REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2iru_1_B DATA FIRST_RESID 10 DATA SEQUENCE QRVTLTNADK VLYPATGTTK SDIFDYYAGV AEVMLGHIAG RPATRKRWPN DATA SEQUENCE GVDQPAFFEK QLALSAPPWL SRATVAHRSG TTTYPIIDSA TGLAWIAQQA DATA SEQUENCE ALEVHVPQWR FVAEPGSGEL NPGPATRLVF DLDPGEGVMM AQLAEVARAV DATA SEQUENCE RDLLADIGLV TFPVTSGSKG LHLYTPLDEP VSSRGATVLA KRVAQRLEQA DATA SEQUENCE MPALVTSTMT KSLRAGKVFV DWSQNSGSKT TIAPYSLRGR THPTVAAPRT DATA SEQUENCE WAELDDPALR QLSYDEVLTR IARDGDLLER LD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 10 Q C 0.000 175.518 176.000 -0.803 0.000 1.003 10 Q CA 0.000 54.980 55.803 -1.372 0.000 1.022 10 Q CB 0.000 27.700 28.738 -1.729 0.000 1.108 11 R N 0.735 120.951 120.500 -0.473 0.000 2.744 11 R HA 0.833 5.173 4.340 0.001 0.000 0.279 11 R C -1.078 175.379 176.300 0.261 0.000 0.977 11 R CA -0.861 55.209 56.100 -0.050 0.000 0.906 11 R CB 2.491 32.798 30.300 0.012 0.000 1.197 11 R HN 0.264 8.534 8.270 -0.000 0.000 0.463 12 V N 1.240 121.271 119.914 0.196 0.000 2.623 12 V HA 0.297 4.417 4.120 0.001 0.000 0.304 12 V C -0.434 175.745 176.094 0.141 0.000 1.054 12 V CA -0.901 61.560 62.300 0.270 0.000 0.882 12 V CB 2.283 34.298 31.823 0.320 0.000 1.002 12 V HN 0.785 8.975 8.190 -0.000 0.000 0.424 13 T N 6.610 121.250 114.554 0.144 0.000 2.727 13 T HA 0.470 4.820 4.350 0.001 0.000 0.295 13 T C -0.061 174.690 174.700 0.084 0.000 0.915 13 T CA 0.035 62.189 62.100 0.089 0.000 1.066 13 T CB -0.095 68.828 68.868 0.091 0.000 0.891 13 T HN 0.340 8.580 8.240 -0.000 0.000 0.516 14 L N 4.425 125.656 121.223 0.015 0.000 2.312 14 L HA 0.615 4.955 4.340 0.001 0.000 0.281 14 L C 0.942 177.865 176.870 0.089 0.000 1.070 14 L CA -0.724 54.115 54.840 -0.002 0.000 0.805 14 L CB 1.115 42.958 42.059 -0.359 0.000 1.174 14 L HN 0.688 8.918 8.230 -0.000 0.000 0.434 15 T N -1.593 113.085 114.554 0.206 0.000 2.883 15 T HA 0.382 4.732 4.350 0.001 0.000 0.296 15 T C 0.058 174.883 174.700 0.207 0.000 1.117 15 T CA -0.780 61.420 62.100 0.167 0.000 1.006 15 T CB 1.705 70.643 68.868 0.117 0.000 1.191 15 T HN 0.568 8.808 8.240 -0.000 0.000 0.508 16 N N -0.490 118.292 118.700 0.137 0.000 2.735 16 N HA -0.191 4.549 4.740 0.001 0.000 0.248 16 N C 1.157 176.732 175.510 0.109 0.000 1.083 16 N CA 0.863 53.972 53.050 0.098 0.000 0.703 16 N CB -1.405 37.120 38.487 0.063 0.000 1.005 16 N HN 1.017 9.397 8.380 -0.000 0.000 0.550 17 A N -0.345 122.585 122.820 0.182 0.000 1.978 17 A HA -0.172 4.148 4.320 0.001 0.000 0.220 17 A C 1.708 179.339 177.584 0.078 0.000 1.170 17 A CA 1.826 53.984 52.037 0.203 0.000 0.636 17 A CB -0.068 19.089 19.000 0.261 0.000 0.810 17 A HN 0.304 8.454 8.150 -0.000 0.000 0.448 18 D N -0.616 119.821 120.400 0.061 0.000 2.347 18 D HA 0.025 4.665 4.640 0.001 0.000 0.215 18 D C 0.879 177.185 176.300 0.010 0.000 0.976 18 D CA 0.506 54.526 54.000 0.034 0.000 0.884 18 D CB -0.135 40.685 40.800 0.034 0.000 0.915 18 D HN 0.503 8.873 8.370 -0.000 0.000 0.526 19 K N 1.022 121.422 120.400 0.000 0.000 2.447 19 K HA 0.090 4.410 4.320 0.001 0.000 0.281 19 K C -0.569 176.011 176.600 -0.033 0.000 1.031 19 K CA -0.137 56.140 56.287 -0.017 0.000 1.019 19 K CB 0.646 33.132 32.500 -0.023 0.000 0.918 19 K HN -0.244 8.006 8.250 -0.000 0.000 0.476 20 V N 7.438 127.338 119.914 -0.024 0.000 2.455 20 V HA 0.038 4.158 4.120 0.001 0.000 0.273 20 V C 1.120 177.186 176.094 -0.047 0.000 1.045 20 V CA -0.063 62.223 62.300 -0.024 0.000 0.976 20 V CB 0.988 32.805 31.823 -0.010 0.000 0.993 20 V HN 0.834 9.024 8.190 -0.000 0.000 0.475 21 L N 4.334 125.522 121.223 -0.059 0.000 2.556 21 L HA 0.270 4.610 4.340 0.001 0.000 0.226 21 L C -0.186 176.479 176.870 -0.341 0.000 1.089 21 L CA 0.506 55.238 54.840 -0.180 0.000 0.864 21 L CB 0.222 42.151 42.059 -0.217 0.000 1.067 21 L HN 0.581 8.811 8.230 -0.000 0.000 0.477 22 Y N 0.186 120.401 120.300 -0.141 0.000 2.805 22 Y HA 0.266 4.817 4.550 0.000 0.000 0.339 22 Y C -1.602 174.237 175.900 -0.102 0.000 1.012 22 Y CA -1.996 56.021 58.100 -0.138 0.000 1.262 22 Y CB 0.679 39.038 38.460 -0.168 0.000 1.100 22 Y HN -0.107 8.173 8.280 -0.000 0.000 0.559 23 P HA -0.251 4.169 4.420 -0.000 0.000 0.218 23 P C 1.386 178.693 177.300 0.012 0.000 1.148 23 P CA 1.782 64.889 63.100 0.011 0.000 0.822 23 P CB 0.360 32.060 31.700 -0.001 0.000 0.784 24 A N 0.092 122.928 122.820 0.028 0.000 1.972 24 A HA -0.135 4.186 4.320 0.001 0.000 0.219 24 A C 2.067 179.599 177.584 -0.088 0.000 1.169 24 A CA 2.584 54.625 52.037 0.008 0.000 0.635 24 A CB -1.548 17.508 19.000 0.094 0.000 0.810 24 A HN 0.414 8.564 8.150 -0.000 0.000 0.446 25 T N -6.113 108.369 114.554 -0.120 0.000 3.003 25 T HA 0.444 4.794 4.350 0.001 0.000 0.261 25 T C 1.274 175.922 174.700 -0.087 0.000 1.003 25 T CA 1.014 63.004 62.100 -0.184 0.000 0.917 25 T CB 0.398 69.071 68.868 -0.325 0.000 1.084 25 T HN 1.708 9.948 8.240 -0.000 0.000 0.522 26 G N 1.773 110.553 108.800 -0.034 0.000 2.143 26 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 26 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 26 G C 0.113 175.008 174.900 -0.008 0.000 0.991 26 G CA 0.167 45.258 45.100 -0.015 0.000 0.689 26 G HN 0.696 8.986 8.290 -0.000 0.000 0.522 27 T N 2.099 116.650 114.554 -0.005 0.000 2.817 27 T HA 0.468 4.819 4.350 0.001 0.000 0.295 27 T C 1.032 175.730 174.700 -0.002 0.000 0.958 27 T CA 0.840 62.918 62.100 -0.037 0.000 1.157 27 T CB 0.992 69.744 68.868 -0.193 0.000 0.898 27 T HN 0.842 9.082 8.240 -0.000 0.000 0.536 28 T N 0.591 115.114 114.554 -0.052 0.000 2.936 28 T HA 0.423 4.773 4.350 0.001 0.000 0.282 28 T C 1.330 175.953 174.700 -0.129 0.000 1.003 28 T CA -1.136 60.929 62.100 -0.058 0.000 1.005 28 T CB 1.543 70.392 68.868 -0.033 0.000 1.097 28 T HN 0.448 8.688 8.240 -0.000 0.000 0.532 29 K N 0.335 120.635 120.400 -0.166 0.000 2.152 29 K HA -0.158 4.162 4.320 0.001 0.000 0.206 29 K C 2.432 178.782 176.600 -0.417 0.000 1.048 29 K CA 1.752 57.821 56.287 -0.363 0.000 0.933 29 K CB -0.474 31.804 32.500 -0.369 0.000 0.721 29 K HN 0.716 8.966 8.250 -0.000 0.000 0.447 30 S N 0.595 116.238 115.700 -0.095 0.000 2.383 30 S HA -0.164 4.306 4.470 0.001 0.000 0.227 30 S C 1.490 176.133 174.600 0.071 0.000 1.026 30 S CA 1.358 59.627 58.200 0.116 0.000 0.981 30 S CB -0.344 62.944 63.200 0.146 0.000 0.818 30 S HN 0.273 8.583 8.310 -0.000 0.000 0.472 31 D N 1.884 122.267 120.400 -0.029 0.000 2.123 31 D HA -0.032 4.609 4.640 0.001 0.000 0.196 31 D C 1.898 178.110 176.300 -0.147 0.000 0.992 31 D CA 1.291 55.248 54.000 -0.071 0.000 0.833 31 D CB -0.350 40.343 40.800 -0.180 0.000 0.954 31 D HN 0.484 8.854 8.370 -0.000 0.000 0.455 32 I N 0.126 120.565 120.570 -0.218 0.000 2.353 32 I HA -0.218 3.952 4.170 0.001 0.000 0.248 32 I C 2.078 178.242 176.117 0.079 0.000 1.119 32 I CA 0.409 61.603 61.300 -0.176 0.000 1.417 32 I CB -0.140 37.733 38.000 -0.211 0.000 1.078 32 I HN -0.145 8.065 8.210 -0.000 0.000 0.421 33 F N 1.279 121.288 119.950 0.099 0.000 2.095 33 F HA -0.289 4.238 4.527 0.000 0.000 0.298 33 F C 2.346 178.211 175.800 0.109 0.000 1.104 33 F CA 1.890 59.964 58.000 0.122 0.000 1.232 33 F CB -1.110 37.939 39.000 0.083 0.000 0.987 33 F HN 0.192 8.492 8.300 -0.000 0.000 0.475 34 D N -1.544 119.024 120.400 0.279 0.000 2.117 34 D HA -0.265 4.376 4.640 0.001 0.000 0.198 34 D C 2.242 178.635 176.300 0.155 0.000 0.982 34 D CA 0.984 55.095 54.000 0.185 0.000 0.828 34 D CB -0.353 40.542 40.800 0.159 0.000 0.967 34 D HN 0.250 8.620 8.370 -0.000 0.000 0.464 35 Y N -0.218 120.093 120.300 0.018 0.000 2.070 35 Y HA -0.283 4.268 4.550 0.000 0.000 0.280 35 Y C 1.665 177.547 175.900 -0.029 0.000 1.148 35 Y CA 1.788 59.856 58.100 -0.054 0.000 1.125 35 Y CB -0.640 37.656 38.460 -0.273 0.000 0.975 35 Y HN 0.074 8.354 8.280 -0.000 0.000 0.492 36 Y N -0.263 120.046 120.300 0.015 0.000 2.373 36 Y HA -0.034 4.516 4.550 0.001 0.000 0.293 36 Y C 2.558 178.414 175.900 -0.073 0.000 1.129 36 Y CA 0.652 58.711 58.100 -0.069 0.000 1.226 36 Y CB -1.112 37.419 38.460 0.118 0.000 1.000 36 Y HN 0.274 8.554 8.280 -0.000 0.000 0.549 37 A N -0.170 122.733 122.820 0.139 0.000 1.877 37 A HA -0.114 4.207 4.320 0.001 0.000 0.216 37 A C 2.619 180.186 177.584 -0.028 0.000 1.186 37 A CA 1.836 53.908 52.037 0.059 0.000 0.620 37 A CB -1.364 17.679 19.000 0.071 0.000 0.822 37 A HN 0.435 8.585 8.150 -0.000 0.000 0.443 38 G N -0.598 108.155 108.800 -0.079 0.000 2.403 38 G HA2 -0.017 3.943 3.960 0.001 0.000 0.216 38 G HA3 -0.017 3.943 3.960 0.001 0.000 0.216 38 G C 1.433 176.208 174.900 -0.210 0.000 1.154 38 G CA 1.527 46.554 45.100 -0.120 0.000 0.784 38 G HN 1.076 9.366 8.290 -0.000 0.000 0.538 39 V N -2.075 117.630 119.914 -0.348 0.000 3.608 39 V HA 0.529 4.649 4.120 0.001 0.000 0.269 39 V C 2.628 178.552 176.094 -0.285 0.000 1.245 39 V CA 0.884 62.937 62.300 -0.412 0.000 1.138 39 V CB -0.141 31.307 31.823 -0.625 0.000 0.841 39 V HN 0.337 8.527 8.190 -0.000 0.000 0.451 40 A N 1.172 123.901 122.820 -0.151 0.000 1.884 40 A HA -0.336 3.984 4.320 0.001 0.000 0.219 40 A C 2.234 179.743 177.584 -0.125 0.000 1.197 40 A CA 2.601 54.586 52.037 -0.085 0.000 0.637 40 A CB -0.830 18.149 19.000 -0.035 0.000 0.827 40 A HN 0.720 8.870 8.150 -0.000 0.000 0.450 41 E N -0.321 119.798 120.200 -0.135 0.000 2.070 41 E HA -0.198 4.153 4.350 0.001 0.000 0.197 41 E C 1.968 178.464 176.600 -0.173 0.000 1.004 41 E CA 2.396 58.718 56.400 -0.130 0.000 0.805 41 E CB -0.238 29.396 29.700 -0.110 0.000 0.744 41 E HN 0.630 8.990 8.360 -0.000 0.000 0.451 42 V N -1.336 118.426 119.914 -0.252 0.000 2.788 42 V HA -0.063 4.057 4.120 0.001 0.000 0.251 42 V C 2.281 178.191 176.094 -0.307 0.000 1.068 42 V CA 1.550 63.671 62.300 -0.299 0.000 1.090 42 V CB -0.277 31.303 31.823 -0.405 0.000 0.710 42 V HN 0.276 8.466 8.190 -0.000 0.000 0.467 43 M N -0.164 119.244 119.600 -0.321 0.000 2.236 43 M HA 0.073 4.554 4.480 0.001 0.000 0.266 43 M C 2.030 178.309 176.300 -0.034 0.000 1.070 43 M CA 1.656 56.913 55.300 -0.071 0.000 1.137 43 M CB -0.119 32.478 32.600 -0.005 0.000 1.378 43 M HN 0.368 