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 2jxm_1_B DATA FIRST_RESID 1 DATA SEQUENCE YPFYAQYNYD SPREATGKIV CANCHLAKKT VEIEVPQAVL PDTVFKAVVK DATA SEQUENCE VPYDLDIQQV QADGSPSGLN VGAVLMLPEG FKLAPPERVD EELMEEVGDF DATA SEQUENCE YYLVTPYSET DENILLAGPL PGEDYQEMIF PILSPNPATD AGVYFGKYSI DATA SEQUENCE HLGGNRGRGQ VYPTGELSNN NAFSASIAGT IAAIEDNGFG FDVTIQPEDG DATA SEQUENCE DAVVTSILPG PELIVAVGDT VEAGQLLTTN PNVGGFGQMD SEIVLQSSS 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 1 Y HA 0.000 4.708 4.550 0.264 0.000 0.201 1 Y C 0.000 176.035 175.900 0.226 0.000 1.272 1 Y CA 0.000 58.315 58.100 0.359 0.000 1.940 1 Y CB 0.000 38.588 38.460 0.213 0.000 1.050 2 P HA -0.032 4.498 4.420 0.183 0.000 0.220 2 P C 0.684 178.045 177.300 0.101 0.000 1.148 2 P CA 1.752 64.960 63.100 0.180 0.000 0.803 2 P CB 0.512 32.284 31.700 0.120 0.000 0.782 3 F N -2.090 117.838 119.950 -0.037 0.000 2.134 3 F HA -0.339 4.080 4.527 -0.181 0.000 0.299 3 F C 0.347 176.098 175.800 -0.082 0.000 1.097 3 F CA 3.217 61.115 58.000 -0.169 0.000 1.264 3 F CB -0.388 38.417 39.000 -0.324 0.000 1.001 3 F HN -0.121 8.306 8.300 0.263 0.030 0.479 4 Y N -1.684 118.357 120.300 -0.433 0.000 2.224 4 Y HA -0.381 3.586 4.550 -0.971 0.000 0.289 4 Y C 2.175 177.950 175.900 -0.208 0.000 1.146 4 Y CA 2.733 60.543 58.100 -0.483 0.000 1.182 4 Y CB -1.218 37.190 38.460 -0.086 0.000 0.983 4 Y HN -0.794 7.306 8.280 -0.119 0.109 0.524 5 A N -1.554 121.329 122.820 0.105 0.000 1.902 5 A HA -0.440 4.051 4.320 0.285 0.000 0.217 5 A C 1.685 179.379 177.584 0.183 0.000 1.181 5 A CA 3.322 55.483 52.037 0.207 0.000 0.623 5 A CB -1.064 18.083 19.000 0.244 0.000 0.818 5 A HN -0.334 7.798 8.150 0.127 0.094 0.443 6 Q N -1.552 118.188 119.800 -0.099 0.000 2.084 6 Q HA -0.347 3.788 4.340 -0.342 0.000 0.202 6 Q C 2.439 178.426 176.000 -0.021 0.000 0.978 6 Q CA 2.931 58.575 55.803 -0.267 0.000 0.844 6 Q CB 0.060 28.517 28.738 -0.469 0.000 0.898 6 Q HN -0.526 7.558 8.270 -0.168 0.085 0.426 7 Y N -1.804 118.322 120.300 -0.290 0.000 2.200 7 Y HA -0.262 4.210 4.550 -0.131 0.000 0.290 7 Y C 1.025 176.840 175.900 -0.141 0.000 1.137 7 Y CA 1.820 59.795 58.100 -0.208 0.000 1.163 7 Y CB 0.047 38.323 38.460 -0.306 0.000 0.988 7 Y HN -0.357 7.761 8.280 -0.270 0.000 0.518 8 N N -2.544 116.141 118.700 -0.025 0.000 2.171 8 N HA -0.164 4.330 4.740 -0.411 0.000 0.184 8 N C -0.393 174.797 175.510 -0.533 0.000 1.021 8 N CA 2.519 55.389 53.050 -0.299 0.000 0.854 8 N CB 1.032 39.415 38.487 -0.175 0.000 0.994 8 N HN -0.544 7.867 8.380 0.051 0.000 0.426 9 Y N -2.714 117.633 120.300 0.078 0.000 2.373 9 Y HA 0.028 4.606 4.550 0.046 0.000 0.336 9 Y C -1.176 174.830 175.900 0.176 0.000 0.979 9 Y CA -0.520 57.634 58.100 0.090 0.000 1.080 9 Y CB 2.109 40.608 38.460 0.065 0.000 1.190 9 Y HN 0.036 8.507 8.280 0.319 0.000 0.446 10 D N 2.117 122.655 120.400 0.229 0.000 2.117 10 D HA -0.260 4.553 4.640 0.289 0.000 0.198 10 D C -0.510 175.904 176.300 0.190 0.000 0.982 10 D CA 1.872 56.006 54.000 0.225 0.000 0.828 10 D CB 0.821 41.696 40.800 0.124 0.000 0.967 10 D HN 0.433 8.890 8.370 0.145 0.000 0.464 11 S N -4.781 110.986 115.700 0.111 0.000 2.456 11 S HA 0.299 4.685 4.470 -0.140 0.000 0.316 11 S C -1.275 173.279 174.600 -0.077 0.000 1.089 11 S CA -3.048 55.129 58.200 -0.038 0.000 1.101 11 S CB 0.940 64.126 63.200 -0.023 0.000 0.995 11 S HN -0.424 7.984 8.310 0.163 0.000 0.468 12 P HA -0.049 4.285 4.420 -0.142 0.000 0.233 12 P C -1.613 175.572 177.300 -0.191 0.000 1.167 12 P CA 0.961 63.912 63.100 -0.248 0.000 0.770 12 P CB 0.554 31.992 31.700 -0.437 0.000 0.837 13 R N -1.627 118.771 120.500 -0.170 0.000 2.437 13 R HA 0.267 4.629 4.340 -0.148 -0.111 0.310 13 R C -0.755 175.467 176.300 -0.130 0.000 0.955 13 R CA -1.232 54.775 56.100 -0.155 0.000 0.851 13 R CB 2.222 32.412 30.300 -0.182 0.000 1.161 13 R HN -0.474 7.646 8.270 -0.170 0.048 0.446 14 E N 6.750 126.875 120.200 -0.125 0.000 2.369 14 E HA 0.081 4.387 4.350 -0.073 0.000 0.255 14 E C 1.199 177.750 176.600 -0.081 0.000 1.172 14 E CA -0.159 56.185 56.400 -0.092 0.000 0.932 14 E CB 1.172 30.816 29.700 -0.092 0.000 1.040 14 E HN 0.495 8.664 8.360 -0.134 0.110 0.454 15 A N 1.803 124.591 122.820 -0.053 0.000 1.940 15 A HA -0.282 4.010 4.320 -0.046 0.000 0.219 15 A C 1.568 179.123 177.584 -0.049 0.000 1.176 15 A CA 3.117 55.128 52.037 -0.044 0.000 0.631 15 A CB -0.604 18.381 19.000 -0.025 0.000 0.814 15 A HN 0.605 8.730 8.150 -0.041 0.000 0.446 16 T N -6.691 107.835 114.554 -0.047 0.000 2.881 16 T HA -0.241 4.090 4.350 -0.031 0.000 0.270 16 T C 1.433 176.099 174.700 -0.057 0.000 1.068 16 T CA 1.466 63.541 62.100 -0.042 0.000 1.131 16 T CB 0.039 68.886 68.868 -0.035 0.000 0.871 16 T HN 0.027 8.225 8.240 -0.046 0.015 0.479 17 G N 1.272 110.019 108.800 -0.089 0.000 2.184 17 G HA2 -0.302 3.572 3.960 -0.207 0.000 0.206 17 G HA3 -0.302 3.588 3.960 -0.117 0.000 0.206 17 G C -1.240 173.598 174.900 -0.102 0.000 0.995 17 G CA -0.462 44.557 45.100 -0.135 0.000 0.651 17 G HN -0.171 7.890 8.290 -0.089 0.176 0.511 18 K N 1.605 121.965 120.400 -0.067 0.000 2.350 18 K HA 0.105 4.427 4.320 0.004 0.000 0.279 18 K C -0.993 175.572 176.600 -0.059 0.000 1.027 18 K CA -0.283 55.983 56.287 -0.035 0.000 0.969 18 K CB 0.887 33.365 32.500 -0.036 0.000 0.954 18 K HN -0.304 7.841 8.250 -0.067 0.065 0.474 19 I N 4.242 124.819 120.570 0.012 0.000 2.428 19 I HA 0.201 4.495 4.170 -0.078 -0.171 0.289 19 I C 1.824 177.841 176.117 -0.167 0.000 1.019 19 I CA -1.479 59.810 61.300 -0.019 0.000 1.351 19 I CB 0.037 38.153 38.000 0.192 0.000 1.412 19 I HN 0.234 8.589 8.210 0.107 -0.080 0.513 20 V N 6.705 126.455 119.914 -0.274 0.000 2.568 20 V HA -0.338 3.484 4.120 -0.496 0.000 0.253 20 V C 2.209 178.069 176.094 -0.390 0.000 1.072 20 V CA 3.523 65.561 62.300 -0.437 0.000 1.084 20 V CB -1.069 30.407 31.823 -0.578 0.000 0.676 20 V HN 0.473 8.528 8.190 -0.225 0.000 0.469 21 C N -0.841 118.172 119.300 -0.478 0.000 2.410 21 C HA -0.376 3.922 4.460 -0.269 0.000 0.281 21 C C 1.810 176.481 174.990 -0.532 0.000 1.318 21 C CA 3.720 62.391 59.018 -0.579 0.000 1.776 21 C CB -2.797 24.236 27.740 -1.178 0.000 1.942 21 C HN 0.233 8.146 8.230 -0.464 0.039 0.508 22 A N 0.256 122.756 122.820 -0.533 0.000 2.024 22 A HA -0.232 4.164 4.320 -0.140 -0.160 0.220 22 A C 1.237 178.739 177.584 -0.137 0.000 1.164 22 A CA 2.981 54.889 52.037 -0.215 0.000 0.643 22 A CB -0.568 18.399 19.000 -0.055 0.000 0.806 22 A HN 0.046 7.821 8.150 -0.559 0.040 0.451 23 N N -2.377 116.219 118.700 -0.172 0.000 2.104 23 N HA -0.266 4.414 4.740 -0.100 0.000 0.190 23 N C 1.519 176.960 175.510 -0.114 0.000 1.024 23 N CA 2.713 55.690 53.050 -0.121 0.000 0.853 23 N CB -0.032 38.392 38.487 -0.105 0.000 1.008 23 N HN -0.050 8.040 8.380 -0.237 0.149 0.424 24 C N 0.587 119.808 119.300 -0.132 0.000 2.505 24 C HA -0.028 4.310 4.460 -0.203 0.000 0.279 24 C C -0.151 174.669 174.990 -0.283 0.000 1.316 24 C CA 0.673 59.567 59.018 -0.207 0.000 1.720 24 C CB 0.718 28.311 27.740 -0.244 0.000 2.050 24 C HN -0.447 7.708 8.230 -0.124 0.000 0.493 25 H N 2.339 121.338 119.070 -0.118 0.000 2.787 25 H HA 0.458 5.172 4.556 -0.042 -0.183 0.275 25 H C 1.213 176.530 175.328 -0.017 0.000 1.183 25 H CA -0.219 55.797 56.048 -0.054 0.000 1.290 25 H CB -1.196 28.557 29.762 -0.015 0.000 1.438 25 H HN 0.017 8.290 8.280 -0.011 0.000 0.487 26 L N 3.319 124.559 121.223 0.029 0.000 2.093 26 L HA -0.093 4.253 4.340 0.010 0.000 0.208 26 L C 0.269 177.174 176.870 0.059 0.000 1.085 26 L CA 2.157 57.007 54.840 0.017 0.000 0.755 26 L CB 0.345 42.382 42.059 -0.036 0.000 0.904 26 L HN 0.367 9.011 8.230 -0.032 -0.433 0.435 27 A N -2.679 120.192 122.820 0.084 0.000 2.302 27 A HA 0.151 4.503 4.320 0.053 0.000 0.285 27 A C -2.022 175.627 177.584 0.108 0.000 1.105 27 A CA -0.926 51.157 52.037 0.077 0.000 0.816 27 A CB 1.428 20.466 19.000 0.064 0.000 1.067 27 A HN -0.291 7.917 8.150 0.098 0.000 0.489 28 K N 0.162 120.606 120.400 0.073 0.000 2.159 28 K HA 0.823 5.467 4.320 0.088 -0.271 0.266 28 K C -0.920 175.703 176.600 0.037 0.000 0.975 28 K CA -1.482 54.842 56.287 0.062 0.000 0.865 28 K CB 1.504 34.028 32.500 0.040 0.000 1.087 28 K HN 0.099 8.381 8.250 0.054 0.000 0.446 29 K N 3.154 123.561 120.400 0.011 0.000 2.509 29 K HA 0.271 4.600 4.320 0.015 0.000 0.266 29 K C -1.689 174.887 176.600 -0.040 0.000 0.987 29 K CA -1.509 54.780 56.287 0.004 0.000 0.868 29 K CB 4.375 36.893 32.500 0.031 0.000 1.421 29 K HN 0.018 8.149 8.250 -0.009 0.113 0.444 30 T N 0.250 114.790 114.554 -0.023 0.000 2.898 30 T HA -0.023 4.293 4.350 -0.056 0.000 0.301 30 T C -0.955 173.706 174.700 -0.065 0.000 1.049 30 T CA -0.150 61.925 62.100 -0.041 0.000 1.095 30 T CB 0.637 69.494 68.868 -0.018 0.000 0.976 30 T HN 0.345 8.587 8.240 0.003 0.000 0.539 31 V N -0.226 119.640 119.914 -0.082 0.000 