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 2dgk_1_F DATA FIRST_RESID 29 DATA SEQUENCE SKRFPLHEMR DDVAFQIIND ELYLDGNARQ NLATFCQTWD DENVHKLMDL DATA SEQUENCE SINKNWIDKE EYPQSAAIDL RCVNMVADLW HAPAPKNGQA VGTNTIGSSE DATA SEQUENCE ACMLGGMAMK WRWRKRMEAA GKPTDKPNLV CGPVQICWHK FARYWDVELR DATA SEQUENCE EIPMRPGQLF MDPKRMIEAC DENTIGVVPT FGVTYTGNYE FPQPLHDALD DATA SEQUENCE KFQADTGIDI DMHIDAASGG FLAPFVAPDI VWDFRLPRVK SISASGHKFG DATA SEQUENCE LAPLGCGWVI WRDEEALPQE LVFNVDYLGG QIGTFAINFS RPAGQVIAQY DATA SEQUENCE YEFLRLGREG YTKVQNASYQ VAAYLADEIA KLGPYEFICT GRPDEGIPAV DATA SEQUENCE CFKLKDGEDP GYTLYDLSER LRLRGWQVPA FTLGGEATDI VVMRIMCRRG DATA SEQUENCE FEMDFAELLL EDYKASLKYL SDHPKLQGIA QQNSFKHT 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 29 S HA 0.000 nan 4.470 nan 0.000 0.327 29 S C 0.000 174.588 174.600 -0.020 0.000 1.055 29 S CA 0.000 58.188 58.200 -0.019 0.000 1.107 29 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 30 K N 1.134 121.530 120.400 -0.008 0.000 2.354 30 K HA 0.326 4.642 4.320 -0.007 0.000 0.194 30 K C 0.310 176.918 176.600 0.013 0.000 1.038 30 K CA 0.150 56.436 56.287 -0.001 0.000 1.052 30 K CB 0.429 32.931 32.500 0.003 0.000 0.861 30 K HN 0.238 nan 8.250 nan 0.000 0.535 31 R N 0.418 120.929 120.500 0.018 0.000 2.598 31 R HA 0.226 4.562 4.340 -0.007 0.000 0.279 31 R C -0.335 176.004 176.300 0.066 0.000 0.984 31 R CA -0.816 55.316 56.100 0.053 0.000 0.999 31 R CB 0.626 30.956 30.300 0.050 0.000 1.114 31 R HN -0.124 nan 8.270 nan 0.000 0.493 32 F N 3.268 123.208 119.950 -0.016 0.000 2.543 32 F HA 0.135 4.659 4.527 -0.005 0.000 0.375 32 F C -1.503 174.283 175.800 -0.022 0.000 1.075 32 F CA -1.468 56.521 58.000 -0.017 0.000 1.225 32 F CB 0.273 39.262 39.000 -0.020 0.000 1.099 32 F HN 0.293 nan 8.300 nan 0.000 0.561 33 P HA -0.059 nan 4.420 nan 0.000 0.264 33 P C 0.348 177.715 177.300 0.113 0.000 1.183 33 P CA -0.034 63.058 63.100 -0.013 0.000 0.763 33 P CB 0.679 32.308 31.700 -0.118 0.000 0.807 34 L N 3.120 124.353 121.223 0.017 0.000 2.127 34 L HA 0.076 4.412 4.340 -0.007 0.000 0.203 34 L C 0.771 177.494 176.870 -0.244 0.000 1.080 34 L CA 1.605 56.369 54.840 -0.125 0.000 0.768 34 L CB -0.432 41.472 42.059 -0.257 0.000 0.924 34 L HN 0.384 nan 8.230 nan 0.000 0.444 35 H N -0.218 118.883 119.070 0.052 0.000 2.595 35 H HA 0.377 4.929 4.556 -0.006 0.000 0.346 35 H C -0.403 174.944 175.328 0.032 0.000 1.181 35 H CA -0.818 55.254 56.048 0.039 0.000 1.242 35 H CB 0.950 30.727 29.762 0.024 0.000 1.652 35 H HN 0.177 nan 8.280 nan 0.000 0.548 36 E N 0.575 120.886 120.200 0.185 0.000 2.421 36 E HA 0.270 4.615 4.350 -0.007 0.000 0.253 36 E C -0.212 176.432 176.600 0.073 0.000 1.277 36 E CA -0.289 56.172 56.400 0.101 0.000 0.968 36 E CB 1.141 30.890 29.700 0.082 0.000 1.040 36 E HN 0.335 nan 8.360 nan 0.000 0.512 37 M N 0.305 119.933 119.600 0.047 0.000 2.465 37 M HA 0.299 4.775 4.480 -0.007 0.000 0.284 37 M C -1.443 174.875 176.300 0.031 0.000 1.212 37 M CA -0.514 54.806 55.300 0.032 0.000 0.910 37 M CB 1.757 34.372 32.600 0.024 0.000 1.725 37 M HN 0.326 nan 8.290 nan 0.000 0.477 38 R N 2.500 123.016 120.500 0.027 0.000 2.585 38 R HA 0.027 4.363 4.340 -0.007 0.000 0.275 38 R C 0.339 176.662 176.300 0.038 0.000 1.018 38 R CA -0.125 55.992 56.100 0.028 0.000 1.072 38 R CB 0.171 30.485 30.300 0.024 0.000 0.953 38 R HN 0.653 nan 8.270 nan 0.000 0.419 39 D N 2.480 122.901 120.400 0.036 0.000 2.127 39 D HA -0.217 4.418 4.640 -0.007 0.000 0.190 39 D C 0.891 177.239 176.300 0.080 0.000 1.000 39 D CA 1.747 55.774 54.000 0.045 0.000 0.839 39 D CB -0.027 40.785 40.800 0.020 0.000 0.955 39 D HN 0.555 nan 8.370 nan 0.000 0.446 40 D N 0.068 120.508 120.400 0.067 0.000 2.263 40 D HA -0.078 4.558 4.640 -0.007 0.000 0.208 40 D C 2.214 178.598 176.300 0.139 0.000 0.971 40 D CA 0.160 54.226 54.000 0.111 0.000 0.867 40 D CB -0.111 40.726 40.800 0.061 0.000 0.929 40 D HN 0.101 nan 8.370 nan 0.000 0.492 41 V N 0.924 120.889 119.914 0.085 0.000 2.379 41 V HA -0.149 3.967 4.120 -0.007 0.000 0.245 41 V C 2.462 178.592 176.094 0.059 0.000 1.044 41 V CA 1.551 63.888 62.300 0.061 0.000 1.036 41 V CB -0.632 31.212 31.823 0.034 0.000 0.664 41 V HN 0.183 nan 8.190 nan 0.000 0.453 42 A N -0.247 122.613 122.820 0.067 0.000 1.877 42 A HA -0.254 4.062 4.320 -0.007 0.000 0.216 42 A C 2.121 179.743 177.584 0.063 0.000 1.186 42 A CA 2.100 54.167 52.037 0.049 0.000 0.620 42 A CB -0.747 18.283 19.000 0.050 0.000 0.822 42 A HN 0.529 nan 8.150 nan 0.000 0.443 43 F N 0.593 120.538 119.950 -0.007 0.000 2.134 43 F HA -0.196 4.327 4.527 -0.007 0.000 0.299 43 F C 2.497 178.299 175.800 0.004 0.000 1.097 43 F CA 2.210 60.207 58.000 -0.005 0.000 1.264 43 F CB -0.233 38.764 39.000 -0.004 0.000 1.001 43 F HN 0.352 nan 8.300 nan 0.000 0.479 44 Q N 1.101 120.912 119.800 0.019 0.000 2.061 44 Q HA -0.214 4.122 4.340 -0.007 0.000 0.204 44 Q C 2.337 178.265 176.000 -0.120 0.000 0.984 44 Q CA 2.433 58.204 55.803 -0.053 0.000 0.846 44 Q CB -0.579 28.189 28.738 0.051 0.000 0.902 44 Q HN 0.624 nan 8.270 nan 0.000 0.421 45 I N 0.465 120.987 120.570 -0.081 0.000 2.179 45 I HA -0.312 3.853 4.170 -0.007 0.000 0.242 45 I C 2.486 178.536 176.117 -0.112 0.000 1.088 45 I CA 1.110 62.366 61.300 -0.074 0.000 1.357 45 I CB -0.313 37.658 38.000 -0.049 0.000 1.051 45 I HN 0.171 nan 8.210 nan 0.000 0.409 46 I N 0.654 121.127 120.570 -0.162 0.000 2.202 46 I HA -0.295 3.871 4.170 -0.007 0.000 0.242 46 I C 2.367 178.337 176.117 -0.245 0.000 1.091 46 I CA 1.577 62.768 61.300 -0.182 0.000 1.368 46 I CB -0.582 37.315 38.000 -0.171 0.000 1.058 46 I HN 0.309 nan 8.210 nan 0.000 0.410 47 N N 1.259 119.697 118.700 -0.437 0.000 2.104 47 N HA -0.240 4.496 4.740 -0.007 0.000 0.190 47 N C 1.463 176.929 175.510 -0.074 0.000 1.024 47 N CA 1.873 54.670 53.050 -0.421 0.000 0.853 47 N CB -0.105 37.958 38.487 -0.707 0.000 1.008 47 N HN 0.199 nan 8.380 nan 0.000 0.424 48 D N 0.093 120.494 120.400 0.002 0.000 2.144 48 D HA -0.104 4.532 4.640 -0.007 0.000 0.200 48 D C 1.625 178.021 176.300 0.161 0.000 0.978 48 D CA 0.820 54.912 54.000 0.154 0.000 0.833 48 D CB -0.227 40.578 40.800 0.009 0.000 0.961 48 D HN 0.538 nan 8.370 nan 0.000 0.470 49 E N 0.274 120.490 120.200 0.026 0.000 2.106 49 E HA -0.064 4.282 4.350 -0.007 0.000 0.192 49 E C 2.229 178.831 176.600 0.004 0.000 0.984 49 E CA 0.294 56.697 56.400 0.006 0.000 0.806 49 E CB -0.069 29.608 29.700 -0.040 0.000 0.750 49 E HN 0.277 nan 8.360 nan 0.000 0.458 50 L N 0.289 121.475 121.223 -0.060 0.000 2.349 50 L HA -0.184 4.151 4.340 -0.007 0.000 0.220 50 L C 1.726 178.506 176.870 -0.151 0.000 1.130 50 L CA 0.830 55.588 54.840 -0.137 0.000 0.791 50 L CB -0.443 41.480 42.059 -0.227 0.000 0.918 50 L HN 0.206 nan 8.230 nan 0.000 0.444 51 Y N -0.426 119.831 120.300 -0.071 0.000 2.574 51 Y HA -0.131 4.415 4.550 -0.007 0.000 0.294 51 Y C 2.145 178.014 175.900 -0.052 0.000 1.142 51 Y CA 0.576 58.642 58.100 -0.057 0.000 1.314 51 Y CB -0.273 38.154 38.460 -0.055 0.000 0.991 51 Y HN 0.155 nan 8.280 nan 0.000 0.555 52 L N -0.711 120.553 121.223 0.068 0.000 2.478 52 L HA -0.061 4.275 4.340 -0.007 0.000 0.223 52 L C 0.262 177.126 176.870 -0.010 0.000 1.140 52 L CA 0.307 55.161 54.840 0.023 0.000 0.842 52 L CB -0.190 41.872 42.059 0.004 0.000 0.953 52 L HN 0.049 nan 8.230 nan 0.000 0.452 53 D N 0.089 120.469 120.400 -0.033 0.000 2.313 53 D HA 0.282 4.917 4.640 -0.007 0.000 0.247 53 D C 0.410 176.686 176.300 -0.040 0.000 1.094 53 D CA 0.149 54.119 54.000 -0.051 0.000 0.925 53 D CB 1.429 42.182 40.800 -0.077 0.000 1.188 53 D HN 0.034 nan 8.370 nan 0.000 0.430 54 G N -0.112 108.665 108.800 -0.038 0.000 2.580 54 G HA2 0.197 4.153 3.960 -0.007 0.000 0.278 54 G HA3 0.197 4.153 3.960 -0.007 0.000 0.278 54 G C 0.699 175.579 174.900 -0.034 0.000 1.212 54 G CA -0.515 44.567 45.100 -0.029 0.000 0.939 54 G HN 0.540 nan 8.290 nan 0.000 0.513 55 N N -1.628 117.057 118.700 -0.025 0.000 2.236 55 N HA 0.298 5.034 4.740 -0.007 0.000 0.196 55 N C 1.277 176.781 175.510 -0.009 0.000 1.114 55 N CA 0.982 54.019 53.050 -0.021 0.000 0.859 55 N CB 0.627 39.107 38.487 -0.012 0.000 0.982 55 N HN 1.138 nan 8.380 nan 0.000 0.493 56 A N -0.465 122.349 122.820 -0.009 0.000 3.420 56 A HA -0.347 3.969 4.320 -0.007 0.000 0.269 56 A C 1.597 179.188 177.584 0.012 0.000 1.122 56 A CA 1.494 53.531 52.037 0.000 0.000 1.023 56 A CB -2.165 16.833 19.000 -0.004 0.000 1.099 56 A HN 0.292 nan 8.150 nan 0.000 0.860 57 R N -0.332 120.181 120.500 0.023 0.000 2.152 57 R HA -0.020 4.316 4.340 -0.007 0.000 0.232 57 R C 1.951 178.299 176.300 0.080 0.000 1.117 57 R CA 1.987 58.122 56.100 0.058 0.000 0.981 57 R CB -0.239 30.119 30.300 0.097 0.000 0.870 57 R HN 0.829 nan 8.270 nan 0.000 0.451 58 Q N -0.280 119.525 119.800 0.008 0.000 2.247 58 Q HA 0.116 4.452 4.340 -0.007 0.000 0.204 58 Q C -0.365 175.726 176.000 0.152 0.000 0.872 58 Q CA -0.273 55.526 55.803 -0.007 0.000 0.951 58 Q CB 0.393 28.885 28.738 -0.409 0.000 1.099 58 Q HN 0.127 nan 8.270 nan 0.000 0.501 59 N N 1.253 119.996 118.700 0.072 0.000 2.406 59 N HA 0.094 4.830 4.740 -0.007 0.000 0.251 59 N C -0.104 175.409 175.510 0.005 0.000 1.069 59 N CA 0.092 53.181 53.050 0.065 0.000 0.947 59 N CB 0.702 39.214 38.487 0.042 0.000 1.111 59 N HN 0.231 nan 8.380 nan 0.000 0.497 60 L N 2.562 123.788 121.223 0.005 0.000 2.741 60 L HA 0.272 4.607 4.340 -0.007 0.000 0.237 60 L C 1.583 178.399 176.870 -0.091 0.000 1.178 60 L CA -0.117 54.645 54.840 -0.130 0.000 0.973 60 L CB 0.130 42.080 42.059 -0.182 0.000 1.255 60 L HN 0.493 nan 8.230 nan 0.000 0.498 61 A N -0.774 122.041 122.820 -0.008 0.000 1.973 61 A HA 0.052 4.368 4.320 -0.007 0.000 0.210 61 A C 1.342 178.936 177.584 0.017 0.000 1.200 61 A CA 0.515 52.573 52.037 0.034 0.000 0.707 61 A CB 0.043 19.124 19.000 0.135 0.000 0.862 61 A HN 0.242 nan 8.150 nan 0.000 0.461 62 T N -1.615 112.972 114.554 0.054 0.000 2.899 62 T HA 0.376 4.722 4.350 -0.007 0.000 0.295 62 T C 0.320 174.988 174.700 -0.053 0.000 1.033 62 T CA -0.119 62.046 62.100 0.109 0.000 1.084 62 T CB 0.101 69.047 68.868 0.130 0.000 0.979 62 T HN 0.182 nan 8.240 nan 0.000 0.532 63 F N 1.004 120.834 119.950 -0.200 0.000 2.656 63 F HA 0.298 4.821 4.527 -0.007 0.000 0.291 63 F C 1.689 177.316 175.800 -0.288 0.000 1.122 63 F CA -0.527 57.309 58.000 -0.274 0.000 1.427 63 F CB -0.131 38.666 39.000 -0.337 0.000 1.125 63 F HN 0.437 nan 8.300 nan 0.000 0.583 64 C N 1.640 120.933 119.300 -0.012 0.000 2.604 64 C HA 0.208 4.664 4.460 -0.007 0.000 0.396 64 C C 0.699 175.648 174.990 -0.067 0.000 1.282 64 C CA -1.177 57.814 59.018 -0.045 0.000 2.292 64 C CB 0.041 27.725 27.740 -0.093 0.000 2.633 64 C HN 0.203 nan 8.230 nan 0.000 0.620 65 Q N 1.453 121.231 119.800 -0.038 0.000 2.286 65 Q HA 0.109 4.445 4.340 -0.007 0.000 0.290 65 Q C 1.049 177.055 176.000 0.010 0.000 1.049 65 Q CA 0.819 56.617 55.803 -0.008 0.000 0.923 65 Q CB 0.522 29.284 28.738 0.040 0.000 1.183 65 Q HN 1.003 nan 8.270 nan 0.000 0.383 66 T N -2.399 112.184 114.554 0.049 0.000 3.144 66 T HA 0.127 4.472 4.350 -0.007 0.000 0.290 66 T C -0.148 174.631 174.700 0.132 0.000 0.966 66 T CA -0.578 61.555 62.100 0.055 0.000 0.907 66 T CB 0.005 68.889 68.868 0.026 0.000 1.152 66 T HN 0.442 nan 8.240 nan 0.000 0.532 67 W N 2.936 124.214 121.300 -0.036 0.000 2.316 67 W HA 0.564 5.220 4.660 -0.007 0.000 0.321 67 W C -1.121 175.409 176.519 0.017 0.000 1.203 67 W CA -0.614 56.721 57.345 -0.016 0.000 1.214 67 W CB 0.767 30.210 29.460 -0.028 0.000 1.169 67 W HN 0.003 nan 8.180 nan 0.000 0.561 68 D N 3.845 123.926 120.400 -0.530 0.000 2.193 68 D HA 0.098 4.734 4.640 -0.007 0.000 0.244 68 D C -1.207 174.607 176.300 -0.810 0.000 1.064 68 D CA -0.036 53.711 54.000 -0.422 0.000 0.845 68 D CB 1.628 42.301 40.800 -0.211 0.000 1.148 68 D HN 0.252 nan 8.370 nan 0.000 0.464 69 D N 1.571 121.736 120.400 -0.390 0.000 2.549 69 D HA 0.031 4.667 4.640 -0.007 0.000 0.251 69 D C 0.737 176.984 176.300 -0.089 0.000 1.153 69 D CA -0.426 53.361 54.000 -0.355 0.000 0.861 69 D CB 1.637 42.355 40.800 -0.136 0.000 1.207 69 D HN 0.357 nan 8.370 nan 0.000 0.543 70 E N 2.882 122.997 120.200 -0.141 0.000 2.130 70 E HA -0.237 4.109 4.350 -0.007 0.000 0.196 70 E C 0.901 177.454 176.600 -0.080 0.000 0.998 70 E CA 1.152 57.488 56.400 -0.107 0.000 0.806 70 E CB 0.303 29.931 29.700 -0.121 0.000 0.738 70 E HN 0.392 nan 8.360 nan 0.000 0.459 71 N N -0.012 118.603 118.700 -0.141 0.000 2.188 71 N HA -0.128 4.608 4.740 -0.007 0.000 0.184 71 N C 1.880 177.173 175.510 -0.362 0.000 1.018 71 N CA 1.021 53.895 53.050 -0.294 0.000 0.858 71 N CB -0.265 37.925 38.487 -0.496 0.000 0.989 71 N HN 0.067 nan 8.380 nan 0.000 0.426 72 V N 1.537 121.278 119.914 -0.289 0.000 2.343 72 V HA -0.208 3.908 4.120 -0.007 0.000 0.247 72 V C 2.156 178.152 176.094 -0.163 0.000 1.051 72 V CA 1.406 63.575 62.300 -0.220 0.000 1.036 72 V CB -0.614 31.144 31.823 -0.108 0.000 0.654 72 V HN 0.420 nan 8.190 nan 0.000 0.451 73 H N 0.497 119.474 119.070 -0.155 0.000 2.321 73 H HA -0.136 4.416 4.556 -0.007 0.000 0.300 73 H C 2.436 177.699 175.328 -0.110 0.000 1.087 73 H CA 1.816 57.791 56.048 -0.120 0.000 1.319 73 H CB 0.078 29.769 29.762 -0.119 0.000 1.379 73 H HN 0.437 nan 8.280 nan 0.000 0.501 74 K N 0.453 120.853 120.400 -0.000 0.000 2.057 74 K HA -0.087 4.229 4.320 -0.007 0.000 0.207 74 K C 2.444 179.009 176.600 -0.058 0.000 1.049 74 K CA 0.729 56.995 56.287 -0.036 0.000 0.931 74 K CB -0.043 32.422 32.500 -0.058 0.000 0.714 74 K HN 0.160 nan 8.250 nan 0.000 0.440 75 L N 0.461 121.624 121.223 -0.099 0.000 2.046 75 L HA -0.181 4.155 4.340 -0.007 0.000 0.208 75 L C 2.576 179.410 176.870 -0.059 0.000 1.077 75 L CA 0.869 55.660 54.840 -0.081 0.000 0.747 75 L CB -0.328 41.663 42.059 -0.114 0.000 0.896 75 L HN 0.239 nan 8.230 nan 0.000 0.432 76 M N -0.669 118.883 119.600 -0.080 0.000 2.175 76 M HA -0.220 4.256 4.480 -0.007 0.000 0.264 76 M C 1.905 178.171 176.300 -0.056 0.000 1.063 76 M CA 1.631 56.884 55.300 -0.078 0.000 1.119 76 M CB -1.117 31.409 32.600 -0.124 0.000 1.377 76 M HN 0.221 nan 8.290 nan 0.000 0.415 77 D N 0.429 120.803 120.400 -0.043 0.000 2.144 77 D HA -0.114 4.522 4.640 -0.007 0.000 0.199 77 D C 2.014 178.300 176.300 -0.023 0.000 0.984 77 D CA 0.994 54.979 54.000 -0.025 0.000 0.834 77 D CB 0.014 40.808 40.800 -0.010 0.000 0.955 77 D HN 0.302 nan 8.370 nan 0.000 0.465 78 L N -0.341 120.869 121.223 -0.022 0.000 2.376 78 L HA 0.005 4.341 4.340 -0.007 0.000 0.219 78 L C 1.668 178.530 176.870 -0.013 0.000 1.133 78 L CA 0.695 55.529 54.840 -0.011 0.000 0.816 78 L CB 0.053 42.109 42.059 -0.005 0.000 0.933 78 L HN -0.028 nan 8.230 nan 0.000 0.449 79 S N -0.837 114.845 115.700 -0.030 0.000 2.554 79 S HA 0.143 4.609 4.470 -0.007 0.000 0.226 79 S C 1.670 176.227 174.600 -0.071 0.000 0.980 79 S CA -0.289 57.881 58.200 -0.051 0.000 