8.658 8.290 -0.000 0.000 0.426 44 L N -0.204 120.958 121.223 -0.100 0.000 2.079 44 L HA -0.141 4.199 4.340 0.001 0.000 0.210 44 L C 2.544 179.328 176.870 -0.143 0.000 1.081 44 L CA 1.338 56.130 54.840 -0.081 0.000 0.752 44 L CB -1.276 40.744 42.059 -0.065 0.000 0.896 44 L HN 0.487 8.717 8.230 -0.000 0.000 0.433 45 G N -1.136 107.487 108.800 -0.294 0.000 2.432 45 G HA2 -0.226 3.735 3.960 0.001 0.000 0.219 45 G HA3 -0.226 3.735 3.960 0.001 0.000 0.219 45 G C 1.274 175.932 174.900 -0.403 0.000 1.135 45 G CA 0.522 45.390 45.100 -0.386 0.000 0.767 45 G HN 0.461 8.751 8.290 -0.000 0.000 0.550 46 H N -0.099 118.949 119.070 -0.037 0.000 2.548 46 H HA 0.159 4.716 4.556 0.001 0.000 0.265 46 H C 2.227 177.517 175.328 -0.063 0.000 0.969 46 H CA 0.902 56.908 56.048 -0.070 0.000 1.155 46 H CB 0.230 29.931 29.762 -0.102 0.000 1.394 46 H HN 0.649 8.929 8.280 -0.000 0.000 0.570 47 I N -2.485 118.097 120.570 0.020 0.000 4.288 47 I HA 0.467 4.638 4.170 0.001 0.000 0.331 47 I C 0.878 176.997 176.117 0.003 0.000 1.322 47 I CA -0.502 60.803 61.300 0.009 0.000 1.149 47 I CB 0.283 38.303 38.000 0.034 0.000 1.112 47 I HN -0.136 8.074 8.210 -0.000 0.000 0.403 48 A N 1.890 124.706 122.820 -0.006 0.000 2.540 48 A HA 0.403 4.723 4.320 0.001 0.000 0.239 48 A C 1.571 179.179 177.584 0.039 0.000 1.061 48 A CA 0.890 52.936 52.037 0.014 0.000 0.758 48 A CB -0.646 18.349 19.000 -0.008 0.000 0.991 48 A HN 1.213 9.363 8.150 -0.000 0.000 0.502 49 G N 1.731 110.585 108.800 0.089 0.000 2.184 49 G HA2 -0.252 3.709 3.960 0.001 0.000 0.264 49 G HA3 -0.252 3.709 3.960 0.001 0.000 0.264 49 G C 0.321 175.341 174.900 0.199 0.000 0.975 49 G CA 0.777 45.976 45.100 0.165 0.000 0.642 49 G HN 0.975 9.265 8.290 -0.000 0.000 0.536 50 R N 0.813 121.356 120.500 0.072 0.000 2.589 50 R HA 0.513 4.853 4.340 0.001 0.000 0.293 50 R C -2.626 173.650 176.300 -0.040 0.000 0.963 50 R CA -2.029 53.984 56.100 -0.144 0.000 0.905 50 R CB 2.081 32.239 30.300 -0.237 0.000 1.144 50 R HN 0.086 8.356 8.270 -0.000 0.000 0.459 51 P HA 0.069 4.489 4.420 -0.000 0.000 0.276 51 P C -1.087 176.131 177.300 -0.136 0.000 1.243 51 P CA -0.168 62.892 63.100 -0.067 0.000 0.768 51 P CB 1.150 32.535 31.700 -0.525 0.000 0.856 52 A N 3.724 126.607 122.820 0.106 0.000 2.252 52 A HA 0.459 4.779 4.320 0.001 0.000 0.309 52 A C 0.348 178.106 177.584 0.290 0.000 1.285 52 A CA -0.241 51.890 52.037 0.157 0.000 0.900 52 A CB -0.116 18.994 19.000 0.183 0.000 1.157 52 A HN 0.444 8.594 8.150 -0.000 0.000 0.536 53 T N 3.162 117.872 114.554 0.259 0.000 2.806 53 T HA 0.394 4.745 4.350 0.001 0.000 0.290 53 T C 0.305 175.186 174.700 0.302 0.000 0.966 53 T CA -0.004 62.289 62.100 0.322 0.000 1.060 53 T CB 0.407 69.427 68.868 0.253 0.000 0.927 53 T HN 0.662 8.902 8.240 -0.000 0.000 0.485 54 R N 2.142 122.788 120.500 0.244 0.000 2.474 54 R HA 0.497 4.837 4.340 0.001 0.000 0.295 54 R C -0.129 176.198 176.300 0.046 0.000 0.980 54 R CA -0.682 55.500 56.100 0.136 0.000 0.934 54 R CB 1.189 31.498 30.300 0.015 0.000 1.101 54 R HN 0.405 8.675 8.270 -0.000 0.000 0.469 55 K N 2.718 123.088 120.400 -0.049 0.000 2.358 55 K HA 0.353 4.674 4.320 0.001 0.000 0.260 55 K C -0.827 175.511 176.600 -0.437 0.000 0.956 55 K CA -0.623 55.375 56.287 -0.481 0.000 0.834 55 K CB 1.019 33.096 32.500 -0.706 0.000 1.102 55 K HN 0.455 8.705 8.250 -0.000 0.000 0.431 56 R N 3.154 123.159 120.500 -0.825 0.000 2.514 56 R HA 0.341 4.681 4.340 0.001 0.000 0.301 56 R C -0.764 175.041 176.300 -0.825 0.000 0.962 56 R CA -0.646 55.035 56.100 -0.698 0.000 0.882 56 R CB 1.438 31.192 30.300 -0.911 0.000 1.143 56 R HN 0.569 8.839 8.270 -0.000 0.000 0.452 57 W N 4.203 125.259 121.300 -0.407 0.000 2.148 57 W HA 0.224 4.884 4.660 0.001 0.000 0.288 57 W C -2.047 174.330 176.519 -0.237 0.000 0.920 57 W CA -1.814 55.347 57.345 -0.307 0.000 1.904 57 W CB 1.471 30.756 29.460 -0.292 0.000 2.083 57 W HN 0.473 8.653 8.180 -0.000 0.000 0.398 58 P HA -0.131 4.289 4.420 -0.000 0.000 0.222 58 P C 0.719 178.024 177.300 0.008 0.000 1.147 58 P CA 1.498 64.589 63.100 -0.016 0.000 0.790 58 P CB 0.439 32.162 31.700 0.038 0.000 0.780 59 N N -0.352 118.364 118.700 0.027 0.000 2.238 59 N HA 0.231 4.972 4.740 0.001 0.000 0.222 59 N C 0.879 176.394 175.510 0.009 0.000 1.133 59 N CA 0.677 53.739 53.050 0.020 0.000 0.854 59 N CB 0.813 39.318 38.487 0.031 0.000 1.041 59 N HN 0.138 8.518 8.380 -0.000 0.000 0.510 60 G N 0.277 109.077 108.800 -0.001 0.000 2.746 60 G HA2 -0.253 3.707 3.960 0.001 0.000 0.685 60 G HA3 -0.253 3.707 3.960 0.001 0.000 0.685 60 G C 0.799 175.662 174.900 -0.063 0.000 1.350 60 G CA -0.311 44.731 45.100 -0.096 0.000 0.837 60 G HN 0.191 8.481 8.290 -0.000 0.000 0.564 61 V N -2.224 117.488 119.914 -0.337 0.000 2.913 61 V HA 0.071 4.192 4.120 0.001 0.000 0.260 61 V C 1.904 177.944 176.094 -0.090 0.000 1.098 61 V CA 2.478 64.517 62.300 -0.434 0.000 1.121 61 V CB -0.316 31.038 31.823 -0.782 0.000 0.714 61 V HN 0.991 9.181 8.190 -0.000 0.000 0.487 62 D N -1.332 119.042 120.400 -0.043 0.000 2.328 62 D HA 0.070 4.710 4.640 0.001 0.000 0.221 62 D C 0.694 177.024 176.300 0.050 0.000 1.072 62 D CA 0.093 54.100 54.000 0.012 0.000 0.850 62 D CB 0.086 40.885 40.800 -0.003 0.000 0.922 62 D HN 0.513 8.883 8.370 -0.000 0.000 0.516 63 Q N 0.503 120.358 119.800 0.091 0.000 2.399 63 Q HA 0.449 4.789 4.340 0.001 0.000 0.276 63 Q C -2.641 173.426 176.000 0.113 0.000 1.098 63 Q CA -1.969 53.884 55.803 0.084 0.000 0.827 63 Q CB 1.902 30.674 28.738 0.057 0.000 1.386 63 Q HN -0.019 8.251 8.270 -0.000 0.000 0.443 64 P HA 0.099 4.519 4.420 -0.000 0.000 0.267 64 P C -1.130 176.071 177.300 -0.165 0.000 1.200 64 P CA 0.254 63.343 63.100 -0.018 0.000 0.772 64 P CB 0.541 32.238 31.700 -0.006 0.000 0.855 65 A N 2.294 124.857 122.820 -0.429 0.000 2.284 65 A HA 0.904 5.225 4.320 0.001 0.000 0.317 65 A C -0.818 176.493 177.584 -0.454 0.000 1.120 65 A CA -0.359 51.135 52.037 -0.905 0.000 0.900 65 A CB 0.539 18.370 19.000 -1.948 0.000 1.319 65 A HN 0.545 8.695 8.150 -0.000 0.000 0.494 66 F N -3.219 116.354 119.950 -0.628 0.000 2.641 66 F HA 0.728 5.255 4.527 0.000 0.000 0.308 66 F C -1.389 174.156 175.800 -0.425 0.000 1.105 66 F CA -1.451 56.312 58.000 -0.395 0.000 0.964 66 F CB 0.636 39.508 39.000 -0.214 0.000 1.294 66 F HN 0.368 8.668 8.300 -0.000 0.000 0.442 67 F N 1.562 121.484 119.950 -0.046 0.000 2.418 67 F HA 0.458 4.986 4.527 0.001 0.000 0.341 67 F C 0.302 176.160 175.800 0.096 0.000 1.120 67 F CA 0.049 58.006 58.000 -0.072 0.000 1.232 67 F CB 1.218 40.171 39.000 -0.079 0.000 1.175 67 F HN 0.666 8.966 8.300 -0.000 0.000 0.569 68 E N 2.569 122.924 120.200 0.258 0.000 2.246 68 E HA 0.317 4.667 4.350 0.001 0.000 0.266 68 E C -0.449 176.259 176.600 0.180 0.000 0.880 68 E CA -0.443 56.088 56.400 0.219 0.000 0.762 68 E CB 1.311 31.139 29.700 0.212 0.000 1.180 68 E HN 0.624 8.984 8.360 -0.000 0.000 0.416 69 K N 2.148 122.605 120.400 0.094 0.000 2.324 69 K HA 0.077 4.398 4.320 0.001 0.000 0.222 69 K C 0.143 176.626 176.600 -0.194 0.000 1.107 69 K CA -0.259 56.032 56.287 0.007 0.000 0.873 69 K CB 0.060 32.528 32.500 -0.052 0.000 1.270 69 K HN 0.341 8.591 8.250 -0.000 0.000 0.456 70 Q N 2.253 121.926 119.800 -0.212 0.000 2.283 70 Q HA -0.045 4.295 4.340 0.001 0.000 0.301 70 Q C -0.870 175.097 176.000 -0.056 0.000 1.063 70 Q CA 0.121 55.813 55.803 -0.186 0.000 0.952 70 Q CB 0.374 29.052 28.738 -0.101 0.000 1.166 70 Q HN 0.101 8.371 8.270 -0.000 0.000 0.381 71 L N 4.647 125.842 121.223 -0.047 0.000 2.385 71 L HA 0.416 4.756 4.340 0.001 0.000 0.281 71 L C -0.456 176.416 176.870 0.004 0.000 1.106 71 L CA 0.403 55.254 54.840 0.018 0.000 0.856 71 L CB -0.150 41.898 42.059 -0.019 0.000 1.186 71 L HN 0.769 8.999 8.230 -0.000 0.000 0.453 72 A N 5.347 128.196 122.820 0.049 0.000 2.531 72 A HA 0.105 4.426 4.320 0.001 0.000 0.236 72 A C 1.266 178.846 177.584 -0.008 0.000 1.062 72 A CA -0.062 51.992 52.037 0.030 0.000 0.760 72 A CB 0.034 19.073 19.000 0.066 0.000 0.995 72 A HN 0.951 9.101 8.150 -0.000 0.000 0.501 73 L N 2.233 123.444 121.223 -0.021 0.000 2.353 73 L HA -0.170 4.170 4.340 0.001 0.000 0.220 73 L C 2.649 179.493 176.870 -0.044 0.000 1.133 73 L CA 1.537 56.352 54.840 -0.042 0.000 0.798 73 L CB -0.240 41.799 42.059 -0.034 0.000 0.922 73 L HN 0.997 9.227 8.230 -0.000 0.000 0.445 74 S N -0.407 115.285 115.700 -0.012 0.000 2.474 74 S HA 0.028 4.498 4.470 0.001 0.000 0.235 74 S C 1.155 175.749 174.600 -0.010 0.000 0.997 74 S CA 0.262 58.464 58.200 0.004 0.000 0.949 74 S CB -0.404 62.820 63.200 0.040 0.000 0.766 74 S HN 0.278 8.588 8.310 -0.000 0.000 0.517 75 A N 2.745 125.536 122.820 -0.048 0.000 2.406 75 A HA 0.520 4.840 4.320 0.001 0.000 0.243 75 A C -2.336 175.006 177.584 -0.403 0.000 1.082 75 A CA -1.447 50.483 52.037 -0.177 0.000 0.786 75 A CB -0.612 18.214 19.000 -0.289 0.000 1.029 75 A HN 0.281 8.431 8.150 -0.000 0.000 0.495 76 P HA 0.091 4.511 4.420 -0.000 0.000 0.261 76 P C -1.969 174.834 177.300 -0.828 0.000 1.183 76 P CA -0.654 61.943 63.100 -0.838 0.000 0.761 76 P CB 0.070 30.845 31.700 -1.542 0.000 0.785 77 P HA -0.142 4.278 4.420 -0.000 0.000 0.221 77 P C 1.128 178.292 177.300 -0.226 0.000 1.145 77 P CA 1.228 64.170 63.100 -0.264 0.000 0.795 77 P CB -0.388 31.256 31.700 -0.094 0.000 0.775 78 W N -1.188 120.037 121.300 -0.125 0.000 2.699 78 W HA 0.109 4.769 4.660 0.000 0.000 0.249 78 W C -0.009 176.429 176.519 -0.136 0.000 1.280 78 W CA -0.315 56.963 57.345 -0.112 0.000 1.345 78 W CB -1.382 28.023 29.460 -0.092 0.000 1.128 78 W HN -0.130 8.050 8.180 -0.000 0.000 0.642 79 L N 3.014 123.933 121.223 -0.507 0.000 2.455 79 L HA 0.027 4.367 4.340 0.001 0.000 0.272 79 L C 1.087 177.853 176.870 -0.174 0.000 1.174 79 L CA 0.172 54.773 54.840 -0.398 0.000 0.869 79 L CB 0.533 42.132 42.059 -0.766 0.000 1.130 79 L HN -0.216 8.014 8.230 -0.000 0.000 0.474 80 S N 4.146 119.814 115.700 -0.054 0.000 2.568 80 S HA 0.327 4.797 4.470 0.001 0.000 0.282 80 S C -0.060 174.488 174.600 -0.085 0.000 1.338 80 S CA -0.386 57.786 