2.760 31 V HA 0.645 4.727 4.120 -0.063 0.000 0.309 31 V C -1.756 174.310 176.094 -0.046 0.000 1.077 31 V CA -2.385 59.866 62.300 -0.083 0.000 0.910 31 V CB 3.583 35.316 31.823 -0.149 0.000 1.008 31 V HN -0.031 8.114 8.190 -0.075 0.000 0.424 32 E N 3.395 123.580 120.200 -0.025 0.000 2.266 32 E HA 0.445 4.786 4.350 -0.015 0.000 0.268 32 E C -1.825 174.773 176.600 -0.003 0.000 0.879 32 E CA -1.280 55.112 56.400 -0.014 0.000 0.762 32 E CB 4.316 34.010 29.700 -0.011 0.000 1.199 32 E HN 0.029 8.377 8.360 -0.020 0.000 0.422 33 I N 2.554 123.127 120.570 0.005 0.000 2.656 33 I HA 0.847 5.284 4.170 0.015 -0.258 0.292 33 I C -1.580 174.549 176.117 0.021 0.000 1.144 33 I CA -1.855 59.457 61.300 0.020 0.000 1.038 33 I CB 3.498 41.523 38.000 0.041 0.000 1.244 33 I HN 0.465 8.676 8.210 0.002 0.000 0.420 34 E N 7.845 128.063 120.200 0.029 0.000 2.248 34 E HA 0.531 4.897 4.350 0.027 0.000 0.267 34 E C -2.022 174.622 176.600 0.072 0.000 0.877 34 E CA -1.294 55.127 56.400 0.035 0.000 0.759 34 E CB 3.641 33.355 29.700 0.023 0.000 1.182 34 E HN 0.421 8.796 8.360 0.026 0.000 0.418 35 V N -0.122 119.835 119.914 0.072 0.000 3.181 35 V HA 0.764 5.159 4.120 0.196 -0.157 0.308 35 V C -2.324 173.794 176.094 0.040 0.000 1.214 35 V CA -3.819 58.552 62.300 0.119 0.000 1.053 35 V CB 1.536 33.442 31.823 0.138 0.000 1.069 35 V HN 0.172 8.387 8.190 0.040 0.000 0.441 36 P HA 0.126 4.542 4.420 -0.005 0.000 0.272 36 P C -0.154 177.095 177.300 -0.084 0.000 1.230 36 P CA -0.799 62.277 63.100 -0.039 0.000 0.788 36 P CB 0.852 32.523 31.700 -0.048 0.000 0.949 37 Q N -1.550 118.216 119.800 -0.057 0.000 2.050 37 Q HA -0.317 3.992 4.340 -0.051 0.000 0.202 37 Q C 0.554 176.508 176.000 -0.075 0.000 0.980 37 Q CA 2.798 58.568 55.803 -0.056 0.000 0.840 37 Q CB 0.443 29.159 28.738 -0.037 0.000 0.898 37 Q HN 0.277 8.525 8.270 -0.037 0.000 0.424 38 A N -4.377 118.395 122.820 -0.080 0.000 2.587 38 A HA 0.624 5.116 4.320 -0.076 -0.218 0.293 38 A C -1.899 175.628 177.584 -0.095 0.000 1.087 38 A CA -1.427 50.566 52.037 -0.072 0.000 0.692 38 A CB 3.383 22.364 19.000 -0.031 0.000 1.291 38 A HN -0.697 7.410 8.150 -0.071 0.000 0.407 39 V N -5.120 114.755 119.914 -0.066 0.000 2.971 39 V HA 0.505 4.606 4.120 -0.032 0.000 0.309 39 V C -2.114 174.015 176.094 0.059 0.000 1.130 39 V CA -2.148 60.126 62.300 -0.043 0.000 0.964 39 V CB 3.684 35.416 31.823 -0.152 0.000 1.029 39 V HN 0.642 8.823 8.190 -0.016 0.000 0.427 40 L N 3.275 124.542 121.223 0.075 0.000 2.439 40 L HA 0.529 4.935 4.340 0.109 0.000 0.261 40 L C -0.166 176.782 176.870 0.131 0.000 1.153 40 L CA -1.907 52.993 54.840 0.099 0.000 0.808 40 L CB -1.062 41.036 42.059 0.066 0.000 1.126 40 L HN 0.251 8.520 8.230 0.066 0.000 0.460 41 P HA -0.251 4.308 4.420 0.106 -0.075 0.212 41 P C 0.115 177.436 177.300 0.035 0.000 0.907 41 P CA 1.729 64.910 63.100 0.136 0.000 0.993 41 P CB 0.355 32.177 31.700 0.204 0.000 0.646 42 D N 0.882 121.295 120.400 0.021 0.000 2.558 42 D HA 0.079 4.944 4.640 -0.042 -0.251 0.221 42 D C -0.344 175.973 176.300 0.028 0.000 1.143 42 D CA -0.202 53.794 54.000 -0.007 0.000 1.010 42 D CB -1.470 39.318 40.800 -0.019 0.000 1.068 42 D HN 0.038 8.431 8.370 0.038 0.000 0.511 43 T N 1.465 116.060 114.554 0.068 0.000 2.901 43 T HA 0.250 4.641 4.350 0.068 0.000 0.293 43 T C -2.172 172.626 174.700 0.163 0.000 1.084 43 T CA -1.981 60.182 62.100 0.104 0.000 1.008 43 T CB 1.835 70.779 68.868 0.127 0.000 1.170 43 T HN 0.114 8.368 8.240 0.075 0.031 0.509 44 V N 3.371 123.366 119.914 0.135 0.000 2.483 44 V HA 0.919 5.347 4.120 0.074 -0.264 0.295 44 V C -0.452 175.762 176.094 0.200 0.000 1.035 44 V CA -1.904 60.456 62.300 0.100 0.000 0.896 44 V CB 1.579 33.403 31.823 0.002 0.000 0.986 44 V HN 0.240 8.492 8.190 0.103 0.000 0.447 45 F N 3.109 123.104 119.950 0.074 0.000 2.664 45 F HA 0.425 4.986 4.527 0.057 0.000 0.317 45 F C -2.999 172.850 175.800 0.082 0.000 1.108 45 F CA -2.632 55.412 58.000 0.075 0.000 0.957 45 F CB 1.974 41.026 39.000 0.088 0.000 1.365 45 F HN 0.883 8.874 8.300 -0.342 0.104 0.475 46 K N -0.689 119.808 120.400 0.162 0.000 2.182 46 K HA 0.688 5.144 4.320 -0.084 -0.187 0.262 46 K C -0.828 175.864 176.600 0.153 0.000 0.957 46 K CA -1.362 54.952 56.287 0.045 0.000 0.842 46 K CB 1.431 33.966 32.500 0.059 0.000 1.099 46 K HN 0.160 8.604 8.250 0.323 0.000 0.438 47 A N 3.913 126.773 122.820 0.067 0.000 2.287 47 A HA 0.710 5.304 4.320 0.204 -0.151 0.317 47 A C -1.971 175.603 177.584 -0.015 0.000 1.220 47 A CA -1.829 50.288 52.037 0.132 0.000 0.835 47 A CB 2.218 21.357 19.000 0.232 0.000 1.180 47 A HN 0.625 8.777 8.150 0.004 0.000 0.500 48 V N 5.943 125.848 119.914 -0.016 0.000 2.394 48 V HA 0.270 4.406 4.120 -0.170 -0.117 0.282 48 V C -1.386 174.652 176.094 -0.094 0.000 1.031 48 V CA -0.485 61.761 62.300 -0.090 0.000 0.881 48 V CB 1.791 33.592 31.823 -0.037 0.000 0.982 48 V HN 0.775 8.989 8.190 0.041 0.000 0.451 49 V N 8.552 128.358 119.914 -0.180 0.000 2.555 49 V HA 0.731 5.027 4.120 -0.041 -0.200 0.302 49 V C -1.203 174.853 176.094 -0.065 0.000 1.038 49 V CA -2.514 59.723 62.300 -0.106 0.000 0.887 49 V CB 2.582 34.327 31.823 -0.129 0.000 0.991 49 V HN 0.759 8.784 8.190 -0.276 0.000 0.434 50 K N 5.085 125.473 120.400 -0.020 0.000 2.422 50 K HA 0.531 4.856 4.320 0.008 0.000 0.251 50 K C -2.207 174.403 176.600 0.017 0.000 0.933 50 K CA -1.349 54.938 56.287 -0.000 0.000 0.798 50 K CB 4.426 36.922 32.500 -0.007 0.000 1.238 50 K HN 0.540 8.781 8.250 -0.014 0.000 0.428 51 V N 3.679 123.624 119.914 0.052 0.000 2.380 51 V HA 0.601 4.745 4.120 0.040 0.000 0.272 51 V C -2.696 173.479 176.094 0.136 0.000 1.011 51 V CA -4.330 58.018 62.300 0.079 0.000 0.826 51 V CB 2.474 34.358 31.823 0.101 0.000 1.040 51 V HN 0.596 8.824 8.190 0.063 0.000 0.441 52 P HA 0.186 4.595 4.420 -0.019 0.000 0.279 52 P C -2.379 175.021 177.300 0.166 0.000 1.239 52 P CA -0.232 62.900 63.100 0.054 0.000 0.789 52 P CB 0.450 32.150 31.700 -0.000 0.000 0.933 53 Y N -2.882 117.428 120.300 0.016 0.000 2.677 53 Y HA 0.193 4.753 4.550 0.016 0.000 0.334 53 Y C -2.277 173.634 175.900 0.020 0.000 1.196 53 Y CA -2.071 56.040 58.100 0.020 0.000 1.059 53 Y CB 1.323 39.801 38.460 0.029 0.000 1.315 53 Y HN -0.499 7.584 8.280 -0.328 0.000 0.455 54 D N 1.010 121.477 120.400 0.112 0.000 2.325 54 D HA 0.159 4.745 4.640 -0.089 0.000 0.251 54 D C 0.627 176.965 176.300 0.063 0.000 1.196 54 D CA -0.402 53.606 54.000 0.013 0.000 0.866 54 D CB 0.229 41.065 40.800 0.060 0.000 1.101 54 D HN 0.303 8.817 8.370 0.239 0.000 0.476 55 L N 5.300 126.451 121.223 -0.120 0.000 2.191 55 L HA -0.209 4.205 4.340 0.122 0.000 0.212 55 L C 0.885 177.809 176.870 0.089 0.000 1.103 55 L CA 1.360 56.189 54.840 -0.018 0.000 0.769 55 L CB -0.601 41.403 42.059 -0.093 0.000 0.908 55 L HN 0.561 8.677 8.230 -0.191 0.000 0.438 56 D N -3.419 117.012 120.400 0.053 0.000 2.219 56 D HA -0.136 4.533 4.640 0.049 0.000 0.205 56 D C 0.417 176.763 176.300 0.077 0.000 0.970 56 D CA 2.289 56.321 54.000 0.054 0.000 0.851 56 D CB 0.904 41.724 40.800 0.033 0.000 0.943 56 D HN -0.375 8.321 8.370 0.022 -0.313 0.488 57 I N -0.059 120.577 120.570 0.110 0.000 2.365 57 I HA -0.008 4.205 4.170 0.071 0.000 0.291 57 I C -1.853 174.327 176.117 0.104 0.000 1.004 57 I CA -0.539 60.820 61.300 0.098 0.000 1.311 57 I CB 0.883 38.942 38.000 0.098 0.000 1.401 57 I HN -0.681 7.464 8.210 0.137 0.147 0.491 58 Q N 5.788 125.629 119.800 0.069 0.000 2.205 58 Q HA 0.193 4.645 4.340 0.064 -0.073 0.249 58 Q C -1.355 174.666 176.000 0.036 0.000 0.948 58 Q CA -0.620 55.216 55.803 0.054 0.000 0.895 58 Q CB 1.764 30.528 28.738 0.044 0.000 1.249 58 Q HN 0.133 8.437 8.270 0.058 0.000 0.458 59 Q N 0.824 120.638 119.800 0.023 0.000 2.351 59 Q HA 0.324 4.673 4.340 0.015 0.000 0.273 59 Q C -1.649 174.359 176.000 0.013 0.000 1.077 59 Q CA -1.788 54.023 55.803 0.013 0.000 0.843 59 Q CB 4.430 33.168 28.738 -0.001 0.000 1.367 59 Q HN 0.509 8.795 8.270 0.026 0.000 0.449 60 V N 4.313 124.233 119.914 0.009 0.000 2.555 60 V HA -0.151 4.077 4.120 -0.004 -0.111 0.286 60 V C -0.789 175.307 176.094 0.004 0.000 1.044 60 V CA 1.457 63.757 62.300 0.000 0.000 1.026 60 V CB -0.016 31.803 31.823 -0.006 0.000 0.981 60 V HN 0.671 8.867 8.190 0.010 0.000 0.480 61 Q N 7.156 126.957 119.800 0.000 0.000 2.293 61 Q HA 0.170 4.521 4.340 0.019 0.000 0.216 61 Q C 0.188 176.185 176.000 -0.005 0.000 1.003 61 Q CA -1.328 54.480 55.803 0.010 0.000 0.995 61 Q CB 2.008 30.758 28.738 0.021 0.000 1.172 61 Q HN 0.588 8.854 8.270 -0.006 0.000 0.518 62 A N -0.505 122.319 122.820 0.006 0.000 1.940 62 A HA -0.243 4.068 4.320 -0.014 0.000 0.219 62 A C 0.736 178.307 177.584 -0.022 0.000 1.176 62 A CA 2.836 54.870 52.037 -0.006 0.000 0.631 62 A CB -0.864 18.142 19.000 0.009 0.000 0.814 62 A HN 0.492 8.655 8.150 0.022 0.000 0.446 63 D N -4.450 115.944 120.400 -0.009 0.000 2.312 63 D HA -0.131 4.512 4.640 0.005 0.000 0.211 63 D C 0.816 177.075 176.300 -0.069 0.000 0.964 63 D CA 0.175 54.170 54.000 -0.010 0.000 0.877 63 D CB -0.102 40.710 40.800 0.021 0.000 0.924 63 D HN -0.014 8.349 8.370 0.004 0.010 0.515 64 G N -1.233 107.517 108.800 -0.083 0.000 2.218 64 G HA2 -0.293 3.587 3.960 -0.132 0.000 0.216 64 G HA3 -0.293 3.554 3.960 -0.187 0.000 0.216 64 G C -0.512 174.349 174.900 -0.065 0.000 0.994 64 G CA -0.320 44.706 45.100 -0.123 0.000 0.637 64 G HN -0.300 7.786 8.290 -0.053 0.173 0.505 65 S N 2.772 118.454 115.700 -0.030 0.000 2.632 65 S HA 0.331 4.794 4.470 -0.011 0.000 0.267 65 S C -2.128 172.471 174.600 -0.001 0.000 1.276 65 S CA -1.372 56.822 58.200 -0.009 0.000 0.998 65 S CB 0.348 63.552 63.200 0.006 0.000 0.953 65 S HN -0.637 7.737 8.310 -0.024 -0.079 0.547 66 P HA 0.679 5.355 4.420 0.013 -0.248 0.282 66 P C -0.701 176.613 177.300 0.023 0.000 1.249 66 P CA -1.173 61.936 63.100 0.015 0.000 0.806 66 P CB 1.009 32.719 31.700 0.017 0.000 0.984 67 S N -0.078 115.639 115.700 0.029 0.000 2.703 67 S HA 0.184 4.677 4.470 0.039 0.000 0.273 67 S C -1.586 173.040 174.600 0.043 0.000 1.178 67 S CA -0.929 57.294 58.200 0.037 0.000 0.838 67 S CB 1.615 64.838 63.200 0.037 0.000 1.178 67 S HN 0.339 8.664 8.310 0.027 0.000 0.494 68 G N -0.733 108.100 108.800 0.054 0.000 2.616 68 G HA2 0.187 4.194 3.960 0.079 0.000 0.268 68 G HA3 0.187 4.197 3.960 0.083 0.000 0.268 68 G C -1.359 173.563 174.900 0.036 0.000 1.213 68 G CA -0.595 44.545 45.100 0.067 0.000 0.926 68 G HN -0.051 8.272 8.290 0.055 0.000 0.523 69 L N -1.212 120.011 121.223 -0.001 0.000 2.334 69 L HA 0.194 4.504 4.340 -0.050 0.000 0.272 69 L C -0.585 176.270 176.870 -0.025 0.000 1.020 69 L CA -1.025 53.757 54.840 -0.096 0.000 0.812 69 L CB 2.098 43.900 42.059 -0.428 0.000 1.264 69 L HN 0.234 8.491 8.230 0.046 0.000 0.439 70 N N -0.089 118.613 118.700 0.004 0.000 2.404 70 N HA 0.667 5.568 4.740 0.088 -0.108 0.297 70 N C -1.278 174.260 175.510 0.047 0.000 1.163 70 N CA -0.501 52.589 53.050 0.066 0.000 0.864 70 N CB 3.772 42.331 38.487 0.119 0.000 1.247 70 N HN 0.110 8.490 8.380 0.000 0.000 0.510 71 V N -5.802 114.158 119.914 0.077 0.000 3.074 71 V HA 0.989 5.279 4.120 0.046 -0.143 0.314 71 V C -1.767 174.370 176.094 0.071 0.000 1.117 71 V CA -3.526 58.817 62.300 0.072 0.000 1.014 71 V CB 3.552 35.443 31.823 0.113 0.000 1.057 71 V HN 0.834 8.972 8.190 0.089 0.106 0.438 72 G N -1.789 107.058 108.800 0.079 0.000 2.576 72 G HA2 0.672 4.739 3.960 0.061 0.000 0.290 72 G HA3 0.672 4.693 3.960 0.101 0.000 0.290 72 G C -3.402 171.574 174.900 0.126 0.000 1.442 72 G CA 0.086 45.239 45.100 0.089 0.000 0.792 72 G HN 0.145 8.482 8.290 0.079 0.000 0.491 73 A N -2.194 120.712 122.820 0.145 0.000 2.601 73 A HA 0.841 5.400 4.320 0.227 -0.103 0.291 73 A C -3.173 174.506 177.584 0.158 0.000 1.075 73 A CA -0.519 51.629 52.037 0.184 0.000 0.671 73 A CB 4.279 23.400 19.000 0.202 0.000 1.277 73 A HN 0.517 8.738 8.150 0.118 0.000 0.417 74 V N 0.187 120.205 119.914 0.172 0.000 2.487 74 V HA 0.899 5.239 4.120 0.076 -0.174 0.298 74 V C -2.671 173.474 176.094 0.085 0.000 1.028 74 V CA -2.750 59.620 62.300 0.117 0.000 0.860 74 V CB 4.174 36.084 31.823 0.145 0.000 0.991 74 V HN 0.537 8.858 8.190 0.219 0.000 0.427 75 L N 9.831 131.048 121.223 -0.009 0.000 2.319 75 L HA 0.620 5.114 4.340 0.071 -0.111 0.281 75 L C -2.156 174.699 176.870 -0.025 0.000 1.005 75 L CA -1.288 53.550 54.840 -0.003 0.000 0.828 75 L CB 3.034 45.044 42.059 -0.082 0.000 1.227 75 L HN 1.131 9.201 8.230 -0.079 0.113 0.415 76 M N 7.051 126.664 119.600 0.023 0.000 2.061 76 M HA 0.246 4.717 4.480 -0.015 0.000 0.346 76 M C -1.303 174.979 176.300 -0.030 0.000 1.112 76 M CA -0.350 54.959 55.300 0.014 0.000 1.021 76 M CB 0.440 33.094 32.600 0.089 0.000 1.530 76 M HN 1.065 9.286 8.290 0.064 0.107 0.437 77 L N 4.997 126.185 121.223 -0.059 0.000 2.400 77 L HA 0.419 4.629 4.340 -0.216 0.000 0.264 77 L C -1.821 174.962 176.870 -0.144 0.000 1.061 77 L CA -2.685 52.067 54.840 -0.147 0.000 0.799 77 L CB 0.152 42.157 42.059 -0.089 0.000 1.240 77 L HN 0.081 8.289 8.230 -0.036 0.000 0.461 78 P HA 0.096 4.437 4.420 -0.131 0.000 0.274 78 P C -1.072 176.298 177.300 0.116 0.000 1.246 78 P CA -0.956 62.036 63.100 -0.179 0.000 0.795 78 P CB 0.587 32.043 31.700 -0.407 0.000 1.006 79 E N 1.037 121.245 120.200 0.013 0.000 2.452 79 E HA -0.313 4.058 4.350 0.035 0.000 0.261 79 E C 1.067 177.703 176.600 0.060 0.000 0.987 79 E CA 2.221 58.635 56.400 0.024 0.000 0.926 79 E CB -0.077 29.596 29.700 -0.046 0.000 0.934 79 E HN 0.253 8.555 8.360 -0.097 0.000 0.452 80 G N 2.524 111.331 108.800 0.011 0.000 2.268 80 G HA2 -0.416 3.486 3.960 -0.098 0.000 0.240 80 G HA3 -0.416 3.423 3.960 -0.202 0.000 0.240 80 G C -0.851 173.969 174.900 -0.133 0.000 1.010 80 G CA -0.001 45.035 45.100 -0.106 0.000 0.618 80 G HN 0.482 8.785 8.290 0.021 0.000 0.516 81 F N 2.983 122.900 119.950 -0.055 0.000 2.399 81 F HA 0.093 4.767 4.527 0.007 -0.143 0.342 81 F C -1.048 174.733 175.800 -0.031 0.000 1.106 81 F CA 0.885 58.877 58.000 -0.013 0.000 1.196 81 F CB 1.284 40.302 39.000 0.031 0.000 1.163 81 F HN -0.670 7.793 8.300 0.432 0.096 0.547 82 K N -2.225 118.244 120.400 0.115 0.000 2.522 82 K HA 0.476 4.818 4.320 0.037 0.000 0.275 82 K C -2.006 174.587 176.600 -0.011 0.000 1.006 82 K CA -1.852 54.454 56.287 0.031 0.000 0.890 82 K CB 3.747 36.240 32.500 -0.012 0.000 1.475 82 K HN 0.270 8.581 8.250 0.102 0.000 0.441 83 L N 1.160 122.349 121.223 -0.056 0.000 2.456 83 L HA 0.076 4.480 4.340 -0.088 -0.117 0.272 83 L C 0.116 176.927 176.870 -0.097 0.000 1.189 83 L CA 0.198 54.986 54.840 -0.086 0.000 0.846 83 L CB 0.878 42.875 42.059 -0.104 0.000 1.111 83 L HN 0.474 8.670 8.230 -0.056 0.000 0.475 84 A N 6.559 129.314 122.820 -0.108 0.000 2.388 84 A HA 0.265 4.523 4.320 -0.104 0.000 0.257 84 A C -2.269 175.205 177.584 -0.182 0.000 1.095 84 A CA -1.762 50.200 52.037 -0.125 0.000 0.791 84 A CB -0.403 18.522 19.000 -0.124 0.000 1.029 84 A HN 0.182 8.170 8.150 -0.098 0.103 0.489 85 P HA 0.278 4.504 4.420 -0.323 0.000 0.274 85 P C -0.827 176.313 177.300 -0.266 0.000 1.231 85 P CA -2.066 60.914 63.100 -0.200 0.000 0.790 85 P CB -0.748 30.911 31.700 -0.069 0.000 0.951 86 P HA -0.222 3.393 4.420 -1.342 0.000 0.216 86 P C 1.528 178.633 177.300 -0.325 0.000 1.150 86 P CA 2.499 65.228 63.100 -0.617 0.000 0.843 86 P CB 0.054 31.671 31.700 -0.138 0.000 0.787 87 E N -3.644 116.485 120.200 -0.120 0.000 2.153 87 E HA -0.284 4.029 4.350 -0.061 0.000 0.194 87 E C 1.067 177.615 176.600 -0.088 0.000 0.988 87 E CA 2.447 58.805 56.400 -0.070 0.000 0.811 87 E CB -0.980 28.710 29.700 -0.017 0.000 0.746 87 E HN 0.341 8.648 8.360 -0.050 0.023 0.466 88 R N -4.228 116.209 120.500 -0.105 0.000 2.148 88 R HA -0.122 4.183 4.340 -0.057 0.000 0.223 88 R C 0.401 176.643 176.300 -0.098 0.000 1.088 88 R CA -0.342 55.706 56.100 -0.086 0.000 0.985 88 R CB 0.223 30.475 30.300 -0.080 0.000 0.880 88 R HN -0.548 7.523 8.270 -0.120 0.127 0.451 89 V N 1.867 121.684 119.914 -0.161 0.000 2.521 89 V HA -0.201 3.861 4.120 -0.096 0.000 0.286 89 V C -0.333 175.708 176.094 -0.088 0.000 1.034 89 V CA 0.623 62.840 62.300 -0.138 0.000 1.045 89 V CB -0.038 31.657 31.823 -0.213 0.000 0.974 89 V HN -0.644 7.260 8.190 -0.230 0.149 0.480 90 D N 7.112 127.486 120.400 -0.043 0.000 2.360 90 D HA -0.149 4.475 4.640 -0.026 0.000 0.242 90 D C 0.727 177.018 176.300 -0.016 0.000 1.184 90 D CA -1.250 52.737 54.000 -0.021 0.000 0.930 90 D CB 0.818 41.617 40.800 -0.002 0.000 1.161 90 D HN -0.086 8.265 8.370 -0.031 0.000 0.447 91 E N -0.170 120.026 120.200 -0.006 0.000 2.051 91 E HA -0.363 3.987 4.350 -0.000 0.000 0.192 91 E C 2.538 179.145 176.600 0.012 0.000 0.991 91 E CA 3.114 59.515 56.400 0.002 0.000 0.799 91 E CB -0.373 29.331 29.700 0.006 0.000 0.748 91 E HN 0.378 8.736 8.360 -0.004 0.000 0.449 92 E N -0.959 119.249 120.200 0.014 0.000 2.110 92 E HA -0.225 4.137 4.350 0.019 0.000 0.193 92 E C 1.861 178.476 176.600 0.024 0.000 0.988 92 E CA 2.659 59.070 56.400 0.019 0.000 0.804 92 E CB -0.456 29.255 29.700 0.019 0.000 0.745 92 E HN 0.272 8.639 8.360 0.012 0.000 0.458 93 L N -2.450 118.786 121.223 0.022 0.000 2.141 93 L HA -0.207 4.306 4.340 0.033 -0.153 0.209 93 L C 2.097 178.990 176.870 0.039 0.000 1.094 93 L CA 2.274 57.131 54.840 0.028 0.000 0.763 93 L CB -0.134 41.938 42.059 0.022 0.000 0.908 93 L HN -0.382 7.841 8.230 0.016 0.017 0.437 94 M N -2.543 117.078 119.600 0.035 0.000 2.108 94 M HA -0.543 3.973 4.480 0.061 0.000 0.261 94 M C 2.428 178.798 176.300 0.117 0.000 1.066 94 M CA 4.107 59.447 55.300 0.067 0.000 1.107 94 M CB -0.541 32.092 32.600 0.056 0.000 1.356 94 M HN -0.645 7.657 8.290 0.021 0.000 0.406 95 E N -3.419 116.831 120.200 