0.939 79 S CB 0.186 63.360 63.200 -0.044 0.000 0.832 79 S HN 0.306 nan 8.310 nan 0.000 0.486 80 I N 2.169 122.708 120.570 -0.052 0.000 2.315 80 I HA -0.248 3.918 4.170 -0.007 0.000 0.251 80 I C 0.804 176.884 176.117 -0.062 0.000 1.125 80 I CA 1.349 62.619 61.300 -0.050 0.000 1.392 80 I CB 0.098 38.080 38.000 -0.031 0.000 1.065 80 I HN 0.203 nan 8.210 nan 0.000 0.424 81 N N 0.892 119.549 118.700 -0.071 0.000 2.205 81 N HA 0.104 4.840 4.740 -0.007 0.000 0.201 81 N C -0.370 174.979 175.510 -0.268 0.000 1.128 81 N CA 0.135 53.135 53.050 -0.084 0.000 0.867 81 N CB 0.280 38.767 38.487 0.001 0.000 0.996 81 N HN 0.322 nan 8.380 nan 0.000 0.503 82 K N 1.644 121.813 120.400 -0.385 0.000 2.338 82 K HA 0.108 4.424 4.320 -0.007 0.000 0.290 82 K C -0.115 176.093 176.600 -0.653 0.000 1.069 82 K CA -0.311 55.461 56.287 -0.857 0.000 0.941 82 K CB 0.388 32.623 32.500 -0.443 0.000 1.023 82 K HN -0.095 nan 8.250 nan 0.000 0.477 83 N N 2.820 120.997 118.700 -0.872 0.000 2.406 83 N HA -0.030 4.706 4.740 -0.007 0.000 0.251 83 N C 0.351 175.823 175.510 -0.063 0.000 1.069 83 N CA -0.393 52.515 53.050 -0.237 0.000 0.947 83 N CB 0.384 38.862 38.487 -0.016 0.000 1.111 83 N HN 0.629 nan 8.380 nan 0.000 0.497 84 W N 4.870 126.073 121.300 -0.161 0.000 2.331 84 W HA -0.162 4.494 4.660 -0.008 0.000 0.291 84 W C 1.428 177.891 176.519 -0.094 0.000 1.214 84 W CA 0.845 58.124 57.345 -0.111 0.000 1.228 84 W CB -0.061 29.337 29.460 -0.103 0.000 1.135 84 W HN 0.634 nan 8.180 nan 0.000 0.537 85 I N 0.338 120.838 120.570 -0.117 0.000 3.226 85 I HA -0.013 4.153 4.170 -0.007 0.000 0.277 85 I C 0.477 176.479 176.117 -0.191 0.000 1.243 85 I CA 0.877 61.954 61.300 -0.372 0.000 1.459 85 I CB -0.489 37.158 38.000 -0.588 0.000 1.093 85 I HN -0.237 nan 8.210 nan 0.000 0.453 86 D N 1.041 121.420 120.400 -0.035 0.000 2.522 86 D HA 0.061 4.697 4.640 -0.007 0.000 0.218 86 D C 0.957 177.263 176.300 0.009 0.000 1.149 86 D CA 0.083 54.154 54.000 0.119 0.000 0.981 86 D CB 0.361 41.315 40.800 0.258 0.000 1.041 86 D HN 0.234 nan 8.370 nan 0.000 0.518 87 K N 1.290 121.505 120.400 -0.308 0.000 2.439 87 K HA -0.074 4.241 4.320 -0.007 0.000 0.197 87 K C 1.536 177.948 176.600 -0.313 0.000 1.041 87 K CA 0.395 56.420 56.287 -0.437 0.000 0.970 87 K CB 0.634 32.653 32.500 -0.802 0.000 0.773 87 K HN 0.413 nan 8.250 nan 0.000 0.479 88 E N 1.287 121.375 120.200 -0.186 0.000 2.042 88 E HA -0.178 4.168 4.350 -0.007 0.000 0.189 88 E C 1.802 178.321 176.600 -0.134 0.000 0.974 88 E CA 0.874 57.225 56.400 -0.082 0.000 0.806 88 E CB 0.251 30.001 29.700 0.083 0.000 0.769 88 E HN 0.118 nan 8.360 nan 0.000 0.451 89 E N -0.468 119.607 120.200 -0.208 0.000 2.158 89 E HA -0.091 4.255 4.350 -0.007 0.000 0.191 89 E C -0.272 175.905 176.600 -0.704 0.000 0.982 89 E CA 0.846 56.951 56.400 -0.493 0.000 0.823 89 E CB 0.104 29.385 29.700 -0.698 0.000 0.766 89 E HN 0.303 nan 8.360 nan 0.000 0.468 90 Y N 0.274 120.542 120.300 -0.052 0.000 2.638 90 Y HA 0.309 4.854 4.550 -0.007 0.000 0.367 90 Y C -1.821 174.027 175.900 -0.087 0.000 1.001 90 Y CA -2.240 55.828 58.100 -0.053 0.000 1.133 90 Y CB 1.051 39.487 38.460 -0.040 0.000 1.199 90 Y HN 0.090 nan 8.280 nan 0.000 0.642 91 P HA -0.223 nan 4.420 nan 0.000 0.217 91 P C 1.384 178.665 177.300 -0.031 0.000 1.150 91 P CA 1.344 64.410 63.100 -0.057 0.000 0.832 91 P CB 0.699 32.359 31.700 -0.067 0.000 0.787 92 Q N 0.318 120.122 119.800 0.006 0.000 2.187 92 Q HA -0.017 4.319 4.340 -0.007 0.000 0.199 92 Q C 2.382 178.386 176.000 0.007 0.000 0.957 92 Q CA 1.494 57.301 55.803 0.006 0.000 0.857 92 Q CB -0.981 27.773 28.738 0.027 0.000 0.929 92 Q HN 0.085 nan 8.270 nan 0.000 0.453 93 S N -0.009 115.717 115.700 0.043 0.000 2.368 93 S HA -0.121 4.345 4.470 -0.007 0.000 0.225 93 S C 1.861 176.465 174.600 0.007 0.000 1.030 93 S CA 0.975 59.201 58.200 0.043 0.000 0.999 93 S CB -0.483 62.756 63.200 0.065 0.000 0.844 93 S HN 0.586 nan 8.310 nan 0.000 0.459 94 A N 1.600 124.395 122.820 -0.042 0.000 1.902 94 A HA 0.083 4.399 4.320 -0.007 0.000 0.217 94 A C 2.361 179.902 177.584 -0.072 0.000 1.181 94 A CA 1.755 53.726 52.037 -0.110 0.000 0.623 94 A CB -1.137 17.753 19.000 -0.183 0.000 0.818 94 A HN 0.514 nan 8.150 nan 0.000 0.443 95 A N -0.053 122.727 122.820 -0.066 0.000 1.877 95 A HA -0.111 4.205 4.320 -0.007 0.000 0.216 95 A C 2.124 179.650 177.584 -0.097 0.000 1.186 95 A CA 1.599 53.595 52.037 -0.067 0.000 0.620 95 A CB -0.635 18.330 19.000 -0.058 0.000 0.822 95 A HN 0.503 nan 8.150 nan 0.000 0.443 96 I N -0.406 120.086 120.570 -0.130 0.000 2.286 96 I HA -0.225 3.940 4.170 -0.007 0.000 0.248 96 I C 2.253 178.291 176.117 -0.132 0.000 1.115 96 I CA 1.643 62.774 61.300 -0.282 0.000 1.392 96 I CB -0.351 37.489 38.000 -0.267 0.000 1.065 96 I HN 0.331 nan 8.210 nan 0.000 0.418 97 D N 1.182 121.605 120.400 0.039 0.000 2.097 97 D HA -0.165 4.471 4.640 -0.007 0.000 0.195 97 D C 2.268 178.683 176.300 0.191 0.000 0.989 97 D CA 1.399 55.532 54.000 0.222 0.000 0.827 97 D CB -0.091 40.879 40.800 0.284 0.000 0.966 97 D HN 0.226 nan 8.370 nan 0.000 0.456 98 L N -0.125 121.149 121.223 0.085 0.000 2.083 98 L HA -0.121 4.215 4.340 -0.007 0.000 0.209 98 L C 2.715 179.608 176.870 0.039 0.000 1.083 98 L CA 1.026 55.908 54.840 0.071 0.000 0.752 98 L CB -0.316 41.757 42.059 0.023 0.000 0.899 98 L HN 0.038 nan 8.230 nan 0.000 0.433 99 R N -1.076 119.414 120.500 -0.017 0.000 2.092 99 R HA -0.136 4.200 4.340 -0.007 0.000 0.231 99 R C 2.413 178.738 176.300 0.043 0.000 1.119 99 R CA 1.513 57.605 56.100 -0.014 0.000 0.970 99 R CB -0.660 29.575 30.300 -0.108 0.000 0.864 99 R HN 0.392 nan 8.270 nan 0.000 0.440 100 C N 0.064 119.399 119.300 0.058 0.000 2.429 100 C HA -0.063 4.393 4.460 -0.007 0.000 0.277 100 C C 2.718 177.598 174.990 -0.184 0.000 1.262 100 C CA 0.471 59.515 59.018 0.042 0.000 1.733 100 C CB -0.596 27.163 27.740 0.032 0.000 2.010 100 C HN 0.294 nan 8.230 nan 0.000 0.483 101 V N 1.843 121.730 119.914 -0.045 0.000 2.332 101 V HA -0.228 3.887 4.120 -0.007 0.000 0.248 101 V C 2.259 178.315 176.094 -0.064 0.000 1.055 101 V CA 2.080 64.380 62.300 0.000 0.000 1.038 101 V CB -0.682 31.255 31.823 0.190 0.000 0.651 101 V HN 0.547 nan 8.190 nan 0.000 0.450 102 N N -0.252 118.426 118.700 -0.037 0.000 2.120 102 N HA -0.122 4.614 4.740 -0.007 0.000 0.188 102 N C 1.836 177.266 175.510 -0.132 0.000 1.024 102 N CA 1.657 54.672 53.050 -0.057 0.000 0.852 102 N CB -0.304 38.169 38.487 -0.024 0.000 1.003 102 N HN 0.436 nan 8.380 nan 0.000 0.424 103 M N 0.092 119.597 119.600 -0.157 0.000 2.117 103 M HA -0.105 4.371 4.480 -0.007 0.000 0.262 103 M C 2.101 178.123 176.300 -0.462 0.000 1.065 103 M CA 1.063 56.199 55.300 -0.274 0.000 1.114 103 M CB -0.155 32.287 32.600 -0.262 0.000 1.361 103 M HN -0.098 nan 8.290 nan 0.000 0.408 104 V N 0.289 119.878 119.914 -0.542 0.000 2.358 104 V HA -0.232 3.883 4.120 -0.007 0.000 0.246 104 V C 2.620 178.265 176.094 -0.748 0.000 1.047 104 V CA 1.902 63.706 62.300 -0.827 0.000 1.035 104 V CB -1.261 30.006 31.823 -0.926 0.000 0.658 104 V HN 0.512 nan 8.190 nan 0.000 0.452 105 A N 0.395 122.997 122.820 -0.365 0.000 1.908 105 A HA -0.323 3.993 4.320 -0.007 0.000 0.218 105 A C 2.061 179.570 177.584 -0.125 0.000 1.181 105 A CA 2.309 54.275 52.037 -0.118 0.000 0.627 105 A CB -0.743 18.223 19.000 -0.058 0.000 0.818 105 A HN 0.616 nan 8.150 nan 0.000 0.445 106 D N -0.675 119.599 120.400 -0.210 0.000 2.117 106 D HA -0.148 4.488 4.640 -0.007 0.000 0.197 106 D C 1.719 177.828 176.300 -0.319 0.000 0.987 106 D CA 1.277 55.148 54.000 -0.214 0.000 0.829 106 D CB -0.239 40.441 40.800 -0.199 0.000 0.961 106 D HN 0.241 nan 8.370 nan 0.000 0.460 107 L N -0.481 120.496 121.223 -0.411 0.000 2.131 107 L HA -0.056 4.280 4.340 -0.007 0.000 0.210 107 L C 1.081 177.784 176.870 -0.278 0.000 1.092 107 L CA 1.200 55.770 54.840 -0.450 0.000 0.759 107 L CB -0.372 41.326 42.059 -0.602 0.000 0.903 107 L HN 0.239 nan 8.230 nan 0.000 0.435 108 W N -0.613 120.506 121.300 -0.302 0.000 3.330 108 W HA 0.239 4.895 4.660 -0.007 0.000 0.348 108 W C 0.548 177.006 176.519 -0.101 0.000 1.205 108 W CA -0.139 57.022 57.345 -0.306 0.000 1.841 108 W CB -1.370 27.910 29.460 -0.299 0.000 1.084 108 W HN 0.428 nan 8.180 nan 0.000 0.665 109 H N -1.454 117.664 119.070 0.080 0.000 2.862 109 H HA -0.104 4.447 4.556 -0.007 0.000 0.290 109 H C 0.959 176.358 175.328 0.118 0.000 1.211 109 H CA 0.412 56.484 56.048 0.039 0.000 1.140 109 H CB -1.522 28.204 29.762 -0.059 0.000 1.341 109 H HN 0.068 nan 8.280 nan 0.000 0.392 110 A N 0.620 123.566 122.820 0.210 0.000 2.483 110 A HA 0.392 4.707 4.320 -0.007 0.000 0.238 110 A C -1.568 175.964 177.584 -0.088 0.000 1.070 110 A CA -0.880 51.086 52.037 -0.119 0.000 0.770 110 A CB 0.255 19.073 19.000 -0.305 0.000 1.008 110 A HN 0.156 nan 8.150 nan 0.000 0.497 111 P HA 0.251 nan 4.420 nan 0.000 0.267 111 P C -0.105 177.158 177.300 -0.061 0.000 1.200 111 P CA 0.386 63.447 63.100 -0.066 0.000 0.772 111 P CB 0.500 32.159 31.700 -0.068 0.000 0.855 112 A N 4.757 127.555 122.820 -0.035 0.000 2.566 112 A HA 0.204 4.520 4.320 -0.007 0.000 0.245 112 A C -1.796 175.770 177.584 -0.030 0.000 1.056 112 A CA -0.542 51.477 52.037 -0.030 0.000 0.757 112 A CB -1.389 17.600 19.000 -0.019 0.000 0.979 112 A HN 0.408 nan 8.150 nan 0.000 0.508 113 P HA 0.184 nan 4.420 nan 0.000 0.276 113 P C 0.683 177.976 177.300 -0.012 0.000 1.230 113 P CA -0.396 62.692 63.100 -0.019 0.000 0.776 113 P CB 0.899 32.592 31.700 -0.012 0.000 0.888 114 K N 3.112 123.506 120.400 -0.010 0.000 2.097 114 K HA -0.162 4.154 4.320 -0.007 0.000 0.206 114 K C 1.012 177.610 176.600 -0.004 0.000 1.049 114 K CA 1.585 57.867 56.287 -0.007 0.000 0.933 114 K CB -0.051 32.446 32.500 -0.006 0.000 0.717 114 K HN 0.469 nan 8.250 nan 0.000 0.442 115 N N -0.939 117.760 118.700 -0.002 0.000 2.270 115 N HA 0.068 4.804 4.740 -0.007 0.000 0.198 115 N C 0.802 176.313 175.510 0.001 0.000 1.117 115 N CA 0.729 53.779 53.050 0.000 0.000 0.845 115 N CB 0.660 39.149 38.487 0.002 0.000 0.980 115 N HN 0.302 nan 8.380 nan 0.000 0.486 116 G N -0.688 108.111 108.800 -0.001 0.000 2.179 116 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.260 116 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.260 116 G C -0.231 174.671 174.900 0.002 0.000 0.977 116 G CA 0.443 45.542 45.100 -0.001 0.000 0.641 116 G HN 0.669 nan 8.290 nan 0.000 0.533 117 Q N 0.438 120.243 119.800 0.008 0.000 2.309 117 Q HA 0.766 5.101 4.340 -0.007 0.000 0.270 117 Q C 0.201 176.218 176.000 0.029 0.000 1.023 117 Q CA 0.354 56.169 55.803 0.019 0.000 0.758 117 Q CB 1.264 30.017 28.738 0.026 0.000 1.247 117 Q HN 1.186 nan 8.270 nan 0.000 0.455 118 A N 2.868 125.707 122.820 0.030 0.000 2.466 118 A HA 0.404 4.719 4.320 -0.007 0.000 0.238 118 A C -0.442 177.205 177.584 0.105 0.000 1.074 118 A CA -0.309 51.753 52.037 0.042 0.000 0.774 118 A CB 0.453 19.467 19.000 0.023 0.000 1.015 118 A HN 0.601 nan 8.150 nan 0.000 0.498 119 V N 2.200 122.198 119.914 0.140 0.000 2.368 119 V HA 0.621 4.737 4.120 -0.007 0.000 0.266 119 V C 0.847 177.205 176.094 0.441 0.000 1.045 119 V CA 0.889 63.334 62.300 0.243 0.000 0.899 119 V CB -0.095 31.858 31.823 0.216 0.000 1.006 119 V HN 1.406 nan 8.190 nan 0.000 0.470 120 G N 3.000 112.085 108.800 0.475 0.000 2.441 120 G HA2 0.615 4.570 3.960 -0.007 0.000 0.294 120 G HA3 0.615 4.570 3.960 -0.007 0.000 0.294 120 G C -1.108 174.125 174.900 0.556 0.000 1.393 120 G CA -0.022 45.440 45.100 0.603 0.000 0.796 120 G HN 0.656 nan 8.290 nan 0.000 0.494 121 T N -0.637 114.261 114.554 0.574 0.000 2.889 121 T HA 0.492 4.837 4.350 -0.007 0.000 0.315 121 T C -1.127 173.833 174.700 0.433 0.000 1.291 121 T CA -0.700 61.716 62.100 0.527 0.000 1.028 121 T CB 1.688 70.861 68.868 0.509 0.000 1.235 121 T HN 0.774 nan 8.240 nan 0.000 0.491 122 N N 1.383 120.276 118.700 0.321 0.000 2.513 122 N HA 0.533 5.269 4.740 -0.007 0.000 0.274 122 N C -0.341 174.936 175.510 -0.387 0.000 1.189 122 N CA 0.024 52.883 53.050 -0.317 0.000 0.975 122 N CB 1.385 39.629 38.487 -0.406 0.000 1.157 122 N HN 0.876 nan 8.380 nan 0.000 0.465 123 T N -0.546 113.670 114.554 -0.564 0.000 2.778 123 T HA 0.368 4.714 4.350 -0.007 0.000 0.293 123 T C 1.377 175.795 174.700 -0.471 0.000 1.144 123 T CA -0.787 61.041 62.100 -0.452 0.000 1.010 123 T CB 0.699 69.414 68.868 -0.255 0.000 1.325 123 T HN 0.247 nan 8.240 nan 0.000 0.515 124 I N 0.757 121.130 120.570 -0.328 0.000 2.546 124 I HA 0.267 4.433 4.170 -0.007 0.000 0.255 124 I C 1.456 177.508 176.117 -0.108 0.000 1.163 124 I CA 1.482 62.648 61.300 -0.222 0.000 1.457 124 I CB -1.251 36.663 38.000 -0.143 0.000 1.092 124 I HN 1.025 nan 8.210 nan 0.000 0.434 125 G N -1.454 107.274 108.800 -0.119 0.000 2.430 125 G HA2 0.198 4.154 3.960 -0.007 0.000 0.300 125 G HA3 0.198 4.154 3.960 -0.007 0.000 0.300 125 G C 0.197 175.055 174.900 -0.069 0.000 1.330 125 G CA 0.065 45.127 45.100 -0.062 0.000 0.813 125 G HN -0.166 nan 8.290 nan 0.000 0.487 126 S N -0.388 115.304 115.700 -0.014 0.000 2.399 126 S HA -0.090 4.376 4.470 -0.007 0.000 0.231 126 S C 2.654 177.210 174.600 -0.075 0.000 1.022 126 S CA 1.985 60.187 58.200 0.003 0.000 0.983 126 S CB -0.267 62.973 63.200 0.067 0.000 0.803 126 S HN 0.557 nan 8.310 nan 0.000 0.480 127 S N 1.125 116.783 115.700 -0.070 0.000 2.359 127 S HA -0.210 4.255 4.470 -0.007 0.000 0.222 127 S C 1.946 176.459 174.600 -0.145 0.000 1.038 127 S CA 1.578 59.700 58.200 -0.131 0.000 1.051 127 S CB -0.428 62.739 63.200 -0.055 0.000 0.944 127 S HN 0.699 nan 8.310 nan 0.000 0.433 128 E N 1.121 121.266 120.200 -0.092 0.000 2.110 128 E HA -0.140 4.206 4.350 -0.007 0.000 0.193 128 E C 2.116 178.628 176.600 -0.146 0.000 0.988 128 E CA 0.969 57.312 56.400 -0.095 0.000 0.804 128 E CB -0.285 29.359 29.700 -0.094 0.000 0.745 128 E HN 0.453 nan 8.360 nan 0.000 0.458 129 A N 0.689 123.432 122.820 -0.129 0.000 1.883 129 A HA -0.220 4.096 4.320 -0.007 0.000 0.217 129 A C 2.514 179.994 177.584 -0.174 0.000 1.186 129 A CA 1.545 53.523 52.037 -0.098 0.000 0.624 129 A CB -1.073 17.923 19.000 -0.007 0.000 0.822 129 A HN 0.553 nan 8.150 nan 0.000 0.444 130 C N -0.535 118.598 119.300 -0.279 0.000 2.425 130 C HA -0.125 4.331 4.460 -0.007 0.000 0.277 130 C C 2.932 177.457 174.990 -0.774 0.000 1.280 130 C CA 1.370 60.028 59.018 -0.601 0.000 1.744 130 C CB -1.064 26.055 27.740 -1.034 0.000 1.989 130 C HN 0.593 nan 8.230 nan 0.000 0.491 131 M N 0.232 119.509 119.600 -0.538 0.000 2.175 131 M HA -0.045 4.431 4.480 -0.007 0.000 0.264 131 M C 2.047 178.105 176.300 -0.403 0.000 1.063 131 M CA 1.565 56.587 55.300 -0.462 0.000 1.119 131 M CB -1.200 31.320 32.600 -0.132 0.000 1.377 131 M HN 0.392 nan 8.290 nan 0.000 0.415 132 L N -0.392 120.674 121.223 -0.262 0.000 2.093 132 L HA -0.073 4.263 4.340 -0.007 0.000 0.208 132 L C 2.756 179.768 176.870 0.237 