 1.668 -3.208 3.968 378 H LYS 53 H LYS 53 6.814 -5.402 5.324 379 HA LYS 53 HA LYS 53 8.293 -4.056 3.268 380 HB2 LYS 53 1HB LYS 53 8.779 -3.494 5.494 381 HB3 LYS 53 2HB LYS 53 8.894 -5.175 6.013 382 HG2 LYS 53 1HG LYS 53 10.965 -5.492 4.804 383 HG3 LYS 53 2HG LYS 53 10.897 -3.841 4.154 384 HD2 LYS 53 1HD LYS 53 11.236 -2.884 6.342 385 HD3 LYS 53 2HD LYS 53 10.908 -4.443 7.151 386 HE2 LYS 53 1HE LYS 53 12.833 -5.458 6.066 387 HE3 LYS 53 2HE LYS 53 13.197 -3.952 5.214 388 HZ1 LYS 53 3HZ LYS 53 14.578 -4.188 7.208 389 HZ2 LYS 53 1HZ LYS 53 13.267 -4.294 8.172 390 HZ3 LYS 53 2HZ LYS 53 13.594 -2.898 7.386 391 H VAL 54 H VAL 54 8.538 -7.424 4.529 392 HA VAL 54 HA VAL 54 10.625 -8.252 2.802 393 HB VAL 54 HB VAL 54 8.319 -10.002 3.795 394 HG11 VAL 54 1HG1 VAL 54 9.962 -11.830 3.657 395 HG12 VAL 54 2HG1 VAL 54 9.678 -11.083 2.082 396 HG13 VAL 54 3HG1 VAL 54 11.160 -10.701 2.972 397 HG21 VAL 54 3HG2 VAL 54 9.334 -8.896 5.716 398 HG22 VAL 54 1HG2 VAL 54 9.765 -10.600 5.683 399 HG23 VAL 54 2HG2 VAL 54 10.957 -9.376 5.167 400 H HIS 55 H HIS 55 7.076 -8.399 2.245 401 HA HIS 55 HA HIS 55 7.050 -9.563 -0.326 402 HB2 HIS 55 1HB HIS 55 5.010 -9.200 0.876 403 HB3 HIS 55 2HB HIS 55 5.339 -7.482 1.035 404 HD1 HIS 55 1HD HIS 55 4.132 -10.015 -1.594 405 HD2 HIS 55 2HD HIS 55 4.582 -5.876 -0.997 406 HE1 HIS 55 1HE HIS 55 3.012 -8.905 -3.575 407 H ILE 56 H ILE 56 7.611 -6.099 0.509 408 HA ILE 56 HA ILE 56 7.984 -5.369 -2.293 409 HB ILE 56 HB ILE 56 8.634 -3.929 0.285 410 HG12 ILE 56 1HG1 ILE 56 6.413 -3.371 -1.735 411 HG13 ILE 56 2HG1 ILE 56 6.177 -4.398 -0.327 412 HG21 ILE 56 1HG2 ILE 56 10.116 -3.172 -1.566 413 HG22 ILE 56 2HG2 ILE 56 8.690 -2.910 -2.596 414 HG23 ILE 56 3HG2 ILE 56 8.950 -1.919 -1.144 415 HD11 ILE 56 3HD1 ILE 56 5.342 -2.215 0.170 416 HD12 ILE 56 1HD1 ILE 56 6.756 -2.553 1.185 417 HD13 ILE 56 2HD1 ILE 56 6.899 -1.458 -0.217 418 H GLU 57 H GLU 57 10.220 -6.269 0.350 419 HA GLU 57 HA GLU 57 12.662 -5.817 -1.066 420 HB2 GLU 57 1HB GLU 57 12.020 -7.771 1.173 421 HB3 GLU 57 2HB GLU 57 13.635 -7.440 0.554 422 HG2 GLU 57 1HG GLU 57 13.365 -5.053 1.104 423 HG3 GLU 57 2HG GLU 57 11.849 -5.385 1.897 424 H ARG 58 H ARG 58 10.371 -8.359 -1.407 425 HA ARG 58 HA ARG 58 12.301 -10.041 -2.979 426 HB2 ARG 58 1HB ARG 58 11.147 -11.955 -2.404 427 HB3 ARG 58 2HB ARG 58 11.138 -10.965 -0.962 428 HG2 ARG 58 1HG ARG 58 8.772 -10.241 -1.622 429 HG3 ARG 58 2HG ARG 58 8.826 -11.552 -2.820 430 HD2 ARG 58 1HD ARG 58 9.242 -13.188 -1.017 431 HD3 ARG 58 2HD ARG 58 9.283 -11.867 0.159 432 HE ARG 58 HE ARG 58 6.807 -12.311 -1.441 433 HH11 ARG 58 2HH1 ARG 58 8.296 -12.626 1.732 434 HH12 ARG 58 1HH1 ARG 58 6.735 -12.627 2.531 435 HH21 ARG 58 2HH2 ARG 58 4.867 -12.508 -0.280 436 HH22 ARG 58 1HH2 ARG 58 4.942 -12.605 1.462 437 H VAL 59 H VAL 59 9.059 -8.581 -3.268 438 HA VAL 59 HA VAL 59 8.887 -9.669 -5.972 439 HB VAL 59 HB VAL 59 6.819 -7.968 -4.537 440 HG11 VAL 59 1HG1 VAL 59 6.596 -9.800 -6.963 441 HG12 VAL 59 2HG1 VAL 59 5.251 -8.949 -6.170 442 HG13 VAL 59 3HG1 VAL 59 6.507 -8.026 -6.992 443 HG21 VAL 59 3HG2 VAL 59 7.090 -10.013 -3.260 444 HG22 VAL 59 1HG2 VAL 59 5.623 -10.157 -4.211 445 HG23 VAL 59 2HG2 VAL 59 7.096 -10.999 -4.743 446 H HIS 60 H HIS 60 9.072 -6.442 -4.428 447 HA HIS 60 HA HIS 60 9.252 -5.152 -7.099 448 HB2 HIS 60 1HB HIS 60 8.349 -3.921 -4.507 449 HB3 HIS 60 2HB HIS 60 8.168 -3.274 -6.134 450 HD1 HIS 60 1HD HIS 60 6.422 -4.911 -7.750 451 HD2 HIS 60 2HD HIS 60 6.313 -5.121 -3.555 452 HE1 HIS 60 1HE HIS 60 4.137 -5.866 -7.161 453 H LYS 61 H LYS 61 11.528 -6.151 -5.358 454 HA LYS 61 HA LYS 61 13.008 -3.710 -4.660 455 HB2 LYS 61 1HB LYS 61 13.019 -5.555 -3.206 456 HB3 LYS 61 2HB LYS 61 13.577 -6.673 -4.427 457 HG2 LYS 61 1HG LYS 61 15.252 -4.295 -3.497 458 HG3 LYS 61 2HG LYS 61 15.185 -5.783 -2.572 459 HD2 LYS 61 1HD LYS 61 16.314 -5.431 -5.360 460 HD3 LYS 61 2HD LYS 61 17.172 -5.854 -3.890 461 HE2 LYS 61 1HE LYS 61 15.192 -7.560 -5.450 462 HE3 LYS 61 2HE LYS 61 16.935 -7.779 -5.357 463 HZ1 LYS 61 3HZ LYS 61 16.667 -8.239 -2.950 464 HZ2 LYS 61 1HZ LYS 61 15.839 -9.310 -3.855 465 HZ3 LYS 61 2HZ LYS 61 15.035 -8.124 -3.077 466 H LYS 62 H LYS 62 14.621 -2.783 -5.689 467 HA LYS 62 HA LYS 62 15.597 -1.883 -7.518 468 HB2 LYS 62 1HB LYS 62 16.661 -4.716 -7.733 469 HB3 LYS 62 2HB LYS 62 17.262 -3.375 -8.716 470 HG2 LYS 62 1HG LYS 62 17.920 -2.110 -6.748 471 HG3 LYS 62 2HG LYS 62 17.278 -3.356 -5.669 472 HD2 LYS 62 1HD LYS 62 18.872 -5.007 -6.639 473 HD3 LYS 62 2HD LYS 62 19.559 -3.747 -7.668 474 HE2 LYS 62 1HE LYS 62 19.504 -3.683 -4.612 475 HE3 LYS 62 2HE LYS 62 20.866 -4.264 -5.572 476 HZ1 LYS 62 3HZ LYS 62 19.804 -1.488 -5.642 477 HZ2 LYS 62 1HZ LYS 62 21.041 -2.040 -6.561 478 HZ3 LYS 62 2HZ LYS 62 21.197 -1.961 -4.941 479 H ILE 63 H ILE 63 13.096 -2.099 -7.972 480 HA ILE 63 HA ILE 63 12.607 -3.175 -10.687 481 HB ILE 63 HB ILE 63 11.044 -3.537 -8.718 482 HG12 ILE 63 1HG1 ILE 63 9.701 -2.319 -11.155 483 HG13 ILE 63 2HG1 ILE 63 10.495 -3.900 -11.166 484 HG21 ILE 63 1HG2 ILE 63 10.059 -0.720 -9.370 485 HG22 ILE 63 2HG2 ILE 63 9.453 -1.818 -8.119 486 HG23 ILE 63 3HG2 ILE 63 11.059 -1.110 -7.950 487 HD11 ILE 63 3HD1 ILE 63 8.953 -4.688 -9.386 488 HD12 ILE 63 1HD1 ILE 63 8.110 -3.118 -9.437 489 HD13 ILE 63 2HD1 ILE 63 8.105 -4.176 -10.855 490 H LYS 64 H LYS 64 11.632 -1.898 -12.337 491 HA LYS 64 HA LYS 64 11.712 1.049 -12.080 492 HB2 LYS 64 1HB LYS 64 12.615 1.393 -14.283 493 HB3 LYS 64 2HB LYS 64 13.768 0.529 -13.266 494 HG2 LYS 64 1HG LYS 64 13.170 -1.609 -14.404 495 HG3 LYS 64 2HG LYS 64 11.972 -0.754 -15.378 496 HD2 LYS 64 1HD LYS 64 13.954 -1.097 -16.716 497 HD3 LYS 64 2HD LYS 64 13.716 0.619 -16.416 498 HE2 LYS 64 1HE LYS 64 16.057 0.163 -16.237 499 HE3 LYS 64 2HE LYS 64 15.460 0.545 -14.623 500 HZ1 LYS 64 3HZ LYS 64 15.439 -1.857 -14.147 501 HZ2 LYS 64 1HZ LYS 64 16.929 -1.400 -14.624 502 HZ3 LYS 64 2HZ LYS 64 15.958 -2.203 -15.659 503 H GLN 65 H GLN 65 10.118 2.119 -13.219 504 HA GLN 65 HA GLN 65 7.758 0.408 -13.791 505 HB2 GLN 65 1HB GLN 65 7.906 3.425 -13.445 506 HB3 GLN 65 2HB GLN 65 6.454 2.424 -13.521 507 HG2 GLN 65 1HG GLN 65 8.528 2.445 -11.290 508 HG3 GLN 65 2HG GLN 65 6.888 3.073 -11.236 509 HE21 GLN 65 1HE2 GLN 65 5.057 1.407 -11.524 510 HE22 GLN 65 2HE2 GLN 65 5.380 -0.198 -10.893 511 H HIS 66 H HIS 66 6.335 1.073 -15.689 512 HA HIS 66 HA HIS 66 7.683 2.677 -17.740 513 HB2 HIS 66 1HB HIS 66 7.435 1.152 -19.540 514 HB3 HIS 66 2HB HIS 66 8.362 0.358 -18.277 515 HD1 HIS 66 1HD HIS 66 7.111 -1.745 -17.042 516 HD2 HIS 66 2HD HIS 66 5.040 0.135 -20.187 517 HE1 HIS 66 1HE HIS 66 5.184 -3.298 -17.659 518 H CYS 67 H CYS 67 6.423 3.671 -19.205 519 HA CYS 67 HA CYS 67 3.572 4.060 -18.626 520 HB2 CYS 67 1HB CYS 67 5.115 5.901 -19.216 521 HB3 CYS 67 2HB CYS 67 5.473 5.108 -20.759 522 H ARG 68 H ARG 68 1.983 2.873 -19.531 523 HA ARG 68 HA ARG 68 2.609 0.884 -21.593 524 HB2 ARG 68 1HB ARG 68 0.446 0.034 -21.370 525 HB3 ARG 68 2HB ARG 68 1.055 0.352 -19.766 526 HG2 ARG 68 1HG ARG 68 -0.988 2.027 -21.307 527 HG3 ARG 68 2HG ARG 68 -1.334 0.883 -20.019 528 HD2 ARG 68 1HD ARG 68 0.102 3.543 -19.746 529 HD3 ARG 68 2HD ARG 68 -1.508 3.111 -19.178 530 HE ARG 68 HE ARG 68 0.695 1.469 -18.093 531 HH11 ARG 68 2HH1 ARG 68 -1.509 4.101 -17.434 532 HH12 ARG 68 1HH1 ARG 68 -1.202 4.043 -15.718 533 HH21 ARG 68 2HH2 ARG 68 1.113 1.510 -15.920 534 HH22 ARG 68 1HH2 ARG 68 0.247 2.612 -14.894 535 H PHE 69 H PHE 69 1.626 4.153 -21.740 536 HA PHE 69 HA PHE 69 0.183 3.902 -24.279 537 HB2 PHE 69 1HB PHE 69 1.077 6.362 -22.768 538 HB3 PHE 69 2HB PHE 69 -0.086 6.313 -24.076 539 HD1 PHE 69 2HD PHE 69 -2.168 4.634 -23.630 540 HD2 PHE 69 1HD PHE 69 0.260 6.473 -20.576 541 HE1 PHE 69 2HE PHE 69 -4.026 4.391 -21.998 542 HE2 PHE 69 1HE PHE 69 -1.613 6.272 -18.964 543 HZ PHE 69 HZ PHE 69 -3.758 5.223 -19.668 544 H CYS 70 H CYS 70 3.422 4.984 -23.274 545 HA CYS 70 HA CYS 70 4.237 5.126 -26.139 546 HB2 CYS 70 1HB CYS 70 5.587 7.053 -25.727 547 HB3 CYS 70 2HB CYS 70 3.897 7.372 -25.349 548 H LYS 71 H LYS 71 4.712 3.319 -23.499 549 HA LYS 71 HA LYS 71 6.221 1.792 -22.814 550 HB2 LYS 71 1HB LYS 71 7.405 1.944 -25.592 551 HB3 LYS 71 2HB LYS 71 7.524 0.611 -24.451 552 HG2 LYS 71 1HG LYS 71 5.004 1.559 -25.871 553 HG3 LYS 71 2HG LYS 71 5.920 0.083 -26.175 554 HD2 LYS 71 1HD LYS 71 5.392 -0.670 -23.824 555 HD3 LYS 71 2HD LYS 71 4.312 0.719 -23.653 556 HE2 LYS 71 1HE LYS 71 4.067 -1.445 -25.793 557 HE3 LYS 71 2HE LYS 71 3.180 -1.442 -24.267 558 HZ1 LYS 71 3HZ LYS 71 1.845 -0.510 -26.057 559 HZ2 LYS 71 1HZ LYS 71 2.937 0.662 -26.352 560 HZ3 LYS 71 2HZ LYS 71 2.113 0.637 -24.930 561 H LYS 72 H LYS 72 7.006 4.720 -22.646 562 HA LYS 72 HA LYS 72 9.884 4.790 -22.394 563 HB2 LYS 72 1HB LYS 72 8.286 6.769 -22.724 564 HB3 LYS 72 2HB LYS 72 7.793 6.565 -21.061 565 HG2 LYS 72 1HG LYS 72 10.063 7.014 -20.264 566 HG3 LYS 72 2HG LYS 72 10.692 7.026 -21.923 567 HD2 LYS 72 1HD LYS 72 9.477 9.062 -22.446 568 HD3 LYS 72 2HD LYS 72 8.596 8.992 -20.915 569 HE2 LYS 72 1HE LYS 72 10.866 9.093 -19.728 570 HE3 LYS 72 2HE LYS 72 11.596 9.417 -21.305 571 HZ1 LYS 72 3HZ LYS 72 9.586 11.104 -19.907 572 HZ2 LYS 72 1HZ LYS 72 10.131 11.411 -21.429 573 HZ3 LYS 72 2HZ LYS 72 11.152 11.482 -20.158 574 H LYS 73 H LYS 73 11.179 4.533 -20.578 575 HA LYS 73 HA LYS 73 9.966 3.084 -18.267 576 HB2 LYS 73 1HB LYS 73 12.779 3.161 -19.384 577 HB3 LYS 73 2HB LYS 73 12.462 2.664 -17.725 578 HG2 LYS 73 1HG LYS 73 12.579 0.696 -19.071 579 HG3 LYS 73 2HG LYS 73 10.925 0.894 -18.492 580 HD2 LYS 73 1HD LYS 73 10.246 1.777 -20.695 581 HD3 LYS 73 2HD LYS 73 11.921 1.647 -21.279 582 HE2 LYS 73 1HE LYS 73 11.760 -0.835 -20.892 583 HE3 LYS 73 2HE LYS 73 10.081 -0.605 -20.373 584 HZ1 LYS 73 3HZ LYS 73 10.063 -1.167 -22.698 585 HZ2 LYS 73 1HZ LYS 73 11.187 -0.044 -23.073 586 HZ3 LYS 73 2HZ LYS 73 9.698 0.438 -22.620 587 H TYR 74 H TYR 74 10.311 3.582 -16.200 588 HA TYR 74 HA TYR 74 11.138 6.385 -15.560 589 HB2 TYR 74 1HB TYR 74 8.452 5.053 -15.218 590 HB3 TYR 74 2HB TYR 74 8.985 6.236 -14.033 591 HD1 TYR 74 1HD TYR 74 8.054 5.786 -17.622 592 HD2 TYR 74 2HD TYR 74 9.271 8.555 -14.542 593 HE1 TYR 74 1HE TYR 74 7.640 7.687 -19.172 594 HE2 TYR 74 2HE TYR 74 8.891 10.460 -16.114 595 HH TYR 74 HH TYR 74 7.598 9.986 -19.385 596 H SER 75 H SER 75 12.318 6.652 -13.833 597 HA SER 75 HA SER 75 13.137 4.392 -12.185 598 HB2 SER 75 1HB SER 75 14.700 6.082 -11.223 599 HB3 SER 75 2HB SER 75 14.799 5.934 -12.986 600 HG SER 75 HG SER 75 14.740 8.134 -12.286 601 H ASP 76 H ASP 76 10.706 6.793 -11.864 602 HA ASP 76 HA ASP 76 10.148 5.861 -9.107 603 HB2 ASP 76 1HB ASP 76 11.284 8.225 -9.199 604 HB3 ASP 76 2HB ASP 76 9.746 8.779 -9.832 605 H VAL 77 H VAL 77 8.020 5.359 -8.825 606 HA VAL 77 HA VAL 77 6.175 5.365 -11.039 607 HB VAL 77 HB VAL 77 6.136 3.775 -9.104 608 HG11 VAL 77 1HG1 VAL 77 6.379 5.410 -7.232 609 HG12 VAL 77 2HG1 VAL 77 4.723 5.977 -7.553 610 HG13 VAL 77 3HG1 VAL 77 5.010 4.306 -7.046 611 HG21 VAL 77 3HG2 VAL 77 3.507 5.217 -9.617 612 HG22 VAL 77 1HG2 VAL 77 4.243 4.002 -10.683 613 HG23 VAL 77 2HG2 VAL 77 3.715 3.547 -9.053 614 H LYS 78 H LYS 78 6.750 7.695 -8.388 615 HA LYS 78 HA LYS 78 4.364 9.264 -8.808 616 HB2 LYS 78 1HB LYS 78 7.097 10.077 -7.726 617 HB3 LYS 78 2HB LYS 78 5.633 11.064 -7.637 618 HG2 LYS 78 1HG LYS 78 4.502 9.330 -6.297 619 HG3 LYS 78 2HG LYS 78 5.947 8.305 -6.366 620 HD2 LYS 78 1HD LYS 78 7.263 10.104 -5.252 621 HD3 LYS 78 2HD LYS 78 5.796 11.075 -5.088 622 HE2 LYS 78 1HE LYS 78 6.208 8.283 -3.913 623 HE3 LYS 78 2HE LYS 78 6.468 9.787 -3.027 624 HZ1 LYS 78 3HZ LYS 78 3.860 8.912 -4.148 625 HZ2 LYS 78 1HZ LYS 78 4.113 10.325 -3.360 626 HZ3 LYS 78 2HZ LYS 78 4.272 8.908 -2.571 627 H ASN 79 H ASN 79 7.559 9.385 -10.387 628 HA ASN 79 HA ASN 79 6.827 11.703 -11.992 629 HB2 ASN 79 1HB ASN 79 9.108 9.680 -12.140 630 HB3 ASN 79 2HB ASN 79 8.913 10.968 -13.324 631 HD21 ASN 79 1HD2 ASN 79 11.145 10.563 -11.427 632 HD22 ASN 79 2HD2 ASN 79 11.200 12.065 -10.518 633 H LEU 80 H LEU 80 6.479 8.197 -12.460 634 HA LEU 80 HA LEU 80 5.644 8.335 -15.192 635 HB2 LEU 80 1HB LEU 80 6.219 6.224 -14.013 636 HB3 LEU 80 2HB LEU 80 4.795 6.430 -12.982 637 HG LEU 80 HG LEU 80 3.293 6.205 -14.893 638 HD11 LEU 80 1HD1 LEU 80 4.122 5.442 -17.051 639 HD12 LEU 80 2HD1 LEU 80 5.806 5.603 -16.497 640 HD13 LEU 80 3HD1 LEU 80 4.774 7.038 -16.705 641 HD21 LEU 80 3HD2 LEU 80 3.999 4.209 -13.594 642 HD22 LEU 80 1HD2 LEU 80 5.321 3.949 -14.760 643 HD23 LEU 80 2HD2 LEU 80 3.629 3.828 -15.285 644 H ILE 81 H ILE 81 3.742 8.653 -12.122 645 HA ILE 81 HA ILE 81 1.210 8.995 -13.369 646 HB ILE 81 HB ILE 81 2.038 10.432 -10.832 647 HG12 ILE 81 1HG1 ILE 81 2.733 8.302 -10.349 648 HG13 ILE 81 2HG1 ILE 81 1.203 8.477 -9.582 649 HG21 ILE 81 1HG2 ILE 81 -0.361 10.111 -10.260 650 HG22 ILE 81 2HG2 ILE 81 -0.134 11.088 -11.714 651 HG23 ILE 81 3HG2 ILE 81 -0.629 9.388 -11.863 652 HD11 ILE 81 3HD1 ILE 81 0.102 7.167 -11.411 653 HD12 ILE 81 1HD1 ILE 81 1.705 6.894 -12.133 654 HD13 ILE 81 2HD1 ILE 81 1.336 6.249 -10.525 655 H LYS 82 H LYS 82 3.602 11.466 -12.376 656 HA LYS 82 HA LYS 82 2.215 13.753 -13.307 657 HB2 LYS 82 1HB LYS 82 4.148 13.760 -11.785 658 HB3 LYS 82 2HB LYS 82 5.197 13.165 -13.076 659 HG2 LYS 82 1HG LYS 82 4.979 15.261 -14.304 660 HG3 LYS 82 2HG LYS 82 3.736 15.836 -13.180 661 HD2 LYS 82 1HD LYS 82 5.911 16.889 -12.719 662 HD3 LYS 82 2HD LYS 82 5.353 15.919 -11.350 663 HE2 LYS 82 1HE LYS 82 6.848 14.055 -12.080 664 HE3 LYS 82 2HE LYS 82 7.422 15.049 -13.426 665 HZ1 LYS 82 3HZ LYS 82 7.723 15.760 -10.554 666 HZ2 LYS 82 1HZ LYS 82 8.349 16.597 -11.815 667 HZ3 LYS 82 2HZ LYS 82 8.892 15.090 -11.463 668 H HIS 83 H HIS 83 4.497 11.649 -15.099 669 HA HIS 83 HA HIS 83 4.343 12.990 -17.633 670 HB2 HIS 83 1HB HIS 83 6.072 11.405 -17.242 671 HB3 HIS 83 2HB HIS 83 4.948 10.151 -16.742 672 HD1 HIS 83 1HD HIS 83 5.933 11.981 -20.006 673 HD2 HIS 83 2HD HIS 83 4.034 8.522 -18.548 674 HE1 HIS 83 1HE HIS 83 5.578 10.493 -22.029 675 H ILE 84 H ILE 84 2.295 10.292 -16.358 676 HA ILE 84 HA ILE 84 0.650 10.148 -18.705 677 HB ILE 84 HB ILE 84 0.246 9.358 -15.821 678 HG12 ILE 84 1HG1 ILE 84 0.526 7.569 -18.266 679 HG13 ILE 84 2HG1 ILE 84 1.928 8.169 -17.388 680 HG21 ILE 84 1HG2 ILE 84 -1.761 8.051 -16.553 681 HG22 ILE 84 2HG2 ILE 84 -2.014 9.780 -16.695 682 HG23 ILE 84 3HG2 ILE 84 -1.656 8.819 -18.148 683 HD11 ILE 84 3HD1 ILE 84 1.406 5.973 -16.560 684 HD12 ILE 84 1HD1 ILE 84 1.063 7.170 -15.288 685 HD13 ILE 84 2HD1 ILE 84 -0.269 6.438 -16.207 686 H ARG 85 H ARG 85 0.254 12.064 -15.717 687 HA ARG 85 HA ARG 85 -2.177 13.398 -16.457 688 HB2 ARG 85 1HB ARG 85 0.121 14.200 -14.619 689 HB3 ARG 85 2HB ARG 85 -1.361 15.145 -14.789 690 HG2 ARG 85 1HG ARG 85 -2.717 13.221 -14.077 691 HG3 ARG 85 2HG ARG 85 -1.275 12.225 -13.920 692 HD2 ARG 85 1HD ARG 85 -1.893 12.965 -11.729 693 HD3 ARG 85 2HD ARG 85 -0.383 13.770 -12.194 694 HE ARG 85 HE ARG 85 -2.677 15.398 -12.866 695 HH11 ARG 85 2HH1 ARG 85 -0.814 14.470 -10.046 696 HH12 ARG 85 1HH1 ARG 85 -1.228 15.927 -9.183 697 HH21 ARG 85 2HH2 ARG 85 -3.158 17.234 -11.712 698 HH22 ARG 85 1HH2 ARG 85 -2.526 17.442 -10.105 699 H ASP 86 H ASP 86 1.055 14.034 -17.559 700 HA ASP 86 HA ASP 86 0.289 16.671 -18.717 701 HB2 ASP 86 1HB ASP 86 2.940 15.221 -18.434 702 HB3 ASP 86 2HB ASP 86 2.743 16.691 -19.378 703 H ALA 87 H ALA 87 1.507 13.505 -19.881 704 HA ALA 87 HA ALA 87 1.264 14.400 -22.688 705 HB1 ALA 87 1HB ALA 87 3.371 13.415 -21.844 706 HB2 ALA 87 2HB ALA 87 2.512 11.911 -21.447 707 HB3 ALA 87 3HB ALA 87 2.655 12.433 -23.137 708 H HIS 88 H HIS 88 -0.361 12.173 -20.481 709 HA HIS 88 HA HIS 88 -2.029 11.089 -22.709 710 HB2 HIS 88 1HB HIS 88 -0.993 9.570 -20.303 711 HB3 HIS 88 2HB HIS 88 -1.857 8.930 -21.688 712 HD1 HIS 88 1HD HIS 88 -0.213 9.655 -24.143 713 HD2 HIS 88 2HD HIS 88 1.444 8.884 -20.362 714 HE1 HIS 88 1HE HIS 88 2.196 8.960 -24.576 715 H ASP 89 H ASP 89 -2.687 13.293 -20.876 716 HA ASP 89 HA ASP 89 -3.995 12.686 -18.613 717 HB2 ASP 89 1HB ASP 89 -5.091 14.794 -18.693 718 HB3 ASP 89 2HB ASP 89 -3.484 14.948 -19.387 719 HA PRO 90 HA PRO 90 -7.626 10.388 -19.768 720 HB2 PRO 90 1HB PRO 90 -8.908 10.177 -17.366 721 HB3 PRO 90 2HB PRO 90 -7.385 9.312 -17.745 722 HG2 PRO 90 1HG PRO 90 -7.725 11.914 -16.224 723 HG3 PRO 90 2HG PRO 90 -6.720 10.498 -15.786 724 HD2 PRO 90 1HD PRO 90 -5.690 12.707 -17.032 725 HD3 PRO 90 2HD PRO 90 -5.066 11.065 -17.368 726 H GLN 91 H GLN 91 -9.599 10.816 -20.573 727 HA GLN 91 HA GLN 91 -11.209 13.117 -19.602 728 HB2 GLN 91 1HB GLN 91 -10.482 12.656 -22.526 729 HB3 GLN 91 2HB GLN 91 -11.647 13.838 -21.910 730 HG2 GLN 91 1HG GLN 91 -9.797 14.960 -20.640 731 HG3 GLN 91 2HG GLN 91 -8.651 13.809 -21.331 732 HE21 GLN 91 1HE2 GLN 91 -7.554 15.825 -22.046 733 HE22 GLN 91 2HE2 GLN 91 -8.105 16.548 -23.568 734 H ASP 92 H ASP 92 -13.211 12.489 -19.249 735 HA ASP 92 HA ASP 92 -14.229 9.877 -20.069 736 HB2 ASP 92 1HB ASP 92 -14.599 10.767 -17.818 737 HB3 ASP 92 2HB ASP 92 -15.499 12.130 -18.477 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -23.888 -19.905 -11.347 2 H2 GLY 1 2H GLY 1 -24.196 -20.907 -10.087 3 H3 GLY 1 3H GLY 1 -24.641 -19.335 -10.008 4 HA2 GLY 1 1HA GLY 1 -26.240 -19.623 -11.778 5 HA3 GLY 1 2HA GLY 1 -25.746 -21.323 -11.889 6 H SER 2 H SER 2 -28.406 -20.256 -11.333 7 HA SER 2 HA SER 2 -29.079 -20.173 -8.611 8 HB2 SER 2 1HB SER 2 -30.869 -20.968 -10.936 9 HB3 SER 2 2HB SER 2 -31.386 -20.307 -9.372 10 HG SER 2 HG SER 2 -31.276 -18.688 -11.000 11 H SER 3 H SER 3 -28.343 -23.038 -10.374 12 HA SER 3 HA SER 3 -29.879 -24.923 -8.774 13 HB2 SER 3 1HB SER 3 -28.388 -26.584 -9.893 14 HB3 SER 3 2HB SER 3 -29.250 -25.516 -11.014 15 HG SER 3 HG SER 3 -27.013 -25.747 -11.545 16 H GLY 4 H GLY 4 -27.044 -23.089 -8.135 17 HA2 GLY 4 1HA GLY 4 -26.299 -24.839 -5.810 18 HA3 GLY 4 2HA GLY 4 -25.114 -23.989 -6.794 19 H SER 5 H SER 5 -24.584 -23.306 -4.548 20 HA SER 5 HA SER 5 -24.344 -21.779 -2.912 21 HB2 SER 5 1HB SER 5 -25.757 -19.876 -4.804 22 HB3 SER 5 2HB SER 5 -24.797 -19.423 -3.390 23 HG SER 5 HG SER 5 -23.578 -19.346 -5.340 24 H SER 6 H SER 6 -25.460 -20.057 -1.465 25 HA SER 6 HA SER 6 -28.312 -20.557 -0.941 26 HB2 SER 6 1HB SER 6 -26.988 -22.348 0.286 27 HB3 SER 6 2HB SER 6 -26.259 -21.047 1.249 28 HG SER 6 HG SER 6 -28.155 -21.994 2.216 29 H GLY 7 H GLY 7 -29.127 -19.111 0.798 30 HA2 GLY 7 1HA GLY 7 -28.313 -16.376 0.351 31 HA3 GLY 7 2HA GLY 7 -29.541 -16.930 1.486 32 H LYS 8 H LYS 8 -27.395 -14.914 1.720 33 HA LYS 8 HA LYS 8 -25.656 -15.870 3.899 34 HB2 LYS 8 1HB LYS 8 -25.436 -13.660 1.855 35 HB3 LYS 8 2HB LYS 8 -24.243 -13.936 3.116 36 HG2 LYS 8 1HG LYS 8 -23.670 -16.121 2.217 37 HG3 LYS 8 2HG LYS 8 -24.989 -16.043 1.048 38 HD2 LYS 8 1HD LYS 8 -23.910 -14.092 -0.047 39 HD3 LYS 8 2HD LYS 8 -22.580 -14.174 1.128 40 HE2 LYS 8 1HE LYS 8 -22.053 -16.482 0.363 41 HE3 LYS 8 2HE LYS 8 -23.379 -16.400 -0.802 42 HZ1 LYS 8 3HZ LYS 8 -22.215 -14.556 -1.896 43 HZ2 LYS 8 1HZ LYS 8 -21.248 -15.869 -1.843 44 HZ3 LYS 8 2HZ LYS 8 -20.991 -14.628 -0.815 45 HA PRO 9 HA PRO 9 -28.511 -12.846 5.993 46 HB2 PRO 9 1HB PRO 9 -29.097 -14.331 8.226 47 HB3 PRO 9 2HB PRO 9 -29.894 -14.529 6.646 48 HG2 PRO 9 1HG PRO 9 -27.694 -16.200 7.750 49 HG3 PRO 9 2HG PRO 9 -29.216 -16.735 6.985 50 HD2 PRO 9 1HD PRO 9 -26.856 -16.512 5.586 51 HD3 PRO 9 2HD PRO 9 -28.441 -16.202 4.843 52 H TYR 10 H TYR 10 -25.716 -14.624 7.297 53 HA TYR 10 HA TYR 10 -25.514 -12.898 9.623 54 HB2 TYR 10 1HB TYR 10 -23.631 -15.007 8.538 55 HB3 TYR 10 2HB TYR 10 -23.476 -14.210 10.091 56 HD1 TYR 10 1HD TYR 10 -25.497 -16.596 8.101 57 HD2 TYR 10 2HD TYR 10 -24.959 -14.766 11.964 58 HE1 TYR 10 1HE TYR 10 -26.917 -18.345 9.108 59 HE2 TYR 10 2HE TYR 10 -26.435 -16.499 12.982 60 HH TYR 10 HH TYR 10 -27.695 -18.381 12.622 61 H LYS 11 H LYS 11 -24.967 -10.837 9.315 62 HA LYS 11 HA LYS 11 -23.082 -10.007 7.180 63 HB2 LYS 11 1HB LYS 11 -24.608 -8.193 9.066 64 HB3 LYS 11 2HB LYS 11 -23.890 -7.790 7.515 65 HG2 LYS 11 1HG LYS 11 -26.385 -9.444 8.027 66 HG3 LYS 11 2HG LYS 11 -26.281 -7.834 7.328 67 HD2 LYS 11 1HD LYS 11 -25.085 -8.768 5.350 68 HD3 LYS 11 2HD LYS 11 -25.266 -10.404 6.035 69 HE2 LYS 11 1HE LYS 11 -27.732 -10.110 6.071 70 HE3 LYS 11 2HE LYS 11 -27.554 -8.495 5.375 71 HZ1 LYS 11 3HZ LYS 11 -26.778 -11.044 4.051 72 HZ2 LYS 11 1HZ LYS 11 -26.548 -9.549 3.401 73 HZ3 LYS 11 2HZ LYS 11 -28.059 -10.110 3.654 74 H CYS 12 H CYS 12 -21.254 -8.719 7.477 75 HA CYS 12 HA CYS 12 -19.871 -8.911 10.028 76 HB2 CYS 12 1HB CYS 12 -18.737 -9.225 7.940 77 HB3 CYS 12 2HB CYS 12 -19.191 -7.602 7.393 78 HA PRO 13 HA PRO 13 -21.490 -4.847 11.290 79 HB2 PRO 13 1HB PRO 13 -20.243 -4.648 13.712 80 HB3 PRO 13 2HB PRO 13 -21.604 -5.769 13.406 81 HG2 PRO 13 1HG PRO 13 -18.654 -6.374 13.521 82 HG3 PRO 13 2HG PRO 13 -20.016 -7.323 14.176 83 HD2 PRO 13 1HD PRO 13 -18.763 -7.791 11.700 84 HD3 PRO 13 2HD PRO 13 -20.410 -8.332 12.124 85 H GLN 14 H GLN 14 -18.359 -5.674 10.288 86 HA GLN 14 HA GLN 14 -17.229 -2.950 10.771 87 HB2 GLN 14 1HB GLN 14 -15.678 -5.502 10.265 88 HB3 GLN 14 2HB GLN 14 -15.093 -3.955 10.873 89 HG2 GLN 14 1HG GLN 14 -16.733 -4.333 12.849 90 HG3 GLN 14 2HG GLN 14 -16.861 -5.996 12.265 91 HE21 GLN 14 1HE2 GLN 14 -14.392 -3.604 13.416 92 HE22 GLN 14 2HE2 GLN 14 -13.362 -4.860 14.088 93 H CYS 15 H CYS 15 -17.893 -5.324 8.219 94 HA CYS 15 HA CYS 15 -17.380 -3.180 6.244 95 HB2 CYS 15 1HB CYS 15 -15.949 -4.477 4.837 96 HB3 CYS 15 2HB CYS 15 -15.242 -4.421 6.447 97 H SER 16 H SER 16 -17.835 -4.323 3.916 98 HA SER 16 HA SER 16 -20.686 -4.698 3.887 99 HB2 SER 16 1HB SER 16 -18.689 -4.994 1.616 100 HB3 SER 16 2HB SER 16 -20.440 -4.754 1.463 101 HG SER 16 HG SER 16 -19.276 -2.789 1.224 102 H TYR 17 H TYR 17 -18.458 -7.027 4.636 103 HA TYR 17 HA TYR 17 -19.121 -9.251 3.011 104 HB2 TYR 17 1HB TYR 17 -17.132 -9.112 4.374 105 HB3 TYR 17 2HB TYR 17 -18.075 -9.027 5.844 106 HD1 TYR 17 1HD TYR 17 -16.963 -11.208 3.046 107 HD2 TYR 17 2HD TYR 17 -18.938 -11.105 6.884 108 HE1 TYR 17 1HE TYR 17 -16.644 -13.669 3.289 109 HE2 TYR 17 2HE TYR 17 -18.585 -13.558 7.131 110 HH TYR 17 HH TYR 17 -17.507 -15.395 6.291 111 H ALA 18 H ALA 18 -20.419 -10.992 3.235 112 HA ALA 18 HA ALA 18 -22.271 -11.283 5.482 113 HB1 ALA 18 1HB ALA 18 -24.230 -11.523 4.024 114 HB2 ALA 18 2HB ALA 18 -23.530 -9.901 3.837 115 HB3 ALA 18 3HB ALA 18 -23.250 -11.139 2.593 116 H SER 19 H SER 19 -22.918 -13.441 5.810 117 HA SER 19 HA SER 19 -21.831 -15.536 4.005 118 HB2 SER 19 1HB SER 19 -20.836 -16.591 6.002 119 HB3 SER 19 2HB SER 19 -20.122 -15.027 5.627 120 HG SER 19 HG SER 19 -21.576 -14.156 7.257 121 H ALA 20 H ALA 20 -23.090 -17.310 3.790 122 HA ALA 20 HA ALA 20 -25.562 -17.773 4.959 123 HB1 ALA 20 1HB ALA 20 -24.748 -18.686 2.843 124 HB2 ALA 20 2HB ALA 20 -23.646 -19.768 3.737 125 HB3 ALA 20 3HB ALA 20 -25.411 -19.933 3.907 126 H ILE 21 H ILE 21 -22.616 -18.245 6.626 127 HA ILE 21 HA ILE 21 -23.837 -20.160 8.580 128 HB ILE 21 HB ILE 21 -21.097 -20.334 7.257 129 HG12 ILE 21 1HG1 ILE 21 -23.521 -22.184 7.039 130 HG13 ILE 21 2HG1 ILE 21 -22.886 -21.144 5.764 131 HG21 ILE 21 1HG2 ILE 21 -20.975 -21.012 9.611 132 HG22 ILE 21 2HG2 ILE 21 -22.310 -22.165 9.372 133 HG23 ILE 21 3HG2 ILE 21 -20.735 -22.379 8.565 134 HD11 ILE 21 3HD1 ILE 21 -22.188 -23.342 5.253 135 HD12 ILE 21 1HD1 ILE 21 -20.747 -22.455 5.792 136 HD13 ILE 21 2HD1 ILE 21 -21.551 -23.621 6.877 137 H LYS 22 H LYS 22 -23.539 -19.497 10.696 138 HA LYS 22 HA LYS 22 -22.236 -17.038 11.292 139 HB2 LYS 22 1HB LYS 22 -24.042 -18.043 12.657 140 HB3 LYS 22 2HB LYS 22 -22.871 -19.201 13.320 141 HG2 LYS 22 1HG LYS 22 -21.497 -17.386 14.201 142 HG3 LYS 22 2HG LYS 22 -22.468 -16.163 13.359 143 HD2 LYS 22 1HD LYS 22 -24.410 -16.778 14.739 144 HD3 LYS 22 2HD LYS 22 -23.414 -17.936 15.640 145 HE2 LYS 22 1HE LYS 22 -22.949 -14.916 15.431 146 HE3 LYS 22 2HE LYS 22 -23.670 -15.739 16.814 147 HZ1 LYS 22 3HZ LYS 22 -21.557 -16.922 17.130 148 HZ2 LYS 22 1HZ LYS 22 -21.331 -15.312 17.203 149 HZ3 LYS 22 2HZ LYS 22 -20.864 -16.125 15.872 150 H ALA 23 H ALA 23 -20.913 -20.358 11.534 151 HA ALA 23 HA ALA 23 -18.427 -19.691 12.721 152 HB1 ALA 23 1HB ALA 23 -19.260 -21.998 12.369 153 HB2 ALA 23 2HB ALA 23 -18.990 -21.824 10.618 154 HB3 ALA 23 3HB ALA 23 -17.618 -21.772 11.739 155 H ASN 24 H ASN 24 -19.472 -19.305 9.329 156 HA ASN 24 HA ASN 24 -16.828 -18.478 8.401 157 HB2 ASN 24 1HB ASN 24 -19.604 -18.394 7.135 158 HB3 ASN 24 2HB ASN 24 -18.155 -17.824 6.345 159 HD21 ASN 24 1HD2 ASN 24 -19.231 -19.585 4.843 160 HD22 ASN 24 2HD2 ASN 24 -18.506 -21.174 5.026 161 H LEU 25 H LEU 25 -19.588 -16.799 9.828 162 HA LEU 25 HA LEU 25 -18.426 -14.160 9.322 163 HB2 LEU 25 1HB LEU 25 -20.812 -14.336 9.681 164 HB3 LEU 25 2HB LEU 25 -20.572 -15.074 11.263 165 HG LEU 25 HG LEU 25 -19.548 -12.995 12.117 166 HD11 LEU 25 1HD1 LEU 25 -18.581 -12.042 10.051 167 HD12 LEU 25 2HD1 LEU 25 -19.689 -10.911 10.815 168 HD13 LEU 25 3HD1 LEU 25 -20.212 -11.820 9.379 169 HD21 LEU 25 3HD2 LEU 25 -22.004 -13.365 12.267 170 HD22 LEU 25 1HD2 LEU 25 -22.202 -12.437 10.759 171 HD23 LEU 25 2HD2 LEU 25 -21.551 -11.652 12.206 172 H ASN 26 H ASN 26 -18.458 -16.376 12.168 173 HA ASN 26 HA ASN 26 -16.916 -14.861 13.959 174 HB2 ASN 26 1HB ASN 26 -16.711 -17.866 13.453 175 HB3 ASN 26 2HB ASN 26 -16.167 -17.038 14.898 176 HD21 ASN 26 1HD2 ASN 26 -17.765 -19.220 14.874 177 HD22 ASN 26 2HD2 ASN 26 -19.320 -18.788 15.586 178 H VAL 27 H VAL 27 -15.749 -17.094 11.404 179 HA VAL 27 HA VAL 27 -12.983 -16.731 11.982 180 HB VAL 27 HB VAL 27 -14.332 -18.544 10.598 181 HG11 VAL 27 1HG1 VAL 27 -13.927 -18.594 8.265 182 HG12 VAL 27 2HG1 VAL 27 -14.878 -17.163 8.659 183 HG13 VAL 27 3HG1 VAL 27 -13.141 -17.001 8.294 184 HG21 VAL 27 3HG2 VAL 27 -11.465 -17.717 10.113 185 HG22 VAL 27 1HG2 VAL 27 -12.078 -18.744 11.441 186 HG23 VAL 27 2HG2 VAL 27 -12.140 -19.337 9.771 187 H HIS 28 H HIS 28 -15.134 -15.101 9.787 188 HA HIS 28 HA HIS 28 -13.232 -13.636 8.295 189 HB2 HIS 28 1HB HIS 28 -15.451 -13.996 7.514 190 HB3 HIS 28 2HB HIS 28 -16.178 -13.229 8.918 191 HD1 HIS 28 1HD HIS 28 -14.478 -12.177 5.663 192 HD2 HIS 28 2HD HIS 28 -16.329 -10.596 9.085 193 HE1 HIS 28 1HE HIS 28 -14.644 -9.668 5.272 194 H LEU 29 H LEU 29 -14.935 -12.762 11.322 195 HA LEU 29 HA LEU 29 -14.102 -10.055 11.501 196 HB2 LEU 29 1HB LEU 29 -14.622 -12.085 13.706 197 HB3 LEU 29 2HB LEU 29 -14.514 -10.347 13.969 198 HG LEU 29 HG LEU 29 -16.601 -11.570 12.130 199 HD11 LEU 29 1HD1 LEU 29 -16.868 -12.497 14.406 200 HD12 LEU 29 2HD1 LEU 29 -18.181 -11.384 13.997 201 HD13 LEU 29 3HD1 LEU 29 -16.869 -10.850 15.075 202 HD21 LEU 29 3HD2 LEU 29 -17.814 -9.503 12.565 203 HD22 LEU 29 1HD2 LEU 29 -16.258 -9.167 11.797 204 HD23 LEU 29 2HD2 LEU 29 -16.467 -8.883 13.540 205 H ARG 30 H ARG 30 -12.215 -12.918 12.028 206 HA ARG 30 HA ARG 30 -10.248 -11.989 13.841 207 HB2 ARG 30 1HB ARG 30 -9.980 -14.024 11.582 208 HB3 ARG 30 2HB ARG 30 -8.854 -13.837 12.920 209 HG2 ARG 30 1HG ARG 30 -10.642 -14.388 14.546 210 HG3 ARG 30 2HG ARG 30 -11.790 -14.597 13.210 211 HD2 ARG 30 1HD ARG 30 -10.387 -16.410 12.277 212 HD3 ARG 30 2HD ARG 30 -9.255 -16.221 13.634 213 HE ARG 30 HE ARG 30 -11.873 -16.621 14.687 214 HH11 ARG 30 2HH1 ARG 30 -9.420 -18.506 13.040 215 HH12 ARG 30 1HH1 ARG 30 -9.962 -20.000 13.750 216 HH21 ARG 30 2HH2 ARG 30 -12.504 -18.564 15.568 217 HH22 ARG 30 1HH2 ARG 30 -11.667 -20.026 15.138 218 H LYS 31 H LYS 31 -10.564 -11.242 10.461 219 HA LYS 31 HA LYS 31 -7.825 -10.223 10.162 220 HB2 LYS 31 1HB LYS 31 -8.335 -9.813 7.960 221 HB3 LYS 31 2HB LYS 31 -9.314 -11.222 8.363 222 HG2 LYS 31 1HG LYS 31 -11.302 -9.634 8.629 223 HG3 LYS 31 2HG LYS 31 -10.254 -8.331 8.079 224 HD2 LYS 31 1HD LYS 31 -11.540 -9.073 6.199 225 HD3 LYS 31 2HD LYS 31 -9.849 -9.532 5.947 226 HE2 LYS 31 1HE LYS 31 -10.451 -11.856 6.813 227 HE3 LYS 31 2HE LYS 31 -12.140 -11.343 6.851 228 HZ1 LYS 31 3HZ LYS 31 -10.399 -11.434 4.431 229 HZ2 LYS 31 1HZ LYS 31 -11.949 -10.934 4.418 230 HZ3 LYS 31 2HZ LYS 31 -11.585 -12.493 4.766 231 H HIS 32 H HIS 32 -10.777 -8.870 11.293 232 HA HIS 32 HA HIS 32 -10.008 -6.079 10.788 233 HB2 HIS 32 1HB HIS 32 -12.396 -7.305 12.197 234 HB3 HIS 32 2HB HIS 32 -12.199 -5.594 11.824 235 HD1 HIS 32 1HD HIS 32 -11.440 -5.579 8.821 236 HD2 HIS 32 2HD HIS 32 -14.333 -8.025 10.636 237 HE1 HIS 32 1HE HIS 32 -13.084 -6.171 6.987 238 H THR 33 H THR 33 -9.251 -8.234 13.331 239 HA THR 33 HA THR 33 -9.311 -6.355 15.551 240 HB THR 33 HB THR 33 -7.916 -8.014 16.711 241 HG1 THR 33 1HG THR 33 -7.343 -9.907 15.607 242 HG21 THR 33 3HG2 THR 33 -9.449 -9.888 16.681 243 HG22 THR 33 1HG2 THR 33 -10.090 -9.402 15.094 244 HG23 THR 33 2HG2 THR 33 -10.381 -8.383 16.526 245 H GLY 34 H GLY 34 -6.908 -7.311 13.175 246 HA2 GLY 34 1HA GLY 34 -4.776 -5.626 14.325 247 HA3 GLY 34 2HA GLY 34 -4.666 -6.769 12.992 248 H GLU 35 H GLU 35 -3.511 -5.170 11.768 249 HA GLU 35 HA GLU 35 -5.238 -3.124 10.432 250 HB2 GLU 35 1HB GLU 35 -2.421 -2.782 11.517 251 HB3 GLU 35 2HB GLU 35 -3.061 -1.767 10.214 252 HG2 GLU 35 1HG GLU 35 -4.903 -1.016 11.627 253 HG3 GLU 35 2HG GLU 35 -4.375 -2.068 12.939 254 H LYS 36 H LYS 36 -5.007 -2.746 8.389 255 HA LYS 36 HA LYS 36 -3.689 -4.874 6.781 256 HB2 LYS 36 1HB LYS 36 -6.021 -3.015 6.366 257 HB3 LYS 36 2HB LYS 36 -5.166 -3.655 4.964 258 HG2 LYS 36 1HG LYS 36 -5.992 -5.599 7.138 259 HG3 LYS 36 2HG LYS 36 -7.221 -4.949 6.062 260 HD2 LYS 36 1HD LYS 36 -5.769 -5.644 4.090 261 HD3 LYS 36 2HD LYS 36 -4.669 -6.431 5.239 262 HE2 LYS 36 1HE LYS 36 -6.571 -7.907 5.954 263 HE3 LYS 36 2HE LYS 36 -7.604 -7.097 4.767 264 HZ1 LYS 36 3HZ LYS 36 -6.746 -9.066 3.738 265 HZ2 LYS 36 1HZ LYS 36 -5.205 -8.744 4.170 266 HZ3 LYS 36 2HZ LYS 36 -5.930 -7.826 3.040 267 H PHE 37 H PHE 37 -1.755 -4.492 6.352 268 HA PHE 37 HA PHE 37 -0.724 -1.831 5.560 269 HB2 PHE 37 1HB PHE 37 0.658 -4.484 6.124 270 HB3 PHE 37 2HB PHE 37 1.460 -2.948 5.821 271 HD1 PHE 37 2HD PHE 37 0.994 -0.958 7.360 272 HD2 PHE 37 1HD PHE 37 -0.100 -5.011 8.346 273 HE1 PHE 37 2HE PHE 37 0.755 -0.315 9.748 274 HE2 PHE 37 1HE PHE 37 -0.324 -4.368 10.734 275 HZ PHE 37 HZ PHE 37 0.098 -2.017 11.430 276 H ALA 38 H ALA 38 -1.057 -1.307 3.503 277 HA ALA 38 HA ALA 38 -1.280 -3.362 1.405 278 HB1 ALA 38 1HB ALA 38 -2.272 -1.564 0.088 279 HB2 ALA 38 2HB ALA 38 -3.046 -1.625 1.687 280 HB3 ALA 38 3HB ALA 38 -1.836 -0.372 1.323 281 H CYS 39 H CYS 39 -0.094 -3.480 -0.505 282 HA CYS 39 HA CYS 39 2.583 -2.408 -0.528 283 HB2 CYS 39 1HB CYS 39 1.870 -4.575 -1.332 284 HB3 CYS 39 2HB CYS 39 0.859 -3.825 -2.570 285 H ASP 40 H ASP 40 3.442 -0.803 -1.659 286 HA ASP 40 HA ASP 40 1.671 1.306 -2.732 287 HB2 ASP 40 1HB ASP 40 3.595 1.782 -1.172 288 HB3 ASP 40 2HB ASP 40 4.698 1.273 -2.449 289 H TYR 41 H TYR 41 3.020 -1.493 -3.929 290 HA TYR 41 HA TYR 41 3.587 -0.394 -6.661 291 HB2 TYR 41 1HB TYR 41 4.797 -2.793 -5.244 292 HB3 TYR 41 2HB TYR 41 5.147 -2.252 -6.865 293 HD1 TYR 41 1HD TYR 41 6.536 -0.190 -7.204 294 HD2 TYR 41 2HD TYR 41 5.536 -1.646 -3.275 295 HE1 TYR 41 1HE TYR 41 8.295 1.283 -6.210 296 HE2 TYR 41 2HE TYR 41 7.302 -0.177 -2.279 297 HH TYR 41 HH TYR 41 8.940 1.374 -2.688 298 H CYS 42 H CYS 42 1.833 -2.863 -4.867 299 HA CYS 42 HA CYS 42 0.217 -3.311 -7.298 300 HB2 CYS 42 1HB CYS 42 0.112 -5.726 -7.049 301 HB3 CYS 42 2HB CYS 42 1.754 -5.173 -7.391 302 H SER 43 H SER 43 -1.674 -4.996 -6.509 303 HA SER 43 HA SER 43 -3.254 -3.485 -4.581 304 HB2 SER 43 1HB SER 43 -5.039 -5.084 -5.232 305 HB3 SER 43 2HB SER 43 -4.294 -4.256 -6.605 306 HG SER 43 HG SER 43 -4.533 -6.522 -6.969 307 H PHE 44 H PHE 44 -0.874 -5.601 -3.919 308 HA PHE 44 HA PHE 44 -1.986 -7.577 -2.250 309 HB2 PHE 44 1HB PHE 44 0.224 -7.713 -3.068 310 HB3 PHE 44 2HB PHE 44 0.712 -6.230 -2.278 311 HD1 PHE 44 2HD PHE 44 0.005 -9.828 -1.804 312 HD2 PHE 44 1HD PHE 44 1.303 -6.181 0.103 313 HE1 PHE 44 2HE PHE 44 0.892 -11.137 0.113 314 HE2 PHE 44 1HE PHE 44 2.199 -7.493 2.003 315 HZ PHE 44 HZ PHE 44 1.998 -9.974 2.013 316 H THR 45 H THR 45 -2.213 -7.775 -0.061 317 HA THR 45 HA THR 45 -1.631 -5.567 1.755 318 HB THR 45 HB THR 45 -3.724 -5.760 2.958 319 HG1 THR 45 1HG THR 45 -4.704 -7.183 0.720 320 HG21 THR 45 3HG2 THR 45 -5.155 -4.477 1.448 321 HG22 THR 45 1HG2 THR 45 -4.117 -4.936 0.067 322 HG23 THR 45 2HG2 THR 45 -3.457 -3.963 1.402 323 H CYS 46 H CYS 46 -1.483 -6.144 3.913 324 HA CYS 46 HA CYS 46 -1.608 -9.021 4.635 325 HB2 CYS 46 1HB CYS 46 0.682 -8.483 3.663 326 HB3 