0.085 0.000 2.150 95 E HA -0.199 4.213 4.350 0.104 0.000 0.193 95 E C 1.165 177.810 176.600 0.074 0.000 0.985 95 E CA 1.599 58.049 56.400 0.082 0.000 0.814 95 E CB -0.914 28.819 29.700 0.055 0.000 0.752 95 E HN 0.163 8.560 8.360 0.063 0.000 0.466 96 E N -2.757 117.480 120.200 0.062 0.000 2.204 96 E HA -0.181 4.192 4.350 0.038 0.000 0.194 96 E C 0.480 177.116 176.600 0.061 0.000 0.989 96 E CA 1.082 57.511 56.400 0.049 0.000 0.824 96 E CB 0.565 30.288 29.700 0.038 0.000 0.756 96 E HN -0.412 7.850 8.360 0.059 0.133 0.477 97 V N -2.301 117.669 119.914 0.093 0.000 2.834 97 V HA 0.058 4.220 4.120 0.070 0.000 0.313 97 V C 0.128 176.315 176.094 0.155 0.000 1.060 97 V CA -0.925 61.441 62.300 0.110 0.000 0.989 97 V CB 1.344 33.244 31.823 0.129 0.000 1.041 97 V HN -0.848 7.367 8.190 0.108 0.040 0.459 98 G N 1.474 110.365 108.800 0.153 0.000 2.614 98 G HA2 -0.210 3.885 3.960 0.224 0.000 0.239 98 G HA3 -0.210 3.858 3.960 0.179 0.000 0.239 98 G C -0.954 174.055 174.900 0.182 0.000 1.240 98 G CA -0.589 44.624 45.100 0.190 0.000 0.842 98 G HN 0.104 8.461 8.290 0.112 0.000 0.584 99 D N 0.739 121.217 120.400 0.130 0.000 2.455 99 D HA -0.183 4.395 4.640 -0.102 0.000 0.265 99 D C 1.257 177.468 176.300 -0.149 0.000 1.284 99 D CA 1.222 55.186 54.000 -0.059 0.000 0.944 99 D CB -0.182 40.634 40.800 0.026 0.000 1.121 99 D HN 0.214 8.697 8.370 0.189 0.000 0.525 100 F N 3.889 123.916 119.950 0.129 0.000 2.095 100 F HA -0.367 4.199 4.527 0.036 -0.017 0.298 100 F C 1.080 176.888 175.800 0.014 0.000 1.104 100 F CA 2.729 60.752 58.000 0.037 0.000 1.232 100 F CB -0.983 37.995 39.000 -0.037 0.000 0.987 100 F HN -0.449 7.585 8.300 -0.442 0.000 0.475 101 Y N -2.468 117.598 120.300 -0.390 0.000 2.130 101 Y HA -0.391 4.239 4.550 0.133 0.000 0.287 101 Y C 2.236 178.110 175.900 -0.042 0.000 1.124 101 Y CA 3.637 61.715 58.100 -0.036 0.000 1.118 101 Y CB -0.759 37.691 38.460 -0.017 0.000 0.994 101 Y HN -0.415 7.068 8.280 -1.329 0.000 0.497 102 Y N -0.316 119.980 120.300 -0.007 0.000 2.145 102 Y HA -0.349 4.209 4.550 0.013 0.000 0.286 102 Y C 0.493 176.380 175.900 -0.020 0.000 1.145 102 Y CA 2.542 60.630 58.100 -0.019 0.000 1.148 102 Y CB -0.473 37.947 38.460 -0.066 0.000 0.981 102 Y HN -0.382 7.951 8.280 0.089 0.000 0.507 103 L N -4.955 115.970 121.223 -0.497 0.000 2.141 103 L HA -0.157 3.542 4.340 -1.067 0.000 0.209 103 L C -0.108 176.561 176.870 -0.335 0.000 1.094 103 L CA 1.900 56.383 54.840 -0.596 0.000 0.763 103 L CB 0.115 42.008 42.059 -0.278 0.000 0.908 103 L HN -0.596 7.529 8.230 -0.176 0.000 0.437 104 V N -3.565 116.242 119.914 -0.178 0.000 2.439 104 V HA 0.428 4.618 4.120 -0.170 -0.172 0.282 104 V C -0.246 175.779 176.094 -0.114 0.000 1.039 104 V CA -0.974 61.240 62.300 -0.144 0.000 0.913 104 V CB 0.745 32.495 31.823 -0.121 0.000 0.983 104 V HN -0.804 7.279 8.190 -0.131 0.028 0.460 105 T N 7.533 122.018 114.554 -0.115 0.000 2.861 105 T HA 0.519 4.840 4.350 -0.048 0.000 0.287 105 T C -2.547 172.120 174.700 -0.054 0.000 1.003 105 T CA -3.944 58.112 62.100 -0.072 0.000 0.977 105 T CB 2.418 71.239 68.868 -0.078 0.000 0.996 105 T HN 0.560 8.718 8.240 -0.137 0.000 0.448 106 P HA 0.296 4.870 4.420 0.013 -0.146 0.277 106 P C -0.960 176.363 177.300 0.038 0.000 1.240 106 P CA -0.958 62.149 63.100 0.012 0.000 0.798 106 P CB 1.072 32.782 31.700 0.017 0.000 0.979 107 Y N 3.430 123.717 120.300 -0.021 0.000 2.200 107 Y HA -0.351 4.200 4.550 0.001 0.000 0.290 107 Y C -0.871 175.035 175.900 0.011 0.000 1.137 107 Y CA 3.208 61.308 58.100 -0.001 0.000 1.163 107 Y CB 1.166 39.629 38.460 0.005 0.000 0.988 107 Y HN 0.352 8.757 8.280 0.209 0.000 0.518 108 S N -7.055 108.739 115.700 0.157 0.000 2.643 108 S HA 0.138 4.618 4.470 0.016 0.000 0.270 108 S C -1.654 172.987 174.600 0.069 0.000 1.166 108 S CA -1.113 57.140 58.200 0.088 0.000 0.815 108 S CB 2.859 66.153 63.200 0.157 0.000 1.139 108 S HN -0.915 7.510 8.310 0.192 0.000 0.472 109 E N -0.110 120.118 120.200 0.045 0.000 2.077 109 E HA -0.249 4.118 4.350 0.028 0.000 0.193 109 E C 2.254 178.877 176.600 0.039 0.000 0.989 109 E CA 3.052 59.472 56.400 0.034 0.000 0.800 109 E CB 0.061 29.776 29.700 0.025 0.000 0.746 109 E HN 0.448 8.833 8.360 0.041 0.000 0.452 110 T N -1.722 112.860 114.554 0.048 0.000 2.904 110 T HA -0.186 4.181 4.350 0.029 0.000 0.267 110 T C 0.586 175.313 174.700 0.046 0.000 1.059 110 T CA 2.077 64.201 62.100 0.042 0.000 1.137 110 T CB -0.080 68.814 68.868 0.043 0.000 0.879 110 T HN -0.255 8.018 8.240 0.055 0.000 0.467 111 D N 0.140 120.584 120.400 0.073 0.000 2.344 111 D HA 0.127 4.911 4.640 0.055 -0.110 0.242 111 D C 0.912 177.255 176.300 0.072 0.000 1.159 111 D CA 0.147 54.199 54.000 0.087 0.000 0.859 111 D CB -1.076 39.833 40.800 0.181 0.000 0.925 111 D HN 0.278 8.549 8.370 0.088 0.152 0.510 112 E N -1.315 118.912 120.200 0.046 0.000 2.273 112 E HA -0.441 3.927 4.350 0.030 0.000 0.198 112 E C 0.933 177.547 176.600 0.022 0.000 1.002 112 E CA 3.057 59.474 56.400 0.029 0.000 0.828 112 E CB -0.483 29.225 29.700 0.015 0.000 0.747 112 E HN -0.046 8.259 8.360 0.039 0.078 0.491 113 N N -2.811 115.908 118.700 0.032 0.000 2.381 113 N HA -0.175 4.774 4.740 0.058 -0.174 0.182 113 N C -0.441 175.073 175.510 0.007 0.000 1.025 113 N CA 1.080 54.153 53.050 0.039 0.000 0.888 113 N CB 0.018 38.538 38.487 0.056 0.000 0.965 113 N HN 0.137 8.500 8.380 0.033 0.037 0.438 114 I N 0.558 121.133 120.570 0.009 0.000 2.312 114 I HA 0.296 4.611 4.170 -0.030 -0.163 0.290 114 I C -1.881 174.245 176.117 0.015 0.000 1.008 114 I CA -0.624 60.674 61.300 -0.003 0.000 1.226 114 I CB 0.379 38.359 38.000 -0.032 0.000 1.371 114 I HN 0.107 8.171 8.210 0.032 0.164 0.468 115 L N 7.503 128.681 121.223 -0.076 0.000 2.317 115 L HA 0.750 5.165 4.340 -0.109 -0.140 0.281 115 L C -2.204 174.575 176.870 -0.151 0.000 1.024 115 L CA -1.901 52.837 54.840 -0.170 0.000 0.810 115 L CB 2.933 44.750 42.059 -0.404 0.000 1.240 115 L HN 0.621 8.791 8.230 -0.100 0.000 0.427 116 L N 4.798 125.960 121.223 -0.102 0.000 2.346 116 L HA 0.913 5.426 4.340 -0.006 -0.177 0.274 116 L C -1.636 175.176 176.870 -0.097 0.000 1.007 116 L CA -1.436 53.377 54.840 -0.045 0.000 0.818 116 L CB 3.439 45.508 42.059 0.017 0.000 1.284 116 L HN 0.808 8.978 8.230 -0.101 0.000 0.424 117 A N -0.333 122.464 122.820 -0.038 0.000 2.515 117 A HA 0.922 5.328 4.320 -0.115 -0.156 0.298 117 A C -1.090 176.473 177.584 -0.034 0.000 1.059 117 A CA -1.732 50.277 52.037 -0.047 0.000 0.698 117 A CB 3.781 22.825 19.000 0.074 0.000 1.289 117 A HN 0.331 8.490 8.150 0.015 0.000 0.404 118 G N -1.427 107.311 108.800 -0.104 0.000 2.661 118 G HA2 -0.200 3.766 3.960 -0.106 0.000 0.685 118 G HA3 -0.200 3.868 3.960 -0.011 -0.115 0.685 118 G C -3.169 171.684 174.900 -0.079 0.000 1.298 118 G CA -0.722 44.335 45.100 -0.072 0.000 0.855 118 G HN -0.017 8.168 8.290 -0.176 0.000 0.560 119 P HA 0.536 5.232 4.420 0.030 -0.257 0.275 119 P C -1.006 176.274 177.300 -0.033 0.000 1.228 119 P CA -0.724 62.369 63.100 -0.011 0.000 0.786 119 P CB 0.989 32.719 31.700 0.050 0.000 0.927 120 L N 2.026 123.247 121.223 -0.002 0.000 2.350 120 L HA 0.566 4.919 4.340 0.022 0.000 0.260 120 L C -2.522 174.411 176.870 0.105 0.000 1.015 120 L CA -3.203 51.644 54.840 0.012 0.000 0.821 120 L CB 3.671 45.644 42.059 -0.144 0.000 1.370 120 L HN 0.441 8.685 8.230 0.024 0.000 0.416 121 P HA 0.072 4.703 4.420 0.140 -0.127 0.271 121 P C 0.629 178.064 177.300 0.225 0.000 1.220 121 P CA -0.455 62.750 63.100 0.174 0.000 0.768 121 P CB 0.208 32.005 31.700 0.163 0.000 0.848 122 G N 2.647 111.580 108.800 0.221 0.000 2.422 122 G HA2 -0.345 3.803 3.960 0.313 0.000 0.218 122 G HA3 -0.345 3.871 3.960 0.427 0.000 0.218 122 G C 0.037 175.110 174.900 0.287 0.000 1.146 122 G CA 1.718 47.013 45.100 0.325 0.000 0.769 122 G HN 0.233 8.630 8.290 0.179 0.000 0.547 123 E N -1.986 118.345 120.200 0.218 0.000 2.110 123 E HA -0.322 4.086 4.350 0.096 0.000 0.193 123 E C 0.239 176.883 176.600 0.072 0.000 0.988 123 E CA 1.539 58.013 56.400 0.123 0.000 0.804 123 E CB -0.560 29.199 29.700 0.098 0.000 0.745 123 E HN 0.125 8.598 8.360 0.212 0.015 0.458 124 D N -1.240 119.218 120.400 0.097 0.000 2.123 124 D HA -0.139 4.463 4.640 -0.063 0.000 0.200 124 D C 0.227 176.450 176.300 -0.128 0.000 0.976 124 D CA 2.243 56.241 54.000 -0.004 0.000 0.831 124 D CB 0.683 41.527 40.800 0.073 0.000 0.974 124 D HN -0.646 7.801 8.370 0.153 0.014 0.469 125 Y N -0.654 119.676 120.300 0.049 0.000 2.721 125 Y HA 0.114 4.674 4.550 0.016 0.000 0.328 125 Y C -0.059 175.854 175.900 0.021 0.000 1.003 125 Y CA -0.498 57.620 58.100 0.030 0.000 1.275 125 Y CB -1.013 37.468 38.460 0.035 0.000 1.097 125 Y HN -0.720 7.752 8.280 0.319 0.000 0.514 126 Q N 1.642 121.473 119.800 0.051 0.000 2.123 126 Q HA -0.156 4.201 4.340 0.028 0.000 0.199 126 Q C -0.163 175.861 