58.200 -0.046 0.000 1.045 80 S CB 0.502 63.702 63.200 0.000 0.000 0.873 80 S HN 0.648 8.958 8.310 -0.000 0.000 0.516 81 R N -0.273 120.164 120.500 -0.105 0.000 2.710 81 R HA 0.826 5.167 4.340 0.001 0.000 0.270 81 R C -1.700 174.473 176.300 -0.212 0.000 1.021 81 R CA -1.161 54.871 56.100 -0.114 0.000 0.889 81 R CB 1.263 31.505 30.300 -0.097 0.000 1.243 81 R HN 0.644 8.914 8.270 -0.000 0.000 0.464 82 A N 0.694 123.368 122.820 -0.243 0.000 2.612 82 A HA 0.660 4.980 4.320 0.001 0.000 0.293 82 A C -1.268 176.269 177.584 -0.080 0.000 1.075 82 A CA -0.745 51.038 52.037 -0.423 0.000 0.680 82 A CB 2.154 20.305 19.000 -1.414 0.000 1.279 82 A HN 0.660 8.810 8.150 -0.000 0.000 0.411 83 T N 0.707 115.276 114.554 0.025 0.000 2.859 83 T HA 0.611 4.961 4.350 0.001 0.000 0.281 83 T C -0.633 174.292 174.700 0.375 0.000 1.005 83 T CA -0.428 61.794 62.100 0.205 0.000 1.025 83 T CB 1.435 70.360 68.868 0.094 0.000 0.977 83 T HN 0.689 8.929 8.240 -0.000 0.000 0.458 84 V N 2.100 122.275 119.914 0.435 0.000 2.487 84 V HA 0.704 4.824 4.120 0.001 0.000 0.298 84 V C 0.308 176.562 176.094 0.266 0.000 1.028 84 V CA -1.106 61.434 62.300 0.401 0.000 0.860 84 V CB 1.467 33.612 31.823 0.537 0.000 0.991 84 V HN 1.133 9.323 8.190 -0.000 0.000 0.427 85 A N 4.972 127.881 122.820 0.149 0.000 2.340 85 A HA 0.762 5.082 4.320 0.001 0.000 0.268 85 A C -0.033 177.619 177.584 0.113 0.000 1.100 85 A CA -0.209 51.856 52.037 0.046 0.000 0.803 85 A CB 0.250 19.252 19.000 0.004 0.000 1.043 85 A HN 1.105 9.255 8.150 -0.000 0.000 0.488 86 H N -0.326 118.778 119.070 0.057 0.000 2.943 86 H HA 0.484 5.040 4.556 0.001 0.000 0.323 86 H C 0.420 175.765 175.328 0.028 0.000 1.296 86 H CA -0.838 55.237 56.048 0.044 0.000 1.155 86 H CB 0.984 30.780 29.762 0.057 0.000 1.882 86 H HN 0.595 8.875 8.280 -0.000 0.000 0.553 87 R N 0.268 120.869 120.500 0.169 0.000 2.152 87 R HA -0.131 4.209 4.340 0.001 0.000 0.232 87 R C 2.165 178.497 176.300 0.055 0.000 1.117 87 R CA 1.718 57.866 56.100 0.080 0.000 0.981 87 R CB -0.074 30.273 30.300 0.078 0.000 0.870 87 R HN 0.566 8.836 8.270 -0.000 0.000 0.451 88 S N -1.763 114.014 115.700 0.128 0.000 2.326 88 S HA 0.094 4.564 4.470 0.001 0.000 0.211 88 S C 1.103 175.646 174.600 -0.095 0.000 1.031 88 S CA 1.156 59.395 58.200 0.066 0.000 0.985 88 S CB -0.093 63.226 63.200 0.199 0.000 0.961 88 S HN 0.528 8.838 8.310 -0.000 0.000 0.436 89 G N -0.672 107.912 108.800 -0.360 0.000 3.551 89 G HA2 0.467 4.428 3.960 0.001 0.000 0.174 89 G HA3 0.467 4.428 3.960 0.001 0.000 0.174 89 G C -0.593 173.963 174.900 -0.574 0.000 1.280 89 G CA 0.494 45.384 45.100 -0.350 0.000 1.236 89 G HN 0.939 9.229 8.290 -0.000 0.000 0.731 90 T N -1.913 112.395 114.554 -0.409 0.000 2.894 90 T HA 0.647 4.998 4.350 0.001 0.000 0.309 90 T C -1.341 173.381 174.700 0.037 0.000 1.208 90 T CA -0.462 61.522 62.100 -0.194 0.000 1.016 90 T CB 1.894 70.727 68.868 -0.059 0.000 1.192 90 T HN 0.481 8.721 8.240 -0.000 0.000 0.491 91 T N 2.022 116.679 114.554 0.171 0.000 2.824 91 T HA 0.599 4.950 4.350 0.001 0.000 0.282 91 T C -0.466 174.257 174.700 0.038 0.000 0.993 91 T CA -0.621 61.516 62.100 0.062 0.000 0.967 91 T CB 1.587 70.434 68.868 -0.034 0.000 0.960 91 T HN 0.775 9.015 8.240 -0.000 0.000 0.441 92 T N 3.649 118.167 114.554 -0.060 0.000 2.744 92 T HA 0.482 4.832 4.350 0.001 0.000 0.291 92 T C -0.845 173.814 174.700 -0.070 0.000 0.957 92 T CA -0.289 61.813 62.100 0.004 0.000 1.002 92 T CB 0.098 68.956 68.868 -0.016 0.000 0.919 92 T HN 0.389 8.629 8.240 -0.000 0.000 0.468 93 Y N 3.806 124.170 120.300 0.107 0.000 2.457 93 Y HA 0.442 4.992 4.550 0.000 0.000 0.333 93 Y C -1.975 173.962 175.900 0.061 0.000 1.119 93 Y CA -2.667 55.507 58.100 0.124 0.000 1.143 93 Y CB 1.402 39.990 38.460 0.213 0.000 1.230 93 Y HN 0.428 8.708 8.280 -0.000 0.000 0.469 94 P HA 0.263 4.683 4.420 -0.000 0.000 0.274 94 P C -0.829 176.566 177.300 0.157 0.000 1.237 94 P CA 0.017 63.176 63.100 0.098 0.000 0.793 94 P CB 1.346 33.107 31.700 0.102 0.000 0.977 95 I N 2.258 122.877 120.570 0.082 0.000 2.418 95 I HA 0.290 4.460 4.170 0.001 0.000 0.287 95 I C 0.050 176.219 176.117 0.087 0.000 1.008 95 I CA -0.900 60.464 61.300 0.107 0.000 1.104 95 I CB 1.434 39.489 38.000 0.091 0.000 1.264 95 I HN 0.054 8.264 8.210 -0.000 0.000 0.438 96 I N 6.255 126.889 120.570 0.106 0.000 2.312 96 I HA 0.197 4.368 4.170 0.001 0.000 0.291 96 I C 0.009 176.176 176.117 0.084 0.000 1.031 96 I CA -0.053 61.315 61.300 0.114 0.000 1.293 96 I CB 0.817 38.895 38.000 0.130 0.000 1.403 96 I HN 0.661 8.871 8.210 -0.000 0.000 0.484 97 D N 2.320 122.772 120.400 0.088 0.000 2.615 97 D HA 0.091 4.732 4.640 0.001 0.000 0.274 97 D C -0.031 176.296 176.300 0.044 0.000 1.512 97 D CA -0.248 53.785 54.000 0.054 0.000 0.803 97 D CB 0.197 41.026 40.800 0.050 0.000 1.182 97 D HN 0.372 8.742 8.370 -0.000 0.000 0.473 98 S N -1.651 114.088 115.700 0.066 0.000 2.570 98 S HA 0.684 5.154 4.470 0.001 0.000 0.270 98 S C 1.020 175.646 174.600 0.043 0.000 1.149 98 S CA -0.419 57.801 58.200 0.034 0.000 0.837 98 S CB 1.549 64.760 63.200 0.018 0.000 1.124 98 S HN 0.133 8.443 8.310 -0.000 0.000 0.465 99 A N 1.557 124.379 122.820 0.005 0.000 1.940 99 A HA 0.016 4.336 4.320 0.001 0.000 0.219 99 A C 1.993 179.608 177.584 0.052 0.000 1.176 99 A CA 2.395 54.443 52.037 0.018 0.000 0.631 99 A CB -1.811 17.182 19.000 -0.011 0.000 0.814 99 A HN 0.999 9.149 8.150 -0.000 0.000 0.446 100 T N -0.287 114.270 114.554 0.005 0.000 2.833 100 T HA -0.026 4.325 4.350 0.001 0.000 0.269 100 T C 1.950 176.840 174.700 0.316 0.000 1.054 100 T CA 1.225 63.336 62.100 0.018 0.000 1.135 100 T CB -0.638 68.026 68.868 -0.339 0.000 0.869 100 T HN 0.569 8.809 8.240 -0.000 0.000 0.466 101 G N 1.545 110.569 108.800 0.373 0.000 2.440 101 G HA2 -0.132 3.828 3.960 0.001 0.000 0.218 101 G HA3 -0.132 3.828 3.960 0.001 0.000 0.218 101 G C 1.446 176.568 174.900 0.370 0.000 1.154 101 G CA 0.448 45.833 45.100 0.475 0.000 0.767 101 G HN 0.457 8.747 8.290 -0.000 0.000 0.552 102 L N 0.508 121.852 121.223 0.202 0.000 2.217 102 L HA 0.060 4.400 4.340 0.001 0.000 0.211 102 L C 3.326 180.280 176.870 0.139 0.000 1.107 102 L CA 0.659 55.539 54.840 0.067 0.000 0.783 102 L CB -0.241 41.820 42.059 0.004 0.000 0.919 102 L HN 0.306 8.536 8.230 -0.000 0.000 0.442 103 A N -0.458 122.502 122.820 0.232 0.000 1.933 103 A HA -0.267 4.053 4.320 0.001 0.000 0.218 103 A C 1.987 179.776 177.584 0.342 0.000 1.175 103 A CA 1.384 53.584 52.037 0.273 0.000 0.628 103 A CB -0.925 18.175 19.000 0.168 0.000 0.814 103 A HN 0.622 8.772 8.150 -0.000 0.000 0.444 104 W N 0.937 122.357 121.300 0.199 0.000 2.355 104 W HA -0.194 4.467 4.660 0.001 0.000 0.309 104 W C 1.691 178.277 176.519 0.112 0.000 1.206 104 W CA 1.737 59.183 57.345 0.169 0.000 1.284 104 W CB -0.193 29.355 29.460 0.148 0.000 1.145 104 W HN 0.240 8.420 8.180 -0.000 0.000 0.502 105 I N 1.197 121.758 120.570 -0.014 0.000 2.151 105 I HA -0.342 3.829 4.170 0.001 0.000 0.243 105 I C 2.502 178.502 176.117 -0.196 0.000 1.080 105 I CA 2.044 63.178 61.300 -0.276 0.000 1.339 105 I CB -2.006 35.866 38.000 -0.213 0.000 1.039 105 I HN 0.166 8.376 8.210 -0.000 0.000 0.409 106 A N 0.108 122.929 122.820 0.002 0.000 1.902 106 A HA -0.273 4.047 4.320 0.001 0.000 0.217 106 A C 2.246 179.877 177.584 0.078 0.000 1.181 106 A CA 1.937 54.054 52.037 0.132 0.000 0.623 106 A CB -0.688 18.545 19.000 0.387 0.000 0.818 106 A HN 0.472 8.622 8.150 -0.000 0.000 0.443 107 Q N -0.131 119.811 119.800 0.236 0.000 2.170 107 Q HA -0.162 4.178 4.340 0.001 0.000 0.203 107 Q C 1.828 177.823 176.000 -0.009 0.000 0.976 107 Q CA 1.928 57.878 55.803 0.245 0.000 0.858 107 Q CB -0.358 28.540 28.738 0.266 0.000 0.907 107 Q HN 0.653 8.923 8.270 -0.000 0.000 0.433 108 Q N -0.609 119.066 119.800 -0.209 0.000 2.444 108 Q HA 0.194 4.534 4.340 0.001 0.000 0.206 108 Q C 0.355 176.241 176.000 -0.189 0.000 0.948 108 Q CA 0.638 56.274 55.803 -0.278 0.000 0.946 108 Q CB 0.159 28.544 28.738 -0.589 0.000 1.027 108 Q HN 0.524 8.794 8.270 -0.000 0.000 0.513 109 A N 0.499 123.238 122.820 -0.136 0.000 2.799 109 A HA -0.235 4.086 4.320 0.001 0.000 0.287 109 A C 0.723 178.257 177.584 -0.083 0.000 1.484 109 A CA 0.794 52.773 52.037 -0.097 0.000 0.813 109 A CB -1.867 17.084 19.000 -0.082 0.000 1.009 109 A HN 0.395 8.545 8.150 -0.000 0.000 0.545 110 A N -0.042 122.704 122.820 -0.123 0.000 2.990 110 A HA 0.572 4.892 4.320 0.001 0.000 0.282 110 A C 1.282 178.910 177.584 0.074 0.000 1.688 110 A CA 0.273 52.258 52.037 -0.086 0.000 1.391 110 A CB -0.553 18.335 19.000 -0.186 0.000 1.112 110 A HN 0.911 9.061 8.150 -0.000 0.000 0.588 111 L N 0.083 121.418 121.223 0.186 0.000 2.079 111 L HA -0.133 4.207 4.340 0.001 0.000 0.210 111 L C 0.934 177.973 176.870 0.281 0.000 1.081 111 L CA 1.167 56.140 54.840 0.222 0.000 0.752 111 L CB -0.251 41.833 42.059 0.040 0.000 0.896 111 L HN 0.592 8.822 8.230 -0.000 0.000 0.433 112 E N -0.268 120.118 120.200 0.309 0.000 2.179 112 E HA 0.428 4.778 4.350 0.001 0.000 0.275 112 E C -1.071 175.690 176.600 0.268 0.000 0.945 112 E CA -0.468 56.108 56.400 0.293 0.000 0.792 112 E CB 2.682 32.640 29.700 0.430 0.000 1.125 112 E HN -0.158 8.202 8.360 -0.000 0.000 0.397 113 V N 4.018 124.041 119.914 0.183 0.000 2.448 113 V HA 0.245 4.365 4.120 0.001 0.000 0.295 113 V C -0.453 175.700 176.094 0.099 0.000 1.025 113 V CA -0.706 61.698 62.300 0.173 0.000 0.859 113 V CB 1.205 33.084 31.823 0.093 0.000 0.988 113 V HN 0.661 8.851 8.190 -0.000 0.000 0.431 114 H N 3.454 122.593 119.070 0.116 0.000 2.489 114 H HA 0.740 5.296 4.556 0.001 0.000 0.343 114 H C -0.728 174.603 175.328 0.004 0.000 1.086 114 H CA -0.564 55.534 56.048 0.083 0.000 1.198 114 H CB 2.517 32.365 29.762 0.143 0.000 1.490 114 H HN 0.580 8.860 8.280 -0.000 0.000 0.504 115 V N 0.747 120.678 119.914 0.029 0.000 3.007 115 V HA 0.545 4.666 4.120 0.001 0.000 0.311 115 V C -2.812 173.164 176.094 -0.197 0.000 1.120 115 V CA -2.403 59.825 62.300 -0.121 0.000 0.980 115 V CB 2.712 34.459 31.823 -0.125 0.000 1.033 115 V HN 0.537 8.727 8.190 -0.000 0.000 0.429 116 P HA 0.339 4.759 4.420 -0.000 0.000 0.282 116 P C -0.548 176.505 177.300 -0.411 0.000 1.287 116 P CA -0.085 62.737 63.100 -0.464 0.000 0.792 116 P CB 1.033 32.199 31.700 -0.889 0.000 1.163 117 Q N -0.948 118.702 119.800 -0.250 0.000 2.320 117 Q HA 0.120 4.460 4.340 0.001 0.000 0.201 117 Q C 0.231 176.236 176.000 0.007 0.000 0.910 117 Q CA 0.527 56.293 55.803 -0.061 0.000 0.946 117 Q CB -0.172 28.587 28.738 0.035 0.000 1.062 117 Q HN 0.628 8.898 8.270 -0.000 0.000 0.503 118 W N 0.083 121.342 121.300 -0.068 0.000 2.647 118 W HA 0.703 5.364 4.660 0.001 0.000 0.353 118 W C -0.656 175.780 176.519 -0.138 0.000 1.080 118 W CA -1.050 56.239 57.345 -0.093 0.000 1.208 118 W CB 0.683 30.069 29.460 -0.123 0.000 1.396 118 W HN -0.266 7.914 8.180 -0.000 0.000 0.573 119 R N 0.695 121.347 120.500 0.253 0.000 2.778 119 R HA 0.483 4.823 4.340 0.001 0.000 0.277 119 R C -0.773 175.719 176.300 0.319 0.000 0.977 119 R CA -1.038 55.156 56.100 0.157 0.000 0.950 119 R CB 1.881 32.257 30.300 0.127 0.000 1.165 119 R HN 0.243 8.513 8.270 -0.000 0.000 0.474 120 F N 0.874 121.044 119.950 0.365 0.000 2.563 120 F HA 0.140 4.667 4.527 0.000 0.000 0.363 120 F C 0.660 176.553 175.800 0.156 0.000 1.123 120 F CA 0.187 58.353 58.000 0.277 0.000 1.307 120 F CB 0.596 39.725 39.000 0.215 0.000 1.115 120 F HN 0.054 8.354 8.300 -0.000 0.000 0.592 121 V N 3.301 123.400 119.914 0.308 0.000 2.604 121 V HA 0.797 4.918 4.120 0.001 0.000 0.305 121 V C -0.547 175.637 176.094 0.149 0.000 1.043 121 V CA -0.934 61.475 62.300 0.182 0.000 0.888 121 V CB 1.495 33.389 31.823 0.118 0.000 0.995 121 V HN 0.940 9.130 8.190 -0.000 0.000 0.429 122 A N 5.327 128.211 122.820 0.107 0.000 2.454 122 A HA 0.528 4.848 4.320 0.001 0.000 0.260 122 A C 0.256 177.874 177.584 0.056 0.000 1.106 122 A CA -0.113 51.967 52.037 0.072 0.000 0.780 122 A CB -0.085 18.946 19.000 0.051 0.000 1.044 122 A HN 1.096 9.246 8.150 -0.000 0.000 0.498 123 E N 4.426 124.655 120.200 0.048 0.000 2.366 123 E HA 0.317 4.668 4.350 0.001 0.000 0.266 123 E C -1.875 174.741 176.600 0.026 0.000 1.051 123 E CA -1.499 54.922 56.400 0.035 0.000 0.884 123 E CB 0.562 30.281 29.700 0.031 0.000 1.006 123 E HN 0.396 8.756 8.360 -0.000 0.000 0.417 124 P HA -0.270 4.150 4.420 -0.000 0.000 0.213 124 P C 1.262 178.570 177.300 0.014 0.000 1.176 124 P CA 1.964 65.075 63.100 0.017 0.000 0.919 124 P CB -0.289 31.419 31.700 0.015 0.000 0.791 125 G N -0.286 108.521 108.800 0.011 0.000 2.736 125 G HA2 -0.169 3.791 3.960 0.001 0.000 0.214 125 G HA3 -0.169 3.791 3.960 0.001 0.000 0.214 125 G C 0.691 175.596 174.900 0.008 0.000 1.327 125 G CA 1.066 46.171 45.100 0.008 0.000 0.818 125 G HN 0.539 8.829 8.290 -0.000 0.000 0.611 126 S N 0.204 115.908 115.700 0.008 0.000 2.499 126 S HA 0.494 4.964 4.470 0.001 0.000 0.279 126 S C 1.029 175.635 174.600 0.010 0.000 1.219 126 S CA 0.143 58.346 58.200 0.006 0.000 1.062 126 S CB 1.380 64.583 63.200 0.004 0.000 0.978 126 S HN 0.642 8.952 8.310 -0.000 0.000 0.489 127 G N 3.202 112.007 108.800 0.009 0.000 3.337 127 G HA2 0.067 4.028 3.960 0.001 0.000 0.226 127 G HA3 0.067 4.028 3.960 0.001 0.000 0.226 127 G C 0.282 175.188 174.900 0.011 0.000 1.295 127 G CA -0.295 44.813 45.100 0.013 0.000 1.427 127 G HN 0.826 9.116 8.290 -0.000 0.000 0.535 128 E N 0.404 120.610 120.200 0.011 0.000 2.415 128 E HA 0.101 4.451 4.350 0.001 0.000 0.263 128 E C -0.064 176.552 176.600 0.026 0.000 0.995 128 E CA -0.362 56.042 56.400 0.008 0.000 0.915 128 E CB 0.396 30.103 29.700 0.011 0.000 0.951 128 E HN 0.142 8.502 8.360 -0.000 0.000 0.449 129 L N 5.276 126.501 121.223 0.004 0.000 2.315 129 L HA 0.224 4.564 4.340 0.001 0.000 0.283 129 L C 0.176 177.149 176.870 0.172 0.000 1.089 129 L CA -0.313 54.557 54.840 0.050 0.000 0.833 129 L CB 0.370 42.345 42.059 -0.140 0.000 1.170 129 L HN 0.434 8.664 8.230 -0.000 0.000 0.442 130 N N 3.805 122.671 118.700 0.275 0.000 2.292 130 N HA 0.448 5.188 4.740 0.001 0.000 0.303 130 N C -2.647 173.016 175.510 0.255 0.000 1.140 130 N CA -1.806 51.407 53.050 0.271 0.000 0.788 130 N CB 1.866 40.411 38.487 0.097 0.000 1.361 130 N HN 0.145 8.525 8.380 -0.000 0.000 0.489 131 P HA 0.036 4.456 4.420 -0.000 0.000 0.261 131 P C 0.127 177.229 177.300 -0.330 0.000 1.183 131 P CA 0.319 63.049 63.100 -0.617 0.000 0.761 131 P CB 0.264 31.238 31.700 -1.211 0.000 0.785 132 G N 4.602 113.314 108.800 -0.147 0.000 2.671 132 G HA2 0.578 4.538 3.960 0.001 0.000 0.275 132 G HA3 0.578 4.538 3.960 0.001 0.000 0.275 132 G C -2.575 172.299 174.900 -0.044 0.000 1.368 132 G CA -1.365 43.714 45.100 -0.034 0.000 1.044 132 G HN 0.283 8.573 8.290 -0.000 0.000 0.543 133 P HA 0.376 4.796 4.420 -0.000 0.000 0.274 133 P C -0.288 177.085 177.300 0.123 0.000 1.256 133 P CA -0.151 62.971 63.100 0.037 0.000 0.795 133 P CB 0.767 32.490 31.700 0.039 0.000 1.038 134 A N 0.769 123.665 122.820 0.126 0.000 2.477 134 A HA 0.302 4.623 4.320 0.001 0.000 0.246 134 A C 1.395 179.054 177.584 0.125 0.000 1.078 134 A CA 0.465 52.599 52.037 0.163 0.000 0.770 134 A CB -0.617 18.462 19.000 0.131 0.000 1.011 134 A HN 0.669 8.819 8.150 -0.000 0.000 0.494 135 T N -0.779 113.849 114.554 0.124 0.000 3.037 135 T HA 0.257 4.607 4.350 0.001 0.000 0.251 135 T C 0.566 175.337 174.700 0.117 0.000 1.079 135 T CA 0.409 62.573 62.100 0.107 0.000 1.067 135 T CB -0.213 68.711 68.868 0.093 0.000 0.948 135 T HN 0.954 9.194 8.240 -0.000 0.000 0.496 136 R N -0.131 120.446 120.500 0.128 0.000 2.734 136 R HA 0.653 4.994 4.340 0.001 0.000 0.271 136 R C -1.752 174.629 176.300 0.135 0.000 1.021 136 R CA -1.101 55.096 56.100 0.161 0.000 0.893 136 R CB 0.912 31.337 30.300 0.208 0.000 1.244 136 R HN 0.118 8.388 8.270 -0.000 0.000 0.464 137 L N 1.288 122.595 121.223 0.141 0.000 2.334 137 L HA 0.678 5.018 4.340 0.001 0.000 0.275 137 L C -0.451 176.409 176.870 -0.016 0.000 1.036 137 L CA -1.328 53.528 54.840 0.027 0.000 0.807 137 L CB 1.850 43.941 42.059 0.054 0.000 1.231 137 L HN 0.412 8.642 8.230 -0.000 0.000 0.438 138 V N 2.417 122.182 119.914 -0.247 0.000 2.735 138 V HA 0.552 4.672 4.120 0.001 0.000 0.310 138 V C -1.272 174.527 176.094 -0.491 0.000 1.061 138 V CA -0.356 61.715 62.300 -0.380 0.000 0.913 138 V CB 2.100 33.633 31.823 -0.482 0.000 1.005 138 V HN 0.467 8.657 8.190 -0.000 0.000 0.428 139 F N 3.917 123.775 119.950 -0.153 0.000 2.507 139 F HA 0.501 5.028 4.527 0.000 0.000 0.325 139 F C -0.126 175.604 175.800 -0.116 0.000 1.116 139 F CA -0.628 57.314 58.000 -0.096 0.000 0.930 139 F CB 1.831 40.801 39.000 -0.049 0.000 1.146 139 F HN 0.439 8.739 8.300 -0.000 0.000 0.447 140 D N 3.720 124.108 120.400 -0.020 0.000 2.373 140 D HA 0.320 4.960 4.640 0.001 0.000 0.227 140 D C -1.126 175.015 176.300 -0.266 0.000 1.091 140 D CA -0.343 53.538 54.000 -0.199 0.000 0.840 140 D CB 0.955 41.672 40.800 -0.138 0.000 1.060 140 D HN 0.237 8.607 8.370 -0.000 0.000 0.502 141 L N 4.045 125.122 121.223 -0.243 0.000 2.268 141 L HA 0.284 4.625 4.340 0.001 0.000 0.289 141 L C -0.028 176.753 176.870 -0.148 0.000 1.064 141 L CA -0.301 54.445 54.840 -0.157 0.000 0.824 141 L CB 0.987 42.992 42.059 -0.090 0.000 1.202 141 L HN 0.301 8.531 8.230 -0.000 0.000 0.433 142 D N 5.685 126.031 120.400 -0.091 0.000 2.349 142 D HA 0.360 5.001 4.640 0.001 0.000 0.232 142 D C -2.476 173.860 176.300 0.061 0.000 1.071 142 D CA -1.679 52.318 54.000 -0.005 0.000 0.832 142 D CB 1.609 42.460 40.800 0.085 0.000 1.086 142 D HN 0.181 8.551 8.370 -0.000 0.000 0.504 143 P HA 0.253 4.673 4.420 -0.000 0.000 0.287 143 P C 0.266 177.594 177.300 0.047 0.000 1.281 143 P CA -0.413 62.708 63.100 0.035 0.000 0.781 143 P CB 1.442 33.147 31.700 0.009 0.000 0.903 144 G N 3.101 111.934 108.800 0.055 0.000 2.588 144 G HA2 0.151 4.111 3.960 0.001 0.000 0.278 144 G HA3 0.151 4.111 3.960 0.001 0.000 0.278 144 G C -0.469 174.447 174.900 0.026 0.000 1.307 144 G CA -0.451 44.675 45.100 0.043 0.000 1.016 144 G HN 0.396 8.686 8.290 -0.000 0.000 0.503 145 E N -0.427 119.784 120.200 0.019 0.000 2.585 145 E HA 0.349 4.699 4.350 0.001 0.000 0.252 145 E C 1.203 177.809 176.600 0.011 0.000 0.981 145 E CA 1.568 57.976 56.400 0.012 0.000 0.943 145 E CB 0.230 29.936 29.700 0.009 0.000 0.923 145 E HN 1.104 9.464 8.360 -0.000 0.000 0.486 146 G N 1.915 110.720 108.800 0.008 0.000 2.179 146 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 146 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 146 G C 0.271 175.175 174.900 0.007 0.000 0.977 146 G CA 0.095 45.198 45.100 0.006 0.000 0.641 146 G HN 0.467 8.757 8.290 -0.000 0.000 0.533 147 V N 3.184 123.104 119.914 0.010 0.000 2.439 147 V HA 0.484 4.604 4.120 0.001 0.000 0.271 147 V C 1.102 177.199 176.094 0.005 0.000 1.040 147 V CA 0.701 63.007 62.300 0.011 0.000 1.002 147 V CB 0.766 32.600 31.823 0.018 0.000 1.000 147 V HN 0.553 8.743 8.190 -0.000 0.000 0.477 148 M N 4.993 124.595 119.600 0.003 0.000 2.342 148 M HA 0.487 4.967 4.480 0.001 0.000 0.332 148 M C 0.889 177.188 176.300 -0.001 0.000 1.166 148 M CA -0.589 54.710 55.300 -0.001 0.000 1.086 148 M CB 1.117 33.716 32.600 -0.001 0.000 1.541 148 M HN 0.288 8.578 8.290 -0.000 0.000 0.462 149 M N 1.227 120.824 119.600 -0.006 0.000 2.260 149 M HA -0.136 4.344 4.480 0.001 0.000 0.261 149 M C 2.154 178.454 176.300 0.001 0.000 1.066 149 M CA 2.009 57.304 55.300 -0.008 0.000 1.082 149 M CB -1.816 30.775 32.600 -0.015 0.000 1.388 149 M HN 1.057 9.347 8.290 -0.000 0.000 0.419 150 A N -0.013 122.809 122.820 0.004 0.000 1.908 150 A HA -0.245 4.076 4.320 0.001 0.000 0.218 150 A C 2.186 179.778 177.584 0.014 0.000 1.181 150 A CA 2.042 54.085 52.037 0.010 0.000 0.627 150 A CB -0.823 18.181 19.000 0.008 0.000 0.818 150 A HN 0.623 8.773 8.150 -0.000 0.000 0.445 151 Q N -1.175 118.632 119.800 0.012 0.000 2.119 151 Q HA -0.131 4.210 4.340 0.001 0.000 0.201 151 Q C 1.982 177.992 176.000 0.017 0.000 0.972 151 Q CA 1.373 57.185 55.803 0.015 0.000 0.847 151 Q CB -0.189 28.557 28.738 0.014 0.000 0.903 151 