CYS 46 2HB CYS 46 0.965 -7.452 5.080 327 HG CYS 46 HG CYS 46 2.115 -9.899 5.226 328 H LEU 47 H LEU 47 -1.454 -9.444 6.901 329 HA LEU 47 HA LEU 47 -2.662 -7.330 8.542 330 HB2 LEU 47 1HB LEU 47 -2.765 -10.245 8.392 331 HB3 LEU 47 2HB LEU 47 -2.368 -9.761 10.018 332 HG LEU 47 HG LEU 47 -4.766 -10.080 9.691 333 HD11 LEU 47 1HD1 LEU 47 -5.565 -8.062 10.757 334 HD12 LEU 47 2HD1 LEU 47 -4.146 -7.152 10.212 335 HD13 LEU 47 3HD1 LEU 47 -3.961 -8.469 11.390 336 HD21 LEU 47 3HD2 LEU 47 -4.707 -7.679 7.816 337 HD22 LEU 47 1HD2 LEU 47 -6.133 -8.572 8.370 338 HD23 LEU 47 2HD2 LEU 47 -4.944 -9.376 7.327 339 H SER 48 H SER 48 0.487 -8.114 7.948 340 HA SER 48 HA SER 48 1.400 -6.971 10.552 341 HB2 SER 48 1HB SER 48 2.635 -9.345 9.113 342 HB3 SER 48 2HB SER 48 3.387 -8.468 10.454 343 HG SER 48 HG SER 48 0.893 -9.851 10.535 344 H LYS 49 H LYS 49 2.821 -5.375 10.384 345 HA LYS 49 HA LYS 49 3.339 -4.157 7.855 346 HB2 LYS 49 1HB LYS 49 3.031 -3.157 10.230 347 HB3 LYS 49 2HB LYS 49 4.755 -3.466 10.458 348 HG2 LYS 49 1HG LYS 49 5.233 -2.038 8.457 349 HG3 LYS 49 2HG LYS 49 3.485 -1.785 8.250 350 HD2 LYS 49 1HD LYS 49 3.405 -0.810 10.574 351 HD3 LYS 49 2HD LYS 49 5.169 -0.895 10.639 352 HE2 LYS 49 1HE LYS 49 3.537 0.638 8.557 353 HE3 LYS 49 2HE LYS 49 4.214 1.353 10.020 354 HZ1 LYS 49 3HZ LYS 49 5.820 0.129 7.838 355 HZ2 LYS 49 1HZ LYS 49 6.440 0.764 9.213 356 HZ3 LYS 49 2HZ LYS 49 5.680 1.725 8.139 357 H GLY 50 H GLY 50 5.431 -6.125 9.935 358 HA2 GLY 50 1HA GLY 50 7.871 -5.830 8.442 359 HA3 GLY 50 2HA GLY 50 7.454 -7.169 9.519 360 H HIS 51 H HIS 51 5.057 -8.012 7.992 361 HA HIS 51 HA HIS 51 6.356 -9.576 5.898 362 HB2 HIS 51 1HB HIS 51 3.454 -9.286 6.695 363 HB3 HIS 51 2HB HIS 51 4.070 -10.434 5.504 364 HD1 HIS 51 1HD HIS 51 2.586 -11.680 7.883 365 HD2 HIS 51 2HD HIS 51 6.720 -10.879 7.820 366 HE1 HIS 51 1HE HIS 51 3.640 -13.209 9.630 367 H LEU 52 H LEU 52 4.283 -6.636 5.912 368 HA LEU 52 HA LEU 52 4.094 -6.419 3.057 369 HB2 LEU 52 1HB LEU 52 2.705 -5.016 4.469 370 HB3 LEU 52 2HB LEU 52 4.121 -4.301 5.245 371 HG LEU 52 HG LEU 52 4.811 -3.288 3.066 372 HD11 LEU 52 1HD1 LEU 52 3.716 -4.857 1.496 373 HD12 LEU 52 2HD1 LEU 52 3.200 -3.200 1.241 374 HD13 LEU 52 3HD1 LEU 52 2.119 -4.332 2.084 375 HD21 LEU 52 3HD2 LEU 52 1.985 -2.501 3.738 376 HD22 LEU 52 1HD2 LEU 52 3.260 -1.511 3.025 377 HD23 LEU 52 2HD2 LEU 52 3.409 -2.038 4.710 378 H LYS 53 H LYS 53 6.632 -5.221 5.352 379 HA LYS 53 HA LYS 53 8.368 -4.109 3.393 380 HB2 LYS 53 1HB LYS 53 8.755 -3.688 5.700 381 HB3 LYS 53 2HB LYS 53 8.828 -5.398 6.106 382 HG2 LYS 53 1HG LYS 53 10.950 -5.669 4.903 383 HG3 LYS 53 2HG LYS 53 10.855 -4.002 4.325 384 HD2 LYS 53 1HD LYS 53 12.351 -3.973 6.164 385 HD3 LYS 53 2HD LYS 53 10.828 -3.284 6.772 386 HE2 LYS 53 1HE LYS 53 10.247 -5.471 7.793 387 HE3 LYS 53 2HE LYS 53 11.731 -6.178 7.142 388 HZ1 LYS 53 3HZ LYS 53 13.003 -4.622 8.519 389 HZ2 LYS 53 1HZ LYS 53 12.015 -5.511 9.461 390 HZ3 LYS 53 2HZ LYS 53 11.635 -3.961 9.121 391 H VAL 54 H VAL 54 8.342 -7.502 4.644 392 HA VAL 54 HA VAL 54 10.394 -8.405 2.916 393 HB VAL 54 HB VAL 54 8.072 -9.952 4.131 394 HG11 VAL 54 1HG1 VAL 54 8.834 -11.301 2.264 395 HG12 VAL 54 2HG1 VAL 54 10.541 -10.986 2.658 396 HG13 VAL 54 3HG1 VAL 54 9.527 -11.983 3.732 397 HG21 VAL 54 3HG2 VAL 54 9.742 -8.929 5.697 398 HG22 VAL 54 1HG2 VAL 54 9.756 -10.696 5.726 399 HG23 VAL 54 2HG2 VAL 54 11.030 -9.805 4.851 400 H HIS 55 H HIS 55 6.859 -8.272 2.293 401 HA HIS 55 HA HIS 55 6.875 -9.477 -0.264 402 HB2 HIS 55 1HB HIS 55 4.785 -9.026 0.844 403 HB3 HIS 55 2HB HIS 55 5.122 -7.301 0.945 404 HD1 HIS 55 1HD HIS 55 4.075 -9.913 -1.671 405 HD2 HIS 55 2HD HIS 55 4.517 -5.767 -1.128 406 HE1 HIS 55 1HE HIS 55 3.072 -8.830 -3.734 407 H ILE 56 H ILE 56 7.410 -5.992 0.518 408 HA ILE 56 HA ILE 56 7.866 -5.306 -2.274 409 HB ILE 56 HB ILE 56 8.543 -3.858 0.292 410 HG12 ILE 56 1HG1 ILE 56 6.248 -3.339 -1.644 411 HG13 ILE 56 2HG1 ILE 56 6.076 -4.304 -0.186 412 HG21 ILE 56 1HG2 ILE 56 8.836 -1.848 -1.126 413 HG22 ILE 56 2HG2 ILE 56 9.965 -3.102 -1.620 414 HG23 ILE 56 3HG2 ILE 56 8.497 -2.815 -2.580 415 HD11 ILE 56 3HD1 ILE 56 6.722 -2.387 1.217 416 HD12 ILE 56 1HD1 ILE 56 6.804 -1.361 -0.235 417 HD13 ILE 56 2HD1 ILE 56 5.266 -2.090 0.251 418 H GLU 57 H GLU 57 10.044 -6.142 0.412 419 HA GLU 57 HA GLU 57 12.526 -5.713 -0.968 420 HB2 GLU 57 1HB GLU 57 11.699 -7.413 1.405 421 HB3 GLU 57 2HB GLU 57 13.371 -7.244 0.920 422 HG2 GLU 57 1HG GLU 57 11.719 -4.760 1.484 423 HG3 GLU 57 2HG GLU 57 12.378 -5.749 2.777 424 H ARG 58 H ARG 58 10.280 -8.248 -1.264 425 HA ARG 58 HA ARG 58 12.296 -9.912 -2.770 426 HB2 ARG 58 1HB ARG 58 11.222 -11.859 -2.239 427 HB3 ARG 58 2HB ARG 58 11.063 -10.899 -0.785 428 HG2 ARG 58 1HG ARG 58 8.718 -10.285 -1.544 429 HG3 ARG 58 2HG ARG 58 8.897 -11.497 -2.823 430 HD2 ARG 58 1HD ARG 58 9.168 -12.041 0.156 431 HD3 ARG 58 2HD ARG 58 7.694 -12.313 -0.789 432 HE ARG 58 HE ARG 58 9.735 -13.717 -2.118 433 HH11 ARG 58 2HH1 ARG 58 8.163 -13.955 1.006 434 HH12 ARG 58 1HH1 ARG 58 8.481 -15.664 1.135 435 HH21 ARG 58 2HH2 ARG 58 10.109 -15.894 -1.884 436 HH22 ARG 58 1HH2 ARG 58 9.548 -16.725 -0.464 437 H VAL 59 H VAL 59 9.017 -8.549 -3.145 438 HA VAL 59 HA VAL 59 8.926 -9.653 -5.841 439 HB VAL 59 HB VAL 59 6.834 -7.937 -4.454 440 HG11 VAL 59 1HG1 VAL 59 6.659 -9.713 -6.925 441 HG12 VAL 59 2HG1 VAL 59 5.297 -8.881 -6.140 442 HG13 VAL 59 3HG1 VAL 59 6.571 -7.937 -6.911 443 HG21 VAL 59 3HG2 VAL 59 5.620 -10.128 -4.195 444 HG22 VAL 59 1HG2 VAL 59 7.098 -10.967 -4.713 445 HG23 VAL 59 2HG2 VAL 59 7.068 -10.013 -3.211 446 H HIS 60 H HIS 60 8.940 -6.380 -4.372 447 HA HIS 60 HA HIS 60 9.307 -5.153 -7.048 448 HB2 HIS 60 1HB HIS 60 8.400 -3.831 -4.508 449 HB3 HIS 60 2HB HIS 60 8.310 -3.189 -6.145 450 HD1 HIS 60 1HD HIS 60 6.532 -4.703 -7.818 451 HD2 HIS 60 2HD HIS 60 6.319 -5.067 -3.636 452 HE1 HIS 60 1HE HIS 60 4.234 -5.683 -7.325 453 H LYS 61 H LYS 61 11.477 -6.284 -5.271 454 HA LYS 61 HA LYS 61 13.077 -4.180 -4.221 455 HB2 LYS 61 1HB LYS 61 13.126 -6.531 -3.587 456 HB3 LYS 61 2HB LYS 61 13.840 -6.994 -5.112 457 HG2 LYS 61 1HG LYS 61 15.136 -5.073 -3.108 458 HG3 LYS 61 2HG LYS 61 15.356 -6.813 -3.058 459 HD2 LYS 61 1HD LYS 61 16.349 -4.947 -5.234 460 HD3 LYS 61 2HD LYS 61 17.284 -5.861 -4.055 461 HE2 LYS 61 1HE LYS 61 16.280 -7.989 -5.075 462 HE3 LYS 61 2HE LYS 61 15.646 -6.964 -6.372 463 HZ1 LYS 61 3HZ LYS 61 18.524 -7.263 -5.677 464 HZ2 LYS 61 1HZ LYS 61 17.950 -6.304 -6.871 465 HZ3 LYS 61 2HZ LYS 61 17.793 -7.925 -6.974 466 H LYS 62 H LYS 62 14.182 -2.684 -5.166 467 HA LYS 62 HA LYS 62 14.910 -1.268 -6.765 468 HB2 LYS 62 1HB LYS 62 16.908 -2.800 -6.313 469 HB3 LYS 62 2HB LYS 62 16.522 -3.590 -7.842 470 HG2 LYS 62 1HG LYS 62 16.579 -1.034 -8.748 471 HG3 LYS 62 2HG LYS 62 17.467 -0.763 -7.269 472 HD2 LYS 62 1HD LYS 62 18.962 -1.108 -9.180 473 HD3 LYS 62 2HD LYS 62 19.202 -2.350 -7.955 474 HE2 LYS 62 1HE LYS 62 19.270 -3.206 -10.296 475 HE3 LYS 62 2HE LYS 62 18.074 -4.016 -9.286 476 HZ1 LYS 62 3HZ LYS 62 17.235 -3.397 -11.527 477 HZ2 LYS 62 1HZ LYS 62 17.396 -1.804 -11.154 478 HZ3 LYS 62 2HZ LYS 62 16.334 -2.730 -10.333 479 H ILE 63 H ILE 63 12.510 -1.775 -7.406 480 HA ILE 63 HA ILE 63 12.036 -2.684 -10.088 481 HB ILE 63 HB ILE 63 10.313 -2.492 -8.337 482 HG12 ILE 63 1HG1 ILE 63 9.637 -0.964 -10.879 483 HG13 ILE 63 2HG1 ILE 63 9.761 -2.720 -10.735 484 HG21 ILE 63 1HG2 ILE 63 9.284 -0.395 -7.747 485 HG22 ILE 63 2HG2 ILE 63 11.010 -0.240 -7.443 486 HG23 ILE 63 3HG2 ILE 63 10.300 0.503 -8.894 487 HD11 ILE 63 3HD1 ILE 63 7.914 -2.654 -9.018 488 HD12 ILE 63 1HD1 ILE 63 7.727 -0.915 -9.365 489 HD13 ILE 63 2HD1 ILE 63 7.435 -2.107 -10.639 490 H LYS 64 H LYS 64 11.813 -1.569 -12.029 491 HA LYS 64 HA LYS 64 13.565 0.729 -12.417 492 HB2 LYS 64 1HB LYS 64 11.728 -0.740 -14.355 493 HB3 LYS 64 2HB LYS 64 12.870 0.538 -14.793 494 HG2 LYS 64 1HG LYS 64 14.738 -0.867 -13.819 495 HG3 LYS 64 2HG LYS 64 13.567 -2.159 -13.546 496 HD2 LYS 64 1HD LYS 64 14.753 -2.665 -15.550 497 HD3 LYS 64 2HD LYS 64 13.100 -2.227 -16.006 498 HE2 LYS 64 1HE LYS 64 13.865 0.032 -16.667 499 HE3 LYS 64 2HE LYS 64 15.498 -0.332 -16.099 500 HZ1 LYS 64 3HZ LYS 64 15.644 -2.064 -17.805 501 HZ2 LYS 64 1HZ LYS 64 15.312 -0.631 -18.507 502 HZ3 LYS 64 2HZ LYS 64 14.132 -1.747 -18.331 503 H GLN 65 H GLN 65 12.999 2.695 -13.422 504 HA GLN 65 HA GLN 65 10.285 3.774 -12.731 505 HB2 GLN 65 1HB GLN 65 13.008 4.960 -12.040 506 HB3 GLN 65 2HB GLN 65 11.471 5.798 -11.833 507 HG2 GLN 65 1HG GLN 65 12.196 3.212 -10.395 508 HG3 GLN 65 2HG GLN 65 12.395 4.831 -9.749 509 HE21 GLN 65 1HE2 GLN 65 10.932 3.354 -8.147 510 HE22 GLN 65 2HE2 GLN 65 9.223 3.735 -8.315 511 H HIS 66 H HIS 66 10.087 6.133 -13.634 512 HA HIS 66 HA HIS 66 11.558 6.445 -16.191 513 HB2 HIS 66 1HB HIS 66 9.640 6.963 -17.456 514 HB3 HIS 66 2HB HIS 66 9.378 5.395 -16.706 515 HD1 HIS 66 1HD HIS 66 7.404 5.308 -14.807 516 HD2 HIS 66 2HD HIS 66 8.028 8.989 -16.751 517 HE1 HIS 66 1HE HIS 66 5.393 6.768 -14.237 518 H CYS 67 H CYS 67 12.003 8.424 -16.873 519 HA CYS 67 HA CYS 67 11.786 10.735 -15.083 520 HB2 CYS 67 1HB CYS 67 13.812 10.296 -16.397 521 HB3 CYS 67 2HB CYS 67 12.865 10.286 -17.889 522 H ARG 68 H ARG 68 10.087 12.058 -15.064 523 HA ARG 68 HA ARG 68 7.971 11.841 -17.099 524 HB2 ARG 68 1HB ARG 68 6.626 13.233 -15.787 525 HB3 ARG 68 2HB ARG 68 7.375 12.063 -14.727 526 HG2 ARG 68 1HG ARG 68 8.114 15.014 -15.024 527 HG3 ARG 68 2HG ARG 68 7.215 14.280 -13.706 528 HD2 ARG 68 1HD ARG 68 10.159 13.920 -14.340 529 HD3 ARG 68 2HD ARG 68 9.431 14.745 -12.964 530 HE ARG 68 HE ARG 68 8.742 11.880 -13.233 531 HH11 ARG 68 2HH1 ARG 68 10.688 14.206 -11.496 532 HH12 ARG 68 1HH1 ARG 68 11.107 13.057 -10.254 533 HH21 ARG 68 2HH2 ARG 68 9.419 10.437 -11.707 534 HH22 ARG 68 1HH2 ARG 68 10.385 10.982 -10.370 535 H PHE 69 H PHE 69 10.816 13.657 -16.882 536 HA PHE 69 HA PHE 69 9.774 15.983 -18.358 537 HB2 PHE 69 1HB PHE 69 12.604 15.330 -17.518 538 HB3 PHE 69 2HB PHE 69 12.010 16.876 -18.083 539 HD1 PHE 69 2HD PHE 69 9.903 17.822 -16.632 540 HD2 PHE 69 1HD PHE 69 12.900 15.063 -15.215 541 HE1 PHE 69 2HE PHE 69 9.446 18.520 -14.293 542 HE2 PHE 69 1HE PHE 69 12.470 15.796 -12.881 543 HZ PHE 69 HZ PHE 69 10.736 17.520 -12.416 544 H CYS 70 H CYS 70 11.862 13.156 -19.001 545 HA CYS 70 HA CYS 70 11.657 13.734 -21.905 546 HB2 CYS 70 1HB CYS 70 13.891 13.325 -22.352 547 HB3 CYS 70 2HB CYS 70 13.786 14.556 -21.106 548 H LYS 71 H LYS 71 10.512 11.669 -19.879 549 HA LYS 71 HA LYS 71 9.532 9.645 -20.003 550 HB2 LYS 71 1HB LYS 71 9.698 9.802 -23.010 551 HB3 LYS 71 2HB LYS 71 8.468 9.036 -22.014 552 HG2 LYS 71 1HG LYS 71 8.917 12.012 -22.444 553 HG3 LYS 71 2HG LYS 71 7.572 11.031 -23.008 554 HD2 LYS 71 1HD LYS 71 6.829 10.694 -20.645 555 HD3 LYS 71 2HD LYS 71 8.165 11.730 -20.093 556 HE2 LYS 71 1HE LYS 71 7.284 13.562 -21.594 557 HE3 LYS 71 2HE LYS 71 5.893 12.536 -21.960 558 HZ1 LYS 71 3HZ LYS 71 5.377 12.560 -19.546 559 HZ2 LYS 71 1HZ LYS 71 5.356 14.064 -20.182 560 HZ3 LYS 71 2HZ LYS 71 6.630 13.596 -19.279 561 H LYS 72 H LYS 72 12.550 9.750 -20.253 562 HA LYS 72 HA LYS 72 13.425 7.200 -21.330 563 HB2 LYS 72 1HB LYS 72 14.554 9.458 -19.681 564 HB3 LYS 72 2HB LYS 72 15.451 7.903 -19.782 565 HG2 LYS 72 1HG LYS 72 15.385 8.067 -22.265 566 HG3 LYS 72 2HG LYS 72 14.508 9.598 -22.113 567 HD2 LYS 72 1HD LYS 72 16.573 10.352 -20.644 568 HD3 LYS 72 2HD LYS 72 17.376 8.942 -21.339 569 HE2 LYS 72 1HE LYS 72 17.920 10.855 -22.684 570 HE3 LYS 72 2HE LYS 72 16.838 9.801 -23.622 571 HZ1 LYS 72 3HZ LYS 72 15.802 12.105 -22.058 572 HZ2 LYS 72 1HZ LYS 72 15.037 11.281 -23.221 573 HZ3 LYS 72 2HZ LYS 72 16.277 12.270 -23.634 574 H LYS 73 H LYS 73 13.802 5.277 -20.272 575 HA LYS 73 HA LYS 73 12.691 4.971 -17.520 576 HB2 LYS 73 1HB LYS 73 13.172 2.948 -19.719 577 HB3 LYS 73 2HB LYS 73 12.800 2.501 -18.043 578 HG2 LYS 73 1HG LYS 73 10.692 3.740 -18.103 579 HG3 LYS 73 2HG LYS 73 11.061 4.366 -19.707 580 HD2 LYS 73 1HD LYS 73 9.453 2.612 -19.946 581 HD3 LYS 73 2HD LYS 73 10.986 2.041 -20.623 582 HE2 LYS 73 1HE LYS 73 11.431 0.761 -18.543 583 HE3 LYS 73 2HE LYS 73 9.943 1.391 -17.824 584 HZ1 LYS 73 3HZ LYS 73 9.601 -0.826 -18.763 585 HZ2 LYS 73 1HZ LYS 73 10.062 -0.330 -20.247 586 HZ3 LYS 73 2HZ LYS 73 8.690 0.252 -19.577 587 H TYR 74 H TYR 74 13.742 4.112 -15.879 588 HA TYR 74 HA TYR 74 16.726 4.097 -16.025 589 HB2 TYR 74 1HB TYR 74 14.849 5.774 -14.409 590 HB3 TYR 74 2HB TYR 74 16.277 5.165 -13.583 591 HD1 TYR 74 1HD TYR 74 15.176 7.160 -16.563 592 HD2 TYR 74 2HD TYR 74 18.447 5.958 -14.034 593 HE1 TYR 74 1HE TYR 74 16.747 8.548 -17.932 594 HE2 TYR 74 2HE TYR 74 20.020 7.322 -15.407 595 HH TYR 74 HH TYR 74 20.280 8.550 -17.311 596 H SER 75 H SER 75 17.896 2.828 -14.757 597 HA SER 75 HA SER 75 16.766 0.265 -14.136 598 HB2 SER 75 1HB SER 75 19.158 -0.268 -13.612 599 HB3 SER 75 2HB SER 75 18.908 0.470 -15.201 600 HG SER 75 HG SER 75 20.650 1.455 -14.168 601 H ASP 76 H ASP 76 17.439 3.007 -12.155 602 HA ASP 76 HA ASP 76 16.517 1.660 -9.714 603 HB2 ASP 76 1HB ASP 76 19.082 1.421 -9.887 604 HB3 ASP 76 2HB ASP 76 19.167 3.172 -9.764 605 H VAL 77 H VAL 77 15.506 3.223 -8.334 606 HA VAL 77 HA VAL 77 14.735 5.759 -9.469 607 HB VAL 77 HB VAL 77 13.461 4.506 -7.700 608 HG11 VAL 77 1HG1 VAL 77 15.417 5.720 -5.706 609 HG12 VAL 77 2HG1 VAL 77 13.968 4.763 -5.362 610 HG13 VAL 77 3HG1 VAL 77 15.357 3.994 -6.144 611 HG21 VAL 77 3HG2 VAL 77 12.984 6.869 -8.275 612 HG22 VAL 77 1HG2 VAL 77 12.644 6.505 -6.574 613 HG23 VAL 77 2HG2 VAL 77 14.115 7.398 -7.012 614 H LYS 78 H LYS 78 17.446 4.814 -7.333 615 HA LYS 78 HA LYS 78 18.322 7.488 -6.695 616 HB2 LYS 78 1HB LYS 78 19.846 4.859 -6.898 617 HB3 LYS 78 2HB LYS 78 20.511 6.344 -6.214 618 HG2 LYS 78 1HG LYS 78 18.820 6.399 -4.464 619 HG3 LYS 78 2HG LYS 78 17.998 4.987 -5.128 620 HD2 LYS 78 1HD LYS 78 20.853 4.967 -4.060 621 HD3 LYS 78 2HD LYS 78 19.414 4.483 -3.145 622 HE2 LYS 78 1HE LYS 78 18.908 2.753 -4.883 623 HE3 LYS 78 2HE LYS 78 20.393 3.184 -5.728 624 HZ1 LYS 78 3HZ LYS 78 21.645 2.517 -3.743 625 HZ2 LYS 78 1HZ LYS 78 20.734 1.278 -4.292 626 HZ3 LYS 78 2HZ LYS 78 20.265 2.104 -2.964 627 H ASN 79 H ASN 79 18.934 5.439 -9.514 628 HA ASN 79 HA ASN 79 20.917 7.239 -10.669 629 HB2 ASN 79 1HB ASN 79 19.280 4.945 -11.868 630 HB3 ASN 79 2HB ASN 79 20.549 5.815 -12.726 631 HD21 ASN 79 1HD2 ASN 79 20.649 3.021 -12.401 632 HD22 ASN 79 2HD2 ASN 79 22.017 2.692 -11.349 633 H LEU 80 H LEU 80 17.386 6.860 -10.950 634 HA LEU 80 HA LEU 80 16.972 8.761 -13.027 635 HB2 LEU 80 1HB LEU 80 15.264 7.161 -12.191 636 HB3 LEU 80 2HB LEU 80 15.233 8.036 -10.654 637 HG LEU 80 HG LEU 80 14.341 10.036 -11.725 638 HD11 LEU 80 1HD1 LEU 80 15.285 9.773 -14.003 639 HD12 LEU 80 2HD1 LEU 80 13.536 9.958 -14.034 640 HD13 LEU 80 3HD1 LEU 80 14.255 8.345 -14.260 641 HD21 LEU 80 3HD2 LEU 80 12.826 8.272 -10.837 642 HD22 LEU 80 1HD2 LEU 80 12.764 7.554 -12.465 643 HD23 LEU 80 2HD2 LEU 80 12.118 9.183 -12.185 644 H ILE 81 H ILE 81 17.213 9.228 -9.448 645 HA ILE 81 HA ILE 81 16.686 12.018 -9.449 646 HB ILE 81 HB ILE 81 18.671 10.691 -7.584 647 HG12 ILE 81 1HG1 ILE 81 16.900 9.249 -7.402 648 HG13 ILE 81 2HG1 ILE 81 16.797 10.283 -6.042 649 HG21 ILE 81 1HG2 ILE 81 17.834 12.408 -5.993 650 HG22 ILE 81 2HG2 ILE 81 18.582 13.119 -7.427 651 HG23 ILE 81 3HG2 ILE 81 16.812 13.084 -7.284 652 HD11 ILE 81 3HD1 ILE 81 14.556 9.894 -6.879 653 HD12 ILE 81 1HD1 ILE 81 14.966 11.600 -7.141 654 HD13 ILE 81 2HD1 ILE 81 15.006 10.451 -8.498 655 H LYS 82 H LYS 82 19.815 10.299 -9.724 656 HA LYS 82 HA LYS 82 21.442 12.617 -10.013 657 HB2 LYS 82 1HB LYS 82 22.216 10.299 -9.481 658 HB3 LYS 82 2HB LYS 82 21.903 9.816 -11.154 659 HG2 LYS 82 1HG LYS 82 23.559 11.488 -11.946 660 HG3 LYS 82 2HG LYS 82 23.874 11.983 -10.279 661 HD2 LYS 82 1HD LYS 82 24.360 9.193 -11.425 662 HD3 LYS 82 2HD LYS 82 25.592 10.447 -11.223 663 HE2 LYS 82 1HE LYS 82 25.161 10.467 -8.764 664 HE3 LYS 82 2HE LYS 82 23.983 9.164 -8.968 665 HZ1 LYS 82 3HZ LYS 82 26.159 8.296 -8.335 666 HZ2 LYS 82 1HZ LYS 82 26.872 8.968 -9.639 667 HZ3 LYS 82 2HZ LYS 82 25.784 7.761 -9.831 668 H HIS 83 H HIS 83 19.806 10.681 -12.553 669 HA HIS 83 HA HIS 83 20.610 12.242 -14.818 670 HB2 HIS 83 1HB HIS 83 19.556 10.139 -15.161 671 HB3 HIS 83 2HB HIS 83 18.171 10.551 -14.167 672 HD1 HIS 83 1HD HIS 83 19.600 11.415 -17.638 673 HD2 HIS 83 2HD HIS 83 16.115 11.714 -15.311 674 HE1 HIS 83 1HE HIS 83 17.800 12.242 -19.211 675 H ILE 84 H ILE 84 17.788 12.742 -12.629 676 HA ILE 84 HA ILE 84 16.863 15.095 -13.986 677 HB ILE 84 HB ILE 84 16.496 13.981 -11.199 678 HG12 ILE 84 1HG1 ILE 84 14.464 14.380 -13.435 679 HG13 ILE 84 2HG1 ILE 84 15.489 12.952 -13.365 680 HG21 ILE 84 1HG2 ILE 84 14.693 15.678 -10.856 681 HG22 ILE 84 2HG2 ILE 84 16.303 16.381 -10.878 682 HG23 ILE 84 3HG2 ILE 84 15.255 16.531 -12.309 683 HD11 ILE 84 3HD1 ILE 84 14.649 12.430 -11.100 684 HD12 ILE 84 1HD1 ILE 84 13.496 13.776 -11.242 685 HD13 ILE 84 2HD1 ILE 84 13.396 12.400 -12.369 686 H ARG 85 H ARG 85 19.074 14.750 -11.213 687 HA ARG 85 HA ARG 85 19.655 17.555 -10.915 688 HB2 ARG 85 1HB ARG 85 21.223 15.053 -10.167 689 HB3 ARG 85 2HB ARG 85 21.703 16.690 -9.697 690 HG2 ARG 85 1HG ARG 85 19.592 17.044 -8.527 691 HG3 ARG 85 2HG ARG 85 19.010 15.437 -8.987 692 HD2 ARG 85 1HD ARG 85 20.805 14.368 -7.752 693 HD3 ARG 85 2HD ARG 85 21.495 15.954 -7.321 694 HE ARG 85 HE ARG 85 18.817 15.960 -6.441 695 HH11 ARG 85 2HH1 ARG 85 21.741 14.223 -5.597 696 HH12 ARG 85 1HH1 ARG 85 21.211 13.943 -3.961 697 HH21 ARG 85 2HH2 ARG 85 18.207 15.572 -4.339 698 HH22 ARG 85 1HH2 ARG 85 19.262 14.695 -3.273 699 H ASP 86 H ASP 86 20.917 15.311 -13.241 700 HA ASP 86 HA ASP 86 23.102 17.162 -14.041 701 HB2 ASP 86 1HB ASP 86 22.331 14.352 -14.894 702 HB3 ASP 86 2HB ASP 86 23.581 15.297 -15.689 703 H ALA 87 H ALA 87 20.090 15.851 -15.478 704 HA ALA 87 HA ALA 87 20.535 17.484 -17.923 705 HB1 ALA 87 1HB ALA 87 20.280 15.029 -18.112 706 HB2 ALA 87 2HB ALA 87 18.659 15.149 -17.387 707 HB3 ALA 87 3HB ALA 87 18.990 15.909 -18.955 708 H HIS 88 H HIS 88 18.290 17.277 -15.207 709 HA HIS 88 HA HIS 88 16.511 19.318 -16.470 710 HB2 HIS 88 1HB HIS 88 15.709 17.059 -14.619 711 HB3 HIS 88 2HB HIS 88 14.649 18.200 -15.426 712 HD1 HIS 88 1HD HIS 88 15.331 18.001 -18.401 713 HD2 HIS 88 2HD HIS 88 15.518 14.766 -15.731 714 HE1 HIS 88 1HE HIS 88 15.155 15.913 -19.837 715 H ASP 89 H ASP 89 18.824 19.685 -14.615 716 HA ASP 89 HA ASP 89 18.166 20.095 -12.018 717 HB2 ASP 89 1HB ASP 89 20.127 21.438 -11.808 718 HB3 ASP 89 2HB ASP 89 20.427 20.126 -12.936 719 HA PRO 90 HA PRO 90 15.381 23.512 -11.916 720 HB2 PRO 90 1HB PRO 90 15.393 24.157 -9.249 721 HB3 PRO 90 2HB PRO 90 14.676 22.654 -9.909 722 HG2 PRO 90 1HG PRO 90 17.429 23.027 -8.690 723 HG3 PRO 90 2HG PRO 90 16.227 21.745 -8.337 724 HD2 PRO 90 1HD PRO 90 18.292 21.337 -10.066 725 HD3 PRO 90 2HD PRO 90 16.688 20.630 -10.390 726 H GLN 91 H GLN 91 15.174 25.768 -11.747 727 HA GLN 91 HA GLN 91 17.703 27.320 -11.681 728 HB2 GLN 91 1HB GLN 91 16.637 27.242 -13.860 729 HB3 GLN 91 2HB GLN 91 15.084 27.711 -13.170 730 HG2 GLN 91 1HG GLN 91 16.118 29.599 -14.298 731 HG3 GLN 91 2HG GLN 91 15.957 29.917 -12.579 732 HE21 GLN 91 1HE2 GLN 91 17.796 30.813 -11.616 733 HE22 GLN 91 2HE2 GLN 91 19.427 30.613 -12.273 734 H ASP 92 H ASP 92 17.959 28.622 -10.072 735 HA ASP 92 HA ASP 92 15.950 29.407 -8.114 736 HB2 ASP 92 1HB ASP 92 18.308 29.051 -7.523 737 HB3 ASP 92 2HB ASP 92 18.797 30.358 -8.594 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 13.430 4.911 43.623 2 H2 GLY 1 2H GLY 1 12.606 3.502 43.751 3 H3 GLY 1 3H GLY 1 11.871 4.918 44.128 4 HA2 GLY 1 1HA GLY 1 11.090 4.152 41.994 5 HA3 GLY 1 2HA GLY 1 11.998 5.667 41.847 6 H SER 2 H SER 2 12.580 5.278 39.688 7 HA SER 2 HA SER 2 14.019 2.878 38.857 8 HB2 SER 2 1HB SER 2 14.176 4.070 36.693 9 HB3 SER 2 2HB SER 2 12.523 3.960 37.314 10 HG SER 2 HG SER 2 13.018 6.067 36.536 11 H SER 3 H SER 3 16.111 3.087 37.653 12 HA SER 3 HA SER 3 18.019 5.098 38.702 13 HB2 SER 3 1HB SER 3 18.127 3.239 40.304 14 HB3 SER 3 2HB SER 3 18.406 2.092 38.979 15 HG SER 3 HG SER 3 20.344 2.850 40.080 16 H GLY 4 H GLY 4 19.815 5.430 37.407 17 HA2 GLY 4 1HA GLY 4 19.619 4.931 34.588 18 HA3 GLY 4 2HA GLY 4 21.011 5.597 35.451 19 H SER 5 H SER 5 21.038 2.996 37.152 20 HA SER 5 HA SER 5 22.820 1.381 35.569 21 HB2 SER 5 1HB SER 5 21.294 0.703 38.113 22 HB3 SER 5 2HB SER 5 22.659 -0.211 37.440 23 HG SER 5 HG SER 5 23.319 1.269 39.079 24 H SER 6 H SER 6 19.337 1.423 35.798 25 HA SER 6 HA SER 6 19.032 -1.245 34.528 26 HB2 SER 6 1HB SER 6 16.937 0.665 35.612 27 HB3 SER 6 2HB SER 6 16.654 -0.972 34.987 28 HG SER 6 HG SER 6 16.824 -0.958 37.272 29 H GLY 7 H GLY 7 20.349 0.429 32.879 30 HA2 GLY 7 1HA GLY 7 18.828 2.175 31.240 31 HA3 GLY 7 2HA GLY 7 20.408 1.509 30.849 32 H LYS 8 H LYS 8 17.887 2.006 29.309 33 HA LYS 8 HA LYS 8 17.164 -0.637 28.194 34 HB2 LYS 8 1HB LYS 8 15.631 1.965 28.463 35 HB3 LYS 8 2HB LYS 8 14.994 0.507 27.707 36 HG2 LYS 8 1HG LYS 8 15.083 -0.707 29.826 37 HG3 LYS 8 2HG LYS 8 15.949 0.617 30.591 38 HD2 LYS 8 1HD LYS 8 13.941 2.093 30.241 39 HD3 LYS 8 2HD LYS 8 13.088 0.696 29.571 40 HE2 LYS 8 1HE LYS 8 12.437 0.908 31.875 41 HE3 LYS 8 2HE LYS 8 13.447 -0.533 31.724 42 HZ1 LYS 8 3HZ LYS 8 15.327 0.781 32.612 43 HZ2 LYS 8 1HZ LYS 8 14.067 0.808 33.657 44 HZ3 LYS 8 2HZ LYS 8 14.377 2.112 32.726 45 HA PRO 9 HA PRO 9 19.311 1.744 24.796 46 HB2 PRO 9 1HB PRO 9 20.718 -0.376 23.718 47 HB3 PRO 9 2HB PRO 9 21.260 0.547 25.141 48 HG2 PRO 9 1HG PRO 9 19.763 -2.074 25.135 49 HG3 PRO 9 2HG PRO 9 21.268 -1.668 26.022 50 HD2 PRO 9 1HD PRO 9 18.826 -1.507 27.203 51 HD3 PRO 9 2HD PRO 9 20.083 -0.298 27.554 52 H TYR 10 H TYR 10 17.522 -1.323 24.703 53 HA TYR 10 HA TYR 10 17.215 -1.221 21.836 54 HB2 TYR 10 1HB TYR 10 15.895 -3.036 23.846 55 HB3 TYR 10 2HB TYR 10 16.153 -3.316 22.122 56 HD1 TYR 10 2HD TYR 10 18.997 -2.593 21.674 57 HD2 TYR 10 1HD TYR 10 17.216 -4.393 25.151 58 HE1 TYR 10 2HE TYR 10 21.146 -3.683 22.200 59 HE2 TYR 10 1HE TYR 10 19.401 -5.426 25.728 60 HH TYR 10 HH TYR 10 22.306 -5.021 23.664 61 H LYS 11 H LYS 11 16.154 0.477 21.215 62 HA LYS 11 HA LYS 11 13.517 1.326 22.279 63 HB2 LYS 11 1HB LYS 11 15.524 2.533 20.348 64 HB3 LYS 11 2HB LYS 11 13.858 3.076 20.349 65 HG2 LYS 11 1HG LYS 11 15.046 4.598 21.664 66 HG3 LYS 11 2HG LYS 11 14.004 3.676 22.742 67 HD2 LYS 11 1HD LYS 11 15.945 2.358 23.519 68 HD3 LYS 11 2HD LYS 11 16.986 3.183 22.329 69 HE2 LYS 11 1HE LYS 11 16.488 5.358 23.410 70 HE3 LYS 11 2HE LYS 11 15.482 4.527 24.612 71 HZ1 LYS 11 3HZ LYS 11 18.389 4.085 24.241 72 HZ2 LYS 11 1HZ LYS 11 17.430 3.352 25.369 73 HZ3 LYS 11 2HZ LYS 11 17.716 4.962 25.446 74 H CYS 12 H CYS 12 11.637 1.497 21.132 75 HA CYS 12 HA CYS 12 11.182 -0.311 18.898 76 HB2 CYS 12 1HB CYS 12 9.622 -0.078 20.718 77 HB3 CYS 12 2HB CYS 12 9.440 1.652 20.402 78 HA PRO 13 HA PRO 13 11.794 3.040 15.879 79 HB2 PRO 13 1HB PRO 13 11.198 1.691 13.601 80 HB3 PRO 13 2HB PRO 13 12.671 1.335 14.552 81 HG2 PRO 13 1HG PRO 13 10.036 -0.152 14.550 82 HG3 PRO 13 2HG PRO 13 11.691 -0.826 14.489 83 HD2 PRO 13 1HD PRO 13 10.186 -0.550 16.824 84 HD3 PRO 13 2HD PRO 13 11.971 -0.575 16.793 85 H GLN 14 H GLN 14 8.836 1.587 16.848 86 HA GLN 14 HA GLN 14 7.192 3.255 14.994 87 HB2 GLN 14 1HB GLN 14 6.233 0.887 16.610 88 HB3 GLN 14 2HB GLN 14 5.455 1.702 15.259 89 HG2 GLN 14 1HG GLN 14 7.597 0.950 13.918 90 HG3 GLN 14 2HG GLN 14 7.844 -0.163 15.265 91 HE21 GLN 14 1HE2 GLN 14 7.325 -2.178 14.386 92 HE22 GLN 14 2HE2 GLN 14 5.819 -2.492 13.541 93 H CYS 15 H CYS 15 7.812 2.681 18.448 94 HA CYS 15 HA CYS 15 6.220 5.109 19.040 95 HB2 CYS 15 1HB CYS 15 4.942 4.098 20.792 96 HB3 CYS 15 2HB CYS 15 4.668 3.215 19.298 97 H SER 16 H SER 16 6.385 5.327 21.681 98 HA SER 16 HA SER 16 9.141 6.137 22.076 99 HB2 SER 16 1HB SER 16 8.265 7.082 24.196 100 HB3 SER 16 2HB SER 16 7.347 7.583 22.768 101 HG SER 16 HG SER 16 5.980 6.938 24.512 102 H TYR 17 H TYR 17 7.857 3.125 22.478 103 HA TYR 17 HA TYR 17 8.684 2.265 25.038 104 HB2 TYR 17 1HB TYR 17 7.166 1.035 23.614 105 HB3 TYR 17 2HB TYR 17 8.403 0.812 22.393 106 HD1 TYR 17 1HD TYR 17 7.319 -0.090 25.845 107 HD2 TYR 17 2HD TYR 17 10.014 -1.037 22.607 108 HE1 TYR 17 1HE TYR 17 7.838 -2.288 26.904 109 HE2 TYR 17 2HE TYR 17 10.488 -3.243 23.640 110 HH TYR 17 HH TYR 17 9.823 -4.742 25.257 111 H ALA 18 H ALA 18 10.438 1.238 25.842 112 HA ALA 18 HA ALA 18 12.704 0.495 24.200 113 HB1 ALA 18 1HB ALA 18 13.112 2.480 26.483 114 HB2 ALA 18 2HB ALA 18 14.380 1.750 25.475 115 HB3 ALA 18 3HB ALA 18 13.219 2.883 24.758 116 H SER 19 H SER 19 14.058 -1.077 25.224 117 HA SER 19 HA SER 19 13.478 -1.778 28.052 118 HB2 SER 19 1HB SER 19 12.014 -3.207 26.599 119 HB3 SER 19 2HB SER 19 13.482 -3.881 25.864 120 HG SER 19 HG SER 19 12.624 -4.015 28.584 121 H ALA 20 H ALA 20 15.164 -2.583 29.192 122 HA ALA 20 HA ALA 20 17.838 -2.736 28.340 123 HB1 ALA 20 1HB ALA 20 18.185 -3.708 30.513 124 HB2 ALA 20 2HB ALA 20 16.984 -2.408 30.633 125 HB3 ALA 20 3HB ALA 20 16.453 -4.113 30.651 126 H ILE 21 H ILE 21 15.375 -5.029 27.615 127 HA ILE 21 HA ILE 21 17.423 -7.154 27.057 128 HB ILE 21 HB ILE 21 14.492 -7.574 27.676 129 HG12 ILE 21 1HG1 ILE 21 16.942 -7.866 29.482 130 HG13 ILE 21 2HG1 ILE 21 15.583 -6.766 29.714 131 HG21 ILE 21 1HG2 ILE 21 16.786 -9.577 27.485 132 HG22 ILE 21 2HG2 ILE 21 15.073 -9.949 27.789 133 HG23 ILE 21 3HG2 ILE 21 15.552 -9.312 26.235 134 HD11 ILE 21 3HD1 ILE 21 15.539 -9.781 30.035 135 HD12 ILE 21 1HD1 ILE 21 15.332 -8.538 31.275 136 HD13 ILE 21 2HD1 ILE 21 14.080 -8.760 30.037 137 H LYS 22 H LYS 22 17.664 -7.712 24.954 138 HA LYS 22 HA LYS 22 16.149 -6.285 22.951 139 HB2 LYS 22 1HB LYS 22 18.578 -6.889 22.871 140 HB3 LYS 22 2HB LYS 22 18.116 -8.553 22.488 141 HG2 LYS 22 1HG LYS 22 17.160 -7.889 20.389 142 HG3 LYS 22 2HG LYS 22 17.072 -6.190 20.870 143 HD2 LYS 22 1HD LYS 22 18.854 -6.528 19.243 144 HD3 LYS 22 2HD LYS 22 19.492 -5.959 20.787 145 HE2 LYS 22 1HE LYS 22 20.197 -8.240 21.383 146 HE3 LYS 22 2HE LYS 22 19.480 -8.879 19.895 147 HZ1 LYS 22 3HZ LYS 22 21.872 -8.534 19.652 148 HZ2 LYS 22 1HZ LYS 22 21.740 -6.948 20.006 149 HZ3 LYS 22 2HZ LYS 22 21.080 -7.539 18.633 150 H ALA 23 H ALA 23 15.881 -9.599 24.183 151 HA ALA 23 HA ALA 23 13.897 -10.525 22.345 152 HB1 ALA 23 1HB ALA 23 15.096 -11.967 23.958 153 HB2 ALA 23 2HB ALA 23 14.248 -11.174 25.307 154 HB3 ALA 23 3HB ALA 23 13.338 -12.127 24.119 155 H ASN 24 H ASN 24 13.597 -8.421 25.234 156 HA ASN 24 HA ASN 24 10.705 -8.280 25.142 157 HB2 ASN 24 1HB ASN 24 12.816 -6.564 26.498 158 HB3 ASN 24 2HB ASN 24 11.113 -6.221 26.593 159 HD21 ASN 24 1HD2 ASN 24 12.157 -6.467 28.919 160 HD22 ASN 24 2HD2 ASN 24 11.775 -8.023 29.651 161 H LEU 25 H LEU 25 13.199 -6.649 23.306 162 HA LEU 25 HA LEU 25 11.263 -4.723 22.192 163 HB2 LEU 25 1HB LEU 25 13.611 -4.099 22.276 164 HB3 LEU 25 2HB LEU 25 14.054 -5.486 21.278 165 HG LEU 25 HG LEU 25 12.754 -4.570 19.380 166 HD11 LEU 25 1HD1 LEU 25 11.960 -2.235 19.452 167 HD12 LEU 25 2HD1 LEU 25 12.284 -2.163 21.200 168 HD13 LEU 25 3HD1 LEU 25 11.030 -3.247 20.548 169 HD21 LEU 25 3HD2 LEU 25 14.248 -2.765 18.812 170 HD22 LEU 25 1HD2 LEU 25 15.158 -4.017 19.675 171 HD23 LEU 25 2HD2 LEU 25 14.678 -2.520 20.513 172 H ASN 26 H ASN 26 12.611 -7.884 21.177 173 HA ASN 26 HA ASN 26 11.320 -7.912 18.598 174 HB2 ASN 26 1HB ASN 26 12.459 -10.115 20.370 175 HB3 ASN 26 2HB ASN 26 11.677 -10.458 18.829 176 HD21 ASN 26 1HD2 ASN 26 14.283 -8.445 20.225 177 HD22 ASN 26 2HD2 ASN 26 15.284 -8.520 18.769 178 H VAL 27 H VAL 27 10.231 -9.155 21.770 179 HA VAL 27 HA VAL 27 7.742 -10.215 20.858 180 HB VAL 27 HB VAL 27 8.924 -10.551 23.059 181 HG11 VAL 27 1HG1 VAL 27 8.492 -9.206 24.929 182 HG12 VAL 27 2HG1 VAL 27 9.183 -8.222 23.624 183 HG13 VAL 27 3HG1 VAL 27 7.440 -8.115 23.997 184 HG21 VAL 27 3HG2 VAL 27 6.856 -11.039 24.280 185 HG22 VAL 27 1HG2 VAL 27 5.935 -10.003 23.167 186 HG23 VAL 27 2HG2 VAL 27 6.697 -11.497 22.576 187 H HIS 28 H HIS 28 8.721 -6.952 21.690 188 HA HIS 28 HA HIS 28 6.085 -5.907 22.052 189 HB2 HIS 28 1HB HIS 28 7.950 -5.001 23.191 190 HB3 HIS 28 2HB HIS 28 8.832 -4.673 21.704 191 HD1 HIS 28 1HD HIS 28 6.021 -3.080 23.740 192 HD2 HIS 28 2HD HIS 28 8.137 -2.623 20.135 193 HE1 HIS 28 1HE HIS 28 5.283 -0.853 22.781 194 H LEU 29 H LEU 29 8.269 -5.980 19.276 195 HA LEU 29 HA LEU 29 6.769 -4.266 17.541 196 HB2 LEU 29 1HB LEU 29 8.563 -6.628 16.910 197 HB3 LEU 29 2HB LEU 29 8.014 -5.454 15.720 198 HG LEU 29 HG LEU 29 9.692 -4.672 18.134 199 HD11 LEU 29 1HD1 LEU 29 10.932 -6.264 16.715 200 HD12 LEU 29 2HD1 LEU 29 11.605 -4.630 16.601 201 HD13 LEU 29 3HD1 LEU 29 10.584 -5.263 15.286 202 HD21 LEU 29 3HD2 LEU 29 8.478 -2.789 17.121 203 HD22 LEU 29 1HD2 LEU 29 9.109 -3.239 15.513 204 HD23 LEU 29 2HD2 LEU 29 10.210 -2.698 16.795 205 H ARG 30 H ARG 30 6.119 -7.526 18.552 206 HA ARG 30 HA ARG 30 4.355 -8.366 16.458 207 HB2 ARG 30 1HB ARG 30 4.204 -9.052 19.425 208 HB3 ARG 30 2HB ARG 30 3.465 -9.956 18.118 209 HG2 ARG 30 1HG ARG 30 5.640 -10.596 17.216 210 HG3 ARG 30 2HG ARG 30 6.481 -9.587 18.406 211 HD2 ARG 30 1HD ARG 30 5.543 -10.935 20.248 212 HD3 ARG 30 2HD ARG 30 4.723 -11.976 19.062 213 HE ARG 30 HE ARG 30 7.512 -11.853 18.439 214 HH11 ARG 30 2HH1 ARG 30 5.424 -13.328 20.837 215 HH12 ARG 30 1HH1 ARG 30 6.554 -14.612 21.164 216 HH21 ARG 30 2HH2 ARG 30 8.899 -13.530 18.892 217 HH22 ARG 30 1HH2 ARG 30 8.468 -14.716 20.088 218 H LYS 31 H LYS 31 3.814 -6.307 19.281 219 HA LYS 31 HA LYS 31 0.930 -6.256 19.209 220 HB2 LYS 31 1HB LYS 31 2.761 -4.071 20.287 221 HB3 LYS 31 2HB LYS 31 1.098 -4.437 20.773 222 HG2 LYS 31 1HG LYS 31 1.926 -6.689 21.602 223 HG3 LYS 31 2HG LYS 31 3.574 -6.143 21.231 224 HD2 LYS 31 1HD LYS 31 3.032 -4.089 22.750 225 HD3 LYS 31 2HD LYS 31 1.657 -5.075 23.323 226 HE2 LYS 31 1HE LYS 31 3.359 -6.968 23.633 227 HE3 LYS 31 2HE LYS 31 4.613 -5.776 23.288 228 HZ1 LYS 31 3HZ LYS 31 3.800 -4.507 25.260 229 HZ2 LYS 31 1HZ LYS 31 4.263 -6.011 25.704 230 HZ3 LYS 31 2HZ LYS 31 2.680 -5.652 25.563 231 H HIS 32 H HIS 32 3.360 -4.459 17.527 232 HA HIS 32 HA HIS 32 1.534 -2.518 16.338 233 HB2 HIS 32 1HB HIS 32 4.420 -3.204 15.680 234 HB3 HIS 32 2HB HIS 32 3.496 -1.891 14.960 235 HD1 HIS 32 1HD HIS 32 2.312 -0.235 17.092 236 HD2 HIS 32 2HD HIS 32 5.944 -2.291 17.606 237 HE1 HIS 32 1HE HIS 32 3.497 0.941 18.994 238 H THR 33 H THR 33 1.582 -5.756 15.736 239 HA THR 33 HA THR 33 0.824 -5.466 12.858 240 HB THR 33 HB THR 33 0.820 -7.811 12.660 241 HG1 THR 33 1HG THR 33 1.383 -7.989 15.433 242 HG21 THR 33 3HG2 THR 33 3.054 -6.750 12.572 243 HG22 THR 33 1HG2 THR 33 3.099 -8.439 13.107 244 HG23 THR 33 2HG2 THR 33 3.291 -7.130 14.292 245 H GLY 34 H GLY 34 -1.141 -7.026 12.323 246 HA2 GLY 34 1HA GLY 34 -3.320 -7.760 12.790 247 HA3 GLY 34 2HA GLY 34 -3.316 -6.891 14.324 248 H GLU 35 H GLU 35 -2.358 -5.296 11.337 249 HA GLU 35 HA GLU 35 -4.986 -3.974 10.944 250 HB2 GLU 35 1HB GLU 35 -3.644 -2.545 12.482 251 HB3 GLU 35 2HB GLU 35 -2.342 -2.498 11.286 252 HG2 GLU 35 1HG GLU 35 -3.746 -1.284 9.715 253 HG3 GLU 35 2HG GLU 35 -5.168 -1.522 10.731 254 H LYS 36 H LYS 36 -5.373 -3.313 8.793 255 HA LYS 36 HA LYS 36 -3.780 -4.795 6.839 256 HB2 LYS 36 1HB LYS 36 -6.215 -3.005 6.516 257 HB3 LYS 36 2HB LYS 36 -5.362 -3.796 5.177 258 HG2 LYS 36 1HG LYS 36 -5.722 -6.014 6.365 259 HG3 LYS 36 2HG LYS 36 -6.810 -5.160 7.479 260 HD2 LYS 36 1HD LYS 36 -8.216 -4.460 5.532 261 HD3 LYS 36 2HD LYS 36 -7.064 -5.244 4.440 262 HE2 LYS 36 1HE LYS 36 -8.892 -6.738 4.650 263 HE3 LYS 36 2HE LYS 36 -7.541 -7.442 5.537 264 HZ1 LYS 36 3HZ LYS 36 -9.816 -5.959 6.762 265 HZ2 LYS 36 1HZ LYS 36 -8.582 -6.626 7.604 266 HZ3 LYS 36 2HZ LYS 36 -9.628 -7.578 6.791 267 H PHE 37 H PHE 37 -1.967 -4.233 6.308 268 HA PHE 37 HA PHE 37 -1.391 -1.457 5.361 269 HB2 PHE 37 1HB PHE 37 0.606 -3.702 5.678 270 HB3 PHE 37 2HB PHE 37 0.896 -1.965 5.522 271 HD1 PHE 37 2HD PHE 37 0.158 -0.426 7.444 272 HD2 PHE 37 1HD PHE 37 0.373 -4.718 7.781 273 HE1 PHE 37 2HE PHE 37 0.165 -0.235 9.914 274 HE2 PHE 37 1HE PHE 37 0.359 -4.529 10.240 275 HZ PHE 37 HZ PHE 37 0.260 -2.287 11.327 276 H ALA 38 H ALA 38 -1.608 -1.106 3.267 277 HA ALA 38 HA ALA 38 -1.614 -3.295 1.283 278 HB1 ALA 38 1HB ALA 38 -2.463 -1.599 -0.255 279 HB2 ALA 38 2HB ALA 38 -3.411 -1.579 1.248 280 HB3 ALA 38 3HB ALA 38 -2.181 -0.325 0.947 281 H CYS 39 H CYS 39 -0.258 -3.493 -0.507 282 HA