176.000 0.040 0.000 0.966 126 Q CA 1.584 57.402 55.803 0.024 0.000 0.845 126 Q CB 1.150 29.871 28.738 -0.029 0.000 0.907 126 Q HN 0.097 8.345 8.270 -0.037 0.000 0.439 127 E N -2.841 117.389 120.200 0.050 0.000 2.272 127 E HA 0.580 5.089 4.350 0.005 -0.156 0.269 127 E C -1.358 175.288 176.600 0.078 0.000 0.877 127 E CA -1.374 55.041 56.400 0.025 0.000 0.755 127 E CB 2.513 32.206 29.700 -0.012 0.000 1.192 127 E HN -0.344 8.028 8.360 0.043 0.014 0.422 128 M N 5.488 125.058 119.600 -0.051 0.000 2.125 128 M HA 0.289 4.825 4.480 0.093 0.000 0.321 128 M C -1.484 174.547 176.300 -0.449 0.000 0.983 128 M CA -0.758 54.444 55.300 -0.165 0.000 0.934 128 M CB 2.990 35.394 32.600 -0.328 0.000 1.542 128 M HN 0.749 8.867 8.290 -0.109 0.107 0.424 129 I N 4.295 124.690 120.570 -0.292 0.000 2.355 129 I HA 0.573 4.696 4.170 -0.387 -0.185 0.288 129 I C -1.878 174.097 176.117 -0.236 0.000 0.999 129 I CA -1.918 59.211 61.300 -0.285 0.000 1.163 129 I CB 2.349 40.300 38.000 -0.082 0.000 1.316 129 I HN 0.593 8.744 8.210 -0.099 0.000 0.454 130 F N 9.141 129.088 119.950 -0.006 0.000 2.410 130 F HA 0.511 5.025 4.527 -0.022 0.000 0.349 130 F C -2.056 173.685 175.800 -0.099 0.000 1.117 130 F CA -3.874 54.100 58.000 -0.043 0.000 1.104 130 F CB 0.033 38.996 39.000 -0.062 0.000 1.122 130 F HN 0.796 8.858 8.300 -0.396 0.000 0.483 131 P HA 0.211 4.585 4.420 -0.077 0.000 0.282 131 P C -1.429 175.785 177.300 -0.144 0.000 1.274 131 P CA -0.183 62.894 63.100 -0.038 0.000 0.770 131 P CB 0.040 31.746 31.700 0.010 0.000 0.867 132 I N 4.316 124.650 120.570 -0.393 0.000 2.545 132 I HA 0.311 4.458 4.170 -0.209 -0.102 0.292 132 I C -2.001 173.931 176.117 -0.309 0.000 1.040 132 I CA -1.224 59.819 61.300 -0.429 0.000 1.068 132 I CB 4.526 42.081 38.000 -0.743 0.000 1.251 132 I HN 1.029 8.821 8.210 -0.520 0.105 0.424 133 L N 6.867 128.044 121.223 -0.077 0.000 2.287 133 L HA 0.701 5.251 4.340 0.032 -0.191 0.287 133 L C -1.688 175.207 176.870 0.042 0.000 1.022 133 L CA -1.936 52.904 54.840 0.001 0.000 0.814 133 L CB 2.990 45.024 42.059 -0.042 0.000 1.217 133 L HN 1.000 9.090 8.230 -0.057 0.106 0.420 134 S N 7.355 123.101 115.700 0.078 0.000 2.603 134 S HA 0.294 4.349 4.470 -0.692 0.000 0.268 134 S C -1.583 172.793 174.600 -0.374 0.000 1.317 134 S CA -0.491 57.549 58.200 -0.266 0.000 1.012 134 S CB -0.221 62.934 63.200 -0.076 0.000 0.926 134 S HN 0.760 9.176 8.310 0.177 0.000 0.539 135 P HA 0.016 4.261 4.420 -0.291 0.000 0.277 135 P C -2.165 174.955 177.300 -0.300 0.000 1.271 135 P CA -0.454 62.397 63.100 -0.414 0.000 0.795 135 P CB 1.030 32.445 31.700 -0.475 0.000 1.101 136 N N -2.428 116.130 118.700 -0.236 0.000 2.483 136 N HA 0.402 5.040 4.740 -0.169 0.000 0.267 136 N C -0.995 174.362 175.510 -0.255 0.000 0.998 136 N CA -3.741 49.197 53.050 -0.187 0.000 0.918 136 N CB 1.234 39.668 38.487 -0.089 0.000 1.215 136 N HN 0.210 8.457 8.380 -0.222 0.000 0.500 137 P HA 0.073 4.433 4.420 -0.439 -0.203 0.220 137 P C -0.448 176.701 177.300 -0.252 0.000 1.148 137 P CA 1.767 64.586 63.100 -0.469 0.000 0.803 137 P CB 0.578 31.771 31.700 -0.845 0.000 0.782 138 A N -3.144 119.622 122.820 -0.091 0.000 1.877 138 A HA -0.197 4.128 4.320 0.008 0.000 0.216 138 A C 1.713 179.261 177.584 -0.059 0.000 1.186 138 A CA 2.749 54.776 52.037 -0.016 0.000 0.620 138 A CB -0.711 18.316 19.000 0.045 0.000 0.822 138 A HN -0.468 7.867 8.150 -0.051 -0.216 0.443 139 T N -5.456 109.053 114.554 -0.075 0.000 2.896 139 T HA -0.168 4.150 4.350 -0.053 0.000 0.263 139 T C 0.422 175.058 174.700 -0.106 0.000 1.050 139 T CA 1.100 63.155 62.100 -0.075 0.000 1.140 139 T CB 0.450 69.279 68.868 -0.066 0.000 0.877 139 T HN -0.527 7.667 8.240 -0.076 0.000 0.457 140 D N 2.155 122.458 120.400 -0.162 0.000 2.349 140 D HA 0.180 4.736 4.640 -0.139 0.000 0.232 140 D C -0.581 175.561 176.300 -0.264 0.000 1.071 140 D CA -1.215 52.674 54.000 -0.185 0.000 0.832 140 D CB 1.955 42.637 40.800 -0.197 0.000 1.086 140 D HN -0.276 7.792 8.370 -0.186 0.190 0.504 141 A N 7.070 129.763 122.820 -0.213 0.000 1.930 141 A HA -0.148 3.978 4.320 -0.323 0.000 0.217 141 A C 1.137 178.535 177.584 -0.310 0.000 1.175 141 A CA 2.175 54.065 52.037 -0.245 0.000 0.627 141 A CB 0.043 18.986 19.000 -0.095 0.000 0.815 141 A HN 0.626 8.689 8.150 -0.146 0.000 0.443 142 G N -2.582 106.101 108.800 -0.194 0.000 2.432 142 G HA2 -0.148 3.795 3.960 -0.029 0.000 0.219 142 G HA3 -0.148 3.758 3.960 -0.090 0.000 0.219 142 G C -0.267 174.538 174.900 -0.159 0.000 1.135 142 G CA 0.509 45.541 45.100 -0.114 0.000 0.767 142 G HN 0.314 8.786 8.290 -0.165 -0.280 0.550 143 V N -3.651 116.067 119.914 -0.327 0.000 2.667 143 V HA 0.272 4.324 4.120 -0.113 0.000 0.308 143 V C -2.155 173.610 176.094 -0.548 0.000 1.048 143 V CA -2.413 59.710 62.300 -0.296 0.000 0.928 143 V CB 1.464 33.112 31.823 -0.291 0.000 1.004 143 V HN -0.845 7.100 8.190 -0.367 0.024 0.444 144 Y N 1.706 121.967 120.300 -0.066 0.000 2.633 144 Y HA 0.256 4.692 4.550 -0.191 0.000 0.339 144 Y C -0.615 175.273 175.900 -0.021 0.000 1.045 144 Y CA -1.070 56.992 58.100 -0.063 0.000 1.098 144 Y CB 3.133 41.641 38.460 0.079 0.000 1.296 144 Y HN -0.639 7.759 8.280 0.197 0.000 0.494 145 F N -0.566 119.573 119.950 0.316 0.000 2.418 145 F HA -0.162 4.517 4.527 0.254 0.000 0.341 145 F C 0.444 176.340 175.800 0.161 0.000 1.120 145 F CA 1.343 59.477 58.000 0.223 0.000 1.232 145 F CB 0.728 39.801 39.000 0.122 0.000 1.175 145 F HN 0.036 8.533 8.300 0.328 0.000 0.569 146 G N 0.465 109.380 108.800 0.192 0.000 2.343 146 G HA2 -0.128 3.799 3.960 -0.055 0.000 0.289 146 G HA3 -0.128 3.685 3.960 -0.246 0.000 0.289 146 G C -3.346 171.260 174.900 -0.490 0.000 1.295 146 G CA -0.346 44.656 45.100 -0.164 0.000 0.869 146 G HN -0.237 8.222 8.290 0.281 0.000 0.522 147 K N 0.771 120.833 120.400 -0.564 0.000 2.156 147 K HA 0.522 4.792 4.320 -0.309 -0.135 0.271 147 K C -1.015 175.139 176.600 -0.744 0.000 0.995 147 K CA -0.665 55.343 56.287 -0.464 0.000 0.890 147 K CB 1.734 34.099 32.500 -0.224 0.000 1.073 147 K HN 0.012 8.002 8.250 -0.434 0.000 0.454 148 Y N 3.725 124.015 120.300 -0.016 0.000 2.605 148 Y HA 0.180 4.715 4.550 -0.025 0.000 0.343 148 Y C -1.877 173.949 175.900 -0.123 0.000 1.036 148 Y CA -1.365 56.704 58.100 -0.052 0.000 1.065 148 Y CB 4.878 43.303 38.460 -0.058 0.000 1.288 148 Y HN 1.091 9.190 8.280 -0.121 0.109 0.481 149 S N 0.023 115.742 115.700 0.032 0.000 2.549 149 S HA 0.751 5.300 4.470 -0.137 -0.161 0.297 149 S C -1.098 173.296 174.600 -0.345 0.000 1.115 149 S CA -0.969 57.131 58.200 -0.167 0.000 1.059 149 S CB 2.107 65.188 63.200 -0.198 0.000 1.046 149 S HN 0.021 8.406 8.310 0.124 0.000 0.506 150 I N 2.931 123.269 120.570 -0.388 0.000 2.509 150 I HA 0.190 4.274 4.170 -0.355 -0.127 0.293 150 I C -1.589 174.280 176.117 -0.413 0.000 1.020 150 I CA -1.081 60.006 61.300 -0.355 0.000 1.088 150 I CB 3.299 41.200 38.000 -0.165 0.000 1.267 150 I HN 1.008 8.938 8.210 -0.295 0.104 0.430 151 H N 5.090 124.153 119.070 -0.011 0.000 2.489 151 H HA 0.842 5.582 4.556 0.001 -0.183 0.343 151 H C -1.550 173.787 175.328 0.014 0.000 1.086 151 H CA -1.680 54.368 56.048 -0.000 0.000 1.198 151 H CB 2.601 32.361 29.762 -0.004 0.000 1.490 151 H HN 0.532 8.732 8.280 -0.133 0.000 0.504 152 L N 4.292 125.590 121.223 0.126 0.000 2.346 152 L HA 0.646 5.200 4.340 0.111 -0.147 0.276 152 L C -1.841 175.061 176.870 0.054 0.000 1.006 152 L CA -1.864 53.030 54.840 0.090 0.000 0.817 152 L CB 4.106 46.201 42.059 0.060 0.000 1.272 152 L HN 0.555 8.855 8.230 0.117 0.000 0.421 153 G N 3.725 112.581 108.800 0.094 0.000 2.626 153 G HA2 0.616 4.580 3.960 -0.281 0.000 0.304 153 G HA3 0.616 4.894 3.960 0.529 0.000 0.304 153 G C -2.513 172.416 174.900 0.049 0.000 1.385 153 G CA -0.690 44.461 45.100 0.085 0.000 0.957 153 G HN 0.627 8.999 8.290 0.136 0.000 0.504 154 G N 2.445 111.001 108.800 -0.407 0.000 2.617 154 G HA2 0.725 4.882 3.960 0.115 0.000 0.306 154 G HA3 0.725 4.630 3.960 -0.092 0.000 0.306 154 G C -3.138 171.704 174.900 -0.097 0.000 1.360 154 G CA -1.214 43.829 45.100 -0.095 0.000 0.983 154 G HN 0.810 8.497 8.290 -1.006 0.000 0.496 155 N N 3.055 121.839 118.700 0.139 0.000 2.262 155 N HA 0.908 5.893 4.740 0.101 -0.185 0.295 155 N C -2.221 173.296 175.510 0.011 0.000 1.161 155 N CA -1.360 51.758 53.050 0.113 0.000 0.767 155 N CB 4.306 42.810 38.487 0.029 0.000 1.499 155 N HN 0.734 9.200 8.380 0.143 0.000 0.476 156 R N 0.742 121.223 120.500 -0.031 0.000 2.673 156 R HA 0.843 5.314 4.340 -0.055 -0.164 0.281 156 R C -1.030 175.223 176.300 -0.078 0.000 0.991 156 R CA -2.373 53.679 56.100 -0.081 0.000 0.896 156 R CB 2.985 33.177 30.300 -0.179 0.000 1.201 156 R HN 0.381 8.641 8.270 -0.016 0.000 0.457 157 G N 3.818 112.581 108.800 -0.062 0.000 2.690 157 G HA2 -0.400 3.551 3.960 -0.023 0.000 0.686 157 G HA3 -0.400 3.602 