Q HN 0.507 8.777 8.270 -0.000 0.000 0.433 152 L N 0.676 121.906 121.223 0.011 0.000 2.046 152 L HA -0.125 4.215 4.340 0.001 0.000 0.208 152 L C 2.237 179.118 176.870 0.019 0.000 1.077 152 L CA 2.211 57.055 54.840 0.007 0.000 0.747 152 L CB -0.901 41.152 42.059 -0.010 0.000 0.896 152 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 153 A N -1.010 121.826 122.820 0.027 0.000 1.902 153 A HA -0.280 4.040 4.320 0.001 0.000 0.217 153 A C 2.330 179.967 177.584 0.088 0.000 1.181 153 A CA 1.842 53.917 52.037 0.063 0.000 0.623 153 A CB -0.732 18.301 19.000 0.056 0.000 0.818 153 A HN 0.599 8.749 8.150 -0.000 0.000 0.443 154 E N -0.231 120.000 120.200 0.051 0.000 2.077 154 E HA -0.138 4.212 4.350 0.001 0.000 0.193 154 E C 1.870 178.488 176.600 0.030 0.000 0.989 154 E CA 1.484 57.906 56.400 0.037 0.000 0.800 154 E CB -0.138 29.574 29.700 0.020 0.000 0.746 154 E HN 0.317 8.677 8.360 -0.000 0.000 0.452 155 V N 1.296 121.227 119.914 0.029 0.000 2.343 155 V HA -0.276 3.844 4.120 0.001 0.000 0.247 155 V C 2.483 178.591 176.094 0.024 0.000 1.051 155 V CA 1.805 64.115 62.300 0.017 0.000 1.036 155 V CB -0.848 30.986 31.823 0.018 0.000 0.654 155 V HN 0.454 8.644 8.190 -0.000 0.000 0.451 156 A N -0.054 122.810 122.820 0.073 0.000 1.883 156 A HA -0.249 4.072 4.320 0.001 0.000 0.217 156 A C 2.389 180.105 177.584 0.219 0.000 1.186 156 A CA 1.959 54.095 52.037 0.165 0.000 0.624 156 A CB -0.531 18.595 19.000 0.210 0.000 0.822 156 A HN 0.498 8.648 8.150 -0.000 0.000 0.444 157 R N -0.731 119.868 120.500 0.165 0.000 2.096 157 R HA -0.069 4.272 4.340 0.001 0.000 0.235 157 R C 2.456 178.672 176.300 -0.140 0.000 1.127 157 R CA 1.097 57.153 56.100 -0.075 0.000 0.968 157 R CB -0.425 29.845 30.300 -0.051 0.000 0.861 157 R HN 0.536 8.806 8.270 -0.000 0.000 0.440 158 A N 0.655 123.432 122.820 -0.071 0.000 1.898 158 A HA -0.101 4.219 4.320 0.001 0.000 0.216 158 A C 2.330 179.842 177.584 -0.120 0.000 1.181 158 A CA 1.256 53.241 52.037 -0.087 0.000 0.620 158 A CB -0.444 18.524 19.000 -0.053 0.000 0.819 158 A HN 0.103 8.253 8.150 -0.000 0.000 0.442 159 V N 0.202 120.037 119.914 -0.131 0.000 2.295 159 V HA -0.271 3.849 4.120 0.001 0.000 0.246 159 V C 2.639 178.604 176.094 -0.215 0.000 1.049 159 V CA 2.269 64.435 62.300 -0.224 0.000 1.024 159 V CB -0.854 30.774 31.823 -0.325 0.000 0.648 159 V HN 0.657 8.847 8.190 -0.000 0.000 0.447 160 R N 0.062 120.448 120.500 -0.189 0.000 2.091 160 R HA -0.217 4.123 4.340 0.001 0.000 0.238 160 R C 2.025 178.170 176.300 -0.257 0.000 1.136 160 R CA 2.198 58.137 56.100 -0.268 0.000 0.959 160 R CB -0.385 29.518 30.300 -0.662 0.000 0.856 160 R HN 0.527 8.797 8.270 -0.000 0.000 0.437 161 D N 0.523 120.779 120.400 -0.240 0.000 2.117 161 D HA -0.141 4.499 4.640 0.001 0.000 0.198 161 D C 2.018 178.238 176.300 -0.132 0.000 0.982 161 D CA 1.021 54.909 54.000 -0.186 0.000 0.828 161 D CB -0.183 40.521 40.800 -0.160 0.000 0.967 161 D HN 0.278 8.648 8.370 -0.000 0.000 0.464 162 L N 0.174 121.323 121.223 -0.122 0.000 2.056 162 L HA -0.118 4.223 4.340 0.001 0.000 0.207 162 L C 2.494 179.323 176.870 -0.069 0.000 1.078 162 L CA 0.645 55.432 54.840 -0.089 0.000 0.749 162 L CB -0.353 41.652 42.059 -0.090 0.000 0.901 162 L HN 0.038 8.268 8.230 -0.000 0.000 0.433 163 L N -0.411 120.762 121.223 -0.083 0.000 2.093 163 L HA -0.147 4.193 4.340 0.001 0.000 0.208 163 L C 2.867 179.716 176.870 -0.035 0.000 1.085 163 L CA 1.017 55.837 54.840 -0.033 0.000 0.755 163 L CB -0.737 41.311 42.059 -0.017 0.000 0.904 163 L HN 0.211 8.441 8.230 -0.000 0.000 0.435 164 A N -0.155 122.619 122.820 -0.076 0.000 1.972 164 A HA -0.217 4.104 4.320 0.001 0.000 0.219 164 A C 1.871 179.423 177.584 -0.053 0.000 1.169 164 A CA 1.801 53.792 52.037 -0.077 0.000 0.635 164 A CB -0.467 18.458 19.000 -0.125 0.000 0.810 164 A HN 0.345 8.495 8.150 -0.000 0.000 0.446 165 D N -0.126 120.242 120.400 -0.053 0.000 2.263 165 D HA -0.093 4.547 4.640 0.001 0.000 0.208 165 D C 1.212 177.500 176.300 -0.020 0.000 0.971 165 D CA 0.828 54.805 54.000 -0.038 0.000 0.867 165 D CB -0.073 40.703 40.800 -0.039 0.000 0.929 165 D HN 0.376 8.746 8.370 -0.000 0.000 0.492 166 I N -0.694 119.869 120.570 -0.011 0.000 3.904 166 I HA 0.176 4.346 4.170 0.001 0.000 0.333 166 I C 1.407 177.531 176.117 0.013 0.000 1.361 166 I CA 0.213 61.516 61.300 0.006 0.000 1.116 166 I CB -0.156 37.855 38.000 0.018 0.000 1.028 166 I HN 0.006 8.216 8.210 -0.000 0.000 0.398 167 G N 1.580 110.382 108.800 0.003 0.000 2.143 167 G HA2 -0.239 3.721 3.960 0.001 0.000 0.249 167 G HA3 -0.239 3.721 3.960 0.001 0.000 0.249 167 G C 0.171 175.085 174.900 0.022 0.000 0.981 167 G CA -0.129 44.976 45.100 0.008 0.000 0.665 167 G HN 0.325 8.615 8.290 -0.000 0.000 0.528 168 L N 0.116 121.354 121.223 0.025 0.000 2.344 168 L HA 0.733 5.073 4.340 0.001 0.000 0.272 168 L C 0.610 177.494 176.870 0.022 0.000 1.035 168 L CA -1.358 53.513 54.840 0.052 0.000 0.807 168 L CB 1.883 43.992 42.059 0.083 0.000 1.237 168 L HN -0.059 8.171 8.230 -0.000 0.000 0.442 169 V N 0.576 120.517 119.914 0.046 0.000 2.612 169 V HA 0.521 4.641 4.120 0.001 0.000 0.301 169 V C -0.030 176.046 176.094 -0.029 0.000 1.046 169 V CA -0.425 61.849 62.300 -0.044 0.000 0.946 169 V CB 1.819 33.614 31.823 -0.047 0.000 1.003 169 V HN 0.800 8.990 8.190 -0.000 0.000 0.459 170 T N 4.058 118.535 114.554 -0.128 0.000 2.861 170 T HA 0.696 5.046 4.350 0.001 0.000 0.287 170 T C -0.989 173.725 174.700 0.024 0.000 1.003 170 T CA -0.174 61.981 62.100 0.092 0.000 0.977 170 T CB 1.075 70.078 68.868 0.225 0.000 0.996 170 T HN 0.303 8.543 8.240 -0.000 0.000 0.448 171 F N 3.776 123.926 119.950 0.333 0.000 2.477 171 F HA 0.476 5.004 4.527 0.001 0.000 0.335 171 F C -2.256 173.547 175.800 0.005 0.000 1.130 171 F CA -2.505 55.589 58.000 0.157 0.000 0.948 171 F CB 2.014 41.078 39.000 0.105 0.000 1.154 171 F HN 0.261 8.561 8.300 -0.000 0.000 0.439 172 P HA 0.362 4.782 4.420 -0.000 0.000 0.288 172 P C -1.039 176.192 177.300 -0.115 0.000 1.267 172 P CA -0.489 62.434 63.100 -0.296 0.000 0.815 172 P CB 2.104 33.320 31.700 -0.806 0.000 0.989 173 V N 2.474 122.382 119.914 -0.010 0.000 2.462 173 V HA 0.230 4.350 4.120 0.001 0.000 0.288 173 V C 0.415 176.514 176.094 0.009 0.000 1.020 173 V CA -0.631 61.673 62.300 0.006 0.000 0.857 173 V CB 1.342 33.235 31.823 0.116 0.000 1.013 173 V HN 0.662 8.852 8.190 -0.000 0.000 0.431 174 T N 0.704 115.227 114.554 -0.051 0.000 2.888 174 T HA 0.099 4.450 4.350 0.001 0.000 0.301 174 T C 1.411 176.116 174.700 0.008 0.000 1.001 174 T CA 0.318 62.393 62.100 -0.041 0.000 1.147 174 T CB 1.197 70.028 68.868 -0.062 0.000 0.931 174 T HN 0.864 9.104 8.240 -0.000 0.000 0.541 175 S N 2.252 117.974 115.700 0.036 0.000 2.453 175 S HA 0.198 4.668 4.470 0.001 0.000 0.231 175 S C 2.072 176.709 174.600 0.060 0.000 1.005 175 S CA 0.591 58.867 58.200 0.127 0.000 0.949 175 S CB -0.944 62.333 63.200 0.128 0.000 0.774 175 S HN 1.951 10.261 8.310 -0.000 0.000 0.510 176 G N 0.513 109.320 108.800 0.011 0.000 2.258 176 G HA2 -0.338 3.622 3.960 0.001 0.000 0.233 176 G HA3 -0.338 3.622 3.960 0.001 0.000 0.233 176 G C 0.884 175.779 174.900 -0.008 0.000 1.006 176 G CA 0.844 45.938 45.100 -0.009 0.000 0.620 176 G HN 1.193 9.483 8.290 -0.000 0.000 0.511 177 S N -0.390 115.315 115.700 0.009 0.000 3.325 177 S HA 0.493 4.964 4.470 0.001 0.000 0.174 177 S C 1.511 176.105 174.600 -0.009 0.000 0.791 177 S CA 0.917 59.120 58.200 0.006 0.000 1.138 177 S CB 0.161 63.383 63.200 0.037 0.000 0.696 177 S HN 0.190 8.500 8.310 -0.000 0.000 0.698 178 K N 1.040 121.437 120.400 -0.005 0.000 2.168 178 K HA 0.295 4.615 4.320 0.001 0.000 0.201 178 K C 1.147 177.726 176.600 -0.035 0.000 1.049 178 K CA 0.774 57.051 56.287 -0.015 0.000 0.974 178 K CB -0.058 32.442 32.500 0.000 0.000 0.792 178 K HN 0.565 8.815 8.250 -0.000 0.000 0.463 179 G N 0.551 109.314 108.800 -0.062 0.000 3.211 179 G HA2 0.535 4.495 3.960 0.001 0.000 0.167 179 G HA3 0.535 4.495 3.960 0.001 0.000 0.167 179 G C -1.395 173.419 174.900 -0.143 0.000 1.212 179 G CA -0.504 44.534 45.100 -0.103 0.000 0.928 179 G HN 0.139 8.429 8.290 -0.000 0.000 0.607 180 L N -2.322 118.769 121.223 -0.219 0.000 2.466 180 L HA 0.672 5.012 4.340 0.001 0.000 0.258 180 L C -1.193 175.484 176.870 -0.322 0.000 0.973 180 L CA -1.091 53.629 54.840 -0.199 0.000 0.826 180 L CB 1.910 43.897 42.059 -0.121 0.000 1.372 180 L HN 0.543 8.773 8.230 -0.000 0.000 0.409 181 H N 2.935 121.975 119.070 -0.050 0.000 2.499 181 H HA 0.671 5.227 4.556 0.001 0.000 0.340 181 H C -1.067 174.215 175.328 -0.077 0.000 1.148 181 H CA -0.514 55.474 56.048 -0.100 0.000 1.215 181 H CB 2.429 32.097 29.762 -0.156 0.000 1.529 181 H HN 0.559 8.839 8.280 -0.000 0.000 0.510 182 L N 3.456 124.698 121.223 0.031 0.000 2.333 182 L HA 0.318 4.659 4.340 0.001 0.000 0.280 182 L C -0.980 175.926 176.870 0.059 0.000 1.004 182 L CA -0.718 54.192 54.840 0.117 0.000 0.820 182 L CB 1.004 43.164 42.059 0.168 0.000 1.247 182 L HN 0.460 8.690 8.230 -0.000 0.000 0.416 183 Y N 0.956 121.419 120.300 0.271 0.000 2.409 183 Y HA 0.522 5.072 4.550 0.001 0.000 0.339 183 Y C 0.253 176.373 175.900 0.366 0.000 1.033 183 Y CA -0.520 57.737 58.100 0.262 0.000 1.094 183 Y CB 2.412 40.962 38.460 0.150 0.000 1.210 183 Y HN 0.370 8.650 8.280 -0.000 0.000 0.456 184 T N 5.533 120.362 114.554 0.459 0.000 2.949 184 T HA 0.304 4.654 4.350 0.001 0.000 0.300 184 T C -2.947 171.950 174.700 0.329 0.000 0.988 184 T CA -1.630 60.709 62.100 0.399 0.000 0.993 184 T CB 1.475 70.541 68.868 0.331 0.000 0.984 184 T HN 0.232 8.472 8.240 -0.000 0.000 0.442 185 P HA 0.281 4.701 4.420 -0.000 0.000 0.276 185 P C -0.615 176.797 177.300 0.188 0.000 1.230 185 P CA -0.484 62.756 63.100 0.234 0.000 0.776 185 P CB 0.752 32.589 31.700 0.227 0.000 0.888 186 L N 3.317 124.630 121.223 0.150 0.000 2.305 186 L HA 0.118 4.458 4.340 0.001 0.000 0.281 186 L C 1.529 178.461 176.870 0.104 0.000 1.085 186 L CA -0.304 54.608 54.840 0.121 0.000 0.813 186 L CB 0.531 42.654 42.059 0.106 0.000 1.157 