0.000 1.085 132 L CA 1.240 56.005 54.840 -0.125 0.000 0.755 132 L CB -1.339 40.566 42.059 -0.256 0.000 0.904 132 L HN 0.358 nan 8.230 nan 0.000 0.435 133 G N -0.104 108.688 108.800 -0.013 0.000 2.404 133 G HA2 -0.172 3.784 3.960 -0.007 0.000 0.215 133 G HA3 -0.172 3.784 3.960 -0.007 0.000 0.215 133 G C 1.607 176.440 174.900 -0.110 0.000 1.174 133 G CA 0.706 45.776 45.100 -0.049 0.000 0.780 133 G HN 0.461 nan 8.290 nan 0.000 0.537 134 G N 0.680 109.215 108.800 -0.442 0.000 2.440 134 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.218 134 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.218 134 G C 1.895 176.734 174.900 -0.101 0.000 1.154 134 G CA 1.030 45.735 45.100 -0.658 0.000 0.767 134 G HN 0.392 nan 8.290 nan 0.000 0.552 135 M N 0.645 120.227 119.600 -0.030 0.000 2.086 135 M HA -0.034 4.442 4.480 -0.007 0.000 0.261 135 M C 3.095 179.592 176.300 0.328 0.000 1.067 135 M CA 1.441 56.841 55.300 0.167 0.000 1.116 135 M CB -0.289 32.310 32.600 -0.003 0.000 1.348 135 M HN 0.340 nan 8.290 nan 0.000 0.407 136 A N 0.038 123.043 122.820 0.308 0.000 1.902 136 A HA -0.222 4.093 4.320 -0.007 0.000 0.217 136 A C 2.157 179.962 177.584 0.369 0.000 1.181 136 A CA 1.779 53.993 52.037 0.295 0.000 0.623 136 A CB -0.705 18.546 19.000 0.418 0.000 0.818 136 A HN 0.554 nan 8.150 nan 0.000 0.443 137 M N -0.659 119.147 119.600 0.343 0.000 2.117 137 M HA -0.175 4.301 4.480 -0.007 0.000 0.262 137 M C 2.187 178.705 176.300 0.365 0.000 1.065 137 M CA 2.322 57.806 55.300 0.307 0.000 1.114 137 M CB -0.164 32.554 32.600 0.197 0.000 1.361 137 M HN 0.443 nan 8.290 nan 0.000 0.408 138 K N -0.460 120.193 120.400 0.420 0.000 2.097 138 K HA -0.206 4.109 4.320 -0.007 0.000 0.205 138 K C 1.998 178.923 176.600 0.541 0.000 1.050 138 K CA 1.466 58.038 56.287 0.474 0.000 0.938 138 K CB -0.309 32.496 32.500 0.510 0.000 0.718 138 K HN 0.562 nan 8.250 nan 0.000 0.442 139 W N 1.584 123.037 121.300 0.256 0.000 2.381 139 W HA -0.138 4.517 4.660 -0.008 0.000 0.301 139 W C 2.115 178.735 176.519 0.168 0.000 1.205 139 W CA 1.002 58.461 57.345 0.189 0.000 1.285 139 W CB -0.052 29.470 29.460 0.103 0.000 1.133 139 W HN 0.171 nan 8.180 nan 0.000 0.521 140 R N -0.751 119.983 120.500 0.390 0.000 2.080 140 R HA -0.245 4.091 4.340 -0.007 0.000 0.236 140 R C 1.973 178.412 176.300 0.231 0.000 1.137 140 R CA 2.178 58.434 56.100 0.260 0.000 0.943 140 R CB -1.465 28.986 30.300 0.252 0.000 0.846 140 R HN 0.227 nan 8.270 nan 0.000 0.431 141 W N 2.161 123.530 121.300 0.114 0.000 2.318 141 W HA -0.259 4.396 4.660 -0.008 0.000 0.313 141 W C 2.383 178.922 176.519 0.033 0.000 1.221 141 W CA 1.743 59.135 57.345 0.078 0.000 1.266 141 W CB -0.259 29.256 29.460 0.093 0.000 1.150 141 W HN -0.052 nan 8.180 nan 0.000 0.496 142 R N 0.572 121.074 120.500 0.003 0.000 2.082 142 R HA -0.201 4.135 4.340 -0.007 0.000 0.234 142 R C 2.366 178.461 176.300 -0.341 0.000 1.136 142 R CA 2.493 58.373 56.100 -0.367 0.000 0.935 142 R CB -0.512 29.676 30.300 -0.186 0.000 0.842 142 R HN 0.103 nan 8.270 nan 0.000 0.430 143 K N -0.328 119.969 120.400 -0.173 0.000 2.160 143 K HA -0.234 4.082 4.320 -0.007 0.000 0.206 143 K C 2.234 178.751 176.600 -0.138 0.000 1.047 143 K CA 1.753 57.966 56.287 -0.123 0.000 0.930 143 K CB -0.169 32.314 32.500 -0.028 0.000 0.720 143 K HN 0.163 nan 8.250 nan 0.000 0.450 144 R N 0.442 120.847 120.500 -0.159 0.000 2.062 144 R HA -0.022 4.313 4.340 -0.007 0.000 0.229 144 R C 2.211 178.374 176.300 -0.228 0.000 1.128 144 R CA 1.143 57.153 56.100 -0.149 0.000 0.960 144 R CB 0.045 30.285 30.300 -0.099 0.000 0.855 144 R HN 0.042 nan 8.270 nan 0.000 0.432 145 M N 0.826 120.177 119.600 -0.415 0.000 2.159 145 M HA -0.134 4.342 4.480 -0.007 0.000 0.263 145 M C 1.786 177.923 176.300 -0.271 0.000 1.063 145 M CA 1.701 56.751 55.300 -0.417 0.000 1.110 145 M CB -0.729 31.429 32.600 -0.736 0.000 1.374 145 M HN 0.249 nan 8.290 nan 0.000 0.411 146 E N 0.308 120.353 120.200 -0.259 0.000 2.150 146 E HA -0.094 4.252 4.350 -0.007 0.000 0.193 146 E C 1.937 178.465 176.600 -0.120 0.000 0.985 146 E CA 1.164 57.461 56.400 -0.171 0.000 0.814 146 E CB -0.151 29.454 29.700 -0.158 0.000 0.752 146 E HN 0.502 nan 8.360 nan 0.000 0.466 147 A N 0.937 123.688 122.820 -0.114 0.000 2.119 147 A HA 0.145 4.460 4.320 -0.007 0.000 0.216 147 A C 2.095 179.637 177.584 -0.071 0.000 1.152 147 A CA 1.100 53.091 52.037 -0.078 0.000 0.708 147 A CB -0.036 18.925 19.000 -0.065 0.000 0.805 147 A HN 0.236 nan 8.150 nan 0.000 0.460 148 A N -1.812 120.955 122.820 -0.089 0.000 2.348 148 A HA 0.463 4.779 4.320 -0.007 0.000 0.224 148 A C 1.526 179.069 177.584 -0.067 0.000 1.227 148 A CA 0.896 52.890 52.037 -0.072 0.000 0.885 148 A CB -0.610 18.344 19.000 -0.077 0.000 0.933 148 A HN 1.740 nan 8.150 nan 0.000 0.506 149 G N 0.208 108.962 108.800 -0.076 0.000 2.225 149 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.264 149 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.264 149 G C -0.065 174.796 174.900 -0.065 0.000 1.060 149 G CA 0.666 45.727 45.100 -0.064 0.000 0.833 149 G HN 0.589 nan 8.290 nan 0.000 0.498 150 K N -0.090 120.255 120.400 -0.092 0.000 2.267 150 K HA 0.537 4.852 4.320 -0.007 0.000 0.246 150 K C -2.576 173.965 176.600 -0.099 0.000 0.954 150 K CA -2.193 54.045 56.287 -0.081 0.000 0.824 150 K CB 1.887 34.337 32.500 -0.083 0.000 1.167 150 K HN -0.040 nan 8.250 nan 0.000 0.431 151 P HA -0.010 nan 4.420 nan 0.000 0.268 151 P C -0.044 177.237 177.300 -0.032 0.000 1.205 151 P CA -0.004 63.080 63.100 -0.026 0.000 0.771 151 P CB 0.478 32.191 31.700 0.021 0.000 0.858 152 T N -2.924 111.616 114.554 -0.022 0.000 3.296 152 T HA 0.134 4.479 4.350 -0.007 0.000 0.285 152 T C 0.784 175.609 174.700 0.209 0.000 1.014 152 T CA -0.228 61.895 62.100 0.038 0.000 0.920 152 T CB -0.509 68.271 68.868 -0.147 0.000 1.143 152 T HN 0.232 nan 8.240 nan 0.000 0.522 153 D N 2.697 123.191 120.400 0.157 0.000 2.277 153 D HA -0.042 4.594 4.640 -0.007 0.000 0.208 153 D C 0.910 177.294 176.300 0.139 0.000 0.962 153 D CA 0.603 54.677 54.000 0.124 0.000 0.865 153 D CB 0.165 41.012 40.800 0.078 0.000 0.939 153 D HN 0.703 nan 8.370 nan 0.000 0.510 154 K N 0.164 120.675 120.400 0.184 0.000 2.895 154 K HA 0.366 4.682 4.320 -0.007 0.000 0.191 154 K C -2.867 173.770 176.600 0.062 0.000 1.117 154 K CA -1.518 54.837 56.287 0.112 0.000 0.988 154 K CB 1.688 34.237 32.500 0.081 0.000 1.181 154 K HN -0.050 nan 8.250 nan 0.000 0.598 155 P HA 0.086 nan 4.420 nan 0.000 0.274 155 P C -1.207 175.925 177.300 -0.280 0.000 1.237 155 P CA -0.339 62.477 63.100 -0.473 0.000 0.793 155 P CB 0.789 32.054 31.700 -0.725 0.000 0.977 156 N N 0.467 118.968 118.700 -0.332 0.000 2.416 156 N HA 0.586 5.321 4.740 -0.007 0.000 0.276 156 N C -1.846 173.561 175.510 -0.172 0.000 1.261 156 N CA -0.950 51.996 53.050 -0.173 0.000 0.790 156 N CB 1.083 39.504 38.487 -0.111 0.000 1.554 156 N HN 0.247 nan 8.380 nan 0.000 0.481 157 L N 0.853 122.022 121.223 -0.091 0.000 2.385 157 L HA 0.680 5.016 4.340 -0.007 0.000 0.273 157 L C -1.529 175.274 176.870 -0.112 0.000 0.990 157 L CA -0.832 53.956 54.840 -0.086 0.000 0.821 157 L CB 1.987 44.051 42.059 0.009 0.000 1.279 157 L HN 0.558 nan 8.230 nan 0.000 0.412 158 V N 4.504 124.333 119.914 -0.142 0.000 2.394 158 V HA 0.688 4.803 4.120 -0.007 0.000 0.282 158 V C 0.030 176.016 176.094 -0.179 0.000 1.031 158 V CA -0.194 62.020 62.300 -0.143 0.000 0.881 158 V CB 0.999 32.736 31.823 -0.143 0.000 0.982 158 V HN 1.066 nan 8.190 nan 0.000 0.451 159 C N 2.502 121.704 119.300 -0.163 0.000 3.320 159 C HA 0.968 5.423 4.460 -0.007 0.000 0.335 159 C C 0.525 175.450 174.990 -0.109 0.000 1.430 159 C CA -0.080 58.827 59.018 -0.185 0.000 1.271 159 C CB 1.178 28.736 27.740 -0.303 0.000 1.609 159 C HN 0.968 nan 8.230 nan 0.000 0.457 160 G N -0.371 108.383 108.800 -0.077 0.000 2.849 160 G HA2 0.742 4.697 3.960 -0.007 0.000 0.174 160 G HA3 0.742 4.697 3.960 -0.007 0.000 0.174 160 G C -2.469 172.444 174.900 0.021 0.000 1.370 160 G CA -0.766 44.327 45.100 -0.012 0.000 1.040 160 G HN 0.809 nan 8.290 nan 0.000 0.582 161 P HA 0.143 nan 4.420 nan 0.000 0.241 161 P C 0.503 177.968 177.300 0.276 0.000 1.760 161 P CA -0.119 63.065 63.100 0.140 0.000 1.081 161 P CB -0.299 31.446 31.700 0.074 0.000 1.975 162 V N -0.360 119.677 119.914 0.205 0.000 3.185 162 V HA 0.177 4.293 4.120 -0.007 0.000 0.305 162 V C 0.749 177.043 176.094 0.333 0.000 1.090 162 V CA -0.629 61.811 62.300 0.234 0.000 1.107 162 V CB 0.324 32.225 31.823 0.130 0.000 1.061 162 V HN 0.270 nan 8.190 nan 0.000 0.480 163 Q N 1.046 121.018 119.800 0.286 0.000 2.443 163 Q HA 0.205 4.541 4.340 -0.007 0.000 0.232 163 Q C 1.019 177.137 176.000 0.196 0.000 1.026 163 Q CA 0.007 55.867 55.803 0.095 0.000 0.924 163 Q CB 1.117 29.825 28.738 -0.052 0.000 1.256 163 Q HN 0.936 nan 8.270 nan 0.000 0.519 164 I N 1.872 122.484 120.570 0.070 0.000 2.502 164 I HA -0.332 3.834 4.170 -0.007 0.000 0.258 164 I C 2.223 178.399 176.117 0.097 0.000 1.172 164 I CA 1.378 62.761 61.300 0.139 0.000 1.430 164 I CB -0.040 37.949 38.000 -0.018 0.000 1.086 164 I HN 0.847 nan 8.210 nan 0.000 0.440 165 C N -0.968 118.307 119.300 -0.042 0.000 2.410 165 C HA -0.159 4.296 4.460 -0.007 0.000 0.281 165 C C 2.257 177.134 174.990 -0.188 0.000 1.318 165 C CA 0.019 58.939 59.018 -0.164 0.000 1.776 165 C CB -2.110 25.432 27.740 -0.329 0.000 1.942 165 C HN 0.705 nan 8.230 nan 0.000 0.508 166 W N -0.140 121.193 121.300 0.055 0.000 2.518 166 W HA 0.087 4.743 4.660 -0.007 0.000 0.273 166 W C 2.906 179.432 176.519 0.012 0.000 1.247 166 W CA 0.794 58.162 57.345 0.037 0.000 1.288 166 W CB -0.486 28.939 29.460 -0.058 0.000 1.107 166 W HN 0.461 nan 8.180 nan 0.000 0.586 167 H N 0.241 119.434 119.070 0.205 0.000 2.428 167 H HA -0.009 4.542 4.556 -0.007 0.000 0.296 167 H C 1.768 177.062 175.328 -0.057 0.000 1.062 167 H CA 1.180 57.281 56.048 0.089 0.000 1.350 167 H CB 0.064 29.852 29.762 0.044 0.000 1.403 167 H HN 0.239 nan 8.280 nan 0.000 0.533 168 K N 0.207 120.586 120.400 -0.035 0.000 2.057 168 K HA -0.111 4.205 4.320 -0.007 0.000 0.206 168 K C 2.031 178.400 176.600 -0.385 0.000 1.050 168 K CA 0.894 56.883 56.287 -0.497 0.000 0.935 168 K CB -0.168 32.118 32.500 -0.357 0.000 0.715 168 K HN 0.067 nan 8.250 nan 0.000 0.439 169 F N 2.012 121.945 119.950 -0.030 0.000 2.095 169 F HA -0.221 4.302 4.527 -0.006 0.000 0.298 169 F C 2.183 178.179 175.800 0.325 0.000 1.104 169 F CA 1.506 59.679 58.000 0.288 0.000 1.232 169 F CB -0.517 38.582 39.000 0.166 0.000 0.987 169 F HN -0.027 nan 8.300 nan 0.000 0.475 170 A N 0.323 123.178 122.820 0.057 0.000 1.908 170 A HA -0.221 4.095 4.320 -0.007 0.000 0.218 170 A C 2.231 179.769 177.584 -0.076 0.000 1.181 170 A CA 1.976 53.983 52.037 -0.051 0.000 0.627 170 A CB -0.802 18.237 19.000 0.065 0.000 0.818 170 A HN 0.433 nan 8.150 nan 0.000 0.445 171 R N -1.170 119.278 120.500 -0.086 0.000 2.062 171 R HA -0.106 4.229 4.340 -0.007 0.000 0.231 171 R C 1.857 178.177 176.300 0.033 0.000 1.136 171 R CA 1.867 57.932 56.100 -0.059 0.000 0.948 171 R CB -0.876 29.350 30.300 -0.124 0.000 0.845 171 R HN 0.537 nan 8.270 nan 0.000 0.430 172 Y N -1.395 118.849 120.300 -0.093 0.000 2.293 172 Y HA -0.109 4.437 4.550 -0.005 0.000 0.291 172 Y C 1.301 176.917 175.900 -0.474 0.000 1.137 172 Y CA 0.166 58.073 58.100 -0.322 0.000 1.202 172 Y CB -0.426 37.741 38.460 -0.488 0.000 0.990 172 Y HN 0.195 nan 8.280 nan 0.000 0.537 173 W N 1.090 122.333 121.300 -0.095 0.000 3.067 173 W HA 0.175 4.833 4.660 -0.004 0.000 0.417 173 W C -0.395 176.039 176.519 -0.140 0.000 1.029 173 W CA -0.287 56.969 57.345 -0.148 0.000 1.992 173 W CB -0.113 29.125 29.460 -0.370 0.000 1.122 173 W HN 0.097 nan 8.180 nan 0.000 0.681 174 D N 1.162 121.579 120.400 0.028 0.000 2.802 174 D HA -0.157 4.478 4.640 -0.007 0.000 0.229 174 D C -0.376 175.929 176.300 0.009 0.000 1.203 174 D CA 0.845 54.858 54.000 0.022 0.000 0.712 174 D CB -1.361 39.465 40.800 0.043 0.000 0.973 174 D HN -0.119 nan 8.370 nan 0.000 0.407 175 V N 0.672 120.563 119.914 -0.037 0.000 2.540 175 V HA 0.188 4.304 4.120 -0.007 0.000 0.302 175 V C 0.568 176.650 176.094 -0.020 0.000 1.035 175 V CA -0.879 61.395 62.300 -0.042 0.000 0.873 175 V CB 2.307 34.095 31.823 -0.058 0.000 0.992 175 V HN 0.147 nan 8.190 nan 0.000 0.428 176 E N 3.359 123.543 120.200 -0.026 0.000 2.265 176 E HA 0.176 4.521 4.350 -0.007 0.000 0.272 176 E C -0.922 175.670 176.600 -0.013 0.000 1.067 176 E CA -0.583 55.808 56.400 -0.014 0.000 0.900 176 E CB 0.942 30.629 29.700 -0.021 0.000 1.017 176 E HN 0.527 nan 8.360 nan 0.000 0.431 177 L N 6.248 127.472 121.223 0.002 0.000 2.295 177 L HA 0.198 4.534 4.340 -0.007 0.000 0.288 177 L C -0.253 176.602 176.870 -0.025 0.000 1.079 177 L CA 0.141 54.974 54.840 -0.011 0.000 0.830 177 L CB 0.384 42.433 42.059 -0.017 0.000 1.200 177 L HN 0.460 nan 8.230 nan 0.000 0.438 178 R N 4.548 125.020 120.500 -0.046 0.000 2.825 178 R HA 0.191 4.527 4.340 -0.007 0.000 0.261 178 R C -0.439 175.825 176.300 -0.060 0.000 1.341 178 R CA -0.205 55.867 56.100 -0.048 0.000 1.353 178 R CB 0.305 30.570 30.300 -0.058 0.000 1.191 178 R HN 0.587 nan 8.270 nan 0.000 0.590 179 E N 3.039 123.214 120.200 -0.042 0.000 2.152 179 E HA 0.073 4.419 4.350 -0.007 0.000 0.285 179 E C -0.470 176.109 176.600 -0.036 0.000 1.043 179 E CA -0.795 55.580 56.400 -0.041 0.000 0.839 179 E CB 0.607 30.305 29.700 -0.003 0.000 1.069 179 E HN 0.265 nan 8.360 nan 0.000 0.399 180 I N 8.725 129.265 120.570 -0.051 0.000 2.578 180 I HA 0.040 4.206 4.170 -0.007 0.000 0.286 180 I C -1.822 174.264 176.117 -0.052 0.000 1.126 180 I CA -1.816 59.450 61.300 -0.057 0.000 1.380 180 I CB 0.205 38.162 38.000 -0.071 0.000 1.408 180 I HN 0.404 nan 8.210 nan 0.000 0.532 181 P HA 0.071 nan 4.420 nan 0.000 0.271 181 P C -0.286 176.970 177.300 -0.073 0.000 1.218 181 P CA -0.319 62.750 63.100 -0.051 0.000 0.780 181 P CB 0.648 32.324 31.700 -0.040 0.000 0.901 182 M N 2.277 121.831 119.600 -0.077 0.000 2.232 182 M HA 0.219 4.694 4.480 -0.007 0.000 0.321 182 M C 0.864 177.120 176.300 -0.072 0.000 1.101 182 M CA 0.773 56.025 55.300 -0.080 0.000 1.181 182 M CB 0.240 32.787 32.600 -0.088 0.000 1.432 182 M HN 0.409 nan 8.290 nan 0.000 0.457 183 R N 1.816 122.274 120.500 -0.070 0.000 2.604 183 R HA 0.371 4.707 4.340 -0.007 0.000 0.261 183 R C -2.836 173.441 176.300 -0.038 0.000 1.080 183 R CA -1.464 54.603 56.100 -0.056 0.000 0.917 183 R CB 1.920 32.178 30.300 -0.069 0.000 1.252 183 R HN 0.247 nan 8.270 nan 0.000 0.456 184 P HA -0.035 nan 4.420 nan 0.000 0.257 184 P C 0.330 177.633 177.300 0.004 0.000 1.162 184 P CA 2.118 65.217 63.100 -0.002 0.000 0.762 184 P CB 0.551 32.249 31.700 -0.002 0.000 0.753 185 G N 2.546 111.365 108.800 0.031 0.000 2.225 185 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.254 185 