3.960 -0.004 -0.045 0.686 157 G C -1.600 173.395 174.900 0.157 0.000 1.277 157 G CA -0.610 44.494 45.100 0.007 0.000 0.799 157 G HN 0.271 8.522 8.290 -0.065 0.000 0.613 158 R N 0.640 121.219 120.500 0.132 0.000 2.594 158 R HA -0.058 4.384 4.340 0.170 0.000 0.272 158 R C 0.511 176.852 176.300 0.068 0.000 1.074 158 R CA -0.085 56.090 56.100 0.125 0.000 1.105 158 R CB 0.651 30.974 30.300 0.037 0.000 1.008 158 R HN -0.342 8.208 8.270 0.071 -0.237 0.472 159 G N 0.672 109.342 108.800 -0.216 0.000 2.537 159 G HA2 0.105 3.509 3.960 -0.926 0.000 0.273 159 G HA3 0.105 3.369 3.960 -1.160 0.000 0.273 159 G C -1.018 173.690 174.900 -0.320 0.000 1.189 159 G CA -0.773 43.870 45.100 -0.761 0.000 0.881 159 G HN -0.106 8.095 8.290 -0.147 0.000 0.535 160 Q N -1.939 117.676 119.800 -0.308 0.000 2.212 160 Q HA 0.086 4.330 4.340 -0.160 0.000 0.199 160 Q C 0.639 176.494 176.000 -0.242 0.000 0.950 160 Q CA 2.503 58.177 55.803 -0.215 0.000 0.863 160 Q CB 1.114 29.731 28.738 -0.201 0.000 0.944 160 Q HN -0.176 7.854 8.270 -0.400 0.000 0.465 161 V N -3.989 115.770 119.914 -0.259 0.000 3.001 161 V HA 0.267 4.222 4.120 -0.477 -0.121 0.314 161 V C -2.002 174.001 176.094 -0.151 0.000 1.099 161 V CA -2.216 59.902 62.300 -0.303 0.000 0.989 161 V CB 3.960 35.624 31.823 -0.265 0.000 1.040 161 V HN -0.901 7.116 8.190 -0.289 0.000 0.434 162 Y N 2.715 122.877 120.300 -0.230 0.000 2.534 162 Y HA 0.442 4.746 4.550 -0.409 0.000 0.329 162 Y C -0.598 175.153 175.900 -0.248 0.000 1.154 162 Y CA -3.869 54.058 58.100 -0.288 0.000 1.192 162 Y CB -1.334 37.003 38.460 -0.205 0.000 1.275 162 Y HN 0.224 8.210 8.280 -0.491 0.000 0.491 163 P HA -0.095 4.278 4.420 -0.079 0.000 0.225 163 P C -0.225 177.068 177.300 -0.012 0.000 1.148 163 P CA 2.222 65.277 63.100 -0.075 0.000 0.779 163 P CB 0.008 31.674 31.700 -0.057 0.000 0.780 164 T N -3.374 111.219 114.554 0.065 0.000 2.833 164 T HA -0.171 4.212 4.350 0.054 0.000 0.269 164 T C 0.930 175.629 174.700 -0.000 0.000 1.054 164 T CA 1.683 63.829 62.100 0.076 0.000 1.135 164 T CB 0.270 69.265 68.868 0.211 0.000 0.869 164 T HN -0.386 7.884 8.240 0.131 0.050 0.466 165 G N -1.234 107.529 108.800 -0.062 0.000 2.201 165 G HA2 -0.305 3.600 3.960 -0.136 0.000 0.212 165 G HA3 -0.305 3.599 3.960 -0.093 0.000 0.212 165 G C -1.195 173.569 174.900 -0.228 0.000 0.994 165 G CA -0.338 44.685 45.100 -0.128 0.000 0.644 165 G HN -0.369 7.730 8.290 -0.043 0.166 0.508 166 E N -0.367 119.645 120.200 -0.313 0.000 2.319 166 E HA 0.145 4.303 4.350 -0.321 0.000 0.268 166 E C -0.847 175.115 176.600 -1.064 0.000 1.050 166 E CA -1.134 54.974 56.400 -0.486 0.000 0.878 166 E CB 1.261 30.816 29.700 -0.240 0.000 1.066 166 E HN -0.260 7.921 8.360 -0.174 0.074 0.406 167 L N 1.368 122.159 121.223 -0.721 0.000 2.417 167 L HA 0.283 4.360 4.340 -0.667 -0.137 0.268 167 L C 0.667 177.157 176.870 -0.633 0.000 1.158 167 L CA -0.293 54.149 54.840 -0.663 0.000 0.819 167 L CB 0.433 42.202 42.059 -0.484 0.000 1.112 167 L HN 0.171 8.136 8.230 -0.442 0.000 0.458 168 S N 2.348 117.895 115.700 -0.255 0.000 2.686 168 S HA 0.108 5.063 4.470 0.810 0.000 0.270 168 S C 0.322 175.060 174.600 0.229 0.000 1.194 168 S CA -0.958 57.439 58.200 0.328 0.000 0.990 168 S CB 1.383 64.780 63.200 0.327 0.000 1.029 168 S HN 0.498 8.522 8.310 -0.297 0.108 0.560 169 N N -4.154 114.681 118.700 0.225 0.000 2.512 169 N HA -0.174 4.766 4.740 0.334 0.000 0.183 169 N C -0.241 175.359 175.510 0.150 0.000 1.073 169 N CA 1.308 54.470 53.050 0.186 0.000 0.911 169 N CB -0.458 38.039 38.487 0.017 0.000 0.964 169 N HN 0.202 8.704 8.380 0.204 0.000 0.447 170 N N 1.268 120.018 118.700 0.082 0.000 3.324 170 N HA -0.011 4.758 4.740 0.047 0.000 0.302 170 N C -1.968 173.540 175.510 -0.002 0.000 1.360 170 N CA -0.856 52.216 53.050 0.038 0.000 1.190 170 N CB -0.257 38.240 38.487 0.016 0.000 1.462 170 N HN -0.604 7.774 8.380 0.081 0.050 0.532 171 N N -0.342 118.361 118.700 0.005 0.000 2.927 171 N HA 0.028 4.705 4.740 -0.105 0.000 0.248 171 N C -2.205 173.221 175.510 -0.141 0.000 1.443 171 N CA -0.513 52.455 53.050 -0.137 0.000 0.870 171 N CB 2.928 41.230 38.487 -0.309 0.000 1.444 171 N HN -0.819 7.576 8.380 0.128 0.062 0.519 172 A N -0.397 122.307 122.820 -0.194 0.000 2.354 172 A HA 0.119 4.474 4.320 0.058 0.000 0.269 172 A C -1.283 176.119 177.584 -0.304 0.000 1.109 172 A CA 0.008 51.983 52.037 -0.104 0.000 0.800 172 A CB 1.221 20.182 19.000 -0.066 0.000 1.045 172 A HN 0.014 8.045 8.150 -0.198 0.000 0.489 173 F N 0.023 119.950 119.950 -0.039 0.000 2.495 173 F HA 0.264 4.765 4.527 -0.044 0.000 0.327 173 F C -1.200 174.584 175.800 -0.027 0.000 1.103 173 F CA -1.182 56.796 58.000 -0.037 0.000 0.949 173 F CB 3.662 42.642 39.000 -0.035 0.000 1.142 173 F HN 0.350 8.831 8.300 0.302 0.000 0.457 174 S N 1.697 117.463 115.700 0.109 0.000 2.600 174 S HA 0.628 5.261 4.470 0.063 -0.124 0.300 174 S C -1.052 173.588 174.600 0.067 0.000 1.087 174 S CA -2.025 56.211 58.200 0.060 0.000 0.965 174 S CB 3.205 66.409 63.200 0.006 0.000 1.089 174 S HN 0.016 8.379 8.310 0.087 0.000 0.496 175 A N 1.621 124.469 122.820 0.046 0.000 2.524 175 A HA 0.084 4.432 4.320 0.048 0.000 0.250 175 A C 1.076 178.678 177.584 0.030 0.000 1.078 175 A CA 0.357 52.417 52.037 0.039 0.000 0.761 175 A CB 0.431 19.447 19.000 0.028 0.000 1.012 175 A HN 0.735 8.801 8.150 0.038 0.107 0.500 176 S N 1.826 117.546 115.700 0.033 0.000 2.428 176 S HA -0.209 4.274 4.470 0.021 0.000 0.230 176 S C -0.322 174.288 174.600 0.017 0.000 1.014 176 S CA 2.570 60.785 58.200 0.025 0.000 0.957 176 S CB 0.024 63.241 63.200 0.028 0.000 0.784 176 S HN 0.414 8.748 8.310 0.039 0.000 0.499 177 I N -3.128 117.453 120.570 0.017 0.000 3.093 177 I HA 0.002 4.178 4.170 0.010 0.000 0.308 177 I C -2.504 173.621 176.117 0.013 0.000 1.303 177 I CA -1.763 59.544 61.300 0.013 0.000 0.975 177 I CB 2.779 40.786 38.000 0.012 0.000 1.286 177 I HN -0.940 7.258 8.210 0.021 0.024 0.459 178 A N 1.931 124.756 122.820 0.010 0.000 2.340 178 A HA 0.438 4.930 4.320 0.010 -0.166 0.268 178 A C -1.254 176.336 177.584 0.010 0.000 1.100 178 A CA -0.550 51.493 52.037 0.009 0.000 0.803 178 A CB 1.527 20.532 19.000 0.007 0.000 1.043 178 A HN 0.190 8.345 8.150 0.008 0.000 0.488 179 G N -0.769 108.037 108.800 0.010 0.000 2.344 179 G HA2 0.064 4.029 3.960 0.008 0.000 0.282 179 G HA3 0.064 4.144 3.960 0.010 -0.113 0.282 179 G C -2.730 172.176 174.900 0.010 0.000 1.281 179 G CA 0.525 45.631 45.100 0.010 0.000 0.877 179 G HN 0.250 8.546 8.290 0.010 0.000 0.494 180 T N -1.025 113.536 114.554 0.010 0.000 2.888 180 T HA 0.613 5.111 4.350 0.011 -0.141 0.284 180 T C -0.474 174.234 174.700 0.012 0.000 1.017 180 T CA -2.369 59.737 62.100 0.011 0.000 1.022 180 T CB 2.746 71.620 68.868 0.009 0.000 1.013 180 T HN 0.169 8.415 8.240 0.010 0.000 0.465 181 I N 4.496 125.074 120.570 0.013 0.000 2.308 181 I HA 0.259 4.632 4.170 0.016 -0.193 0.293 181 I C 0.080 176.206 176.117 0.014 0.000 1.078 181 I CA -0.233 61.076 61.300 0.015 0.000 1.292 181 I CB -0.600 37.410 38.000 0.016 0.000 1.423 181 I HN 0.695 8.809 8.210 0.013 0.104 0.493 182 A N 10.090 132.919 122.820 0.014 0.000 1.898 182 A HA -0.042 4.285 4.320 0.011 0.000 0.216 182 A C -0.958 176.634 177.584 0.014 0.000 1.181 182 A CA 2.037 54.082 52.037 0.012 0.000 0.620 182 A CB 0.428 19.435 19.000 0.011 0.000 0.819 182 A HN 0.340 8.499 8.150 0.015 0.000 0.442 183 A N -6.849 115.982 122.820 0.017 0.000 2.586 183 A HA 0.210 4.541 4.320 0.018 0.000 0.291 183 A C -3.126 174.474 177.584 0.027 0.000 1.062 183 A CA -0.438 51.611 52.037 0.020 0.000 0.666 183 A CB 1.744 20.754 19.000 0.017 0.000 1.281 183 A HN -0.707 7.455 8.150 0.019 0.000 0.421 184 I N -5.667 114.923 120.570 0.032 0.000 2.656 184 I HA 1.087 5.515 4.170 0.049 -0.228 0.292 184 I C -1.776 174.376 176.117 0.058 0.000 1.144 184 I CA -1.590 59.736 61.300 0.044 0.000 1.038 184 I CB 4.080 42.102 38.000 0.037 0.000 1.244 184 I HN 0.119 8.346 8.210 0.029 0.000 0.420 185 E N 4.572 124.829 120.200 0.094 0.000 2.235 185 E HA 0.310 4.710 4.350 0.083 0.000 0.265 185 E C -2.048 174.672 176.600 0.200 0.000 0.940 185 E CA -1.682 54.792 56.400 0.124 0.000 0.819 185 E CB 3.373 33.147 29.700 0.123 0.000 1.206 185 E HN 0.284 8.708 8.360 0.107 0.000 0.409 186 D N 1.067 121.597 120.400 0.216 0.000 2.613 186 D HA 0.706 5.833 4.640 0.268 -0.326 0.230 186 D C -0.988 175.477 176.300 0.275 0.000 1.365 186 D CA 0.190 54.329 54.000 0.232 0.000 0.976 186 D CB 2.046 42.919 40.800 0.122 0.000 1.415 186 D HN 0.121 8.589 8.370 0.165 0.000 0.589 187 N N 2.671 121.605 118.700 0.389 0.000 2.535 187 N HA 0.166 5.065 4.740 0.265 0.000 0.294 187 N C 0.397 176.106 175.510 0.333 0.000 1.408 187 N CA -0.888 52.381 53.050 0.365 0.000 0.927 187 N CB 0.687 39.482 38.487 0.513 0.000 1.276 187 N HN 0.045 8.668 8.380 0.405 