CYS 39 HA CYS 39 2.423 -2.448 -0.316 283 HB2 CYS 39 1HB CYS 39 1.843 -4.612 -1.179 284 HB3 CYS 39 2HB CYS 39 0.843 -3.910 -2.447 285 H ASP 40 H ASP 40 3.452 -0.941 -1.458 286 HA ASP 40 HA ASP 40 1.858 1.294 -2.528 287 HB2 ASP 40 1HB ASP 40 3.802 1.585 -0.951 288 HB3 ASP 40 2HB ASP 40 4.872 1.021 -2.233 289 H TYR 41 H TYR 41 3.055 -1.565 -3.805 290 HA TYR 41 HA TYR 41 3.614 -0.393 -6.519 291 HB2 TYR 41 1HB TYR 41 4.776 -2.853 -5.181 292 HB3 TYR 41 2HB TYR 41 5.088 -2.329 -6.820 293 HD1 TYR 41 2HD TYR 41 5.542 -1.595 -3.238 294 HD2 TYR 41 1HD TYR 41 6.680 -0.511 -7.247 295 HE1 TYR 41 2HE TYR 41 7.425 -0.217 -2.330 296 HE2 TYR 41 1HE TYR 41 8.581 0.839 -6.349 297 HH TYR 41 HH TYR 41 9.217 1.099 -2.831 298 H CYS 42 H CYS 42 1.828 -2.871 -4.765 299 HA CYS 42 HA CYS 42 0.221 -3.293 -7.208 300 HB2 CYS 42 1HB CYS 42 0.154 -5.708 -7.006 301 HB3 CYS 42 2HB CYS 42 1.800 -5.137 -7.293 302 H SER 43 H SER 43 -1.702 -4.873 -6.579 303 HA SER 43 HA SER 43 -3.299 -3.515 -4.590 304 HB2 SER 43 1HB SER 43 -3.903 -6.056 -6.144 305 HB3 SER 43 2HB SER 43 -5.073 -5.031 -5.292 306 HG SER 43 HG SER 43 -5.004 -4.574 -7.542 307 H PHE 44 H PHE 44 -0.896 -5.637 -3.927 308 HA PHE 44 HA PHE 44 -2.043 -7.627 -2.282 309 HB2 PHE 44 1HB PHE 44 0.193 -7.717 -3.090 310 HB3 PHE 44 2HB PHE 44 0.663 -6.281 -2.206 311 HD1 PHE 44 2HD PHE 44 -0.300 -9.869 -1.854 312 HD2 PHE 44 1HD PHE 44 1.390 -6.407 0.079 313 HE1 PHE 44 2HE PHE 44 0.491 -11.296 0.023 314 HE2 PHE 44 1HE PHE 44 2.201 -7.835 1.937 315 HZ PHE 44 HZ PHE 44 1.746 -10.281 1.917 316 H THR 45 H THR 45 -2.232 -7.832 -0.071 317 HA THR 45 HA THR 45 -1.822 -5.547 1.713 318 HB THR 45 HB THR 45 -3.997 -5.889 2.829 319 HG1 THR 45 1HG THR 45 -4.734 -7.208 0.431 320 HG21 THR 45 3HG2 THR 45 -5.361 -4.599 1.248 321 HG22 THR 45 1HG2 THR 45 -4.176 -4.930 -0.044 322 HG23 THR 45 2HG2 THR 45 -3.704 -3.996 1.397 323 H CYS 46 H CYS 46 -1.650 -6.056 3.879 324 HA CYS 46 HA CYS 46 -1.682 -8.897 4.723 325 HB2 CYS 46 1HB CYS 46 0.578 -8.348 3.659 326 HB3 CYS 46 2HB CYS 46 0.846 -7.227 5.013 327 HG CYS 46 HG CYS 46 2.132 -9.565 5.291 328 H LEU 47 H LEU 47 -1.517 -9.192 7.007 329 HA LEU 47 HA LEU 47 -2.417 -6.890 8.634 330 HB2 LEU 47 1HB LEU 47 -2.244 -9.853 9.267 331 HB3 LEU 47 2HB LEU 47 -2.865 -8.616 10.357 332 HG LEU 47 HG LEU 47 -4.086 -9.372 7.667 333 HD11 LEU 47 1HD1 LEU 47 -5.057 -9.812 10.521 334 HD12 LEU 47 2HD1 LEU 47 -4.394 -11.060 9.441 335 HD13 LEU 47 3HD1 LEU 47 -5.920 -10.260 9.031 336 HD21 LEU 47 3HD2 LEU 47 -5.019 -7.371 9.775 337 HD22 LEU 47 1HD2 LEU 47 -5.982 -7.927 8.386 338 HD23 LEU 47 2HD2 LEU 47 -4.502 -7.001 8.115 339 H SER 48 H SER 48 0.570 -8.207 7.870 340 HA SER 48 HA SER 48 1.775 -7.113 10.384 341 HB2 SER 48 1HB SER 48 2.223 -9.432 10.404 342 HB3 SER 48 2HB SER 48 2.682 -9.436 8.693 343 HG SER 48 HG SER 48 4.453 -9.375 10.298 344 H LYS 49 H LYS 49 2.967 -5.416 10.176 345 HA LYS 49 HA LYS 49 3.535 -4.123 7.666 346 HB2 LYS 49 1HB LYS 49 3.163 -3.181 10.081 347 HB3 LYS 49 2HB LYS 49 4.884 -3.499 10.317 348 HG2 LYS 49 1HG LYS 49 5.363 -2.063 8.309 349 HG3 LYS 49 2HG LYS 49 3.624 -1.739 8.160 350 HD2 LYS 49 1HD LYS 49 5.302 -1.045 10.612 351 HD3 LYS 49 2HD LYS 49 4.929 0.080 9.295 352 HE2 LYS 49 1HE LYS 49 2.524 -0.151 9.721 353 HE3 LYS 49 2HE LYS 49 2.837 -1.311 11.021 354 HZ1 LYS 49 3HZ LYS 49 4.004 0.418 12.236 355 HZ2 LYS 49 1HZ LYS 49 2.491 0.932 11.890 356 HZ3 LYS 49 2HZ LYS 49 3.760 1.513 11.036 357 H GLY 50 H GLY 50 5.382 -6.269 9.762 358 HA2 GLY 50 1HA GLY 50 7.960 -6.018 8.467 359 HA3 GLY 50 2HA GLY 50 7.412 -7.333 9.516 360 H HIS 51 H HIS 51 5.201 -8.344 8.069 361 HA HIS 51 HA HIS 51 6.515 -9.801 5.933 362 HB2 HIS 51 1HB HIS 51 3.588 -9.594 6.668 363 HB3 HIS 51 2HB HIS 51 4.264 -10.731 5.504 364 HD1 HIS 51 1HD HIS 51 2.761 -11.966 7.904 365 HD2 HIS 51 2HD HIS 51 6.888 -11.140 7.814 366 HE1 HIS 51 1HE HIS 51 3.834 -13.481 9.651 367 H LEU 52 H LEU 52 4.325 -6.943 5.905 368 HA LEU 52 HA LEU 52 4.185 -6.777 3.051 369 HB2 LEU 52 1HB LEU 52 2.666 -5.509 4.485 370 HB3 LEU 52 2HB LEU 52 4.021 -4.613 5.182 371 HG LEU 52 HG LEU 52 4.520 -3.609 2.953 372 HD11 LEU 52 1HD1 LEU 52 1.963 -5.024 2.060 373 HD12 LEU 52 2HD1 LEU 52 3.606 -5.376 1.462 374 HD13 LEU 52 3HD1 LEU 52 2.882 -3.817 1.138 375 HD21 LEU 52 3HD2 LEU 52 2.720 -2.065 2.903 376 HD22 LEU 52 1HD2 LEU 52 2.969 -2.528 4.597 377 HD23 LEU 52 2HD2 LEU 52 1.620 -3.228 3.662 378 H LYS 53 H LYS 53 6.643 -5.440 5.367 379 HA LYS 53 HA LYS 53 8.267 -4.154 3.401 380 HB2 LYS 53 1HB LYS 53 8.682 -3.626 5.645 381 HB3 LYS 53 2HB LYS 53 8.693 -5.310 6.162 382 HG2 LYS 53 1HG LYS 53 10.814 -5.715 5.032 383 HG3 LYS 53 2HG LYS 53 10.850 -4.044 4.430 384 HD2 LYS 53 1HD LYS 53 11.116 -3.170 6.660 385 HD3 LYS 53 2HD LYS 53 10.681 -4.735 7.401 386 HE2 LYS 53 1HE LYS 53 12.614 -5.804 6.394 387 HE3 LYS 53 2HE LYS 53 13.084 -4.300 5.591 388 HZ1 LYS 53 3HZ LYS 53 12.994 -4.706 8.542 389 HZ2 LYS 53 1HZ LYS 53 13.417 -3.307 7.808 390 HZ3 LYS 53 2HZ LYS 53 14.354 -4.632 7.646 391 H VAL 54 H VAL 54 8.432 -7.541 4.660 392 HA VAL 54 HA VAL 54 10.489 -8.386 2.902 393 HB VAL 54 HB VAL 54 8.234 -10.006 4.135 394 HG11 VAL 54 1HG1 VAL 54 9.031 -11.328 2.296 395 HG12 VAL 54 2HG1 VAL 54 10.730 -10.893 2.620 396 HG13 VAL 54 3HG1 VAL 54 9.827 -11.955 3.736 397 HG21 VAL 54 3HG2 VAL 54 9.957 -10.678 5.724 398 HG22 VAL 54 1HG2 VAL 54 11.181 -9.718 4.853 399 HG23 VAL 54 2HG2 VAL 54 9.852 -8.914 5.707 400 H HIS 55 H HIS 55 6.939 -8.436 2.298 401 HA HIS 55 HA HIS 55 6.987 -9.557 -0.258 402 HB2 HIS 55 1HB HIS 55 4.887 -9.166 0.832 403 HB3 HIS 55 2HB HIS 55 5.189 -7.441 0.976 404 HD1 HIS 55 1HD HIS 55 4.127 -9.993 -1.684 405 HD2 HIS 55 2HD HIS 55 4.511 -5.858 -1.037 406 HE1 HIS 55 1HE HIS 55 3.038 -8.874 -3.682 407 H ILE 56 H ILE 56 7.464 -6.057 0.554 408 HA ILE 56 HA ILE 56 7.905 -5.332 -2.236 409 HB ILE 56 HB ILE 56 8.497 -3.862 0.348 410 HG12 ILE 56 1HG1 ILE 56 6.220 -3.427 -1.644 411 HG13 ILE 56 2HG1 ILE 56 6.054 -4.403 -0.190 412 HG21 ILE 56 1HG2 ILE 56 9.923 -3.032 -1.527 413 HG22 ILE 56 2HG2 ILE 56 8.477 -2.830 -2.533 414 HG23 ILE 56 3HG2 ILE 56 8.715 -1.838 -1.076 415 HD11 ILE 56 3HD1 ILE 56 6.645 -1.431 -0.229 416 HD12 ILE 56 1HD1 ILE 56 5.144 -2.241 0.251 417 HD13 ILE 56 2HD1 ILE 56 6.608 -2.462 1.227 418 H GLU 57 H GLU 57 10.073 -6.130 0.450 419 HA GLU 57 HA GLU 57 12.547 -5.556 -0.888 420 HB2 GLU 57 1HB GLU 57 11.828 -7.409 1.397 421 HB3 GLU 57 2HB GLU 57 13.478 -7.033 0.986 422 HG2 GLU 57 1HG GLU 57 11.569 -4.748 1.587 423 HG3 GLU 57 2HG GLU 57 12.174 -5.762 2.887 424 H ARG 58 H ARG 58 10.391 -8.172 -1.296 425 HA ARG 58 HA ARG 58 12.475 -9.734 -2.798 426 HB2 ARG 58 1HB ARG 58 11.482 -11.731 -2.237 427 HB3 ARG 58 2HB ARG 58 11.306 -10.761 -0.791 428 HG2 ARG 58 1HG ARG 58 8.921 -10.243 -1.569 429 HG3 ARG 58 2HG ARG 58 9.166 -11.514 -2.792 430 HD2 ARG 58 1HD ARG 58 9.727 -13.093 -0.911 431 HD3 ARG 58 2HD ARG 58 9.314 -11.787 0.223 432 HE ARG 58 HE ARG 58 7.162 -12.278 -1.644 433 HH11 ARG 58 2HH1 ARG 58 8.570 -13.708 1.228 434 HH12 ARG 58 1HH1 ARG 58 7.069 -14.449 1.705 435 HH21 ARG 58 2HH2 ARG 58 5.283 -13.282 -0.987 436 HH22 ARG 58 1HH2 ARG 58 5.266 -14.212 0.479 437 H VAL 59 H VAL 59 9.092 -8.592 -3.123 438 HA VAL 59 HA VAL 59 9.011 -9.698 -5.813 439 HB VAL 59 HB VAL 59 6.881 -8.039 -4.407 440 HG11 VAL 59 1HG1 VAL 59 6.722 -9.818 -6.875 441 HG12 VAL 59 2HG1 VAL 59 5.345 -9.047 -6.060 442 HG13 VAL 59 3HG1 VAL 59 6.562 -8.048 -6.847 443 HG21 VAL 59 3HG2 VAL 59 7.213 -10.098 -3.156 444 HG22 VAL 59 1HG2 VAL 59 5.741 -10.258 -4.103 445 HG23 VAL 59 2HG2 VAL 59 7.228 -11.062 -4.654 446 H HIS 60 H HIS 60 8.935 -6.434 -4.351 447 HA HIS 60 HA HIS 60 9.224 -5.168 -7.008 448 HB2 HIS 60 1HB HIS 60 8.397 -3.910 -4.413 449 HB3 HIS 60 2HB HIS 60 8.276 -3.214 -6.028 450 HD1 HIS 60 1HD HIS 60 6.501 -4.760 -7.721 451 HD2 HIS 60 2HD HIS 60 6.287 -5.090 -3.539 452 HE1 HIS 60 1HE HIS 60 4.199 -5.724 -7.215 453 H LYS 61 H LYS 61 11.422 -6.374 -5.318 454 HA LYS 61 HA LYS 61 13.274 -4.172 -4.832 455 HB2 LYS 61 1HB LYS 61 13.296 -6.294 -3.580 456 HB3 LYS 61 2HB LYS 61 13.673 -7.186 -5.042 457 HG2 LYS 61 1HG LYS 61 15.644 -6.916 -3.639 458 HG3 LYS 61 2HG LYS 61 15.880 -6.148 -5.197 459 HD2 LYS 61 1HD LYS 61 16.817 -4.862 -3.286 460 HD3 LYS 61 2HD LYS 61 15.638 -3.917 -4.199 461 HE2 LYS 61 1HE LYS 61 13.909 -4.338 -2.548 462 HE3 LYS 61 2HE LYS 61 14.955 -5.478 -1.685 463 HZ1 LYS 61 3HZ LYS 61 15.408 -2.535 -1.905 464 HZ2 LYS 61 1HZ LYS 61 16.465 -3.577 -1.247 465 HZ3 LYS 61 2HZ LYS 61 14.982 -3.411 -0.554 466 H LYS 62 H LYS 62 15.181 -3.772 -5.992 467 HA LYS 62 HA LYS 62 16.234 -3.010 -7.796 468 HB2 LYS 62 1HB LYS 62 16.870 -5.477 -7.673 469 HB3 LYS 62 2HB LYS 62 15.826 -5.726 -9.075 470 HG2 LYS 62 1HG LYS 62 17.210 -4.062 -10.352 471 HG3 LYS 62 2HG LYS 62 18.216 -3.823 -8.913 472 HD2 LYS 62 1HD LYS 62 18.875 -6.215 -8.972 473 HD3 LYS 62 2HD LYS 62 17.859 -6.458 -10.412 474 HE2 LYS 62 1HE LYS 62 19.209 -4.771 -11.642 475 HE3 LYS 62 2HE LYS 62 20.218 -4.528 -10.211 476 HZ1 LYS 62 3HZ LYS 62 21.251 -6.081 -11.766 477 HZ2 LYS 62 1HZ LYS 62 19.970 -7.088 -11.702 478 HZ3 LYS 62 2HZ LYS 62 20.902 -6.863 -10.380 479 H ILE 63 H ILE 63 13.936 -1.949 -7.766 480 HA ILE 63 HA ILE 63 12.794 -1.978 -10.522 481 HB ILE 63 HB ILE 63 11.299 -2.701 -8.611 482 HG12 ILE 63 1HG1 ILE 63 10.322 -0.328 -10.249 483 HG13 ILE 63 2HG1 ILE 63 10.537 -1.965 -10.874 484 HG21 ILE 63 1HG2 ILE 63 10.307 -1.035 -7.162 485 HG22 ILE 63 2HG2 ILE 63 12.054 -0.920 -6.986 486 HG23 ILE 63 3HG2 ILE 63 11.182 0.282 -7.964 487 HD11 ILE 63 3HD1 ILE 63 8.884 -2.801 -9.185 488 HD12 ILE 63 1HD1 ILE 63 8.591 -1.114 -8.694 489 HD13 ILE 63 2HD1 ILE 63 8.207 -1.636 -10.339 490 H LYS 64 H LYS 64 12.304 0.019 -11.525 491 HA LYS 64 HA LYS 64 14.142 2.203 -10.801 492 HB2 LYS 64 1HB LYS 64 12.277 1.870 -13.178 493 HB3 LYS 64 2HB LYS 64 13.453 3.169 -12.968 494 HG2 LYS 64 1HG LYS 64 14.113 0.196 -13.212 495 HG3 LYS 64 2HG LYS 64 14.257 1.405 -14.489 496 HD2 LYS 64 1HD LYS 64 15.963 2.630 -13.156 497 HD3 LYS 64 2HD LYS 64 15.859 1.389 -11.886 498 HE2 LYS 64 1HE LYS 64 16.555 -0.349 -13.472 499 HE3 LYS 64 2HE LYS 64 16.616 0.836 -14.785 500 HZ1 LYS 64 3HZ LYS 64 18.818 0.413 -13.788 501 HZ2 LYS 64 1HZ LYS 64 18.307 0.967 -12.335 502 HZ3 LYS 64 2HZ LYS 64 18.396 1.979 -13.613 503 H GLN 65 H GLN 65 13.279 2.753 -8.866 504 HA GLN 65 HA GLN 65 10.742 4.180 -8.548 505 HB2 GLN 65 1HB GLN 65 13.169 3.500 -6.921 506 HB3 GLN 65 2HB GLN 65 12.465 5.053 -6.540 507 HG2 GLN 65 1HG GLN 65 10.909 2.446 -6.603 508 HG3 GLN 65 2HG GLN 65 11.605 3.178 -5.157 509 HE21 GLN 65 1HE2 GLN 65 9.062 2.844 -4.723 510 HE22 GLN 65 2HE2 GLN 65 8.119 4.298 -5.040 511 H HIS 66 H HIS 66 10.775 6.561 -7.899 512 HA HIS 66 HA HIS 66 13.017 8.084 -9.025 513 HB2 HIS 66 1HB HIS 66 11.765 9.514 -10.444 514 HB3 HIS 66 2HB HIS 66 11.449 7.858 -10.933 515 HD1 HIS 66 1HD HIS 66 8.900 6.936 -10.387 516 HD2 HIS 66 2HD HIS 66 9.715 10.987 -9.594 517 HE1 HIS 66 1HE HIS 66 6.639 8.069 -10.063 518 H CYS 67 H CYS 67 13.336 10.100 -8.307 519 HA CYS 67 HA CYS 67 12.129 10.960 -5.776 520 HB2 CYS 67 1HB CYS 67 14.537 11.080 -6.210 521 HB3 CYS 67 2HB CYS 67 14.252 12.067 -7.650 522 H ARG 68 H ARG 68 10.461 12.330 -5.603 523 HA ARG 68 HA ARG 68 9.255 13.511 -8.009 524 HB2 ARG 68 1HB ARG 68 7.410 14.125 -6.733 525 HB3 ARG 68 2HB ARG 68 7.854 12.511 -6.235 526 HG2 ARG 68 1HG ARG 68 8.385 15.106 -4.704 527 HG3 ARG 68 2HG ARG 68 7.115 13.941 -4.369 528 HD2 ARG 68 1HD ARG 68 10.101 13.505 -4.014 529 HD3 ARG 68 2HD ARG 68 8.883 13.731 -2.764 530 HE ARG 68 HE ARG 68 8.471 11.427 -4.584 531 HH11 ARG 68 2HH1 ARG 68 9.464 12.431 -1.384 532 HH12 ARG 68 1HH1 ARG 68 9.355 10.812 -0.748 533 HH21 ARG 68 2HH2 ARG 68 8.434 9.385 -3.735 534 HH22 ARG 68 1HH2 ARG 68 8.791 9.139 -2.052 535 H PHE 69 H PHE 69 11.633 14.610 -5.840 536 HA PHE 69 HA PHE 69 10.935 17.460 -6.103 537 HB2 PHE 69 1HB PHE 69 13.340 16.143 -4.832 538 HB3 PHE 69 2HB PHE 69 12.854 17.815 -4.651 539 HD1 PHE 69 2HD PHE 69 10.336 18.140 -3.719 540 HD2 PHE 69 1HD PHE 69 12.788 14.642 -3.118 541 HE1 PHE 69 2HE PHE 69 9.033 17.570 -1.681 542 HE2 PHE 69 1HE PHE 69 11.516 14.102 -1.059 543 HZ PHE 69 HZ PHE 69 9.629 15.562 -0.341 544 H CYS 70 H CYS 70 13.383 15.243 -7.445 545 HA CYS 70 HA CYS 70 14.206 17.366 -9.370 546 HB2 CYS 70 1HB CYS 70 16.505 16.757 -9.170 547 HB3 CYS 70 2HB CYS 70 15.859 17.241 -7.605 548 H LYS 71 H LYS 71 12.691 14.494 -9.298 549 HA LYS 71 HA LYS 71 12.125 12.931 -10.827 550 HB2 LYS 71 1HB LYS 71 12.929 15.161 -12.703 551 HB3 LYS 71 2HB LYS 71 12.277 13.638 -13.275 552 HG2 LYS 71 1HG LYS 71 10.528 15.252 -13.161 553 HG3 LYS 71 2HG LYS 71 10.214 13.939 -12.026 554 HD2 LYS 71 1HD LYS 71 10.782 15.358 -10.132 555 HD3 LYS 71 2HD LYS 71 11.340 16.657 -11.219 556 HE2 LYS 71 1HE LYS 71 9.040 16.859 -12.128 557 HE3 LYS 71 2HE LYS 71 8.501 15.540 -11.083 558 HZ1 LYS 71 3HZ LYS 71 9.057 16.916 -9.150 559 HZ2 LYS 71 1HZ LYS 71 7.988 17.701 -10.107 560 HZ3 LYS 71 2HZ LYS 71 9.559 18.144 -10.115 561 H LYS 72 H LYS 72 14.963 12.973 -9.811 562 HA LYS 72 HA LYS 72 16.503 11.434 -11.730 563 HB2 LYS 72 1HB LYS 72 17.389 12.837 -9.766 564 HB3 LYS 72 2HB LYS 72 16.829 11.564 -8.701 565 HG2 LYS 72 1HG LYS 72 18.320 9.940 -9.747 566 HG3 LYS 72 2HG LYS 72 18.758 11.087 -11.026 567 HD2 LYS 72 1HD LYS 72 19.895 12.536 -9.438 568 HD3 LYS 72 2HD LYS 72 19.330 11.561 -8.070 569 HE2 LYS 72 1HE LYS 72 20.539 9.576 -9.065 570 HE3 LYS 72 2HE LYS 72 21.214 10.656 -10.296 571 HZ1 LYS 72 3HZ LYS 72 21.611 10.899 -7.364 572 HZ2 LYS 72 1HZ LYS 72 22.242 11.936 -8.471 573 HZ3 LYS 72 2HZ LYS 72 22.739 10.380 -8.427 574 H LYS 73 H LYS 73 16.636 9.230 -11.982 575 HA LYS 73 HA LYS 73 14.633 7.546 -10.587 576 HB2 LYS 73 1HB LYS 73 16.320 7.095 -13.060 577 HB3 LYS 73 2HB LYS 73 15.453 5.779 -12.249 578 HG2 LYS 73 1HG LYS 73 13.319 6.970 -12.468 579 HG3 LYS 73 2HG LYS 73 14.134 8.331 -13.256 580 HD2 LYS 73 1HD LYS 73 14.807 6.871 -15.131 581 HD3 LYS 73 2HD LYS 73 14.063 5.469 -14.323 582 HE2 LYS 73 1HE LYS 73 11.858 6.589 -14.389 583 HE3 LYS 73 2HE LYS 73 12.583 8.003 -15.165 584 HZ1 LYS 73 3HZ LYS 73 12.493 5.275 -16.350 585 HZ2 LYS 73 1HZ LYS 73 13.166 6.584 -17.062 586 HZ3 LYS 73 2HZ LYS 73 11.557 6.532 -16.803 587 H TYR 74 H TYR 74 15.023 5.744 -9.473 588 HA TYR 74 HA TYR 74 17.786 5.244 -8.442 589 HB2 TYR 74 1HB TYR 74 15.280 6.013 -6.930 590 HB3 TYR 74 2HB TYR 74 16.430 4.905 -6.191 591 HD1 TYR 74 1HD TYR 74 16.074 8.383 -7.553 592 HD2 TYR 74 2HD TYR 74 18.545 5.580 -5.406 593 HE1 TYR 74 1HE TYR 74 17.790 10.160 -7.213 594 HE2 TYR 74 2HE TYR 74 20.268 7.348 -5.070 595 HH TYR 74 HH TYR 74 20.912 9.447 -5.552 596 H SER 75 H SER 75 18.331 3.138 -8.264 597 HA SER 75 HA SER 75 16.417 1.165 -9.319 598 HB2 SER 75 1HB SER 75 19.353 0.850 -8.629 599 HB3 SER 75 2HB SER 75 18.331 -0.336 -9.461 600 HG SER 75 HG SER 75 19.146 2.234 -10.356 601 H ASP 76 H ASP 76 17.061 2.182 -6.216 602 HA ASP 76 HA ASP 76 15.598 -0.120 -5.139 603 HB2 ASP 76 1HB ASP 76 18.194 -0.353 -4.691 604 HB3 ASP 76 2HB ASP 76 17.947 0.935 -3.529 605 H VAL 77 H VAL 77 14.176 0.538 -3.505 606 HA VAL 77 HA VAL 77 13.592 3.363 -3.219 607 HB VAL 77 HB VAL 77 11.899 1.575 -2.958 608 HG11 VAL 77 1HG1 VAL 77 11.634 0.337 -0.896 609 HG12 VAL 77 2HG1 VAL 77 13.214 -0.056 -1.586 610 HG13 VAL 77 3HG1 VAL 77 13.093 1.058 -0.201 611 HG21 VAL 77 3HG2 VAL 77 11.526 3.860 -2.093 612 HG22 VAL 77 1HG2 VAL 77 10.689 2.636 -1.123 613 HG23 VAL 77 2HG2 VAL 77 12.186 3.371 -0.516 614 H LYS 78 H LYS 78 15.547 1.041 -1.353 615 HA LYS 78 HA LYS 78 16.048 2.557 0.982 616 HB2 LYS 78 1HB LYS 78 17.875 0.700 -0.620 617 HB3 LYS 78 2HB LYS 78 18.314 1.340 0.956 618 HG2 LYS 78 1HG LYS 78 15.859 -0.391 0.444 619 HG3 LYS 78 2HG LYS 78 17.427 -0.975 1.010 620 HD2 LYS 78 1HD LYS 78 17.221 0.635 2.977 621 HD3 LYS 78 2HD LYS 78 15.541 0.909 2.499 622 HE2 LYS 78 1HE LYS 78 16.778 -1.812 3.129 623 HE3 LYS 78 2HE LYS 78 15.887 -0.837 4.301 624 HZ1 LYS 78 3HZ LYS 78 14.706 -1.814 1.756 625 HZ2 LYS 78 1HZ LYS 78 13.903 -1.077 2.987 626 HZ3 LYS 78 2HZ LYS 78 14.548 -2.588 3.153 627 H ASN 79 H ASN 79 17.788 2.799 -2.143 628 HA ASN 79 HA ASN 79 19.468 4.944 -1.071 629 HB2 ASN 79 1HB ASN 79 19.207 3.645 -3.811 630 HB3 ASN 79 2HB ASN 79 20.261 5.030 -3.522 631 HD21 ASN 79 1HD2 ASN 79 21.001 2.249 -4.297 632 HD22 ASN 79 2HD2 ASN 79 22.133 1.764 -3.047 633 H LEU 80 H LEU 80 16.390 4.892 -2.769 634 HA LEU 80 HA LEU 80 16.403 7.670 -3.517 635 HB2 LEU 80 1HB LEU 80 14.744 6.030 -4.370 636 HB3 LEU 80 2HB LEU 80 14.118 5.835 -2.729 637 HG LEU 80 HG LEU 80 13.416 8.210 -2.686 638 HD11 LEU 80 1HD1 LEU 80 15.012 9.157 -4.323 639 HD12 LEU 80 2HD1 LEU 80 13.343 9.490 -4.762 640 HD13 LEU 80 3HD1 LEU 80 14.239 8.213 -5.619 641 HD21 LEU 80 3HD2 LEU 80 11.513 7.986 -4.164 642 HD22 LEU 80 1HD2 LEU 80 11.849 6.426 -3.392 643 HD23 LEU 80 2HD2 LEU 80 12.325 6.709 -5.083 644 H ILE 81 H ILE 81 15.372 5.982 -0.480 645 HA ILE 81 HA ILE 81 14.548 8.324 0.915 646 HB ILE 81 HB ILE 81 15.891 5.933 2.213 647 HG12 ILE 81 1HG1 ILE 81 14.272 4.914 0.906 648 HG13 ILE 81 2HG1 ILE 81 13.645 4.969 2.511 649 HG21 ILE 81 1HG2 ILE 81 15.556 7.810 3.716 650 HG22 ILE 81 2HG2 ILE 81 13.861 7.972 3.201 651 HG23 ILE 81 3HG2 ILE 81 14.394 6.538 4.111 652 HD11 ILE 81 3HD1 ILE 81 12.788 6.783 0.218 653 HD12 ILE 81 1HD1 ILE 81 11.859 5.459 0.941 654 HD13 ILE 81 2HD1 ILE 81 12.196 6.919 1.892 655 H LYS 82 H LYS 82 17.730 6.716 0.845 656 HA LYS 82 HA LYS 82 19.175 8.511 2.479 657 HB2 LYS 82 1HB LYS 82 19.863 6.248 1.673 658 HB3 LYS 82 2HB LYS 82 20.072 6.894 0.044 659 HG2 LYS 82 1HG LYS 82 21.869 8.421 0.942 660 HG3 LYS 82 2HG LYS 82 21.738 7.582 2.498 661 HD2 LYS 82 1HD LYS 82 22.380 6.277 -0.193 662 HD3 LYS 82 2HD LYS 82 23.585 6.725 1.018 663 HE2 LYS 82 1HE LYS 82 22.757 5.114 2.601 664 HE3 LYS 82 2HE LYS 82 21.309 4.797 1.639 665 HZ1 LYS 82 3HZ LYS 82 24.047 4.162 0.701 666 HZ2 LYS 82 1HZ LYS 82 22.635 3.780 -0.056 667 HZ3 LYS 82 2HZ LYS 82 23.024 3.076 1.363 668 H HIS 83 H HIS 83 18.675 8.670 -1.074 669 HA HIS 83 HA HIS 83 20.048 11.134 -1.559 670 HB2 HIS 83 1HB HIS 83 19.463 9.717 -3.379 671 HB3 HIS 83 2HB HIS 83 17.771 9.649 -2.915 672 HD1 HIS 83 1HD HIS 83 20.235 12.181 -4.458 673 HD2 HIS 83 2HD HIS 83 16.141 11.434 -3.877 674 HE1 HIS 83 1HE HIS 83 19.023 13.911 -5.861 675 H ILE 84 H ILE 84 16.579 10.613 -0.692 676 HA ILE 84 HA ILE 84 15.932 13.414 -0.708 677 HB ILE 84 HB ILE 84 14.707 10.997 0.622 678 HG12 ILE 84 1HG1 ILE 84 13.590 12.707 -1.633 679 HG13 ILE 84 2HG1 ILE 84 14.690 11.370 -1.943 680 HG21 ILE 84 1HG2 ILE 84 13.606 13.848 0.618 681 HG22 ILE 84 2HG2 ILE 84 12.691 12.407 1.104 682 HG23 ILE 84 3HG2 ILE 84 14.085 12.905 2.045 683 HD11 ILE 84 3HD1 ILE 84 11.983 11.127 -0.596 684 HD12 ILE 84 1HD1 ILE 84 12.443 10.573 -2.218 685 HD13 ILE 84 2HD1 ILE 84 13.162 9.808 -0.780 686 H ARG 85 H ARG 85 17.053 11.298 1.945 687 HA ARG 85 HA ARG 85 17.144 13.328 3.982 688 HB2 ARG 85 1HB ARG 85 18.722 10.741 3.640 689 HB3 ARG 85 2HB ARG 85 18.780 11.759 5.085 690 HG2 ARG 85 1HG ARG 85 16.377 11.484 5.433 691 HG3 ARG 85 2HG ARG 85 16.235 10.493 3.990 692 HD2 ARG 85 1HD ARG 85 16.289 9.023 5.907 693 HD3 ARG 85 2HD ARG 85 17.757 8.807 4.965 694 HE ARG 85 HE ARG 85 19.035 9.616 6.724 695 HH11 ARG 85 2HH1 ARG 85 15.690 10.311 7.522 696 HH12 ARG 85 1HH1 ARG 85 16.091 10.796 9.146 697 HH21 ARG 85 2HH2 ARG 85 19.466 10.255 8.799 698 HH22 ARG 85 1HH2 ARG 85 18.171 10.761 9.843 699 H ASP 86 H ASP 86 19.385 12.745 1.390 700 HA ASP 86 HA ASP 86 21.476 14.464 2.624 701 HB2 ASP 86 1HB ASP 86 21.399 12.749 0.121 702 HB3 ASP 86 2HB ASP 86 22.723 13.844 0.495 703 H ALA 87 H ALA 87 19.373 14.527 -0.275 704 HA ALA 87 HA ALA 87 20.438 17.202 -1.006 705 HB1 ALA 87 1HB ALA 87 19.542 16.664 -3.214 706 HB2 ALA 87 2HB ALA 87 20.565 15.338 -2.624 707 HB3 ALA 87 3HB ALA 87 18.793 15.183 -2.582 708 H HIS 88 H HIS 88 17.434 15.737 0.122 709 HA HIS 88 HA HIS 88 15.970 18.305 -0.302 710 HB2 HIS 88 1HB HIS 88 14.860 15.498 -0.535 711 HB3 HIS 88 2HB HIS 88 14.036 17.006 -0.885 712 HD1 HIS 88 1HD HIS 88 15.716 18.449 -2.966 713 HD2 HIS 88 2HD HIS 88 15.439 14.268 -2.688 714 HE1 HIS 88 1HE HIS 88 16.329 17.562 -5.270 715 H ASP 89 H ASP 89 17.379 17.321 2.127 716 HA ASP 89 HA ASP 89 15.810 16.138 3.994 717 HB2 ASP 89 1HB ASP 89 17.292 16.932 5.675 718 HB3 ASP 89 2HB ASP 89 18.206 16.582 4.217 719 HA PRO 90 HA PRO 90 12.550 18.929 4.825 720 HB2 PRO 90 1HB PRO 90 11.366 17.815 7.023 721 HB3 PRO 90 2HB PRO 90 11.369 17.045 5.406 722 HG2 PRO 90 1HG PRO 90 13.248 16.507 7.730 723 HG3 PRO 90 2HG PRO 90 12.365 15.314 6.723 724 HD2 PRO 90 1HD PRO 90 14.969 15.960 6.230 725 HD3 PRO 90 2HD PRO 90 13.828 15.641 4.890 726 H GLN 91 H GLN 91 11.910 20.721 5.942 727 HA GLN 91 HA GLN 91 12.916 21.319 8.639 728 HB2 GLN 91 1HB GLN 91 14.568 22.404 7.270 729 HB3 GLN 91 2HB GLN 91 13.355 22.970 6.128 730 HG2 GLN 91 1HG GLN 91 14.137 24.824 7.415 731 HG3 GLN 91 2HG GLN 91 12.446 24.528 7.771 732 HE21 GLN 91 1HE2 GLN 91 13.416 26.094 9.608 733 HE22 GLN 91 2HE2 GLN 91 13.914 25.234 11.059 734 H ASP 92 H ASP 92 11.361 22.204 9.861 735 HA ASP 92 HA ASP 92 9.030 23.622 8.717 736 HB2 ASP 92 1HB ASP 92 8.344 21.257 8.759 737 HB3 ASP 92 2HB ASP 92 8.774 21.142 10.461 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 22.604 -35.398 4.880 2 H2 GLY 1 2H GLY 1 21.889 -34.873 3.501 3 H3 GLY 1 3H GLY 1 22.106 -36.478 3.754 4 HA2 GLY 1 1HA GLY 1 20.341 -34.728 5.338 5 HA3 GLY 1 2HA GLY 1 19.799 -35.883 4.107 6 H SER 2 H SER 2 19.416 -35.637 7.133 7 HA SER 2 HA SER 2 20.084 -38.451 7.890 8 HB2 SER 2 1HB SER 2 20.523 -35.995 9.631 9 HB3 SER 2 2HB SER 2 20.729 -37.681 10.134 10 HG SER 2 HG SER 2 22.719 -36.698 9.527 11 H SER 3 H SER 3 18.742 -39.386 9.471 12 HA SER 3 HA SER 3 15.977 -38.633 9.427 13 HB2 SER 3 1HB SER 3 17.416 -40.595 11.253 14 HB3 SER 3 2HB SER 3 15.668 -40.509 10.971 15 HG SER 3 HG SER 3 16.687 -42.110 9.665 16 H GLY 4 H GLY 4 14.579 -38.085 11.181 17 HA2 GLY 4 1HA GLY 4 15.444 -37.325 13.802 18 HA3 GLY 4 2HA GLY 4 15.329 -35.892 12.779 19 H SER 5 H SER 5 13.766 -35.684 14.788 20 HA SER 5 HA SER 5 11.217 -36.955 14.763 21 HB2 SER 5 1HB SER 5 12.001 -34.262 15.933 22 HB3 SER 5 2HB SER 5 10.557 -35.206 16.348 23 HG SER 5 HG SER 5 12.273 -35.545 17.842 24 H SER 6 H SER 6 9.135 -36.112 14.318 25 HA SER 6 HA SER 6 8.838 -33.812 12.486 26 HB2 SER 6 1HB SER 6 9.365 -35.897 11.122 27 HB3 SER 6 2HB SER 6 7.823 -36.564 11.691 28 HG SER 6 HG SER 6 7.685 -35.451 9.649 29 H GLY 7 H GLY 7 6.408 -33.726 11.824 30 HA2 GLY 7 1HA GLY 7 4.123 -33.782 12.438 31 HA3 GLY 7 2HA GLY 7 4.528 -34.354 14.051 32 H LYS 8 H LYS 8 2.781 -32.211 13.266 33 HA LYS 8 HA LYS 8 4.024 -29.707 14.234 34 HB2 LYS 8 1HB LYS 8 1.788 -30.263 12.262 35 HB3 LYS 8 2HB LYS 8 2.286 -28.652 12.771 36 HG2 LYS 8 1HG LYS 8 4.523 -28.985 11.810 37 HG3 LYS 8 2HG LYS 8 4.120 -30.646 11.375 38 HD2 LYS 8 1HD LYS 8 2.330 -29.826 9.863 39 HD3 LYS 8 2HD LYS 8 2.721 -28.151 10.306 40 HE2 LYS 8 1HE LYS 8 5.030 -28.467 9.430 41 HE3 LYS 8 2HE LYS 8 4.634 -30.131 8.986 42 HZ1 LYS 8 3HZ LYS 8 4.412 -28.631 7.089 43 HZ2 LYS 8 1HZ LYS 8 3.311 -27.714 7.869 44 HZ3 LYS 8 2HZ LYS 8 2.950 -29.254 7.455 45 HA PRO 9 HA PRO 9 0.790 -30.980 17.360 46 HB2 PRO 9 1HB PRO 9 2.235 -30.267 19.624 47 HB3 PRO 9 2HB PRO 9 2.321 -31.830 18.776 48 HG2 PRO 9 1HG PRO 9 4.210 -29.525 18.493 49 HG3 PRO 9 2HG PRO 9 4.593 -31.257 18.724 50 HD2 PRO 9 1HD PRO 9 4.573 -30.119 16.256 51 HD3 PRO 9 2HD PRO 9 4.013 -31.774 16.494 52 H TYR 10 H TYR 10 2.632 -27.938 17.143 53 HA TYR 10 HA TYR 10 0.777 -26.514 18.871 54 HB2 TYR 10 1HB TYR 10 3.042 -25.521 17.108 55 HB3 TYR 10 2HB TYR 10 2.156 -24.545 18.259 56 HD1 TYR 10 2HD TYR 10 4.537 -27.376 17.909 57 HD2 TYR 10 1HD TYR 10 2.526 -24.730 20.662 58 HE1 TYR 10 2HE TYR 10 6.097 -28.067 19.698 59 HE2 TYR 10 1HE TYR 10 4.064 -25.472 22.479 60 HH TYR 10 HH TYR 10 6.694 -27.837 21.910 61 H LYS 11 H LYS 11 -1.239 -26.084 18.190 62 HA LYS 11 HA LYS 11 -1.826 -25.568 15.311 63 HB2 LYS 11 1HB LYS 11 -3.818 -26.085 17.539 64 HB3 LYS 11 2HB LYS 11 -4.091 -26.164 15.805 65 HG2 LYS 11 1HG LYS 11 -2.506 -28.114 17.514 66 HG3 LYS 11 2HG LYS 11 -4.069 -28.374 16.750 67 HD2 LYS 11 1HD LYS 11 -3.004 -28.207 14.500 68 HD3 LYS 11 2HD LYS 11 -1.437 -27.936 15.278 69 HE2 LYS 11 1HE LYS 11 -1.484 -30.221 14.648 70 HE3 LYS 11 2HE LYS 11 -1.608 -30.146 16.405 71 HZ1 LYS 11 3HZ LYS 11 -4.009 -30.542 16.183 72 HZ2 LYS 11 1HZ LYS 11 -3.187 -31.734 15.436 73 HZ3 LYS 11 2HZ LYS 11 -3.900 -30.565 14.549 74 H CYS 12 H CYS 12 -3.096 -23.855 14.585 75 HA CYS 12 HA CYS 12 -3.103 -21.415 16.165 76 HB2 CYS 12 1HB CYS 12 -2.597 -21.390 13.830 77 HB3 CYS 12 2HB CYS 12 -4.152 -22.140 13.428 78 HA PRO 13 HA PRO 13 -7.270 -22.221 17.756 79 HB2 PRO 13 1HB PRO 13 -7.705 -19.887 19.083 80 HB3 PRO 13 2HB PRO 13 -6.496 -21.085 19.636 81 HG2 PRO 13 1HG PRO 13 -6.033 -18.563 18.023 82 HG3 PRO 13 2HG PRO 13 -5.125 -19.150 19.450 83 HD2 PRO 13 1HD PRO 13 -4.333 -19.581 16.825 84 HD3 PRO 13 2HD PRO 13 -3.928 -20.694 18.162 85 H GLN 14 H GLN 14 -6.403 -19.936 15.315 86 HA GLN 14 HA GLN 14 -9.245 -19.094 14.895 87 HB2 GLN 14 1HB GLN 14 -6.731 -17.702 13.929 88 HB3 GLN 14 2HB GLN 14 -8.395 -17.145 13.814 89 HG2 GLN 14 1HG GLN 14 -8.270 -17.519 16.496 90 HG3 GLN 14 2HG GLN 14 -6.554 -17.285 16.181 91 HE21 GLN 14 1HE2 GLN 14 -6.598 -15.302 17.473 92 HE22 GLN 14 2HE2 GLN 14 -7.344 -13.853 16.813 93 H CYS 15 H CYS 15 -6.535 -20.726 13.282 94 HA CYS 15 HA CYS 15 -8.430 -21.399 11.100 95 HB2 CYS 15 1HB CYS 15 -6.964 -20.771 9.328 96 HB3 CYS 15 2HB CYS 15 -7.233 -19.372 10.356 97 H SER 16 H SER 16 -7.017 -22.870 9.438 98 HA SER 16 HA SER 16 -6.671 -25.348 10.901 99 HB2 SER 16 1HB SER 16 -6.368 -26.313 8.634 100 HB3 SER 16 2HB SER 16 -7.835 -25.339 8.796 101 HG SER 16 HG SER 16 -6.678 -24.867 6.860 102 H TYR 17 H TYR 17 -4.479 -22.910 10.559 103 HA TYR 17 HA TYR 17 -2.090 -24.136 9.688 104 HB2 TYR 17 1HB TYR 17 -2.379 -21.745 9.920 105 HB3 TYR 17 2HB TYR 17 -2.606 -21.885 11.652 106 HD1 TYR 17 1HD TYR 17 -0.180 -22.168 8.846 107 HD2 TYR 17 2HD TYR 17 -0.635 -22.094 13.140 108 HE1 TYR 17 1HE TYR 17 2.277 -21.874 9.106 109 HE2 TYR 17 2HE TYR 17 1.821 -21.765 13.391 110 HH TYR 17 HH TYR 17 4.007 -21.591 10.555 111 H ALA 18 H ALA 18 -0.381 -25.081 10.654 112 HA ALA 18 HA ALA 18 -0.268 -25.564 13.524 113 HB1 ALA 18 1HB ALA 18 -1.594 -27.497 12.655 114 HB2 ALA 18 2HB ALA 18 -0.268 -27.890 11.544 115 HB3 ALA 18 3HB ALA 18 -0.018 -27.996 13.298 116 H SER 19 H SER 19 1.876 -26.100 14.251 117 HA SER 19 HA SER 19 3.964 -26.608 12.228 118 HB2 SER 19 1HB SER 19 3.860 -24.101 12.515 119 HB3 SER 19 2HB SER 19 4.344 -24.334 14.205 120 HG SER 19 HG SER 19 5.760 -25.091 11.837 121 H ALA 20 H ALA 20 5.717 -27.763 12.970 122 HA ALA 20 HA ALA 20 5.885 -29.071 15.416 123 HB1 ALA 20 1HB ALA 20 8.145 -28.295 13.564 124 HB2 ALA 20 2HB ALA 20 8.102 -29.651 14.722 125 HB3 ALA 20 3HB ALA 20 7.030 -29.663 13.317 126 H ILE 21 H ILE 21 6.511 -25.713 14.990 127 HA ILE 21 HA ILE 21 8.214 -25.615 17.459 128 HB ILE 21 HB ILE 21 8.368 -23.911 14.959 129 HG12 ILE 21 1HG1 ILE 21 10.248 -26.071 16.023 130 HG13 ILE 21 2HG1 ILE 21 9.251 -26.178 14.571 131 HG21 ILE 21 1HG2 ILE 21 8.958 -22.618 16.971 132 HG22 ILE 21 2HG2 ILE 21 10.135 -23.866 17.446 133 HG23 ILE 21 3HG2 ILE 21 10.362 -22.885 15.978 134 HD11 ILE 21 3HD1 ILE 21 10.551 -24.273 13.575 135 HD12 ILE 21 1HD1 ILE 21 11.676 -24.404 14.953 136 HD13 ILE 21 2HD1 ILE 21 11.466 -25.768 13.851 137 H LYS 22 H LYS 22 7.584 -24.338 19.083 138 HA LYS 22 HA LYS 22 5.039 -23.045 19.169 139 HB2 LYS 22 1HB LYS 22 6.293 -23.976 21.090 140 HB3 LYS 22 2HB LYS 22 7.410 -22.604 21.011 141 HG2 LYS 22 1HG LYS 22 5.616 -21.033 21.512 142 HG3 LYS 22 2HG LYS 22 4.384 -22.275 21.250 143 HD2 LYS 22 1HD LYS 22 4.611 -21.903 23.603 144 HD3 LYS 22 2HD LYS 22 5.193 -23.525 23.202 145 HE2 LYS 22 1HE LYS 22 7.540 -22.711 23.291 146 HE3 LYS 22 2HE LYS 22 6.966 -21.077 23.649 147 HZ1 LYS 22 3HZ LYS 22 7.610 -22.255 25.673 148 HZ2 LYS 22 1HZ LYS 22 6.541 -23.453 25.386 149 HZ3 LYS 22 2HZ LYS 22 6.010 -21.944 25.719 150 H ALA 23 H ALA 23 8.287 -21.644 18.657 151 HA ALA 23 HA ALA 23 7.526 -18.916 18.543 152 HB1 ALA 23 1HB ALA 23 9.663 -18.594 17.393 153 HB2 ALA 23 2HB ALA 23 9.851 -19.728 18.743 154 HB3 ALA 23 3HB ALA 23 9.788 -20.334 17.070 155 H ASN 24 H ASN 24 7.350 -21.409 15.983 156 HA ASN 24 HA ASN 24 6.606 -19.576 13.865 157 HB2 ASN 24 1HB ASN 24 6.276 -22.584 14.243 158 HB3 ASN 24 2HB ASN 24 5.764 -21.737 12.806 159 HD21 ASN 24 1HD2 ASN 24 7.419 -23.725 12.432 160 HD22 ASN 24 2HD2 ASN 24 9.017 -23.120 11.978 161 H LEU 25 H LEU 25 4.692 -21.474 16.274 162 HA LEU 25 HA LEU 25 2.164 -20.523 15.267 163 HB2 LEU 25 1HB LEU 25 2.281 -22.469 16.719 164 HB3 LEU 25 2HB LEU 25 2.939 -21.495 18.037 165 HG LEU 25 HG LEU 25 0.847 -20.192 18.169 166 HD11 LEU 25 1HD1 LEU 25 0.027 -20.320 15.845 167 HD12 LEU 25 2HD1 LEU 25 -1.169 -20.951 16.969 168 HD13 LEU 25 3HD1 LEU 25 -0.188 -22.078 16.002 169 HD21 LEU 25 3HD2 LEU 25 -0.558 -21.918 19.116 170 HD22 LEU 25 1HD2 LEU 25 1.136 -22.273 19.498 171 HD23 LEU 25 2HD2 LEU 25 0.297 -23.177 18.212 172 H ASN 26 H ASN 26 4.313 -19.192 17.861 173 HA ASN 26 HA ASN 26 2.754 -16.950 18.557 174 HB2 ASN 26 1HB ASN 26 5.789 -17.024 18.193 175 HB3 ASN 26 2HB ASN 26 4.904 -15.817 19.100 176 HD21 ASN 26 1HD2 ASN 26 7.017 -17.201 20.064 177 HD22 ASN 26 2HD2 ASN 26 6.463 -18.176 21.434 178 H VAL 27 H VAL 27 5.141 -17.205 15.880 179 HA VAL 27 HA VAL 27 4.809 -14.496 15.053 180 HB VAL 27 HB VAL 27 6.674 -16.353 14.571 181 HG11 VAL 27 1HG1 VAL 27 5.314 -16.271 11.873 182 HG12 VAL 27 2HG1 VAL 27 6.910 -16.938 12.271 183 HG13 VAL 27 3HG1 VAL 27 5.473 -17.693 12.933 184 HG21 VAL 27 3HG2 VAL 27 5.940 -13.987 12.837 185 HG22 VAL 27 1HG2 VAL 27 6.873 -13.950 14.367 186 HG23 VAL 27 2HG2 VAL 27 7.571 -14.718 12.928 187 H HIS 28 H HIS 28 3.302 -17.462 13.994 188 HA HIS 28 HA HIS 28 1.925 -16.472 11.758 189 HB2 HIS 28 1HB HIS 28 2.228 -18.813 12.179 190 HB3 HIS 28 2HB HIS 28 1.365 -18.742 13.711 191 HD1 HIS 28 1HD HIS 28 0.537 -18.838 9.981 192 HD2 HIS 28 2HD HIS 28 -1.287 -18.719 13.759 193 HE1 HIS 28 1HE HIS 28 -1.956 -19.103 9.558 194 H LEU 29 H LEU 29 0.893 -16.533 15.186 195 HA LEU 29 HA LEU 29 -1.807 -15.733 14.845 196 HB2 LEU 29 1HB LEU 29 0.162 -15.224 17.097 197 HB3 LEU 29 2HB LEU 29 -1.559 -14.908 17.245 198 HG LEU 29 HG LEU 29 -0.490 -17.661 16.562 199 HD11 LEU 29 1HD1 LEU 29 -0.743 -18.225 18.947 200 HD12 LEU 29 2HD1 LEU 29 -1.177 -16.539 19.312 201 HD13 LEU 29 3HD1 LEU 29 0.454 -16.941 18.737 202 HD21 LEU 29 3HD2 LEU 29 -3.139 -16.729 17.714 203 HD22 LEU 29 1HD2 LEU 29 -2.619 -18.415 17.504 204 HD23 LEU 29 2HD2 LEU 29 -2.857 -17.396 16.082 205 H ARG 30 H ARG 30 1.053 -13.806 14.540 206 HA ARG 30 HA ARG 30 0.077 -11.213 15.122 207 HB2 ARG 30 1HB ARG 30 2.154 -12.052 13.051 208 HB3 ARG 30 2HB ARG 30 1.925 -10.413 13.648 209 HG2 ARG 30 1HG ARG 30 2.465 -11.127 15.950 210 HG3 ARG 30 2HG ARG 30 2.709 -12.790 15.386 211 HD2 ARG 30 1HD ARG 30 4.531 -12.031 13.899 212 HD3 ARG 30 2HD ARG 30 4.296 -10.364 14.467 213 HE ARG 30 HE ARG 30 4.699 -12.040 16.733 214 HH11 ARG 30 2HH1 ARG 30 6.599 -10.772 14.078 215 HH12 ARG 30 1HH1 ARG 30 8.082 -10.826 14.990 216 HH21 ARG 30 2HH2 ARG 30 6.627 -12.078 17.845 217 HH22 ARG 30 1HH2 ARG 30 8.089 -11.553 17.066 218 H LYS 31 H LYS 31 -0.489 -13.158 12.248 219 HA LYS 31 HA LYS 31 -1.594 -10.944 10.686 220 HB2 LYS 31 1HB LYS 31 -1.830 -12.425 8.958 221 HB3 LYS 31 2HB LYS 31 -0.440 -13.053 9.845 222 HG2 LYS 31 1HG LYS 31 -2.032 -14.758 10.908 223 HG3 LYS 31 2HG LYS 31 -3.298 -14.133 9.857 224 HD2 LYS 31 1HD LYS 31 -2.407 -16.111 8.836 225 HD3 LYS 31 2HD LYS 31 -1.946 -14.710 7.859 226 HE2 LYS 31 1HE LYS 31 0.314 -14.745 9.037 227 HE3 LYS 31 2HE LYS 31 -0.184 -16.238 9.835 228 HZ1 LYS 31 3HZ LYS 31 0.057 -15.831 6.889 229 HZ2 LYS 31 1HZ LYS 31 -0.423 -17.227 7.577 230 HZ3 LYS 31 2HZ LYS 31 1.104 -16.678 7.802 231 H HIS 32 H HIS 32 -2.874 -12.919 13.091 232 HA HIS 32 HA HIS 32 -5.703 -12.525 12.315 233 HB2 HIS 32 1HB HIS 32 -4.445 -14.019 14.643 234 HB3 HIS 32 2HB HIS 32 -6.157 -13.930 14.286 235 HD1 HIS 32 1HD HIS 32 -6.339 -14.618 11.270 236 HD2 HIS 32 2HD HIS 32 -3.747 -16.446 14.024 237 HE1 HIS 32 1HE HIS 32 -5.765 -16.874 10.272 238 H THR 33 H THR 33 -3.769 -10.325 13.337 239 HA THR 33 HA THR 33 -5.760 -8.830 14.888 240 HB THR 33 HB THR 33 -4.548 -9.958 16.634 241 HG1 THR 33 1HG THR 33 -3.937 -8.228 17.826 242 HG21 THR 33 3HG2 THR 33 -1.999 -8.764 15.505 243 HG22 THR 33 1HG2 THR 33 -2.427 -10.491 15.617 244 HG23 THR 33 2HG2 THR 33 -2.153 -9.556 17.092 245 H GLY 34 H GLY 34 -4.515 -6.605 15.428 246 HA2 GLY 34 1HA GLY 34 -3.250 -4.836 14.793 247 HA3 GLY 34 2HA GLY 34 -2.512 -5.821 13.535 248 H GLU 35 H GLU 35 -2.554 -4.272 11.891 249 HA GLU 35 HA GLU 35 -5.183 -3.279 10.899 250 HB2 GLU 35 1HB GLU 35 -3.949 -1.563 12.202 251 HB3 GLU 35 2HB GLU 35 -2.542 -1.798 11.169 252 HG2 GLU 35 1HG GLU 35 -3.692 0.218 10.577 253 HG3 GLU 35 2HG GLU 35 -3.773 -0.904 9.234 254 H LYS 36 H LYS 36 -5.389 -2.843 8.694 255 HA LYS 36 HA LYS 36 -3.774 -4.638 6.973 256 HB2 LYS 36 1HB LYS 36 -6.201 -2.902 6.396 257 HB3 LYS 36 2HB LYS 36 -5.293 -3.804 5.172 258 HG2 LYS 36 1HG LYS 36 -5.658 -5.897 6.574 259 HG3 LYS 36 2HG LYS 36 -6.813 -4.967 7.543 260 HD2 LYS 36 1HD LYS 36 -8.198 -4.549 5.568 261 HD3 LYS 36 2HD LYS 36 -6.973 -5.299 4.511 262 HE2 LYS 36 1HE LYS 36 -7.273 -7.460 5.603 263 HE3 LYS 36 2HE LYS 36 -8.421 -6.763 6.759 264 HZ1 LYS 36 3HZ LYS 36 -9.574 -7.880 4.936 265 HZ2 LYS 36 1HZ LYS 36 -8.857 -6.930 3.821 266 HZ3 LYS 36 2HZ LYS 36 -9.913 -6.285 4.889 267 H PHE 37 H PHE 37 -1.945 -4.106 6.460 268 HA PHE 37 HA PHE 37 -1.304 -1.388 5.412 269 HB2 PHE 37 1HB PHE 37 0.625 -3.672 5.862 270 HB3 PHE 37 2HB PHE 37 0.969 -1.953 5.636 271 HD1 PHE 37 2HD PHE 37 0.309 -0.304 7.465 272 HD2 PHE 37 1HD PHE 37 0.250 -4.577 8.016 273 HE1 PHE 37 2HE PHE 37 0.273 0.013 9.919 274 HE2 PHE 37 1HE PHE 37 0.219 -4.265 10.462 275 HZ PHE 37 HZ PHE 37 0.170 -1.970 11.437 276 H ALA 38 H ALA 38 -1.518 -1.087 3.319 277 HA ALA 38 HA ALA 38 -1.532 -3.326 1.384 278 HB1 ALA 38 1HB ALA 38 -2.451 -1.687 -0.169 279 HB2 ALA 38 2HB ALA 38 -3.362 -1.640 1.354 280 HB3 ALA 38 3HB ALA 38 -2.164 -0.376 0.992 281 H CYS 39 H CYS 39 -0.219 -3.508 -0.451 282 HA CYS 39 HA CYS 39 2.453 -2.419 -0.316 283 HB2 CYS 39 1HB CYS 39 1.889 -4.605 -1.137 284 HB3 CYS 39 2HB CYS 39 0.865 -3.933 -2.404 285 H ASP 40 H ASP 40 3.423 -0.887 -1.469 286 HA ASP 40 HA ASP 40 1.759 1.284 -2.567 287 HB2 ASP 40 1HB ASP 40 3.701 1.646 -0.994 288 HB3 ASP 40 2HB ASP 40 4.780 1.119 -2.285 289 H TYR 41 H TYR 41 3.029 -1.556 -3.797 290 HA TYR 41 HA TYR 41 3.568 -0.421 -6.527 291 HB2 TYR 41 1HB TYR 41 4.774 -2.837 -5.141 292 HB3 TYR 41 2HB TYR 41 5.085 -2.327 -6.785 293 HD1 TYR 41 2HD TYR 41 5.526 -1.605 -3.211 294 HD2 TYR 41 1HD TYR 41 6.580 -0.404 -7.210 295 HE1 TYR 41 2HE TYR 41 7.407 -0.218 -2.301 296 HE2 TYR 41 1HE TYR 41 8.475 0.941 -6.320 297 HH TYR 41 HH TYR 41 9.632 1.594 -4.445 298 H CYS 42 H CYS 42 1.817 -2.899 -4.741 299 HA CYS 42 HA CYS 42 0.213 -3.360 -7.178 300 HB2 CYS 42 1HB CYS 42 0.163 -5.777 -6.949 301 HB3 CYS 42 2HB CYS 42 1.803 -5.196 -7.250 302 H SER 43 H SER 43 -1.649 -5.052 -6.464 303 HA SER 43 HA SER 43 -3.291 -3.634 -4.526 304 HB2 SER 43 1HB SER 43 -5.012 -5.291 -5.214 305 HB3 SER 43 2HB SER 43 -4.284 -4.419 -6.571 306 HG SER 43 HG SER 43 -4.438 -6.689 -6.960 307 H PHE 44 H PHE 44 -0.852 -5.745 -3.893 308 HA PHE 44 HA PHE 44 -1.943 -7.694 -2.180 309 HB2 PHE 44 1HB PHE 44 0.294 -7.760 -2.989 310 HB3 PHE 44 2HB PHE 44 0.735 -6.292 -2.147 311 HD1 PHE 44 2HD PHE 44 0.010 -9.911 -1.766 312 HD2 PHE 44 1HD PHE 44 1.318 -6.311 0.211 313 HE1 PHE 44 2HE PHE 44 0.851 -11.259 0.146 314 HE2 PHE 44 1HE PHE 44 2.167 -7.662 2.117 315 HZ PHE 44 HZ PHE 44 1.937 -10.135 2.081 316 H THR 45 H THR 45 -2.175 -7.849 0.003 317 HA THR 45 HA THR 45 -1.777 -5.538 1.773 318 HB THR 45 HB THR 45 -3.971 -5.912 2.871 319 HG1 THR 45 1HG THR 45 -5.606 -6.899 1.611 320 HG21 THR 45 3HG2 THR 45 -3.636 -4.030 1.399 321 HG22 THR 45 1HG2 THR 45 -5.303 -4.614 1.281 322 HG23 THR 45 2HG2 THR 45 -4.137 -4.988 -0.016 323 H CYS 46 H CYS 46 -1.550 -6.016 3.914 324 HA CYS 46 HA CYS 46 -1.784 -8.803 4.841 325 HB2 CYS 46 1HB CYS 46 0.535 -8.521 3.818 326 HB3 CYS 46 2HB CYS 46 0.889 -7.355 5.106 327 HG CYS 46 HG CYS 46 -0.149 -10.516 5.376 328 H LEU 47 H LEU 47 -1.882 -9.028 7.087 329 HA LEU 47 HA LEU 47 -2.571 -6.622 8.631 330 HB2 LEU 47 1HB LEU 47 -2.734 -9.607 9.092 331 HB3 LEU 47 2HB LEU 47 -2.884 -8.496 10.428 332 HG LEU 47 HG LEU 47 -5.060 -9.164 9.728 333 HD11 LEU 47 1HD1 LEU 47 -6.172 -7.064 9.446 334 HD12 LEU 47 2HD1 LEU 47 -4.708 -6.300 8.805 335 HD13 LEU 47 3HD1 LEU 47 -4.773 -6.817 10.503 336 HD21 LEU 47 3HD2 LEU 47 -4.535 -7.973 6.983 337 HD22 LEU 47 1HD2 LEU 47 -6.036 -8.718 7.569 338 HD23 LEU 47 2HD2 LEU 47 -4.583 -9.711 7.362 339 H SER 48 H SER 48 0.305 -8.220 7.953 340 HA SER 48 HA SER 48 1.665 -7.117 10.394 341 HB2 SER 48 1HB SER 48 2.400 -9.563 8.738 342 HB3 SER 48 2HB SER 48 3.385 -8.860 10.034 343 HG SER 48 HG SER 48 0.739 -9.878 10.307 344 H LYS 49 H LYS 49 2.506 -5.284 9.879 345 HA LYS 49 HA LYS 49 3.386 -4.367 7.362 346 HB2 LYS 49 1HB LYS 49 4.843 -2.817 8.851 347 HB3 LYS 49 2HB LYS 49 3.086 -2.655 8.824 348 HG2 LYS 49 1HG LYS 49 2.945 -3.854 10.989 349 HG3 LYS 49 2HG LYS 49 4.712 -4.045 11.001 350 HD2 LYS 49 1HD LYS 49 5.009 -1.617 11.095 351 HD3 LYS 49 2HD LYS 49 3.261 -1.357 10.888 352 HE2 LYS 49 1HE LYS 49 2.808 -2.531 13.005 353 HE3 LYS 49 2HE LYS 49 4.537 -2.835 13.230 354 HZ1 LYS 49 3HZ LYS 49 3.811 -0.886 14.486 355 HZ2 LYS 49 1HZ LYS 49 3.282 -0.140 13.136 356 HZ3 LYS 49 2HZ LYS 49 4.878 -0.422 13.344 357 H GLY 50 H GLY 50 5.214 -6.217 9.764 358 HA2 GLY 50 1HA GLY 50 7.800 -5.970 8.551 359 HA3 GLY 50 2HA GLY 50 7.248 -7.258 9.621 360 H HIS 51 H HIS 51 5.105 -8.291 7.925 361 HA HIS 51 HA HIS 51 6.629 -9.782 5.932 362 HB2 HIS 51 1HB HIS 51 4.775 -10.821 7.175 363 HB3 HIS 51 2HB HIS 51 3.646 -9.660 6.462 364 HD1 HIS 51 1HD HIS 51 2.259 -11.073 4.790 365 HD2 HIS 51 2HD HIS 51 6.395 -11.797 4.631 366 HE1 HIS 51 1HE HIS 51 2.634 -12.645 2.811 367 H LEU 52 H LEU 52 4.318 -7.027 5.827 368 HA LEU 52 HA LEU 52 4.234 -6.784 2.993 369 HB2 LEU 52 1HB LEU 52 2.697 -5.570 4.446 370 HB3 LEU 52 2HB LEU 52 4.038 -4.689 5.183 371 HG LEU 52 HG LEU 52 4.540 -3.586 3.008 372 HD11 LEU 52 1HD1 LEU 52 1.971 -4.946 2.073 373 HD12 LEU 52 2HD1 LEU 52 3.607 -5.300 1.457 374 HD13 LEU 52 3HD1 LEU 52 2.905 -3.717 1.199 375 HD21 LEU 52 3HD2 LEU 52 1.651 -3.278 3.812 376 HD22 LEU 52 1HD2 LEU 52 2.693 -2.062 3.051 377 HD23 LEU 52 2HD2 LEU 52 3.018 -2.581 4.716 378 H LYS 53 H LYS 53 6.678 -5.500 5.334 379 HA LYS 53 HA LYS 53 8.298 -4.139 3.406 380 HB2 LYS 53 1HB LYS 53 8.655 -3.666 5.680 381 HB3 LYS 53 2HB LYS 53 8.714 -5.366 6.143 382 HG2 LYS 53 1HG LYS 53 10.862 -5.670 5.048 383 HG3 LYS 53 2HG LYS 53 10.845 -3.994 4.459 384 HD2 LYS 53 1HD LYS 53 11.024 -3.131 6.711 385 HD3 LYS 53 2HD LYS 53 10.681 -4.735 7.419 386 HE2 LYS 53 1HE LYS 53 12.677 -5.665 6.411 387 HE3 LYS 53 2HE LYS 53 13.053 -4.126 5.624 388 HZ1 LYS 53 3HZ LYS 53 14.344 -4.401 7.676 389 HZ2 LYS 53 1HZ LYS 53 12.991 -4.560 8.571 390 HZ3 LYS 53 2HZ LYS 53 13.330 -3.135 7.845 391 H VAL 54 H VAL 54 8.487 -7.537 4.614 392 HA VAL 54 HA VAL 54 10.586 -8.327 2.870 393 HB VAL 54 HB VAL 54 8.363 -9.989 4.111 394 HG11 VAL 54 1HG1 VAL 54 10.921 -10.895 2.712 395 HG12 VAL 54 2HG1 VAL 54 9.891 -11.935 3.726 396 HG13 VAL 54 3HG1 VAL 54 9.255 -11.259 2.227 397 HG21 VAL 54 3HG2 VAL 54 10.112 -10.615 5.704 398 HG22 VAL 54 1HG2 VAL 54 11.301 -9.616 4.830 399 HG23 VAL 54 2HG2 VAL 54 9.946 -8.854 5.681 400 H HIS 55 H HIS 55 7.049 -8.369 2.273 401 HA HIS 55 HA HIS 55 7.088 -9.539 -0.278 402 HB2 HIS 55 1HB HIS 55 4.996 -9.190 0.834 403 HB3 HIS 55 2HB HIS 55 5.280 -7.463 0.997 404 HD1 HIS 55 1HD HIS 55 4.231 -9.996 -1.685 405 HD2 HIS 55 2HD HIS 55 4.554 -5.860 -0.999 406 HE1 HIS 55 1HE HIS 55 3.125 -8.873 -3.672 407 H ILE 56 H ILE 56 7.551 -6.050 0.539 408 HA ILE 56 HA ILE 56 7.990 -5.320 -2.257 409 HB ILE 56 HB ILE 56 8.559 -3.857 0.336 410 HG12 ILE 56 1HG1 ILE 56 6.300 -3.405 -1.666 411 HG13 ILE 56 2HG1 ILE 56 6.120 -4.402 -0.230 412 HG21 ILE 56 1HG2 ILE 56 8.532 -2.801 -2.533 413 HG22 ILE 56 2HG2 ILE 56 8.800 -1.832 -1.068 414 HG23 ILE 56 3HG2 ILE 56 9.992 -3.035 -1.544 415 HD11 ILE 56 3HD1 ILE 56 5.207 -2.244 0.230 416 HD12 ILE 56 1HD1 ILE 56 6.656 -2.489 1.223 417 HD13 ILE 56 2HD1 ILE 56 6.721 -1.434 -0.212 418 H GLU 57 H GLU 57 10.149 -6.174 0.426 419 HA GLU 57 HA GLU 57 12.619 -5.640 -0.955 420 HB2 GLU 57 1HB GLU 57 11.960 -7.519 1.323 421 HB3 GLU 57 2HB GLU 57 13.588 -7.099 0.848 422 HG2 GLU 57 1HG GLU 57 11.798 -4.782 1.515 423 HG3 GLU 57 2HG GLU 57 12.232 -5.873 2.826 424 H ARG 58 H ARG 58 10.385 -8.194 -1.357 425 HA ARG 58 HA ARG 58 12.416 -9.848 -2.834 426 HB2 ARG 58 1HB ARG 58 11.316 -11.801 -2.309 427 HB3 ARG 58 2HB ARG 58 11.184 -10.837 -0.853 428 HG2 ARG 58 1HG ARG 58 8.845 -10.189 -1.624 429 HG3 ARG 58 2HG ARG 58 9.018 -11.440 -2.873 430 HD2 ARG 58 1HD ARG 58 9.388 -13.122 -1.067 431 HD3 ARG 58 2HD ARG 58 9.156 -11.835 0.129 432 HE ARG 58 HE ARG 58 7.021 -12.480 -1.871 433 HH11 ARG 58 2HH1 ARG 58 7.879 -12.488 1.535 434 HH12 ARG 58 1HH1 ARG 58 6.200 -12.562 2.029 435 HH21 ARG 58 2HH2 ARG 58 4.937 -12.760 -1.123 436 HH22 ARG 58 1HH2 ARG 58 4.641 -12.754 0.593 437 H VAL 59 H VAL 59 9.107 -8.536 -3.198 438 HA VAL 59 HA VAL 59 9.027 -9.608 -5.906 439 HB VAL 59 HB VAL 59 6.913 -7.929 -4.504 440 HG11 VAL 59 1HG1 VAL 59 6.641 -7.937 -6.961 441 HG12 VAL 59 2HG1 VAL 59 6.750 -9.709 -6.975 442 HG13 VAL 59 3HG1 VAL 59 5.382 -8.894 -6.187 443 HG21 VAL 59 3HG2 VAL 59 5.727 -10.136 -4.241 444 HG22 VAL 59 1HG2 VAL 59 7.222 -10.954 -4.744 445 HG23 VAL 59 2HG2 VAL 59 7.167 -9.982 -3.251 446 H HIS 60 H HIS 60 8.976 -6.371 -4.386 447 HA HIS 60 HA HIS 60 9.250 -5.066 -7.034 448 HB2 HIS 60 1HB HIS 60 8.378 -3.859 -4.421 449 HB3 HIS 60 2HB HIS 60 8.223 -3.154 -6.025 450 HD1 HIS 60 1HD HIS 60 6.483 -4.760 -7.716 451 HD2 HIS 60 2HD HIS 60 6.307 -5.063 -3.530 452 HE1 HIS 60 1HE HIS 60 4.203 -5.758 -7.188 453 H LYS 61 H LYS 61 11.475 -6.188 -5.319 454 HA LYS 61 HA LYS 61 13.096 -4.124 -4.255 455 HB2 LYS 61 1HB LYS 61 13.392 -6.390 -3.648 456 HB3 LYS 61 2HB LYS 61 13.643 -6.916 -5.302 457 HG2 LYS 61 1HG LYS 61 15.720 -6.946 -4.003 458 HG3 LYS 61 2HG LYS 61 15.828 -5.918 -5.419 459 HD2 LYS 61 1HD LYS 61 16.973 -4.990 -3.434 460 HD3 LYS 61 2HD LYS 61 15.731 -3.904 -4.062 461 HE2 LYS 61 1HE LYS 61 14.174 -4.557 -2.319 462 HE3 LYS 61 2HE LYS 61 15.262 -5.837 -1.756 463 HZ1 LYS 61 3HZ LYS 61 16.841 -4.115 -1.087 464 HZ2 LYS 61 1HZ LYS 61 15.391 -3.866 -0.367 465 HZ3 LYS 61 2HZ LYS 61 15.850 -2.922 -1.623 466 H LYS 62 H LYS 62 13.819 -2.453 -5.222 467 HA LYS 62 HA LYS 62 14.309 -0.921 -6.786 468 HB2 LYS 62 1HB LYS 62 16.442 -3.003 -7.358 469 HB3 LYS 62 2HB LYS 62 16.430 -1.408 -8.126 470 HG2 LYS 62 1HG LYS 62 16.405 -0.309 -5.919 471 HG3 LYS 62 2HG LYS 62 16.513 -1.887 -5.122 472 HD2 LYS 62 1HD LYS 62 18.669 -2.328 -6.199 473 HD3 LYS 62 2HD LYS 62 18.581 -0.809 -7.101 474 HE2 LYS 62 1HE LYS 62 18.588 -0.984 -4.053 475 HE3 LYS 62 2HE LYS 62 20.051 -0.796 -5.025 476 HZ1 LYS 62 3HZ LYS 62 17.791 1.156 -5.004 477 HZ2 LYS 62 1HZ LYS 62 19.133 1.293 -5.897 478 HZ3 LYS 62 2HZ LYS 62 19.238 1.354 -4.268 479 H ILE 63 H ILE 63 12.096 -1.958 -7.485 480 HA ILE 63 HA ILE 63 11.936 -2.859 -10.213 481 HB ILE 63 HB ILE 63 10.204 -3.297 -8.551 482 HG12 ILE 63 1HG1 ILE 63 9.115 -1.744 -10.934 483 HG13 ILE 63 2HG1 ILE 63 9.785 -3.376 -11.016 484 HG21 ILE 63 1HG2 ILE 63 8.615 -1.622 -7.828 485 HG22 ILE 63 2HG2 ILE 63 10.225 -1.040 -7.424 486 HG23 ILE 63 3HG2 ILE 63 9.376 -0.376 -8.834 487 HD11 ILE 63 3HD1 ILE 63 7.366 -3.510 -10.920 488 HD12 ILE 63 1HD1 ILE 63 8.029 -4.149 -9.402 489 HD13 ILE 63 2HD1 ILE 63 7.307 -2.519 -9.453 490 H LYS 64 H LYS 64 11.460 -1.787 -12.105 491 HA LYS 64 HA LYS 64 12.466 0.972 -12.229 492 HB2 LYS 64 1HB LYS 64 11.783 -0.991 -14.443 493 HB3 LYS 64 2HB LYS 64 12.523 0.609 -14.648 494 HG2 LYS 64 1HG LYS 64 14.390 -0.123 -13.118 495 HG3 LYS 64 2HG LYS 64 13.691 -1.752 -13.106 496 HD2 LYS 64 1HD LYS 64 13.999 -1.915 -15.555 497 HD3 LYS 64 2HD LYS 64 14.666 -0.264 -15.588 498 HE2 LYS 64 1HE LYS 64 16.481 -0.968 -14.046 499 HE3 LYS 64 2HE LYS 64 15.825 -2.609 -14.010 500 HZ1 LYS 64 3HZ LYS 64 16.263 -2.764 -16.407 501 HZ2 LYS 64 1HZ LYS 64 17.642 -2.424 -15.606 502 HZ3 LYS 64 2HZ LYS 64 16.879 -1.248 -16.436 503 H GLN 65 H GLN 65 11.038 2.330 -11.499 504 HA GLN 65 HA GLN 65 8.272 2.553 -12.515 505 HB2 GLN 65 1HB GLN 65 9.975 4.456 -10.835 506 HB3 GLN 65 2HB GLN 65 8.252 4.617 -11.166 507 HG2 GLN 65 1HG GLN 65 9.554 2.371 -9.559 508 HG3 GLN 65 2HG GLN 65 8.631 3.723 -8.922 509 HE21 GLN 65 1HE2 GLN 65 6.259 3.845 -9.485 510 HE22 GLN 65 2HE2 GLN 65 5.439 2.330 -9.828 511 H HIS 66 H HIS 66 7.630 4.693 -13.628 512 HA HIS 66 HA HIS 66 9.855 5.819 -15.232 513 HB2 HIS 66 1HB HIS 66 8.711 5.650 -17.300 514 HB3 HIS 66 2HB HIS 66 8.821 4.048 -16.590 515 HD1 HIS 66 1HD HIS 66 6.464 2.885 -15.918 516 HD2 HIS 66 2HD HIS 66 6.254 6.756 -17.553 517 HE1 HIS 66 1HE HIS 66 4.011 3.288 -16.488 518 H CYS 67 H CYS 67 9.737 7.826 -15.944 519 HA CYS 67 HA CYS 67 7.931 9.751 -14.695 520 HB2 CYS 67 1HB CYS 67 10.309 10.201 -15.066 521 HB3 CYS 67 2HB CYS 67 10.113 9.919 -16.807 522 H ARG 68 H ARG 68 6.030 10.364 -15.503 523 HA ARG 68 HA ARG 68 5.151 9.461 -18.181 524 HB2 ARG 68 1HB ARG 68 2.970 10.036 -17.627 525 HB3 ARG 68 2HB ARG 68 3.639 9.234 -16.225 526 HG2 ARG 68 1HG ARG 68 3.174 12.237 -16.579 527 HG3 ARG 68 2HG ARG 68 2.195 11.133 -15.632 528 HD2 ARG 68 1HD ARG 68 5.034 12.012 -15.029 529 HD3 ARG 68 2HD ARG 68 3.558 12.462 -14.183 530 HE ARG 68 HE ARG 68 4.270 9.569 -14.273 531 HH11 ARG 68 2HH1 ARG 68 3.884 12.408 -12.264 532 HH12 ARG 68 1HH1 ARG 68 4.035 11.488 -10.791 533 HH21 ARG 68 2HH2 ARG 68 4.557 8.482 -12.377 534 HH22 ARG 68 1HH2 ARG 68 4.403 9.322 -10.864 535 H PHE 69 H PHE 69 6.838 12.116 -17.106 536 HA PHE 69 HA PHE 69 5.647 14.004 -19.060 537 HB2 PHE 69 1HB PHE 69 7.829 14.434 -17.019 538 HB3 PHE 69 2HB PHE 69 7.027 15.667 -17.964 539 HD1 PHE 69 2HD PHE 69 4.306 15.629 -17.693 540 HD2 PHE 69 1HD PHE 69 7.147 14.153 -14.804 541 HE1 PHE 69 2HE PHE 69 2.647 15.973 -15.877 542 HE2 PHE 69 1HE PHE 69 5.498 14.532 -12.987 543 HZ PHE 69 HZ PHE 69 3.244 15.444 -13.521 544 H CYS 70 H CYS 70 8.693 12.243 -18.466 545 HA CYS 70 HA CYS 70 9.534 12.881 -21.235 546 HB2 CYS 70 1HB CYS 70 11.723 13.420 -20.684 547 HB3 CYS 70 2HB CYS 70 10.627 14.437 -19.761 548 H LYS 71 H LYS 71 8.520 10.408 -19.666 549 HA LYS 71 HA LYS 71 8.631 8.150 -19.883 550 HB2 LYS 71 1HB LYS 71 9.799 8.765 -22.610 551 HB3 LYS 71 2HB LYS 71 8.984 7.286 -22.131 552 HG2 LYS 71 1HG LYS 71 7.745 10.052 -22.400 553 HG3 LYS 71 2HG LYS 71 7.489 8.672 -23.448 554 HD2 LYS 71 1HD LYS 71 6.566 8.960 -20.557 555 HD3 LYS 71 2HD LYS 71 5.555 9.033 -21.986 556 HE2 LYS 71 1HE LYS 71 7.112 6.565 -21.079 557 HE3 LYS 71 2HE LYS 71 5.413 6.874 -20.729 558 HZ1 LYS 71 3HZ LYS 71 6.540 6.551 -23.460 559 HZ2 LYS 71 1HZ LYS 71 4.971 6.864 -23.124 560 HZ3 LYS 71 2HZ LYS 71 5.638 5.451 -22.666 561 H LYS 72 H LYS 72 11.036 9.438 -18.782 562 HA LYS 72 HA LYS 72 13.283 7.612 -19.188 563 HB2 LYS 72 1HB LYS 72 12.585 9.997 -17.485 564 HB3 LYS 72 2HB LYS 72 13.967 8.953 -17.004 565 HG2 LYS 72 1HG LYS 72 14.934 9.252 -19.280 566 HG3 LYS 72 2HG LYS 72 13.560 10.292 -19.693 567 HD2 LYS 72 1HD LYS 72 14.292 11.698 -17.586 568 HD3 LYS 72 2HD LYS 72 15.789 10.767 -17.672 569 HE2 LYS 72 1HE LYS 72 16.104 12.831 -18.857 570 HE3 LYS 72 2HE LYS 72 16.083 11.499 -20.033 571 HZ1 LYS 72 3HZ LYS 72 14.691 13.533 -20.623 572 HZ2 LYS 72 1HZ LYS 72 13.643 13.084 -19.423 573 HZ3 LYS 72 2HZ LYS 72 13.891 12.105 -20.688 574 H LYS 73 H LYS 73 13.921 5.926 -17.885 575 HA LYS 73 HA LYS 73 11.970 4.930 -15.862 576 HB2 LYS 73 1HB LYS 73 14.111 3.524 -17.468 577 HB3 LYS 73 2HB LYS 73 13.304 2.774 -16.082 578 HG2 LYS 73 1HG LYS 73 11.104 3.085 -17.097 579 HG3 LYS 73 2HG LYS 73 11.814 3.902 -18.489 580 HD2 LYS 73 1HD LYS 73 12.346 1.005 -17.688 581 HD3 LYS 73 2HD LYS 73 11.198 1.536 -18.928 582 HE2 LYS 73 1HE LYS 73 13.084 2.624 -20.173 583 HE3 LYS 73 2HE LYS 73 14.217 1.976 -18.979 584 HZ1 LYS 73 3HZ LYS 73 14.072 0.537 -20.928 585 HZ2 LYS 73 1HZ LYS 73 12.466 0.338 -20.738 586 HZ3 LYS 73 2HZ LYS 73 13.502 -0.270 -19.630 587 H TYR 74 H TYR 74 12.440 4.392 -13.884 588 HA TYR 74 HA TYR 74 15.035 5.231 -12.645 589 HB2 TYR 74 1HB TYR 74 12.220 6.210 -12.131 590 HB3 TYR 74 2HB TYR 74 13.363 6.120 -10.803 591 HD1 TYR 74 1HD TYR 74 12.786 7.751 -14.141 592 HD2 TYR 74 2HD TYR 74 15.115 7.655 -10.508 593 HE1 TYR 74 1HE TYR 74 13.995 9.816 -14.856 594 HE2 TYR 74 2HE TYR 74 16.317 9.720 -11.229 595 HH TYR 74 HH TYR 74 15.680 11.282 -14.381 596 H SER 75 H SER 75 15.853 3.471 -11.714 597 HA SER 75 HA SER 75 14.321 1.182 -10.894 598 HB2 SER 75 1HB SER 75 17.204 1.873 -10.251 599 HB3 SER 75 2HB SER 75 16.455 0.267 -10.195 600 HG SER 75 HG SER 75 17.656 0.701 -12.148 601 H ASP 76 H ASP 76 14.778 4.081 -9.234 602 HA ASP 76 HA ASP 76 13.890 2.854 -6.671 603 HB2 ASP 76 1HB ASP 76 16.035 4.994 -6.993 604 HB3 ASP 76 2HB ASP 76 15.222 4.618 -5.477 605 H VAL 77 H VAL 77 11.909 3.658 -6.252 606 HA VAL 77 HA VAL 77 10.746 5.688 -7.845 607 HB VAL 77 HB VAL 77 9.528 3.858 -6.690 608 HG11 VAL 77 1HG1 VAL 77 8.729 4.082 -4.421 609 HG12 VAL 77 2HG1 VAL 77 10.498 4.079 -4.399 610 HG13 VAL 77 3HG1 VAL 77 9.601 5.603 -4.194 611 HG21 VAL 77 3HG2 VAL 77 8.362 5.815 -7.700 612 HG22 VAL 77 1HG2 VAL 77 7.480 5.107 -6.334 613 HG23 VAL 77 2HG2 VAL 77 8.380 6.621 -6.119 614 H LYS 78 H LYS 78 12.233 6.004 -4.619 615 HA LYS 78 HA LYS 78 11.419 8.679 -4.050 616 HB2 LYS 78 1HB LYS 78 14.002 7.223 -3.331 617 HB3 LYS 78 2HB LYS 78 13.497 8.777 -2.655 618 HG2 LYS 78 1HG LYS 78 11.421 7.727 -1.771 619 HG3 LYS 78 2HG LYS 78 11.964 6.153 -2.381 620 HD2 LYS 78 1HD LYS 78 13.985 6.287 -0.948 621 HD3 LYS 78 2HD LYS 78 13.444 7.867 -0.336 622 HE2 LYS 78 1HE LYS 78 11.366 6.809 0.533 623 HE3 LYS 78 2HE LYS 78 11.915 5.236 -0.063 624 HZ1 LYS 78 3HZ LYS 78 13.824 5.408 1.449 625 HZ2 LYS 78 1HZ LYS 78 12.432 5.520 2.292 626 HZ3 LYS 78 2HZ LYS 78 13.313 6.860 1.999 627 H ASN 79 H ASN 79 13.991 7.528 -6.187 628 HA ASN 79 HA ASN 79 15.009 10.228 -6.673 629 HB2 ASN 79 1HB ASN 79 15.571 7.538 -8.004 630 HB3 ASN 79 2HB ASN 79 16.365 9.044 -8.455 631 HD21 ASN 79 1HD2 ASN 79 17.976 6.999 -7.724 632 HD22 ASN 79 2HD2 ASN 79 18.654 7.332 -6.138 633 H LEU 80 H LEU 80 12.585 8.132 -8.196 634 HA LEU 80 HA LEU 80 12.194 9.733 -10.547 635 HB2 LEU 80 1HB LEU 80 11.251 7.461 -10.270 636 HB3 LEU 80 2HB LEU 80 10.202 8.062 -8.987 637 HG LEU 80 HG LEU 80 9.037 9.551 -10.550 638 HD11 LEU 80 1HD1 LEU 80 9.366 9.282 -12.972 639 HD12 LEU 80 2HD1 LEU 80 10.758 8.212 -12.678 640 HD13 LEU 80 3HD1 LEU 80 10.823 9.932 -12.226 641 HD21 LEU 80 3HD2 LEU 80 9.180 6.703 -11.576 642 HD22 LEU 80 1HD2 LEU 80 7.825 7.838 -11.756 643 HD23 LEU 80 2HD2 LEU 80 8.249 7.228 -10.148 644 H ILE 81 H ILE 81 10.743 9.891 -7.237 645 HA ILE 81 HA ILE 81 9.066 12.139 -7.710 646 HB ILE 81 HB ILE 81 10.477 11.611 -5.081 647 HG12 ILE 81 1HG1 ILE 81 9.609 9.516 -5.563 648 HG13 ILE 81 2HG1 ILE 81 8.543 10.253 -4.420 649 HG21 ILE 81 1HG2 ILE 81 9.278 13.724 -5.160 650 HG22 ILE 81 2HG2 ILE 81 7.825 12.920 -5.793 651 HG23 ILE 81 3HG2 ILE 81 8.390 12.590 -4.141 652 HD11 ILE 81 3HD1 ILE 81 7.237 9.042 -6.082 653 HD12 ILE 81 1HD1 ILE 81 6.916 10.778 -6.247 654 HD13 ILE 81 2HD1 ILE 81 7.989 9.952 -7.403 655 H LYS 82 H LYS 82 12.438 12.022 -6.491 656 HA LYS 82 HA LYS 82 12.831 14.820 -6.295 657 HB2 LYS 82 1HB LYS 82 14.325 12.861 -5.463 658 HB3 LYS 82 2HB LYS 82 15.038 12.884 -7.082 659 HG2 LYS 82 1HG LYS 82 15.470 15.408 -6.676 660 HG3 LYS 82 2HG LYS 82 14.936 15.133 -5.022 661 HD2 LYS 82 1HD LYS 82 17.304 15.034 -4.932 662 HD3 LYS 82 2HD LYS 82 16.752 13.366 -4.816 663 HE2 LYS 82 1HE LYS 82 18.601 13.339 -6.305 664 HE3 LYS 82 2HE LYS 82 17.173 13.139 -7.323 665 HZ1 LYS 82 3HZ LYS 82 17.333 15.537 -7.880 666 HZ2 LYS 82 1HZ LYS 82 18.725 14.773 -8.246 667 HZ3 LYS 82 2HZ LYS 82 18.637 15.697 -6.907 668 H HIS 83 H HIS 83 13.466 12.686 -9.113 669 HA HIS 83 HA HIS 83 14.307 14.678 -10.967 670 HB2 HIS 83 1HB HIS 83 14.599 12.368 -11.478 671 HB3 HIS 83 2HB HIS 83 12.902 11.996 -11.218 672 HD1 HIS 83 1HD HIS 83 15.086 13.824 -13.818 673 HD2 HIS 83 2HD HIS 83 11.239 12.234 -13.222 674 HE1 HIS 83 1HE HIS 83 13.941 13.932 -16.080 675 H ILE 84 H ILE 84 10.944 13.625 -10.199 676 HA ILE 84 HA ILE 84 9.725 15.424 -12.087 677 HB ILE 84 HB ILE 84 8.743 14.017 -9.608 678 HG12 ILE 84 1HG1 ILE 84 7.911 13.581 -12.502 679 HG13 ILE 84 2HG1 ILE 84 9.343 12.806 -11.835 680 HG21 ILE 84 1HG2 ILE 84 6.414 14.648 -10.301 681 HG22 ILE 84 2HG2 ILE 84 7.354 16.034 -9.776 682 HG23 ILE 84 3HG2 ILE 84 7.100 15.752 -11.511 683 HD11 ILE 84 3HD1 ILE 84 6.520 12.458 -10.783 684 HD12 ILE 84 1HD1 ILE 84 7.500 11.273 -11.672 685 HD13 ILE 84 2HD1 ILE 84 7.985 11.788 -10.036 686 H ARG 85 H ARG 85 10.492 15.863 -8.608 687 HA ARG 85 HA ARG 85 9.650 18.646 -8.531 688 HB2 ARG 85 1HB ARG 85 11.645 17.110 -6.814 689 HB3 ARG 85 2HB ARG 85 11.074 18.736 -6.480 690 HG2 ARG 85 1HG ARG 85 8.694 17.196 -6.862 691 HG3 ARG 85 2HG ARG 85 9.781 16.172 -5.919 692 HD2 ARG 85 1HD ARG 85 8.468 17.466 -4.387 693 HD3 ARG 85 2HD ARG 85 10.138 18.075 -4.343 694 HE ARG 85 HE ARG 85 8.613 19.579 -6.272 695 HH11 ARG 85 2HH1 ARG 85 8.887 19.375 -2.772 696 HH12 ARG 85 1HH1 ARG 85 8.380 21.034 -2.580 697 HH21 ARG 85 2HH2 ARG 85 8.025 21.536 -5.991 698 HH22 ARG 85 1HH2 ARG 85 7.881 22.270 -4.394 699 H ASP 86 H ASP 86 12.624 17.244 -9.642 700 HA ASP 86 HA ASP 86 14.062 19.804 -9.703 701 HB2 ASP 86 1HB ASP 86 14.713 17.034 -10.767 702 HB3 ASP 86 2HB ASP 86 15.753 18.434 -10.982 703 H ALA 87 H ALA 87 12.613 17.673 -12.201 704 HA ALA 87 HA ALA 87 13.246 19.686 -14.294 705 HB1 ALA 87 1HB ALA 87 13.036 17.782 -15.815 706 HB2 ALA 87 2HB ALA 87 14.151 17.399 -14.488 707 HB3 ALA 87 3HB ALA 87 12.498 16.742 -14.481 708 H HIS 88 H HIS 88 10.413 18.211 -12.771 709 HA HIS 88 HA HIS 88 8.629 19.482 -14.797 710 HB2 HIS 88 1HB HIS 88 8.197 16.831 -13.395 711 HB3 HIS 88 2HB HIS 88 7.280 17.500 -14.732 712 HD1 HIS 88 1HD HIS 88 9.215 17.932 -17.014 713 HD2 HIS 88 2HD HIS 88 9.629 14.880 -14.161 714 HE1 HIS 88 1HE HIS 88 10.623 16.130 -18.129 715 H ASP 89 H ASP 89 9.420 20.366 -11.999 716 HA ASP 89 HA ASP 89 7.515 19.844 -10.114 717 HB2 ASP 89 1HB ASP 89 9.707 21.052 -9.886 718 HB3 ASP 89 2HB ASP 89 8.899 22.529 -10.376 719 HA PRO 90 HA PRO 90 3.894 21.621 -11.864 720 HB2 PRO 90 1HB PRO 90 2.078 21.399 -9.805 721 HB3 PRO 90 2HB PRO 90 2.697 20.022 -10.769 722 HG2 PRO 90 1HG PRO 90 3.683 21.000 -8.070 723 HG3 PRO 90 2HG PRO 90 3.301 19.320 -8.571 724 HD2 PRO 90 1HD PRO 90 5.850 20.250 -8.574 725 HD3 PRO 90 2HD PRO 90 5.284 19.170 -9.880 726 H GLN 91 H GLN 91 2.786 23.475 -12.153 727 HA GLN 91 HA GLN 91 2.736 25.624 -10.124 728 HB2 GLN 91 1HB GLN 91 4.692 26.085 -11.493 729 HB3 GLN 91 2HB GLN 91 3.801 25.748 -12.975 730 HG2 GLN 91 1HG GLN 91 4.096 28.130 -12.724 731 HG3 GLN 91 2HG GLN 91 2.393 27.707 -12.639 732 HE21 GLN 91 1HE2 GLN 91 1.280 28.799 -11.007 733 HE22 GLN 91 2HE2 GLN 91 2.034 29.343 -9.506 734 H ASP 92 H ASP 92 0.742 26.455 -9.984 735 HA ASP 92 HA ASP 92 -1.410 25.700 -11.825 736 HB2 ASP 92 1HB ASP 92 -2.887 26.699 -10.277 737 HB3 ASP 92 2HB ASP 92 -1.722 25.756 -9.368 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -32.692 -5.359 4.281 2 H2 GLY 1 2H GLY 1 -31.992 -3.877 4.240 3 H3 GLY 1 3H GLY 1 -33.065 -4.308 3.082 4 HA2 GLY 1 1HA GLY 1 -34.861 -4.398 4.675 5 HA3 GLY 1 2HA GLY 1 -33.701 -3.952 5.939 6 H SER 2 H SER 2 -36.115 -2.529 5.203 7 HA SER 2 HA SER 2 -35.568 -0.220 3.602 8 HB2 SER 2 1HB SER 2 -37.633 -0.572 5.806 9 HB3 SER 2 2HB SER 2 -37.659 0.653 4.527 10 HG SER 2 HG SER 2 -37.894 -1.004 2.991 11 H SER 3 H SER 3 -35.262 1.951 4.170 12 HA SER 3 HA SER 3 -33.539 2.451 6.473 13 HB2 SER 3 1HB SER 3 -33.231 3.452 4.189 14 HB3 SER 3 2HB SER 3 -34.664 4.455 4.492 15 HG SER 3 HG SER 3 -32.668 5.499 5.049 16 H GLY 4 H GLY 4 -33.884 4.208 7.997 17 HA2 GLY 4 1HA GLY 4 -36.405 5.426 8.533 18 HA3 GLY 4 2HA GLY 4 -36.234 4.002 9.564 19 H SER 5 H SER 5 -36.475 6.527 10.662 20 HA SER 5 HA SER 5 -33.905 7.735 11.262 21 HB2 SER 5 1HB SER 5 -35.265 9.153 12.819 22 HB3 SER 5 2HB SER 5 -35.765 9.178 11.124 23 HG SER 5 HG SER 5 -36.996 7.693 13.233 24 H SER 6 H SER 6 -32.687 7.684 13.078 25 HA SER 6 HA SER 6 -33.525 6.363 15.541 26 HB2 SER 6 1HB SER 6 -32.665 4.492 14.006 27 HB3 SER 6 2HB SER 6 -31.077 5.269 14.103 28 HG SER 6 HG SER 6 -32.645 4.096 16.172 29 H GLY 7 H GLY 7 -32.006 6.754 17.292 30 HA2 GLY 7 1HA GLY 7 -30.750 9.382 17.158 31 HA3 GLY 7 2HA GLY 7 -30.824 8.309 18.557 32 H LYS 8 H LYS 8 -29.379 6.368 18.442 33 HA LYS 8 HA LYS 8 -27.258 5.503 18.549 34 HB2 LYS 8 1HB LYS 8 -27.386 6.173 15.603 35 HB3 LYS 8 2HB LYS 8 -26.204 5.089 16.353 36 HG2 LYS 8 1HG LYS 8 -28.016 3.617 17.155 37 HG3 LYS 8 2HG LYS 8 -29.220 4.686 16.415 38 HD2 LYS 8 1HD LYS 8 -28.240 4.260 14.177 39 HD3 LYS 8 2HD LYS 8 -27.042 3.170 14.915 40 HE2 LYS 8 1HE LYS 8 -28.892 1.746 15.784 41 HE3 LYS 8 2HE LYS 8 -30.075 2.828 15.041 42 HZ1 LYS 8 3HZ LYS 8 -29.626 0.900 13.631 43 HZ2 LYS 8 1HZ LYS 8 -28.035 1.252 13.555 44 HZ3 LYS 8 2HZ LYS 8 -29.128 2.252 12.864 45 HA PRO 9 HA PRO 9 -25.348 9.772 18.965 46 HB2 PRO 9 1HB PRO 9 -24.559 9.486 21.609 47 HB3 PRO 9 2HB PRO 9 -26.169 10.037 21.087 48 HG2 PRO 9 1HG PRO 9 -25.361 7.228 21.850 49 HG3 PRO 9 2HG PRO 9 -26.760 8.178 22.455 50 HD2 PRO 9 1HD PRO 9 -27.067 6.411 20.452 51 HD3 PRO 9 2HD PRO 9 -27.877 8.003 20.354 52 H TYR 10 H TYR 10 -24.102 6.579 19.900 53 HA TYR 10 HA TYR 10 -21.359 7.545 19.949 54 HB2 TYR 10 1HB TYR 10 -22.405 4.736 20.252 55 HB3 TYR 10 2HB TYR 10 -20.885 5.404 20.856 56 HD1 TYR 10 2HD TYR 10 -21.640 7.881 22.241 57 HD2 TYR 10 1HD TYR 10 -23.830 4.184 21.955 58 HE1 TYR 10 2HE TYR 10 -22.824 8.418 24.350 59 HE2 TYR 10 1HE TYR 10 -25.020 4.724 24.059 60 HH TYR 10 HH TYR 10 -25.273 6.226 25.786 61 H LYS 11 H LYS 11 -20.487 7.980 18.036 62 HA LYS 11 HA LYS 11 -20.858 6.209 15.653 63 HB2 LYS 11 1HB LYS 11 -19.805 9.054 15.934 64 HB3 LYS 11 2HB LYS 11 -19.675 8.110 14.464 65 HG2 LYS 11 1HG LYS 11 -21.488 9.541 14.152 66 HG3 LYS 11 2HG LYS 11 -22.156 7.922 14.346 67 HD2 LYS 11 1HD LYS 11 -22.913 8.451 16.604 68 HD3 LYS 11 2HD LYS 11 -21.990 9.964 16.598 69 HE2 LYS 11 1HE LYS 11 -24.235 10.593 16.271 70 HE3 LYS 11 2HE LYS 11 -23.444 10.779 14.704 71 HZ1 LYS 11 3HZ LYS 11 -24.437 8.640 14.046 72 HZ2 LYS 11 1HZ LYS 11 -25.612 9.668 14.530 73 HZ3 LYS 11 2HZ LYS 11 -25.126 8.471 15.534 74 H CYS 12 H CYS 12 -19.138 5.423 14.442 75 HA CYS 12 HA CYS 12 -16.631 4.898 15.820 76 HB2 CYS 12 1HB CYS 12 -17.708 3.218 14.497 77 HB3 CYS 12 2HB CYS 12 -17.691 4.254 13.066 78 HA PRO 13 HA PRO 13 -14.662 8.542 13.978 79 HB2 PRO 13 1HB PRO 13 -12.113 8.167 14.850 80 HB3 PRO 13 2HB PRO 13 -13.451 8.584 15.962 81 HG2 PRO 13 1HG PRO 13 -12.262 5.857 15.403 82 HG3 PRO 13 2HG PRO 13 -12.659 6.592 16.986 83 HD2 PRO 13 1HD PRO 13 -14.336 4.849 15.623 84 HD3 PRO 13 2HD PRO 13 -14.936 6.106 16.737 85 H GLN 14 H GLN 14 -14.172 5.257 13.047 86 HA GLN 14 HA GLN 14 -12.274 6.014 10.858 87 HB2 GLN 14 1HB GLN 14 -12.717 3.266 12.065 88 HB3 GLN 14 2HB GLN 14 -11.513 3.757 10.880 89 HG2 GLN 14 1HG GLN 14 -10.904 5.537 12.823 90 HG3 GLN 14 2HG GLN 14 -11.667 4.309 13.830 91 HE21 GLN 14 1HE2 GLN 14 -9.639 3.883 14.936 92 HE22 GLN 14 2HE2 GLN 14 -8.334 3.049 14.105 93 H CYS 15 H CYS 15 -15.464 4.577 11.436 94 HA CYS 15 HA CYS 15 -15.876 4.655 8.499 95 HB2 CYS 15 1HB CYS 15 -16.706 2.434 8.317 96 HB3 CYS 15 2HB CYS 15 -15.101 2.363 9.028 97 H SER 16 H SER 16 -18.288 3.871 8.080 98 HA SER 16 HA SER 16 -19.922 5.991 9.097 99 HB2 SER 16 1HB SER 16 -20.740 3.578 7.442 100 HB3 SER 16 2HB SER 16 -21.637 5.099 7.614 101 HG SER 16 HG SER 16 -20.389 5.047 5.686 102 H TYR 17 H TYR 17 -19.219 3.199 10.723 103 HA TYR 17 HA TYR 17 -21.711 2.214 11.659 104 HB2 TYR 17 1HB TYR 17 -19.655 0.991 11.880 105 HB3 TYR 17 2HB TYR 17 -18.930 2.263 12.847 106 HD1 TYR 17 1HD TYR 17 -21.317 -0.563 12.813 107 HD2 TYR 17 2HD TYR 17 -19.535 2.514 15.264 108 HE1 TYR 17 1HE TYR 17 -22.070 -1.749 14.876 109 HE2 TYR 17 2HE TYR 17 -20.266 1.291 17.317 110 HH TYR 17 HH TYR 17 -22.072 -1.767 17.141 111 H ALA 18 H ALA 18 -22.947 2.580 13.394 112 HA ALA 18 HA ALA 18 -22.178 4.365 15.525 113 HB1 ALA 18 1HB ALA 18 -24.723 5.007 13.965 114 HB2 ALA 18 2HB ALA 18 -24.103 5.855 15.403 115 HB3 ALA 18 3HB ALA 18 -23.219 5.947 13.865 116 H SER 19 H SER 19 -23.454 4.062 17.433 117 HA SER 19 HA SER 19 -25.683 2.118 17.344 118 HB2 SER 19 1HB SER 19 -23.545 0.820 17.688 119 HB3 SER 19 2HB SER 19 -23.335 1.678 19.224 120 HG SER 19 HG SER 19 -25.552 0.039 18.436 121 H ALA 20 H ALA 20 -26.851 1.946 19.344 122 HA ALA 20 HA ALA 20 -26.972 4.448 20.921 123 HB1 ALA 20 1HB ALA 20 -28.865 2.074 20.780 124 HB2 ALA 20 2HB ALA 20 -29.155 3.609 21.631 125 HB3 ALA 20 3HB ALA 20 -29.032 3.590 19.860 126 H ILE 21 H ILE 21 -25.231 1.661 21.149 127 HA ILE 21 HA ILE 21 -25.118 1.796 24.141 128 HB ILE 21 HB ILE 21 -24.743 -0.657 22.390 129 HG12 ILE 21 1HG1 ILE 21 -27.055 0.054 24.257 130 HG13 ILE 21 2HG1 ILE 21 -27.132 -0.003 22.496 131 HG21 ILE 21 1HG2 ILE 21 -23.342 -0.633 24.463 132 HG22 ILE 21 2HG2 ILE 21 -24.806 -0.383 25.437 133 HG23 ILE 21 3HG2 ILE 21 -24.558 -1.886 24.520 134 HD11 ILE 21 3HD1 ILE 21 -26.580 -2.446 22.569 135 HD12 ILE 21 1HD1 ILE 21 -26.759 -2.377 24.342 136 HD13 ILE 21 2HD1 ILE 21 -28.133 -1.996 23.299 137 H LYS 22 H LYS 22 -23.221 2.688 24.741 138 HA LYS 22 HA LYS 22 -21.039 3.059 22.930 139 HB2 LYS 22 1HB LYS 22 -19.805 3.996 24.783 140 HB3 LYS 22 2HB LYS 22 -21.321 4.722 24.284 141 HG2 LYS 22 1HG LYS 22 -22.452 3.578 26.267 142 HG3 LYS 22 2HG LYS 22 -20.820 3.093 26.813 143 HD2 LYS 22 1HD LYS 22 -20.106 5.440 26.749 144 HD3 LYS 22 2HD LYS 22 -21.667 5.917 26.062 145 HE2 LYS 22 1HE LYS 22 -22.830 5.145 28.116 146 HE3 LYS 22 2HE LYS 22 -21.276 4.688 28.832 147 HZ1 LYS 22 3HZ LYS 22 -21.987 6.883 29.589 148 HZ2 LYS 22 1HZ LYS 22 -22.063 7.451 28.063 149 HZ3 LYS 22 2HZ LYS 22 -20.620 7.040 28.715 150 H ALA 23 H ALA 23 -21.622 0.487 25.253 151 HA ALA 23 HA ALA 23 -19.016 -0.712 25.136 152 HB1 ALA 23 1HB ALA 23 -20.734 -1.290 26.818 153 HB2 ALA 23 2HB ALA 23 -21.738 -2.023 25.543 154 HB3 ALA 23 3HB ALA 23 -20.158 -2.719 25.942 155 H ASN 24 H ASN 24 -21.736 -0.756 22.842 156 HA ASN 24 HA ASN 24 -20.645 -2.846 21.158 157 HB2 ASN 24 1HB ASN 24 -23.104 -1.841 21.404 158 HB3 ASN 24 2HB ASN 24 -22.550 -0.702 20.194 159 HD21 ASN 24 1HD2 ASN 24 -24.408 -1.703 19.088 160 HD22 ASN 24 2HD2 ASN 24 -24.159 -3.214 18.209 161 H LEU 25 H LEU 25 -20.515 0.758 21.174 162 HA LEU 25 HA LEU 25 -18.804 0.966 18.885 163 HB2 LEU 25 1HB LEU 25 -19.939 2.920 19.786 164 HB3 LEU 25 2HB LEU 25 -19.046 2.788 21.303 165 HG LEU 25 HG LEU 25 -16.921 3.259 20.142 166 HD11 LEU 25 1HD1 LEU 25 -16.926 4.076 17.817 167 HD12 LEU 25 2HD1 LEU 25 -18.639 3.625 17.645 168 HD13 LEU 25 3HD1 LEU 25 -17.389 2.380 17.880 169 HD21 LEU 25 3HD2 LEU 25 -17.308 5.597 19.659 170 HD22 LEU 25 1HD2 LEU 25 -18.298 5.117 21.049 171 HD23 LEU 25 2HD2 LEU 25 -19.043 5.312 19.442 172 H ASN 26 H ASN 26 -17.878 0.611 22.373 173 HA ASN 26 HA ASN 26 -15.081 0.538 22.008 174 HB2 ASN 26 1HB ASN 26 -16.740 -1.247 23.856 175 HB3 ASN 26 2HB ASN 26 -15.018 -0.961 23.999 176 HD21 ASN 26 1HD2 ASN 26 -16.833 -0.655 26.010 177 HD22 ASN 26 2HD2 ASN 26 -16.823 1.045 26.501 178 H VAL 27 H VAL 27 -17.392 -2.204 21.738 179 HA VAL 27 HA VAL 27 -15.353 -4.120 21.186 180 HB VAL 27 HB VAL 27 -17.915 -4.311 21.967 181 HG11 VAL 27 1HG1 VAL 27 -19.020 -3.928 19.833 182 HG12 VAL 27 2HG1 VAL 27 -18.147 -5.305 19.116 183 HG13 VAL 27 3HG1 VAL 27 -19.299 -5.541 20.450 184 HG21 VAL 27 3HG2 VAL 27 -16.121 -5.950 22.194 185 HG22 VAL 27 1HG2 VAL 27 -17.608 -6.745 21.641 186 HG23 VAL 27 2HG2 VAL 27 -16.312 -6.387 20.463 187 H HIS 28 H HIS 28 -17.395 -2.222 19.095 188 HA HIS 28 HA HIS 28 -16.767 -3.419 16.644 189 HB2 HIS 28 1HB HIS 28 -18.624 -1.924 16.934 190 HB3 HIS 28 2HB HIS 28 -17.590 -0.594 17.438 191 HD1 HIS 28 1HD HIS 28 -18.638 -2.310 14.185 192 HD2 HIS 28 2HD HIS 28 -16.298 0.862 15.636 193 HE1 HIS 28 1HE HIS 28 -17.839 -1.036 12.134 194 H LEU 29 H LEU 29 -15.080 -0.744 18.319 195 HA LEU 