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.254 185 G C 0.220 175.158 174.900 0.063 0.000 0.988 185 G CA 0.222 45.353 45.100 0.052 0.000 0.625 185 G HN 0.630 nan 8.290 nan 0.000 0.527 186 Q N -0.158 119.640 119.800 -0.003 0.000 3.660 186 Q HA 0.493 4.828 4.340 -0.007 0.000 0.194 186 Q C 0.090 175.969 176.000 -0.200 0.000 0.872 186 Q CA -0.478 55.217 55.803 -0.179 0.000 0.756 186 Q CB 0.165 28.690 28.738 -0.355 0.000 1.443 186 Q HN 0.326 nan 8.270 nan 0.000 0.460 187 L N 4.340 125.633 121.223 0.115 0.000 2.955 187 L HA 0.370 4.706 4.340 -0.007 0.000 0.238 187 L C -0.659 176.384 176.870 0.288 0.000 1.359 187 L CA -0.055 54.871 54.840 0.144 0.000 1.214 187 L CB -0.922 41.239 42.059 0.170 0.000 1.600 187 L HN 0.366 nan 8.230 nan 0.000 0.442 188 F N -2.834 117.122 119.950 0.010 0.000 2.773 188 F HA 0.425 4.947 4.527 -0.007 0.000 0.314 188 F C -0.644 175.160 175.800 0.007 0.000 1.160 188 F CA -1.704 56.304 58.000 0.013 0.000 0.920 188 F CB 1.256 40.271 39.000 0.026 0.000 1.323 188 F HN -0.167 nan 8.300 nan 0.000 0.457 189 M N 3.825 123.502 119.600 0.129 0.000 2.194 189 M HA 0.243 4.719 4.480 -0.007 0.000 0.347 189 M C -1.048 175.314 176.300 0.103 0.000 1.439 189 M CA -0.068 55.246 55.300 0.023 0.000 1.131 189 M CB 0.121 32.737 32.600 0.027 0.000 1.733 189 M HN 0.740 nan 8.290 nan 0.000 0.467 190 D N 5.353 125.727 120.400 -0.044 0.000 2.326 190 D HA 0.393 5.029 4.640 -0.007 0.000 0.251 190 D C -2.581 173.738 176.300 0.032 0.000 1.023 190 D CA -1.730 52.297 54.000 0.046 0.000 0.966 190 D CB 0.643 41.395 40.800 -0.080 0.000 1.156 190 D HN 0.267 nan 8.370 nan 0.000 0.494 191 P HA -0.223 nan 4.420 nan 0.000 0.214 191 P C 1.511 178.808 177.300 -0.005 0.000 1.169 191 P CA 1.870 64.989 63.100 0.031 0.000 0.908 191 P CB 0.158 31.890 31.700 0.054 0.000 0.791 192 K N -0.148 120.251 120.400 -0.001 0.000 2.001 192 K HA -0.201 4.115 4.320 -0.007 0.000 0.214 192 K C 2.172 178.751 176.600 -0.035 0.000 1.050 192 K CA 1.728 58.007 56.287 -0.012 0.000 0.934 192 K CB -0.241 32.253 32.500 -0.009 0.000 0.718 192 K HN -0.063 nan 8.250 nan 0.000 0.443 193 R N 0.104 120.574 120.500 -0.050 0.000 2.189 193 R HA -0.080 4.256 4.340 -0.007 0.000 0.223 193 R C 2.380 178.635 176.300 -0.074 0.000 1.092 193 R CA 1.289 57.352 56.100 -0.062 0.000 0.989 193 R CB -0.220 30.032 30.300 -0.079 0.000 0.876 193 R HN 0.439 nan 8.270 nan 0.000 0.457 194 M N 0.674 120.228 119.600 -0.077 0.000 2.077 194 M HA -0.152 4.324 4.480 -0.007 0.000 0.261 194 M C 1.760 177.964 176.300 -0.160 0.000 1.070 194 M CA 1.689 56.925 55.300 -0.105 0.000 1.125 194 M CB 0.080 32.626 32.600 -0.089 0.000 1.339 194 M HN 0.011 nan 8.290 nan 0.000 0.409 195 I N 1.023 121.496 120.570 -0.162 0.000 2.264 195 I HA -0.264 3.902 4.170 -0.007 0.000 0.248 195 I C 2.056 178.077 176.117 -0.161 0.000 1.111 195 I CA 1.646 62.801 61.300 -0.241 0.000 1.382 195 I CB -1.594 36.336 38.000 -0.116 0.000 1.060 195 I HN 0.447 nan 8.210 nan 0.000 0.418 196 E N 0.603 120.755 120.200 -0.080 0.000 2.267 196 E HA -0.173 4.173 4.350 -0.007 0.000 0.197 196 E C 1.886 178.457 176.600 -0.048 0.000 0.998 196 E CA 1.271 57.648 56.400 -0.039 0.000 0.830 196 E CB -0.044 29.638 29.700 -0.031 0.000 0.751 196 E HN 0.510 nan 8.360 nan 0.000 0.491 197 A N -0.253 122.514 122.820 -0.088 0.000 2.390 197 A HA 0.120 4.436 4.320 -0.007 0.000 0.232 197 A C 0.571 178.092 177.584 -0.105 0.000 1.233 197 A CA -0.317 51.673 52.037 -0.080 0.000 0.907 197 A CB 0.328 19.279 19.000 -0.081 0.000 0.967 197 A HN 0.162 nan 8.150 nan 0.000 0.512 198 C N 1.761 120.948 119.300 -0.189 0.000 2.452 198 C HA 0.631 5.087 4.460 -0.007 0.000 0.379 198 C C 0.038 175.013 174.990 -0.025 0.000 1.275 198 C CA -0.332 58.541 59.018 -0.242 0.000 2.056 198 C CB 0.161 27.509 27.740 -0.653 0.000 2.506 198 C HN 0.769 nan 8.230 nan 0.000 0.560 199 D N -0.043 120.417 120.400 0.100 0.000 2.825 199 D HA 0.179 4.815 4.640 -0.007 0.000 0.327 199 D C 0.470 176.924 176.300 0.257 0.000 1.277 199 D CA -0.684 53.460 54.000 0.240 0.000 0.950 199 D CB 0.134 41.025 40.800 0.151 0.000 1.438 199 D HN 0.585 nan 8.370 nan 0.000 0.526 200 E N -0.450 119.895 120.200 0.243 0.000 2.409 200 E HA -0.125 4.220 4.350 -0.007 0.000 0.198 200 E C 0.283 177.148 176.600 0.442 0.000 1.024 200 E CA 0.882 57.451 56.400 0.282 0.000 0.861 200 E CB -0.649 29.166 29.700 0.191 0.000 0.788 200 E HN 0.434 nan 8.360 nan 0.000 0.521 201 N N 0.175 119.069 118.700 0.324 0.000 2.336 201 N HA 0.021 4.757 4.740 -0.007 0.000 0.189 201 N C -0.561 174.851 175.510 -0.163 0.000 1.113 201 N CA 0.063 53.297 53.050 0.307 0.000 0.858 201 N CB 0.661 39.249 38.487 0.169 0.000 0.970 201 N HN -0.027 nan 8.380 nan 0.000 0.471 202 T N 1.794 116.305 114.554 -0.072 0.000 2.738 202 T HA 0.108 4.453 4.350 -0.007 0.000 0.293 202 T C 1.736 176.216 174.700 -0.367 0.000 0.913 202 T CA -0.219 61.753 62.100 -0.214 0.000 1.103 202 T CB 0.379 69.201 68.868 -0.077 0.000 0.880 202 T HN 0.248 nan 8.240 nan 0.000 0.526 203 I N 0.909 121.115 120.570 -0.607 0.000 2.614 203 I HA 0.327 4.493 4.170 -0.007 0.000 0.258 203 I C 1.018 177.106 176.117 -0.049 0.000 1.189 203 I CA 0.205 61.248 61.300 -0.430 0.000 1.462 203 I CB -0.192 37.626 38.000 -0.304 0.000 1.092 203 I HN 0.658 nan 8.210 nan 0.000 0.442 204 G N 0.063 108.817 108.800 -0.077 0.000 2.316 204 G HA2 0.409 4.365 3.960 -0.007 0.000 0.296 204 G HA3 0.409 4.365 3.960 -0.007 0.000 0.296 204 G C -1.691 173.155 174.900 -0.090 0.000 1.399 204 G CA -0.452 44.631 45.100 -0.029 0.000 0.833 204 G HN -0.065 nan 8.290 nan 0.000 0.565 205 V N -0.289 119.572 119.914 -0.089 0.000 2.581 205 V HA 0.677 4.793 4.120 -0.007 0.000 0.303 205 V C -0.195 175.800 176.094 -0.165 0.000 1.041 205 V CA -0.690 61.529 62.300 -0.135 0.000 0.907 205 V CB 1.782 33.537 31.823 -0.113 0.000 0.994 205 V HN 0.750 nan 8.190 nan 0.000 0.442 206 V N 6.618 126.374 119.914 -0.262 0.000 2.305 206 V HA 0.356 4.472 4.120 -0.007 0.000 0.275 206 V C -2.518 173.421 176.094 -0.260 0.000 1.020 206 V CA -1.622 60.472 62.300 -0.343 0.000 0.811 206 V CB 1.484 32.830 31.823 -0.796 0.000 1.031 206 V HN 0.742 nan 8.190 nan 0.000 0.439 207 P HA 0.336 nan 4.420 nan 0.000 0.278 207 P C -0.239 177.032 177.300 -0.049 0.000 1.238 207 P CA -0.139 62.919 63.100 -0.070 0.000 0.794 207 P CB 0.726 32.408 31.700 -0.030 0.000 0.955 208 T N 3.215 117.772 114.554 0.005 0.000 2.832 208 T HA 0.248 4.594 4.350 -0.007 0.000 0.313 208 T C -0.291 174.463 174.700 0.091 0.000 1.035 208 T CA -0.048 62.084 62.100 0.054 0.000 0.950 208 T CB -0.637 68.275 68.868 0.073 0.000 0.984 208 T HN 0.159 nan 8.240 nan 0.000 0.486 209 F N 3.754 123.623 119.950 -0.135 0.000 2.678 209 F HA 0.475 4.998 4.527 -0.007 0.000 0.358 209 F C 1.084 176.891 175.800 0.013 0.000 1.256 209 F CA -0.663 57.204 58.000 -0.221 0.000 1.278 209 F CB -0.648 38.005 39.000 -0.578 0.000 1.681 209 F HN 0.779 nan 8.300 nan 0.000 0.661 210 G N 2.832 111.630 108.800 -0.003 0.000 2.403 210 G HA2 -0.008 3.947 3.960 -0.007 0.000 0.393 210 G HA3 -0.008 3.947 3.960 -0.007 0.000 0.393 210 G C -1.148 173.770 174.900 0.030 0.000 1.106 210 G CA -0.805 44.264 45.100 -0.052 0.000 1.305 210 G HN 0.319 nan 8.290 nan 0.000 0.628 211 V N 2.184 122.118 119.914 0.033 0.000 2.529 211 V HA 0.168 4.283 4.120 -0.007 0.000 0.292 211 V C 2.134 178.312 176.094 0.140 0.000 1.028 211 V CA 1.109 63.476 62.300 0.112 0.000 1.074 211 V CB 0.807 32.724 31.823 0.157 0.000 0.958 211 V HN 0.783 nan 8.190 nan 0.000 0.481 212 T N 4.135 118.726 114.554 0.062 0.000 2.665 212 T HA -0.249 4.097 4.350 -0.007 0.000 0.268 212 T C 1.481 176.227 174.700 0.076 0.000 1.035 212 T CA 2.276 64.356 62.100 -0.032 0.000 1.151 212 T CB -0.415 68.245 68.868 -0.347 0.000 0.862 212 T HN 0.702 nan 8.240 nan 0.000 0.438 213 Y N 1.788 122.161 120.300 0.122 0.000 2.207 213 Y HA -0.146 4.400 4.550 -0.007 0.000 0.287 213 Y C 3.003 179.065 175.900 0.270 0.000 1.156 213 Y CA 1.418 59.628 58.100 0.183 0.000 1.182 213 Y CB -0.656 37.897 38.460 0.155 0.000 0.979 213 Y HN 0.448 nan 8.280 nan 0.000 0.521 214 T N -6.552 108.200 114.554 0.329 0.000 2.954 214 T HA 0.474 4.820 4.350 -0.007 0.000 0.252 214 T C 1.735 176.501 174.700 0.110 0.000 0.983 214 T CA 0.473 62.695 62.100 0.203 0.000 0.941 214 T CB 0.486 69.447 68.868 0.154 0.000 1.141 214 T HN 0.388 nan 8.240 nan 0.000 0.500 215 G N 1.846 110.702 108.800 0.093 0.000 2.217 215 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.246 215 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.246 215 G C -0.023 174.756 174.900 -0.203 0.000 0.990 215 G CA -0.122 44.967 45.100 -0.019 0.000 0.627 215 G HN 0.615 nan 8.290 nan 0.000 0.522 216 N N 0.216 118.816 118.700 -0.166 0.000 2.530 216 N HA 0.454 5.190 4.740 -0.007 0.000 0.277 216 N C -0.403 174.887 175.510 -0.367 0.000 1.168 216 N CA -0.011 52.859 53.050 -0.300 0.000 0.979 216 N CB 0.414 38.788 38.487 -0.188 0.000 1.141 216 N HN 0.135 nan 8.380 nan 0.000 0.459 217 Y N 0.583 120.563 120.300 -0.533 0.000 2.309 217 Y HA 0.134 4.679 4.550 -0.007 0.000 0.327 217 Y C 0.953 176.427 175.900 -0.710 0.000 1.172 217 Y CA -0.252 57.400 58.100 -0.747 0.000 1.280 217 Y CB 0.565 38.330 38.460 -1.159 0.000 1.234 217 Y HN 0.281 nan 8.280 nan 0.000 0.512 218 E N 3.287 123.367 120.200 -0.199 0.000 2.081 218 E HA 0.198 4.543 4.350 -0.007 0.000 0.281 218 E C -1.279 175.274 176.600 -0.079 0.000 0.986 218 E CA -0.526 55.807 56.400 -0.112 0.000 0.796 218 E CB 0.517 30.245 29.700 0.047 0.000 1.085 218 E HN 0.346 nan 8.360 nan 0.000 0.398 219 F N 4.361 124.384 119.950 0.121 0.000 2.502 219 F HA 0.131 4.654 4.527 -0.007 0.000 0.371 219 F C -1.383 174.462 175.800 0.074 0.000 1.083 219 F CA -1.978 56.093 58.000 0.119 0.000 1.174 219 F CB 0.497 39.543 39.000 0.077 0.000 1.096 219 F HN 0.423 nan 8.300 nan 0.000 0.545 220 P HA -0.190 nan 4.420 nan 0.000 0.219 220 P C 1.664 179.032 177.300 0.114 0.000 1.150 220 P CA 1.017 64.172 63.100 0.091 0.000 0.814 220 P CB 0.164 31.852 31.700 -0.019 0.000 0.787 221 Q N -0.044 119.816 119.800 0.100 0.000 2.014 221 Q HA -0.170 4.166 4.340 -0.007 0.000 0.207 221 Q C -0.647 175.416 176.000 0.105 0.000 0.993 221 Q CA 2.957 58.795 55.803 0.057 0.000 0.850 221 Q CB -1.675 27.066 28.738 0.005 0.000 0.916 221 Q HN 0.197 nan 8.270 nan 0.000 0.417 222 P HA -0.154 nan 4.420 nan 0.000 0.216 222 P C 0.857 178.222 177.300 0.108 0.000 1.150 222 P CA 1.225 64.386 63.100 0.102 0.000 0.837 222 P CB -0.056 31.713 31.700 0.115 0.000 0.786 223 L N -1.844 119.451 121.223 0.120 0.000 2.141 223 L HA -0.196 4.140 4.340 -0.007 0.000 0.209 223 L C 2.705 179.616 176.870 0.069 0.000 1.094 223 L CA 1.316 56.205 54.840 0.081 0.000 0.763 223 L CB -1.138 40.964 42.059 0.071 0.000 0.908 223 L HN 0.176 nan 8.230 nan 0.000 0.437 224 H N 0.647 119.725 119.070 0.013 0.000 2.357 224 H HA -0.164 4.387 4.556 -0.007 0.000 0.301 224 H C 1.621 176.961 175.328 0.019 0.000 1.082 224 H CA 1.762 57.813 56.048 0.005 0.000 1.342 224 H CB 0.224 29.979 29.762 -0.013 0.000 1.389 224 H HN 0.333 nan 8.280 nan 0.000 0.511 225 D N 0.508 121.005 120.400 0.163 0.000 2.117 225 D HA -0.105 4.531 4.640 -0.007 0.000 0.197 225 D C 2.218 178.552 176.300 0.057 0.000 0.987 225 D CA 1.164 55.230 54.000 0.109 0.000 0.829 225 D CB -0.394 40.459 40.800 0.088 0.000 0.961 225 D HN 0.446 nan 8.370 nan 0.000 0.460 226 A N 0.805 123.653 122.820 0.047 0.000 1.933 226 A HA -0.114 4.201 4.320 -0.007 0.000 0.218 226 A C 2.397 180.008 177.584 0.046 0.000 1.175 226 A CA 0.845 52.907 52.037 0.042 0.000 0.628 226 A CB -0.718 18.296 19.000 0.023 0.000 0.814 226 A HN 0.203 nan 8.150 nan 0.000 0.444 227 L N -0.695 120.521 121.223 -0.013 0.000 2.141 227 L HA -0.147 4.188 4.340 -0.007 0.000 0.209 227 L C 1.938 178.834 176.870 0.043 0.000 1.094 227 L CA 1.082 55.919 54.840 -0.005 0.000 0.763 227 L CB -0.562 41.424 42.059 -0.123 0.000 0.908 227 L HN 0.299 nan 8.230 nan 0.000 0.437 228 D N 0.245 120.633 120.400 -0.019 0.000 2.097 228 D HA -0.199 4.437 4.640 -0.007 0.000 0.197 228 D C 2.091 178.422 176.300 0.053 0.000 0.984 228 D CA 1.132 55.136 54.000 0.007 0.000 0.826 228 D CB -0.013 40.799 40.800 0.019 0.000 0.973 228 D HN 0.182 nan 8.370 nan 0.000 0.460 229 K N -0.212 120.230 120.400 0.070 0.000 2.103 229 K HA -0.174 4.142 4.320 -0.007 0.000 0.207 229 K C 2.153 178.812 176.600 0.098 0.000 1.048 229 K CA 0.748 57.079 56.287 0.072 0.000 0.930 229 K CB -0.312 32.234 32.500 0.077 0.000 0.716 229 K HN 0.018 nan 8.250 nan 0.000 0.444 230 F N 2.236 122.179 119.950 -0.012 0.000 2.126 230 F HA -0.229 4.294 4.527 -0.007 0.000 0.299 230 F C 2.515 178.313 175.800 -0.003 0.000 1.096 230 F CA 1.885 59.881 58.000 -0.007 0.000 1.255 230 F CB -0.342 38.651 39.000 -0.011 0.000 0.997 230 F HN 0.186 nan 8.300 nan 0.000 0.479 231 Q N -0.199 119.622 119.800 0.034 0.000 2.079 231 Q HA -0.166 4.169 4.340 -0.007 0.000 0.200 231 Q C 2.347 178.291 176.000 -0.093 0.000 0.974 231 Q CA 1.412 57.182 55.803 -0.055 0.000 0.840 231 Q CB -0.357 28.394 28.738 0.022 0.000 0.898 231 Q HN 0.485 nan 8.270 nan 0.000 0.430 232 A N 0.974 123.766 122.820 -0.048 0.000 1.933 232 A HA -0.205 4.111 4.320 -0.007 0.000 0.218 232 A C 1.490 179.030 177.584 -0.074 0.000 1.175 232 A CA 1.890 53.901 52.037 -0.043 0.000 0.628 232 A CB -0.347 18.645 19.000 -0.013 0.000 0.814 232 A HN 0.424 nan 8.150 nan 0.000 0.444 233 D N -1.382 118.952 120.400 -0.109 0.000 2.240 233 D HA -0.033 4.603 4.640 -0.007 0.000 0.206 233 D C 1.928 178.111 176.300 -0.195 0.000 0.963 233 D CA 1.872 55.798 54.000 -0.124 0.000 0.863 233 D CB -0.166 40.577 40.800 -0.096 0.000 0.973 233 D HN 0.634 nan 8.370 nan 0.000 0.501 234 T N -4.388 109.967 114.554 -0.331 0.000 2.959 234 T HA 0.386 4.732 4.350 -0.007 0.000 0.254 234 T C 1.687 176.240 174.700 -0.245 0.000 1.003 234 T CA 0.747 62.635 62.100 -0.355 0.000 0.950 234 T CB 1.055 69.518 68.868 -0.675 0.000 1.090 234 T HN 0.149 nan 8.240 nan 0.000 0.503 235 G N 1.875 110.553 108.800 -0.203 0.000 2.205 235 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.261 235 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.261 235 G C 0.064 174.916 174.900 -0.080 0.000 0.980 235 G CA 0.102 45.136 45.100 -0.109 0.000 0.632 235 G HN 0.675 nan 8.290 nan 0.000 0.533 236 I N 1.811 122.298 120.570 -0.137 0.000 2.436 236 I HA 0.270 4.436 4.170 -0.007 0.000 0.289 236 I C -0.056 176.133 176.117 0.120 0.000 1.083 236 I CA -0.186 61.123 61.300 0.016 0.000 1.372 236 I CB 0.926 38.981 38.000 0.092 0.000 1.408 236 I HN 0.097 nan 8.210 nan 0.000 0.516 237 D N 8.429 128.905 120.400 0.127 0.000 2.412 237 D HA 0.423 5.059 4.640 -0.007 0.000 0.224 237 D C -0.529 175.864 176.300 0.155 0.000 1.093 237 D CA -0.247 53.827 54.000 0.124 0.000 0.850 237 D CB 0.629 41.477 40.800 0.081 0.000 1.046 237 D HN 0.275 nan 8.370 nan 0.000 0.507 238 I N 3.197 123.857 120.570 0.150 