0.000 0.505 188 G N -1.207 107.701 108.800 0.178 0.000 2.579 188 G HA2 -0.330 3.637 3.960 0.012 0.000 0.222 188 G HA3 -0.330 3.648 3.960 0.029 0.000 0.222 188 G C -0.414 174.454 174.900 -0.053 0.000 1.201 188 G CA 0.307 45.434 45.100 0.045 0.000 0.710 188 G HN -0.048 8.253 8.290 0.156 0.083 0.516 189 F N 4.188 124.005 119.950 -0.221 0.000 2.429 189 F HA -0.004 4.298 4.527 -0.339 0.022 0.348 189 F C -0.270 175.348 175.800 -0.303 0.000 1.109 189 F CA 0.177 57.938 58.000 -0.399 0.000 1.232 189 F CB 0.630 39.099 39.000 -0.885 0.000 1.157 189 F HN -1.064 7.398 8.300 0.517 0.149 0.564 190 G N 0.754 109.509 108.800 -0.075 0.000 2.475 190 G HA2 0.289 4.720 3.960 0.105 0.000 0.322 190 G HA3 0.289 4.240 3.960 -0.016 0.000 0.322 190 G C -0.438 174.461 174.900 -0.001 0.000 1.044 190 G CA -1.285 43.820 45.100 0.009 0.000 1.047 190 G HN 0.215 8.407 8.290 -0.162 0.000 0.436 191 F N 5.027 125.014 119.950 0.062 0.000 2.161 191 F HA -0.204 4.354 4.527 0.052 0.000 0.300 191 F C -0.236 175.571 175.800 0.011 0.000 1.089 191 F CA 3.624 61.641 58.000 0.029 0.000 1.282 191 F CB 0.587 39.578 39.000 -0.014 0.000 1.010 191 F HN -0.227 8.315 8.300 0.403 0.000 0.485 192 D N -5.030 115.485 120.400 0.193 0.000 2.803 192 D HA 0.325 5.205 4.640 0.072 -0.197 0.218 192 D C -1.877 174.463 176.300 0.067 0.000 1.245 192 D CA -0.133 53.928 54.000 0.103 0.000 0.821 192 D CB 4.658 45.516 40.800 0.098 0.000 1.626 192 D HN -0.830 7.680 8.370 0.223 -0.007 0.487 193 V N 2.562 122.500 119.914 0.040 0.000 2.370 193 V HA 0.157 4.402 4.120 0.035 -0.104 0.283 193 V C -1.213 174.900 176.094 0.033 0.000 1.023 193 V CA -0.522 61.797 62.300 0.032 0.000 0.857 193 V CB 2.000 33.837 31.823 0.023 0.000 0.985 193 V HN 0.800 8.903 8.190 0.033 0.107 0.443 194 T N 8.949 123.521 114.554 0.030 0.000 2.767 194 T HA 0.599 5.143 4.350 0.028 -0.177 0.288 194 T C -1.278 173.435 174.700 0.022 0.000 0.963 194 T CA -1.182 60.933 62.100 0.026 0.000 1.019 194 T CB 0.890 69.771 68.868 0.023 0.000 0.923 194 T HN 0.624 8.882 8.240 0.030 0.000 0.468 195 I N 7.837 128.420 120.570 0.020 0.000 2.509 195 I HA 0.367 4.726 4.170 0.017 -0.178 0.293 195 I C -1.733 174.393 176.117 0.015 0.000 1.020 195 I CA -1.351 59.959 61.300 0.018 0.000 1.088 195 I CB 3.480 41.491 38.000 0.019 0.000 1.267 195 I HN 1.094 9.317 8.210 0.021 0.000 0.430 196 Q N 5.963 125.770 119.800 0.012 0.000 2.368 196 Q HA 0.703 5.186 4.340 0.010 -0.136 0.256 196 Q C -2.053 173.952 176.000 0.009 0.000 0.980 196 Q CA -2.709 53.101 55.803 0.010 0.000 0.887 196 Q CB 0.633 29.376 28.738 0.009 0.000 1.221 196 Q HN 0.802 8.964 8.270 0.012 0.116 0.458 197 P HA 0.128 4.708 4.420 0.008 -0.155 0.275 197 P C 0.855 178.159 177.300 0.006 0.000 1.266 197 P CA -0.705 62.399 63.100 0.008 0.000 0.793 197 P CB 0.874 32.579 31.700 0.008 0.000 1.074 198 E N -0.749 119.455 120.200 0.006 0.000 2.209 198 E HA -0.326 4.027 4.350 0.005 0.000 0.196 198 E C -0.539 176.064 176.600 0.004 0.000 0.993 198 E CA 2.808 59.211 56.400 0.005 0.000 0.819 198 E CB -0.325 29.378 29.700 0.004 0.000 0.745 198 E HN 0.633 8.997 8.360 0.006 0.000 0.477 199 D N -4.044 116.359 120.400 0.004 0.000 2.980 199 D HA 0.038 4.680 4.640 0.003 0.000 0.333 199 D C -0.089 176.213 176.300 0.004 0.000 1.356 199 D CA -0.936 53.066 54.000 0.004 0.000 0.847 199 D CB -1.853 38.949 40.800 0.003 0.000 1.122 199 D HN -0.723 7.620 8.370 0.005 0.030 0.475 200 G N 0.879 109.681 108.800 0.004 0.000 2.284 200 G HA2 -0.419 3.544 3.960 0.004 0.000 0.230 200 G HA3 -0.419 3.543 3.960 0.004 0.000 0.230 200 G C 0.016 174.919 174.900 0.005 0.000 1.021 200 G CA 0.085 45.187 45.100 0.004 0.000 0.619 200 G HN -0.397 7.896 8.290 0.005 0.000 0.510 201 D N 2.904 123.307 120.400 0.005 0.000 2.368 201 D HA 0.054 4.698 4.640 0.006 0.000 0.240 201 D C -1.669 174.636 176.300 0.008 0.000 1.169 201 D CA 0.946 54.949 54.000 0.006 0.000 0.906 201 D CB 1.176 41.980 40.800 0.007 0.000 1.187 201 D HN -0.491 7.973 8.370 0.005 -0.091 0.435 202 A N -0.439 122.386 122.820 0.009 0.000 2.374 202 A HA 0.603 5.115 4.320 0.011 -0.185 0.305 202 A C -1.602 175.990 177.584 0.013 0.000 1.053 202 A CA -1.412 50.631 52.037 0.011 0.000 0.726 202 A CB 2.974 21.980 19.000 0.010 0.000 1.229 202 A HN 0.243 8.398 8.150 0.008 0.000 0.431 203 V N 3.306 123.230 119.914 0.016 0.000 2.960 203 V HA 0.444 4.574 4.120 0.018 0.000 0.315 203 V C -1.974 174.134 176.094 0.024 0.000 1.087 203 V CA -2.211 60.100 62.300 0.019 0.000 0.982 203 V CB 3.798 35.633 31.823 0.019 0.000 1.039 203 V HN 0.818 9.018 8.190 0.016 0.000 0.437 204 V N 4.302 124.232 119.914 0.028 0.000 2.588 204 V HA 0.712 5.044 4.120 0.033 -0.192 0.304 204 V C -1.434 174.683 176.094 0.039 0.000 1.042 204 V CA -1.760 60.561 62.300 0.034 0.000 0.877 204 V CB 3.132 34.978 31.823 0.038 0.000 0.996 204 V HN 0.171 8.377 8.190 0.027 0.000 0.425 205 T N 7.446 122.024 114.554 0.039 0.000 2.779 205 T HA 0.299 4.678 4.350 0.047 0.000 0.280 205 T C -1.409 173.305 174.700 0.024 0.000 0.987 205 T CA -1.197 60.928 62.100 0.041 0.000 0.966 205 T CB 1.604 70.501 68.868 0.048 0.000 0.933 205 T HN 0.651 8.913 8.240 0.036 0.000 0.442 206 S N 8.236 123.946 115.700 0.017 0.000 2.480 206 S HA 0.443 5.168 4.470 -0.015 -0.264 0.286 206 S C -0.830 173.675 174.600 -0.158 0.000 1.180 206 S CA -1.121 57.063 58.200 -0.026 0.000 1.075 206 S CB 1.007 64.215 63.200 0.013 0.000 0.996 206 S HN 0.381 8.714 8.310 0.038 0.000 0.487 207 I N 7.366 127.767 120.570 -0.282 0.000 2.608 207 I HA 0.251 3.777 4.170 -1.073 0.000 0.295 207 I C -1.581 174.221 176.117 -0.524 0.000 1.049 207 I CA -1.100 59.798 61.300 -0.670 0.000 1.063 207 I CB 3.807 41.423 38.000 -0.638 0.000 1.248 207 I HN 0.816 8.916 8.210 -0.184 0.000 0.424 208 L N 3.550 124.377 121.223 -0.660 0.000 2.456 208 L HA 0.268 4.325 4.340 -0.472 0.000 0.257 208 L C -1.291 175.162 176.870 -0.695 0.000 1.162 208 L CA -3.073 51.421 54.840 -0.577 0.000 0.808 208 L CB -1.686 40.144 42.059 -0.382 0.000 1.136 208 L HN 0.263 7.887 8.230 -1.011 0.000 0.466 209 P HA -0.059 4.223 4.420 -0.489 -0.156 0.269 209 P C -0.145 176.915 177.300 -0.399 0.000 1.209 209 P CA -0.334 62.346 63.100 -0.700 0.000 0.776 209 P CB 0.637 31.821 31.700 -0.859 0.000 0.876 210 G N 0.613 109.276 108.800 -0.229 0.000 2.905 210 G HA2 -0.212 3.689 3.960 -0.098 0.000 0.199 210 G HA3 -0.212 3.677 3.960 -0.118 0.000 0.199 210 G C -2.686 172.173 174.900 -0.068 0.000 1.370 210 G CA -0.152 44.873 45.100 -0.125 0.000 0.966 210 G HN 0.135 8.302 8.290 -0.205 0.000 0.522 211 P HA 0.059 4.495 4.420 0.026 0.000 0.274 211 P C -1.460 175.826 177.300 -0.023 0.000 1.231 211 P CA -0.411 62.692 63.100 0.005 0.000 0.790 211 P CB 0.434 32.192 31.700 0.097 0.000 0.951 212 E N -0.049 120.152 120.200 0.002 0.000 2.166 212 E HA 0.228 4.567 4.350 -0.019 0.000 0.275 212 E C -0.996 175.607 176.600 0.005 0.000 0.941 212 E CA -1.769 54.628 56.400 -0.004 0.000 0.784 212 E CB 1.457 31.159 29.700 0.002 0.000 1.115 212 E HN -0.090 8.282 8.360 0.020 0.000 0.399 213 L N 5.213 126.435 121.223 -0.002 0.000 2.462 213 L HA -0.118 4.402 4.340 0.011 -0.173 0.272 213 L C 0.349 177.227 176.870 0.012 0.000 1.166 213 L CA 0.754 55.597 54.840 0.005 0.000 0.880 213 L CB 0.113 42.172 42.059 0.001 0.000 1.142 213 L HN 0.686 8.910 8.230 -0.010 0.000 0.473 214 I N 3.628 124.209 120.570 0.018 0.000 2.500 214 I HA -0.059 4.121 4.170 0.016 0.000 0.252 214 I C 0.676 176.803 176.117 0.016 0.000 1.142 214 I CA 0.459 61.769 61.300 0.018 0.000 1.451 214 I CB -0.077 37.935 38.000 0.021 0.000 1.093 214 I HN 0.326 8.440 8.210 0.023 0.110 0.430 215 V N -6.101 113.822 119.914 0.017 0.000 2.966 215 V HA 0.244 4.372 4.120 0.015 0.000 0.317 215 V C -1.177 174.926 176.094 0.015 0.000 1.070 215 V CA -2.448 59.862 62.300 0.016 0.000 1.008 215 V CB 1.240 33.073 31.823 0.018 0.000 1.070 215 V HN -0.783 7.382 8.190 0.018 0.035 0.457 216 A N 2.284 125.113 122.820 0.014 0.000 2.430 216 A HA 0.276 4.604 4.320 0.015 0.000 0.300 216 A C -1.472 176.120 177.584 0.014 0.000 1.124 216 A CA -1.188 50.858 52.037 0.014 0.000 0.766 216 A CB 1.816 20.823 19.000 0.012 0.000 1.328 216 A HN 0.057 8.215 8.150 0.014 0.000 0.424 217 V N -0.464 119.459 119.914 0.014 0.000 2.740 217 V HA -0.503 3.719 4.120 0.015 -0.093 0.303 217 V C 1.592 177.693 176.094 0.012 0.000 1.054 217 V CA 1.702 64.010 62.300 0.014 0.000 1.106 217 V CB -0.673 31.158 31.823 0.014 0.000 0.957 217 V HN 0.107 8.306 8.190 0.015 0.000 0.486 218 G N 7.183 115.990 108.800 0.011 0.000 2.157 218 G HA2 -0.456 3.510 3.960 0.009 0.000 0.248 218 G HA3 -0.456 3.510 3.960 0.009 0.000 0.248 218 G C -1.262 173.644 174.900 0.010 0.000 0.979 218 G CA -0.151 44.954 45.100 0.010 0.000 0.650 218 G HN 1.101 9.275 8.290 0.012 0.124 0.529 219 D N 0.405 120.811 120.400 0.011 0.000 2.175 219 D HA 0.245 4.891 4.640 