29 HA LEU 29 -13.252 -0.003 16.290 196 HB2 LEU 29 1HB LEU 29 -12.983 -0.016 19.313 197 HB3 LEU 29 2HB LEU 29 -11.838 0.796 18.260 198 HG LEU 29 HG LEU 29 -14.792 1.480 18.222 199 HD11 LEU 29 1HD1 LEU 29 -14.268 3.361 19.726 200 HD12 LEU 29 2HD1 LEU 29 -12.586 2.795 19.867 201 HD13 LEU 29 3HD1 LEU 29 -13.918 1.819 20.519 202 HD21 LEU 29 3HD2 LEU 29 -13.986 3.633 17.386 203 HD22 LEU 29 1HD2 LEU 29 -13.565 2.310 16.295 204 HD23 LEU 29 2HD2 LEU 29 -12.321 3.018 17.359 205 H ARG 30 H ARG 30 -13.198 -2.845 18.281 206 HA ARG 30 HA ARG 30 -10.446 -3.498 18.276 207 HB2 ARG 30 1HB ARG 30 -12.849 -5.375 18.228 208 HB3 ARG 30 2HB ARG 30 -11.205 -5.834 18.661 209 HG2 ARG 30 1HG ARG 30 -11.229 -4.304 20.589 210 HG3 ARG 30 2HG ARG 30 -12.841 -3.737 20.146 211 HD2 ARG 30 1HD ARG 30 -13.040 -5.307 21.958 212 HD3 ARG 30 2HD ARG 30 -13.777 -5.986 20.514 213 HE ARG 30 HE ARG 30 -11.186 -6.800 21.777 214 HH11 ARG 30 2HH1 ARG 30 -13.655 -7.603 19.414 215 HH12 ARG 30 1HH1 ARG 30 -13.037 -9.217 19.195 216 HH21 ARG 30 2HH2 ARG 30 -10.460 -8.862 21.441 217 HH22 ARG 30 1HH2 ARG 30 -11.277 -9.902 20.311 218 H LYS 31 H LYS 31 -12.706 -3.763 15.641 219 HA LYS 31 HA LYS 31 -10.991 -5.520 14.024 220 HB2 LYS 31 1HB LYS 31 -12.589 -5.425 12.374 221 HB3 LYS 31 2HB LYS 31 -13.507 -5.322 13.873 222 HG2 LYS 31 1HG LYS 31 -13.632 -2.784 13.483 223 HG3 LYS 31 2HG LYS 31 -12.842 -3.058 11.933 224 HD2 LYS 31 1HD LYS 31 -15.198 -2.896 11.527 225 HD3 LYS 31 2HD LYS 31 -14.691 -4.566 11.245 226 HE2 LYS 31 1HE LYS 31 -15.496 -5.101 13.611 227 HE3 LYS 31 2HE LYS 31 -16.140 -3.461 13.698 228 HZ1 LYS 31 3HZ LYS 31 -17.834 -5.071 12.974 229 HZ2 LYS 31 1HZ LYS 31 -16.925 -5.541 11.709 230 HZ3 LYS 31 2HZ LYS 31 -17.543 -4.033 11.741 231 H HIS 32 H HIS 32 -11.202 -2.085 14.501 232 HA HIS 32 HA HIS 32 -9.717 -1.402 12.068 233 HB2 HIS 32 1HB HIS 32 -10.629 0.305 14.412 234 HB3 HIS 32 2HB HIS 32 -9.918 0.894 12.917 235 HD1 HIS 32 1HD HIS 32 -11.529 -0.439 10.676 236 HD2 HIS 32 2HD HIS 32 -13.138 0.964 14.294 237 HE1 HIS 32 1HE HIS 32 -13.980 -0.002 10.208 238 H THR 33 H THR 33 -8.823 -2.077 15.411 239 HA THR 33 HA THR 33 -6.176 -0.883 15.314 240 HB THR 33 HB THR 33 -5.646 -2.250 17.229 241 HG1 THR 33 1HG THR 33 -7.059 -3.842 17.943 242 HG21 THR 33 3HG2 THR 33 -7.245 -0.328 17.558 243 HG22 THR 33 1HG2 THR 33 -7.385 -1.620 18.774 244 HG23 THR 33 2HG2 THR 33 -8.582 -1.503 17.464 245 H GLY 34 H GLY 34 -7.538 -3.903 14.239 246 HA2 GLY 34 1HA GLY 34 -5.094 -5.280 13.563 247 HA3 GLY 34 2HA GLY 34 -6.759 -5.684 13.108 248 H GLU 35 H GLU 35 -4.287 -3.197 12.453 249 HA GLU 35 HA GLU 35 -5.383 -2.200 10.061 250 HB2 GLU 35 1HB GLU 35 -3.903 -0.966 11.515 251 HB3 GLU 35 2HB GLU 35 -2.556 -2.046 11.134 252 HG2 GLU 35 1HG GLU 35 -2.472 -1.254 8.848 253 HG3 GLU 35 2HG GLU 35 -4.021 -0.424 9.023 254 H LYS 36 H LYS 36 -5.229 -2.496 7.973 255 HA LYS 36 HA LYS 36 -3.656 -4.789 6.920 256 HB2 LYS 36 1HB LYS 36 -5.840 -3.109 5.630 257 HB3 LYS 36 2HB LYS 36 -4.873 -4.345 4.808 258 HG2 LYS 36 1HG LYS 36 -5.617 -5.969 6.656 259 HG3 LYS 36 2HG LYS 36 -6.805 -4.744 7.129 260 HD2 LYS 36 1HD LYS 36 -7.845 -4.833 4.899 261 HD3 LYS 36 2HD LYS 36 -6.549 -5.881 4.306 262 HE2 LYS 36 1HE LYS 36 -8.429 -7.277 4.700 263 HE3 LYS 36 2HE LYS 36 -7.207 -7.640 5.920 264 HZ1 LYS 36 3HZ LYS 36 -9.441 -7.459 6.891 265 HZ2 LYS 36 1HZ LYS 36 -9.606 -5.928 6.358 266 HZ3 LYS 36 2HZ LYS 36 -8.492 -6.281 7.504 267 H PHE 37 H PHE 37 -1.726 -4.396 6.513 268 HA PHE 37 HA PHE 37 -0.641 -1.819 5.602 269 HB2 PHE 37 1HB PHE 37 0.686 -4.511 6.138 270 HB3 PHE 37 2HB PHE 37 1.513 -2.986 5.852 271 HD1 PHE 37 2HD PHE 37 1.427 -1.124 7.512 272 HD2 PHE 37 1HD PHE 37 -0.335 -4.977 8.300 273 HE1 PHE 37 2HE PHE 37 1.086 -0.488 9.872 274 HE2 PHE 37 1HE PHE 37 -0.628 -4.359 10.679 275 HZ PHE 37 HZ PHE 37 -0.010 -2.083 11.456 276 H ALA 38 H ALA 38 -1.033 -1.321 3.539 277 HA ALA 38 HA ALA 38 -1.265 -3.410 1.464 278 HB1 ALA 38 1HB ALA 38 -2.323 -1.649 0.148 279 HB2 ALA 38 2HB ALA 38 -3.070 -1.713 1.760 280 HB3 ALA 38 3HB ALA 38 -1.897 -0.432 1.367 281 H CYS 39 H CYS 39 -0.095 -3.521 -0.445 282 HA CYS 39 HA CYS 39 2.554 -2.369 -0.505 283 HB2 CYS 39 1HB CYS 39 1.906 -4.564 -1.278 284 HB3 CYS 39 2HB CYS 39 0.871 -3.862 -2.525 285 H ASP 40 H ASP 40 3.354 -0.723 -1.593 286 HA ASP 40 HA ASP 40 1.529 1.313 -2.717 287 HB2 ASP 40 1HB ASP 40 3.427 1.870 -1.152 288 HB3 ASP 40 2HB ASP 40 4.555 1.372 -2.415 289 H TYR 41 H TYR 41 3.013 -1.453 -3.864 290 HA TYR 41 HA TYR 41 3.593 -0.359 -6.591 291 HB2 TYR 41 1HB TYR 41 4.793 -2.743 -5.143 292 HB3 TYR 41 2HB TYR 41 5.160 -2.216 -6.764 293 HD1 TYR 41 2HD TYR 41 5.441 -1.506 -3.162 294 HD2 TYR 41 1HD TYR 41 6.681 -0.287 -7.107 295 HE1 TYR 41 2HE TYR 41 7.231 -0.080 -2.157 296 HE2 TYR 41 1HE TYR 41 8.479 1.122 -6.103 297 HH TYR 41 HH TYR 41 8.970 1.360 -2.565 298 H CYS 42 H CYS 42 1.819 -2.828 -4.812 299 HA CYS 42 HA CYS 42 0.230 -3.282 -7.254 300 HB2 CYS 42 1HB CYS 42 0.167 -5.707 -7.034 301 HB3 CYS 42 2HB CYS 42 1.807 -5.129 -7.354 302 H SER 43 H SER 43 -1.594 -5.072 -6.447 303 HA SER 43 HA SER 43 -3.227 -3.619 -4.514 304 HB2 SER 43 1HB SER 43 -4.945 -5.297 -5.146 305 HB3 SER 43 2HB SER 43 -4.251 -4.442 -6.528 306 HG SER 43 HG SER 43 -4.394 -6.717 -6.882 307 H PHE 44 H PHE 44 -0.750 -5.688 -3.893 308 HA PHE 44 HA PHE 44 -1.804 -7.671 -2.211 309 HB2 PHE 44 1HB PHE 44 0.418 -7.747 -3.012 310 HB3 PHE 44 2HB PHE 44 0.865 -6.262 -2.207 311 HD1 PHE 44 2HD PHE 44 0.245 -9.878 -1.765 312 HD2 PHE 44 1HD PHE 44 1.380 -6.208 0.196 313 HE1 PHE 44 2HE PHE 44 1.068 -11.171 0.190 314 HE2 PHE 44 1HE PHE 44 2.197 -7.503 2.147 315 HZ PHE 44 HZ PHE 44 2.053 -9.988 2.144 316 H THR 45 H THR 45 -2.032 -7.886 -0.024 317 HA THR 45 HA THR 45 -1.587 -5.650 1.819 318 HB THR 45 HB THR 45 -3.799 -6.007 2.903 319 HG1 THR 45 1HG THR 45 -4.376 -7.974 1.849 320 HG21 THR 45 3HG2 THR 45 -3.918 -4.929 0.075 321 HG22 THR 45 1HG2 THR 45 -3.384 -4.069 1.542 322 HG23 THR 45 2HG2 THR 45 -5.073 -4.587 1.390 323 H CYS 46 H CYS 46 -1.324 -6.213 3.937 324 HA CYS 46 HA CYS 46 -1.723 -9.026 4.779 325 HB2 CYS 46 1HB CYS 46 0.658 -8.738 3.888 326 HB3 CYS 46 2HB CYS 46 0.950 -7.639 5.249 327 HG CYS 46 HG CYS 46 -0.028 -10.827 5.221 328 H LEU 47 H LEU 47 -1.706 -9.309 7.109 329 HA LEU 47 HA LEU 47 -2.735 -6.967 8.571 330 HB2 LEU 47 1HB LEU 47 -2.619 -9.951 9.088 331 HB3 LEU 47 2HB LEU 47 -2.981 -8.843 10.387 332 HG LEU 47 HG LEU 47 -4.988 -9.820 9.464 333 HD11 LEU 47 1HD1 LEU 47 -4.901 -6.834 8.883 334 HD12 LEU 47 2HD1 LEU 47 -5.075 -7.568 10.488 335 HD13 LEU 47 3HD1 LEU 47 -6.328 -7.816 9.262 336 HD21 LEU 47 3HD2 LEU 47 -5.891 -9.295 7.299 337 HD22 LEU 47 1HD2 LEU 47 -4.296 -10.032 7.081 338 HD23 LEU 47 2HD2 LEU 47 -4.499 -8.272 6.892 339 H SER 48 H SER 48 0.345 -8.010 8.006 340 HA SER 48 HA SER 48 1.377 -6.697 10.491 341 HB2 SER 48 1HB SER 48 2.502 -9.209 9.193 342 HB3 SER 48 2HB SER 48 3.249 -8.305 10.521 343 HG SER 48 HG SER 48 2.041 -10.093 11.289 344 H LYS 49 H LYS 49 2.648 -5.125 10.177 345 HA LYS 49 HA LYS 49 3.381 -4.048 7.693 346 HB2 LYS 49 1HB LYS 49 4.896 -2.626 9.016 347 HB3 LYS 49 2HB LYS 49 3.226 -2.658 9.575 348 HG2 LYS 49 1HG LYS 49 3.992 -4.238 11.435 349 HG3 LYS 49 2HG LYS 49 5.647 -3.976 10.860 350 HD2 LYS 49 1HD LYS 49 5.359 -2.457 12.645 351 HD3 LYS 49 2HD LYS 49 5.240 -1.474 11.172 352 HE2 LYS 49 1HE LYS 49 2.761 -1.539 11.338 353 HE3 LYS 49 2HE LYS 49 2.879 -2.545 12.786 354 HZ1 LYS 49 3HZ LYS 49 2.572 -0.202 13.356 355 HZ2 LYS 49 1HZ LYS 49 3.926 0.229 12.553 356 HZ3 LYS 49 2HZ LYS 49 4.029 -0.702 13.892 357 H GLY 50 H GLY 50 5.291 -6.166 9.794 358 HA2 GLY 50 1HA GLY 50 7.779 -5.924 8.391 359 HA3 GLY 50 2HA GLY 50 7.285 -7.214 9.485 360 H HIS 51 H HIS 51 4.978 -8.132 7.913 361 HA HIS 51 HA HIS 51 6.279 -9.693 5.825 362 HB2 HIS 51 1HB HIS 51 3.350 -9.317 6.503 363 HB3 HIS 51 2HB HIS 51 3.998 -10.511 5.376 364 HD1 HIS 51 1HD HIS 51 2.332 -11.462 7.867 365 HD2 HIS 51 2HD HIS 51 6.525 -11.155 7.664 366 HE1 HIS 51 1HE HIS 51 3.253 -13.045 9.645 367 H LEU 52 H LEU 52 4.240 -6.729 5.829 368 HA LEU 52 HA LEU 52 4.106 -6.470 2.978 369 HB2 LEU 52 1HB LEU 52 2.682 -5.094 4.383 370 HB3 LEU 52 2HB LEU 52 4.077 -4.385 5.195 371 HG LEU 52 HG LEU 52 4.809 -3.340 3.044 372 HD11 LEU 52 1HD1 LEU 52 3.723 -4.896 1.445 373 HD12 LEU 52 2HD1 LEU 52 3.239 -3.229 1.195 374 HD13 LEU 52 3HD1 LEU 52 2.123 -4.349 2.010 375 HD21 LEU 52 3HD2 LEU 52 3.242 -1.564 3.002 376 HD22 LEU 52 1HD2 LEU 52 3.411 -2.100 4.681 377 HD23 LEU 52 2HD2 LEU 52 1.980 -2.567 3.724 378 H LYS 53 H LYS 53 6.631 -5.343 5.325 379 HA LYS 53 HA LYS 53 8.362 -4.156 3.387 380 HB2 LYS 53 1HB LYS 53 8.774 -3.669 5.640 381 HB3 LYS 53 2HB LYS 53 8.666 -5.350 6.141 382 HG2 LYS 53 1HG LYS 53 10.812 -5.867 5.078 383 HG3 LYS 53 2HG LYS 53 10.972 -4.183 4.528 384 HD2 LYS 53 1HD LYS 53 11.222 -3.381 6.776 385 HD3 LYS 53 2HD LYS 53 10.497 -4.844 7.453 386 HE2 LYS 53 1HE LYS 53 12.741 -5.079 7.948 387 HE3 LYS 53 2HE LYS 53 12.420 -6.177 6.601 388 HZ1 LYS 53 3HZ LYS 53 14.508 -4.858 6.364 389 HZ2 LYS 53 1HZ LYS 53 13.647 -3.477 6.284 390 HZ3 LYS 53 2HZ LYS 53 13.523 -4.612 5.102 391 H VAL 54 H VAL 54 8.379 -7.555 4.644 392 HA VAL 54 HA VAL 54 10.414 -8.471 2.908 393 HB VAL 54 HB VAL 54 8.070 -10.028 4.057 394 HG11 VAL 54 1HG1 VAL 54 10.638 -11.006 2.720 395 HG12 VAL 54 2HG1 VAL 54 9.558 -12.032 3.700 396 HG13 VAL 54 3HG1 VAL 54 8.975 -11.327 2.194 397 HG21 VAL 54 3HG2 VAL 54 10.992 -9.853 4.908 398 HG22 VAL 54 1HG2 VAL 54 9.665 -8.999 5.708 399 HG23 VAL 54 2HG2 VAL 54 9.689 -10.764 5.717 400 H HIS 55 H HIS 55 6.879 -8.327 2.244 401 HA HIS 55 HA HIS 55 6.943 -9.498 -0.322 402 HB2 HIS 55 1HB HIS 55 4.843 -9.100 0.770 403 HB3 HIS 55 2HB HIS 55 5.163 -7.378 0.927 404 HD1 HIS 55 1HD HIS 55 4.202 -9.922 -1.795 405 HD2 HIS 55 2HD HIS 55 4.538 -5.787 -1.099 406 HE1 HIS 55 1HE HIS 55 3.234 -8.789 -3.849 407 H ILE 56 H ILE 56 7.451 -6.021 0.516 408 HA ILE 56 HA ILE 56 7.942 -5.292 -2.269 409 HB ILE 56 HB ILE 56 8.547 -3.865 0.328 410 HG12 ILE 56 1HG1 ILE 56 6.297 -3.320 -1.653 411 HG13 ILE 56 2HG1 ILE 56 6.090 -4.331 -0.233 412 HG21 ILE 56 1HG2 ILE 56 8.541 -2.774 -2.526 413 HG22 ILE 56 2HG2 ILE 56 8.848 -1.834 -1.053 414 HG23 ILE 56 3HG2 ILE 56 9.999 -3.067 -1.547 415 HD11 ILE 56 3HD1 ILE 56 6.677 -2.466 1.252 416 HD12 ILE 56 1HD1 ILE 56 6.812 -1.387 -0.159 417 HD13 ILE 56 2HD1 ILE 56 5.258 -2.130 0.245 418 H GLU 57 H GLU 57 10.041 -6.222 0.427 419 HA GLU 57 HA GLU 57 12.551 -5.749 -0.889 420 HB2 GLU 57 1HB GLU 57 11.781 -7.610 1.371 421 HB3 GLU 57 2HB GLU 57 13.428 -7.230 0.950 422 HG2 GLU 57 1HG GLU 57 11.724 -4.834 1.509 423 HG3 GLU 57 2HG GLU 57 11.937 -5.956 2.850 424 H ARG 58 H ARG 58 10.258 -8.224 -1.408 425 HA ARG 58 HA ARG 58 12.298 -9.929 -2.814 426 HB2 ARG 58 1HB ARG 58 11.159 -11.854 -2.296 427 HB3 ARG 58 2HB ARG 58 10.968 -10.879 -0.852 428 HG2 ARG 58 1HG ARG 58 8.682 -10.203 -1.721 429 HG3 ARG 58 2HG ARG 58 8.902 -11.431 -2.987 430 HD2 ARG 58 1HD ARG 58 9.194 -13.132 -1.145 431 HD3 ARG 58 2HD ARG 58 8.778 -11.855 0.011 432 HE ARG 58 HE ARG 58 6.967 -12.735 -2.227 433 HH11 ARG 58 2HH1 ARG 58 7.247 -12.051 1.195 434 HH12 ARG 58 1HH1 ARG 58 5.524 -12.132 1.436 435 HH21 ARG 58 2HH2 ARG 58 4.809 -12.912 -1.828 436 HH22 ARG 58 1HH2 ARG 58 4.195 -12.645 -0.224 437 H VAL 59 H VAL 59 9.036 -8.522 -3.231 438 HA VAL 59 HA VAL 59 8.977 -9.566 -5.951 439 HB VAL 59 HB VAL 59 6.875 -7.865 -4.556 440 HG11 VAL 59 1HG1 VAL 59 6.718 -9.593 -7.065 441 HG12 VAL 59 2HG1 VAL 59 5.354 -8.762 -6.287 442 HG13 VAL 59 3HG1 VAL 59 6.647 -7.817 -7.019 443 HG21 VAL 59 3HG2 VAL 59 7.145 -10.888 -4.840 444 HG22 VAL 59 1HG2 VAL 59 7.047 -9.935 -3.336 445 HG23 VAL 59 2HG2 VAL 59 5.641 -10.066 -4.378 446 H HIS 60 H HIS 60 8.939 -6.338 -4.403 447 HA HIS 60 HA HIS 60 9.325 -5.023 -7.034 448 HB2 HIS 60 1HB HIS 60 8.434 -3.795 -4.439 449 HB3 HIS 60 2HB HIS 60 8.340 -3.086 -6.049 450 HD1 HIS 60 1HD HIS 60 6.585 -4.583 -7.780 451 HD2 HIS 60 2HD HIS 60 6.334 -5.016 -3.607 452 HE1 HIS 60 1HE HIS 60 4.287 -5.571 -7.328 453 H LYS 61 H LYS 61 11.448 -6.231 -5.251 454 HA LYS 61 HA LYS 61 13.204 -4.222 -4.264 455 HB2 LYS 61 1HB LYS 61 13.333 -6.507 -3.569 456 HB3 LYS 61 2HB LYS 61 13.560 -7.085 -5.207 457 HG2 LYS 61 1HG LYS 61 15.624 -7.272 -3.992 458 HG3 LYS 61 2HG LYS 61 15.804 -6.149 -5.325 459 HD2 LYS 61 1HD LYS 61 17.011 -5.429 -3.315 460 HD3 LYS 61 2HD LYS 61 15.797 -4.239 -3.779 461 HE2 LYS 61 1HE LYS 61 14.269 -5.040 -2.054 462 HE3 LYS 61 2HE LYS 61 15.363 -6.370 -1.646 463 HZ1 LYS 61 3HZ LYS 61 15.559 -4.500 -0.109 464 HZ2 LYS 61 1HZ LYS 61 16.013 -3.486 -1.310 465 HZ3 LYS 61 2HZ LYS 61 16.982 -4.739 -0.884 466 H LYS 62 H LYS 62 14.699 -3.001 -5.127 467 HA LYS 62 HA LYS 62 15.817 -1.723 -6.587 468 HB2 LYS 62 1HB LYS 62 17.095 -3.946 -6.481 469 HB3 LYS 62 2HB LYS 62 16.484 -4.266 -8.104 470 HG2 LYS 62 1HG LYS 62 17.595 -2.158 -8.897 471 HG3 LYS 62 2HG LYS 62 18.164 -1.859 -7.245 472 HD2 LYS 62 1HD LYS 62 19.447 -3.984 -7.302 473 HD3 LYS 62 2HD LYS 62 18.868 -4.289 -8.955 474 HE2 LYS 62 1HE LYS 62 19.941 -2.180 -9.715 475 HE3 LYS 62 2HE LYS 62 20.516 -1.875 -8.070 476 HZ1 LYS 62 3HZ LYS 62 21.295 -4.210 -9.739 477 HZ2 LYS 62 1HZ LYS 62 21.825 -3.928 -8.217 478 HZ3 LYS 62 2HZ LYS 62 22.238 -2.916 -9.428 479 H ILE 63 H ILE 63 13.331 -1.393 -7.022 480 HA ILE 63 HA ILE 63 13.062 -1.008 -9.970 481 HB ILE 63 HB ILE 63 11.228 -2.262 -8.517 482 HG12 ILE 63 1HG1 ILE 63 10.493 -0.227 -10.658 483 HG13 ILE 63 2HG1 ILE 63 11.196 -1.821 -10.951 484 HG21 ILE 63 1HG2 ILE 63 10.934 -0.283 -6.943 485 HG22 ILE 63 2HG2 ILE 63 10.199 0.604 -8.309 486 HG23 ILE 63 3HG2 ILE 63 9.451 -0.878 -7.683 487 HD11 ILE 63 3HD1 ILE 63 8.821 -1.960 -11.317 488 HD12 ILE 63 1HD1 ILE 63 9.203 -2.875 -9.845 489 HD13 ILE 63 2HD1 ILE 63 8.461 -1.260 -9.733 490 H LYS 64 H LYS 64 12.315 1.049 -10.710 491 HA LYS 64 HA LYS 64 12.389 3.358 -8.860 492 HB2 LYS 64 1HB LYS 64 13.985 4.616 -10.173 493 HB3 LYS 64 2HB LYS 64 14.700 3.149 -9.523 494 HG2 LYS 64 1HG LYS 64 14.249 2.087 -11.859 495 HG3 LYS 64 2HG LYS 64 13.898 3.731 -12.396 496 HD2 LYS 64 1HD LYS 64 16.152 3.257 -12.981 497 HD3 LYS 64 2HD LYS 64 16.207 4.409 -11.641 498 HE2 LYS 64 1HE LYS 64 16.655 2.545 -10.055 499 HE3 LYS 64 2HE LYS 64 16.546 1.384 -11.385 500 HZ1 LYS 64 3HZ LYS 64 18.854 1.960 -10.898 501 HZ2 LYS 64 1HZ LYS 64 18.582 3.544 -11.171 502 HZ3 LYS 64 2HZ LYS 64 18.480 2.470 -12.401 503 H GLN 65 H GLN 65 10.709 4.618 -9.231 504 HA GLN 65 HA GLN 65 9.110 4.298 -11.661 505 HB2 GLN 65 1HB GLN 65 8.849 6.356 -9.426 506 HB3 GLN 65 2HB GLN 65 7.747 6.151 -10.768 507 HG2 GLN 65 1HG GLN 65 6.743 5.125 -8.910 508 HG3 GLN 65 2HG GLN 65 7.219 3.841 -10.020 509 HE21 GLN 65 1HE2 GLN 65 8.705 5.673 -7.239 510 HE22 GLN 65 2HE2 GLN 65 9.249 4.213 -6.428 511 H HIS 66 H HIS 66 9.353 5.576 -13.527 512 HA HIS 66 HA HIS 66 11.170 7.924 -13.393 513 HB2 HIS 66 1HB HIS 66 12.460 7.025 -15.304 514 HB3 HIS 66 2HB HIS 66 12.638 6.101 -13.816 515 HD1 HIS 66 1HD HIS 66 11.558 3.593 -13.797 516 HD2 HIS 66 2HD HIS 66 11.237 5.783 -17.390 517 HE1 HIS 66 1HE HIS 66 10.891 1.922 -15.601 518 H CYS 67 H CYS 67 10.896 9.500 -14.778 519 HA CYS 67 HA CYS 67 8.406 9.817 -16.133 520 HB2 CYS 67 1HB CYS 67 9.680 11.604 -15.060 521 HB3 CYS 67 2HB CYS 67 10.974 11.425 -16.253 522 H ARG 68 H ARG 68 7.794 9.789 -18.137 523 HA ARG 68 HA ARG 68 9.218 8.198 -20.153 524 HB2 ARG 68 1HB ARG 68 6.861 7.899 -19.766 525 HB3 ARG 68 2HB ARG 68 6.503 9.599 -20.029 526 HG2 ARG 68 1HG ARG 68 7.787 8.030 -22.246 527 HG3 ARG 68 2HG ARG 68 6.081 7.748 -21.882 528 HD2 ARG 68 1HD ARG 68 5.497 10.018 -22.316 529 HD3 ARG 68 2HD ARG 68 7.172 10.519 -22.509 530 HE ARG 68 HE ARG 68 5.467 9.192 -24.462 531 HH11 ARG 68 2HH1 ARG 68 8.872 9.699 -23.681 532 HH12 ARG 68 1HH1 ARG 68 9.344 9.522 -25.352 533 HH21 ARG 68 2HH2 ARG 68 6.178 8.946 -26.538 534 HH22 ARG 68 1HH2 ARG 68 7.870 9.086 -26.908 535 H PHE 69 H PHE 69 8.890 11.550 -19.457 536 HA PHE 69 HA PHE 69 9.522 12.374 -22.256 537 HB2 PHE 69 1HB PHE 69 8.439 13.907 -19.896 538 HB3 PHE 69 2HB PHE 69 8.618 14.538 -21.525 539 HD1 PHE 69 1HD PHE 69 6.692 12.188 -19.361 540 HD2 PHE 69 2HD PHE 69 7.004 13.979 -23.272 541 HE1 PHE 69 1HE PHE 69 4.361 11.516 -19.853 542 HE2 PHE 69 2HE PHE 69 4.670 13.293 -23.765 543 HZ PHE 69 HZ PHE 69 3.331 12.091 -22.044 544 H CYS 70 H CYS 70 10.805 12.755 -18.950 545 HA CYS 70 HA CYS 70 13.237 14.045 -20.095 546 HB2 CYS 70 1HB CYS 70 13.415 15.556 -18.283 547 HB3 CYS 70 2HB CYS 70 11.866 15.760 -19.091 548 H LYS 71 H LYS 71 12.280 11.280 -18.771 549 HA LYS 71 HA LYS 71 13.211 9.531 -17.678 550 HB2 LYS 71 1HB LYS 71 15.887 10.674 -18.509 551 HB3 LYS 71 2HB LYS 71 15.495 8.992 -18.177 552 HG2 LYS 71 1HG LYS 71 14.497 10.644 -20.536 553 HG3 LYS 71 2HG LYS 71 15.728 9.386 -20.557 554 HD2 LYS 71 1HD LYS 71 14.007 7.691 -19.891 555 HD3 LYS 71 2HD LYS 71 12.785 8.966 -19.885 556 HE2 LYS 71 1HE LYS 71 12.540 7.819 -21.942 557 HE3 LYS 71 2HE LYS 71 13.222 9.409 -22.297 558 HZ1 LYS 71 3HZ LYS 71 14.784 6.877 -22.147 559 HZ2 LYS 71 1HZ LYS 71 15.410 8.343 -22.516 560 HZ3 LYS 71 2HZ LYS 71 14.349 7.630 -23.526 561 H LYS 72 H LYS 72 12.958 12.109 -16.070 562 HA LYS 72 HA LYS 72 14.854 11.952 -13.914 563 HB2 LYS 72 1HB LYS 72 13.354 13.911 -14.557 564 HB3 LYS 72 2HB LYS 72 11.999 13.025 -13.883 565 HG2 LYS 72 1HG LYS 72 13.006 13.054 -11.660 566 HG3 LYS 72 2HG LYS 72 14.517 13.729 -12.297 567 HD2 LYS 72 1HD LYS 72 13.435 15.825 -12.870 568 HD3 LYS 72 2HD LYS 72 11.836 15.169 -12.494 569 HE2 LYS 72 1HE LYS 72 12.641 14.768 -10.120 570 HE3 LYS 72 2HE LYS 72 14.125 15.643 -10.532 571 HZ1 LYS 72 3HZ LYS 72 11.367 16.737 -10.652 572 HZ2 LYS 72 1HZ LYS 72 12.714 17.582 -11.063 573 HZ3 LYS 72 2HZ LYS 72 12.481 17.113 -9.516 574 H LYS 73 H LYS 73 14.795 10.819 -11.992 575 HA LYS 73 HA LYS 73 12.838 8.579 -11.756 576 HB2 LYS 73 1HB LYS 73 15.599 9.060 -10.633 577 HB3 LYS 73 2HB LYS 73 14.474 8.041 -9.753 578 HG2 LYS 73 1HG LYS 73 15.813 6.634 -11.121 579 HG3 LYS 73 2HG LYS 73 14.145 6.579 -11.673 580 HD2 LYS 73 1HD LYS 73 15.633 6.539 -13.571 581 HD3 LYS 73 2HD LYS 73 14.722 8.048 -13.592 582 HE2 LYS 73 1HE LYS 73 16.685 9.230 -12.589 583 HE3 LYS 73 2HE LYS 73 17.579 7.704 -12.546 584 HZ1 LYS 73 3HZ LYS 73 18.133 9.039 -14.514 585 HZ2 LYS 73 1HZ LYS 73 16.573 9.018 -15.019 586 HZ3 LYS 73 2HZ LYS 73 17.446 7.631 -14.975 587 H TYR 74 H TYR 74 11.568 8.221 -10.046 588 HA TYR 74 HA TYR 74 11.116 10.488 -8.138 589 HB2 TYR 74 1HB TYR 74 9.261 9.210 -10.130 590 HB3 TYR 74 2HB TYR 74 8.605 9.720 -8.583 591 HD1 TYR 74 1HD TYR 74 10.413 10.996 -11.624 592 HD2 TYR 74 2HD TYR 74 8.259 11.979 -8.012 593 HE1 TYR 74 1HE TYR 74 10.507 13.405 -12.226 594 HE2 TYR 74 2HE TYR 74 8.391 14.394 -8.593 595 HH TYR 74 HH TYR 74 9.190 15.939 -10.016 596 H SER 75 H SER 75 10.871 10.010 -6.090 597 HA SER 75 HA SER 75 11.193 7.325 -5.121 598 HB2 SER 75 1HB SER 75 10.458 9.850 -3.595 599 HB3 SER 75 2HB SER 75 11.116 8.350 -2.912 600 HG SER 75 HG SER 75 12.748 9.935 -3.256 601 H ASP 76 H ASP 76 8.339 9.196 -5.773 602 HA ASP 76 HA ASP 76 6.582 7.062 -4.652 603 HB2 ASP 76 1HB ASP 76 6.210 10.069 -4.304 604 HB3 ASP 76 2HB ASP 76 4.994 8.851 -3.941 605 H VAL 77 H VAL 77 5.083 6.402 -6.126 606 HA VAL 77 HA VAL 77 5.290 7.349 -8.803 607 HB VAL 77 HB VAL 77 4.632 5.038 -8.076 608 HG11 VAL 77 1HG1 VAL 77 1.806 6.134 -7.803 609 HG12 VAL 77 2HG1 VAL 77 2.334 4.449 -7.681 610 HG13 VAL 77 3HG1 VAL 77 2.835 5.610 -6.446 611 HG21 VAL 77 3HG2 VAL 77 3.222 4.626 -10.018 612 HG22 VAL 77 1HG2 VAL 77 2.805 6.351 -10.129 613 HG23 VAL 77 2HG2 VAL 77 4.480 5.810 -10.405 614 H LYS 78 H LYS 78 2.863 8.180 -6.318 615 HA LYS 78 HA LYS 78 1.062 9.580 -8.053 616 HB2 LYS 78 1HB LYS 78 1.698 10.125 -5.117 617 HB3 LYS 78 2HB LYS 78 0.283 10.707 -5.988 618 HG2 LYS 78 1HG LYS 78 0.931 7.791 -5.371 619 HG3 LYS 78 2HG LYS 78 -0.266 8.803 -4.565 620 HD2 LYS 78 1HD LYS 78 -1.514 9.018 -6.726 621 HD3 LYS 78 2HD LYS 78 -0.351 7.904 -7.481 622 HE2 LYS 78 1HE LYS 78 -0.930 6.160 -5.820 623 HE3 LYS 78 2HE LYS 78 -2.079 7.262 -5.051 624 HZ1 LYS 78 3HZ LYS 78 -3.197 5.761 -6.594 625 HZ2 LYS 78 1HZ LYS 78 -2.287 6.270 -7.848 626 HZ3 LYS 78 2HZ LYS 78 -3.347 7.292 -7.134 627 H ASN 79 H ASN 79 4.095 10.643 -6.598 628 HA ASN 79 HA ASN 79 3.735 13.388 -7.529 629 HB2 ASN 79 1HB ASN 79 6.064 11.892 -6.260 630 HB3 ASN 79 2HB ASN 79 6.208 13.553 -6.828 631 HD21 ASN 79 1HD2 ASN 79 6.442 12.543 -4.053 632 HD22 ASN 79 2HD2 ASN 79 5.234 13.461 -3.169 633 H LEU 80 H LEU 80 5.121 10.457 -8.936 634 HA LEU 80 HA LEU 80 6.406 11.799 -11.143 635 HB2 LEU 80 1HB LEU 80 6.823 9.411 -10.561 636 HB3 LEU 80 2HB LEU 80 5.155 9.030 -10.988 637 HG LEU 80 HG LEU 80 5.570 9.747 -13.333 638 HD11 LEU 80 1HD1 LEU 80 7.873 10.014 -14.090 639 HD12 LEU 80 2HD1 LEU 80 8.475 9.854 -12.429 640 HD13 LEU 80 3HD1 LEU 80 7.510 11.269 -12.917 641 HD21 LEU 80 3HD2 LEU 80 7.528 7.641 -12.380 642 HD22 LEU 80 1HD2 LEU 80 6.805 7.791 -13.991 643 HD23 LEU 80 2HD2 LEU 80 5.781 7.368 -12.611 644 H ILE 81 H ILE 81 3.065 10.525 -10.652 645 HA ILE 81 HA ILE 81 2.041 11.296 -13.199 646 HB ILE 81 HB ILE 81 0.435 11.341 -10.630 647 HG12 ILE 81 1HG1 ILE 81 1.460 9.264 -10.503 648 HG13 ILE 81 2HG1 ILE 81 -0.155 8.988 -11.075 649 HG21 ILE 81 1HG2 ILE 81 -0.304 10.839 -13.538 650 HG22 ILE 81 2HG2 ILE 81 -1.416 10.715 -12.155 651 HG23 ILE 81 3HG2 ILE 81 -0.698 12.277 -12.573 652 HD11 ILE 81 3HD1 ILE 81 1.383 7.527 -12.262 653 HD12 ILE 81 1HD1 ILE 81 0.698 8.700 -13.404 654 HD13 ILE 81 2HD1 ILE 81 2.358 8.906 -12.797 655 H LYS 82 H LYS 82 2.033 13.071 -10.091 656 HA LYS 82 HA LYS 82 0.864 15.479 -10.975 657 HB2 LYS 82 1HB LYS 82 1.314 14.721 -8.622 658 HB3 LYS 82 2HB LYS 82 3.036 15.017 -8.875 659 HG2 LYS 82 1HG LYS 82 2.514 17.450 -9.252 660 HG3 LYS 82 2HG LYS 82 0.833 17.116 -8.799 661 HD2 LYS 82 1HD LYS 82 3.294 16.575 -7.066 662 HD3 LYS 82 2HD LYS 82 2.255 17.995 -6.916 663 HE2 LYS 82 1HE LYS 82 0.371 16.683 -6.204 664 HE3 LYS 82 2HE LYS 82 1.172 15.162 -6.622 665 HZ1 LYS 82 3HZ LYS 82 2.158 16.981 -4.500 666 HZ2 LYS 82 1HZ LYS 82 2.744 15.486 -4.868 667 HZ3 LYS 82 2HZ LYS 82 1.254 15.649 -4.226 668 H HIS 83 H HIS 83 4.343 14.596 -10.980 669 HA HIS 83 HA HIS 83 5.368 16.961 -12.196 670 HB2 HIS 83 1HB HIS 83 6.861 15.414 -11.188 671 HB3 HIS 83 2HB HIS 83 6.238 14.056 -12.108 672 HD1 HIS 83 1HD HIS 83 8.454 17.151 -12.672 673 HD2 HIS 83 2HD HIS 83 7.306 13.509 -14.427 674 HE1 HIS 83 1HE HIS 83 10.011 16.826 -14.645 675 H ILE 84 H ILE 84 4.100 13.979 -13.808 676 HA ILE 84 HA ILE 84 4.547 14.970 -16.472 677 HB ILE 84 HB ILE 84 2.697 12.881 -15.315 678 HG12 ILE 84 1HG1 ILE 84 5.094 12.516 -17.158 679 HG13 ILE 84 2HG1 ILE 84 5.272 12.606 -15.408 680 HG21 ILE 84 1HG2 ILE 84 2.278 12.116 -17.668 681 HG22 ILE 84 2HG2 ILE 84 1.563 13.685 -17.334 682 HG23 ILE 84 3HG2 ILE 84 3.077 13.587 -18.260 683 HD11 ILE 84 3HD1 ILE 84 3.665 10.511 -16.906 684 HD12 ILE 84 1HD1 ILE 84 5.184 10.292 -16.015 685 HD13 ILE 84 2HD1 ILE 84 3.694 10.705 -15.136 686 H ARG 85 H ARG 85 1.661 15.180 -14.366 687 HA ARG 85 HA ARG 85 0.064 16.722 -16.203 688 HB2 ARG 85 1HB ARG 85 -0.022 16.555 -13.160 689 HB3 ARG 85 2HB ARG 85 -1.251 17.332 -14.169 690 HG2 ARG 85 1HG ARG 85 -1.572 15.155 -15.381 691 HG3 ARG 85 2HG ARG 85 -0.532 14.365 -14.203 692 HD2 ARG 85 1HD ARG 85 -3.080 15.893 -13.586 693 HD3 ARG 85 2HD ARG 85 -2.948 14.134 -13.737 694 HE ARG 85 HE ARG 85 -1.452 15.708 -11.660 695 HH11 ARG 85 2HH1 ARG 85 -3.653 13.059 -12.314 696 HH12 ARG 85 1HH1 ARG 85 -3.636 12.525 -10.658 697 HH21 ARG 85 2HH2 ARG 85 -1.486 14.966 -9.565 698 HH22 ARG 85 1HH2 ARG 85 -2.429 13.565 -9.163 699 H ASP 86 H ASP 86 2.556 17.791 -14.024 700 HA ASP 86 HA ASP 86 1.879 20.650 -14.389 701 HB2 ASP 86 1HB ASP 86 4.030 19.207 -12.807 702 HB3 ASP 86 2HB ASP 86 3.957 20.957 -12.958 703 H ALA 87 H ALA 87 4.570 18.496 -15.390 704 HA ALA 87 HA ALA 87 5.849 20.757 -16.828 705 HB1 ALA 87 1HB ALA 87 7.114 19.488 -15.113 706 HB2 ALA 87 2HB ALA 87 6.916 18.006 -16.077 707 HB3 ALA 87 3HB ALA 87 7.847 19.367 -16.725 708 H HIS 88 H HIS 88 4.217 17.718 -17.564 709 HA HIS 88 HA HIS 88 4.984 17.950 -20.437 710 HB2 HIS 88 1HB HIS 88 4.602 15.404 -18.841 711 HB3 HIS 88 2HB HIS 88 5.174 15.555 -20.491 712 HD1 HIS 88 1HD HIS 88 7.604 17.407 -20.373 713 HD2 HIS 88 2HD HIS 88 6.533 14.724 -17.326 714 HE1 HIS 88 1HE HIS 88 9.750 16.926 -19.090 715 H ASP 89 H ASP 89 2.516 18.860 -18.972 716 HA ASP 89 HA ASP 89 0.334 17.301 -19.272 717 HB2 ASP 89 1HB ASP 89 -1.021 19.252 -19.173 718 HB3 ASP 89 2HB ASP 89 0.398 19.482 -18.168 719 HA PRO 90 HA PRO 90 -0.301 16.747 -23.634 720 HB2 PRO 90 1HB PRO 90 -2.720 15.494 -23.667 721 HB3 PRO 90 2HB PRO 90 -1.241 14.735 -22.994 722 HG2 PRO 90 1HG PRO 90 -3.441 16.190 -21.488 723 HG3 PRO 90 2HG PRO 90 -2.716 14.593 -21.115 724 HD2 PRO 90 1HD PRO 90 -1.896 16.891 -19.879 725 HD3 PRO 90 2HD PRO 90 -0.742 15.586 -20.272 726 H GLN 91 H GLN 91 -1.458 17.475 -25.455 727 HA GLN 91 HA GLN 91 -3.742 19.315 -25.127 728 HB2 GLN 91 1HB GLN 91 -1.760 20.734 -25.178 729 HB3 GLN 91 2HB GLN 91 -1.148 19.902 -26.621 730 HG2 GLN 91 1HG GLN 91 -3.041 20.694 -27.933 731 HG3 GLN 91 2HG GLN 91 -3.777 21.430 -26.505 732 HE21 GLN 91 1HE2 GLN 91 -3.614 23.201 -28.423 733 HE22 GLN 91 2HE2 GLN 91 -2.212 24.253 -28.257 734 H ASP 92 H ASP 92 -5.276 18.953 -26.611 735 HA ASP 92 HA ASP 92 -4.995 16.827 -28.617 736 HB2 ASP 92 1HB ASP 92 -6.979 16.960 -27.192 737 HB3 ASP 92 2HB ASP 92 -7.355 18.562 -27.819 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 12.585 -38.844 6.026 2 H2 GLY 1 2H GLY 1 11.750 -40.157 6.535 3 H3 GLY 1 3H GLY 1 12.037 -38.917 7.568 4 HA2 GLY 1 1HA GLY 1 9.746 -38.854 6.826 5 HA3 GLY 1 2HA GLY 1 10.655 -37.428 6.289 6 H SER 2 H SER 2 8.333 -39.270 5.242 7 HA SER 2 HA SER 2 9.207 -39.385 2.377 8 HB2 SER 2 1HB SER 2 7.667 -41.542 3.876 9 HB3 SER 2 2HB SER 2 8.046 -41.539 2.145 10 HG SER 2 HG SER 2 9.538 -42.795 3.361 11 H SER 3 H SER 3 7.361 -39.544 0.843 12 HA SER 3 HA SER 3 5.416 -37.552 1.199 13 HB2 SER 3 1HB SER 3 5.280 -39.975 -0.638 14 HB3 SER 3 2HB SER 3 4.342 -38.477 -0.800 15 HG SER 3 HG SER 3 6.225 -38.482 -2.130 16 H GLY 4 H GLY 4 3.613 -37.435 2.367 17 HA2 GLY 4 1HA GLY 4 1.633 -37.986 3.403 18 HA3 GLY 4 2HA GLY 4 1.695 -39.583 2.661 19 H SER 5 H SER 5 4.553 -38.983 4.496 20 HA SER 5 HA SER 5 3.784 -40.988 6.447 21 HB2 SER 5 1HB SER 5 6.027 -40.839 7.287 22 HB3 SER 5 2HB SER 5 6.048 -40.881 5.522 23 HG SER 5 HG SER 5 6.380 -38.633 5.515 24 H SER 6 H SER 6 3.275 -37.635 6.509 25 HA SER 6 HA SER 6 2.641 -37.722 9.411 26 HB2 SER 6 1HB SER 6 3.517 -35.447 9.703 27 HB3 SER 6 2HB SER 6 4.782 -36.608 9.267 28 HG SER 6 HG SER 6 4.965 -34.658 8.074 29 H GLY 7 H GLY 7 1.032 -36.316 10.123 30 HA2 GLY 7 1HA GLY 7 -1.069 -35.669 8.126 31 HA3 GLY 7 2HA GLY 7 -1.245 -35.790 9.870 32 H LYS 8 H LYS 8 -2.424 -33.854 9.792 33 HA LYS 8 HA LYS 8 -2.836 -31.639 10.026 34 HB2 LYS 8 1HB LYS 8 -0.030 -31.663 11.148 35 HB3 LYS 8 2HB LYS 8 -1.199 -30.352 11.345 36 HG2 LYS 8 1HG LYS 8 -2.775 -31.884 12.478 37 HG3 LYS 8 2HG LYS 8 -1.607 -33.210 12.318 38 HD2 LYS 8 1HD LYS 8 0.033 -31.950 13.676 39 HD3 LYS 8 2HD LYS 8 -1.115 -30.603 13.824 40 HE2 LYS 8 1HE LYS 8 -2.741 -32.122 14.943 41 HE3 LYS 8 2HE LYS 8 -1.584 -33.453 14.811 42 HZ1 LYS 8 3HZ LYS 8 -1.125 -30.944 16.341 43 HZ2 LYS 8 1HZ LYS 8 -0.057 -32.178 16.223 44 HZ3 LYS 8 2HZ LYS 8 -1.477 -32.396 16.997 45 HA PRO 9 HA PRO 9 -0.722 -30.556 5.982 46 HB2 PRO 9 1HB PRO 9 -3.077 -30.107 4.558 47 HB3 PRO 9 2HB PRO 9 -2.229 -31.662 4.713 48 HG2 PRO 9 1HG PRO 9 -4.590 -30.740 6.298 49 HG3 PRO 9 2HG PRO 9 -4.333 -32.317 5.497 50 HD2 PRO 9 1HD PRO 9 -3.838 -31.981 8.135 51 HD3 PRO 9 2HD PRO 9 -2.762 -32.989 7.129 52 H TYR 10 H TYR 10 -3.347 -28.944 7.757 53 HA TYR 10 HA TYR 10 -2.966 -26.424 6.336 54 HB2 TYR 10 1HB TYR 10 -4.665 -27.139 8.739 55 HB3 TYR 10 2HB TYR 10 -4.723 -25.618 7.852 56 HD1 TYR 10 1HD TYR 10 -5.494 -29.233 7.742 57 HD2 TYR 10 2HD TYR 10 -5.704 -25.511 5.583 58 HE1 TYR 10 1HE TYR 10 -7.183 -30.222 6.224 59 HE2 TYR 10 2HE TYR 10 -7.357 -26.529 4.008 60 HH TYR 10 HH TYR 10 -8.591 -28.385 3.477 61 H LYS 11 H LYS 11 -1.111 -25.383 6.728 62 HA LYS 11 HA LYS 11 0.034 -25.157 9.483 63 HB2 LYS 11 1HB LYS 11 1.193 -24.917 6.696 64 HB3 LYS 11 2HB LYS 11 1.957 -24.076 8.032 65 HG2 LYS 11 1HG LYS 11 3.101 -26.109 7.744 66 HG3 LYS 11 2HG LYS 11 2.235 -26.180 9.277 67 HD2 LYS 11 1HD LYS 11 0.497 -27.602 8.246 68 HD3 LYS 11 2HD LYS 11 1.309 -27.499 6.679 69 HE2 LYS 11 1HE LYS 11 2.529 -28.682 9.219 70 HE3 LYS 11 2HE LYS 11 1.706 -29.626 7.977 71 HZ1 LYS 11 3HZ LYS 11 4.087 -29.662 7.616 72 HZ2 LYS 11 1HZ LYS 11 4.177 -28.038 7.531 73 HZ3 LYS 11 2HZ LYS 11 3.385 -28.877 6.371 74 H CYS 12 H CYS 12 0.658 -23.233 10.407 75 HA CYS 12 HA CYS 12 -0.807 -20.830 9.673 76 HB2 CYS 12 1HB CYS 12 -0.545 -21.516 11.961 77 HB3 CYS 12 2HB CYS 12 1.218 -21.482 11.815 78 HA PRO 13 HA PRO 13 2.663 -19.258 7.211 79 HB2 PRO 13 1HB PRO 13 1.688 -16.802 6.578 80 HB3 PRO 13 2HB PRO 13 0.975 -18.305 5.918 81 HG2 PRO 13 1HG PRO 13 0.008 -16.643 8.257 82 HG3 PRO 13 2HG PRO 13 -0.951 -17.321 6.906 83 HD2 PRO 13 1HD PRO 13 -0.677 -18.542 9.391 84 HD3 PRO 13 2HD PRO 13 -0.982 -19.447 7.881 85 H GLN 14 H GLN 14 1.683 -18.179 10.335 86 HA GLN 14 HA GLN 14 3.884 -16.159 10.492 87 HB2 GLN 14 1HB GLN 14 1.410 -16.360 12.235 88 HB3 GLN 14 2HB GLN 14 2.633 -15.098 12.233 89 HG2 GLN 14 1HG GLN 14 1.900 -15.018 9.601 90 HG3 GLN 14 2HG GLN 14 0.418 -15.668 10.297 91 HE21 GLN 14 1HE2 GLN 14 -0.759 -13.713 9.684 92 HE22 GLN 14 2HE2 GLN 14 -0.493 -12.226 10.585 93 H CYS 15 H CYS 15 2.715 -19.164 11.985 94 HA CYS 15 HA CYS 15 5.282 -19.244 13.466 95 HB2 CYS 15 1HB CYS 15 4.310 -19.746 15.585 96 HB3 CYS 15 2HB CYS 15 3.641 -18.226 15.011 97 H SER 16 H SER 16 5.284 -21.473 14.768 98 HA SER 16 HA SER 16 5.520 -23.490 12.741 99 HB2 SER 16 1HB SER 16 5.733 -23.780 15.758 100 HB3 SER 16 2HB SER 16 6.371 -24.898 14.538 101 HG SER 16 HG SER 16 7.985 -23.463 15.325 102 H TYR 17 H TYR 17 2.683 -22.558 14.144 103 HA TYR 17 HA TYR 17 1.440 -24.950 15.018 104 HB2 TYR 17 1HB TYR 17 0.602 -22.745 15.520 105 HB3 TYR 17 2HB TYR 17 0.334 -22.392 13.825 106 HD1 TYR 17 1HD TYR 17 -0.759 -24.453 16.733 107 HD2 TYR 17 2HD TYR 17 -1.748 -23.170 12.731 108 HE1 TYR 17 1HE TYR 17 -3.098 -25.261 17.039 109 HE2 TYR 17 2HE TYR 17 -4.090 -23.948 13.056 110 HH TYR 17 HH TYR 17 -5.629 -24.655 14.612 111 H ALA 18 H ALA 18 0.110 -26.416 14.120 112 HA ALA 18 HA ALA 18 -0.777 -26.218 11.371 113 HB1 ALA 18 1HB ALA 18 0.848 -28.649 12.239 114 HB2 ALA 18 2HB ALA 18 0.064 -28.398 10.663 115 HB3 ALA 18 3HB ALA 18 1.429 -27.377 11.146 116 H SER 19 H SER 19 -2.580 -27.574 10.906 117 HA SER 19 HA SER 19 -3.586 -29.413 12.982 118 HB2 SER 19 1HB SER 19 -4.542 -27.085 13.440 119 HB3 SER 19 2HB SER 19 -5.437 -27.259 11.919 120 HG SER 19 HG SER 19 -5.566 -28.840 14.289 121 H ALA 20 H ALA 20 -5.600 -30.546 12.217 122 HA ALA 20 HA ALA 20 -5.234 -31.462 9.437 123 HB1 ALA 20 1HB ALA 20 -5.207 -33.090 11.285 124 HB2 ALA 20 2HB ALA 20 -6.868 -32.617 11.721 125 HB3 ALA 20 3HB ALA 20 -6.539 -33.395 10.158 126 H ILE 21 H ILE 21 -7.026 -29.037 10.708 127 HA ILE 21 HA ILE 21 -9.318 -29.397 8.819 128 HB ILE 21 HB ILE 21 -9.457 -28.478 11.710 129 HG12 ILE 21 1HG1 ILE 21 -10.391 -31.079 10.416 130 HG13 ILE 21 2HG1 ILE 21 -9.127 -30.899 11.634 131 HG21 ILE 21 1HG2 ILE 21 -11.108 -27.329 10.290 132 HG22 ILE 21 2HG2 ILE 21 -11.726 -28.897 9.722 133 HG23 ILE 21 3HG2 ILE 21 -11.884 -28.393 11.424 134 HD11 ILE 21 3HD1 ILE 21 -12.105 -30.563 12.065 135 HD12 ILE 21 1HD1 ILE 21 -11.020 -31.784 12.738 136 HD13 ILE 21 2HD1 ILE 21 -10.870 -30.095 13.262 137 H LYS 22 H LYS 22 -9.851 -27.613 7.670 138 HA LYS 22 HA LYS 22 -8.212 -25.285 7.572 139 HB2 LYS 22 1HB LYS 22 -9.591 -26.202 5.712 140 HB3 LYS 22 2HB LYS 22 -11.057 -25.742 6.563 141 HG2 LYS 22 1HG LYS 22 -10.584 -24.192 4.781 142 HG3 LYS 22 2HG LYS 22 -10.483 -23.353 6.326 143 HD2 LYS 22 1HD LYS 22 -8.043 -23.323 6.223 144 HD3 LYS 22 2HD LYS 22 -8.052 -24.411 4.818 145 HE2 LYS 22 1HE LYS 22 -9.260 -22.706 3.486 146 HE3 LYS 22 2HE LYS 22 -9.230 -21.598 4.858 147 HZ1 LYS 22 3HZ LYS 22 -6.786 -21.616 4.729 148 HZ2 LYS 22 1HZ LYS 22 -7.422 -21.143 3.305 149 HZ3 LYS 22 2HZ LYS 22 -6.824 -22.650 3.459 150 H ALA 23 H ALA 23 -11.415 -25.711 