0.000 2.359 238 I HA 0.281 4.447 4.170 -0.007 0.000 0.294 238 I C 0.337 176.493 176.117 0.065 0.000 0.987 238 I CA -0.907 60.462 61.300 0.115 0.000 1.225 238 I CB 1.479 39.521 38.000 0.070 0.000 1.366 238 I HN 0.246 nan 8.210 nan 0.000 0.466 239 D N 6.236 126.689 120.400 0.088 0.000 2.432 239 D HA 0.588 5.224 4.640 -0.007 0.000 0.258 239 D C -0.316 176.018 176.300 0.056 0.000 1.146 239 D CA -0.260 53.792 54.000 0.088 0.000 1.015 239 D CB 1.537 42.422 40.800 0.143 0.000 1.107 239 D HN 0.303 nan 8.370 nan 0.000 0.529 240 M N -0.089 119.550 119.600 0.065 0.000 2.591 240 M HA 0.279 4.755 4.480 -0.007 0.000 0.306 240 M C -1.034 175.299 176.300 0.054 0.000 1.190 240 M CA -0.734 54.582 55.300 0.027 0.000 0.889 240 M CB 2.677 35.275 32.600 -0.003 0.000 1.728 240 M HN 0.344 nan 8.290 nan 0.000 0.458 241 H N 2.196 121.226 119.070 -0.067 0.000 2.744 241 H HA 0.505 5.057 4.556 -0.007 0.000 0.339 241 H C -1.642 173.620 175.328 -0.109 0.000 1.004 241 H CA -0.619 55.392 56.048 -0.062 0.000 1.257 241 H CB 1.010 30.762 29.762 -0.017 0.000 1.552 241 H HN 0.498 nan 8.280 nan 0.000 0.522 242 I N 4.270 124.440 120.570 -0.666 0.000 2.325 242 I HA 0.090 4.255 4.170 -0.007 0.000 0.291 242 I C 0.322 176.188 176.117 -0.419 0.000 1.019 242 I CA -0.402 60.638 61.300 -0.434 0.000 1.302 242 I CB 0.796 38.582 38.000 -0.356 0.000 1.401 242 I HN 0.736 nan 8.210 nan 0.000 0.485 243 D N 6.750 127.112 120.400 -0.063 0.000 2.453 243 D HA 0.306 4.942 4.640 -0.007 0.000 0.223 243 D C 0.314 176.649 176.300 0.058 0.000 1.183 243 D CA -0.226 53.875 54.000 0.168 0.000 0.933 243 D CB 0.865 41.923 40.800 0.429 0.000 1.038 243 D HN 0.606 nan 8.370 nan 0.000 0.513 244 A N 3.439 126.235 122.820 -0.041 0.000 2.842 244 A HA 0.518 4.834 4.320 -0.007 0.000 0.298 244 A C 1.753 179.372 177.584 0.059 0.000 1.293 244 A CA 0.261 52.256 52.037 -0.070 0.000 0.959 244 A CB -0.116 18.678 19.000 -0.343 0.000 1.119 244 A HN 0.563 nan 8.150 nan 0.000 0.564 245 A N 0.775 123.675 122.820 0.133 0.000 1.896 245 A HA -0.255 4.060 4.320 -0.007 0.000 0.220 245 A C 2.490 180.249 177.584 0.292 0.000 1.206 245 A CA 2.888 55.045 52.037 0.200 0.000 0.647 245 A CB -0.710 18.382 19.000 0.153 0.000 0.828 245 A HN 1.178 nan 8.150 nan 0.000 0.455 246 S N -2.017 113.848 115.700 0.275 0.000 2.510 246 S HA 0.250 4.716 4.470 -0.007 0.000 0.230 246 S C 2.096 176.873 174.600 0.294 0.000 1.066 246 S CA 0.928 59.395 58.200 0.445 0.000 0.941 246 S CB -1.040 62.472 63.200 0.519 0.000 0.829 246 S HN 0.777 nan 8.310 nan 0.000 0.530 247 G N 1.437 110.287 108.800 0.083 0.000 2.470 247 G HA2 0.104 4.060 3.960 -0.007 0.000 0.220 247 G HA3 0.104 4.060 3.960 -0.007 0.000 0.220 247 G C 1.361 176.193 174.900 -0.114 0.000 1.121 247 G CA 0.608 45.658 45.100 -0.083 0.000 0.766 247 G HN 0.659 nan 8.290 nan 0.000 0.553 248 G N 0.004 108.745 108.800 -0.099 0.000 2.470 248 G HA2 -0.077 3.878 3.960 -0.007 0.000 0.220 248 G HA3 -0.077 3.878 3.960 -0.007 0.000 0.220 248 G C 0.891 175.833 174.900 0.071 0.000 1.121 248 G CA 0.278 45.316 45.100 -0.104 0.000 0.766 248 G HN 0.365 nan 8.290 nan 0.000 0.553 249 F N -0.384 119.834 119.950 0.446 0.000 2.708 249 F HA 0.510 5.032 4.527 -0.007 0.000 0.300 249 F C 1.353 177.490 175.800 0.562 0.000 1.118 249 F CA -0.410 57.905 58.000 0.524 0.000 1.307 249 F CB 0.448 39.800 39.000 0.587 0.000 0.986 249 F HN -0.014 nan 8.300 nan 0.000 0.522 250 L N -1.439 120.058 121.223 0.457 0.000 2.862 250 L HA 0.309 4.645 4.340 -0.007 0.000 0.169 250 L C 2.433 179.508 176.870 0.341 0.000 1.164 250 L CA 0.755 55.842 54.840 0.411 0.000 0.858 250 L CB -0.949 41.218 42.059 0.180 0.000 1.329 250 L HN -0.037 nan 8.230 nan 0.000 0.514 251 A N 0.970 123.909 122.820 0.199 0.000 1.948 251 A HA -0.139 4.176 4.320 -0.007 0.000 0.220 251 A C -0.439 177.252 177.584 0.179 0.000 1.177 251 A CA 2.066 54.208 52.037 0.175 0.000 0.636 251 A CB -1.880 17.161 19.000 0.068 0.000 0.815 251 A HN 0.273 nan 8.150 nan 0.000 0.449 252 P HA -0.112 nan 4.420 nan 0.000 0.219 252 P C 0.711 177.868 177.300 -0.238 0.000 1.146 252 P CA 1.064 64.090 63.100 -0.123 0.000 0.808 252 P CB -0.093 31.368 31.700 -0.399 0.000 0.779 253 F N -1.715 118.354 119.950 0.199 0.000 2.437 253 F HA 0.035 4.557 4.527 -0.007 0.000 0.288 253 F C 1.998 177.884 175.800 0.143 0.000 1.085 253 F CA 0.576 58.678 58.000 0.169 0.000 1.430 253 F CB -1.066 38.065 39.000 0.218 0.000 1.120 253 F HN -0.239 nan 8.300 nan 0.000 0.556 254 V N -3.240 116.859 119.914 0.309 0.000 3.605 254 V HA 0.668 4.784 4.120 -0.007 0.000 0.284 254 V C 0.608 176.746 176.094 0.073 0.000 1.386 254 V CA 0.481 62.877 62.300 0.160 0.000 1.053 254 V CB -0.081 31.800 31.823 0.097 0.000 0.857 254 V HN 0.110 nan 8.190 nan 0.000 0.436 255 A N 1.243 124.130 122.820 0.111 0.000 3.448 255 A HA 0.596 4.912 4.320 -0.007 0.000 0.232 255 A C -1.304 176.361 177.584 0.136 0.000 1.018 255 A CA -0.220 51.876 52.037 0.099 0.000 0.996 255 A CB 0.181 19.247 19.000 0.109 0.000 1.283 255 A HN 0.285 nan 8.150 nan 0.000 0.586 256 P HA -0.168 nan 4.420 nan 0.000 0.221 256 P C 0.337 177.691 177.300 0.091 0.000 1.145 256 P CA 1.151 64.324 63.100 0.122 0.000 0.795 256 P CB 0.280 32.039 31.700 0.097 0.000 0.775 257 D N 0.009 120.448 120.400 0.065 0.000 2.312 257 D HA 0.022 4.658 4.640 -0.007 0.000 0.211 257 D C 1.081 177.401 176.300 0.034 0.000 0.964 257 D CA 0.394 54.410 54.000 0.026 0.000 0.877 257 D CB -0.213 40.594 40.800 0.011 0.000 0.924 257 D HN 0.306 nan 8.370 nan 0.000 0.515 258 I N 1.713 122.349 120.570 0.110 0.000 2.517 258 I HA -0.048 4.118 4.170 -0.007 0.000 0.285 258 I C 0.081 176.285 176.117 0.146 0.000 1.106 258 I CA -0.172 61.228 61.300 0.167 0.000 1.402 258 I CB 1.067 39.254 38.000 0.312 0.000 1.399 258 I HN -0.349 nan 8.210 nan 0.000 0.535 259 V N 8.160 128.086 119.914 0.021 0.000 2.339 259 V HA 0.113 4.229 4.120 -0.007 0.000 0.261 259 V C 0.470 176.479 176.094 -0.143 0.000 1.058 259 V CA -0.123 62.092 62.300 -0.141 0.000 0.897 259 V CB 0.180 31.895 31.823 -0.180 0.000 1.052 259 V HN 0.948 nan 8.190 nan 0.000 0.480 260 W N 3.478 124.518 121.300 -0.433 0.000 2.199 260 W HA 0.246 4.902 4.660 -0.007 0.000 0.264 260 W C -0.041 176.075 176.519 -0.671 0.000 0.923 260 W CA 0.152 57.116 57.345 -0.635 0.000 1.221 260 W CB -0.190 28.526 29.460 -1.240 0.000 0.974 260 W HN 0.626 nan 8.180 nan 0.000 0.562 261 D N 0.957 120.401 120.400 -1.594 0.000 2.440 261 D HA 0.165 4.801 4.640 -0.007 0.000 0.282 261 D C 0.895 176.676 176.300 -0.864 0.000 1.189 261 D CA -0.391 52.640 54.000 -1.615 0.000 1.105 261 D CB -0.508 39.217 40.800 -1.791 0.000 1.173 261 D HN -0.243 nan 8.370 nan 0.000 0.577 262 F N -0.535 119.139 119.950 -0.461 0.000 2.583 262 F HA 0.107 4.630 4.527 -0.007 0.000 0.297 262 F C 2.275 177.939 175.800 -0.226 0.000 1.131 262 F CA 0.399 58.253 58.000 -0.243 0.000 1.467 262 F CB -0.567 38.363 39.000 -0.116 0.000 1.097 262 F HN 0.061 nan 8.300 nan 0.000 0.586 263 R N -0.118 120.262 120.500 -0.199 0.000 2.193 263 R HA -0.022 4.314 4.340 -0.007 0.000 0.229 263 R C 0.319 176.477 176.300 -0.236 0.000 1.110 263 R CA 0.496 56.452 56.100 -0.239 0.000 0.988 263 R CB -0.205 29.859 30.300 -0.393 0.000 0.871 263 R HN 0.224 nan 8.270 nan 0.000 0.458 264 L N 1.394 122.449 121.223 -0.281 0.000 2.260 264 L HA 0.199 4.535 4.340 -0.007 0.000 0.289 264 L C -1.687 175.129 176.870 -0.089 0.000 1.057 264 L CA -2.029 52.587 54.840 -0.373 0.000 0.811 264 L CB 1.434 43.206 42.059 -0.478 0.000 1.184 264 L HN -0.191 nan 8.230 nan 0.000 0.429 265 P HA -0.185 nan 4.420 nan 0.000 0.216 265 P C 1.177 178.613 177.300 0.226 0.000 1.154 265 P CA 1.504 64.696 63.100 0.153 0.000 0.865 265 P CB 0.136 31.934 31.700 0.163 0.000 0.789 266 R N -1.033 119.703 120.500 0.393 0.000 2.280 266 R HA 0.030 4.366 4.340 -0.007 0.000 0.207 266 R C 0.161 176.559 176.300 0.164 0.000 1.043 266 R CA 0.243 56.464 56.100 0.201 0.000 1.006 266 R CB -0.484 29.824 30.300 0.014 0.000 0.885 266 R HN 0.098 nan 8.270 nan 0.000 0.467 267 V N 2.293 122.300 119.914 0.155 0.000 2.397 267 V HA 0.003 4.119 4.120 -0.007 0.000 0.262 267 V C 0.707 176.953 176.094 0.254 0.000 1.047 267 V CA 0.489 62.840 62.300 0.084 0.000 1.003 267 V CB 1.110 32.857 31.823 -0.128 0.000 1.037 267 V HN 0.034 nan 8.190 nan 0.000 0.480 268 K N 2.573 123.127 120.400 0.258 0.000 2.323 268 K HA 0.164 4.480 4.320 -0.007 0.000 0.197 268 K C 0.632 177.510 176.600 0.464 0.000 1.043 268 K CA 0.403 56.903 56.287 0.356 0.000 0.997 268 K CB 0.411 33.103 32.500 0.320 0.000 0.807 268 K HN 0.825 nan 8.250 nan 0.000 0.497 269 S N -0.979 114.915 115.700 0.322 0.000 2.547 269 S HA 0.666 5.132 4.470 -0.007 0.000 0.270 269 S C -0.829 173.636 174.600 -0.224 0.000 1.150 269 S CA -1.070 57.208 58.200 0.131 0.000 0.850 269 S CB 1.444 64.607 63.200 -0.062 0.000 1.118 269 S HN -0.040 nan 8.310 nan 0.000 0.461 270 I N 1.711 122.111 120.570 -0.283 0.000 2.722 270 I HA 0.622 4.787 4.170 -0.007 0.000 0.295 270 I C -0.611 175.375 176.117 -0.219 0.000 1.161 270 I CA -0.635 60.308 61.300 -0.595 0.000 1.032 270 I CB 2.687 40.099 38.000 -0.980 0.000 1.244 270 I HN 0.945 nan 8.210 nan 0.000 0.421 271 S N 3.612 119.191 115.700 -0.202 0.000 2.570 271 S HA 0.993 5.459 4.470 -0.007 0.000 0.286 271 S C -0.805 173.896 174.600 0.168 0.000 1.099 271 S CA -0.677 57.616 58.200 0.156 0.000 0.913 271 S CB 2.639 65.994 63.200 0.257 0.000 1.085 271 S HN 0.964 nan 8.310 nan 0.000 0.480 272 A N 0.972 124.028 122.820 0.393 0.000 2.610 272 A HA 0.810 5.126 4.320 -0.007 0.000 0.291 272 A C -0.778 177.076 177.584 0.451 0.000 1.086 272 A CA -0.835 51.453 52.037 0.417 0.000 0.677 272 A CB 1.282 20.589 19.000 0.512 0.000 1.278 272 A HN 0.819 nan 8.150 nan 0.000 0.414 273 S N 0.396 116.341 115.700 0.409 0.000 2.420 273 S HA 0.445 4.911 4.470 -0.007 0.000 0.313 273 S C 1.360 176.132 174.600 0.286 0.000 1.079 273 S CA 0.120 58.414 58.200 0.157 0.000 1.104 273 S CB 1.206 64.449 63.200 0.071 0.000 0.969 273 S HN 1.241 nan 8.310 nan 0.000 0.471 274 G N 2.154 111.045 108.800 0.152 0.000 2.408 274 G HA2 -0.188 3.768 3.960 -0.007 0.000 0.217 274 G HA3 -0.188 3.768 3.960 -0.007 0.000 0.217 274 G C 1.031 175.946 174.900 0.026 0.000 1.150 274 G CA 0.416 45.601 45.100 0.142 0.000 0.776 274 G HN 0.928 nan 8.290 nan 0.000 0.542 275 H N -0.437 118.683 119.070 0.083 0.000 2.556 275 H HA 0.321 4.872 4.556 -0.007 0.000 0.268 275 H C 1.371 176.704 175.328 0.008 0.000 0.996 275 H CA 0.306 56.369 56.048 0.025 0.000 1.157 275 H CB 0.238 29.995 29.762 -0.007 0.000 1.355 275 H HN 0.271 nan 8.280 nan 0.000 0.597 276 K N 0.454 120.981 120.400 0.211 0.000 4.183 276 K HA 0.162 4.478 4.320 -0.007 0.000 0.171 276 K C 0.781 177.348 176.600 -0.054 0.000 1.146 276 K CA -0.422 55.910 56.287 0.075 0.000 1.795 276 K CB 0.052 32.680 32.500 0.213 0.000 2.483 276 K HN 0.009 nan 8.250 nan 0.000 0.523 277 F N 1.403 121.531 119.950 0.297 0.000 2.802 277 F HA 0.056 4.578 4.527 -0.007 0.000 0.300 277 F C 1.868 177.862 175.800 0.323 0.000 1.168 277 F CA 0.488 58.667 58.000 0.299 0.000 1.433 277 F CB -0.302 38.904 39.000 0.342 0.000 1.115 277 F HN 0.462 nan 8.300 nan 0.000 0.582 278 G N -0.471 108.468 108.800 0.231 0.000 2.598 278 G HA2 -0.035 3.920 3.960 -0.007 0.000 0.215 278 G HA3 -0.035 3.920 3.960 -0.007 0.000 0.215 278 G C 1.201 176.128 174.900 0.044 0.000 1.131 278 G CA 0.418 45.290 45.100 -0.379 0.000 0.785 278 G HN 0.459 nan 8.290 nan 0.000 0.539 279 L N -2.323 118.954 121.223 0.090 0.000 4.937 279 L HA -0.203 4.133 4.340 -0.007 0.000 0.422 279 L C 1.292 178.200 176.870 0.063 0.000 1.059 279 L CA 0.007 54.881 54.840 0.056 0.000 1.111 279 L CB -2.249 39.801 42.059 -0.014 0.000 2.033 279 L HN 0.403 nan 8.230 nan 0.000 0.708 280 A N 0.461 123.313 122.820 0.053 0.000 2.287 280 A HA 0.750 5.065 4.320 -0.007 0.000 0.273 280 A C -1.891 175.738 177.584 0.075 0.000 1.091 280 A CA -0.922 51.149 52.037 0.056 0.000 0.817 280 A CB 0.226 19.251 19.000 0.041 0.000 1.069 280 A HN 0.078 nan 8.150 nan 0.000 0.492 281 P HA 0.205 nan 4.420 nan 0.000 0.274 281 P C -0.410 176.916 177.300 0.043 0.000 1.237 281 P CA -0.278 62.829 63.100 0.012 0.000 0.793 281 P CB 0.428 32.097 31.700 -0.052 0.000 0.977 282 L N 1.172 122.386 121.223 -0.015 0.000 2.678 282 L HA 0.037 4.373 4.340 -0.007 0.000 0.285 282 L C 1.601 178.473 176.870 0.002 0.000 1.233 282 L CA 1.638 56.425 54.840 -0.089 0.000 0.920 282 L CB -1.083 40.870 42.059 -0.177 0.000 1.176 282 L HN 0.921 nan 8.230 nan 0.000 0.495 283 G N 2.080 110.994 108.800 0.190 0.000 2.145 283 G HA2 -0.179 3.776 3.960 -0.007 0.000 0.145 283 G HA3 -0.179 3.776 3.960 -0.007 0.000 0.145 283 G C -0.436 174.459 174.900 -0.007 0.000 1.017 283 G CA -0.309 44.836 45.100 0.076 0.000 0.682 283 G HN 0.724 nan 8.290 nan 0.000 0.504 284 C N 0.699 120.024 119.300 0.042 0.000 2.481 284 C HA 0.919 5.374 4.460 -0.007 0.000 0.324 284 C C 0.616 175.298 174.990 -0.513 0.000 1.170 284 C CA 0.660 59.497 59.018 -0.301 0.000 1.361 284 C CB 0.614 28.239 27.740 -0.192 0.000 1.977 284 C HN 1.375 nan 8.230 nan 0.000 0.459 285 G N 3.498 111.916 108.800 -0.637 0.000 2.672 285 G HA2 0.803 4.759 3.960 -0.007 0.000 0.292 285 G HA3 0.803 4.759 3.960 -0.007 0.000 0.292 285 G C -2.132 172.373 174.900 -0.658 0.000 1.375 285 G CA -0.532 44.290 45.100 -0.464 0.000 0.890 285 G HN 0.737 nan 8.290 nan 0.000 0.476 286 W N -0.610 120.790 121.300 0.167 0.000 3.138 286 W HA 0.603 5.260 4.660 -0.006 0.000 0.331 286 W C -0.895 175.755 176.519 0.219 0.000 1.166 286 W CA -0.930 56.538 57.345 0.204 0.000 1.212 286 W CB 2.559 32.176 29.460 0.261 0.000 1.399 286 W HN 0.426 nan 8.180 nan 0.000 0.514 287 V N 5.507 125.658 119.914 0.396 0.000 2.623 287 V HA 0.630 4.746 4.120 -0.007 0.000 0.304 287 V C -1.345 174.819 176.094 0.118 0.000 1.054 287 V CA -0.781 61.617 62.300 0.163 0.000 0.882 287 V CB 1.080 32.834 31.823 -0.114 0.000 1.002 287 V HN 0.436 nan 8.190 nan 0.000 0.424 288 I N 6.084 126.752 120.570 0.164 0.000 2.603 288 I HA 0.550 4.716 4.170 -0.007 0.000 0.300 288 I C -0.544 175.652 176.117 0.131 0.000 1.017 288 I CA -0.622 60.845 61.300 0.278 0.000 1.098 288 I CB 2.078 40.400 38.000 0.537 0.000 1.279 288 I HN 0.602 nan 8.210 nan 0.000 0.437 289 W N 4.263 125.733 121.300 0.283 0.000 2.627 289 W HA 0.386 5.042 4.660 -0.007 0.000 0.339 289 W C 1.407 177.823 176.519 -0.172 0.000 1.058 289 W CA -0.595 56.856 57.345 0.176 0.000 1.223 289 W CB 1.948 31.504 29.460 0.159 0.000 1.389 289 W HN 0.664 nan 8.180 nan 0.000 0.541 290 R N 0.848 121.313 120.500 -0.057 0.000 2.113 290 R HA -0.229 4.106 4.340 -0.007 0.000 0.244 290 R C -0.152 176.028 176.300 -0.200 0.000 1.142 290 R CA 2.626 58.481 56.100 -0.409 0.000 0.953 290 R CB 0.001 30.258 30.300 -0.071 0.000 0.860 290 R HN 0.634 nan 8.270 nan 0.000 0.438 291 D N -3.483 116.914 120.400 -0.004 0.000 2.779 291 D HA 0.053 4.688 