0.009 0.000 0.248 219 D C -0.827 175.479 176.300 0.011 0.000 1.047 219 D CA -1.347 52.660 54.000 0.011 0.000 0.883 219 D CB 1.931 42.738 40.800 0.012 0.000 1.180 219 D HN -0.523 7.795 8.370 0.012 0.058 0.438 220 T N 3.934 118.494 114.554 0.010 0.000 2.909 220 T HA 0.473 4.993 4.350 0.010 -0.163 0.289 220 T C -1.123 173.583 174.700 0.010 0.000 1.005 220 T CA 0.419 62.525 62.100 0.010 0.000 1.084 220 T CB 1.304 70.177 68.868 0.008 0.000 0.975 220 T HN 0.175 8.420 8.240 0.009 0.000 0.509 221 V N 3.193 123.114 119.914 0.011 0.000 2.971 221 V HA 0.347 4.474 4.120 0.011 0.000 0.309 221 V C -2.445 173.655 176.094 0.011 0.000 1.130 221 V CA -3.126 59.181 62.300 0.012 0.000 0.964 221 V CB 4.836 36.668 31.823 0.015 0.000 1.029 221 V HN 0.875 9.071 8.190 0.011 0.000 0.427 222 E N 6.991 127.196 120.200 0.009 0.000 2.314 222 E HA 0.014 4.369 4.350 0.007 0.000 0.262 222 E C -0.903 175.702 176.600 0.008 0.000 1.093 222 E CA -1.383 55.021 56.400 0.007 0.000 0.908 222 E CB 1.899 31.602 29.700 0.005 0.000 1.091 222 E HN 0.252 8.617 8.360 0.009 0.000 0.425 223 A N 2.046 124.869 122.820 0.006 0.000 2.477 223 A HA -0.277 4.049 4.320 0.010 0.000 0.246 223 A C 0.316 177.903 177.584 0.004 0.000 1.078 223 A CA 1.047 53.087 52.037 0.006 0.000 0.770 223 A CB -0.236 18.766 19.000 0.004 0.000 1.011 223 A HN 0.386 8.539 8.150 0.005 0.000 0.494 224 G N 3.797 112.601 108.800 0.005 0.000 2.179 224 G HA2 -0.495 3.498 3.960 -0.001 0.000 0.260 224 G HA3 -0.495 3.461 3.960 -0.005 0.000 0.260 224 G C -0.308 174.593 174.900 0.002 0.000 0.977 224 G CA -0.182 44.918 45.100 -0.000 0.000 0.641 224 G HN 0.815 8.995 8.290 0.010 0.116 0.533 225 Q N -0.456 119.349 119.800 0.008 0.000 2.417 225 Q HA 0.001 4.343 4.340 0.004 0.000 0.241 225 Q C -0.506 175.504 176.000 0.017 0.000 1.008 225 Q CA -0.240 55.569 55.803 0.010 0.000 0.901 225 Q CB 1.167 29.912 28.738 0.011 0.000 1.259 225 Q HN -0.446 7.755 8.270 0.010 0.074 0.489 226 L N 1.959 123.192 121.223 0.017 0.000 2.360 226 L HA -0.191 4.293 4.340 0.034 -0.123 0.276 226 L C 0.568 177.461 176.870 0.038 0.000 1.121 226 L CA 1.162 56.018 54.840 0.027 0.000 0.845 226 L CB -0.620 41.451 42.059 0.020 0.000 1.143 226 L HN 0.448 8.685 8.230 0.011 0.000 0.452 227 L N 3.574 124.834 121.223 0.060 0.000 2.240 227 L HA 0.042 4.407 4.340 0.042 0.000 0.211 227 L C 0.085 176.988 176.870 0.055 0.000 1.106 227 L CA 1.903 56.778 54.840 0.059 0.000 0.793 227 L CB 0.513 42.616 42.059 0.073 0.000 0.927 227 L HN 0.718 8.995 8.230 0.079 0.000 0.446 228 T N -4.328 110.272 114.554 0.076 0.000 2.838 228 T HA 0.459 5.050 4.350 0.044 -0.214 0.292 228 T C -0.834 173.900 174.700 0.057 0.000 1.113 228 T CA -2.351 59.790 62.100 0.069 0.000 1.008 228 T CB 1.669 70.601 68.868 0.107 0.000 1.259 228 T HN -0.863 7.396 8.240 0.090 0.035 0.520 229 T N 1.234 115.814 114.554 0.044 0.000 2.793 229 T HA 0.079 4.444 4.350 0.026 0.000 0.299 229 T C -1.503 173.219 174.700 0.036 0.000 1.038 229 T CA -1.282 60.837 62.100 0.032 0.000 0.948 229 T CB 0.896 69.779 68.868 0.024 0.000 1.231 229 T HN 0.388 8.651 8.240 0.040 0.000 0.538 230 N N 0.260 118.973 118.700 0.022 0.000 2.501 230 N HA 0.243 4.994 4.740 0.017 0.000 0.245 230 N C -0.841 174.681 175.510 0.020 0.000 0.974 230 N CA -3.555 49.505 53.050 0.015 0.000 0.941 230 N CB 1.054 39.542 38.487 0.001 0.000 1.122 230 N HN -0.022 8.369 8.380 0.018 0.000 0.507 231 P HA -0.055 4.378 4.420 0.021 0.000 0.233 231 P C -0.751 176.561 177.300 0.020 0.000 1.167 231 P CA 0.273 63.387 63.100 0.023 0.000 0.770 231 P CB 0.403 32.120 31.700 0.027 0.000 0.837 232 N N 1.572 120.281 118.700 0.016 0.000 2.414 232 N HA -0.218 4.679 4.740 0.019 -0.146 0.268 232 N C 1.456 176.980 175.510 0.025 0.000 1.286 232 N CA 0.786 53.847 53.050 0.019 0.000 0.896 232 N CB 0.376 38.872 38.487 0.015 0.000 1.093 232 N HN -0.267 8.434 8.380 0.012 -0.314 0.480 233 V N 0.125 120.054 119.914 0.024 0.000 3.174 233 V HA 0.126 4.268 4.120 0.036 0.000 0.254 233 V C -0.877 175.231 176.094 0.024 0.000 1.120 233 V CA 0.058 62.374 62.300 0.027 0.000 1.114 233 V CB 0.543 32.378 31.823 0.020 0.000 0.756 233 V HN -0.179 8.023 8.190 0.020 0.000 0.467 234 G N -0.881 107.931 108.800 0.020 0.000 2.736 234 G HA2 0.425 4.378 3.960 -0.012 0.000 0.229 234 G HA3 0.425 4.555 3.960 -0.003 -0.171 0.229 234 G C -1.955 172.983 174.900 0.063 0.000 1.380 234 G CA -1.253 43.855 45.100 0.013 0.000 1.040 234 G HN -0.269 8.371 8.290 0.030 -0.332 0.568 235 G N -3.405 105.444 108.800 0.082 0.000 2.328 235 G HA2 0.108 4.218 3.960 0.168 0.000 0.295 235 G HA3 0.108 4.125 3.960 0.095 0.000 0.295 235 G C -3.192 171.795 174.900 0.145 0.000 1.413 235 G CA 0.279 45.454 45.100 0.124 0.000 0.817 235 G HN -0.309 8.013 8.290 0.054 0.000 0.546 236 F N 0.949 120.908 119.950 0.016 0.000 2.520 236 F HA 0.970 5.660 4.527 -0.042 -0.188 0.322 236 F C -2.048 173.758 175.800 0.009 0.000 1.103 236 F CA -2.697 55.297 58.000 -0.010 0.000 0.926 236 F CB 4.280 43.281 39.000 0.002 0.000 1.154 236 F HN 0.830 9.178 8.300 0.258 0.107 0.453 237 G N 4.028 112.297 108.800 -0.885 0.000 2.672 237 G HA2 0.471 4.240 3.960 -0.319 0.000 0.292 237 G HA3 0.471 4.507 3.960 -0.323 -0.269 0.292 237 G C -3.631 170.829 174.900 -0.734 0.000 1.375 237 G CA -1.051 43.715 45.100 -0.556 0.000 0.890 237 G HN 0.634 8.191 8.290 -1.223 0.000 0.476 238 Q N -0.820 118.783 119.800 -0.329 0.000 2.423 238 Q HA 0.861 5.221 4.340 -0.262 -0.178 0.278 238 Q C -1.414 174.534 176.000 -0.087 0.000 1.097 238 Q CA -1.463 54.221 55.803 -0.198 0.000 0.809 238 Q CB 4.729 33.433 28.738 -0.056 0.000 1.391 238 Q HN 0.207 8.355 8.270 -0.203 0.000 0.428 239 M N 1.330 120.910 119.600 -0.033 0.000 2.413 239 M HA 0.291 4.772 4.480 0.002 0.000 0.287 239 M C -3.050 173.271 176.300 0.034 0.000 1.186 239 M CA -0.095 55.204 55.300 -0.003 0.000 0.927 239 M CB 4.350 36.940 32.600 -0.017 0.000 1.715 239 M HN 0.451 8.728 8.290 -0.023 0.000 0.478 240 D N 2.451 122.875 120.400 0.040 0.000 2.269 240 D HA 1.078 5.911 4.640 0.024 -0.179 0.244 240 D C -0.186 176.106 176.300 -0.013 0.000 0.992 240 D CA -1.249 52.770 54.000 0.032 0.000 0.894 240 D CB 2.489 43.339 40.800 0.084 0.000 1.248 240 D HN 0.020 8.408 8.370 0.030 0.000 0.468 241 S N 0.508 116.175 115.700 -0.055 0.000 2.651 241 S HA 0.330 4.781 4.470 -0.031 0.000 0.279 241 S C -1.958 172.596 174.600 -0.077 0.000 1.148 241 S CA -1.422 56.750 58.200 -0.047 0.000 0.837 241 S CB 3.454 66.637 63.200 -0.029 0.000 1.138 241 S HN 0.613 8.861 8.310 -0.104 0.000 0.478 242 E N 0.061 120.224 120.200 -0.062 0.000 2.312 242 E HA 0.858 5.321 4.350 -0.084 -0.164 0.267 242 E C -1.859 174.698 176.600 -0.072 0.000 0.894 242 E CA -1.363 54.995 56.400 -0.070 0.000 0.773 242 E CB 4.154 33.819 29.700 -0.059 0.000 1.241 242 E HN 0.097 8.429 8.360 -0.047 0.000 0.432 243 I N 0.551 121.076 120.570 -0.075 0.000 2.802 243 I HA 0.406 4.651 4.170 -0.092 -0.130 0.298 243 I C -2.791 173.299 176.117 -0.044 0.000 1.176 243 I CA -1.879 59.368 61.300 -0.087 0.000 1.025 243 I CB 4.951 42.858 38.000 -0.154 0.000 1.243 243 I HN 0.786 8.960 8.210 -0.061 0.000 0.424 244 V N 6.997 126.887 119.914 -0.039 0.000 2.370 244 V HA 0.255 4.472 4.120 -0.046 -0.125 0.283 244 V C -1.904 174.242 176.094 0.086 0.000 1.023 244 V CA -1.084 61.212 62.300 -0.007 0.000 0.857 244 V CB 1.077 32.886 31.823 -0.025 0.000 0.985 244 V HN 0.468 8.619 8.190 -0.064 0.000 0.443 245 L N 8.335 129.682 121.223 0.206 0.000 2.295 245 L HA 0.393 5.016 4.340 0.291 -0.108 0.288 245 L C -1.985 175.118 176.870 0.388 0.000 1.079 245 L CA -0.963 54.084 54.840 0.346 0.000 0.830 245 L CB 0.359 42.706 42.059 0.480 0.000 1.200 245 L HN 0.916 9.137 8.230 0.153 0.101 0.438 246 Q N 7.387 127.344 119.800 0.261 0.000 2.205 246 Q HA 0.270 4.639 4.340 0.048 0.000 0.249 246 Q C -1.543 174.403 176.000 -0.090 0.000 0.948 246 Q CA -1.345 54.510 55.803 0.085 0.000 0.895 246 Q CB 2.914 31.660 28.738 0.013 0.000 1.249 246 Q HN 0.673 9.072 8.270 0.216 0.000 0.458 247 S N 2.308 117.763 115.700 -0.408 0.000 2.525 247 S HA 0.124 4.013 4.470 -0.968 0.000 0.278 247 S C -0.078 174.362 174.600 -0.266 0.000 1.234 247 S CA -0.576 57.234 58.200 -0.649 0.000 1.058 247 S CB 1.047 63.823 63.200 -0.706 0.000 0.983 247 S HN 0.121 8.255 8.310 -0.293 0.000 0.495 248 S N 5.452 121.045 115.700 -0.178 0.000 2.584 248 S HA 0.021 4.457 4.470 -0.057 0.000 0.270 248 S C -0.463 174.086 174.600 -0.084 0.000 1.346 248 S CA 0.807 58.958 58.200 -0.081 0.000 1.018 248 S CB 0.567 63.747 63.200 -0.034 0.000 0.899 248 S HN 0.078 8.270 8.310 -0.197 0.000 0.542 249 S N 0.000 115.669 115.700 -0.052 0.000 2.498 249 S HA 0.000 4.450 4.470 -0.034 0.000 0.327 249 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 249 S CB 0.000 63.176 63.200 -0.041 0.000 0.593 249 S HN 0.000 8.287 8.310 -0.038 0.000 0.517