9.133 151 HA ALA 23 HA ALA 23 -11.698 -23.078 10.139 152 HB1 ALA 23 1HB ALA 23 -13.311 -24.088 11.688 153 HB2 ALA 23 2HB ALA 23 -13.498 -24.767 10.063 154 HB3 ALA 23 3HB ALA 23 -12.681 -25.708 11.334 155 H ASN 24 H ASN 24 -9.837 -25.821 11.499 156 HA ASN 24 HA ASN 24 -9.192 -24.482 13.986 157 HB2 ASN 24 1HB ASN 24 -7.944 -26.856 12.520 158 HB3 ASN 24 2HB ASN 24 -7.379 -26.273 14.063 159 HD21 ASN 24 1HD2 ASN 24 -7.898 -28.719 14.191 160 HD22 ASN 24 2HD2 ASN 24 -9.446 -29.056 14.977 161 H LEU 25 H LEU 25 -7.825 -24.253 10.764 162 HA LEU 25 HA LEU 25 -5.521 -22.703 11.735 163 HB2 LEU 25 1HB LEU 25 -5.300 -24.044 9.721 164 HB3 LEU 25 2HB LEU 25 -6.621 -23.167 8.945 165 HG LEU 25 HG LEU 25 -5.302 -21.086 8.976 166 HD11 LEU 25 1HD1 LEU 25 -3.873 -21.424 10.958 167 HD12 LEU 25 2HD1 LEU 25 -2.907 -21.131 9.519 168 HD13 LEU 25 3HD1 LEU 25 -3.058 -22.787 10.151 169 HD21 LEU 25 3HD2 LEU 25 -3.741 -23.420 7.808 170 HD22 LEU 25 1HD2 LEU 25 -3.666 -21.726 7.289 171 HD23 LEU 25 2HD2 LEU 25 -5.160 -22.653 7.056 172 H ASN 26 H ASN 26 -8.751 -21.977 10.347 173 HA ASN 26 HA ASN 26 -8.371 -19.124 10.200 174 HB2 ASN 26 1HB ASN 26 -10.875 -20.845 10.425 175 HB3 ASN 26 2HB ASN 26 -10.938 -19.086 10.385 176 HD21 ASN 26 1HD2 ASN 26 -9.604 -21.841 8.538 177 HD22 ASN 26 2HD2 ASN 26 -9.839 -21.041 6.975 178 H VAL 27 H VAL 27 -9.708 -21.152 12.849 179 HA VAL 27 HA VAL 27 -10.211 -19.028 14.651 180 HB VAL 27 HB VAL 27 -10.925 -21.410 14.813 181 HG11 VAL 27 1HG1 VAL 27 -8.325 -21.935 16.224 182 HG12 VAL 27 2HG1 VAL 27 -9.688 -23.047 15.957 183 HG13 VAL 27 3HG1 VAL 27 -8.765 -22.438 14.572 184 HG21 VAL 27 3HG2 VAL 27 -11.128 -21.344 17.255 185 HG22 VAL 27 1HG2 VAL 27 -9.807 -20.156 17.354 186 HG23 VAL 27 2HG2 VAL 27 -11.340 -19.715 16.583 187 H HIS 28 H HIS 28 -7.251 -20.686 13.854 188 HA HIS 28 HA HIS 28 -5.775 -19.810 16.158 189 HB2 HIS 28 1HB HIS 28 -5.319 -21.892 15.075 190 HB3 HIS 28 2HB HIS 28 -5.009 -21.121 13.525 191 HD1 HIS 28 1HD HIS 28 -3.180 -21.632 16.843 192 HD2 HIS 28 2HD HIS 28 -2.738 -19.827 13.076 193 HE1 HIS 28 1HE HIS 28 -0.780 -20.795 16.747 194 H LEU 29 H LEU 29 -5.965 -18.699 12.763 195 HA LEU 29 HA LEU 29 -3.893 -16.743 12.864 196 HB2 LEU 29 1HB LEU 29 -6.449 -16.902 11.234 197 HB3 LEU 29 2HB LEU 29 -5.167 -15.745 10.900 198 HG LEU 29 HG LEU 29 -4.700 -18.746 10.867 199 HD11 LEU 29 1HD1 LEU 29 -6.421 -18.161 9.195 200 HD12 LEU 29 2HD1 LEU 29 -4.898 -18.605 8.413 201 HD13 LEU 29 3HD1 LEU 29 -5.361 -16.892 8.541 202 HD21 LEU 29 3HD2 LEU 29 -2.801 -18.143 9.423 203 HD22 LEU 29 1HD2 LEU 29 -2.633 -17.494 11.053 204 HD23 LEU 29 2HD2 LEU 29 -3.120 -16.421 9.715 205 H ARG 30 H ARG 30 -7.088 -16.623 14.193 206 HA ARG 30 HA ARG 30 -7.695 -13.907 14.440 207 HB2 ARG 30 1HB ARG 30 -8.009 -16.168 16.461 208 HB3 ARG 30 2HB ARG 30 -8.748 -14.597 16.672 209 HG2 ARG 30 1HG ARG 30 -10.021 -14.827 14.589 210 HG3 ARG 30 2HG ARG 30 -9.263 -16.390 14.278 211 HD2 ARG 30 1HD ARG 30 -11.510 -16.695 15.161 212 HD3 ARG 30 2HD ARG 30 -10.317 -17.360 16.262 213 HE ARG 30 HE ARG 30 -11.945 -14.889 16.652 214 HH11 ARG 30 2HH1 ARG 30 -9.696 -17.163 18.102 215 HH12 ARG 30 1HH1 ARG 30 -10.024 -16.587 19.715 216 HH21 ARG 30 2HH2 ARG 30 -12.297 -14.205 18.729 217 HH22 ARG 30 1HH2 ARG 30 -11.450 -14.951 20.052 218 H LYS 31 H LYS 31 -5.329 -15.694 16.401 219 HA LYS 31 HA LYS 31 -4.790 -13.463 18.196 220 HB2 LYS 31 1HB LYS 31 -3.318 -14.865 19.286 221 HB3 LYS 31 2HB LYS 31 -4.543 -15.954 18.639 222 HG2 LYS 31 1HG LYS 31 -2.896 -16.445 16.717 223 HG3 LYS 31 2HG LYS 31 -1.714 -15.483 17.597 224 HD2 LYS 31 1HD LYS 31 -1.286 -17.775 18.119 225 HD3 LYS 31 2HD LYS 31 -1.950 -16.999 19.562 226 HE2 LYS 31 1HE LYS 31 -4.233 -17.941 18.886 227 HE3 LYS 31 2HE LYS 31 -3.413 -18.833 17.601 228 HZ1 LYS 31 3HZ LYS 31 -3.677 -20.184 19.621 229 HZ2 LYS 31 1HZ LYS 31 -2.873 -19.097 20.522 230 HZ3 LYS 31 2HZ LYS 31 -2.079 -19.931 19.368 231 H HIS 32 H HIS 32 -3.625 -14.254 15.104 232 HA HIS 32 HA HIS 32 -1.165 -12.622 15.266 233 HB2 HIS 32 1HB HIS 32 -2.348 -14.325 13.037 234 HB3 HIS 32 2HB HIS 32 -0.816 -13.498 12.983 235 HD1 HIS 32 1HD HIS 32 0.520 -14.373 15.699 236 HD2 HIS 32 2HD HIS 32 -1.672 -16.816 13.082 237 HE1 HIS 32 1HE HIS 32 1.315 -16.739 16.144 238 H THR 33 H THR 33 -4.271 -11.693 14.933 239 HA THR 33 HA THR 33 -4.193 -10.241 12.440 240 HB THR 33 HB THR 33 -6.336 -9.241 13.176 241 HG1 THR 33 1HG THR 33 -6.344 -11.019 15.349 242 HG21 THR 33 3HG2 THR 33 -6.077 -12.259 13.423 243 HG22 THR 33 1HG2 THR 33 -6.258 -11.332 11.932 244 HG23 THR 33 2HG2 THR 33 -7.589 -11.363 13.108 245 H GLY 34 H GLY 34 -4.651 -7.959 12.180 246 HA2 GLY 34 1HA GLY 34 -3.666 -5.974 14.027 247 HA3 GLY 34 2HA GLY 34 -2.430 -6.489 12.867 248 H GLU 35 H GLU 35 -2.698 -4.070 12.387 249 HA GLU 35 HA GLU 35 -5.017 -3.199 10.877 250 HB2 GLU 35 1HB GLU 35 -3.598 -1.683 12.202 251 HB3 GLU 35 2HB GLU 35 -2.251 -1.968 11.096 252 HG2 GLU 35 1HG GLU 35 -3.442 -0.912 9.263 253 HG3 GLU 35 2HG GLU 35 -4.941 -0.863 10.193 254 H LYS 36 H LYS 36 -5.355 -2.900 8.720 255 HA LYS 36 HA LYS 36 -3.839 -4.676 6.933 256 HB2 LYS 36 1HB LYS 36 -6.262 -2.885 6.457 257 HB3 LYS 36 2HB LYS 36 -5.423 -3.798 5.190 258 HG2 LYS 36 1HG LYS 36 -5.761 -5.881 6.614 259 HG3 LYS 36 2HG LYS 36 -6.881 -4.939 7.606 260 HD2 LYS 36 1HD LYS 36 -8.334 -4.543 5.692 261 HD3 LYS 36 2HD LYS 36 -7.134 -5.241 4.576 262 HE2 LYS 36 1HE LYS 36 -7.344 -7.431 5.610 263 HE3 LYS 36 2HE LYS 36 -8.463 -6.798 6.831 264 HZ1 LYS 36 3HZ LYS 36 -10.035 -6.302 5.033 265 HZ2 LYS 36 1HZ LYS 36 -9.657 -7.888 5.017 266 HZ3 LYS 36 2HZ LYS 36 -9.004 -6.888 3.907 267 H PHE 37 H PHE 37 -2.017 -4.167 6.309 268 HA PHE 37 HA PHE 37 -1.412 -1.439 5.253 269 HB2 PHE 37 1HB PHE 37 0.515 -3.741 5.639 270 HB3 PHE 37 2HB PHE 37 0.870 -2.032 5.349 271 HD1 PHE 37 2HD PHE 37 0.238 -0.318 7.143 272 HD2 PHE 37 1HD PHE 37 0.247 -4.576 7.836 273 HE1 PHE 37 2HE PHE 37 0.352 0.077 9.589 274 HE2 PHE 37 1HE PHE 37 0.297 -4.180 10.274 275 HZ PHE 37 HZ PHE 37 0.367 -1.846 11.161 276 H ALA 38 H ALA 38 -1.791 -1.144 3.175 277 HA ALA 38 HA ALA 38 -1.736 -3.360 1.221 278 HB1 ALA 38 1HB ALA 38 -2.593 -1.694 -0.347 279 HB2 ALA 38 2HB ALA 38 -3.569 -1.690 1.135 280 HB3 ALA 38 3HB ALA 38 -2.369 -0.406 0.853 281 H CYS 39 H CYS 39 -0.306 -3.559 -0.503 282 HA CYS 39 HA CYS 39 2.345 -2.472 -0.230 283 HB2 CYS 39 1HB CYS 39 1.840 -4.630 -1.141 284 HB3 CYS 39 2HB CYS 39 0.848 -3.941 -2.419 285 H ASP 40 H ASP 40 3.387 -0.917 -1.318 286 HA ASP 40 HA ASP 40 1.783 1.307 -2.389 287 HB2 ASP 40 1HB ASP 40 3.698 1.586 -0.771 288 HB3 ASP 40 2HB ASP 40 4.795 1.084 -2.055 289 H TYR 41 H TYR 41 3.001 -1.506 -3.703 290 HA TYR 41 HA TYR 41 3.592 -0.288 -6.389 291 HB2 TYR 41 1HB TYR 41 4.793 -2.739 -5.060 292 HB3 TYR 41 2HB TYR 41 5.143 -2.156 -6.670 293 HD1 TYR 41 1HD TYR 41 6.538 -0.107 -6.959 294 HD2 TYR 41 2HD TYR 41 5.542 -1.641 -3.065 295 HE1 TYR 41 1HE TYR 41 8.348 1.295 -5.952 296 HE2 TYR 41 2HE TYR 41 7.338 -0.222 -2.045 297 HH TYR 41 HH TYR 41 9.013 1.296 -2.431 298 H CYS 42 H CYS 42 1.841 -2.829 -4.702 299 HA CYS 42 HA CYS 42 0.260 -3.237 -7.169 300 HB2 CYS 42 1HB CYS 42 0.216 -5.660 -6.989 301 HB3 CYS 42 2HB CYS 42 1.859 -5.071 -7.254 302 H SER 43 H SER 43 -1.600 -4.945 -6.525 303 HA SER 43 HA SER 43 -3.279 -3.577 -4.581 304 HB2 SER 43 1HB SER 43 -4.990 -5.205 -5.356 305 HB3 SER 43 2HB SER 43 -4.230 -4.295 -6.669 306 HG SER 43 HG SER 43 -4.383 -6.551 -7.132 307 H PHE 44 H PHE 44 -0.862 -5.720 -3.964 308 HA PHE 44 HA PHE 44 -2.003 -7.707 -2.322 309 HB2 PHE 44 1HB PHE 44 0.250 -7.769 -3.101 310 HB3 PHE 44 2HB PHE 44 0.688 -6.333 -2.201 311 HD1 PHE 44 2HD PHE 44 -0.323 -9.921 -1.845 312 HD2 PHE 44 1HD PHE 44 1.456 -6.482 0.048 313 HE1 PHE 44 2HE PHE 44 0.434 -11.346 0.048 314 HE2 PHE 44 1HE PHE 44 2.234 -7.911 1.923 315 HZ PHE 44 HZ PHE 44 1.715 -10.343 1.932 316 H THR 45 H THR 45 -2.220 -7.914 -0.108 317 HA THR 45 HA THR 45 -1.911 -5.589 1.670 318 HB THR 45 HB THR 45 -4.105 -6.024 2.736 319 HG1 THR 45 1HG THR 45 -5.690 -7.070 1.470 320 HG21 THR 45 3HG2 THR 45 -4.255 -5.112 -0.156 321 HG22 THR 45 1HG2 THR 45 -3.814 -4.133 1.265 322 HG23 THR 45 2HG2 THR 45 -5.457 -4.778 1.118 323 H CYS 46 H CYS 46 -1.735 -6.049 3.833 324 HA CYS 46 HA CYS 46 -1.647 -8.870 4.731 325 HB2 CYS 46 1HB CYS 46 0.568 -8.288 3.648 326 HB3 CYS 46 2HB CYS 46 0.817 -7.081 4.922 327 HG CYS 46 HG CYS 46 2.210 -9.303 5.352 328 H LEU 47 H LEU 47 -1.516 -9.143 6.994 329 HA LEU 47 HA LEU 47 -2.555 -6.894 8.616 330 HB2 LEU 47 1HB LEU 47 -2.147 -9.810 9.371 331 HB3 LEU 47 2HB LEU 47 -3.031 -8.594 10.286 332 HG LEU 47 HG LEU 47 -3.836 -9.791 7.602 333 HD11 LEU 47 1HD1 LEU 47 -5.175 -9.895 10.330 334 HD12 LEU 47 2HD1 LEU 47 -4.194 -11.204 9.625 335 HD13 LEU 47 3HD1 LEU 47 -5.707 -10.712 8.848 336 HD21 LEU 47 3HD2 LEU 47 -5.240 -7.640 9.246 337 HD22 LEU 47 1HD2 LEU 47 -5.934 -8.490 7.847 338 HD23 LEU 47 2HD2 LEU 47 -4.526 -7.443 7.633 339 H SER 48 H SER 48 0.488 -7.930 7.816 340 HA SER 48 HA SER 48 1.693 -6.927 10.360 341 HB2 SER 48 1HB SER 48 2.061 -9.272 10.400 342 HB3 SER 48 2HB SER 48 2.531 -9.302 8.693 343 HG SER 48 HG SER 48 4.287 -9.308 10.318 344 H LYS 49 H LYS 49 3.000 -5.322 10.150 345 HA LYS 49 HA LYS 49 3.626 -4.054 7.639 346 HB2 LYS 49 1HB LYS 49 3.203 -3.009 9.926 347 HB3 LYS 49 2HB LYS 49 4.790 -3.573 10.425 348 HG2 LYS 49 1HG LYS 49 4.748 -1.215 9.838 349 HG3 LYS 49 2HG LYS 49 5.862 -2.097 8.785 350 HD2 LYS 49 1HD LYS 49 4.453 -1.881 6.902 351 HD3 LYS 49 2HD LYS 49 3.006 -1.589 7.892 352 HE2 LYS 49 1HE LYS 49 3.809 0.578 8.589 353 HE3 LYS 49 2HE LYS 49 5.362 0.331 7.772 354 HZ1 LYS 49 3HZ LYS 49 4.170 0.309 5.647 355 HZ2 LYS 49 1HZ LYS 49 3.870 1.702 6.438 356 HZ3 LYS 49 2HZ LYS 49 2.731 0.537 6.399 357 H GLY 50 H GLY 50 5.411 -6.221 9.778 358 HA2 GLY 50 1HA GLY 50 8.004 -6.008 8.502 359 HA3 GLY 50 2HA GLY 50 7.440 -7.305 9.565 360 H HIS 51 H HIS 51 5.239 -8.316 8.115 361 HA HIS 51 HA HIS 51 6.555 -9.824 6.018 362 HB2 HIS 51 1HB HIS 51 3.626 -9.575 6.734 363 HB3 HIS 51 2HB HIS 51 4.300 -10.761 5.617 364 HD1 HIS 51 1HD HIS 51 2.761 -11.739 8.203 365 HD2 HIS 51 2HD HIS 51 6.922 -11.217 7.841 366 HE1 HIS 51 1HE HIS 51 3.829 -13.197 10.005 367 H LEU 52 H LEU 52 4.407 -6.937 5.927 368 HA LEU 52 HA LEU 52 4.286 -6.843 3.068 369 HB2 LEU 52 1HB LEU 52 2.751 -5.562 4.489 370 HB3 LEU 52 2HB LEU 52 4.099 -4.610 5.123 371 HG LEU 52 HG LEU 52 4.536 -3.685 2.851 372 HD11 LEU 52 1HD1 LEU 52 2.027 -5.233 2.055 373 HD12 LEU 52 2HD1 LEU 52 3.675 -5.533 1.443 374 HD13 LEU 52 3HD1 LEU 52 2.871 -4.026 1.064 375 HD21 LEU 52 3HD2 LEU 52 2.967 -2.570 4.446 376 HD22 LEU 52 1HD2 LEU 52 1.627 -3.387 3.597 377 HD23 LEU 52 2HD2 LEU 52 2.648 -2.222 2.734 378 H LYS 53 H LYS 53 6.739 -5.489 5.368 379 HA LYS 53 HA LYS 53 8.363 -4.202 3.396 380 HB2 LYS 53 1HB LYS 53 8.781 -3.664 5.631 381 HB3 LYS 53 2HB LYS 53 8.761 -5.341 6.166 382 HG2 LYS 53 1HG LYS 53 10.894 -5.788 5.067 383 HG3 LYS 53 2HG LYS 53 10.958 -4.122 4.452 384 HD2 LYS 53 1HD LYS 53 11.147 -3.239 6.703 385 HD3 LYS 53 2HD LYS 53 10.747 -4.826 7.420 386 HE2 LYS 53 1HE LYS 53 12.721 -5.828 6.433 387 HE3 LYS 53 2HE LYS 53 13.155 -4.302 5.647 388 HZ1 LYS 53 3HZ LYS 53 13.042 -4.728 8.594 389 HZ2 LYS 53 1HZ LYS 53 13.436 -3.317 7.870 390 HZ3 LYS 53 2HZ LYS 53 14.412 -4.614 7.715 391 H VAL 54 H VAL 54 8.454 -7.591 4.635 392 HA VAL 54 HA VAL 54 10.530 -8.452 2.895 393 HB VAL 54 HB VAL 54 8.255 -10.044 4.133 394 HG11 VAL 54 1HG1 VAL 54 10.726 -10.996 2.615 395 HG12 VAL 54 2HG1 VAL 54 9.783 -12.029 3.723 396 HG13 VAL 54 3HG1 VAL 54 9.019 -11.377 2.278 397 HG21 VAL 54 3HG2 VAL 54 11.209 -9.792 4.831 398 HG22 VAL 54 1HG2 VAL 54 9.888 -8.984 5.697 399 HG23 VAL 54 2HG2 VAL 54 9.986 -10.749 5.706 400 H HIS 55 H HIS 55 6.975 -8.457 2.300 401 HA HIS 55 HA HIS 55 7.014 -9.564 -0.271 402 HB2 HIS 55 1HB HIS 55 4.912 -9.178 0.817 403 HB3 HIS 55 2HB HIS 55 5.221 -7.459 0.987 404 HD1 HIS 55 1HD HIS 55 4.168 -9.968 -1.714 405 HD2 HIS 55 2HD HIS 55 4.561 -5.839 -1.017 406 HE1 HIS 55 1HE HIS 55 3.108 -8.821 -3.712 407 H ILE 56 H ILE 56 7.529 -6.087 0.576 408 HA ILE 56 HA ILE 56 7.947 -5.335 -2.205 409 HB ILE 56 HB ILE 56 8.587 -3.915 0.392 410 HG12 ILE 56 1HG1 ILE 56 6.305 -3.398 -1.567 411 HG13 ILE 56 2HG1 ILE 56 6.131 -4.413 -0.143 412 HG21 ILE 56 1HG2 ILE 56 8.545 -2.824 -2.466 413 HG22 ILE 56 2HG2 ILE 56 8.840 -1.873 -0.994 414 HG23 ILE 56 3HG2 ILE 56 10.008 -3.088 -1.492 415 HD11 ILE 56 3HD1 ILE 56 5.264 -2.236 0.357 416 HD12 ILE 56 1HD1 ILE 56 6.716 -2.531 1.332 417 HD13 ILE 56 2HD1 ILE 56 6.791 -1.454 -0.084 418 H GLU 57 H GLU 57 10.165 -6.189 0.430 419 HA GLU 57 HA GLU 57 12.626 -5.665 -0.968 420 HB2 GLU 57 1HB GLU 57 11.866 -7.500 1.321 421 HB3 GLU 57 2HB GLU 57 13.526 -7.251 0.842 422 HG2 GLU 57 1HG GLU 57 11.835 -4.834 1.546 423 HG3 GLU 57 2HG GLU 57 12.458 -5.891 2.804 424 H ARG 58 H ARG 58 10.399 -8.238 -1.306 425 HA ARG 58 HA ARG 58 12.404 -9.854 -2.863 426 HB2 ARG 58 1HB ARG 58 11.369 -11.813 -2.284 427 HB3 ARG 58 2HB ARG 58 11.221 -10.831 -0.845 428 HG2 ARG 58 1HG ARG 58 8.849 -10.266 -1.597 429 HG3 ARG 58 2HG ARG 58 9.051 -11.531 -2.833 430 HD2 ARG 58 1HD ARG 58 9.598 -13.144 -0.981 431 HD3 ARG 58 2HD ARG 58 9.248 -11.842 0.179 432 HE ARG 58 HE ARG 58 7.043 -12.266 -1.649 433 HH11 ARG 58 2HH1 ARG 58 8.475 -13.719 1.199 434 HH12 ARG 58 1HH1 ARG 58 6.966 -14.420 1.712 435 HH21 ARG 58 2HH2 ARG 58 5.153 -13.222 -0.948 436 HH22 ARG 58 1HH2 ARG 58 5.144 -14.144 0.523 437 H VAL 59 H VAL 59 9.093 -8.543 -3.161 438 HA VAL 59 HA VAL 59 8.956 -9.626 -5.863 439 HB VAL 59 HB VAL 59 6.868 -7.958 -4.412 440 HG11 VAL 59 1HG1 VAL 59 6.664 -9.689 -6.913 441 HG12 VAL 59 2HG1 VAL 59 5.306 -8.904 -6.077 442 HG13 VAL 59 3HG1 VAL 59 6.540 -7.916 -6.854 443 HG21 VAL 59 3HG2 VAL 59 7.167 -10.042 -3.202 444 HG22 VAL 59 1HG2 VAL 59 5.696 -10.172 -4.152 445 HG23 VAL 59 2HG2 VAL 59 7.176 -10.980 -4.715 446 H HIS 60 H HIS 60 8.918 -6.377 -4.355 447 HA HIS 60 HA HIS 60 9.187 -5.082 -7.000 448 HB2 HIS 60 1HB HIS 60 8.458 -3.855 -4.359 449 HB3 HIS 60 2HB HIS 60 8.334 -3.105 -5.951 450 HD1 HIS 60 1HD HIS 60 6.544 -4.608 -7.677 451 HD2 HIS 60 2HD HIS 60 6.319 -5.009 -3.501 452 HE1 HIS 60 1HE HIS 60 4.257 -5.601 -7.202 453 H LYS 61 H LYS 61 11.395 -6.344 -5.364 454 HA LYS 61 HA LYS 61 13.310 -4.227 -4.827 455 HB2 LYS 61 1HB LYS 61 13.316 -6.377 -3.675 456 HB3 LYS 61 2HB LYS 61 13.563 -7.242 -5.181 457 HG2 LYS 61 1HG LYS 61 15.623 -7.148 -3.909 458 HG3 LYS 61 2HG LYS 61 15.804 -6.309 -5.438 459 HD2 LYS 61 1HD LYS 61 16.936 -5.203 -3.514 460 HD3 LYS 61 2HD LYS 61 15.791 -4.139 -4.337 461 HE2 LYS 61 1HE LYS 61 14.115 -4.488 -2.628 462 HE3 LYS 61 2HE LYS 61 15.085 -5.756 -1.860 463 HZ1 LYS 61 3HZ LYS 61 15.798 -2.871 -1.974 464 HZ2 LYS 61 1HZ LYS 61 16.743 -4.042 -1.318 465 HZ3 LYS 61 2HZ LYS 61 15.284 -3.711 -0.658 466 H LYS 62 H LYS 62 14.934 -3.488 -6.060 467 HA LYS 62 HA LYS 62 15.789 -2.536 -7.881 468 HB2 LYS 62 1HB LYS 62 16.908 -4.847 -7.789 469 HB3 LYS 62 2HB LYS 62 15.889 -5.289 -9.163 470 HG2 LYS 62 1HG LYS 62 16.880 -3.284 -10.406 471 HG3 LYS 62 2HG LYS 62 17.956 -3.041 -9.022 472 HD2 LYS 62 1HD LYS 62 18.838 -5.360 -9.345 473 HD3 LYS 62 2HD LYS 62 17.815 -5.546 -10.777 474 HE2 LYS 62 1HE LYS 62 19.959 -3.406 -10.401 475 HE3 LYS 62 2HE LYS 62 20.214 -4.926 -11.256 476 HZ1 LYS 62 3HZ LYS 62 18.575 -4.251 -12.893 477 HZ2 LYS 62 1HZ LYS 62 19.701 -3.057 -12.743 478 HZ3 LYS 62 2HZ LYS 62 18.240 -2.858 -12.080 479 H ILE 63 H ILE 63 13.308 -1.983 -7.828 480 HA ILE 63 HA ILE 63 11.898 -2.411 -10.346 481 HB ILE 63 HB ILE 63 10.732 -2.071 -8.220 482 HG12 ILE 63 1HG1 ILE 63 10.049 0.047 -10.293 483 HG13 ILE 63 2HG1 ILE 63 9.642 -1.672 -10.401 484 HG21 ILE 63 1HG2 ILE 63 12.271 -0.318 -7.264 485 HG22 ILE 63 2HG2 ILE 63 11.559 0.857 -8.388 486 HG23 ILE 63 3HG2 ILE 63 10.565 0.086 -7.133 487 HD11 ILE 63 3HD1 ILE 63 8.321 -1.426 -8.270 488 HD12 ILE 63 1HD1 ILE 63 8.634 0.332 -8.351 489 HD13 ILE 63 2HD1 ILE 63 7.709 -0.463 -9.633 490 H LYS 64 H LYS 64 11.510 -0.861 -11.994 491 HA LYS 64 HA LYS 64 13.750 0.866 -12.664 492 HB2 LYS 64 1HB LYS 64 11.005 0.645 -13.971 493 HB3 LYS 64 2HB LYS 64 12.411 1.503 -14.617 494 HG2 LYS 64 1HG LYS 64 13.673 -0.682 -14.654 495 HG3 LYS 64 2HG LYS 64 12.215 -1.500 -14.100 496 HD2 LYS 64 1HD LYS 64 12.400 -1.817 -16.458 497 HD3 LYS 64 2HD LYS 64 11.024 -0.744 -16.162 498 HE2 LYS 64 1HE LYS 64 12.386 1.215 -16.784 499 HE3 LYS 64 2HE LYS 64 13.825 0.197 -16.937 500 HZ1 LYS 64 3HZ LYS 64 11.396 -0.038 -18.638 501 HZ2 LYS 64 1HZ LYS 64 12.730 -0.973 -18.768 502 HZ3 LYS 64 2HZ LYS 64 12.818 0.619 -19.107 503 H GLN 65 H GLN 65 14.003 2.963 -12.482 504 HA GLN 65 HA GLN 65 11.989 4.628 -11.011 505 HB2 GLN 65 1HB GLN 65 15.037 4.778 -11.133 506 HB3 GLN 65 2HB GLN 65 14.006 5.953 -10.321 507 HG2 GLN 65 1HG GLN 65 14.045 2.991 -9.574 508 HG3 GLN 65 2HG GLN 65 15.038 4.222 -8.803 509 HE21 GLN 65 1HE2 GLN 65 13.885 6.042 -7.647 510 HE22 GLN 65 2HE2 GLN 65 12.291 5.690 -6.998 511 H HIS 66 H HIS 66 12.150 7.043 -11.587 512 HA HIS 66 HA HIS 66 13.063 7.467 -14.367 513 HB2 HIS 66 1HB HIS 66 11.104 8.599 -15.063 514 HB3 HIS 66 2HB HIS 66 10.651 7.005 -14.480 515 HD1 HIS 66 1HD HIS 66 8.708 7.006 -12.697 516 HD2 HIS 66 2HD HIS 66 10.577 10.728 -13.278 517 HE1 HIS 66 1HE HIS 66 7.315 8.715 -11.419 518 H CYS 67 H CYS 67 13.638 9.468 -14.997 519 HA CYS 67 HA CYS 67 14.822 11.218 -13.038 520 HB2 CYS 67 1HB CYS 67 15.778 10.673 -15.220 521 HB3 CYS 67 2HB CYS 67 14.386 11.404 -16.036 522 H ARG 68 H ARG 68 14.133 13.012 -12.121 523 HA ARG 68 HA ARG 68 11.395 13.969 -12.607 524 HB2 ARG 68 1HB ARG 68 11.564 15.189 -10.596 525 HB3 ARG 68 2HB ARG 68 12.274 13.615 -10.337 526 HG2 ARG 68 1HG ARG 68 13.818 14.890 -9.250 527 HG3 ARG 68 2HG ARG 68 14.570 14.829 -10.835 528 HD2 ARG 68 1HD ARG 68 14.728 17.058 -9.985 529 HD3 ARG 68 2HD ARG 68 13.607 17.119 -11.324 530 HE ARG 68 HE ARG 68 12.997 17.313 -8.401 531 HH11 ARG 68 2HH1 ARG 68 11.626 17.615 -11.643 532 HH12 ARG 68 1HH1 ARG 68 10.330 18.624 -11.059 533 HH21 ARG 68 2HH2 ARG 68 11.277 18.524 -7.766 534 HH22 ARG 68 1HH2 ARG 68 10.115 19.077 -8.935 535 H PHE 69 H PHE 69 14.206 14.648 -14.176 536 HA PHE 69 HA PHE 69 13.436 17.491 -14.748 537 HB2 PHE 69 1HB PHE 69 16.027 16.041 -15.271 538 HB3 PHE 69 2HB PHE 69 15.716 17.740 -15.563 539 HD1 PHE 69 2HD PHE 69 15.518 19.336 -13.651 540 HD2 PHE 69 1HD PHE 69 16.576 15.196 -13.069 541 HE1 PHE 69 2HE PHE 69 16.466 19.889 -11.423 542 HE2 PHE 69 1HE PHE 69 17.526 15.753 -10.842 543 HZ PHE 69 HZ PHE 69 17.492 18.103 -10.026 544 H CYS 70 H CYS 70 14.116 14.361 -16.351 545 HA CYS 70 HA CYS 70 12.968 15.462 -18.870 546 HB2 CYS 70 1HB CYS 70 14.603 14.459 -20.225 547 HB3 CYS 70 2HB CYS 70 15.370 15.524 -19.053 548 H LYS 71 H LYS 71 12.326 13.256 -16.572 549 HA LYS 71 HA LYS 71 11.117 11.349 -16.399 550 HB2 LYS 71 1HB LYS 71 9.773 12.626 -18.795 551 HB3 LYS 71 2HB LYS 71 9.103 11.231 -17.966 552 HG2 LYS 71 1HG LYS 71 9.741 13.827 -16.505 553 HG3 LYS 71 2HG LYS 71 8.189 13.493 -17.277 554 HD2 LYS 71 1HD LYS 71 7.841 11.517 -15.866 555 HD3 LYS 71 2HD LYS 71 9.417 11.759 -15.090 556 HE2 LYS 71 1HE LYS 71 8.713 13.898 -14.168 557 HE3 LYS 71 2HE LYS 71 7.180 13.820 -15.045 558 HZ1 LYS 71 3HZ LYS 71 6.962 13.110 -12.708 559 HZ2 LYS 71 1HZ LYS 71 7.987 11.857 -12.951 560 HZ3 LYS 71 2HZ LYS 71 6.552 11.903 -13.724 561 H LYS 72 H LYS 72 13.574 11.092 -18.028 562 HA LYS 72 HA LYS 72 13.219 8.733 -19.676 563 HB2 LYS 72 1HB LYS 72 15.176 10.413 -19.665 564 HB3 LYS 72 2HB LYS 72 15.711 9.659 -18.179 565 HG2 LYS 72 1HG LYS 72 16.025 7.512 -19.296 566 HG3 LYS 72 2HG LYS 72 15.264 8.116 -20.780 567 HD2 LYS 72 1HD LYS 72 17.095 9.661 -21.180 568 HD3 LYS 72 2HD LYS 72 17.819 9.294 -19.606 569 HE2 LYS 72 1HE LYS 72 18.013 6.875 -20.342 570 HE3 LYS 72 2HE LYS 72 17.487 7.376 -21.956 571 HZ1 LYS 72 3HZ LYS 72 19.442 8.862 -22.023 572 HZ2 LYS 72 1HZ LYS 72 19.908 7.313 -21.794 573 HZ3 LYS 72 2HZ LYS 72 19.902 8.352 -20.533 574 H LYS 73 H LYS 73 13.471 6.553 -19.127 575 HA LYS 73 HA LYS 73 13.130 5.861 -16.250 576 HB2 LYS 73 1HB LYS 73 12.366 4.514 -18.823 577 HB3 LYS 73 2HB LYS 73 12.945 3.477 -17.542 578 HG2 LYS 73 1HG LYS 73 10.818 3.384 -16.931 579 HG3 LYS 73 2HG LYS 73 11.200 4.840 -16.034 580 HD2 LYS 73 1HD LYS 73 9.867 4.692 -18.779 581 HD3 LYS 73 2HD LYS 73 9.049 4.973 -17.234 582 HE2 LYS 73 1HE LYS 73 10.395 7.064 -16.929 583 HE3 LYS 73 2HE LYS 73 11.120 6.793 -18.519 584 HZ1 LYS 73 3HZ LYS 73 8.241 7.284 -18.020 585 HZ2 LYS 73 1HZ LYS 73 8.887 6.956 -19.490 586 HZ3 LYS 73 2HZ LYS 73 9.321 8.320 -18.700 587 H TYR 74 H TYR 74 14.428 4.606 -15.099 588 HA TYR 74 HA TYR 74 17.016 3.641 -16.242 589 HB2 TYR 74 1HB TYR 74 16.508 5.516 -13.927 590 HB3 TYR 74 2HB TYR 74 17.893 4.435 -13.893 591 HD1 TYR 74 1HD TYR 74 16.349 7.258 -15.808 592 HD2 TYR 74 2HD TYR 74 19.811 4.761 -15.229 593 HE1 TYR 74 1HE TYR 74 17.595 8.608 -17.493 594 HE2 TYR 74 2HE TYR 74 21.059 6.092 -16.927 595 HH TYR 74 HH TYR 74 20.968 7.750 -18.444 596 H SER 75 H SER 75 17.313 1.558 -15.876 597 HA SER 75 HA SER 75 15.646 0.061 -14.018 598 HB2 SER 75 1HB SER 75 17.905 -0.886 -15.810 599 HB3 SER 75 2HB SER 75 16.689 -1.903 -15.011 600 HG SER 75 HG SER 75 16.180 -1.420 -17.219 601 H ASP 76 H ASP 76 18.524 1.663 -13.529 602 HA ASP 76 HA ASP 76 19.017 0.212 -10.977 603 HB2 ASP 76 1HB ASP 76 21.063 0.969 -13.098 604 HB3 ASP 76 2HB ASP 76 21.497 0.943 -11.392 605 H VAL 77 H VAL 77 18.656 1.647 -9.365 606 HA VAL 77 HA VAL 77 18.168 4.394 -9.883 607 HB VAL 77 HB VAL 77 17.249 3.107 -7.972 608 HG11 VAL 77 1HG1 VAL 77 18.442 2.903 -5.880 609 HG12 VAL 77 2HG1 VAL 77 19.357 2.050 -7.130 610 HG13 VAL 77 3HG1 VAL 77 19.895 3.652 -6.558 611 HG21 VAL 77 3HG2 VAL 77 18.623 5.707 -7.176 612 HG22 VAL 77 1HG2 VAL 77 17.111 5.580 -8.103 613 HG23 VAL 77 2HG2 VAL 77 17.177 4.990 -6.432 614 H LYS 78 H LYS 78 21.175 2.824 -8.791 615 HA LYS 78 HA LYS 78 22.675 5.192 -8.243 616 HB2 LYS 78 1HB LYS 78 23.591 2.483 -9.313 617 HB3 LYS 78 2HB LYS 78 24.673 3.761 -8.739 618 HG2 LYS 78 1HG LYS 78 23.621 3.669 -6.490 619 HG3 LYS 78 2HG LYS 78 22.516 2.416 -7.048 620 HD2 LYS 78 1HD LYS 78 24.285 1.353 -5.807 621 HD3 LYS 78 2HD LYS 78 24.399 0.896 -7.500 622 HE2 LYS 78 1HE LYS 78 26.620 1.269 -6.699 623 HE3 LYS 78 2HE LYS 78 26.236 2.575 -7.815 624 HZ1 LYS 78 3HZ LYS 78 27.307 3.389 -5.783 625 HZ2 LYS 78 1HZ LYS 78 26.126 2.770 -4.846 626 HZ3 LYS 78 2HZ LYS 78 25.800 4.003 -5.872 627 H ASN 79 H ASN 79 21.901 3.684 -11.353 628 HA ASN 79 HA ASN 79 23.625 5.551 -12.812 629 HB2 ASN 79 1HB ASN 79 21.647 3.413 -13.691 630 HB3 ASN 79 2HB ASN 79 22.425 4.505 -14.832 631 HD21 ASN 79 1HD2 ASN 79 22.724 1.633 -14.816 632 HD22 ASN 79 2HD2 ASN 79 24.437 1.350 -14.551 633 H LEU 80 H LEU 80 20.235 5.519 -11.780 634 HA LEU 80 HA LEU 80 19.424 7.772 -13.371 635 HB2 LEU 80 1HB LEU 80 17.824 6.356 -12.132 636 HB3 LEU 80 2HB LEU 80 18.506 6.933 -10.614 637 HG LEU 80 HG LEU 80 17.806 9.239 -11.107 638 HD11 LEU 80 1HD1 LEU 80 17.801 9.166 -13.595 639 HD12 LEU 80 2HD1 LEU 80 16.258 9.684 -12.942 640 HD13 LEU 80 3HD1 LEU 80 16.435 8.023 -13.542 641 HD21 LEU 80 3HD2 LEU 80 15.430 8.908 -10.776 642 HD22 LEU 80 1HD2 LEU 80 16.326 7.683 -9.864 643 HD23 LEU 80 2HD2 LEU 80 15.540 7.250 -11.405 644 H ILE 81 H ILE 81 20.967 7.516 -10.111 645 HA ILE 81 HA ILE 81 21.199 10.310 -9.620 646 HB ILE 81 HB ILE 81 23.235 8.242 -8.740 647 HG12 ILE 81 1HG1 ILE 81 21.237 7.262 -8.083 648 HG13 ILE 81 2HG1 ILE 81 21.931 7.976 -6.675 649 HG21 ILE 81 1HG2 ILE 81 22.349 10.911 -7.586 650 HG22 ILE 81 2HG2 ILE 81 23.468 9.778 -6.794 651 HG23 ILE 81 3HG2 ILE 81 23.920 10.529 -8.328 652 HD11 ILE 81 3HD1 ILE 81 19.522 8.334 -6.665 653 HD12 ILE 81 1HD1 ILE 81 20.337 9.899 -6.843 654 HD13 ILE 81 2HD1 ILE 81 19.585 9.115 -8.253 655 H LYS 82 H LYS 82 23.536 8.060 -11.139 656 HA LYS 82 HA LYS 82 25.557 9.907 -11.805 657 HB2 LYS 82 1HB LYS 82 25.616 7.401 -11.884 658 HB3 LYS 82 2HB LYS 82 24.634 7.448 -13.352 659 HG2 LYS 82 1HG LYS 82 26.469 8.720 -14.496 660 HG3 LYS 82 2HG LYS 82 27.471 8.515 -13.048 661 HD2 LYS 82 1HD LYS 82 26.233 6.246 -14.682 662 HD3 LYS 82 2HD LYS 82 27.895 6.815 -14.869 663 HE2 LYS 82 1HE LYS 82 28.520 6.089 -12.672 664 HE3 LYS 82 2HE LYS 82 26.841 5.809 -12.194 665 HZ1 LYS 82 3HZ LYS 82 26.694 3.981 -13.703 666 HZ2 LYS 82 1HZ LYS 82 28.018 3.745 -12.782 667 HZ3 LYS 82 2HZ LYS 82 28.196 4.254 -14.324 668 H HIS 83 H HIS 83 22.652 9.049 -13.714 669 HA HIS 83 HA HIS 83 23.106 10.814 -15.933 670 HB2 HIS 83 1HB HIS 83 21.511 9.065 -16.138 671 HB3 HIS 83 2HB HIS 83 20.663 9.524 -14.673 672 HD1 HIS 83 1HD HIS 83 21.055 10.759 -18.295 673 HD2 HIS 83 2HD HIS 83 18.734 11.281 -14.832 674 HE1 HIS 83 1HE HIS 83 19.093 12.205 -19.002 675 H ILE 84 H ILE 84 21.356 11.437 -12.829 676 HA ILE 84 HA ILE 84 20.725 14.167 -13.508 677 HB ILE 84 HB ILE 84 20.967 12.676 -10.890 678 HG12 ILE 84 1HG1 ILE 84 18.476 13.789 -12.240 679 HG13 ILE 84 2HG1 ILE 84 19.100 12.188 -12.616 680 HG21 ILE 84 1HG2 ILE 84 20.049 15.560 -11.313 681 HG22 ILE 84 2HG2 ILE 84 19.812 14.633 -9.816 682 HG23 ILE 84 3HG2 ILE 84 21.439 15.022 -10.348 683 HD11 ILE 84 3HD1 ILE 84 18.946 11.545 -10.224 684 HD12 ILE 84 1HD1 ILE 84 18.154 13.103 -9.881 685 HD13 ILE 84 2HD1 ILE 84 17.380 11.935 -10.971 686 H ARG 85 H ARG 85 23.507 12.766 -11.773 687 HA ARG 85 HA ARG 85 24.938 15.216 -11.329 688 HB2 ARG 85 1HB ARG 85 25.869 12.323 -11.583 689 HB3 ARG 85 2HB ARG 85 26.940 13.659 -11.145 690 HG2 ARG 85 1HG ARG 85 25.522 14.195 -9.201 691 HG3 ARG 85 2HG ARG 85 24.437 12.866 -9.596 692 HD2 ARG 85 1HD ARG 85 25.914 12.118 -7.841 693 HD3 ARG 85 2HD ARG 85 26.284 11.243 -9.320 694 HE ARG 85 HE ARG 85 28.391 12.216 -9.400 695 HH11 ARG 85 2HH1 ARG 85 26.581 13.950 -6.943 696 HH12 ARG 85 1HH1 ARG 85 27.994 14.799 -6.383 697 HH21 ARG 85 2HH2 ARG 85 30.139 13.339 -8.635 698 HH22 ARG 85 1HH2 ARG 85 29.949 14.458 -7.317 699 H ASP 86 H ASP 86 24.676 13.359 -14.260 700 HA ASP 86 HA ASP 86 26.877 14.842 -15.593 701 HB2 ASP 86 1HB ASP 86 26.345 12.450 -16.133 702 HB3 ASP 86 2HB ASP 86 24.825 12.914 -16.791 703 H ALA 87 H ALA 87 23.392 14.344 -16.125 704 HA ALA 87 HA ALA 87 23.493 16.258 -18.209 705 HB1 ALA 87 1HB ALA 87 21.284 15.350 -18.796 706 HB2 ALA 87 2HB ALA 87 22.440 14.050 -18.406 707 HB3 ALA 87 3HB ALA 87 21.196 14.523 -17.226 708 H HIS 88 H HIS 88 22.207 16.213 -14.954 709 HA HIS 88 HA HIS 88 20.798 18.828 -15.265 710 HB2 HIS 88 1HB HIS 88 19.958 16.491 -13.530 711 HB3 HIS 88 2HB HIS 88 19.063 17.962 -13.861 712 HD1 HIS 88 1HD HIS 88 18.663 18.107 -16.858 713 HD2 HIS 88 2HD HIS 88 18.932 14.500 -14.726 714 HE1 HIS 88 1HE HIS 88 17.478 16.367 -18.290 715 H ASP 89 H ASP 89 23.543 18.275 -14.295 716 HA ASP 89 HA ASP 89 23.872 17.961 -11.649 717 HB2 ASP 89 1HB ASP 89 26.077 18.798 -11.855 718 HB3 ASP 89 2HB ASP 89 25.644 17.963 -13.340 719 HA PRO 90 HA PRO 90 22.476 21.767 -9.670 720 HB2 PRO 90 1HB PRO 90 23.128 21.226 -7.084 721 HB3 PRO 90 2HB PRO 90 21.774 20.411 -7.932 722 HG2 PRO 90 1HG PRO 90 24.592 19.382 -7.489 723 HG3 PRO 90 2HG PRO 90 23.044 18.511 -7.255 724 HD2 PRO 90 1HD PRO 90 24.576 18.275 -9.526 725 HD3 PRO 90 2HD PRO 90 22.791 18.155 -9.567 726 H GLN 91 H GLN 91 23.381 23.707 -9.100 727 HA GLN 91 HA GLN 91 26.263 23.885 -8.399 728 HB2 GLN 91 1HB GLN 91 24.958 25.488 -10.638 729 HB3 GLN 91 2HB GLN 91 26.586 25.732 -9.985 730 HG2 GLN 91 1HG GLN 91 27.189 23.404 -10.702 731 HG3 GLN 91 2HG GLN 91 25.586 23.233 -11.419 732 HE21 GLN 91 1HE2 GLN 91 26.982 22.704 -13.334 733 HE22 GLN 91 2HE2 GLN 91 27.490 24.069 -14.345 734 H ASP 92 H ASP 92 26.562 25.159 -6.733 735 HA ASP 92 HA ASP 92 24.846 27.503 -6.164 736 HB2 ASP 92 1HB ASP 92 24.356 26.885 -3.947 737 HB3 ASP 92 2HB ASP 92 23.870 25.536 -4.954 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -5.335 -42.243 -13.571 2 H2 GLY 1 2H GLY 1 -6.074 -43.119 -12.398 3 H3 GLY 1 3H GLY 1 -4.473 -42.796 -12.290 4 HA2 GLY 1 1HA GLY 1 -4.897 -40.436 -12.055 5 HA3 GLY 1 2HA GLY 1 -6.630 -40.794 -12.152 6 H SER 2 H SER 2 -6.815 -39.749 -10.069 7 HA SER 2 HA SER 2 -6.516 -41.625 -7.815 8 HB2 SER 2 1HB SER 2 -4.421 -40.220 -7.870 9 HB3 SER 2 2HB SER 2 -5.435 -38.787 -7.620 10 HG SER 2 HG SER 2 -4.585 -39.680 -5.652 11 H SER 3 H SER 3 -7.781 -40.988 -5.948 12 HA SER 3 HA SER 3 -9.795 -38.876 -6.185 13 HB2 SER 3 1HB SER 3 -10.715 -40.821 -7.521 14 HB3 SER 3 2HB SER 3 -10.726 -41.770 -6.022 15 HG SER 3 HG SER 3 -12.747 -40.720 -6.477 16 H GLY 4 H GLY 4 -11.172 -38.765 -4.217 17 HA2 GLY 4 1HA GLY 4 -10.574 -40.212 -1.817 18 HA3 GLY 4 2HA GLY 4 -9.678 -38.693 -1.825 19 H SER 5 H SER 5 -11.305 -38.941 0.187 20 HA SER 5 HA SER 5 -14.038 -38.036 -0.273 21 HB2 SER 5 1HB SER 5 -13.267 -39.554 1.590 22 HB3 SER 5 2HB SER 5 -12.527 -38.135 2.355 23 HG SER 5 HG SER 5 -14.687 -38.573 3.089 24 H SER 6 H SER 6 -14.945 -36.119 0.802 25 HA SER 6 HA SER 6 -13.204 -33.740 1.038 26 HB2 SER 6 1HB SER 6 -14.538 -32.440 -0.548 27 HB3 SER 6 2HB SER 6 -13.755 -33.814 -1.341 28 HG SER 6 HG SER 6 -15.948 -33.601 -1.974 29 H GLY 7 H GLY 7 -14.388 -31.809 1.803 30 HA2 GLY 7 1HA GLY 7 -16.980 -31.887 2.997 31 HA3 GLY 7 2HA GLY 7 -15.771 -32.323 4.208 32 H LYS 8 H LYS 8 -16.588 -30.368 5.268 33 HA LYS 8 HA LYS 8 -16.556 -28.174 5.901 34 HB2 LYS 8 1HB LYS 8 -13.720 -28.475 4.895 35 HB3 LYS 8 2HB LYS 8 -14.293 -27.133 5.892 36 HG2 LYS 8 1HG LYS 8 -14.940 -28.696 7.690 37 HG3 LYS 8 2HG LYS 8 -14.373 -30.065 6.718 38 HD2 LYS 8 1HD LYS 8 -12.078 -29.124 6.715 39 HD3 LYS 8 2HD LYS 8 -12.642 -27.742 7.681 40 HE2 LYS 8 1HE LYS 8 -13.339 -29.298 9.492 41 HE3 LYS 8 2HE LYS 8 -12.766 -30.670 8.533 42 HZ1 LYS 8 3HZ LYS 8 -11.100 -29.962 10.154 43 HZ2 LYS 8 1HZ LYS 8 -11.048 -28.456 9.530 44 HZ3 LYS 8 2HZ LYS 8 -10.519 -29.728 8.649 45 HA PRO 9 HA PRO 9 -17.365 -26.710 1.519 46 HB2 PRO 9 1HB PRO 9 -20.019 -25.929 1.941 47 HB3 PRO 9 2HB PRO 9 -19.479 -27.557 1.482 48 HG2 PRO 9 1HG PRO 9 -20.149 -26.602 4.238 49 HG3 PRO 9 2HG PRO 9 -20.686 -28.096 3.418 50 HD2 PRO 9 1HD PRO 9 -18.579 -28.116 5.121 51 HD3 PRO 9 2HD PRO 9 -18.547 -29.085 3.622 52 H TYR 10 H TYR 10 -18.003 -25.125 4.621 53 HA TYR 10 HA TYR 10 -18.289 -22.497 3.400 54 HB2 TYR 10 1HB TYR 10 -18.060 -23.334 6.300 55 HB3 TYR 10 2HB TYR 10 -18.435 -21.716 5.709 56 HD1 TYR 10 1HD TYR 10 -20.612 -21.194 4.726 57 HD2 TYR 10 2HD TYR 10 -19.674 -25.209 5.967 58 HE1 TYR 10 1HE TYR 10 -23.033 -21.799 4.610 59 HE2 TYR 10 2HE TYR 10 -22.076 -25.805 5.897 60 HH TYR 10 HH TYR 10 -24.602 -23.444 4.917 61 H LYS 11 H LYS 11 -16.517 -21.893 2.384 62 HA LYS 11 HA LYS 11 -13.794 -21.994 3.597 63 HB2 LYS 11 1HB LYS 11 -14.851 -21.514 0.797 64 HB3 LYS 11 2HB LYS 11 -13.266 -20.917 1.251 65 HG2 LYS 11 1HG LYS 11 -12.936 -22.982 0.185 66 HG3 LYS 11 2HG LYS 11 -12.536 -23.184 1.887 67 HD2 LYS 11 1HD LYS 11 -14.670 -24.366 2.266 68 HD3 LYS 11 2HD LYS 11 -15.148 -24.066 0.576 69 HE2 LYS 11 1HE LYS 11 -13.184 -25.346 -0.214 70 HE3 LYS 11 2HE LYS 11 -12.689 -25.635 1.464 71 HZ1 LYS 11 3HZ LYS 11 -13.874 -27.535 0.576 72 HZ2 LYS 11 1HZ LYS 11 -15.191 -26.632 0.226 73 HZ3 LYS 11 2HZ LYS 11 -14.735 -26.869 1.794 74 H CYS 12 H CYS 12 -12.481 -20.231 3.932 75 HA CYS 12 HA CYS 12 -13.724 -17.670 4.468 76 HB2 CYS 12 1HB CYS 12 -12.065 -18.608 5.910 77 HB3 CYS 12 2HB CYS 12 -10.881 -18.675 4.595 78 HA PRO 13 HA PRO 13 -12.713 -16.090 0.330 79 HB2 PRO 13 1HB PRO 13 -13.629 -13.538 0.617 80 HB3 PRO 13 2HB PRO 13 -14.723 -14.951 0.514 81 HG2 PRO 13 1HG PRO 13 -13.828 -13.440 2.970 82 HG3 PRO 13 2HG PRO 13 -15.460 -14.040 2.564 83 HD2 PRO 13 1HD PRO 13 -13.630 -15.386 4.206 84 HD3 PRO 13 2HD PRO 13 -14.954 -16.185 3.312 85 H GLN 14 H GLN 14 -11.212 -15.356 3.293 86 HA GLN 14 HA GLN 14 -9.340 -13.352 2.109 87 HB2 GLN 14 1HB GLN 14 -9.851 -13.822 5.054 88 HB3 GLN 14 2HB GLN 14 -9.068 -12.454 4.268 89 HG2 GLN 14 1HG GLN 14 -11.342 -12.060 3.096 90 HG3 GLN 14 2HG GLN 14 -12.009 -13.216 4.254 91 HE21 GLN 14 1HE2 GLN 14 -10.228 -10.063 4.139 92 HE22 GLN 14 2HE2 GLN 14 -10.963 -9.501 5.638 93 H CYS 15 H CYS 15 -9.444 -16.493 3.766 94 HA CYS 15 HA CYS 15 -6.602 -16.878 3.021 95 HB2 CYS 15 1HB CYS 15 -5.888 -17.562 5.201 96 HB3 CYS 15 2HB CYS 15 -6.575 -15.949 5.317 97 H SER 16 H SER 16 -6.004 -19.260 3.957 98 HA SER 16 HA SER 16 -7.469 -21.050 2.247 99 HB2 SER 16 1HB SER 16 -5.286 -21.682 4.264 100 HB3 SER 16 2HB SER 16 -5.808 -22.704 2.910 101 HG SER 16 HG SER 16 -3.931 -21.486 2.395 102 H TYR 17 H TYR 17 -8.419 -20.089 5.260 103 HA TYR 17 HA TYR 17 -9.024 -22.473 6.673 104 HB2 TYR 17 1HB TYR 17 -8.998 -20.275 7.686 105 HB3 TYR 17 2HB TYR 17 -10.290 -19.720 6.648 106 HD1 TYR 17 1HD TYR 17 -9.408 -21.965 9.489 107 HD2 TYR 17 2HD TYR 17 -12.638 -20.202 7.231 108 HE1 TYR 17 1HE TYR 17 -11.014 -22.553 11.305 109 HE2 TYR 17 2HE TYR 17 -14.222 -20.751 9.061 110 HH TYR 17 HH TYR 17 -14.417 -21.477 11.228 111 H ALA 18 H ALA 18 -10.841 -23.693 6.945 112 HA ALA 18 HA ALA 18 -13.306 -23.098 5.543 113 HB1 ALA 18 1HB ALA 18 -11.899 -25.758 5.030 114 HB2 ALA 18 2HB ALA 18 -13.495 -25.262 4.428 115 HB3 ALA 18 3HB ALA 18 -12.040 -24.434 3.851 116 H SER 19 H SER 19 -15.132 -24.180 6.422 117 HA SER 19 HA SER 19 -14.748 -26.162 8.582 118 HB2 SER 19 1HB SER 19 -14.801 -23.824 9.616 119 HB3 SER 19 2HB SER 19 -16.491 -23.730 9.084 120 HG SER 19 HG SER 19 -15.265 -25.570 10.888 121 H ALA 20 H ALA 20 -16.849 -27.093 9.308 122 HA ALA 20 HA ALA 20 -18.625 -27.627 7.029 123 HB1 ALA 20 1HB ALA 20 -18.467 -28.888 9.788 124 HB2 ALA 20 2HB ALA 20 -19.414 -29.486 8.407 125 HB3 ALA 20 3HB ALA 20 -17.644 -29.479 8.325 126 H ILE 21 H ILE 21 -18.667 -25.245 9.309 127 HA ILE 21 HA ILE 21 -21.656 -25.117 9.463 128 HB ILE 21 HB ILE 21 -19.652 -24.647 11.697 129 HG12 ILE 21 1HG1 ILE 21 -21.703 -26.875 11.302 130 HG13 ILE 21 2HG1 ILE 21 -19.946 -27.047 11.277 131 HG21 ILE 21 1HG2 ILE 21 -22.694 -24.475 11.786 132 HG22 ILE 21 2HG2 ILE 21 -21.583 -24.262 13.162 133 HG23 ILE 21 3HG2 ILE 21 -21.560 -23.105 11.866 134 HD11 ILE 21 3HD1 ILE 21 -21.660 -26.457 13.704 135 HD12 ILE 21 1HD1 ILE 21 -20.686 -27.889 13.358 136 HD13 ILE 21 2HD1 ILE 21 -19.880 -26.344 13.690 137 H LYS 22 H LYS 22 -22.525 -23.159 9.009 138 HA LYS 22 HA LYS 22 -20.968 -21.015 7.953 139 HB2 LYS 22 1HB LYS 22 -23.308 -21.497 7.333 140 HB3 LYS 22 2HB LYS 22 -23.854 -21.057 8.944 141 HG2 LYS 22 1HG LYS 22 -24.283 -19.309 7.263 142 HG3 LYS 22 2HG LYS 22 -23.272 -18.730 8.587 143 HD2 LYS 22 1HD LYS 22 -21.282 -18.774 7.196 144 HD3 LYS 22 2HD LYS 22 -22.121 -19.681 5.935 145 HE2 LYS 22 1HE LYS 22 -21.814 -17.349 5.293 146 HE3 LYS 22 2HE LYS 22 -23.522 -17.780 5.382 147 HZ1 LYS 22 3HZ LYS 22 -22.091 -16.380 7.589 148 HZ2 LYS 22 1HZ LYS 22 -23.702 -16.610 7.453 149 HZ3 LYS 22 2HZ LYS 22 -22.944 -15.602 6.425 150 H ALA 23 H ALA 23 -22.404 -21.374 11.209 151 HA ALA 23 HA ALA 23 -21.617 -18.862 12.259 152 HB1 ALA 23 1HB ALA 23 -21.896 -19.929 14.443 153 HB2 ALA 23 2HB ALA 23 -23.201 -20.417 13.347 154 HB3 ALA 23 3HB ALA 23 -21.863 -21.537 13.699 155 H ASN 24 H ASN 24 -19.683 -21.860 11.906 156 HA ASN 24 HA ASN 24 -17.373 -20.817 13.335 157 HB2 ASN 24 1HB ASN 24 -17.719 -23.105 11.334 158 HB3 ASN 24 2HB ASN 24 -16.216 -22.742 12.146 159 HD21 ASN 24 1HD2 ASN 24 -16.949 -25.171 12.430 160 HD22 ASN 24 2HD2 ASN 24 -17.596 -25.475 14.048 161 H LEU 25 H LEU 25 -18.489 -20.533 9.970 162 HA LEU 25 HA LEU 25 -15.991 -19.266 9.123 163 HB2 LEU 25 1HB LEU 25 -17.365 -20.414 7.488 164 HB3 LEU 25 2HB LEU 25 -18.739 -19.360 7.838 165 HG LEU 25 HG LEU 25 -17.498 -17.404 6.986 166 HD11 LEU 25 1HD1 LEU 25 -15.158 -18.061 7.454 167 HD12 LEU 25 2HD1 LEU 25 -15.396 -17.692 5.755 168 HD13 LEU 25 3HD1 LEU 25 -15.287 -19.390 6.278 169 HD21 LEU 25 3HD2 LEU 25 -17.436 -19.719 5.018 170 HD22 LEU 25 1HD2 LEU 25 -17.533 -17.993 4.632 171 HD23 LEU 25 2HD2 LEU 25 -18.887 -18.784 5.458 172 H ASN 26 H ASN 26 -19.238 -18.036 10.135 173 HA ASN 26 HA ASN 26 -18.730 -15.274 9.929 174 HB2 ASN 26 1HB ASN 26 -20.188 -16.694 12.215 175 HB3 ASN 26 2HB ASN 26 -20.338 -14.997 11.806 176 HD21 ASN 26 1HD2 ASN 26 -22.440 -16.644 12.151 177 HD22 ASN 26 2HD2 ASN 26 -23.307 -16.787 10.620 178 H VAL 27 H VAL 27 -17.993 -17.433 12.702 179 HA VAL 27 HA VAL 27 -16.925 -15.375 14.337 180 HB VAL 27 HB VAL 27 -17.741 -17.849 14.833 181 HG11 VAL 27 1HG1 VAL 27 -16.067 -19.358 15.582 182 HG12 VAL 27 2HG1 VAL 27 -15.840 -19.043 13.861 183 HG13 VAL 27 3HG1 VAL 27 -14.760 -18.279 15.054 184 HG21 VAL 27 3HG2 VAL 27 -15.678 -16.283 16.399 185 HG22 VAL 27 1HG2 VAL 27 -17.452 -16.057 16.428 186 HG23 VAL 27 2HG2 VAL 27 -16.742 -17.546 17.087 187 H HIS 28 H HIS 28 -15.419 -17.534 12.071 188 HA HIS 28 HA HIS 28 -12.711 -17.031 12.686 189 HB2 HIS 28 1HB HIS 28 -13.420 -18.940 11.434 190 HB3 HIS 28 2HB HIS 28 -14.150 -17.958 10.172 191 HD1 HIS 28 1HD HIS 28 -10.653 -19.066 11.252 192 HD2 HIS 28 2HD HIS 28 -12.654 -16.869 8.287 193 HE1 HIS 28 1HE HIS 28 -8.875 -18.408 9.555 194 H LEU 29 H LEU 29 -14.878 -15.350 10.375 195 HA LEU 29 HA LEU 29 -12.924 -13.740 9.090 196 HB2 LEU 29 1HB LEU 29 -15.853 -13.173 9.686 197 HB3 LEU 29 2HB LEU 29 -14.886 -12.244 8.545 198 HG LEU 29 HG LEU 29 -15.326 -15.228 8.192 199 HD11 LEU 29 1HD1 LEU 29 -17.524 -14.096 8.256 200 HD12 LEU 29 2HD1 LEU 29 -17.132 -14.665 6.627 201 HD13 LEU 29 3HD1 LEU 29 -16.963 -12.939 7.029 202 HD21 LEU 29 3HD2 LEU 29 -14.875 -14.738 5.849 203 HD22 LEU 29 1HD2 LEU 29 -13.492 -14.310 6.864 204 HD23 LEU 29 2HD2 LEU 29 -14.565 -13.034 6.239 205 H ARG 30 H ARG 30 -14.280 -13.391 12.266 206 HA ARG 30 HA ARG 30 -13.941 -10.630 12.767 207 HB2 ARG 30 1HB ARG 30 -13.598 -12.983 14.678 208 HB3 ARG 30 2HB ARG 30 -13.810 -11.311 15.170 209 HG2 ARG 30 1HG ARG 30 -16.032 -11.225 14.094 210 HG3 ARG 30 2HG ARG 30 -15.860 -12.915 13.583 211 HD2 ARG 30 1HD ARG 30 -15.667 -13.618 15.949 212 HD3 ARG 30 2HD ARG 30 -15.870 -11.927 16.459 213 HE ARG 30 HE ARG 30 -18.055 -12.627 14.770 214 HH11 ARG 30 1HH1 ARG 30 -16.933 -13.369 18.006 215 HH12 ARG 30 2HH1 ARG 30 -18.543 -13.696 18.587 216 HH21 ARG 30 2HH2 ARG 30 -20.083 -13.055 15.579 217 HH22 ARG 30 1HH2 ARG 30 -20.272 -13.526 17.242 218 H LYS 31 H LYS 31 -11.468 -13.173 12.738 219 HA LYS 31 HA LYS 31 -9.425 -11.550 14.012 220 HB2 LYS 31 1HB LYS 31 -8.031 -13.355 13.801 221 HB3 LYS 31 2HB LYS 31 -9.631 -14.088 13.897 222 HG2 LYS 31 1HG LYS 31 -9.561 -14.345 11.358 223 HG3 LYS 31 2HG LYS 31 -7.922 -13.705 11.393 224 HD2 LYS 31 1HD LYS 31 -7.790 -16.104 11.293 225 HD3 LYS 31 2HD LYS 31 -7.200 -15.552 12.864 226 HE2 LYS 31 1HE LYS 31 -9.503 -16.088 13.818 227 HE3 LYS 31 2HE LYS 31 -9.932 -16.776 12.251 228 HZ1 LYS 31 3HZ LYS 31 -8.052 -18.360 12.572 229 HZ2 LYS 31 1HZ LYS 31 -9.116 -18.481 13.812 230 HZ3 LYS 31 2HZ LYS 31 -7.708 -17.695 14.018 231 H HIS 32 H HIS 32 -10.535 -11.717 10.786 232 HA HIS 32 HA HIS 32 -8.155 -10.481 9.578 233 HB2 HIS 32 1HB HIS 32 -10.885 -11.155 8.439 234 HB3 HIS 32 2HB HIS 32 -9.501 -10.596 7.511 235 HD1 HIS 32 1HD HIS 32 -7.206 -12.482 8.436 236 HD2 HIS 32 2HD HIS 32 -11.179 -13.629 7.707 237 HE1 HIS 32 1HE HIS 32 -7.113 -14.952 7.894 238 H THR 33 H THR 33 -10.464 -9.154 11.515 239 HA THR 33 HA THR 33 -10.912 -6.655 10.028 240 HB THR 33 HB THR 33 -12.090 -5.868 11.965 241 HG1 THR 33 1HG THR 33 -11.597 -8.330 13.260 242 HG21 THR 33 3HG2 THR 33 -13.326 -7.312 10.417 243 HG22 THR 33 1HG2 THR 33 -13.907 -7.499 12.082 244 HG23 THR 33 2HG2 THR 33 -12.874 -8.749 11.350 245 H GLY 34 H GLY 34 -10.390 -4.529 11.094 246 HA2 GLY 34 1HA GLY 34 -8.962 -3.055 12.187 247 HA3 GLY 34 2HA GLY 34 -8.045 -4.405 12.837 248 H GLU 35 H GLU 35 -6.030 -3.686 12.368 249 HA GLU 35 HA GLU 35 -5.200 -2.091 10.233 250 HB2 GLU 35 1HB GLU 35 -3.010 -2.352 11.025 251 HB3 GLU 35 2HB GLU 35 -4.093 -2.375 12.417 252 HG2 GLU 35 1HG GLU 35 -3.987 -5.004 12.045 253 HG3 GLU 35 2HG GLU 35 -2.511 -4.621 11.174 254 H LYS 36 H LYS 36 -4.620 -2.203 8.363 255 HA LYS 36 HA LYS 36 -3.615 -4.658 7.039 256 HB2 LYS 36 1HB LYS 36 -5.697 -2.754 5.871 257 HB3 LYS 36 2HB LYS 36 -4.830 -4.026 4.978 258 HG2 LYS 36 1HG LYS 36 -5.657 -5.678 6.687 259 HG3 LYS 36 2HG LYS 36 -6.691 -4.403 7.347 260 HD2 LYS 36 1HD LYS 36 -7.946 -4.250 5.251 261 HD3 LYS 36 2HD LYS 36 -6.791 -5.351 4.456 262 HE2 LYS 36 1HE LYS 36 -8.595 -6.754 5.096 263 HE3 LYS 36 2HE LYS 36 -7.257 -7.037 6.229 264 HZ1 LYS 36 3HZ LYS 36 -9.703 -5.439 6.774 265 HZ2 LYS 36 1HZ LYS 36 -8.410 -5.478 7.781 266 HZ3 LYS 36 2HZ LYS 36 -9.254 -6.844 7.506 267 H PHE 37 H PHE 37 -1.757 -4.354 6.442 268 HA PHE 37 HA PHE 37 -0.634 -1.744 5.588 269 HB2 PHE 37 1HB PHE 37 0.704 -4.429 6.109 270 HB3 PHE 37 2HB PHE 37 1.510 -2.887 5.838 271 HD1 PHE 37 2HD PHE 37 1.194 -0.970 7.468 272 HD2 PHE 37 1HD PHE 37 -0.092 -4.998 8.301 273 HE1 PHE 37 2HE PHE 37 0.994 -0.411 9.866 274 HE2 PHE 37 1HE PHE 37 -0.238 -4.450 10.711 275 HZ PHE 37 HZ PHE 37 0.200 -2.132 11.494 276 H ALA 38 H ALA 38 -1.048 -1.251 3.547 277 HA ALA 38 HA ALA 38 -1.319 -3.331 1.472 278 HB1 ALA 38 1HB ALA 38 -1.862 -0.339 1.368 279 HB2 ALA 38 2HB ALA 38 -2.313 -1.542 0.147 280 HB3 ALA 38 3HB ALA 38 -3.075 -1.581 1.753 281 H CYS 39 H CYS 39 -0.134 -3.483 -0.417 282 HA CYS 39 HA CYS 39 2.543 -2.382 -0.451 283 HB2 CYS 39 1HB CYS 39 1.916 -4.577 -1.207 284 HB3 CYS 39 2HB CYS 39 0.872 -3.900 -2.457 285 H ASP 40 H ASP 40 3.399 -0.796 -1.581 286 HA ASP 40 HA ASP 40 1.635 1.288 -2.703 287 HB2 ASP 40 1HB ASP 40 3.548 1.773 -1.128 288 HB3 ASP 40 2HB ASP 40 4.660 1.266 -2.400 289 H TYR 41 H TYR 41 2.995 -1.517 -3.864 290 HA TYR 41 HA TYR 41 3.561 -0.443 -6.607 291 HB2 TYR 41 1HB TYR 41 4.773 -2.819 -5.150 292 HB3 TYR 41 2HB TYR 41 5.113 -2.323 -6.789 293 HD1 TYR 41 2HD TYR 41 5.480 -1.573 -3.213 294 HD2 TYR 41 1HD TYR 41 6.593 -0.376 -7.198 295 HE1 TYR 41 2HE TYR 41 7.287 -0.120 -2.268 296 HE2 TYR 41 1HE TYR 41 8.401 1.064 -6.262 297 HH TYR 41 HH TYR 41 8.989 1.338 -2.735 298 H CYS 42 H CYS 42 1.809 -2.901 -4.782 299 HA CYS 42 HA CYS 42 0.207 -3.391 -7.215 300 HB2 CYS 42 1HB CYS 42 0.144 -5.806 -6.953 301 HB3 CYS 42 2HB CYS 42 1.782 -5.234 -7.284 302 H SER 43 H SER 43 -1.645 -5.105 -6.431 303 HA SER 43 HA SER 43 -3.273 -3.631 -4.519 304 HB2 SER 43 1HB SER 43 -5.001 -5.303 -5.148 305 HB3 SER 43 2HB SER 43 -4.284 -4.466 -6.533 306 HG SER 43 HG SER 43 -4.443 -6.744 -6.864 307 H PHE 44 H PHE 44 -0.826 -5.710 -3.850 308 HA PHE 44 HA PHE 44 -1.886 -7.649 -2.115 309 HB2 PHE 44 1HB PHE 44 0.329 -7.761 -2.883 310 HB3 PHE 44 2HB PHE 44 0.770 -6.226 -2.179 311 HD1 PHE 44 1HD PHE 44 1.128 -6.002 0.294 312 HD2 PHE 44 2HD PHE 44 0.419 -9.818 -1.588 313 HE1 PHE 44 1HE PHE 44 2.068 -7.152 2.274 314 HE2 PHE 44 2HE PHE 44 1.376 -10.966 0.396 315 HZ PHE 44 HZ PHE 44 2.224 -9.633 2.318 316 H THR 45 H THR 45 -2.220 -7.781 0.030 317 HA THR 45 HA THR 45 -1.720 -5.546 1.855 318 HB THR 45 HB THR 45 -3.951 -5.817 2.926 319 HG1 THR 45 1HG THR 45 -5.626 -6.649 1.612 320 HG21 THR 45 3HG2 THR 45 -5.161 -4.372 1.371 321 HG22 THR 45 1HG2 THR 45 -4.008 -4.785 0.072 322 HG23 THR 45 2HG2 THR 45 -3.456 -3.917 1.528 323 H CYS 46 H CYS 46 -1.541 -6.116 3.995 324 HA CYS 46 HA CYS 46 -1.934 -8.935 4.801 325 HB2 CYS 46 1HB CYS 46 0.403 -8.701 3.835 326 HB3 CYS 46 2HB CYS 46 0.778 -7.579 5.157 327 HG CYS 46 HG CYS 46 -0.361 -10.714 5.340 328 H LEU 47 H LEU 47 -1.890 -9.278 7.084 329 HA LEU 47 HA LEU 47 -2.720 -6.981 8.721 330 HB2 LEU 47 1HB LEU 47 -2.311 -9.879 9.533 331 HB3 LEU 47 2HB LEU 47 -3.184 -8.637 10.425 332 HG LEU 47 HG LEU 47 -4.027 -9.895 7.779 333 HD11 LEU 47 1HD1 LEU 47 -5.857 -10.835 9.087 334 HD12 LEU 47 2HD1 LEU 47 -5.248 -10.052 10.562 335 HD13 LEU 47 3HD1 LEU 47 -4.300 -11.330 9.768 336 HD21 LEU 47 3HD2 LEU 47 -6.153 -8.660 8.047 337 HD22 LEU 47 1HD2 LEU 47 -4.788 -7.556 7.822 338 HD23 LEU 47 2HD2 LEU 47 -5.473 -7.793 9.443 339 H SER 48 H SER 48 0.281 -8.113 7.821 340 HA SER 48 HA SER 48 1.616 -7.042 10.280 341 HB2 SER 48 1HB SER 48 2.005 -9.408 10.211 342 HB3 SER 48 2HB SER 48 2.464 -9.343 8.499 343 HG SER 48 HG SER 48 4.215 -9.338 10.167 344 H LYS 49 H LYS 49 2.665 -5.313 10.019 345 HA LYS 49 HA LYS 49 3.437 -4.057 7.566 346 HB2 LYS 49 1HB LYS 49 5.018 -2.792 9.225 347 HB3 LYS 49 2HB LYS 49 3.287 -2.511 9.197 348 HG2 LYS 49 1HG LYS 49 3.006 -3.952 11.196 349 HG3 LYS 49 2HG LYS 49 4.761 -4.244 11.223 350 HD2 LYS 49 1HD LYS 49 5.178 -1.862 11.643 351 HD3 LYS 49 2HD LYS 49 3.478 -1.479 11.345 352 HE2 LYS 49 1HE LYS 49 3.761 -1.423 13.694 353 HE3 LYS 49 2HE LYS 49 2.815 -2.861 13.304 354 HZ1 LYS 49 3HZ LYS 49 4.853 -4.187 13.581 355 HZ2 LYS 49 1HZ LYS 49 4.569 -3.329 14.935 356 HZ3 LYS 49 2HZ LYS 49 5.733 -2.846 13.904 357 H GLY 50 H GLY 50 5.104 -6.319 9.704 358 HA2 GLY 50 1HA GLY 50 7.750 -6.078 8.556 359 HA3 GLY 50 2HA GLY 50 7.120 -7.406 9.540 360 H HIS 51 H HIS 51 4.954 -8.286 7.906 361 HA HIS 51 HA HIS 51 6.368 -9.683 5.800 362 HB2 HIS 51 1HB HIS 51 4.461 -10.652 7.049 363 HB3 HIS 51 2HB HIS 51 3.391 -9.474 6.274 364 HD1 HIS 51 1HD HIS 51 2.010 -11.157 4.777 365 HD2 HIS 51 2HD HIS 51 6.179 -11.504 4.406 366 HE1 HIS 51 1HE HIS 51 2.423 -12.723 2.804 367 H LEU 52 H LEU 52 4.186 -6.803 5.769 368 HA LEU 52 HA LEU 52 4.158 -6.459 2.946 369 HB2 LEU 52 1HB LEU 52 2.728 -5.101 4.370 370 HB3 LEU 52 2HB LEU 52 4.124 -4.421 5.208 371 HG LEU 52 HG LEU 52 4.875 -3.324 3.097 372 HD11 LEU 52 1HD1 LEU 52 2.213 -4.303 1.978 373 HD12 LEU 52 2HD1 LEU 52 3.820 -4.854 1.444 374 HD13 LEU 52 3HD1 LEU 52 3.360 -3.179 1.214 375 HD21 LEU 52 3HD2 LEU 52 3.430 -2.122 4.722 376 HD22 LEU 52 1HD2 LEU 52 2.025 -2.581 3.719 377 HD23 LEU 52 2HD2 LEU 52 3.298 -1.556 3.049 378 H LYS 53 H LYS 53 6.630 -5.392 5.345 379 HA LYS 53 HA LYS 53 8.359 -4.119 3.438 380 HB2 LYS 53 1HB LYS 53 8.686 -3.697 5.750 381 HB3 LYS 53 2HB LYS 53 8.831 -5.407 6.154 382 HG2 LYS 53 1HG LYS 53 10.959 -5.603 5.030 383 HG3 LYS 53 2HG LYS 53 10.853 -3.962 4.392 384 HD2 LYS 53 1HD LYS 53 10.915 -4.676 7.361 385 HD3 LYS 53 2HD LYS 53 12.357 -4.278 6.408 386 HE2 LYS 53 1HE LYS 53 11.380 -2.045 5.874 387 HE3 LYS 53 2HE LYS 53 9.977 -2.425 6.882 388 HZ1 LYS 53 3HZ LYS 53 12.780 -2.258 7.858 389 HZ2 LYS 53 1HZ LYS 53 11.487 -2.613 8.791 390 HZ3 LYS 53 2HZ LYS 53 11.625 -1.137 8.113 391 H VAL 54 H VAL 54 8.430 -7.514 4.642 392 HA VAL 54 HA VAL 54 10.532 -8.352 2.922 393 HB VAL 54 HB VAL 54 8.243 -9.961 4.119 394 HG11 VAL 54 1HG1 VAL 54 9.741 -11.942 3.763 395 HG12 VAL 54 2HG1 VAL 54 9.147 -11.248 2.255 396 HG13 VAL 54 3HG1 VAL 54 10.811 -10.919 2.772 397 HG21 VAL 54 3HG2 VAL 54 9.942 -10.642 5.751 398 HG22 VAL 54 1HG2 VAL 54 11.170 -9.658 4.916 399 HG23 VAL 54 2HG2 VAL 54 9.808 -8.880 5.741 400 H HIS 55 H HIS 55 7.004 -8.287 2.286 401 HA HIS 55 HA HIS 55 7.034 -9.486 -0.258 402 HB2 HIS 55 1HB HIS 55 4.949 -9.090 0.865 403 HB3 HIS 55 2HB HIS 55 5.262 -7.365 0.997 404 HD1 HIS 55 1HD HIS 55 4.211 -9.936 -1.648 405 HD2 HIS 55 2HD HIS 55 4.576 -5.792 -1.040 406 HE1 HIS 55 1HE HIS 55 3.159 -8.841 -3.679 407 H ILE 56 H ILE 56 7.529 -5.997 0.536 408 HA ILE 56 HA ILE 56 7.975 -5.297 -2.264 409 HB ILE 56 HB ILE 56 8.611 -3.834 0.307 410 HG12 ILE 56 1HG1 ILE 56 6.321 -3.329 -1.637 411 HG13 ILE 56 2HG1 ILE 56 6.146 -4.323 -0.201 412 HG21 ILE 56 1HG2 ILE 56 10.023 -3.058 -1.607 413 HG22 ILE 56 2HG2 ILE 56 8.549 -2.798 -2.570 414 HG23 ILE 56 3HG2 ILE 56 8.870 -1.822 -1.122 415 HD11 ILE 56 3HD1 ILE 56 5.313 -2.115 0.257 416 HD12 ILE 56 1HD1 ILE 56 6.746 -2.440 1.251 417 HD13 ILE 56 2HD1 ILE 56 6.862 -1.376 -0.176 418 H GLU 57 H GLU 57 10.136 -6.145 0.425 419 HA GLU 57 HA GLU 57 12.613 -5.662 -0.953 420 HB2 GLU 57 1HB GLU 57 11.878 -7.498 1.338 421 HB3 GLU 57 2HB GLU 57 13.528 -7.174 0.859 422 HG2 GLU 57 1HG GLU 57 11.802 -4.794 1.536 423 HG3 GLU 57 2HG GLU 57 12.330 -5.864 2.828 424 H ARG 58 H ARG 58 10.357 -8.212 -1.304 425 HA ARG 58 HA ARG 58 12.365 -9.890 -2.786 426 HB2 ARG 58 1HB ARG 58 11.241 -11.824 -2.255 427 HB3 ARG 58 2HB ARG 58 11.104 -10.850 -0.806 428 HG2 ARG 58 1HG ARG 58 8.782 -10.177 -1.610 429 HG3 ARG 58 2HG ARG 58 8.955 -11.437 -2.851 430 HD2 ARG 58 1HD ARG 58 9.285 -13.110 -1.023 431 HD3 ARG 58 2HD ARG 58 9.040 -11.809 0.156 432 HE ARG 58 HE ARG 58 6.935 -12.440 -1.878 433 HH11 ARG 58 1HH1 ARG 58 7.746 -12.477 1.537 434 HH12 ARG 58 2HH1 ARG 58 6.058 -12.521 2.006 435 HH21 ARG 58 2HH2 ARG 58 4.832 -12.690 -1.155 436 HH22 ARG 58 1HH2 ARG 58 4.518 -12.672 0.559 437 H VAL 59 H VAL 59 9.086 -8.517 -3.179 438 HA VAL 59 HA VAL 59 8.999 -9.616 -5.878 439 HB VAL 59 HB VAL 59 6.899 -7.907 -4.495 440 HG11 VAL 59 1HG1 VAL 59 6.728 -9.699 -6.957 441 HG12 VAL 59 2HG1 VAL 59 5.366 -8.863 -6.181 442 HG13 VAL 59 3HG1 VAL 59 6.640 -7.926 -6.954 443 HG21 VAL 59 3HG2 VAL 59 7.121 -9.952 -3.228 444 HG22 VAL 59 1HG2 VAL 59 5.689 -10.104 -4.232 445 HG23 VAL 59 2HG2 VAL 59 7.184 -10.934 -4.714 446 H HIS 60 H HIS 60 8.961 -6.357 -4.396 447 HA HIS 60 HA HIS 60 9.266 -5.097 -7.063 448 HB2 HIS 60 1HB HIS 60 8.399 -3.821 -4.482 449 HB3 HIS 60 2HB HIS 60 8.263 -3.156 -6.107 450 HD1 HIS 60 1HD HIS 60 6.502 -4.743 -7.766 451 HD2 HIS 60 2HD HIS 60 6.335 -5.039 -3.576 452 HE1 HIS 60 1HE HIS 60 4.225 -5.748 -7.234 453 H LYS 61 H LYS 61 11.453 -6.219 -5.297 454 HA LYS 61 HA LYS 61 13.132 -4.161 -4.315 455 HB2 LYS 61 1HB LYS 61 13.373 -6.416 -3.631 456 HB3 LYS 61 2HB LYS 61 13.603 -7.000 -5.269 457 HG2 LYS 61 1HG LYS 61 15.686 -7.049 -3.997 458 HG3 LYS 61 2HG LYS 61 15.811 -6.037 -5.424 459 HD2 LYS 61 1HD LYS 61 16.987 -5.112 -3.459 460 HD3 LYS 61 2HD LYS 61 15.759 -4.006 -4.079 461 HE2 LYS 61 1HE LYS 61 14.200 -4.660 -2.316 462 HE3 LYS 61 2HE LYS 61 15.308 -5.915 -1.744 463 HZ1 LYS 61 3HZ LYS 61 16.866 -4.181 -1.098 464 HZ2 LYS 61 1HZ LYS 61 15.405 -3.885 -0.412 465 HZ3 LYS 61 2HZ LYS 61 15.898 -3.000 -1.695 466 H LYS 62 H LYS 62 14.030 -2.591 -5.299 467 HA LYS 62 HA LYS 62 14.729 -1.141 -6.857 468 HB2 LYS 62 1HB LYS 62 16.732 -2.684 -6.315 469 HB3 LYS 62 2HB LYS 62 16.513 -3.346 -7.940 470 HG2 LYS 62 1HG LYS 62 16.778 -1.005 -8.861 471 HG3 LYS 62 2HG LYS 62 16.990 -0.424 -7.199 472 HD2 LYS 62 1HD LYS 62 19.025 -1.838 -6.964 473 HD3 LYS 62 2HD LYS 62 18.779 -2.455 -8.601 474 HE2 LYS 62 1HE LYS 62 20.475 -0.773 -8.717 475 HE3 LYS 62 2HE LYS 62 19.027 -0.142 -9.506 476 HZ1 LYS 62 3HZ LYS 62 18.563 1.177 -7.526 477 HZ2 LYS 62 1HZ LYS 62 20.089 1.483 -8.009 478 HZ3 LYS 62 2HZ LYS 62 19.835 0.517 -6.719 479 H ILE 63 H ILE 63 12.383 -1.848 -7.558 480 HA ILE 63 HA ILE 63 12.052 -2.822 -10.232 481 HB ILE 63 HB ILE 63 10.312 -2.887 -8.524 482 HG12 ILE 63 1HG1 ILE 63 9.406 -1.382 -11.005 483 HG13 ILE 63 2HG1 ILE 63 9.839 -3.094 -10.962 484 HG21 ILE 63 1HG2 ILE 63 8.991 -0.956 -7.907 485 HG22 ILE 63 2HG2 ILE 63 10.678 -0.597 -7.552 486 HG23 ILE 63 3HG2 ILE 63 9.914 0.092 -9.001 487 HD11 ILE 63 3HD1 ILE 63 8.033 -3.500 -9.285 488 HD12 ILE 63 1HD1 ILE 63 7.531 -1.800 -9.454 489 HD13 ILE 63 2HD1 ILE 63 7.436 -2.893 -10.841 490 H LYS 64 H LYS 64 11.863 -1.820 -12.192 491 HA LYS 64 HA LYS 64 13.599 0.417 -12.556 492 HB2 LYS 64 1HB LYS 64 11.795 -1.041 -14.525 493 HB3 LYS 64 2HB LYS 64 13.034 0.136 -14.978 494 HG2 LYS 64 1HG LYS 64 14.798 -1.269 -13.990 495 HG3 LYS 64 2HG LYS 64 13.592 -2.449 -13.450 496 HD2 LYS 64 1HD LYS 64 12.934 -2.863 -15.813 497 HD3 LYS 64 2HD LYS 64 14.201 -1.735 -16.349 498 HE2 LYS 64 1HE LYS 64 15.927 -3.141 -15.262 499 HE3 LYS 64 2HE LYS 64 14.676 -4.240 -14.667 500 HZ1 LYS 64 3HZ LYS 64 14.127 -4.770 -16.982 501 HZ2 LYS 64 1HZ LYS 64 15.698 -5.092 -16.691 502 HZ3 LYS 64 2HZ LYS 64 15.288 -3.761 -17.537 503 H GLN 65 H GLN 65 10.109 0.223 -12.932 504 HA GLN 65 HA GLN 65 8.459 1.712 -13.029 505 HB2 GLN 65 1HB GLN 65 10.098 2.495 -10.937 506 HB3 GLN 65 2HB GLN 65 9.948 3.981 -11.831 507 HG2 GLN 65 1HG GLN 65 8.206 3.954 -10.201 508 HG3 GLN 65 2HG GLN 65 7.435 3.747 -11.762 509 HE21 GLN 65 1HE2 GLN 65 5.843 3.089 -9.728 510 HE22 GLN 65 2HE2 GLN 65 5.768 1.344 -9.519 511 H HIS 66 H HIS 66 7.451 3.534 -13.942 512 HA HIS 66 HA HIS 66 9.091 5.399 -15.470 513 HB2 HIS 66 1HB HIS 66 7.838 5.228 -17.521 514 HB3 HIS 66 2HB HIS 66 8.558 3.673 -17.137 515 HD1 HIS 66 1HD HIS 66 6.832 1.650 -16.747 516 HD2 HIS 66 2HD HIS 66 5.109 5.454 -17.281 517 HE1 HIS 66 1HE HIS 66 4.330 1.265 -17.053 518 H CYS 67 H CYS 67 8.145 7.354 -15.915 519 HA CYS 67 HA CYS 67 6.511 8.447 -13.876 520 HB2 CYS 67 1HB CYS 67 8.378 9.495 -15.173 521 HB3 CYS 67 2HB CYS 67 7.347 9.497 -16.607 522 H ARG 68 H ARG 68 4.363 8.680 -13.679 523 HA ARG 68 HA ARG 68 2.554 7.824 -15.800 524 HB2 ARG 68 1HB ARG 68 0.769 8.127 -14.357 525 HB3 ARG 68 2HB ARG 68 2.070 7.478 -13.380 526 HG2 ARG 68 1HG ARG 68 1.119 10.387 -13.425 527 HG3 ARG 68 2HG ARG 68 0.739 9.170 -12.212 528 HD2 ARG 68 1HD ARG 68 3.291 9.004 -11.798 529 HD3 ARG 68 2HD ARG 68 3.411 10.486 -12.754 530 HE ARG 68 HE ARG 68 2.304 11.697 -11.083 531 HH11 ARG 68 2HH1 ARG 68 2.423 8.334 -10.081 532 HH12 ARG 68 1HH1 ARG 68 2.031 8.721 -8.430 533 HH21 ARG 68 2HH2 ARG 68 1.807 12.106 -8.947 534 HH22 ARG 68 1HH2 ARG 68 1.690 10.793 -7.818 535 H PHE 69 H PHE 69 4.027 10.857 -15.126 536 HA PHE 69 HA PHE 69 1.929 12.415 -16.487 537 HB2 PHE 69 1HB PHE 69 4.633 13.258 -15.432 538 HB3 PHE 69 2HB PHE 69 3.374 14.327 -16.013 539 HD1 PHE 69 2HD PHE 69 0.984 13.980 -14.764 540 HD2 PHE 69 1HD PHE 69 4.856 13.041 -13.119 541 HE1 PHE 69 2HE PHE 69 0.097 14.324 -12.471 542 HE2 PHE 69 1HE PHE 69 3.990 13.458 -10.834 543 HZ PHE 69 HZ PHE 69 1.604 14.099 -10.506 544 H CYS 70 H CYS 70 5.315 11.416 -17.182 545 HA CYS 70 HA CYS 70 4.939 12.296 -20.006 546 HB2 CYS 70 1HB CYS 70 7.124 13.169 -20.113 547 HB3 CYS 70 2HB CYS 70 6.228 13.936 -18.808 548 H LYS 71 H LYS 71 5.228 9.539 -18.336 549 HA LYS 71 HA LYS 71 5.696 7.390 -18.832 550 HB2 LYS 71 1HB LYS 71 5.252 8.459 -21.616 551 HB3 LYS 71 2HB LYS 71 5.569 6.764 -21.305 552 HG2 LYS 71 1HG LYS 71 3.212 7.104 -21.486 553 HG3 LYS 71 2HG LYS 71 3.620 6.565 -19.860 554 HD2 LYS 71 1HD LYS 71 3.235 8.793 -18.953 555 HD3 LYS 71 2HD LYS 71 3.051 9.473 -20.591 556 HE2 LYS 71 1HE LYS 71 1.050 8.053 -20.937 557 HE3 LYS 71 2HE LYS 71 1.257 7.350 -19.327 558 HZ1 LYS 71 3HZ LYS 71 0.882 9.556 -18.370 559 HZ2 LYS 71 1HZ LYS 71 -0.380 9.151 -19.322 560 HZ3 LYS 71 2HZ LYS 71 0.723 10.228 -19.858 561 H LYS 72 H LYS 72 8.030 9.348 -18.736 562 HA LYS 72 HA LYS 72 10.263 7.873 -19.935 563 HB2 LYS 72 1HB LYS 72 10.090 10.407 -19.261 564 HB3 LYS 72 2HB LYS 72 10.352 9.850 -17.624 565 HG2 LYS 72 1HG LYS 72 12.513 8.907 -18.199 566 HG3 LYS 72 2HG LYS 72 12.222 9.153 -19.933 567 HD2 LYS 72 1HD LYS 72 12.184 11.594 -19.618 568 HD3 LYS 72 2HD LYS 72 12.473 11.411 -17.889 569 HE2 LYS 72 1HE LYS 72 14.336 10.426 -20.107 570 HE3 LYS 72 2HE LYS 72 14.517 11.965 -19.256 571 HZ1 LYS 72 3HZ LYS 72 14.749 10.711 -17.179 572 HZ2 LYS 72 1HZ LYS 72 15.926 10.303 -18.243 573 HZ3 LYS 72 2HZ LYS 72 14.674 9.285 -17.985 574 H LYS 73 H LYS 73 11.183 6.242 -19.368 575 HA LYS 73 HA LYS 73 10.709 4.732 -16.910 576 HB2 LYS 73 1HB LYS 73 10.898 3.533 -18.961 577 HB3 LYS 73 2HB LYS 73 12.369 4.403 -19.436 578 HG2 LYS 73 1HG LYS 73 13.623 3.395 -17.678 579 HG3 LYS 73 2HG LYS 73 12.182 2.552 -17.056 580 HD2 LYS 73 1HD LYS 73 12.023 1.257 -19.140 581 HD3 LYS 73 2HD LYS 73 13.383 2.135 -19.844 582 HE2 LYS 73 1HE LYS 73 13.564 0.397 -17.338 583 HE3 LYS 73 2HE LYS 73 13.898 -0.176 -18.974 584 HZ1 LYS 73 3HZ LYS 73 15.654 1.564 -19.115 585 HZ2 LYS 73 1HZ LYS 73 15.963 0.444 -17.977 586 HZ3 LYS 73 2HZ LYS 73 15.456 1.911 -17.524 587 H TYR 74 H TYR 74 12.084 4.510 -15.129 588 HA TYR 74 HA TYR 74 14.444 6.360 -15.127 589 HB2 TYR 74 1HB TYR 74 12.058 6.160 -13.400 590 HB3 TYR 74 2HB TYR 74 13.574 6.333 -12.526 591 HD1 TYR 74 1HD TYR 74 11.260 7.979 -14.864 592 HD2 TYR 74 2HD TYR 74 15.115 8.183 -12.991 593 HE1 TYR 74 1HE TYR 74 11.636 10.232 -15.879 594 HE2 TYR 74 2HE TYR 74 15.460 10.465 -13.890 595 HH TYR 74 HH TYR 74 14.680 12.079 -15.269 596 H SER 75 H SER 75 13.950 3.145 -14.982 597 HA SER 75 HA SER 75 15.158 1.351 -14.396 598 HB2 SER 75 1HB SER 75 17.485 3.274 -14.289 599 HB3 SER 75 2HB SER 75 17.597 1.503 -14.351 600 HG SER 75 HG SER 75 17.740 2.566 -16.429 601 H ASP 76 H ASP 76 14.759 3.695 -12.065 602 HA ASP 76 HA ASP 76 14.610 1.690 -9.976 603 HB2 ASP 76 1HB ASP 76 16.999 2.774 -9.878 604 HB3 ASP 76 2HB ASP 76 16.167 4.228 -9.361 605 H VAL 77 H VAL 77 12.689 2.175 -8.909 606 HA VAL 77 HA VAL 77 11.067 4.449 -9.406 607 HB VAL 77 HB VAL 77 10.302 2.364 -8.308 608 HG11 VAL 77 1HG1 VAL 77 10.575 1.961 -5.940 609 HG12 VAL 77 2HG1 VAL 77 12.185 2.085 -6.657 610 HG13 VAL 77 3HG1 VAL 77 11.509 3.447 -5.726 611 HG21 VAL 77 3HG2 VAL 77 8.990 4.514 -8.178 612 HG22 VAL 77 1HG2 VAL 77 8.672 3.384 -6.850 613 HG23 VAL 77 2HG2 VAL 77 9.704 4.799 -6.584 614 H LYS 78 H LYS 78 13.725 4.074 -7.038 615 HA LYS 78 HA LYS 78 13.234 6.483 -5.558 616 HB2 LYS 78 1HB LYS 78 15.841 5.008 -6.131 617 HB3 LYS 78 2HB LYS 78 15.662 6.323 -4.962 618 HG2 LYS 78 1HG LYS 78 13.989 5.015 -3.697 619 HG3 LYS 78 2HG LYS 78 14.153 3.669 -4.840 620 HD2 LYS 78 1HD LYS 78 16.552 3.451 -4.256 621 HD3 LYS 78 2HD LYS 78 16.397 4.805 -3.112 622 HE2 LYS 78 1HE LYS 78 14.666 3.519 -1.854 623 HE3 LYS 78 2HE LYS 78 14.868 2.166 -2.975 624 HZ1 LYS 78 3HZ LYS 78 17.191 1.996 -2.240 625 HZ2 LYS 78 1HZ LYS 78 16.190 1.855 -0.958 626 HZ3 LYS 78 2HZ LYS 78 17.000 3.248 -1.205 627 H ASN 79 H ASN 79 14.858 6.032 -8.688 628 HA ASN 79 HA ASN 79 15.792 8.804 -8.804 629 HB2 ASN 79 1HB ASN 79 15.336 6.814 -11.064 630 HB3 ASN 79 2HB ASN 79 16.286 8.299 -11.144 631 HD21 ASN 79 1HD2 ASN 79 17.131 5.657 -11.873 632 HD22 ASN 79 2HD2 ASN 79 18.528 5.335 -10.847 633 H LEU 80 H LEU 80 12.887 7.046 -9.907 634 HA LEU 80 HA LEU 80 11.772 9.113 -11.496 635 HB2 LEU 80 1HB LEU 80 10.976 6.745 -11.499 636 HB3 LEU 80 2HB LEU 80 10.403 6.951 -9.845 637 HG LEU 80 HG LEU 80 8.758 8.630 -10.570 638 HD11 LEU 80 1HD1 LEU 80 9.499 7.870 -13.412 639 HD12 LEU 80 2HD1 LEU 80 10.013 9.390 -12.649 640 HD13 LEU 80 3HD1 LEU 80 8.301 9.071 -12.858 641 HD21 LEU 80 3HD2 LEU 80 8.093 6.295 -10.421 642 HD22 LEU 80 1HD2 LEU 80 8.607 6.021 -12.108 643 HD23 LEU 80 2HD2 LEU 80 7.248 7.107 -11.748 644 H ILE 81 H ILE 81 11.466 8.473 -7.965 645 HA ILE 81 HA ILE 81 9.463 10.384 -7.386 646 HB ILE 81 HB ILE 81 11.810 9.769 -5.564 647 HG12 ILE 81 1HG1 ILE 81 11.075 7.642 -6.130 648 HG13 ILE 81 2HG1 ILE 81 10.424 7.978 -4.580 649 HG21 ILE 81 1HG2 ILE 81 10.126 10.188 -3.771 650 HG22 ILE 81 2HG2 ILE 81 10.426 11.613 -4.770 651 HG23 ILE 81 3HG2 ILE 81 8.948 10.660 -5.016 652 HD11 ILE 81 3HD1 ILE 81 8.866 8.023 -7.194 653 HD12 ILE 81 1HD1 ILE 81 8.724 6.850 -5.875 654 HD13 ILE 81 2HD1 ILE 81 8.193 8.520 -5.624 655 H LYS 82 H LYS 82 13.003 10.821 -7.407 656 HA LYS 82 HA LYS 82 12.984 13.635 -6.867 657 HB2 LYS 82 1HB LYS 82 14.934 12.090 -6.613 658 HB3 LYS 82 2HB LYS 82 15.050 11.937 -8.370 659 HG2 LYS 82 1HG LYS 82 15.506 14.361 -8.563 660 HG3 LYS 82 2HG LYS 82 15.355 14.553 -6.814 661 HD2 LYS 82 1HD LYS 82 17.427 12.849 -8.271 662 HD3 LYS 82 2HD LYS 82 17.723 14.460 -7.634 663 HE2 LYS 82 1HE LYS 82 16.972 12.025 -5.946 664 HE3 LYS 82 2HE LYS 82 18.614 12.609 -6.208 665 HZ1 LYS 82 3HZ LYS 82 16.468 14.166 -4.865 666 HZ2 LYS 82 1HZ LYS 82 17.985 14.709 -5.146 667 HZ3 LYS 82 2HZ LYS 82 17.741 13.458 -4.129 668 H HIS 83 H HIS 83 12.925 11.895 -10.014 669 HA HIS 83 HA HIS 83 12.856 14.219 -11.696 670 HB2 HIS 83 1HB HIS 83 13.194 12.129 -12.731 671 HB3 HIS 83 2HB HIS 83 11.790 11.395 -11.975 672 HD1 HIS 83 1HD HIS 83 12.577 13.908 -14.787 673 HD2 HIS 83 2HD HIS 83 9.466 11.577 -13.201 674 HE1 HIS 83 1HE HIS 83 10.676 14.087 -16.447 675 H ILE 84 H ILE 84 10.098 12.482 -10.134 676 HA ILE 84 HA ILE 84 8.092 14.272 -11.140 677 HB ILE 84 HB ILE 84 8.228 12.412 -8.764 678 HG12 ILE 84 1HG1 ILE 84 6.482 12.309 -11.264 679 HG13 ILE 84 2HG1 ILE 84 8.093 11.593 -11.195 680 HG21 ILE 84 1HG2 ILE 84 6.745 14.144 -7.998 681 HG22 ILE 84 2HG2 ILE 84 5.905 14.213 -9.563 682 HG23 ILE 84 3HG2 ILE 84 5.739 12.798 -8.499 683 HD11 ILE 84 3HD1 ILE 84 5.724 10.788 -9.481 684 HD12 ILE 84 1HD1 ILE 84 6.526 9.854 -10.758 685 HD13 ILE 84 2HD1 ILE 84 7.393 10.217 -9.243 686 H ARG 85 H ARG 85 9.916 14.366 -8.061 687 HA ARG 85 HA ARG 85 8.759 16.847 -7.190 688 HB2 ARG 85 1HB ARG 85 11.400 15.522 -6.447 689 HB3 ARG 85 2HB ARG 85 10.741 16.964 -5.659 690 HG2 ARG 85 1HG ARG 85 8.574 15.612 -5.322 691 HG3 ARG 85 2HG ARG 85 9.497 14.178 -5.706 692 HD2 ARG 85 1HD ARG 85 10.963 14.529 -3.810 693 HD3 ARG 85 2HD ARG 85 10.250 16.113 -3.482 694 HE ARG 85 HE ARG 85 9.169 13.504 -2.744 695 HH11 ARG 85 2HH1 ARG 85 8.185 16.879 -3.245 696 HH12 ARG 85 1HH1 ARG 85 6.675 16.567 -2.374 697 HH21 ARG 85 1HH2 ARG 85 7.174 13.371 -1.634 698 HH22 ARG 85 2HH2 ARG 85 6.186 14.834 -1.572 699 H ASP 86 H ASP 86 11.414 16.382 -9.427 700 HA ASP 86 HA ASP 86 12.067 19.262 -9.370 701 HB2 ASP 86 1HB ASP 86 13.202 16.893 -10.888 702 HB3 ASP 86 2HB ASP 86 13.727 18.554 -11.125 703 H ALA 87 H ALA 87 10.503 17.018 -11.686 704 HA ALA 87 HA ALA 87 10.180 19.234 -13.640 705 HB1 ALA 87 1HB ALA 87 9.848 17.443 -15.253 706 HB2 ALA 87 2HB ALA 87 11.321 17.136 -14.313 707 HB3 ALA 87 3HB ALA 87 9.832 16.228 -13.963 708 H HIS 88 H HIS 88 8.194 17.204 -11.547 709 HA HIS 88 HA HIS 88 5.699 18.403 -12.661 710 HB2 HIS 88 1HB HIS 88 6.050 15.582 -11.607 711 HB3 HIS 88 2HB HIS 88 4.636 16.268 -12.379 712 HD1 HIS 88 1HD HIS 88 5.260 17.023 -15.160 713 HD2 HIS 88 2HD HIS 88 7.394 14.041 -13.116 714 HE1 HIS 88 1HE HIS 88 6.274 15.535 -16.963 715 H ASP 89 H ASP 89 7.365 19.214 -10.383 716 HA ASP 89 HA ASP 89 7.252 18.529 -7.971 717 HB2 ASP 89 1HB ASP 89 7.249 20.737 -7.112 718 HB3 ASP 89 2HB ASP 89 8.185 20.574 -8.580 719 HA PRO 90 HA PRO 90 2.994 17.738 -6.595 720 HB2 PRO 90 1HB PRO 90 4.612 16.638 -4.302 721 HB3 PRO 90 2HB PRO 90 3.183 15.929 -5.115 722 HG2 PRO 90 1HG PRO 90 5.673 15.000 -5.653 723 HG3 PRO 90 2HG PRO 90 4.502 15.257 -6.991 724 HD2 PRO 90 1HD PRO 90 6.756 17.094 -6.103 725 HD3 PRO 90 2HD PRO 90 6.283 16.572 -7.748 726 H GLN 91 H GLN 91 1.720 18.433 -4.811 727 HA GLN 91 HA GLN 91 2.551 20.920 -3.538 728 HB2 GLN 91 1HB GLN 91 -0.047 19.336 -3.315 729 HB3 GLN 91 2HB GLN 91 0.242 20.958 -2.707 730 HG2 GLN 91 1HG GLN 91 -0.896 21.356 -4.682 731 HG3 GLN 91 2HG GLN 91 0.780 21.673 -5.101 732 HE21 GLN 91 1HE2 GLN 91 -0.346 21.419 -7.338 733 HE22 GLN 91 2HE2 GLN 91 -0.380 19.784 -7.986 734 H ASP 92 H ASP 92 3.163 17.789 -2.622 735 HA ASP 92 HA ASP 92 3.371 18.432 0.280 736 HB2 ASP 92 1HB ASP 92 1.314 17.129 -0.060 737 HB3 ASP 92 2HB ASP 92 2.217 15.887 -0.919 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -30.440 -16.225 -23.485 2 H2 GLY 1 2H GLY 1 -29.375 -16.035 -22.253 3 H3 GLY 1 3H GLY 1 -29.013 -17.033 -23.498 4 HA2 GLY 1 1HA GLY 1 -28.922 -15.191 -25.040 5 HA3 GLY 1 2HA GLY 1 -29.333 -14.106 -23.698 6 H SER 2 H SER 2 -27.027 -13.796 -25.285 7 HA SER 2 HA SER 2 -24.661 -14.927 -24.148 8 HB2 SER 2 1HB SER 2 -24.990 -12.334 -25.701 9 HB3 SER 2 2HB SER 2 -23.474 -13.215 -25.430 10 HG SER 2 HG SER 2 -24.416 -13.705 -27.474 11 H SER 3 H SER 3 -23.085 -14.090 -22.779 12 HA SER 3 HA SER 3 -23.978 -12.591 -20.521 13 HB2 SER 3 1HB SER 3 -21.141 -13.300 -21.350 14 HB3 SER 3 2HB SER 3 -21.669 -12.786 -19.736 15 HG SER 3 HG SER 3 -21.511 -15.077 -19.920 16 H GLY 4 H GLY 4 -23.520 -10.554 -19.765 17 HA2 GLY 4 1HA GLY 4 -21.611 -8.722 -20.714 18 HA3 GLY 4 2HA GLY 4 -23.104 -8.377 -21.587 19 H SER 5 H SER 5 -21.734 -6.651 -19.726 20 HA SER 5 HA SER 5 -23.971 -5.876 -18.017 21 HB2 SER 5 1HB SER 5 -22.666 -7.595 -16.655 22 HB3 SER 5 2HB SER 5 -21.300 -6.471 -16.689 23 HG SER 5 HG SER 5 -23.893 -6.110 -15.551 24 H SER 6 H SER 6 -23.541 -3.781 -16.929 25 HA SER 6 HA SER 6 -21.331 -2.104 -17.876 26 HB2 SER 6 1HB SER 6 -22.769 -0.444 -18.976 27 HB3 SER 6 2HB SER 6 -22.847 -2.005 -19.800 28 HG SER 6 HG SER 6 -24.927 -1.080 -19.520 29 H GLY 7 H GLY 7 -21.524 0.164 -17.032 30 HA2 GLY 7 1HA GLY 7 -22.078 1.775 -15.476 31 HA3 GLY 7 2HA GLY 7 -23.447 0.799 -14.962 32 H LYS 8 H LYS 8 -23.214 -0.620 -13.215 33 HA LYS 8 HA LYS 8 -22.708 -0.889 -11.013 34 HB2 LYS 8 1HB LYS 8 -19.987 -1.477 -12.196 35 HB3 LYS 8 2HB LYS 8 -20.467 -1.807 -10.528 36 HG2 LYS 8 1HG LYS 8 -22.313 -3.259 -11.322 37 HG3 LYS 8 2HG LYS 8 -21.777 -3.006 -12.994 38 HD2 LYS 8 1HD LYS 8 -19.557 -4.003 -12.425 39 HD3 LYS 8 2HD LYS 8 -20.055 -4.142 -10.740 40 HE2 LYS 8 1HE LYS 8 -20.313 -6.299 -11.535 41 HE3 LYS 8 2HE LYS 8 -21.957 -5.661 -11.511 42 HZ1 LYS 8 3HZ LYS 8 -21.418 -6.859 -13.579 43 HZ2 LYS 8 1HZ LYS 8 -20.225 -5.805 -13.931 44 HZ3 LYS 8 2HZ LYS 8 -21.793 -5.326 -13.926 45 HA PRO 9 HA PRO 9 -21.189 3.559 -10.807 46 HB2 PRO 9 1HB PRO 9 -23.325 4.474 -9.241 47 HB3 PRO 9 2HB PRO 9 -23.245 4.452 -11.014 48 HG2 PRO 9 1HG PRO 9 -24.564 2.438 -9.226 49 HG3 PRO 9 2HG PRO 9 -25.197 3.183 -10.723 50 HD2 PRO 