4.640 -0.007 0.000 0.331 291 D C 0.030 176.353 176.300 0.038 0.000 1.331 291 D CA -0.707 53.294 54.000 0.002 0.000 0.866 291 D CB 0.057 40.849 40.800 -0.013 0.000 1.409 291 D HN -0.197 nan 8.370 nan 0.000 0.486 292 E N 0.175 120.380 120.200 0.009 0.000 2.085 292 E HA -0.225 4.120 4.350 -0.007 0.000 0.194 292 E C 1.472 178.054 176.600 -0.031 0.000 0.994 292 E CA 1.466 57.856 56.400 -0.017 0.000 0.801 292 E CB -0.091 29.596 29.700 -0.021 0.000 0.743 292 E HN 0.742 nan 8.360 nan 0.000 0.453 293 E N 0.663 120.861 120.200 -0.003 0.000 2.153 293 E HA -0.153 4.192 4.350 -0.007 0.000 0.194 293 E C 1.900 178.516 176.600 0.025 0.000 0.988 293 E CA 0.985 57.389 56.400 0.007 0.000 0.811 293 E CB -0.016 29.698 29.700 0.023 0.000 0.746 293 E HN 0.180 nan 8.360 nan 0.000 0.466 294 A N 0.714 123.574 122.820 0.066 0.000 2.067 294 A HA -0.040 4.275 4.320 -0.007 0.000 0.219 294 A C 1.141 178.734 177.584 0.016 0.000 1.158 294 A CA 0.431 52.560 52.037 0.153 0.000 0.661 294 A CB -0.106 19.086 19.000 0.320 0.000 0.801 294 A HN 0.292 nan 8.150 nan 0.000 0.452 295 L N 0.886 121.980 121.223 -0.216 0.000 2.277 295 L HA 0.493 4.828 4.340 -0.007 0.000 0.284 295 L C -2.842 173.811 176.870 -0.362 0.000 1.028 295 L CA -2.539 51.965 54.840 -0.560 0.000 0.835 295 L CB 1.155 42.706 42.059 -0.847 0.000 1.215 295 L HN -0.149 nan 8.230 nan 0.000 0.425 296 P HA 0.083 nan 4.420 nan 0.000 0.265 296 P C 0.110 177.222 177.300 -0.313 0.000 1.222 296 P CA -0.081 62.900 63.100 -0.198 0.000 0.767 296 P CB 0.548 32.206 31.700 -0.071 0.000 0.801 297 Q N 2.296 121.967 119.800 -0.216 0.000 2.297 297 Q HA -0.203 4.133 4.340 -0.007 0.000 0.208 297 Q C 1.082 176.923 176.000 -0.264 0.000 0.981 297 Q CA 1.638 57.306 55.803 -0.226 0.000 0.876 297 Q CB -0.116 28.537 28.738 -0.142 0.000 0.921 297 Q HN 0.558 nan 8.270 nan 0.000 0.446 298 E N -0.115 119.953 120.200 -0.219 0.000 2.338 298 E HA -0.080 4.265 4.350 -0.007 0.000 0.197 298 E C 1.449 177.811 176.600 -0.396 0.000 1.007 298 E CA 0.496 56.768 56.400 -0.214 0.000 0.849 298 E CB -0.020 29.699 29.700 0.031 0.000 0.774 298 E HN 0.300 nan 8.360 nan 0.000 0.506 299 L N 0.002 120.888 121.223 -0.562 0.000 2.592 299 L HA 0.146 4.482 4.340 -0.007 0.000 0.227 299 L C -0.089 176.501 176.870 -0.466 0.000 1.127 299 L CA -0.214 54.221 54.840 -0.674 0.000 0.884 299 L CB 0.515 41.837 42.059 -1.228 0.000 1.065 299 L HN -0.082 nan 8.230 nan 0.000 0.457 300 V N 0.211 119.891 119.914 -0.390 0.000 2.394 300 V HA 0.299 4.414 4.120 -0.007 0.000 0.282 300 V C -0.457 175.566 176.094 -0.119 0.000 1.031 300 V CA -0.362 61.864 62.300 -0.125 0.000 0.881 300 V CB 1.383 33.114 31.823 -0.153 0.000 0.982 300 V HN -0.073 nan 8.190 nan 0.000 0.451 301 F N 3.195 123.176 119.950 0.052 0.000 2.436 301 F HA 0.489 5.012 4.527 -0.007 0.000 0.340 301 F C 0.663 176.510 175.800 0.078 0.000 1.113 301 F CA -0.789 57.249 58.000 0.062 0.000 1.022 301 F CB 1.293 40.348 39.000 0.092 0.000 1.128 301 F HN 0.400 nan 8.300 nan 0.000 0.466 302 N N 2.097 120.896 118.700 0.166 0.000 2.529 302 N HA 0.439 5.175 4.740 -0.007 0.000 0.278 302 N C -0.937 174.647 175.510 0.123 0.000 1.146 302 N CA -0.135 52.991 53.050 0.125 0.000 0.980 302 N CB 1.940 40.462 38.487 0.058 0.000 1.124 302 N HN 0.226 nan 8.380 nan 0.000 0.458 303 V N 1.571 121.529 119.914 0.075 0.000 2.588 303 V HA 0.184 4.300 4.120 -0.007 0.000 0.304 303 V C -0.255 175.639 176.094 -0.332 0.000 1.042 303 V CA -1.020 61.225 62.300 -0.091 0.000 0.877 303 V CB 2.135 33.899 31.823 -0.098 0.000 0.996 303 V HN 0.487 nan 8.190 nan 0.000 0.425 304 D N 2.791 123.000 120.400 -0.318 0.000 2.414 304 D HA 0.422 5.058 4.640 -0.007 0.000 0.242 304 D C -0.963 175.014 176.300 -0.538 0.000 1.129 304 D CA 0.827 54.663 54.000 -0.273 0.000 0.885 304 D CB 0.717 41.438 40.800 -0.132 0.000 1.198 304 D HN 0.429 nan 8.370 nan 0.000 0.437 305 Y N -0.160 120.151 120.300 0.017 0.000 2.581 305 Y HA 0.150 4.696 4.550 -0.006 0.000 0.337 305 Y C 1.016 176.915 175.900 -0.003 0.000 1.108 305 Y CA -0.773 57.328 58.100 0.001 0.000 1.033 305 Y CB 0.984 39.436 38.460 -0.013 0.000 1.318 305 Y HN 0.134 nan 8.280 nan 0.000 0.459 306 L N 1.101 122.417 121.223 0.155 0.000 2.043 306 L HA -0.170 4.166 4.340 -0.007 0.000 0.212 306 L C 1.929 178.838 176.870 0.066 0.000 1.075 306 L CA 2.040 56.927 54.840 0.078 0.000 0.752 306 L CB -0.347 41.740 42.059 0.048 0.000 0.891 306 L HN 1.014 nan 8.230 nan 0.000 0.432 307 G N -0.925 107.917 108.800 0.070 0.000 3.124 307 G HA2 0.385 4.340 3.960 -0.007 0.000 0.212 307 G HA3 0.385 4.340 3.960 -0.007 0.000 0.212 307 G C 0.510 175.443 174.900 0.055 0.000 1.181 307 G CA 0.502 45.625 45.100 0.040 0.000 0.803 307 G HN 0.559 nan 8.290 nan 0.000 0.529 308 G N -0.405 108.450 108.800 0.091 0.000 2.576 308 G HA2 0.113 4.069 3.960 -0.007 0.000 0.686 308 G HA3 0.113 4.069 3.960 -0.007 0.000 0.686 308 G C -0.282 174.716 174.900 0.164 0.000 1.242 308 G CA -0.438 44.717 45.100 0.090 0.000 0.819 308 G HN 0.808 nan 8.290 nan 0.000 0.655 309 Q N 0.117 119.995 119.800 0.130 0.000 2.373 309 Q HA 0.682 5.018 4.340 -0.007 0.000 0.255 309 Q C -0.048 176.080 176.000 0.213 0.000 0.980 309 Q CA -0.273 55.632 55.803 0.170 0.000 0.882 309 Q CB 1.304 30.080 28.738 0.065 0.000 1.249 309 Q HN 0.623 nan 8.270 nan 0.000 0.438 310 I N 1.097 121.865 120.570 0.330 0.000 2.545 310 I HA 0.402 4.568 4.170 -0.007 0.000 0.292 310 I C 0.129 176.373 176.117 0.212 0.000 1.040 310 I CA -1.176 60.262 61.300 0.230 0.000 1.068 310 I CB 2.200 40.294 38.000 0.156 0.000 1.251 310 I HN 0.857 nan 8.210 nan 0.000 0.424 311 G N 2.488 111.369 108.800 0.135 0.000 2.415 311 G HA2 0.462 4.418 3.960 -0.007 0.000 0.269 311 G HA3 0.462 4.418 3.960 -0.007 0.000 0.269 311 G C -0.552 174.451 174.900 0.173 0.000 1.209 311 G CA -0.023 45.163 45.100 0.142 0.000 0.835 311 G HN 0.507 nan 8.290 nan 0.000 0.534 312 T N 0.580 115.281 114.554 0.244 0.000 2.893 312 T HA 0.536 4.882 4.350 -0.007 0.000 0.293 312 T C -1.710 173.244 174.700 0.424 0.000 1.027 312 T CA -0.587 61.687 62.100 0.290 0.000 0.988 312 T CB 1.015 70.038 68.868 0.260 0.000 1.043 312 T HN 0.359 nan 8.240 nan 0.000 0.461 313 F N 4.910 124.999 119.950 0.232 0.000 2.552 313 F HA 0.789 5.312 4.527 -0.008 0.000 0.369 313 F C -0.612 175.345 175.800 0.261 0.000 1.112 313 F CA -1.186 56.939 58.000 0.209 0.000 1.129 313 F CB 0.165 39.222 39.000 0.096 0.000 1.360 313 F HN 0.806 nan 8.300 nan 0.000 0.473 314 A N 5.371 128.309 122.820 0.196 0.000 2.612 314 A HA 0.583 4.898 4.320 -0.007 0.000 0.293 314 A C -0.089 177.542 177.584 0.077 0.000 1.075 314 A CA -0.606 51.472 52.037 0.068 0.000 0.680 314 A CB 0.802 19.965 19.000 0.272 0.000 1.279 314 A HN 0.545 nan 8.150 nan 0.000 0.411 315 I N 0.452 121.038 120.570 0.025 0.000 2.584 315 I HA -0.031 4.134 4.170 -0.007 0.000 0.255 315 I C 0.717 176.884 176.117 0.085 0.000 1.145 315 I CA 0.493 61.830 61.300 0.061 0.000 1.462 315 I CB -0.034 38.002 38.000 0.061 0.000 1.102 315 I HN 0.547 nan 8.210 nan 0.000 0.433 316 N N -0.244 118.511 118.700 0.092 0.000 2.447 316 N HA 0.250 4.986 4.740 -0.007 0.000 0.271 316 N C -0.112 175.588 175.510 0.317 0.000 1.226 316 N CA -0.201 52.931 53.050 0.136 0.000 0.980 316 N CB 1.877 40.383 38.487 0.031 0.000 1.206 316 N HN -0.086 nan 8.380 nan 0.000 0.558 317 F N 0.066 120.088 119.950 0.120 0.000 2.021 317 F HA 0.286 4.810 4.527 -0.005 0.000 0.211 317 F C 0.442 176.370 175.800 0.214 0.000 1.258 317 F CA -0.150 57.956 58.000 0.176 0.000 1.286 317 F CB -0.369 38.689 39.000 0.098 0.000 1.870 317 F HN 0.185 nan 8.300 nan 0.000 0.187 318 S N 2.668 118.521 115.700 0.255 0.000 2.537 318 S HA 0.484 4.950 4.470 -0.007 0.000 0.286 318 S C -0.611 174.055 174.600 0.110 0.000 1.299 318 S CA -0.236 58.041 58.200 0.128 0.000 1.067 318 S CB -0.213 63.085 63.200 0.162 0.000 0.864 318 S HN 0.492 nan 8.310 nan 0.000 0.494 319 R N 1.732 122.283 120.500 0.085 0.000 2.753 319 R HA 0.408 4.744 4.340 -0.007 0.000 0.272 319 R C -3.662 172.648 176.300 0.017 0.000 1.034 319 R CA -1.733 54.381 56.100 0.024 0.000 0.869 319 R CB 0.483 30.759 30.300 -0.040 0.000 1.264 319 R HN 0.296 nan 8.270 nan 0.000 0.481 320 P HA 0.138 nan 4.420 nan 0.000 0.275 320 P C -0.229 177.049 177.300 -0.036 0.000 1.228 320 P CA -0.275 62.793 63.100 -0.053 0.000 0.786 320 P CB 1.651 33.310 31.700 -0.069 0.000 0.927 321 A N 2.440 125.252 122.820 -0.013 0.000 2.308 321 A HA 0.254 4.570 4.320 -0.007 0.000 0.217 321 A C 2.092 179.684 177.584 0.014 0.000 1.216 321 A CA 0.791 52.864 52.037 0.059 0.000 0.864 321 A CB -1.121 17.941 19.000 0.104 0.000 0.902 321 A HN 0.607 nan 8.150 nan 0.000 0.499 322 G N 0.059 108.840 108.800 -0.030 0.000 2.442 322 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.219 322 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.219 322 G C 1.430 176.319 174.900 -0.019 0.000 1.141 322 G CA 1.227 46.310 45.100 -0.028 0.000 0.763 322 G HN 0.552 nan 8.290 nan 0.000 0.554 323 Q N -0.276 119.499 119.800 -0.042 0.000 2.167 323 Q HA 0.063 4.399 4.340 -0.007 0.000 0.202 323 Q C 2.779 178.782 176.000 0.005 0.000 0.970 323 Q CA 0.798 56.578 55.803 -0.038 0.000 0.855 323 Q CB -0.251 28.438 28.738 -0.082 0.000 0.911 323 Q HN 0.359 nan 8.270 nan 0.000 0.438 324 V N 0.402 120.328 119.914 0.021 0.000 2.358 324 V HA -0.241 3.875 4.120 -0.007 0.000 0.246 324 V C 1.976 178.177 176.094 0.177 0.000 1.047 324 V CA 1.555 63.940 62.300 0.142 0.000 1.035 324 V CB -0.404 31.537 31.823 0.196 0.000 0.658 324 V HN 0.370 nan 8.190 nan 0.000 0.452 325 I N 0.382 121.032 120.570 0.133 0.000 2.226 325 I HA -0.243 3.923 4.170 -0.007 0.000 0.245 325 I C 2.635 178.859 176.117 0.178 0.000 1.100 325 I CA 1.550 62.946 61.300 0.161 0.000 1.374 325 I CB -0.563 37.499 38.000 0.102 0.000 1.057 325 I HN 0.293 nan 8.210 nan 0.000 0.413 326 A N 0.084 122.965 122.820 0.103 0.000 1.930 326 A HA -0.274 4.042 4.320 -0.007 0.000 0.217 326 A C 2.230 179.883 177.584 0.114 0.000 1.175 326 A CA 1.831 53.931 52.037 0.105 0.000 0.627 326 A CB -0.590 18.430 19.000 0.034 0.000 0.815 326 A HN 0.429 nan 8.150 nan 0.000 0.443 327 Q N -1.358 118.468 119.800 0.044 0.000 2.084 327 Q HA -0.223 4.113 4.340 -0.007 0.000 0.202 327 Q C 1.840 177.613 176.000 -0.380 0.000 0.978 327 Q CA 2.248 57.958 55.803 -0.156 0.000 0.844 327 Q CB -0.631 28.100 28.738 -0.012 0.000 0.898 327 Q HN 0.686 nan 8.270 nan 0.000 0.426 328 Y N -0.238 119.932 120.300 -0.216 0.000 2.224 328 Y HA -0.265 4.281 4.550 -0.007 0.000 0.289 328 Y C 2.006 177.924 175.900 0.030 0.000 1.146 328 Y CA 1.775 59.814 58.100 -0.101 0.000 1.182 328 Y CB -0.776 37.720 38.460 0.061 0.000 0.983 328 Y HN 0.383 nan 8.280 nan 0.000 0.524 329 Y N 1.173 121.434 120.300 -0.066 0.000 2.165 329 Y HA -0.219 4.327 4.550 -0.007 0.000 0.286 329 Y C 2.158 178.014 175.900 -0.075 0.000 1.155 329 Y CA 2.238 60.279 58.100 -0.098 0.000 1.164 329 Y CB -0.394 38.055 38.460 -0.018 0.000 0.978 329 Y HN 0.109 nan 8.280 nan 0.000 0.513 330 E N -0.125 119.984 120.200 -0.152 0.000 2.077 330 E HA -0.168 4.178 4.350 -0.007 0.000 0.193 330 E C 2.115 178.769 176.600 0.090 0.000 0.989 330 E CA 1.149 57.458 56.400 -0.152 0.000 0.800 330 E CB -0.672 29.033 29.700 0.008 0.000 0.746 330 E HN 0.460 nan 8.360 nan 0.000 0.452 331 F N 0.973 120.933 119.950 0.017 0.000 2.102 331 F HA -0.099 4.424 4.527 -0.007 0.000 0.298 331 F C 2.501 178.238 175.800 -0.105 0.000 1.105 331 F CA 0.461 58.485 58.000 0.040 0.000 1.239 331 F CB -1.229 37.778 39.000 0.011 0.000 0.991 331 F HN -0.008 nan 8.300 nan 0.000 0.474 332 L N -0.478 120.686 121.223 -0.098 0.000 2.017 332 L HA -0.211 4.124 4.340 -0.007 0.000 0.208 332 L C 2.875 179.637 176.870 -0.179 0.000 1.073 332 L CA 1.348 56.058 54.840 -0.216 0.000 0.745 332 L CB -0.361 41.452 42.059 -0.410 0.000 0.894 332 L HN 0.070 nan 8.230 nan 0.000 0.432 333 R N 0.243 120.560 120.500 -0.305 0.000 2.090 333 R HA -0.108 4.228 4.340 -0.007 0.000 0.228 333 R C 2.078 178.269 176.300 -0.181 0.000 1.110 333 R CA 1.298 57.215 56.100 -0.304 0.000 0.973 333 R CB -0.097 29.840 30.300 -0.605 0.000 0.869 333 R HN 0.361 nan 8.270 nan 0.000 0.440 334 L N -0.617 120.518 121.223 -0.146 0.000 2.189 334 L HA 0.198 4.534 4.340 -0.007 0.000 0.199 334 L C 1.363 178.248 176.870 0.025 0.000 1.074 334 L CA 0.640 55.419 54.840 -0.102 0.000 0.783 334 L CB -0.670 41.223 42.059 -0.277 0.000 0.955 334 L HN 0.441 nan 8.230 nan 0.000 0.460 335 G N 0.122 109.006 108.800 0.139 0.000 2.752 335 G HA2 -0.317 3.639 3.960 -0.007 0.000 0.234 335 G HA3 -0.317 3.639 3.960 -0.007 0.000 0.234 335 G C 0.400 175.398 174.900 0.162 0.000 1.367 335 G CA 0.292 45.464 45.100 0.120 0.000 0.879 335 G HN 0.229 nan 8.290 nan 0.000 0.563 336 R N 0.117 120.713 120.500 0.160 0.000 2.096 336 R HA -0.050 4.285 4.340 -0.007 0.000 0.235 336 R C 2.590 178.974 176.300 0.141 0.000 1.127 336 R CA 1.822 58.074 56.100 0.255 0.000 0.968 336 R CB -0.260 30.201 30.300 0.268 0.000 0.861 336 R HN 0.757 nan 8.270 nan 0.000 0.440 337 E N 0.103 120.355 120.200 0.086 0.000 2.038 337 E HA -0.173 4.173 4.350 -0.007 0.000 0.195 337 E C 2.018 178.620 176.600 0.002 0.000 1.000 337 E CA 1.588 58.016 56.400 0.047 0.000 0.803 337 E CB -0.251 29.466 29.700 0.029 0.000 0.750 337 E HN 0.394 nan 8.360 nan 0.000 0.448 338 G N -0.860 107.922 108.800 -0.030 0.000 2.408 338 G HA2 -0.245 3.710 3.960 -0.007 0.000 0.217 338 G HA3 -0.245 3.710 3.960 -0.007 0.000 0.217 338 G C 1.167 175.946 174.900 -0.202 0.000 1.150 338 G CA 0.787 45.821 45.100 -0.111 0.000 0.776 338 G HN 0.305 nan 8.290 nan 0.000 0.542 339 Y N 1.312 121.411 120.300 -0.334 0.000 2.242 339 Y HA -0.087 4.459 4.550 -0.007 0.000 0.291 339 Y C 3.316 178.989 175.900 -0.379 0.000 1.137 339 Y CA 1.758 59.522 58.100 -0.561 0.000 1.181 339 Y CB -0.277 37.295 38.460 -1.479 0.000 0.989 339 Y HN 0.141 nan 8.280 nan 0.000 0.527 340 T N -0.296 114.212 114.554 -0.077 0.000 2.746 340 T HA -0.186 4.160 4.350 -0.007 0.000 0.267 340 T C 1.787 176.518 174.700 0.053 0.000 1.039 340 T CA 1.626 63.779 62.100 0.088 0.000 1.142 340 T CB -0.160 68.793 68.868 0.140 0.000 0.866 340 T HN 0.242 nan 8.240 nan 0.000 0.444 341 K N 0.408 120.802 120.400 -0.009 0.000 2.057 341 K HA -0.012 4.304 4.320 -0.007 0.000 0.206 341 K C 2.316 178.888 176.600 -0.047 0.000 1.050 341 K CA 0.812 57.084 56.287 -0.024 0.000 0.935 341 K CB -0.357 32.113 32.500 -0.050 0.000 0.715 341 K HN 0.108 nan 8.250 nan 0.000 0.439 342 V N 1.644 121.495 119.914 -0.105 0.000 2.270 342 V HA -0.246 3.870 4.120 -0.007 0.000 0.245 342 V C 2.275 178.351 176.094 -0.030 0.000 1.043 342 V CA 1.617 63.837 62.300 -0.134 0.000 1.014 342 V CB -0.424 31.249 31.823 -0.250 0.000 0.645 342 V HN 0.342 nan 8.190 nan 0.000 0.447 343 Q N -0.101 119.733 119.800 0.057 0.000 2.167 343 Q HA -0.157 4.178 4.340 -0.007 0.000 0.202 343 Q C 1.968 178.101 176.000 0.221 