186 L HN 0.355 8.585 8.230 -0.000 0.000 0.436 187 D N 1.424 121.880 120.400 0.093 0.000 2.084 187 D HA -0.148 4.492 4.640 0.001 0.000 0.196 187 D C 0.221 176.561 176.300 0.067 0.000 0.985 187 D CA 0.944 54.991 54.000 0.079 0.000 0.826 187 D CB -0.154 40.688 40.800 0.070 0.000 0.978 187 D HN 0.616 8.986 8.370 -0.000 0.000 0.456 188 E N 1.323 121.559 120.200 0.061 0.000 2.134 188 E HA 0.465 4.816 4.350 0.001 0.000 0.278 188 E C -2.621 174.014 176.600 0.058 0.000 0.959 188 E CA -2.422 54.010 56.400 0.054 0.000 0.783 188 E CB 1.302 31.029 29.700 0.044 0.000 1.095 188 E HN -0.019 8.341 8.360 -0.000 0.000 0.399 189 P HA 0.023 4.443 4.420 -0.000 0.000 0.269 189 P C -0.806 176.525 177.300 0.052 0.000 1.215 189 P CA -0.464 62.674 63.100 0.063 0.000 0.780 189 P CB 0.876 32.616 31.700 0.065 0.000 0.898 190 V N 0.706 120.652 119.914 0.053 0.000 3.130 190 V HA 0.530 4.650 4.120 0.001 0.000 0.310 190 V C -0.310 175.804 176.094 0.034 0.000 1.158 190 V CA -0.677 61.647 62.300 0.039 0.000 1.029 190 V CB 2.143 33.992 31.823 0.043 0.000 1.057 190 V HN 0.772 8.962 8.190 -0.000 0.000 0.436 191 S N 3.230 118.940 115.700 0.016 0.000 2.566 191 S HA 0.088 4.559 4.470 0.001 0.000 0.280 191 S C 1.172 175.781 174.600 0.015 0.000 1.343 191 S CA 0.533 58.731 58.200 -0.003 0.000 1.036 191 S CB 1.008 64.198 63.200 -0.017 0.000 0.866 191 S HN 1.003 9.313 8.310 -0.000 0.000 0.526 192 S N 1.345 117.047 115.700 0.003 0.000 2.383 192 S HA -0.153 4.318 4.470 0.001 0.000 0.229 192 S C 1.935 176.559 174.600 0.041 0.000 1.030 192 S CA 1.288 59.514 58.200 0.043 0.000 1.002 192 S CB -0.530 62.699 63.200 0.048 0.000 0.829 192 S HN 0.784 9.094 8.310 -0.000 0.000 0.467 193 R N 0.840 121.350 120.500 0.017 0.000 2.080 193 R HA -0.135 4.205 4.340 0.001 0.000 0.236 193 R C 2.481 178.800 176.300 0.031 0.000 1.137 193 R CA 1.703 57.820 56.100 0.027 0.000 0.943 193 R CB -0.837 29.469 30.300 0.010 0.000 0.846 193 R HN 0.460 8.730 8.270 -0.000 0.000 0.431 194 G N -0.272 108.542 108.800 0.023 0.000 2.418 194 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 194 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 194 G C 1.516 176.436 174.900 0.033 0.000 1.158 194 G CA 0.760 45.874 45.100 0.023 0.000 0.771 194 G HN 0.504 8.794 8.290 -0.000 0.000 0.545 195 A N 0.298 123.144 122.820 0.043 0.000 1.902 195 A HA -0.028 4.292 4.320 0.001 0.000 0.217 195 A C 2.530 180.141 177.584 0.045 0.000 1.181 195 A CA 2.474 54.539 52.037 0.047 0.000 0.623 195 A CB -0.885 18.147 19.000 0.053 0.000 0.818 195 A HN 0.302 8.452 8.150 -0.000 0.000 0.443 196 T N -0.394 114.200 114.554 0.066 0.000 2.777 196 T HA -0.091 4.259 4.350 0.001 0.000 0.266 196 T C 1.905 176.643 174.700 0.063 0.000 1.040 196 T CA 1.434 63.607 62.100 0.122 0.000 1.141 196 T CB -0.450 68.525 68.868 0.179 0.000 0.868 196 T HN 0.158 8.398 8.240 -0.000 0.000 0.444 197 V N 1.854 121.777 119.914 0.016 0.000 2.252 197 V HA -0.162 3.959 4.120 0.001 0.000 0.249 197 V C 2.432 178.502 176.094 -0.040 0.000 1.056 197 V CA 1.552 63.826 62.300 -0.043 0.000 1.022 197 V CB -0.780 31.029 31.823 -0.023 0.000 0.641 197 V HN 0.321 8.511 8.190 -0.000 0.000 0.445 198 L N 0.907 122.136 121.223 0.011 0.000 1.989 198 L HA -0.106 4.234 4.340 0.001 0.000 0.211 198 L C 2.469 179.392 176.870 0.088 0.000 1.071 198 L CA 2.503 57.369 54.840 0.043 0.000 0.749 198 L CB -1.229 40.870 42.059 0.067 0.000 0.890 198 L HN 0.234 8.464 8.230 -0.000 0.000 0.431 199 A N -0.655 122.224 122.820 0.098 0.000 1.908 199 A HA -0.287 4.034 4.320 0.001 0.000 0.218 199 A C 2.476 180.179 177.584 0.200 0.000 1.181 199 A CA 2.081 54.225 52.037 0.179 0.000 0.627 199 A CB -0.672 18.244 19.000 -0.140 0.000 0.818 199 A HN 0.530 8.680 8.150 -0.000 0.000 0.445 200 K N -0.464 119.886 120.400 -0.084 0.000 2.057 200 K HA -0.195 4.125 4.320 0.001 0.000 0.207 200 K C 2.332 178.744 176.600 -0.313 0.000 1.049 200 K CA 1.597 57.527 56.287 -0.595 0.000 0.931 200 K CB -0.195 31.690 32.500 -1.025 0.000 0.714 200 K HN 0.457 8.707 8.250 -0.000 0.000 0.440 201 R N 0.247 120.657 120.500 -0.151 0.000 2.091 201 R HA -0.123 4.217 4.340 0.001 0.000 0.238 201 R C 1.971 178.261 176.300 -0.016 0.000 1.136 201 R CA 1.578 57.632 56.100 -0.077 0.000 0.959 201 R CB -0.188 30.087 30.300 -0.042 0.000 0.856 201 R HN 0.064 8.334 8.270 -0.000 0.000 0.437 202 V N 0.915 120.865 119.914 0.059 0.000 2.358 202 V HA -0.190 3.930 4.120 0.001 0.000 0.246 202 V C 2.477 178.607 176.094 0.061 0.000 1.047 202 V CA 1.878 64.220 62.300 0.070 0.000 1.035 202 V CB -0.674 31.224 31.823 0.125 0.000 0.658 202 V HN 0.576 8.766 8.190 -0.000 0.000 0.452 203 A N -0.906 122.000 122.820 0.143 0.000 1.902 203 A HA -0.279 4.041 4.320 0.001 0.000 0.217 203 A C 2.178 179.815 177.584 0.088 0.000 1.181 203 A CA 1.932 54.071 52.037 0.171 0.000 0.623 203 A CB -0.458 18.758 19.000 0.360 0.000 0.818 203 A HN 0.617 8.767 8.150 -0.000 0.000 0.443 204 Q N -1.237 118.568 119.800 0.009 0.000 2.123 204 Q HA -0.118 4.223 4.340 0.001 0.000 0.199 204 Q C 2.370 178.372 176.000 0.003 0.000 0.966 204 Q CA 1.261 57.062 55.803 -0.004 0.000 0.845 204 Q CB -0.137 28.561 28.738 -0.068 0.000 0.907 204 Q HN 0.676 8.946 8.270 -0.000 0.000 0.439 205 R N 0.430 120.927 120.500 -0.005 0.000 2.081 205 R HA -0.175 4.166 4.340 0.001 0.000 0.235 205 R C 2.166 178.465 176.300 -0.000 0.000 1.131 205 R CA 1.017 57.113 56.100 -0.006 0.000 0.960 205 R CB -0.182 30.110 30.300 -0.013 0.000 0.856 205 R HN 0.175 8.445 8.270 -0.000 0.000 0.436 206 L N 1.506 122.732 121.223 0.005 0.000 2.017 206 L HA -0.149 4.191 4.340 0.001 0.000 0.208 206 L C 2.178 179.062 176.870 0.023 0.000 1.073 206 L CA 1.978 56.821 54.840 0.005 0.000 0.745 206 L CB -0.664 41.394 42.059 -0.003 0.000 0.894 206 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 207 E N -1.036 119.191 120.200 0.045 0.000 2.070 207 E HA -0.338 4.013 4.350 0.001 0.000 0.197 207 E C 2.173 178.793 176.600 0.033 0.000 1.004 207 E CA 1.702 58.135 56.400 0.055 0.000 0.805 207 E CB -0.223 29.524 29.700 0.078 0.000 0.744 207 E HN 0.681 9.041 8.360 -0.000 0.000 0.451 208 Q N -0.168 119.644 119.800 0.021 0.000 2.124 208 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 208 Q C 1.996 178.001 176.000 0.008 0.000 0.977 208 Q CA 1.464 57.274 55.803 0.012 0.000 0.850 208 Q CB -0.156 28.584 28.738 0.004 0.000 0.901 208 Q HN 0.335 8.605 8.270 -0.000 0.000 0.429 209 A N 1.256 124.079 122.820 0.006 0.000 1.929 209 A HA -0.036 4.284 4.320 0.001 0.000 0.216 209 A C 1.465 179.051 177.584 0.004 0.000 1.176 209 A CA 1.316 53.353 52.037 0.001 0.000 0.628 209 A CB -0.150 18.846 19.000 -0.006 0.000 0.816 209 A HN 0.607 8.757 8.150 -0.000 0.000 0.444 210 M N -2.518 117.089 119.600 0.011 0.000 2.850 210 M HA 0.335 4.815 4.480 0.001 0.000 0.288 210 M C -2.602 173.712 176.300 0.023 0.000 1.450 210 M CA -1.551 53.757 55.300 0.014 0.000 0.555 210 M CB 1.521 34.127 32.600 0.011 0.000 1.507 210 M HN -0.092 8.198 8.290 -0.000 0.000 0.415 211 P HA -0.041 4.379 4.420 -0.000 0.000 0.223 211 P C 1.210 178.527 177.300 0.029 0.000 1.151 211 P CA 1.593 64.710 63.100 0.030 0.000 0.787 211 P CB 0.214 31.928 31.700 0.023 0.000 0.788 212 A N -0.568 122.265 122.820 0.023 0.000 2.119 212 A HA 0.042 4.363 4.320 0.001 0.000 0.216 212 A C 2.112 179.712 177.584 0.026 0.000 1.152 212 A CA 0.852 52.901 52.037 0.021 0.000 0.708 212 A CB -0.959 18.050 19.000 0.015 0.000 0.805 212 A HN 0.189 8.339 8.150 -0.000 0.000 0.460 213 L N -1.560 119.680 121.223 0.030 0.000 2.749 213 L HA 0.256 4.596 4.340 0.001 0.000 0.242 213 L C -0.567 176.332 176.870 0.048 0.000 1.103 213 L CA 0.068 54.928 54.840 0.033 0.000 0.906 213 L CB 0.889 42.962 42.059 0.024 0.000 1.228 213 L HN 0.043 8.273 8.230 -0.000 0.000 0.517 214 V N -0.604 119.345 119.914 0.059 0.000 2.760 214 V HA 0.409 4.529 4.120 0.001 0.000 0.309 214 V C -0.564 175.597 176.094 0.112 0.000 1.077 214 V CA -0.434 61.919 62.300 0.088 0.000 0.910 214 V CB 2.444 34.311 31.823 0.075 0.000 1.008 214 V HN 0.032 8.222 8.190 -0.000 0.000 0.424 215 T N 1.313 115.969 114.554 0.171 0.000 2.887 215 T HA 0.431 4.781 4.350 0.001 0.000 0.288 215 T C 0.747 175.658 174.700 0.352 0.000 1.021 215 T CA 0.240 62.457 62.100 0.195 0.000 1.000 215 T CB 1.759 70.701 68.868 0.123 0.000 1.034 215 T HN 0.889 9.129 8.240 -0.000 0.000 0.467 216 S N 1.865 117.771 115.700 0.343 0.000 2.540 216 S HA 0.255 4.725 4.470 0.001 0.000 0.218 216 S C 0.428 175.426 174.600 0.665 0.000 0.977 216 S CA -0.430 58.098 58.200 0.547 0.000 0.918 216 S CB -0.011 63.417 63.200 0.379 0.000 0.806 216 S HN 0.665 8.975 8.310 -0.000 0.000 0.496 217 T N 2.739 117.476 114.554 0.305 0.000 2.823 217 T HA 0.362 4.712 4.350 0.001 0.000 0.279 217 T C 0.851 175.252 174.700 -0.498 0.000 0.998 217 T CA -0.742 61.398 62.100 0.067 0.000 0.994 217 T CB 1.619 70.507 68.868 0.035 0.000 0.960 217 T HN 0.058 8.298 8.240 -0.000 0.000 0.448 218 M N 2.351 121.610 119.600 -0.567 0.000 2.175 218 M HA -0.043 4.438 4.480 0.001 0.000 0.264 218 M C 0.684 176.652 176.300 -0.554 0.000 1.063 218 M CA 1.338 56.094 55.300 -0.906 0.000 1.119 218 M CB -0.936 31.467 32.600 -0.328 0.000 1.377 218 M HN 0.791 9.081 8.290 -0.000 0.000 0.415 219 T N 1.185 115.564 114.554 -0.293 0.000 2.830 219 T HA -0.093 4.258 4.350 0.001 0.000 0.282 219 T C 0.748 175.350 174.700 -0.163 0.000 1.024 219 T CA 0.196 62.195 62.100 -0.170 0.000 1.144 219 T CB 0.619 69.428 68.868 -0.098 0.000 1.035 219 T HN 0.224 8.464 8.240 -0.000 0.000 0.507 220 K N 1.985 122.321 120.400 -0.107 0.000 2.103 220 K HA -0.067 4.254 4.320 0.001 0.000 0.204 220 K C 2.660 179.228 176.600 -0.053 0.000 1.052 220 K CA 1.408 57.649 56.287 -0.076 0.000 0.945 220 K CB -0.455 32.018 32.500 -0.045 0.000 0.722 220 K HN 0.811 9.061 8.250 -0.000 0.000 0.443 221 S N 0.165 115.839 115.700 -0.043 0.000 2.382 221 S HA -0.115 4.355 4.470 0.001 0.000 0.228 221 S C 1.628 176.213 174.600 -0.025 0.000 1.027 221 S CA 1.037 59.220 58.200 -0.027 0.000 0.991 221 S CB -0.404 62.783 63.200 -0.022 