9 1HD PRO 9 -24.064 0.726 -10.746 51 HD3 PRO 9 2HD PRO 9 -23.770 1.877 -12.080 52 H TYR 10 H TYR 10 -22.311 1.414 -8.241 53 HA TYR 10 HA TYR 10 -21.085 3.000 -6.111 54 HB2 TYR 10 1HB TYR 10 -22.459 0.295 -6.074 55 HB3 TYR 10 2HB TYR 10 -21.924 1.199 -4.657 56 HD1 TYR 10 1HD TYR 10 -24.348 1.069 -7.435 57 HD2 TYR 10 2HD TYR 10 -23.107 3.243 -3.926 58 HE1 TYR 10 1HE TYR 10 -26.489 2.290 -7.455 59 HE2 TYR 10 2HE TYR 10 -25.261 4.504 -3.958 60 HH TYR 10 HH TYR 10 -27.791 3.897 -6.426 61 H LYS 11 H LYS 11 -18.950 3.016 -6.180 62 HA LYS 11 HA LYS 11 -17.379 0.550 -6.851 63 HB2 LYS 11 1HB LYS 11 -16.876 3.459 -7.428 64 HB3 LYS 11 2HB LYS 11 -15.720 2.158 -7.758 65 HG2 LYS 11 1HG LYS 11 -17.122 1.126 -9.375 66 HG3 LYS 11 2HG LYS 11 -18.559 2.019 -8.865 67 HD2 LYS 11 1HD LYS 11 -17.478 4.119 -9.554 68 HD3 LYS 11 2HD LYS 11 -16.143 3.177 -10.252 69 HE2 LYS 11 1HE LYS 11 -19.066 3.306 -11.099 70 HE3 LYS 11 2HE LYS 11 -17.666 3.856 -12.016 71 HZ1 LYS 11 3HZ LYS 11 -18.420 1.059 -11.418 72 HZ2 LYS 11 1HZ LYS 11 -16.985 1.462 -12.144 73 HZ3 LYS 11 2HZ LYS 11 -18.424 1.757 -12.878 74 H CYS 12 H CYS 12 -15.504 0.021 -5.716 75 HA CYS 12 HA CYS 12 -15.520 0.811 -2.956 76 HB2 CYS 12 1HB CYS 12 -15.214 -1.450 -3.699 77 HB3 CYS 12 2HB CYS 12 -13.726 -1.025 -4.552 78 HA PRO 13 HA PRO 13 -12.314 3.992 -3.483 79 HB2 PRO 13 1HB PRO 13 -12.084 4.766 -0.873 80 HB3 PRO 13 2HB PRO 13 -13.497 5.179 -1.889 81 HG2 PRO 13 1HG PRO 13 -13.240 3.020 0.198 82 HG3 PRO 13 2HG PRO 13 -14.617 4.110 -0.118 83 HD2 PRO 13 1HD PRO 13 -14.387 1.486 -1.087 84 HD3 PRO 13 2HD PRO 13 -15.418 2.746 -1.817 85 H GLN 14 H GLN 14 -12.061 0.918 -2.075 86 HA GLN 14 HA GLN 14 -9.211 1.270 -1.253 87 HB2 GLN 14 1HB GLN 14 -11.104 -0.910 -0.343 88 HB3 GLN 14 2HB GLN 14 -9.553 -0.437 0.340 89 HG2 GLN 14 1HG GLN 14 -10.659 1.865 0.775 90 HG3 GLN 14 2HG GLN 14 -12.192 1.068 0.406 91 HE21 GLN 14 1HE2 GLN 14 -9.378 0.837 2.680 92 HE22 GLN 14 2HE2 GLN 14 -10.370 0.166 3.970 93 H CYS 15 H CYS 15 -11.343 -0.675 -3.333 94 HA CYS 15 HA CYS 15 -8.906 -1.675 -4.688 95 HB2 CYS 15 1HB CYS 15 -9.559 -3.981 -4.659 96 HB3 CYS 15 2HB CYS 15 -9.458 -3.391 -3.006 97 H SER 16 H SER 16 -9.939 -3.310 -6.564 98 HA SER 16 HA SER 16 -11.120 -1.424 -8.438 99 HB2 SER 16 1HB SER 16 -10.792 -3.267 -10.063 100 HB3 SER 16 2HB SER 16 -9.326 -2.860 -9.157 101 HG SER 16 HG SER 16 -9.685 -5.137 -9.284 102 H TYR 17 H TYR 17 -12.639 -3.270 -6.146 103 HA TYR 17 HA TYR 17 -14.745 -4.576 -7.500 104 HB2 TYR 17 1HB TYR 17 -14.160 -4.992 -5.193 105 HB3 TYR 17 2HB TYR 17 -14.563 -3.343 -4.738 106 HD1 TYR 17 1HD TYR 17 -15.940 -6.603 -5.927 107 HD2 TYR 17 2HD TYR 17 -16.898 -2.738 -4.255 108 HE1 TYR 17 1HE TYR 17 -18.244 -7.394 -5.385 109 HE2 TYR 17 2HE TYR 17 -19.177 -3.547 -3.678 110 HH TYR 17 HH TYR 17 -20.526 -5.398 -3.515 111 H ALA 18 H ALA 18 -16.853 -4.105 -7.945 112 HA ALA 18 HA ALA 18 -18.006 -1.497 -7.377 113 HB1 ALA 18 1HB ALA 18 -18.525 -0.936 -9.675 114 HB2 ALA 18 2HB ALA 18 -16.775 -1.180 -9.558 115 HB3 ALA 18 3HB ALA 18 -17.796 -2.447 -10.270 116 H SER 19 H SER 19 -20.285 -1.428 -7.642 117 HA SER 19 HA SER 19 -21.748 -3.860 -8.492 118 HB2 SER 19 1HB SER 19 -21.383 -4.067 -6.025 119 HB3 SER 19 2HB SER 19 -22.210 -2.512 -5.804 120 HG SER 19 HG SER 19 -23.245 -4.996 -6.699 121 H ALA 20 H ALA 20 -23.990 -3.483 -8.922 122 HA ALA 20 HA ALA 20 -24.762 -0.736 -9.622 123 HB1 ALA 20 1HB ALA 20 -26.213 -3.384 -9.968 124 HB2 ALA 20 2HB ALA 20 -26.685 -1.823 -10.672 125 HB3 ALA 20 3HB ALA 20 -25.177 -2.597 -11.186 126 H ILE 21 H ILE 21 -24.810 -2.410 -6.739 127 HA ILE 21 HA ILE 21 -27.296 -1.035 -5.780 128 HB ILE 21 HB ILE 21 -26.238 -3.740 -4.919 129 HG12 ILE 21 1HG1 ILE 21 -28.634 -3.088 -6.701 130 HG13 ILE 21 2HG1 ILE 21 -27.138 -3.861 -7.227 131 HG21 ILE 21 1HG2 ILE 21 -28.379 -3.930 -3.678 132 HG22 ILE 21 2HG2 ILE 21 -27.465 -2.548 -3.127 133 HG23 ILE 21 3HG2 ILE 21 -28.842 -2.308 -4.223 134 HD11 ILE 21 3HD1 ILE 21 -28.767 -5.568 -7.035 135 HD12 ILE 21 1HD1 ILE 21 -27.615 -5.788 -5.704 136 HD13 ILE 21 2HD1 ILE 21 -29.224 -5.080 -5.400 137 H LYS 22 H LYS 22 -27.095 0.225 -4.054 138 HA LYS 22 HA LYS 22 -24.648 1.011 -2.885 139 HB2 LYS 22 1HB LYS 22 -26.740 2.309 -2.978 140 HB3 LYS 22 2HB LYS 22 -27.457 1.269 -1.744 141 HG2 LYS 22 1HG LYS 22 -25.884 2.009 -0.075 142 HG3 LYS 22 2HG LYS 22 -24.854 2.799 -1.292 143 HD2 LYS 22 1HD LYS 22 -26.600 4.397 -1.820 144 HD3 LYS 22 2HD LYS 22 -27.728 3.631 -0.698 145 HE2 LYS 22 1HE LYS 22 -25.056 4.851 0.147 146 HE3 LYS 22 2HE LYS 22 -26.561 5.772 0.089 147 HZ1 LYS 22 3HZ LYS 22 -26.142 3.369 1.789 148 HZ2 LYS 22 1HZ LYS 22 -27.520 4.245 1.710 149 HZ3 LYS 22 2HZ LYS 22 -26.164 4.914 2.313 150 H ALA 23 H ALA 23 -27.094 -1.214 -1.474 151 HA ALA 23 HA ALA 23 -25.685 -1.762 0.914 152 HB1 ALA 23 1HB ALA 23 -27.636 -3.531 -0.635 153 HB2 ALA 23 2HB ALA 23 -27.195 -3.709 1.077 154 HB3 ALA 23 3HB ALA 23 -28.070 -2.263 0.538 155 H ASN 24 H ASN 24 -25.220 -3.183 -2.312 156 HA ASN 24 HA ASN 24 -23.491 -5.336 -1.345 157 HB2 ASN 24 1HB ASN 24 -24.346 -4.353 -4.066 158 HB3 ASN 24 2HB ASN 24 -22.978 -5.430 -3.911 159 HD21 ASN 24 1HD2 ASN 24 -26.467 -5.229 -2.986 160 HD22 ASN 24 2HD2 ASN 24 -26.673 -6.970 -3.036 161 H LEU 25 H LEU 25 -22.967 -1.976 -2.121 162 HA LEU 25 HA LEU 25 -20.035 -2.319 -2.047 163 HB2 LEU 25 1HB LEU 25 -20.964 -0.512 -3.369 164 HB3 LEU 25 2HB LEU 25 -21.789 0.156 -1.958 165 HG LEU 25 HG LEU 25 -19.597 0.631 -0.884 166 HD11 LEU 25 1HD1 LEU 25 -18.166 -1.083 -1.935 167 HD12 LEU 25 2HD1 LEU 25 -17.537 0.532 -2.233 168 HD13 LEU 25 3HD1 LEU 25 -18.408 -0.325 -3.527 169 HD21 LEU 25 3HD2 LEU 25 -18.958 2.486 -2.316 170 HD22 LEU 25 1HD2 LEU 25 -20.724 2.335 -2.275 171 HD23 LEU 25 2HD2 LEU 25 -19.810 1.761 -3.689 172 H ASN 26 H ASN 26 -22.619 -1.400 0.246 173 HA ASN 26 HA ASN 26 -20.827 -0.679 2.398 174 HB2 ASN 26 1HB ASN 26 -23.776 -1.445 2.314 175 HB3 ASN 26 2HB ASN 26 -22.934 -1.104 3.823 176 HD21 ASN 26 1HD2 ASN 26 -23.529 0.349 0.599 177 HD22 ASN 26 2HD2 ASN 26 -23.508 2.004 1.208 178 H VAL 27 H VAL 27 -22.414 -3.777 1.581 179 HA VAL 27 HA VAL 27 -21.370 -5.269 3.779 180 HB VAL 27 HB VAL 27 -23.188 -5.868 2.129 181 HG11 VAL 27 1HG1 VAL 27 -22.739 -7.080 0.167 182 HG12 VAL 27 2HG1 VAL 27 -21.886 -5.525 0.109 183 HG13 VAL 27 3HG1 VAL 27 -20.984 -7.026 0.442 184 HG21 VAL 27 3HG2 VAL 27 -22.391 -7.410 3.885 185 HG22 VAL 27 1HG2 VAL 27 -22.859 -8.280 2.412 186 HG23 VAL 27 2HG2 VAL 27 -21.138 -8.017 2.780 187 H HIS 28 H HIS 28 -19.942 -4.311 0.738 188 HA HIS 28 HA HIS 28 -17.851 -6.270 0.727 189 HB2 HIS 28 1HB HIS 28 -18.743 -5.411 -1.292 190 HB3 HIS 28 2HB HIS 28 -18.406 -3.742 -0.852 191 HD1 HIS 28 1HD HIS 28 -16.439 -6.786 -2.108 192 HD2 HIS 28 2HD HIS 28 -15.966 -2.741 -1.062 193 HE1 HIS 28 1HE HIS 28 -14.044 -6.191 -2.698 194 H LEU 29 H LEU 29 -17.959 -2.868 1.753 195 HA LEU 29 HA LEU 29 -15.172 -2.510 2.244 196 HB2 LEU 29 1HB LEU 29 -17.561 -1.268 3.648 197 HB3 LEU 29 2HB LEU 29 -15.908 -0.662 3.746 198 HG LEU 29 HG LEU 29 -17.422 -0.819 1.113 199 HD11 LEU 29 1HD1 LEU 29 -18.650 0.632 2.682 200 HD12 LEU 29 2HD1 LEU 29 -17.887 1.572 1.391 201 HD13 LEU 29 3HD1 LEU 29 -17.158 1.541 3.014 202 HD21 LEU 29 3HD2 LEU 29 -15.817 0.874 0.394 203 HD22 LEU 29 1HD2 LEU 29 -14.987 -0.616 0.862 204 HD23 LEU 29 2HD2 LEU 29 -14.981 0.786 1.956 205 H ARG 30 H ARG 30 -17.498 -4.338 4.047 206 HA ARG 30 HA ARG 30 -16.309 -4.443 6.626 207 HB2 ARG 30 1HB ARG 30 -17.834 -6.621 5.133 208 HB3 ARG 30 2HB ARG 30 -17.551 -6.581 6.860 209 HG2 ARG 30 1HG ARG 30 -18.884 -4.530 7.101 210 HG3 ARG 30 2HG ARG 30 -19.147 -4.467 5.350 211 HD2 ARG 30 1HD ARG 30 -20.301 -6.652 5.425 212 HD3 ARG 30 2HD ARG 30 -20.059 -6.711 7.187 213 HE ARG 30 HE ARG 30 -21.357 -4.257 6.496 214 HH11 ARG 30 2HH1 ARG 30 -22.140 -7.667 6.711 215 HH12 ARG 30 1HH1 ARG 30 -23.834 -7.355 6.970 216 HH21 ARG 30 2HH2 ARG 30 -23.529 -3.931 6.851 217 HH22 ARG 30 1HH2 ARG 30 -24.592 -5.293 7.045 218 H LYS 31 H LYS 31 -15.283 -5.959 3.668 219 HA LYS 31 HA LYS 31 -13.549 -8.011 4.824 220 HB2 LYS 31 1HB LYS 31 -13.475 -6.696 2.070 221 HB3 LYS 31 2HB LYS 31 -12.689 -8.215 2.528 222 HG2 LYS 31 1HG LYS 31 -14.910 -9.244 2.923 223 HG3 LYS 31 2HG LYS 31 -15.690 -7.704 2.509 224 HD2 LYS 31 1HD LYS 31 -14.343 -7.871 0.270 225 HD3 LYS 31 2HD LYS 31 -14.184 -9.591 0.666 226 HE2 LYS 31 1HE LYS 31 -16.772 -7.997 0.622 227 HE3 LYS 31 2HE LYS 31 -16.176 -8.910 -0.777 228 HZ1 LYS 31 3HZ LYS 31 -16.325 -10.948 0.562 229 HZ2 LYS 31 1HZ LYS 31 -17.786 -10.235 0.467 230 HZ3 LYS 31 2HZ LYS 31 -16.915 -10.120 1.842 231 H HIS 32 H HIS 32 -13.118 -4.695 3.778 232 HA HIS 32 HA HIS 32 -10.223 -4.721 3.936 233 HB2 HIS 32 1HB HIS 32 -12.218 -2.471 3.566 234 HB3 HIS 32 2HB HIS 32 -10.477 -2.322 3.360 235 HD1 HIS 32 1HD HIS 32 -9.672 -4.592 1.483 236 HD2 HIS 32 2HD HIS 32 -13.237 -2.387 1.183 237 HE1 HIS 32 1HE HIS 32 -10.397 -4.791 -0.934 238 H THR 33 H THR 33 -12.324 -4.642 6.523 239 HA THR 33 HA THR 33 -11.201 -2.463 8.067 240 HB THR 33 HB THR 33 -12.551 -3.342 9.908 241 HG1 THR 33 1HG THR 33 -13.816 -5.193 9.521 242 HG21 THR 33 3HG2 THR 33 -13.637 -1.949 8.152 243 HG22 THR 33 1HG2 THR 33 -14.753 -3.093 8.919 244 HG23 THR 33 2HG2 THR 33 -14.114 -3.427 7.295 245 H GLY 34 H GLY 34 -10.410 -2.852 10.345 246 HA2 GLY 34 1HA GLY 34 -8.884 -3.754 11.858 247 HA3 GLY 34 2HA GLY 34 -8.681 -5.164 10.822 248 H GLU 35 H GLU 35 -6.387 -4.683 11.638 249 HA GLU 35 HA GLU 35 -4.973 -2.490 10.277 250 HB2 GLU 35 1HB GLU 35 -4.143 -4.606 12.261 251 HB3 GLU 35 2HB GLU 35 -2.944 -3.648 11.365 252 HG2 GLU 35 1HG GLU 35 -3.876 -1.567 12.122 253 HG3 GLU 35 2HG GLU 35 -5.235 -2.379 12.883 254 H LYS 36 H LYS 36 -5.210 -2.757 8.245 255 HA LYS 36 HA LYS 36 -3.787 -5.036 6.915 256 HB2 LYS 36 1HB LYS 36 -6.048 -3.334 5.801 257 HB3 LYS 36 2HB LYS 36 -5.090 -4.526 4.901 258 HG2 LYS 36 1HG LYS 36 -5.746 -6.161 6.848 259 HG3 LYS 36 2HG LYS 36 -7.034 -5.006 7.186 260 HD2 LYS 36 1HD LYS 36 -8.016 -5.357 4.979 261 HD3 LYS 36 2HD LYS 36 -6.568 -6.210 4.424 262 HE2 LYS 36 1HE LYS 36 -8.014 -7.970 4.838 263 HE3 LYS 36 2HE LYS 36 -6.981 -7.919 6.266 264 HZ1 LYS 36 3HZ LYS 36 -9.794 -7.020 6.024 265 HZ2 LYS 36 1HZ LYS 36 -8.884 -6.545 7.301 266 HZ3 LYS 36 2HZ LYS 36 -9.197 -8.136 7.043 267 H PHE 37 H PHE 37 -1.956 -4.689 6.228 268 HA PHE 37 HA PHE 37 -0.887 -1.985 5.657 269 HB2 PHE 37 1HB PHE 37 0.462 -4.676 6.130 270 HB3 PHE 37 2HB PHE 37 1.278 -3.137 5.934 271 HD1 PHE 37 1HD PHE 37 -0.874 -5.127 8.214 272 HD2 PHE 37 2HD PHE 37 1.433 -1.516 7.737 273 HE1 PHE 37 1HE PHE 37 -0.972 -4.744 10.658 274 HE2 PHE 37 2HE PHE 37 1.328 -1.134 10.179 275 HZ PHE 37 HZ PHE 37 0.119 -2.739 11.651 276 H ALA 38 H ALA 38 -1.252 -1.425 3.586 277 HA ALA 38 HA ALA 38 -1.369 -3.422 1.439 278 HB1 ALA 38 1HB ALA 38 -1.896 -0.425 1.392 279 HB2 ALA 38 2HB ALA 38 -2.296 -1.587 0.116 280 HB3 ALA 38 3HB ALA 38 -3.127 -1.678 1.686 281 H CYS 39 H CYS 39 -0.154 -3.529 -0.433 282 HA CYS 39 HA CYS 39 2.535 -2.482 -0.416 283 HB2 CYS 39 1HB CYS 39 1.833 -4.614 -1.284 284 HB3 CYS 39 2HB CYS 39 0.833 -3.833 -2.512 285 H ASP 40 H ASP 40 3.451 -0.903 -1.510 286 HA ASP 40 HA ASP 40 1.760 1.296 -2.527 287 HB2 ASP 40 1HB ASP 40 3.682 1.657 -0.934 288 HB3 ASP 40 2HB ASP 40 4.782 1.150 -2.213 289 H TYR 41 H TYR 41 3.094 -1.501 -3.799 290 HA TYR 41 HA TYR 41 3.646 -0.326 -6.505 291 HB2 TYR 41 1HB TYR 41 4.814 -2.787 -5.156 292 HB3 TYR 41 2HB TYR 41 5.112 -2.276 -6.802 293 HD1 TYR 41 2HD TYR 41 5.546 -1.481 -3.229 294 HD2 TYR 41 1HD TYR 41 6.747 -0.518 -7.252 295 HE1 TYR 41 2HE TYR 41 7.466 -0.131 -2.339 296 HE2 TYR 41 1HE TYR 41 8.676 0.792 -6.379 297 HH TYR 41 HH TYR 41 9.788 1.526 -4.511 298 H CYS 42 H CYS 42 1.840 -2.805 -4.755 299 HA CYS 42 HA CYS 42 0.228 -3.178 -7.201 300 HB2 CYS 42 1HB CYS 42 0.135 -5.596 -7.048 301 HB3 CYS 42 2HB CYS 42 1.782 -5.033 -7.341 302 H SER 43 H SER 43 -1.684 -4.814 -6.544 303 HA SER 43 HA SER 43 -3.268 -3.448 -4.538 304 HB2 SER 43 1HB SER 43 -3.892 -5.982 -6.094 305 HB3 SER 43 2HB SER 43 -5.051 -4.956 -5.226 306 HG SER 43 HG SER 43 -4.999 -4.501 -7.481 307 H PHE 44 H PHE 44 -0.851 -5.550 -3.907 308 HA PHE 44 HA PHE 44 -1.974 -7.587 -2.308 309 HB2 PHE 44 1HB PHE 44 0.250 -7.688 -3.119 310 HB3 PHE 44 2HB PHE 44 0.728 -6.240 -2.269 311 HD1 PHE 44 2HD PHE 44 -0.029 -9.850 -1.913 312 HD2 PHE 44 1HD PHE 44 1.334 -6.282 0.097 313 HE1 PHE 44 2HE PHE 44 0.823 -11.226 -0.026 314 HE2 PHE 44 1HE PHE 44 2.197 -7.661 1.963 315 HZ PHE 44 HZ PHE 44 1.945 -10.137 1.908 316 H THR 45 H THR 45 -2.188 -7.858 -0.131 317 HA THR 45 HA THR 45 -1.673 -5.678 1.762 318 HB THR 45 HB THR 45 -3.861 -6.047 2.888 319 HG1 THR 45 1HG THR 45 -4.475 -7.985 1.799 320 HG21 THR 45 3HG2 THR 45 -4.020 -4.900 0.086 321 HG22 THR 45 1HG2 THR 45 -3.469 -4.078 1.570 322 HG23 THR 45 2HG2 THR 45 -5.160 -4.588 1.422 323 H CYS 46 H CYS 46 -1.347 -6.305 3.840 324 HA CYS 46 HA CYS 46 -1.628 -9.171 4.579 325 HB2 CYS 46 1HB CYS 46 0.730 -8.611 3.631 326 HB3 CYS 46 2HB CYS 46 0.975 -7.714 5.140 327 HG CYS 46 HG CYS 46 0.142 -10.904 4.638 328 H LEU 47 H LEU 47 -1.149 -9.496 6.954 329 HA LEU 47 HA LEU 47 -2.471 -7.355 8.500 330 HB2 LEU 47 1HB LEU 47 -2.765 -10.172 8.410 331 HB3 LEU 47 2HB LEU 47 -1.969 -9.852 9.941 332 HG LEU 47 HG LEU 47 -3.787 -8.118 10.419 333 HD11 LEU 47 1HD1 LEU 47 -5.877 -8.287 9.112 334 HD12 LEU 47 2HD1 LEU 47 -5.114 -9.456 8.007 335 HD13 LEU 47 3HD1 LEU 47 -4.551 -7.776 8.060 336 HD21 LEU 47 3HD2 LEU 47 -4.686 -10.990 9.933 337 HD22 LEU 47 1HD2 LEU 47 -5.486 -9.809 10.996 338 HD23 LEU 47 2HD2 LEU 47 -3.856 -10.383 11.383 339 H SER 48 H SER 48 0.608 -7.716 7.785 340 HA SER 48 HA SER 48 1.483 -6.347 10.255 341 HB2 SER 48 1HB SER 48 2.083 -8.655 10.742 342 HB3 SER 48 2HB SER 48 2.862 -8.824 9.157 343 HG SER 48 HG SER 48 4.275 -8.326 11.015 344 H LYS 49 H LYS 49 2.756 -4.762 9.928 345 HA LYS 49 HA LYS 49 3.676 -3.754 7.425 346 HB2 LYS 49 1HB LYS 49 5.313 -2.500 9.008 347 HB3 LYS 49 2HB LYS 49 3.599 -2.118 9.018 348 HG2 LYS 49 1HG LYS 49 3.309 -3.448 11.090 349 HG3 LYS 49 2HG LYS 49 5.034 -3.876 11.057 350 HD2 LYS 49 1HD LYS 49 5.653 -1.518 11.361 351 HD3 LYS 49 2HD LYS 49 3.974 -1.016 11.140 352 HE2 LYS 49 1HE LYS 49 4.402 -0.911 13.471 353 HE3 LYS 49 2HE LYS 49 3.319 -2.273 13.183 354 HZ1 LYS 49 3HZ LYS 49 6.258 -2.489 13.616 355 HZ2 LYS 49 1HZ LYS 49 5.249 -3.760 13.392 356 HZ3 LYS 49 2HZ LYS 49 5.121 -2.839 14.729 357 H GLY 50 H GLY 50 5.171 -6.034 9.679 358 HA2 GLY 50 1HA GLY 50 7.837 -5.966 8.531 359 HA3 GLY 50 2HA GLY 50 7.147 -7.209 9.582 360 H HIS 51 H HIS 51 4.973 -8.107 8.043 361 HA HIS 51 HA HIS 51 6.227 -9.696 5.962 362 HB2 HIS 51 1HB HIS 51 3.307 -9.232 6.632 363 HB3 HIS 51 2HB HIS 51 3.922 -10.457 5.518 364 HD1 HIS 51 1HD HIS 51 2.242 -11.328 8.040 365 HD2 HIS 51 2HD HIS 51 6.440 -11.153 7.783 366 HE1 HIS 51 1HE HIS 51 3.134 -12.909 9.832 367 H LEU 52 H LEU 52 4.211 -6.723 5.896 368 HA LEU 52 HA LEU 52 4.077 -6.470 3.062 369 HB2 LEU 52 1HB LEU 52 2.694 -5.106 4.514 370 HB3 LEU 52 2HB LEU 52 4.116 -4.408 5.295 371 HG LEU 52 HG LEU 52 4.772 -3.300 3.177 372 HD11 LEU 52 1HD1 LEU 52 3.736 -4.848 1.538 373 HD12 LEU 52 2HD1 LEU 52 3.197 -3.191 1.339 374 HD13 LEU 52 3HD1 LEU 52 2.119 -4.372 2.116 375 HD21 LEU 52 3HD2 LEU 52 1.908 -2.645 3.869 376 HD22 LEU 52 1HD2 LEU 52 3.136 -1.575 3.183 377 HD23 LEU 52 2HD2 LEU 52 3.316 -2.152 4.848 378 H LYS 53 H LYS 53 6.664 -5.329 5.357 379 HA LYS 53 HA LYS 53 8.352 -4.175 3.364 380 HB2 LYS 53 1HB LYS 53 8.804 -3.654 5.607 381 HB3 LYS 53 2HB LYS 53 8.717 -5.331 6.131 382 HG2 LYS 53 1HG LYS 53 10.830 -5.858 5.029 383 HG3 LYS 53 2HG LYS 53 10.969 -4.192 4.424 384 HD2 LYS 53 1HD LYS 53 11.286 -3.326 6.645 385 HD3 LYS 53 2HD LYS 53 10.597 -4.780 7.381 386 HE2 LYS 53 1HE LYS 53 12.854 -5.003 7.797 387 HE3 LYS 53 2HE LYS 53 12.500 -6.113 6.468 388 HZ1 LYS 53 3HZ LYS 53 14.572 -4.773 6.166 389 HZ2 LYS 53 1HZ LYS 53 13.693 -3.404 6.093 390 HZ3 LYS 53 2HZ LYS 53 13.556 -4.551 4.926 391 H VAL 54 H VAL 54 8.319 -7.551 4.666 392 HA VAL 54 HA VAL 54 10.341 -8.527 2.946 393 HB VAL 54 HB VAL 54 7.968 -10.010 4.135 394 HG11 VAL 54 1HG1 VAL 54 9.432 -12.057 3.776 395 HG12 VAL 54 2HG1 VAL 54 8.733 -11.381 2.307 396 HG13 VAL 54 3HG1 VAL 54 10.443 -11.064 2.691 397 HG21 VAL 54 3HG2 VAL 54 9.606 -10.780 5.766 398 HG22 VAL 54 1HG2 VAL 54 10.909 -9.904 4.922 399 HG23 VAL 54 2HG2 VAL 54 9.614 -9.014 5.742 400 H HIS 55 H HIS 55 6.806 -8.361 2.285 401 HA HIS 55 HA HIS 55 6.850 -9.511 -0.280 402 HB2 HIS 55 1HB HIS 55 4.756 -9.058 0.825 403 HB3 HIS 55 2HB HIS 55 5.101 -7.335 0.931 404 HD1 HIS 55 1HD HIS 55 4.066 -9.933 -1.711 405 HD2 HIS 55 2HD HIS 55 4.487 -5.794 -1.116 406 HE1 HIS 55 1HE HIS 55 3.084 -8.834 -3.775 407 H ILE 56 H ILE 56 7.391 -6.032 0.541 408 HA ILE 56 HA ILE 56 7.867 -5.319 -2.238 409 HB ILE 56 HB ILE 56 8.490 -3.886 0.351 410 HG12 ILE 56 1HG1 ILE 56 6.261 -3.374 -1.670 411 HG13 ILE 56 2HG1 ILE 56 6.043 -4.331 -0.210 412 HG21 ILE 56 1HG2 ILE 56 9.976 -3.108 -1.501 413 HG22 ILE 56 2HG2 ILE 56 8.541 -2.824 -2.515 414 HG23 ILE 56 3HG2 ILE 56 8.819 -1.864 -1.048 415 HD11 ILE 56 3HD1 ILE 56 5.204 -2.126 0.190 416 HD12 ILE 56 1HD1 ILE 56 6.641 -2.395 1.196 417 HD13 ILE 56 2HD1 ILE 56 6.743 -1.381 -0.267 418 H GLU 57 H GLU 57 10.006 -6.211 0.442 419 HA GLU 57 HA GLU 57 12.521 -5.757 -0.860 420 HB2 GLU 57 1HB GLU 57 11.648 -7.573 1.409 421 HB3 GLU 57 2HB GLU 57 13.322 -7.328 0.996 422 HG2 GLU 57 1HG GLU 57 11.683 -4.851 1.537 423 HG3 GLU 57 2HG GLU 57 12.022 -5.942 2.874 424 H ARG 58 H ARG 58 10.236 -8.265 -1.333 425 HA ARG 58 HA ARG 58 12.279 -9.943 -2.773 426 HB2 ARG 58 1HB ARG 58 11.185 -11.880 -2.197 427 HB3 ARG 58 2HB ARG 58 11.010 -10.876 -0.778 428 HG2 ARG 58 1HG ARG 58 8.677 -10.274 -1.611 429 HG3 ARG 58 2HG ARG 58 8.892 -11.556 -2.826 430 HD2 ARG 58 1HD ARG 58 9.344 -13.156 -0.932 431 HD3 ARG 58 2HD ARG 58 8.972 -11.830 0.195 432 HE ARG 58 HE ARG 58 6.836 -12.244 -1.717 433 HH11 ARG 58 2HH1 ARG 58 8.117 -13.669 1.216 434 HH12 ARG 58 1HH1 ARG 58 6.574 -14.331 1.678 435 HH21 ARG 58 2HH2 ARG 58 4.901 -13.155 -1.081 436 HH22 ARG 58 1HH2 ARG 58 4.811 -14.045 0.407 437 H VAL 59 H VAL 59 9.012 -8.559 -3.164 438 HA VAL 59 HA VAL 59 8.931 -9.636 -5.872 439 HB VAL 59 HB VAL 59 6.844 -7.920 -4.478 440 HG11 VAL 59 1HG1 VAL 59 6.597 -7.871 -6.935 441 HG12 VAL 59 2HG1 VAL 59 6.666 -9.645 -6.985 442 HG13 VAL 59 3HG1 VAL 59 5.309 -8.815 -6.195 443 HG21 VAL 59 3HG2 VAL 59 5.606 -10.105 -4.266 444 HG22 VAL 59 1HG2 VAL 59 7.083 -10.947 -4.780 445 HG23 VAL 59 2HG2 VAL 59 7.048 -10.012 -3.266 446 H HIS 60 H HIS 60 8.958 -6.393 -4.346 447 HA HIS 60 HA HIS 60 9.315 -5.120 -6.995 448 HB2 HIS 60 1HB HIS 60 8.406 -3.861 -4.424 449 HB3 HIS 60 2HB HIS 60 8.312 -3.174 -6.038 450 HD1 HIS 60 1HD HIS 60 6.541 -4.656 -7.757 451 HD2 HIS 60 2HD HIS 60 6.305 -5.077 -3.584 452 HE1 HIS 60 1HE HIS 60 4.223 -5.592 -7.286 453 H LYS 61 H LYS 61 11.511 -6.251 -5.235 454 HA LYS 61 HA LYS 61 13.162 -4.043 -4.380 455 HB2 LYS 61 1HB LYS 61 13.204 -6.300 -3.467 456 HB3 LYS 61 2HB LYS 61 13.850 -6.958 -4.954 457 HG2 LYS 61 1HG LYS 61 15.243 -4.851 -3.221 458 HG3 LYS 61 2HG LYS 61 15.452 -6.582 -3.012 459 HD2 LYS 61 1HD LYS 61 16.366 -4.937 -5.393 460 HD3 LYS 61 2HD LYS 61 17.348 -5.742 -4.175 461 HE2 LYS 61 1HE LYS 61 16.378 -7.952 -4.942 462 HE3 LYS 61 2HE LYS 61 15.577 -7.086 -6.262 463 HZ1 LYS 61 3HZ LYS 61 18.519 -7.191 -5.832 464 HZ2 LYS 61 1HZ LYS 61 17.778 -6.392 -7.054 465 HZ3 LYS 61 2HZ LYS 61 17.703 -8.020 -6.974 466 H LYS 62 H LYS 62 14.213 -2.667 -5.563 467 HA LYS 62 HA LYS 62 14.908 -1.479 -7.342 468 HB2 LYS 62 1HB LYS 62 16.874 -3.034 -6.747 469 HB3 LYS 62 2HB LYS 62 16.454 -3.949 -8.188 470 HG2 LYS 62 1HG LYS 62 18.221 -2.499 -8.792 471 HG3 LYS 62 2HG LYS 62 16.788 -1.781 -9.523 472 HD2 LYS 62 1HD LYS 62 16.672 -0.123 -7.660 473 HD3 LYS 62 2HD LYS 62 18.084 -0.895 -6.904 474 HE2 LYS 62 1HE LYS 62 19.384 -0.421 -9.018 475 HE3 LYS 62 2HE LYS 62 17.981 0.465 -9.633 476 HZ1 LYS 62 3HZ LYS 62 18.186 1.981 -7.728 477 HZ2 LYS 62 1HZ LYS 62 19.551 1.977 -8.600 478 HZ3 LYS 62 2HZ LYS 62 19.504 1.167 -7.177 479 H ILE 63 H ILE 63 12.484 -2.138 -7.762 480 HA ILE 63 HA ILE 63 11.993 -3.246 -10.422 481 HB ILE 63 HB ILE 63 10.456 -3.487 -8.488 482 HG12 ILE 63 1HG1 ILE 63 9.127 -2.203 -10.899 483 HG13 ILE 63 2HG1 ILE 63 9.761 -3.855 -10.855 484 HG21 ILE 63 1HG2 ILE 63 9.598 -0.624 -9.045 485 HG22 ILE 63 2HG2 ILE 63 9.008 -1.706 -7.775 486 HG23 ILE 63 3HG2 ILE 63 10.650 -1.078 -7.689 487 HD11 ILE 63 3HD1 ILE 63 7.496 -2.736 -9.151 488 HD12 ILE 63 1HD1 ILE 63 7.368 -3.886 -10.489 489 HD13 ILE 63 2HD1 ILE 63 8.183 -4.375 -8.992 490 H LYS 64 H LYS 64 11.017 -2.094 -12.173 491 HA LYS 64 HA LYS 64 12.120 0.594 -12.683 492 HB2 LYS 64 1HB LYS 64 10.366 -1.246 -14.364 493 HB3 LYS 64 2HB LYS 64 11.026 0.286 -14.924 494 HG2 LYS 64 1HG LYS 64 12.740 -2.081 -14.037 495 HG3 LYS 64 2HG LYS 64 12.256 -1.754 -15.700 496 HD2 LYS 64 1HD LYS 64 13.428 0.415 -15.662 497 HD3 LYS 64 2HD LYS 64 13.940 0.125 -13.983 498 HE2 LYS 64 1HE LYS 64 15.196 -1.851 -14.630 499 HE3 LYS 64 2HE LYS 64 14.581 -1.766 -16.286 500 HZ1 LYS 64 3HZ LYS 64 16.845 -0.826 -16.041 501 HZ2 LYS 64 1HZ LYS 64 16.273 0.350 -15.053 502 HZ3 LYS 64 2HZ LYS 64 15.792 0.285 -16.609 503 H GLN 65 H GLN 65 10.956 2.394 -13.196 504 HA GLN 65 HA GLN 65 8.057 2.576 -12.476 505 HB2 GLN 65 1HB GLN 65 10.291 4.581 -11.856 506 HB3 GLN 65 2HB GLN 65 8.572 4.874 -11.708 507 HG2 GLN 65 1HG GLN 65 9.389 4.553 -9.561 508 HG3 GLN 65 2HG GLN 65 8.344 3.192 -9.970 509 HE21 GLN 65 1HE2 GLN 65 11.814 3.289 -11.038 510 HE22 GLN 65 2HE2 GLN 65 12.221 1.950 -9.970 511 H HIS 66 H HIS 66 6.985 4.446 -13.627 512 HA HIS 66 HA HIS 66 8.577 5.676 -15.749 513 HB2 HIS 66 1HB HIS 66 7.166 5.223 -17.568 514 HB3 HIS 66 2HB HIS 66 7.524 3.676 -16.822 515 HD1 HIS 66 1HD HIS 66 5.392 2.371 -15.744 516 HD2 HIS 66 2HD HIS 66 4.635 6.142 -17.443 517 HE1 HIS 66 1HE HIS 66 2.859 2.565 -15.950 518 H CYS 67 H CYS 67 7.867 7.612 -16.542 519 HA CYS 67 HA CYS 67 6.445 9.315 -14.712 520 HB2 CYS 67 1HB CYS 67 8.446 9.915 -16.018 521 HB3 CYS 67 2HB CYS 67 7.535 9.700 -17.520 522 H ARG 68 H ARG 68 4.407 9.937 -14.650 523 HA ARG 68 HA ARG 68 2.478 8.898 -16.595 524 HB2 ARG 68 1HB ARG 68 0.757 9.628 -15.115 525 HB3 ARG 68 2HB ARG 68 2.002 8.767 -14.246 526 HG2 ARG 68 1HG ARG 68 1.390 10.503 -12.817 527 HG3 ARG 68 2HG ARG 68 2.940 11.001 -13.471 528 HD2 ARG 68 1HD ARG 68 1.387 12.878 -13.307 529 HD3 ARG 68 2HD ARG 68 1.809 12.575 -14.993 530 HE ARG 68 HE ARG 68 -0.641 11.224 -14.152 531 HH11 ARG 68 2HH1 ARG 68 0.541 14.308 -15.307 532 HH12 ARG 68 1HH1 ARG 68 -0.997 14.738 -16.012 533 HH21 ARG 68 2HH2 ARG 68 -2.574 11.834 -15.069 534 HH22 ARG 68 1HH2 ARG 68 -2.714 13.374 -15.860 535 H PHE 69 H PHE 69 4.371 11.608 -16.703 536 HA PHE 69 HA PHE 69 2.384 13.212 -18.263 537 HB2 PHE 69 1HB PHE 69 5.145 13.910 -17.280 538 HB3 PHE 69 2HB PHE 69 4.065 14.991 -18.130 539 HD1 PHE 69 1HD PHE 69 4.824 13.361 -14.910 540 HD2 PHE 69 2HD PHE 69 2.150 16.023 -16.997 541 HE1 PHE 69 1HE PHE 69 3.962 14.203 -12.737 542 HE2 PHE 69 2HE PHE 69 1.301 16.873 -14.822 543 HZ PHE 69 HZ PHE 69 2.207 15.964 -12.690 544 H CYS 70 H CYS 70 5.589 11.623 -18.627 545 HA CYS 70 HA CYS 70 5.409 12.015 -21.575 546 HB2 CYS 70 1HB CYS 70 7.673 12.635 -21.741 547 HB3 CYS 70 2HB CYS 70 6.830 13.720 -20.642 548 H LYS 71 H LYS 71 5.347 9.615 -19.407 549 HA LYS 71 HA LYS 71 5.727 7.392 -19.394 550 HB2 LYS 71 1HB LYS 71 5.810 7.653 -22.411 551 HB3 LYS 71 2HB LYS 71 5.527 6.173 -21.518 552 HG2 LYS 71 1HG LYS 71 3.706 8.622 -21.458 553 HG3 LYS 71 2HG LYS 71 3.465 7.204 -22.460 554 HD2 LYS 71 1HD LYS 71 3.455 7.162 -19.407 555 HD3 LYS 71 2HD LYS 71 2.029 7.246 -20.445 556 HE2 LYS 71 1HE LYS 71 2.717 5.098 -21.537 557 HE3 LYS 71 2HE LYS 71 4.055 4.964 -20.389 558 HZ1 LYS 71 3HZ LYS 71 2.075 3.709 -19.688 559 HZ2 LYS 71 1HZ LYS 71 1.186 5.073 -19.611 560 HZ3 LYS 71 2HZ LYS 71 2.446 4.846 -18.584 561 H LYS 72 H LYS 72 8.219 9.231 -19.610 562 HA LYS 72 HA LYS 72 10.368 7.554 -20.515 563 HB2 LYS 72 1HB LYS 72 10.392 10.084 -20.051 564 HB3 LYS 72 2HB LYS 72 10.450 9.694 -18.345 565 HG2 LYS 72 1HG LYS 72 12.578 8.513 -18.627 566 HG3 LYS 72 2HG LYS 72 12.488 8.681 -20.389 567 HD2 LYS 72 1HD LYS 72 12.747 11.092 -20.250 568 HD3 LYS 72 2HD LYS 72 12.613 11.059 -18.485 569 HE2 LYS 72 1HE LYS 72 14.655 9.543 -18.444 570 HE3 LYS 72 2HE LYS 72 14.839 9.839 -20.179 571 HZ1 LYS 72 3HZ LYS 72 16.192 11.372 -18.874 572 HZ2 LYS 72 1HZ LYS 72 14.890 11.898 -18.041 573 HZ3 LYS 72 2HZ LYS 72 15.035 12.231 -19.643 574 H LYS 73 H LYS 73 11.517 5.952 -19.483 575 HA LYS 73 HA LYS 73 10.411 4.890 -16.954 576 HB2 LYS 73 1HB LYS 73 12.283 3.733 -19.033 577 HB3 LYS 73 2HB LYS 73 12.043 2.975 -17.448 578 HG2 LYS 73 1HG LYS 73 9.626 2.833 -17.813 579 HG3 LYS 73 2HG LYS 73 9.788 3.625 -19.390 580 HD2 LYS 73 1HD LYS 73 11.150 1.745 -20.220 581 HD3 LYS 73 2HD LYS 73 11.080 0.966 -18.620 582 HE2 LYS 73 1HE LYS 73 8.616 0.841 -18.774 583 HE3 LYS 73 2HE LYS 73 8.659 1.638 -20.352 584 HZ1 LYS 73 3HZ LYS 73 9.924 -0.265 -21.209 585 HZ2 LYS 73 1HZ LYS 73 8.503 -0.775 -20.590 586 HZ3 LYS 73 2HZ LYS 73 9.884 -1.005 -19.751 587 H TYR 74 H TYR 74 11.429 4.543 -15.118 588 HA TYR 74 HA TYR 74 14.102 5.796 -14.631 589 HB2 TYR 74 1HB TYR 74 11.431 6.468 -13.381 590 HB3 TYR 74 2HB TYR 74 12.899 6.597 -12.426 591 HD1 TYR 74 1HD TYR 74 11.215 7.913 -15.515 592 HD2 TYR 74 2HD TYR 74 14.467 8.340 -12.711 593 HE1 TYR 74 1HE TYR 74 11.922 10.005 -16.657 594 HE2 TYR 74 2HE TYR 74 15.190 10.422 -13.867 595 HH TYR 74 HH TYR 74 14.861 11.810 -15.609 596 H SER 75 H SER 75 15.433 4.517 -13.536 597 HA SER 75 HA SER 75 14.485 1.944 -12.503 598 HB2 SER 75 1HB SER 75 17.294 3.098 -12.581 599 HB3 SER 75 2HB SER 75 16.849 1.425 -12.204 600 HG SER 75 HG SER 75 16.651 2.811 -14.665 601 H ASP 76 H ASP 76 14.868 4.979 -11.057 602 HA ASP 76 HA ASP 76 14.528 3.786 -8.359 603 HB2 ASP 76 1HB ASP 76 16.460 6.039 -9.061 604 HB3 ASP 76 2HB ASP 76 15.910 5.675 -7.427 605 H VAL 77 H VAL 77 12.738 4.585 -7.437 606 HA VAL 77 HA VAL 77 11.062 6.413 -8.814 607 HB VAL 77 HB VAL 77 10.313 4.634 -7.266 608 HG11 VAL 77 1HG1 VAL 77 11.863 5.025 -5.357 609 HG12 VAL 77 2HG1 VAL 77 10.984 6.528 -4.980 610 HG13 VAL 77 3HG1 VAL 77 10.163 4.964 -4.879 611 HG21 VAL 77 3HG2 VAL 77 8.790 6.448 -8.005 612 HG22 VAL 77 1HG2 VAL 77 8.375 5.812 -6.404 613 HG23 VAL 77 2HG2 VAL 77 9.203 7.374 -6.546 614 H LYS 78 H LYS 78 13.336 7.063 -6.151 615 HA LYS 78 HA LYS 78 12.507 9.706 -5.504 616 HB2 LYS 78 1HB LYS 78 15.307 8.489 -5.509 617 HB3 LYS 78 2HB LYS 78 14.883 10.040 -4.771 618 HG2 LYS 78 1HG LYS 78 13.262 8.904 -3.277 619 HG3 LYS 78 2HG LYS 78 13.714 7.335 -3.973 620 HD2 LYS 78 1HD LYS 78 16.065 7.695 -3.253 621 HD3 LYS 78 2HD LYS 78 15.611 9.227 -2.499 622 HE2 LYS 78 1HE LYS 78 14.459 6.493 -1.757 623 HE3 LYS 78 2HE LYS 78 15.812 7.263 -0.926 624 HZ1 LYS 78 3HZ LYS 78 14.331 9.107 -0.336 625 HZ2 LYS 78 1HZ LYS 78 13.750 7.698 0.241 626 HZ3 LYS 78 2HZ LYS 78 13.062 8.378 -1.070 627 H ASN 79 H ASN 79 14.589 8.637 -8.170 628 HA ASN 79 HA ASN 79 15.100 11.374 -9.102 629 HB2 ASN 79 1HB ASN 79 15.613 8.617 -10.329 630 HB3 ASN 79 2HB ASN 79 16.093 10.137 -11.080 631 HD21 ASN 79 1HD2 ASN 79 18.062 8.341 -10.660 632 HD22 ASN 79 2HD2 ASN 79 19.075 8.881 -9.329 633 H LEU 80 H LEU 80 12.572 8.967 -9.704 634 HA LEU 80 HA LEU 80 11.499 10.304 -12.024 635 HB2 LEU 80 1HB LEU 80 10.872 7.981 -11.409 636 HB3 LEU 80 2HB LEU 80 10.099 8.595 -9.938 637 HG LEU 80 HG LEU 80 8.456 9.854 -11.236 638 HD11 LEU 80 1HD1 LEU 80 9.736 8.555 -13.675 639 HD12 LEU 80 2HD1 LEU 80 9.789 10.294 -13.297 640 HD13 LEU 80 3HD1 LEU 80 8.251 9.531 -13.646 641 HD21 LEU 80 3HD2 LEU 80 7.174 7.986 -12.068 642 HD22 LEU 80 1HD2 LEU 80 8.033 7.473 -10.604 643 HD23 LEU 80 2HD2 LEU 80 8.636 6.993 -12.212 644 H ILE 81 H ILE 81 10.851 10.599 -8.480 645 HA ILE 81 HA ILE 81 8.855 12.617 -8.649 646 HB ILE 81 HB ILE 81 10.966 12.468 -6.472 647 HG12 ILE 81 1HG1 ILE 81 10.256 10.286 -6.539 648 HG13 ILE 81 2HG1 ILE 81 9.402 11.017 -5.222 649 HG21 ILE 81 1HG2 ILE 81 9.131 13.368 -5.064 650 HG22 ILE 81 2HG2 ILE 81 9.594 14.457 -6.381 651 HG23 ILE 81 3HG2 ILE 81 8.104 13.490 -6.514 652 HD11 ILE 81 3HD1 ILE 81 8.200 10.347 -7.939 653 HD12 ILE 81 1HD1 ILE 81 7.878 9.547 -6.393 654 HD13 ILE 81 2HD1 ILE 81 7.346 11.219 -6.645 655 H LYS 82 H LYS 82 12.380 12.918 -8.353 656 HA LYS 82 HA LYS 82 12.606 15.739 -8.516 657 HB2 LYS 82 1HB LYS 82 14.478 14.470 -7.774 658 HB3 LYS 82 2HB LYS 82 14.272 13.284 -9.046 659 HG2 LYS 82 1HG LYS 82 16.380 14.441 -9.191 660 HG3 LYS 82 2HG LYS 82 15.413 14.479 -10.655 661 HD2 LYS 82 1HD LYS 82 16.627 16.553 -10.182 662 HD3 LYS 82 2HD LYS 82 14.891 16.766 -10.380 663 HE2 LYS 82 1HE LYS 82 14.635 16.880 -7.893 664 HE3 LYS 82 2HE LYS 82 16.391 16.729 -7.723 665 HZ1 LYS 82 3HZ LYS 82 15.648 19.068 -7.679 666 HZ2 LYS 82 1HZ LYS 82 15.004 18.926 -9.184 667 HZ3 LYS 82 2HZ LYS 82 16.615 18.808 -8.976 668 H HIS 83 H HIS 83 12.694 13.317 -11.199 669 HA HIS 83 HA HIS 83 12.877 15.205 -13.311 670 HB2 HIS 83 1HB HIS 83 13.250 12.894 -13.793 671 HB3 HIS 83 2HB HIS 83 11.729 12.401 -13.068 672 HD1 HIS 83 1HD HIS 83 12.952 14.128 -16.288 673 HD2 HIS 83 2HD HIS 83 9.561 12.365 -14.541 674 HE1 HIS 83 1HE HIS 83 11.233 13.953 -18.148 675 H ILE 84 H ILE 84 9.937 13.924 -11.710 676 HA ILE 84 HA ILE 84 8.080 15.425 -13.278 677 HB ILE 84 HB ILE 84 7.987 14.220 -10.511 678 HG12 ILE 84 1HG1 ILE 84 6.421 13.522 -13.029 679 HG13 ILE 84 2HG1 ILE 84 7.998 12.828 -12.674 680 HG21 ILE 84 1HG2 ILE 84 5.523 14.690 -10.508 681 HG22 ILE 84 2HG2 ILE 84 6.514 16.127 -10.336 682 HG23 ILE 84 3HG2 ILE 84 5.764 15.753 -11.913 683 HD11 ILE 84 3HD1 ILE 84 7.131 11.959 -10.507 684 HD12 ILE 84 1HD1 ILE 84 5.502 12.496 -10.982 685 HD13 ILE 84 2HD1 ILE 84 6.343 11.269 -11.945 686 H ARG 85 H ARG 85 9.566 16.301 -10.124 687 HA ARG 85 HA ARG 85 8.471 18.948 -9.983 688 HB2 ARG 85 1HB ARG 85 11.057 17.757 -8.860 689 HB3 ARG 85 2HB ARG 85 10.437 19.354 -8.428 690 HG2 ARG 85 1HG ARG 85 8.378 18.371 -7.549 691 HG3 ARG 85 2HG ARG 85 8.915 16.747 -7.975 692 HD2 ARG 85 1HD ARG 85 10.796 16.893 -6.461 693 HD3 ARG 85 2HD ARG 85 10.442 18.581 -6.086 694 HE ARG 85 HE ARG 85 9.124 16.196 -5.013 695 HH11 ARG 85 2HH1 ARG 85 8.693 19.653 -5.437 696 HH12 ARG 85 1HH1 ARG 85 7.532 19.751 -4.142 697 HH21 ARG 85 2HH2 ARG 85 7.628 16.399 -3.390 698 HH22 ARG 85 1HH2 ARG 85 6.951 17.957 -3.024 699 H ASP 86 H ASP 86 11.434 17.892 -11.649 700 HA ASP 86 HA ASP 86 12.206 20.652 -12.239 701 HB2 ASP 86 1HB ASP 86 13.339 17.934 -12.949 702 HB3 ASP 86 2HB ASP 86 13.935 19.410 -13.694 703 H ALA 87 H ALA 87 10.687 18.024 -14.146 704 HA ALA 87 HA ALA 87 10.783 19.724 -16.577 705 HB1 ALA 87 1HB ALA 87 11.696 17.415 -16.607 706 HB2 ALA 87 2HB ALA 87 10.066 16.787 -16.260 707 HB3 ALA 87 3HB ALA 87 10.378 17.660 -17.769 708 H HIS 88 H HIS 88 8.349 18.308 -14.401 709 HA HIS 88 HA HIS 88 6.196 19.289 -16.220 710 HB2 HIS 88 1HB HIS 88 6.103 16.958 -14.312 711 HB3 HIS 88 2HB HIS 88 4.868 17.429 -15.469 712 HD1 HIS 88 1HD HIS 88 6.219 17.530 -18.186 713 HD2 HIS 88 2HD HIS 88 7.319 14.858 -15.138 714 HE1 HIS 88 1HE HIS 88 7.370 15.584 -19.351 715 H ASP 89 H ASP 89 6.788 18.725 -13.040 716 HA ASP 89 HA ASP 89 5.979 19.159 -11.004 717 HB2 ASP 89 1HB ASP 89 7.375 21.043 -11.433 718 HB3 ASP 89 2HB ASP 89 6.007 21.970 -12.029 719 HA PRO 90 HA PRO 90 1.493 18.932 -11.424 720 HB2 PRO 90 1HB PRO 90 0.890 17.754 -9.036 721 HB3 PRO 90 2HB PRO 90 1.726 16.888 -10.357 722 HG2 PRO 90 1HG PRO 90 2.988 18.283 -7.967 723 HG3 PRO 90 2HG PRO 90 3.258 16.599 -8.528 724 HD2 PRO 90 1HD PRO 90 4.934 18.610 -9.257 725 HD3 PRO 90 2HD PRO 90 4.475 17.328 -10.420 726 H GLN 91 H GLN 91 -0.464 19.527 -10.096 727 HA GLN 91 HA GLN 91 -1.802 21.129 -9.283 728 HB2 GLN 91 1HB GLN 91 0.367 21.635 -7.226 729 HB3 GLN 91 2HB GLN 91 -1.330 22.118 -7.122 730 HG2 GLN 91 1HG GLN 91 -2.016 19.725 -7.201 731 HG3 GLN 91 2HG GLN 91 -0.316 19.246 -7.219 732 HE21 GLN 91 1HE2 GLN 91 -1.558 18.087 -5.225 733 HE22 GLN 91 2HE2 GLN 91 -1.283 18.921 -3.701 734 H ASP 92 H ASP 92 -0.330 21.881 -11.505 735 HA ASP 92 HA ASP 92 0.549 24.635 -11.388 736 HB2 ASP 92 1HB ASP 92 0.694 24.490 -13.762 737 HB3 ASP 92 2HB ASP 92 1.334 23.011 -13.074
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