0.000 0.970 343 Q CA 1.407 57.304 55.803 0.155 0.000 0.855 343 Q CB -0.820 28.099 28.738 0.302 0.000 0.911 343 Q HN 0.731 nan 8.270 nan 0.000 0.438 344 N N 0.561 119.376 118.700 0.193 0.000 2.166 344 N HA -0.108 4.628 4.740 -0.007 0.000 0.186 344 N C 1.716 177.304 175.510 0.130 0.000 1.019 344 N CA 0.854 54.020 53.050 0.193 0.000 0.856 344 N CB -0.003 38.548 38.487 0.107 0.000 0.993 344 N HN 0.254 nan 8.380 nan 0.000 0.426 345 A N 0.268 123.119 122.820 0.052 0.000 1.930 345 A HA -0.073 4.243 4.320 -0.007 0.000 0.217 345 A C 2.318 179.908 177.584 0.011 0.000 1.175 345 A CA 1.314 53.354 52.037 0.005 0.000 0.627 345 A CB -0.400 18.571 19.000 -0.050 0.000 0.815 345 A HN 0.157 nan 8.150 nan 0.000 0.443 346 S N -1.529 114.174 115.700 0.005 0.000 2.371 346 S HA -0.087 4.379 4.470 -0.007 0.000 0.224 346 S C 1.809 176.383 174.600 -0.043 0.000 1.029 346 S CA 1.224 59.409 58.200 -0.025 0.000 0.978 346 S CB -0.494 62.669 63.200 -0.062 0.000 0.833 346 S HN 0.650 nan 8.310 nan 0.000 0.466 347 Y N 1.984 122.299 120.300 0.025 0.000 2.242 347 Y HA -0.121 4.425 4.550 -0.007 0.000 0.291 347 Y C 2.700 178.610 175.900 0.016 0.000 1.137 347 Y CA 1.266 59.371 58.100 0.007 0.000 1.181 347 Y CB -0.565 37.893 38.460 -0.004 0.000 0.989 347 Y HN 0.312 nan 8.280 nan 0.000 0.527 348 Q N -0.106 119.795 119.800 0.168 0.000 2.084 348 Q HA -0.170 4.166 4.340 -0.007 0.000 0.202 348 Q C 2.154 178.208 176.000 0.090 0.000 0.978 348 Q CA 2.151 58.011 55.803 0.096 0.000 0.844 348 Q CB -0.249 28.514 28.738 0.041 0.000 0.898 348 Q HN 0.333 nan 8.270 nan 0.000 0.426 349 V N 1.040 120.994 119.914 0.068 0.000 2.307 349 V HA -0.262 3.854 4.120 -0.007 0.000 0.245 349 V C 2.423 178.611 176.094 0.156 0.000 1.045 349 V CA 1.763 64.113 62.300 0.083 0.000 1.024 349 V CB -1.078 30.763 31.823 0.029 0.000 0.651 349 V HN 0.550 nan 8.190 nan 0.000 0.449 350 A N 0.060 122.955 122.820 0.126 0.000 1.883 350 A HA -0.182 4.134 4.320 -0.007 0.000 0.217 350 A C 2.428 180.063 177.584 0.084 0.000 1.186 350 A CA 2.339 54.439 52.037 0.105 0.000 0.624 350 A CB -0.891 18.144 19.000 0.059 0.000 0.822 350 A HN 0.585 nan 8.150 nan 0.000 0.444 351 A N -1.603 121.275 122.820 0.097 0.000 1.902 351 A HA -0.108 4.207 4.320 -0.007 0.000 0.217 351 A C 2.145 179.749 177.584 0.034 0.000 1.181 351 A CA 1.739 53.805 52.037 0.048 0.000 0.623 351 A CB -0.845 18.191 19.000 0.059 0.000 0.818 351 A HN 0.759 nan 8.150 nan 0.000 0.443 352 Y N 0.586 120.863 120.300 -0.039 0.000 2.128 352 Y HA -0.200 4.345 4.550 -0.007 0.000 0.284 352 Y C 1.968 177.820 175.900 -0.080 0.000 1.154 352 Y CA 1.921 59.985 58.100 -0.059 0.000 1.149 352 Y CB -0.432 37.997 38.460 -0.051 0.000 0.976 352 Y HN 0.217 nan 8.280 nan 0.000 0.505 353 L N -0.420 120.742 121.223 -0.103 0.000 2.083 353 L HA -0.229 4.107 4.340 -0.007 0.000 0.209 353 L C 2.758 179.483 176.870 -0.242 0.000 1.083 353 L CA 1.183 55.898 54.840 -0.208 0.000 0.752 353 L CB -0.971 41.078 42.059 -0.017 0.000 0.899 353 L HN 0.365 nan 8.230 nan 0.000 0.433 354 A N -0.187 122.529 122.820 -0.172 0.000 1.898 354 A HA -0.280 4.036 4.320 -0.007 0.000 0.216 354 A C 1.953 179.273 177.584 -0.439 0.000 1.181 354 A CA 2.088 53.973 52.037 -0.254 0.000 0.620 354 A CB -0.582 18.276 19.000 -0.237 0.000 0.819 354 A HN 0.442 nan 8.150 nan 0.000 0.442 355 D N -0.774 119.418 120.400 -0.348 0.000 2.117 355 D HA -0.130 4.506 4.640 -0.007 0.000 0.198 355 D C 1.937 178.048 176.300 -0.315 0.000 0.982 355 D CA 1.378 55.185 54.000 -0.322 0.000 0.828 355 D CB 0.001 40.667 40.800 -0.223 0.000 0.967 355 D HN 0.377 nan 8.370 nan 0.000 0.464 356 E N 0.036 119.994 120.200 -0.403 0.000 2.072 356 E HA -0.071 4.275 4.350 -0.007 0.000 0.190 356 E C 2.451 178.869 176.600 -0.304 0.000 0.982 356 E CA 0.437 56.605 56.400 -0.387 0.000 0.803 356 E CB -0.127 29.221 29.700 -0.586 0.000 0.755 356 E HN 0.489 nan 8.360 nan 0.000 0.453 357 I N 1.237 121.601 120.570 -0.344 0.000 2.394 357 I HA -0.205 3.961 4.170 -0.007 0.000 0.251 357 I C 2.439 178.552 176.117 -0.007 0.000 1.136 357 I CA 0.768 61.857 61.300 -0.352 0.000 1.425 357 I CB -0.317 37.332 38.000 -0.584 0.000 1.079 357 I HN -0.024 nan 8.210 nan 0.000 0.425 358 A N 1.090 123.945 122.820 0.058 0.000 1.978 358 A HA -0.224 4.091 4.320 -0.007 0.000 0.220 358 A C 2.177 179.812 177.584 0.086 0.000 1.170 358 A CA 1.577 53.741 52.037 0.212 0.000 0.636 358 A CB -0.434 18.491 19.000 -0.125 0.000 0.810 358 A HN 0.382 nan 8.150 nan 0.000 0.448 359 K N -0.499 119.890 120.400 -0.019 0.000 2.486 359 K HA 0.175 4.490 4.320 -0.007 0.000 0.194 359 K C 0.842 177.437 176.600 -0.008 0.000 1.033 359 K CA 0.489 56.757 56.287 -0.031 0.000 1.004 359 K CB -0.083 32.379 32.500 -0.064 0.000 0.798 359 K HN 0.498 nan 8.250 nan 0.000 0.495 360 L N -0.612 120.633 121.223 0.038 0.000 2.693 360 L HA 0.254 4.590 4.340 -0.007 0.000 0.235 360 L C 0.813 177.723 176.870 0.067 0.000 1.127 360 L CA -0.458 54.438 54.840 0.094 0.000 0.914 360 L CB 0.725 42.879 42.059 0.157 0.000 1.193 360 L HN 0.092 nan 8.230 nan 0.000 0.502 361 G N -0.049 108.625 108.800 -0.209 0.000 2.506 361 G HA2 0.321 4.277 3.960 -0.007 0.000 0.292 361 G HA3 0.321 4.277 3.960 -0.007 0.000 0.292 361 G C -2.989 171.370 174.900 -0.901 0.000 1.425 361 G CA -0.481 44.204 45.100 -0.693 0.000 0.788 361 G HN -0.316 nan 8.290 nan 0.000 0.490 362 P HA 0.269 nan 4.420 nan 0.000 0.237 362 P C -1.313 175.837 177.300 -0.251 0.000 1.788 362 P CA 0.014 62.908 63.100 -0.343 0.000 1.061 362 P CB -0.501 31.078 31.700 -0.202 0.000 1.967 363 Y N -0.383 119.956 120.300 0.065 0.000 2.446 363 Y HA 0.475 5.021 4.550 -0.007 0.000 0.338 363 Y C 0.920 176.836 175.900 0.027 0.000 1.055 363 Y CA -1.605 56.503 58.100 0.014 0.000 1.101 363 Y CB 1.607 39.982 38.460 -0.143 0.000 1.221 363 Y HN 0.193 nan 8.280 nan 0.000 0.460 364 E N 2.541 122.833 120.200 0.153 0.000 2.145 364 E HA 0.376 4.722 4.350 -0.007 0.000 0.262 364 E C -1.690 174.957 176.600 0.078 0.000 0.883 364 E CA -0.552 55.940 56.400 0.153 0.000 0.748 364 E CB 0.597 30.360 29.700 0.104 0.000 1.140 364 E HN 0.462 nan 8.360 nan 0.000 0.417 365 F N 4.150 124.184 119.950 0.139 0.000 2.412 365 F HA 0.252 4.775 4.527 -0.007 0.000 0.348 365 F C 1.239 177.094 175.800 0.091 0.000 1.102 365 F CA -0.231 57.847 58.000 0.129 0.000 1.196 365 F CB 0.759 39.799 39.000 0.066 0.000 1.144 365 F HN 0.544 nan 8.300 nan 0.000 0.541 366 I N 0.663 121.362 120.570 0.214 0.000 3.339 366 I HA 0.072 4.238 4.170 -0.007 0.000 0.285 366 I C 0.228 176.422 176.117 0.129 0.000 1.201 366 I CA 0.603 61.986 61.300 0.139 0.000 1.434 366 I CB 0.593 38.644 38.000 0.084 0.000 1.152 366 I HN 0.478 nan 8.210 nan 0.000 0.443 367 C N 0.706 120.107 119.300 0.167 0.000 2.686 367 C HA 0.488 4.944 4.460 -0.007 0.000 0.318 367 C C 0.800 175.890 174.990 0.167 0.000 1.160 367 C CA -0.194 58.889 59.018 0.109 0.000 1.396 367 C CB 1.131 28.902 27.740 0.052 0.000 1.924 367 C HN 0.475 nan 8.230 nan 0.000 0.471 368 T N 0.090 114.693 114.554 0.081 0.000 3.288 368 T HA 0.425 4.771 4.350 -0.007 0.000 0.293 368 T C 1.043 175.757 174.700 0.023 0.000 1.008 368 T CA 0.735 62.856 62.100 0.035 0.000 0.929 368 T CB -0.012 68.808 68.868 -0.081 0.000 1.152 368 T HN 2.325 nan 8.240 nan 0.000 0.517 369 G N 2.210 111.041 108.800 0.052 0.000 2.176 369 G HA2 -0.273 3.682 3.960 -0.007 0.000 0.252 369 G HA3 -0.273 3.682 3.960 -0.007 0.000 0.252 369 G C -0.014 174.995 174.900 0.182 0.000 1.024 369 G CA -0.325 44.849 45.100 0.123 0.000 0.755 369 G HN 0.708 nan 8.290 nan 0.000 0.507 370 R N -0.109 120.422 120.500 0.052 0.000 2.265 370 R HA 0.325 4.660 4.340 -0.007 0.000 0.314 370 R C -1.311 174.891 176.300 -0.163 0.000 1.053 370 R CA -1.659 54.415 56.100 -0.043 0.000 0.931 370 R CB 1.049 31.326 30.300 -0.039 0.000 1.024 370 R HN 0.046 nan 8.270 nan 0.000 0.457 371 P HA -0.206 nan 4.420 nan 0.000 0.216 371 P C 0.349 177.548 177.300 -0.167 0.000 1.150 371 P CA 1.340 64.027 63.100 -0.688 0.000 0.843 371 P CB 0.195 31.489 31.700 -0.678 0.000 0.787 372 D N -1.141 119.226 120.400 -0.055 0.000 2.347 372 D HA -0.110 4.526 4.640 -0.007 0.000 0.215 372 D C 1.474 177.932 176.300 0.264 0.000 0.976 372 D CA 0.923 54.989 54.000 0.109 0.000 0.884 372 D CB -0.747 40.083 40.800 0.050 0.000 0.915 372 D HN 0.241 nan 8.370 nan 0.000 0.526 373 E N -0.492 119.775 120.200 0.111 0.000 2.290 373 E HA 0.360 4.706 4.350 -0.007 0.000 0.197 373 E C 1.005 177.425 176.600 -0.299 0.000 0.948 373 E CA 0.415 56.867 56.400 0.088 0.000 0.895 373 E CB 0.813 30.521 29.700 0.012 0.000 0.865 373 E HN 0.334 nan 8.360 nan 0.000 0.486 374 G N 0.873 109.304 108.800 -0.615 0.000 2.435 374 G HA2 0.239 4.195 3.960 -0.007 0.000 0.228 374 G HA3 0.239 4.195 3.960 -0.007 0.000 0.228 374 G C -1.084 173.281 174.900 -0.892 0.000 1.198 374 G CA -0.576 43.655 45.100 -1.448 0.000 0.948 374 G HN 0.114 nan 8.290 nan 0.000 0.487 375 I N -1.134 119.031 120.570 -0.673 0.000 3.110 375 I HA 0.625 4.791 4.170 -0.007 0.000 0.314 375 I C -2.335 173.572 176.117 -0.349 0.000 1.020 375 I CA -2.313 58.715 61.300 -0.453 0.000 1.169 375 I CB 1.725 39.465 38.000 -0.433 0.000 1.437 375 I HN 0.087 nan 8.210 nan 0.000 0.595 376 P HA 0.244 nan 4.420 nan 0.000 0.241 376 P C -0.982 176.197 177.300 -0.203 0.000 1.760 376 P CA 0.231 62.995 63.100 -0.559 0.000 1.081 376 P CB -0.118 31.147 31.700 -0.725 0.000 1.975 377 A N 1.191 123.941 122.820 -0.116 0.000 2.527 377 A HA 0.731 5.046 4.320 -0.007 0.000 0.293 377 A C -1.200 176.395 177.584 0.018 0.000 1.117 377 A CA -0.632 51.370 52.037 -0.058 0.000 0.723 377 A CB 1.577 20.528 19.000 -0.082 0.000 1.313 377 A HN 0.045 nan 8.150 nan 0.000 0.411 378 V N 0.109 120.060 119.914 0.062 0.000 2.483 378 V HA 0.540 4.656 4.120 -0.007 0.000 0.297 378 V C -0.781 175.431 176.094 0.197 0.000 1.027 378 V CA -0.513 61.884 62.300 0.163 0.000 0.855 378 V CB 1.067 32.996 31.823 0.178 0.000 0.995 378 V HN 1.073 nan 8.190 nan 0.000 0.424 379 C N 7.813 127.249 119.300 0.227 0.000 2.431 379 C HA 0.937 5.393 4.460 -0.007 0.000 0.321 379 C C -0.833 174.234 174.990 0.128 0.000 1.202 379 C CA -0.662 58.418 59.018 0.103 0.000 1.398 379 C CB 0.122 27.891 27.740 0.048 0.000 2.047 379 C HN 0.847 nan 8.230 nan 0.000 0.465 380 F N 3.844 123.600 119.950 -0.322 0.000 2.685 380 F HA 0.861 5.384 4.527 -0.007 0.000 0.315 380 F C -0.973 174.599 175.800 -0.380 0.000 1.126 380 F CA -1.088 56.611 58.000 -0.502 0.000 0.950 380 F CB 1.061 39.375 39.000 -1.143 0.000 1.360 380 F HN 0.651 nan 8.300 nan 0.000 0.469 381 K N 0.962 121.236 120.400 -0.211 0.000 2.509 381 K HA 0.707 5.023 4.320 -0.007 0.000 0.266 381 K C -1.790 174.837 176.600 0.044 0.000 0.987 381 K CA -0.997 55.178 56.287 -0.187 0.000 0.868 381 K CB 2.390 34.811 32.500 -0.132 0.000 1.421 381 K HN 0.828 nan 8.250 nan 0.000 0.444 382 L N 2.178 123.435 121.223 0.057 0.000 2.397 382 L HA 0.227 4.563 4.340 -0.007 0.000 0.271 382 L C 0.263 177.168 176.870 0.060 0.000 1.148 382 L CA -0.529 54.393 54.840 0.137 0.000 0.825 382 L CB 0.584 42.673 42.059 0.051 0.000 1.117 382 L HN 0.584 nan 8.230 nan 0.000 0.456 383 K N 1.821 122.255 120.400 0.056 0.000 2.469 383 K HA 0.016 4.331 4.320 -0.007 0.000 0.274 383 K C -0.563 176.041 176.600 0.008 0.000 0.983 383 K CA -0.498 55.808 56.287 0.031 0.000 0.974 383 K CB 0.249 32.762 32.500 0.020 0.000 0.913 383 K HN 0.435 nan 8.250 nan 0.000 0.493 384 D N 0.969 121.373 120.400 0.008 0.000 2.493 384 D HA 0.024 4.660 4.640 -0.007 0.000 0.240 384 D C 1.355 177.650 176.300 -0.007 0.000 1.142 384 D CA 1.305 55.304 54.000 -0.000 0.000 0.872 384 D CB 1.026 41.828 40.800 0.004 0.000 1.173 384 D HN 0.793 nan 8.370 nan 0.000 0.467 385 G N 2.512 111.304 108.800 -0.013 0.000 2.498 385 G HA2 -0.273 3.683 3.960 -0.007 0.000 0.229 385 G HA3 -0.273 3.683 3.960 -0.007 0.000 0.229 385 G C 0.272 175.154 174.900 -0.029 0.000 1.156 385 G CA -0.193 44.896 45.100 -0.017 0.000 0.680 385 G HN 0.527 nan 8.290 nan 0.000 0.512 386 E N 1.835 122.013 120.200 -0.036 0.000 2.415 386 E HA 0.369 4.714 4.350 -0.007 0.000 0.263 386 E C -0.631 175.919 176.600 -0.083 0.000 0.995 386 E CA 0.488 56.853 56.400 -0.058 0.000 0.915 386 E CB 1.253 30.913 29.700 -0.066 0.000 0.951 386 E HN 0.457 nan 8.360 nan 0.000 0.449 387 D N 3.430 123.772 120.400 -0.097 0.000 2.375 387 D HA 0.183 4.819 4.640 -0.007 0.000 0.259 387 D C -1.689 174.514 176.300 -0.162 0.000 1.235 387 D CA -1.557 52.368 54.000 -0.125 0.000 0.924 387 D CB 0.856 41.610 40.800 -0.077 0.000 1.143 387 D HN 0.101 nan 8.370 nan 0.000 0.529 388 P HA 0.189 nan 4.420 nan 0.000 0.242 388 P C 0.741 177.917 177.300 -0.208 0.000 1.197 388 P CA 0.535 63.462 63.100 -0.288 0.000 0.765 388 P CB 0.416 31.827 31.700 -0.482 0.000 0.936 389 G N -0.330 108.350 108.800 -0.200 0.000 2.138 389 G HA2 -0.138 3.818 3.960 -0.007 0.000 0.193 389 G HA3 -0.138 3.818 3.960 -0.007 0.000 0.193 389 G C -0.287 174.677 174.900 0.107 0.000 0.998 389 G CA -0.131 44.961 45.100 -0.014 0.000 0.668 389 G HN 0.576 nan 8.290 nan 0.000 0.516 390 Y N -2.154 118.179 120.300 0.054 0.000 2.687 390 Y HA 0.689 5.235 4.550 -0.007 0.000 0.338 390 Y C -0.198 175.742 175.900 0.066 0.000 1.189 390 Y CA -0.824 57.314 58.100 0.064 0.000 1.097 390 Y CB 0.203 38.704 38.460 0.069 0.000 1.342 390 Y HN 0.812 nan 8.280 nan 0.000 0.461 391 T N -0.752 113.969 114.554 0.277 0.000 2.923 391 T HA 0.492 4.838 4.350 -0.007 0.000 0.281 391 T C 0.643 175.507 174.700 0.273 0.000 0.995 391 T CA -0.866 61.347 62.100 0.188 0.000 0.985 391 T CB 1.154 70.134 68.868 0.187 0.000 1.114 391 T HN 0.848 nan 8.240 nan 0.000 0.548 392 L N -0.536 120.721 121.223 0.057 0.000 2.217 392 L HA 0.010 4.346 4.340 -0.007 0.000 0.211 392 L C 2.342 179.159 176.870 -0.089 0.000 1.107 392 L CA 1.032 55.829 54.840 -0.072 0.000 0.783 392 L CB -0.618 41.242 42.059 -0.333 0.000 0.919 392 L HN 0.681 nan 8.230 nan 0.000 0.442 393 Y N 0.492 120.796 120.300 0.008 0.000 2.181 393 Y HA -0.250 4.295 4.550 -0.007 0.000 0.288 393 Y C 2.499 178.411 175.900 0.020 0.000 1.146 393 Y CA 1.202 59.307 58.100 0.009 0.000 1.164 393 Y CB -0.461 38.013 38.460 0.023 0.000 0.982 393 Y HN 0.244 nan 8.280 nan 0.000 0.515 394 D N -0.292 120.238 120.400 0.216 0.000 2.117 394 D HA -0.158 4.478 4.640 -0.007 0.000 0.197 394 D C 2.207 178.531 176.300 0.039 0.000 0.987 394 D CA 1.019 55.101 54.000 0.137 0.000 0.829 394 D CB -0.542 40.362 40.800 0.174 0.000 0.961 394 D HN 0.250 nan 8.370 nan 0.000 0.460 395 L N 0.851 122.062 121.223 -0.021 0.000 2.046 395 L HA -0.116 4.220 4.340 -0.007 0.000 0.208 395 L C 2.325 179.118 176.870 -0.128 0.000 1.077 395 L CA 1.451 56.179 54.840 -0.187 0.000 0.747 395 L CB -0.779 41.106 42.059 -0.291 0.000 0.896 395 L HN -0.117 nan 8.230 nan 0.000 0.432 396 S N -0.956 114.712 115.700 -0.054 0.000 2.368 396 S HA -0.265 4.200 4.470 -0.007 0.000 0.225 396 S C 2.065 176.681 174.600 0.026 