0.000 0.823 221 S HN 0.262 8.572 8.310 -0.000 0.000 0.469 222 L N 1.560 122.762 121.223 -0.036 0.000 2.611 222 L HA 0.281 4.622 4.340 0.001 0.000 0.229 222 L C 2.573 179.429 176.870 -0.023 0.000 1.137 222 L CA 0.158 54.983 54.840 -0.025 0.000 0.901 222 L CB -0.297 41.748 42.059 -0.023 0.000 1.098 222 L HN 0.475 8.705 8.230 -0.000 0.000 0.456 223 R N 1.034 121.514 120.500 -0.033 0.000 2.200 223 R HA 0.154 4.495 4.340 0.001 0.000 0.208 223 R C 1.069 177.375 176.300 0.010 0.000 1.033 223 R CA 0.500 56.589 56.100 -0.018 0.000 1.000 223 R CB -0.115 30.161 30.300 -0.040 0.000 0.906 223 R HN 0.106 8.376 8.270 -0.000 0.000 0.462 224 A N 1.226 124.049 122.820 0.005 0.000 2.567 224 A HA 0.360 4.681 4.320 0.001 0.000 0.240 224 A C 1.302 178.895 177.584 0.015 0.000 1.053 224 A CA 0.660 52.703 52.037 0.010 0.000 0.755 224 A CB -0.530 18.473 19.000 0.005 0.000 0.978 224 A HN 0.739 8.889 8.150 -0.000 0.000 0.507 225 G N 1.877 110.688 108.800 0.018 0.000 2.168 225 G HA2 -0.253 3.707 3.960 0.001 0.000 0.263 225 G HA3 -0.253 3.707 3.960 0.001 0.000 0.263 225 G C 0.188 175.105 174.900 0.028 0.000 0.977 225 G CA 1.056 46.167 45.100 0.020 0.000 0.659 225 G HN 0.912 9.202 8.290 -0.000 0.000 0.533 226 K N -0.460 119.963 120.400 0.038 0.000 2.328 226 K HA 0.650 4.970 4.320 0.001 0.000 0.246 226 K C -0.390 176.256 176.600 0.076 0.000 0.955 226 K CA -1.026 55.294 56.287 0.055 0.000 0.817 226 K CB 2.962 35.499 32.500 0.063 0.000 1.208 226 K HN -0.005 8.245 8.250 -0.000 0.000 0.432 227 V N 2.938 122.903 119.914 0.084 0.000 2.432 227 V HA 0.108 4.229 4.120 0.001 0.000 0.271 227 V C -0.395 175.810 176.094 0.185 0.000 1.046 227 V CA -0.502 61.858 62.300 0.100 0.000 0.945 227 V CB 0.089 31.947 31.823 0.058 0.000 0.992 227 V HN 0.543 8.733 8.190 -0.000 0.000 0.471 228 F N 6.953 126.919 119.950 0.025 0.000 2.466 228 F HA 0.349 4.876 4.527 0.000 0.000 0.363 228 F C 0.240 176.074 175.800 0.055 0.000 1.109 228 F CA -0.792 57.232 58.000 0.040 0.000 1.161 228 F CB 0.765 39.776 39.000 0.018 0.000 1.117 228 F HN 0.242 8.542 8.300 -0.000 0.000 0.539 229 V N 6.670 126.623 119.914 0.064 0.000 2.299 229 V HA 0.052 4.173 4.120 0.001 0.000 0.255 229 V C -0.088 175.858 176.094 -0.247 0.000 1.100 229 V CA -0.542 61.728 62.300 -0.049 0.000 0.938 229 V CB 0.178 32.079 31.823 0.129 0.000 1.139 229 V HN 0.580 8.770 8.190 -0.000 0.000 0.490 230 D N 5.194 125.125 120.400 -0.783 0.000 2.336 230 D HA 0.088 4.728 4.640 0.001 0.000 0.249 230 D C 0.951 176.993 176.300 -0.429 0.000 1.213 230 D CA -0.593 52.791 54.000 -1.028 0.000 0.870 230 D CB 0.607 40.684 40.800 -1.206 0.000 1.076 230 D HN 0.635 9.005 8.370 -0.000 0.000 0.483 231 W N 3.002 124.226 121.300 -0.127 0.000 3.197 231 W HA 0.036 4.696 4.660 0.001 0.000 0.274 231 W C 1.005 177.437 176.519 -0.144 0.000 1.297 231 W CA 0.235 57.484 57.345 -0.159 0.000 1.662 231 W CB -1.189 28.264 29.460 -0.012 0.000 1.106 231 W HN 0.428 8.608 8.180 -0.000 0.000 0.663 232 S N 0.813 115.997 115.700 -0.861 0.000 2.489 232 S HA -0.143 4.327 4.470 0.001 0.000 0.228 232 S C 1.522 175.964 174.600 -0.264 0.000 0.995 232 S CA 0.686 58.455 58.200 -0.720 0.000 0.934 232 S CB -0.526 62.121 63.200 -0.920 0.000 0.771 232 S HN 0.372 8.682 8.310 -0.000 0.000 0.522 233 Q N 1.039 120.701 119.800 -0.231 0.000 2.472 233 Q HA 0.182 4.523 4.340 0.001 0.000 0.208 233 Q C 1.138 177.088 176.000 -0.083 0.000 0.958 233 Q CA 0.298 56.021 55.803 -0.133 0.000 0.932 233 Q CB -0.203 28.461 28.738 -0.124 0.000 1.007 233 Q HN 0.609 8.879 8.270 -0.000 0.000 0.508 234 N N 0.301 118.956 118.700 -0.075 0.000 2.512 234 N HA -0.017 4.723 4.740 0.001 0.000 0.183 234 N C 0.081 175.630 175.510 0.065 0.000 1.073 234 N CA 0.230 53.275 53.050 -0.009 0.000 0.911 234 N CB 0.241 38.712 38.487 -0.028 0.000 0.964 234 N HN 0.026 8.406 8.380 -0.000 0.000 0.447 235 S N -0.154 115.583 115.700 0.062 0.000 2.563 235 S HA 0.101 4.571 4.470 0.001 0.000 0.284 235 S C 1.687 176.363 174.600 0.126 0.000 1.331 235 S CA -0.260 57.992 58.200 0.086 0.000 1.047 235 S CB 1.204 64.441 63.200 0.061 0.000 0.859 235 S HN 0.388 8.698 8.310 -0.000 0.000 0.514 236 G N 1.546 110.420 108.800 0.122 0.000 2.450 236 G HA2 -0.210 3.750 3.960 0.001 0.000 0.220 236 G HA3 -0.210 3.750 3.960 0.001 0.000 0.220 236 G C 1.384 176.458 174.900 0.289 0.000 1.130 236 G CA 0.990 46.201 45.100 0.186 0.000 0.760 236 G HN 0.786 9.076 8.290 -0.000 0.000 0.557 237 S N -0.782 115.005 115.700 0.145 0.000 2.548 237 S HA 0.291 4.761 4.470 0.001 0.000 0.215 237 S C 0.902 175.539 174.600 0.063 0.000 0.976 237 S CA -0.101 58.166 58.200 0.113 0.000 0.908 237 S CB 0.345 63.581 63.200 0.060 0.000 0.781 237 S HN 0.086 8.396 8.310 -0.000 0.000 0.519 238 K N 1.202 121.633 120.400 0.051 0.000 2.106 238 K HA 0.596 4.916 4.320 0.001 0.000 0.246 238 K C -0.406 176.177 176.600 -0.029 0.000 0.987 238 K CA -0.174 56.108 56.287 -0.007 0.000 0.904 238 K CB 1.446 33.931 32.500 -0.024 0.000 1.071 238 K HN 0.160 8.410 8.250 -0.000 0.000 0.453 239 T N -0.229 114.303 114.554 -0.038 0.000 2.883 239 T HA 0.503 4.854 4.350 0.001 0.000 0.301 239 T C -1.343 173.386 174.700 0.050 0.000 1.158 239 T CA -0.395 61.687 62.100 -0.031 0.000 1.007 239 T CB 1.399 70.251 68.868 -0.027 0.000 1.186 239 T HN 0.468 8.708 8.240 -0.000 0.000 0.499 240 T N 2.995 117.572 114.554 0.039 0.000 2.912 240 T HA 0.471 4.821 4.350 0.001 0.000 0.299 240 T C -0.356 174.297 174.700 -0.077 0.000 1.052 240 T CA -0.535 61.562 62.100 -0.006 0.000 0.996 240 T CB 1.410 70.200 68.868 -0.130 0.000 1.070 240 T HN 0.717 8.957 8.240 -0.000 0.000 0.465 241 I N 3.360 123.799 120.570 -0.219 0.000 2.906 241 I HA 0.249 4.419 4.170 0.001 0.000 0.301 241 I C 0.713 176.718 176.117 -0.187 0.000 1.221 241 I CA 0.325 61.386 61.300 -0.397 0.000 1.435 241 I CB -0.160 37.663 38.000 -0.294 0.000 1.345 241 I HN 0.803 9.013 8.210 -0.000 0.000 0.558 242 A N 8.643 131.390 122.820 -0.121 0.000 2.407 242 A HA 0.518 4.839 4.320 0.001 0.000 0.248 242 A C -2.314 175.253 177.584 -0.029 0.000 1.082 242 A CA -1.243 50.771 52.037 -0.038 0.000 0.785 242 A CB -0.577 18.440 19.000 0.028 0.000 1.020 242 A HN 0.652 8.802 8.150 -0.000 0.000 0.489 243 P HA 0.149 4.569 4.420 -0.000 0.000 0.264 243 P C -0.500 176.845 177.300 0.075 0.000 1.183 243 P CA 0.939 63.928 63.100 -0.183 0.000 0.763 243 P CB -0.091 31.370 31.700 -0.398 0.000 0.807 244 Y N -1.144 119.201 120.300 0.075 0.000 4.894 244 Y HA -0.267 4.283 4.550 0.000 0.000 0.270 244 Y C 1.113 177.189 175.900 0.294 0.000 0.930 244 Y CA 1.198 59.408 58.100 0.184 0.000 1.814 244 Y CB -2.292 36.267 38.460 0.165 0.000 1.235 244 Y HN 0.325 8.605 8.280 -0.000 0.000 0.480 245 S N 0.992 116.884 115.700 0.321 0.000 2.562 245 S HA 0.392 4.862 4.470 0.001 0.000 0.281 245 S C 0.489 175.215 174.600 0.210 0.000 1.333 245 S CA -0.559 57.851 58.200 0.351 0.000 1.052 245 S CB 0.305 63.617 63.200 0.187 0.000 0.884 245 S HN 0.274 8.584 8.310 -0.000 0.000 0.506 246 L N 4.102 125.434 121.223 0.181 0.000 2.479 246 L HA 0.268 4.608 4.340 0.001 0.000 0.270 246 L C 0.811 177.692 176.870 0.017 0.000 1.236 246 L CA -0.194 54.624 54.840 -0.037 0.000 0.823 246 L CB 0.222 42.219 42.059 -0.104 0.000 1.098 246 L HN 0.580 8.810 8.230 -0.000 0.000 0.500 247 R N 0.665 121.140 120.500 -0.042 0.000 2.589 247 R HA 0.339 4.679 4.340 0.001 0.000 0.293 247 R C -0.134 176.029 176.300 -0.228 0.000 0.963 247 R CA -0.863 55.195 56.100 -0.071 0.000 0.905 247 R CB 1.491 31.766 30.300 -0.041 0.000 1.144 247 R HN 0.727 8.997 8.270 -0.000 0.000 0.459 248 G N 3.284 111.702 108.800 -0.635 0.000 2.741 248 G HA2 0.331 4.291 3.960 0.001 0.000 0.301 248 G HA3 0.331 4.291 3.960 0.001 0.000 0.301 248 G C 0.141 174.537 174.900 -0.840 0.000 0.834 248 G CA -0.313 43.837 45.100 -1.583 0.000 1.683 248 G HN 0.571 8.861 8.290 -0.000 0.000 0.506 249 R N -0.667 119.589 120.500 -0.405 0.000 2.844 249 R HA 0.504 4.844 4.340 0.001 0.000 0.264 249 R C 0.728 177.027 176.300 -0.002 0.000 1.077 249 R CA -0.330 55.678 56.100 -0.154 0.000 0.953 249 R CB 0.121 30.386 30.300 -0.059 0.000 1.272 249 R HN -0.013 8.257 8.270 -0.000 0.000 0.447 250 T N -0.971 113.610 114.554 0.045 0.000 2.720 250 T HA -0.090 4.260 4.350 0.001 0.000 0.268 250 T C 0.142 175.065 174.700 0.372 0.000 1.037 250 T CA 1.475 63.667 62.100 0.154 0.000 1.144 250 T CB -0.373 68.562 68.868 0.112 0.000 0.864 250 T HN 0.451 8.691 8.240 -0.000 0.000 0.444 251 H N 0.670 119.759 119.070 0.032 0.000 2.533 251 H HA 0.318 4.875 4.556 0.001 0.000 0.343 251 H C -2.403 172.786 175.328 -0.232 0.000 1.160 251 H CA -2.669 53.335 56.048 -0.074 0.000 1.218 251 H CB 1.845 31.553 29.762 -0.090 0.000 1.566 251 H HN 0.104 8.384 8.280 -0.000 0.000 0.522 252 P HA -0.007 4.413 4.420 -0.000 0.000 0.230 252 P C -0.022 177.103 177.300 -0.290 0.000 1.791 252 P CA -0.252 62.368 63.100 -0.800 0.000 1.020 252 P CB -0.730 30.242 31.700 -1.214 0.000 1.977 253 T N -1.353 113.107 114.554 -0.156 0.000 2.816 253 T HA 0.485 4.835 4.350 0.001 0.000 0.282 253 T C 0.256 174.888 174.700 -0.115 0.000 0.993 253 T CA -0.577 61.459 62.100 -0.105 0.000 0.994 253 T CB 1.034 69.867 68.868 -0.058 0.000 1.025 253 T HN -0.012 8.228 8.240 -0.000 0.000 0.529 254 V N 0.178 120.042 119.914 -0.082 0.000 2.925 254 V HA 0.659 4.779 4.120 0.001 0.000 0.311 254 V C 0.186 176.264 176.094 -0.027 0.000 1.104 254 V CA -1.367 60.900 62.300 -0.056 0.000 0.954 254 V CB 1.946 33.746 31.823 -0.037 0.000 1.022 254 V HN 1.273 9.463 8.190 -0.000 0.000 0.427 255 A N 2.961 125.776 122.820 -0.008 0.000 2.655 255 A HA 0.655 4.975 4.320 0.001 0.000 0.297 255 A C 0.447 177.956 177.584 -0.125 0.000 1.461 255 A CA 0.406 52.429 52.037 -0.024 0.000 1.146 255 A CB -0.523 18.475 19.000 -0.004 0.000 1.108 255 A HN 1.306 9.456 8.150 -0.000 0.000 0.550 256 A N 5.214 127.961 122.820 -0.122 0.000 2.271 256 A HA 0.718 5.038 4.320 0.001 0.000 0.317 256 A C -2.768 174.692 177.584 -0.207 0.000 1.245 256 A CA -1.870 50.056 52.037 -0.185 0.000 0.857 256 A CB 0.534 19.482 19.000 -0.087 0.000 1.175 256 A HN 0.523 8.673 8.150 -0.000 0.000 0.512 257 P HA 0.240 4.660 4.420 -0.000 0.000 0.268 257 P C -0.442 176.783 177.300 -0.126 0.000 1.205 257 P CA 0.169 63.139 63.100 -0.215 0.000 0.771 257 P CB 0.552 32.099 31.700 -0.255 0.000 0.858 258 R N 0.672 121.097 120.500 -0.125 0.000 2.867 258 R HA 0.590 4.931 4.340 0.001 0.000 0.268 258 R C -0.040 176.170 176.300 -0.151 0.000 1.014 258 R CA -0.678 55.344 56.100 -0.130 0.000 0.946 258 R CB 0.669 30.867 30.300 -0.169 0.000 1.208 258 R HN 0.418 8.688 8.270 -0.000 0.000 0.477 259 T N -3.117 111.371 114.554 -0.111 0.000 2.918 259 T HA 0.238 4.589 4.350 0.001 0.000 0.283 259 T C 0.936 175.540 174.700 -0.160 0.000 1.001 259 T CA -0.665 61.382 62.100 -0.087 0.000 1.041 259 T CB 0.842 69.723 68.868 0.022 0.000 1.028 259 T HN 0.584 8.824 8.240 -0.000 0.000 0.511 260 W N 1.054 122.355 121.300 0.002 0.000 2.321 260 W HA -0.025 4.636 4.660 0.001 0.000 0.306 260 W C 2.810 179.323 176.519 -0.010 0.000 1.217 260 W CA 1.238 58.575 57.345 -0.014 0.000 1.257 260 W CB -0.635 28.804 29.460 -0.034 0.000 1.145 260 W HN 0.922 9.102 8.180 -0.000 0.000 0.509 261 A N 0.105 123.035 122.820 0.182 0.000 1.933 261 A HA -0.220 4.100 4.320 0.001 0.000 0.218 261 A C 1.732 179.350 177.584 0.057 0.000 1.175 261 A CA 1.787 53.888 52.037 0.107 0.000 0.628 261 A CB -0.735 18.313 19.000 0.079 0.000 0.814 261 A HN 0.397 8.547 8.150 -0.000 0.000 0.444 262 E N -0.671 119.543 120.200 0.022 0.000 2.110 262 E HA -0.176 4.174 4.350 0.001 0.000 0.193 262 E C 1.597 178.187 176.600 -0.016 0.000 0.988 262 E CA 1.069 57.463 56.400 -0.010 0.000 0.804 262 E CB -0.201 29.476 29.700 -0.039 0.000 0.745 262 E HN 0.468 8.828 8.360 -0.000 0.000 0.458 263 L N 1.091 122.303 121.223 -0.019 0.000 2.291 263 L HA -0.134 4.207 4.340 0.001 0.000 0.214 263 L C 1.612 178.504 176.870 0.036 0.000 1.120 263 L CA 1.316 56.148 54.840 -0.013 0.000 0.799 263 L CB -0.192 41.845 42.059 -0.036 0.000 0.925 263 L HN 0.023 8.253 8.230 -0.000 0.000 0.446 264 D N -0.555 119.880 120.400 0.059 0.000 2.178 264 D HA -0.145 4.495 4.640 0.001 0.000 0.201 264 D C 0.745 177.061 176.300 0.028 0.000 0.980 264 D CA 0.662 54.694 54.000 0.054 0.000 0.842 264 D CB -0.129 40.706 40.800 0.058 0.000 0.948 264 D HN 0.272 8.642 8.370 -0.000 0.000 0.472 265 D N 0.766 121.176 120.400 0.017 0.000 2.434 265 D HA -0.030 4.610 4.640 0.001 0.000 0.252 265 D C -1.307 174.995 176.300 0.003 0.000 1.185 265 D CA -1.362 52.642 54.000 0.007 0.000 0.886 265 D CB 1.587 42.386 40.800 0.000 0.000 1.148 265 D HN 0.037 8.407 8.370 -0.000 0.000 0.483 266 P HA -0.119 4.301 4.420 -0.000 0.000 0.221 266 P C 0.644 177.940 177.300 -0.006 0.000 1.145 266 P CA 0.681 63.781 63.100 -0.000 0.000 0.795 266 P CB 0.207 31.907 31.700 0.000 0.000 0.775 267 A N -0.621 122.195 122.820 -0.008 0.000 2.238 267 A HA 0.096 4.416 4.320 0.001 0.000 0.208 267 A C 0.939 178.513 177.584 -0.017 0.000 1.177 267 A CA -0.355 51.675 52.037 -0.012 0.000 0.804 267 A CB -1.159 17.834 19.000 -0.012 0.000 0.823 267 A HN 0.176 8.326 8.150 -0.000 0.000 0.482 268 L N 1.514 122.726 121.223 -0.017 0.000 2.653 268 L HA 0.147 4.487 4.340 0.001 0.000 0.288 268 L C 0.509 177.360 176.870 -0.030 0.000 1.243 268 L CA 0.983 55.808 54.840 -0.025 0.000 0.906 268 L CB -0.071 41.972 42.059 -0.026 0.000 1.154 268 L HN 0.624 8.854 8.230 -0.000 0.000 0.498 269 R N 3.010 123.489 120.500 -0.036 0.000 2.781 269 R HA 0.559 4.899 4.340 0.001 0.000 0.269 269 R C -1.258 175.016 176.300 -0.045 0.000 1.025 269 R CA -1.108 54.969 56.100 -0.039 0.000 0.914 269 R CB 0.721 30.998 30.300 -0.037 0.000 1.236 269 R HN 0.480 8.750 8.270 -0.000 0.000 0.465 270 Q N 1.109 120.882 119.800 -0.046 0.000 2.373 270 Q HA 0.294 4.634 4.340 0.001 0.000 0.255 270 Q C -0.286 175.684 176.000 -0.050 0.000 0.980 270 Q CA -0.013 55.761 55.803 -0.048 0.000 0.882 270 Q CB 0.834 29.544 28.738 -0.047 0.000 1.249 270 Q HN 0.467 8.737 8.270 -0.000 0.000 0.438 271 L N 0.461 121.652 121.223 -0.054 0.000 2.334 271 L HA 0.401 4.741 4.340 0.001 0.000 0.275 271 L C 0.652 177.475 176.870 -0.077 0.000 1.036 271 L CA -0.625 54.178 54.840 -0.061 0.000 0.807 271 L CB 1.586 43.614 42.059 -0.053 0.000 1.231 271 L HN 0.497 8.727 8.230 -0.000 0.000 0.438 272 S N -0.234 115.401 115.700 -0.109 0.000 2.632 272 S HA 0.166 4.636 4.470 0.001 0.000 0.271 272 S C 0.861 175.333 174.600 -0.213 0.000 1.260 272 S CA -0.461 57.642 58.200 -0.161 0.000 1.010 272 S CB 0.669 63.740 63.200 -0.214 0.000 0.965 272 S HN 0.520 8.830 8.310 -0.000 0.000 0.534 273 Y N 1.995 122.102 120.300 -0.322 0.000 2.193 273 Y HA -0.170 4.380 4.550 0.000 0.000 0.285 273 Y C 1.910 177.743 175.900 -0.111 0.000 1.166 273 Y CA 1.993 59.843 58.100 -0.417 0.000 1.181 273 Y CB -0.894 37.022 38.460 -0.907 0.000 0.976 273 Y HN 0.732 9.012 8.280 -0.000 0.000 0.520 274 D N 0.593 120.327 120.400 -1.110 0.000 2.144 274 D HA -0.216 4.425 4.640 0.001 0.000 0.199 274 D C 1.418 177.561 176.300 -0.262 0.000 0.984 274 D CA 1.640 55.233 54.000 -0.678 0.000 0.834 274 D CB -0.485 39.850 40.800 -0.774 0.000 0.955 274 D HN 0.687 9.057 8.370 -0.000 0.000 0.465 275 E N 0.591 120.657 120.200 -0.223 0.000 2.072 275 E HA -0.084 4.266 4.350 0.001 0.000 0.191 275 E C 2.535 179.123 176.600 -0.020 0.000 0.985 275 E CA 0.553 56.891 56.400 -0.103 0.000 0.801 275 E CB 0.091 29.733 29.700 -0.097 0.000 0.750 275 E HN 0.127 8.487 8.360 -0.000 0.000 0.452 276 V N 1.718 121.649 119.914 0.029 0.000 2.332 276 V HA -0.266 3.854 4.120 0.001 0.000 0.248 276 V C 2.312 178.503 176.094 0.162 0.000 1.055 276 V CA 1.488 63.877 62.300 0.148 0.000 1.038 276 V CB -0.450 31.542 31.823 0.282 0.000 0.651 276 V HN 0.264 8.454 8.190 -0.000 0.000 0.450 277 L N 0.451 121.764 121.223 0.150 0.000 2.017 277 L HA -0.182 4.158 4.340 0.001 0.000 0.208 277 L C 2.843 179.737 176.870 0.040 0.000 1.073 277 L CA 2.199 57.095 54.840 0.094 0.000 0.745 277 L CB -1.126 40.996 42.059 0.105 0.000 0.894 277 L HN 0.599 8.829 8.230 -0.000 0.000 0.432 278 T N -2.731 111.834 114.554 0.017 0.000 2.821 278 T HA -0.173 4.177 4.350 0.001 0.000 0.267 278 T C 1.982 176.691 174.700 0.015 0.000 1.046 278 T CA 0.770 62.872 62.100 0.004 0.000 1.139 278 T CB -0.258 68.600 68.868 -0.016 0.000 0.871 278 T HN 0.226 8.466 8.240 -0.000 0.000 0.454 279 R N 0.574 121.092 120.500 0.028 0.000 2.096 279 R HA 0.139 4.479 4.340 0.001 0.000 0.235 279 R C 2.502 178.835 176.300 0.054 0.000 1.127 279 R CA 1.574 57.698 56.100 0.040 0.000 0.968 279 R CB -0.620 29.709 30.300 0.049 0.000 0.861 279 R HN 0.434 8.704 8.270 -0.000 0.000 0.440 280 I N 0.441 121.051 120.570 0.066 0.000 2.226 280 I HA -0.282 3.888 4.170 0.001 0.000 0.245 280 I C 2.564 178.693 176.117 0.020 0.000 1.100 280 I CA 1.306 62.636 61.300 0.049 0.000 1.374 280 I CB -0.391 37.615 38.000 0.010 0.000 1.057 280 I HN 0.213 8.423 8.210 -0.000 0.000 0.413 281 A N 0.552 123.379 122.820 0.012 0.000 1.908 281 A HA -0.258 4.063 4.320 0.001 0.000 0.218 281 A C 2.447 180.037 177.584 0.010 0.000 1.181 281 A CA 1.860 53.900 52.037 0.005 0.000 0.627 281 A CB -0.628 18.373 19.000 0.001 0.000 0.818 281 A HN 0.355 8.505 8.150 -0.000 0.000 0.445 282 R N -0.979 119.530 120.500 0.016 0.000 2.062 282 R HA -0.100 4.241 4.340 0.001 0.000 0.229 282 R C 0.525 176.839 176.300 0.023 0.000 1.128 282 R CA 1.755 57.865 56.100 0.017 0.000 0.960 282 R CB -0.010 30.299 30.300 0.016 0.000 0.855 282 R HN 0.456 8.726 8.270 -0.000 0.000 0.432 283 D N -1.434 118.985 120.400 0.032 0.000 2.500 283 D HA 0.186 4.826 4.640 0.001 0.000 0.218 283 D C 0.769 177.097 176.300 0.047 0.000 1.140 283 D CA 0.775 54.799 54.000 0.041 0.000 0.830 283 D CB 1.113 41.942 40.800 0.048 0.000 1.055 283 D HN 0.410 8.780 8.370 -0.000 0.000 0.512 284 G N 1.920 110.744 108.800 0.040 0.000 2.575 284 G HA2 -0.277 3.684 3.960 0.001 0.000 0.267 284 G HA3 -0.277 3.684 3.960 0.001 0.000 0.267 284 G C -0.352 174.594 174.900 0.076 0.000 1.264 284 G CA -0.033 45.090 45.100 0.039 0.000 0.935 284 G HN 0.271 8.561 8.290 -0.000 0.000 0.568 285 D N 0.615 121.066 120.400 0.084 0.000 2.316 285 D HA 0.450 5.090 4.640 0.001 0.000 0.245 285 D C 1.813 178.186 176.300 0.122 0.000 1.171 285 D CA -0.369 53.726 54.000 0.157 0.000 0.856 285 D CB 0.518 41.413 40.800 0.158 0.000 1.090 285 D HN 0.402 8.772 8.370 -0.000 0.000 0.476 286 L N 3.223 124.517 121.223 0.117 0.000 2.362 286 L HA -0.044 4.296 4.340 0.001 0.000 0.219 286 L C 1.688 178.570 176.870 0.020 0.000 1.134 286 L CA 0.560 55.453 54.840 0.089 0.000 0.807 286 L CB -0.091 42.015 42.059 0.078 0.000 0.927 286 L HN 0.494 8.724 8.230 -0.000 0.000 0.447 287 L N -0.648 120.519 121.223 -0.094 0.000 2.653 287 L HA 0.036 4.377 4.340 0.001 0.000 0.231 287 L C 2.137 178.890 176.870 -0.194 0.000 1.153 287 L CA -0.204 54.400 54.840 -0.394 0.000 0.933 287 L CB -0.182 41.501 42.059 -0.628 0.000 1.175 287 L HN 0.183 8.413 8.230 -0.000 0.000 0.473 288 E N 1.792 121.979 120.200 -0.021 0.000 2.147 288 E HA -0.246 4.105 4.350 0.001 0.000 0.199 288 E C 1.690 178.288 176.600 -0.004 0.000 1.005 288 E CA 1.589 58.013 56.400 0.039 0.000 0.810 288 E CB 0.161 29.888 29.700 0.044 0.000 0.736 288 E HN 0.481 8.841 8.360 -0.000 0.000 0.460 289 R N -0.223 120.229 120.500 -0.080 0.000 2.310 289 R HA 0.030 4.370 4.340 0.001 0.000 0.202 289 R C 2.120 178.358 176.300 -0.103 0.000 0.933 289 R CA -0.114 55.971 56.100 -0.025 0.000 1.054 289 R CB -0.019 30.364 30.300 0.139 0.000 0.985 289 R HN 0.068 8.338 8.270 -0.000 0.000 0.489 290 L N 0.272 121.314 121.223 -0.301 0.000 2.093 290 L HA 0.003 4.343 4.340 0.001 0.000 0.208 290 L C 0.202 177.072 176.870 0.001 0.000 1.085 290 L CA 1.788 56.493 54.840 -0.225 0.000 0.755 290 L CB 0.087 41.891 42.059 -0.425 0.000 0.904 290 L HN 0.030 8.261 8.230 -0.000 0.000 0.435 291 D N 0.000 120.431 120.400 0.052 0.000 6.856 291 D HA 0.000 4.640 4.640 0.001 0.000 0.175 291 D CA 0.000 54.029 54.000 0.049 0.000 0.868 291 D CB 0.000 40.831 40.800 0.051 0.000 0.688 291 D HN 0.000 8.370 8.370 -0.000 0.000 0.683