0.000 1.030 396 S CA 1.592 59.786 58.200 -0.009 0.000 0.999 396 S CB -0.333 62.883 63.200 0.028 0.000 0.844 396 S HN 0.656 nan 8.310 nan 0.000 0.459 397 E N 0.034 120.256 120.200 0.037 0.000 2.072 397 E HA -0.145 4.201 4.350 -0.007 0.000 0.191 397 E C 2.325 178.927 176.600 0.004 0.000 0.985 397 E CA 0.739 57.160 56.400 0.035 0.000 0.801 397 E CB -0.037 29.689 29.700 0.044 0.000 0.750 397 E HN 0.249 nan 8.360 nan 0.000 0.452 398 R N 0.400 120.886 120.500 -0.024 0.000 2.091 398 R HA -0.120 4.216 4.340 -0.007 0.000 0.238 398 R C 2.518 178.801 176.300 -0.028 0.000 1.136 398 R CA 0.937 57.002 56.100 -0.057 0.000 0.959 398 R CB -0.928 29.324 30.300 -0.081 0.000 0.856 398 R HN 0.337 nan 8.270 nan 0.000 0.437 399 L N 0.022 121.242 121.223 -0.005 0.000 2.083 399 L HA -0.105 4.231 4.340 -0.007 0.000 0.209 399 L C 2.745 179.714 176.870 0.165 0.000 1.083 399 L CA 1.144 56.044 54.840 0.100 0.000 0.752 399 L CB -0.361 41.744 42.059 0.077 0.000 0.899 399 L HN 0.134 nan 8.230 nan 0.000 0.433 400 R N 0.133 120.692 120.500 0.098 0.000 2.105 400 R HA -0.146 4.190 4.340 -0.007 0.000 0.239 400 R C 2.249 178.572 176.300 0.039 0.000 1.135 400 R CA 1.219 57.368 56.100 0.082 0.000 0.967 400 R CB -0.263 30.072 30.300 0.058 0.000 0.861 400 R HN 0.359 nan 8.270 nan 0.000 0.442 401 L N -0.336 120.894 121.223 0.011 0.000 2.275 401 L HA -0.122 4.214 4.340 -0.007 0.000 0.215 401 L C 1.764 178.624 176.870 -0.017 0.000 1.119 401 L CA 1.029 55.853 54.840 -0.027 0.000 0.790 401 L CB -0.121 41.892 42.059 -0.077 0.000 0.919 401 L HN -0.014 nan 8.230 nan 0.000 0.443 402 R N -0.133 120.391 120.500 0.040 0.000 2.320 402 R HA 0.147 4.483 4.340 -0.007 0.000 0.211 402 R C 1.297 177.561 176.300 -0.059 0.000 0.931 402 R CA 0.669 56.807 56.100 0.064 0.000 1.071 402 R CB 0.062 30.510 30.300 0.247 0.000 1.025 402 R HN 0.331 nan 8.270 nan 0.000 0.495 403 G N -1.377 107.381 108.800 -0.070 0.000 2.195 403 G HA2 -0.249 3.707 3.960 -0.007 0.000 0.246 403 G HA3 -0.249 3.707 3.960 -0.007 0.000 0.246 403 G C -0.349 174.432 174.900 -0.198 0.000 0.984 403 G CA -0.215 44.774 45.100 -0.185 0.000 0.633 403 G HN 0.265 nan 8.290 nan 0.000 0.525 404 W N 0.466 121.790 121.300 0.040 0.000 2.376 404 W HA 0.688 5.343 4.660 -0.007 0.000 0.322 404 W C 0.448 176.984 176.519 0.028 0.000 1.160 404 W CA -0.797 56.575 57.345 0.045 0.000 1.218 404 W CB 1.179 30.679 29.460 0.066 0.000 1.205 404 W HN 0.108 nan 8.180 nan 0.000 0.559 405 Q N 2.673 122.644 119.800 0.285 0.000 2.462 405 Q HA 0.424 4.760 4.340 -0.007 0.000 0.247 405 Q C -1.602 174.489 176.000 0.153 0.000 1.044 405 Q CA -0.380 55.529 55.803 0.176 0.000 0.803 405 Q CB 0.908 29.723 28.738 0.129 0.000 1.190 405 Q HN 0.372 nan 8.270 nan 0.000 0.507 406 V N 7.550 127.539 119.914 0.124 0.000 2.304 406 V HA 0.444 4.560 4.120 -0.007 0.000 0.278 406 V C -2.112 174.011 176.094 0.047 0.000 1.018 406 V CA -1.695 60.644 62.300 0.065 0.000 0.814 406 V CB 1.159 33.007 31.823 0.042 0.000 1.021 406 V HN 0.732 nan 8.190 nan 0.000 0.440 407 P HA 0.249 nan 4.420 nan 0.000 0.267 407 P C -0.567 176.727 177.300 -0.011 0.000 1.205 407 P CA 0.251 63.436 63.100 0.142 0.000 0.765 407 P CB 1.379 33.246 31.700 0.278 0.000 0.828 408 A N 4.354 127.154 122.820 -0.033 0.000 2.355 408 A HA 0.864 5.180 4.320 -0.007 0.000 0.317 408 A C -0.785 176.683 177.584 -0.193 0.000 1.094 408 A CA -0.511 51.300 52.037 -0.377 0.000 0.764 408 A CB 0.696 19.435 19.000 -0.435 0.000 1.230 408 A HN 0.548 nan 8.150 nan 0.000 0.448 409 F N -0.925 118.880 119.950 -0.243 0.000 2.741 409 F HA 0.694 5.217 4.527 -0.006 0.000 0.311 409 F C -0.108 175.658 175.800 -0.056 0.000 1.149 409 F CA -0.562 57.407 58.000 -0.051 0.000 0.930 409 F CB 0.791 39.822 39.000 0.052 0.000 1.312 409 F HN 0.567 nan 8.300 nan 0.000 0.450 410 T N 0.743 115.494 114.554 0.329 0.000 2.889 410 T HA 0.690 5.036 4.350 -0.007 0.000 0.291 410 T C -0.079 174.777 174.700 0.260 0.000 0.995 410 T CA -0.679 61.543 62.100 0.204 0.000 1.092 410 T CB 0.976 69.956 68.868 0.188 0.000 0.954 410 T HN 0.750 nan 8.240 nan 0.000 0.506 411 L N 1.728 123.029 121.223 0.131 0.000 2.479 411 L HA 0.637 4.973 4.340 -0.007 0.000 0.249 411 L C 1.413 178.263 176.870 -0.034 0.000 1.178 411 L CA -0.845 54.023 54.840 0.046 0.000 0.811 411 L CB 0.223 42.276 42.059 -0.011 0.000 1.187 411 L HN 0.961 nan 8.230 nan 0.000 0.480 412 G N -1.659 107.045 108.800 -0.160 0.000 2.890 412 G HA2 0.545 4.501 3.960 -0.007 0.000 0.189 412 G HA3 0.545 4.501 3.960 -0.007 0.000 0.189 412 G C 0.291 175.137 174.900 -0.089 0.000 1.342 412 G CA -0.124 44.907 45.100 -0.116 0.000 1.026 412 G HN 0.957 nan 8.290 nan 0.000 0.579 413 G N -0.123 108.637 108.800 -0.067 0.000 2.651 413 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.315 413 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.315 413 G C 0.563 175.442 174.900 -0.035 0.000 1.258 413 G CA 1.070 46.141 45.100 -0.047 0.000 1.002 413 G HN 0.755 nan 8.290 nan 0.000 0.551 414 E N 1.392 121.570 120.200 -0.038 0.000 2.423 414 E HA 0.594 4.940 4.350 -0.007 0.000 0.198 414 E C 1.229 177.813 176.600 -0.027 0.000 1.038 414 E CA 0.840 57.223 56.400 -0.028 0.000 1.011 414 E CB 0.455 30.137 29.700 -0.029 0.000 1.118 414 E HN 0.988 nan 8.360 nan 0.000 0.451 415 A N -0.256 122.546 122.820 -0.030 0.000 2.624 415 A HA 0.073 4.389 4.320 -0.007 0.000 0.287 415 A C 1.544 179.119 177.584 -0.016 0.000 1.087 415 A CA -0.017 52.006 52.037 -0.025 0.000 0.964 415 A CB -0.321 18.660 19.000 -0.032 0.000 1.231 415 A HN 0.215 nan 8.150 nan 0.000 0.551 416 T N -2.645 111.903 114.554 -0.009 0.000 3.098 416 T HA -0.095 4.250 4.350 -0.007 0.000 0.266 416 T C 0.946 175.659 174.700 0.021 0.000 1.145 416 T CA 1.366 63.472 62.100 0.010 0.000 1.092 416 T CB -0.197 68.678 68.868 0.013 0.000 0.908 416 T HN 0.331 nan 8.240 nan 0.000 0.526 417 D N 0.632 121.038 120.400 0.010 0.000 2.328 417 D HA 0.153 4.789 4.640 -0.007 0.000 0.221 417 D C 0.010 176.312 176.300 0.004 0.000 1.072 417 D CA -0.106 53.901 54.000 0.012 0.000 0.850 417 D CB 0.057 40.860 40.800 0.006 0.000 0.922 417 D HN 0.480 nan 8.370 nan 0.000 0.516 418 I N 1.071 121.638 120.570 -0.005 0.000 2.404 418 I HA 0.222 4.388 4.170 -0.007 0.000 0.293 418 I C -0.352 175.727 176.117 -0.063 0.000 0.992 418 I CA -0.892 60.388 61.300 -0.034 0.000 1.149 418 I CB 2.421 40.399 38.000 -0.037 0.000 1.315 418 I HN -0.364 nan 8.210 nan 0.000 0.446 419 V N 6.784 126.622 119.914 -0.127 0.000 2.417 419 V HA 0.503 4.619 4.120 -0.007 0.000 0.291 419 V C -0.029 175.836 176.094 -0.382 0.000 1.024 419 V CA -0.575 61.570 62.300 -0.257 0.000 0.861 419 V CB 1.916 33.564 31.823 -0.292 0.000 0.985 419 V HN 0.557 nan 8.190 nan 0.000 0.436 420 V N 2.745 122.323 119.914 -0.560 0.000 3.074 420 V HA 0.768 4.884 4.120 -0.007 0.000 0.314 420 V C -0.614 174.922 176.094 -0.930 0.000 1.117 420 V CA -0.992 60.896 62.300 -0.688 0.000 1.014 420 V CB 2.200 33.691 31.823 -0.554 0.000 1.057 420 V HN 0.861 nan 8.190 nan 0.000 0.438 421 M N 2.914 121.931 119.600 -0.973 0.000 2.321 421 M HA 0.636 5.112 4.480 -0.007 0.000 0.315 421 M C -0.809 175.129 176.300 -0.604 0.000 1.052 421 M CA -0.612 54.177 55.300 -0.852 0.000 0.936 421 M CB 1.596 33.579 32.600 -1.028 0.000 1.639 421 M HN 0.949 nan 8.290 nan 0.000 0.433 422 R N 5.574 125.885 120.500 -0.314 0.000 2.480 422 R HA 0.654 4.990 4.340 -0.007 0.000 0.306 422 R C -1.925 174.361 176.300 -0.024 0.000 0.958 422 R CA -0.468 55.582 56.100 -0.084 0.000 0.861 422 R CB 1.282 31.629 30.300 0.078 0.000 1.171 422 R HN 0.825 nan 8.270 nan 0.000 0.445 423 I N 4.931 125.501 120.570 0.001 0.000 2.362 423 I HA 0.288 4.454 4.170 -0.007 0.000 0.289 423 I C -0.363 175.698 176.117 -0.094 0.000 0.994 423 I CA -0.947 60.332 61.300 -0.035 0.000 1.158 423 I CB 1.917 39.928 38.000 0.019 0.000 1.315 423 I HN 0.504 nan 8.210 nan 0.000 0.451 424 M N 6.811 126.299 119.600 -0.187 0.000 2.238 424 M HA 0.373 4.849 4.480 -0.007 0.000 0.350 424 M C -1.116 175.052 176.300 -0.220 0.000 1.138 424 M CA -0.053 55.100 55.300 -0.246 0.000 1.040 424 M CB 0.861 33.210 32.600 -0.418 0.000 1.639 424 M HN 0.575 nan 8.290 nan 0.000 0.451 425 C N 6.080 125.329 119.300 -0.085 0.000 2.242 425 C HA 0.553 5.009 4.460 -0.007 0.000 0.317 425 C C 0.338 175.370 174.990 0.070 0.000 1.087 425 C CA -0.899 58.148 59.018 0.049 0.000 1.535 425 C CB -0.909 26.939 27.740 0.180 0.000 1.893 425 C HN 0.838 nan 8.230 nan 0.000 0.426 426 R N 0.884 121.375 120.500 -0.015 0.000 2.549 426 R HA 0.478 4.814 4.340 -0.007 0.000 0.259 426 R C 0.468 176.746 176.300 -0.036 0.000 1.095 426 R CA -0.808 55.256 56.100 -0.060 0.000 1.148 426 R CB 0.862 31.064 30.300 -0.164 0.000 1.181 426 R HN 0.607 nan 8.270 nan 0.000 0.571 427 R N 0.117 120.548 120.500 -0.116 0.000 2.538 427 R HA -0.002 4.334 4.340 -0.007 0.000 0.282 427 R C 0.496 176.633 176.300 -0.273 0.000 1.009 427 R CA 1.596 57.546 56.100 -0.250 0.000 1.063 427 R CB 0.039 30.127 30.300 -0.353 0.000 0.945 427 R HN 0.902 nan 8.270 nan 0.000 0.414 428 G N 3.759 112.348 108.800 -0.352 0.000 2.284 428 G HA2 -0.280 3.676 3.960 -0.007 0.000 0.216 428 G HA3 -0.280 3.676 3.960 -0.007 0.000 0.216 428 G C -0.174 174.525 174.900 -0.336 0.000 1.009 428 G CA -0.022 44.927 45.100 -0.252 0.000 0.625 428 G HN 0.582 nan 8.290 nan 0.000 0.501 429 F N 4.585 124.306 119.950 -0.381 0.000 2.567 429 F HA 0.557 5.080 4.527 -0.007 0.000 0.352 429 F C 0.617 176.288 175.800 -0.214 0.000 1.229 429 F CA -1.340 56.428 58.000 -0.388 0.000 1.228 429 F CB 0.007 38.917 39.000 -0.150 0.000 1.568 429 F HN 0.093 nan 8.300 nan 0.000 0.634 430 E N 3.401 123.348 120.200 -0.421 0.000 2.376 430 E HA 0.006 4.352 4.350 -0.007 0.000 0.254 430 E C 1.258 177.757 176.600 -0.167 0.000 1.213 430 E CA -0.373 55.942 56.400 -0.141 0.000 0.945 430 E CB 0.579 30.340 29.700 0.102 0.000 1.057 430 E HN 0.594 nan 8.360 nan 0.000 0.479 431 M N 1.850 121.370 119.600 -0.133 0.000 2.106 431 M HA -0.201 4.275 4.480 -0.007 0.000 0.259 431 M C 1.263 177.485 176.300 -0.130 0.000 1.068 431 M CA 1.876 57.058 55.300 -0.197 0.000 1.100 431 M CB -0.435 32.025 32.600 -0.233 0.000 1.351 431 M HN 0.505 nan 8.290 nan 0.000 0.404 432 D N -1.306 119.076 120.400 -0.030 0.000 2.219 432 D HA -0.195 4.441 4.640 -0.007 0.000 0.205 432 D C 1.762 178.044 176.300 -0.029 0.000 0.970 432 D CA 1.273 55.245 54.000 -0.046 0.000 0.851 432 D CB -0.874 39.876 40.800 -0.084 0.000 0.943 432 D HN 0.409 nan 8.370 nan 0.000 0.488 433 F N 1.901 121.783 119.950 -0.114 0.000 2.206 433 F HA 0.139 4.662 4.527 -0.007 0.000 0.298 433 F C 2.901 178.676 175.800 -0.042 0.000 1.090 433 F CA 0.812 58.825 58.000 0.021 0.000 1.323 433 F CB -0.662 38.341 39.000 0.006 0.000 1.028 433 F HN 0.033 nan 8.300 nan 0.000 0.492 434 A N -0.053 122.659 122.820 -0.181 0.000 1.930 434 A HA -0.178 4.138 4.320 -0.007 0.000 0.217 434 A C 2.095 179.730 177.584 0.086 0.000 1.175 434 A CA 1.655 53.636 52.037 -0.095 0.000 0.627 434 A CB -0.725 18.221 19.000 -0.090 0.000 0.815 434 A HN 0.413 nan 8.150 nan 0.000 0.443 435 E N -0.764 119.496 120.200 0.100 0.000 2.077 435 E HA -0.186 4.160 4.350 -0.007 0.000 0.193 435 E C 1.913 178.580 176.600 0.111 0.000 0.989 435 E CA 1.222 57.700 56.400 0.130 0.000 0.800 435 E CB -0.230 29.510 29.700 0.067 0.000 0.746 435 E HN 0.524 nan 8.360 nan 0.000 0.452 436 L N 0.909 122.217 121.223 0.143 0.000 2.056 436 L HA -0.115 4.221 4.340 -0.007 0.000 0.207 436 L C 2.134 179.152 176.870 0.247 0.000 1.078 436 L CA 1.252 56.228 54.840 0.227 0.000 0.749 436 L CB -0.424 41.831 42.059 0.327 0.000 0.901 436 L HN 0.137 nan 8.230 nan 0.000 0.433 437 L N -0.819 120.449 121.223 0.074 0.000 2.046 437 L HA -0.186 4.150 4.340 -0.007 0.000 0.208 437 L C 2.262 179.065 176.870 -0.113 0.000 1.077 437 L CA 1.816 56.423 54.840 -0.388 0.000 0.747 437 L CB -0.585 41.050 42.059 -0.707 0.000 0.896 437 L HN 0.306 nan 8.230 nan 0.000 0.432 438 L N -0.823 120.382 121.223 -0.030 0.000 2.083 438 L HA -0.146 4.190 4.340 -0.007 0.000 0.209 438 L C 2.636 179.550 176.870 0.073 0.000 1.083 438 L CA 0.878 55.709 54.840 -0.016 0.000 0.752 438 L CB -0.673 41.353 42.059 -0.054 0.000 0.899 438 L HN 0.276 nan 8.230 nan 0.000 0.433 439 E N 0.134 120.389 120.200 0.093 0.000 2.077 439 E HA -0.195 4.151 4.350 -0.007 0.000 0.193 439 E C 1.797 178.479 176.600 0.137 0.000 0.989 439 E CA 1.134 57.600 56.400 0.110 0.000 0.800 439 E CB -0.255 29.511 29.700 0.110 0.000 0.746 439 E HN 0.464 nan 8.360 nan 0.000 0.452 440 D N -0.390 120.111 120.400 0.168 0.000 2.183 440 D HA -0.138 4.498 4.640 -0.007 0.000 0.203 440 D C 1.861 178.241 176.300 0.134 0.000 0.969 440 D CA 0.563 54.670 54.000 0.179 0.000 0.842 440 D CB -0.290 40.698 40.800 0.312 0.000 0.957 440 D HN 0.198 nan 8.370 nan 0.000 0.484 441 Y N 2.075 122.367 120.300 -0.013 0.000 2.114 441 Y HA -0.185 4.361 4.550 -0.007 0.000 0.284 441 Y C 2.132 178.033 175.900 0.001 0.000 1.143 441 Y CA 1.601 59.682 58.100 -0.031 0.000 1.135 441 Y CB 0.054 38.476 38.460 -0.063 0.000 0.980 441 Y HN -0.173 nan 8.280 nan 0.000 0.499 442 K N -0.348 120.221 120.400 0.282 0.000 2.057 442 K HA -0.151 4.165 4.320 -0.007 0.000 0.207 442 K C 2.306 178.980 176.600 0.124 0.000 1.049 442 K CA 1.182 57.586 56.287 0.194 0.000 0.931 442 K CB -0.404 32.177 32.500 0.136 0.000 0.714 442 K HN 0.363 nan 8.250 nan 0.000 0.440 443 A N 0.999 123.885 122.820 0.110 0.000 1.972 443 A HA -0.133 4.182 4.320 -0.007 0.000 0.219 443 A C 2.150 179.786 177.584 0.087 0.000 1.169 443 A CA 1.721 53.817 52.037 0.098 0.000 0.635 443 A CB -0.397 18.657 19.000 0.090 0.000 0.810 443 A HN 0.167 nan 8.150 nan 0.000 0.446 444 S N -0.238 115.477 115.700 0.026 0.000 2.387 444 S HA -0.000 4.466 4.470 -0.007 0.000 0.226 444 S C 1.781 176.357 174.600 -0.039 0.000 1.026 444 S CA 1.105 59.286 58.200 -0.032 0.000 0.972 444 S CB -0.346 62.760 63.200 -0.157 0.000 0.814 444 S HN 0.521 nan 8.310 nan 0.000 0.477 445 L N 1.318 122.505 121.223 -0.061 0.000 2.027 445 L HA -0.080 4.256 4.340 -0.007 0.000 0.206 445 L C 2.556 179.460 176.870 0.057 0.000 1.074 445 L CA 1.245 56.051 54.840 -0.057 0.000 0.745 445 L CB -0.433 41.648 42.059 0.036 0.000 0.898 445 L HN 0.260 nan 8.230 nan 0.000 0.433 446 K N -0.506 119.952 120.400 0.097 0.000 2.103 446 K HA -0.265 4.051 4.320 -0.007 0.000 0.207 446 K C 2.267 178.955 176.600 0.147 0.000 1.048 446 K CA 1.632 57.986 56.287 0.112 0.000 0.930 446 K CB -0.231 32.338 32.500 0.116 0.000 0.716 446 K HN 0.130 nan 8.250 nan 0.000 0.444 447 Y N 1.155 121.501 120.300 0.076 0.000 2.200 447 Y HA -0.139 4.406 4.550 -0.007 0.000 0.290 447 Y C 1.775 177.794 175.900 0.198 0.000 1.137 447 Y CA 1.446 59.635 58.100 0.148 0.000 1.163 447 Y CB -0.031 38.461 38.460 0.054 0.000 0.988 447 Y HN -0.002 nan 8.280 nan 0.000 0.518 448 L N -1.262 120.082 121.223 0.203 0.000 2.083 448 L HA -0.234 4.101 4.340 -0.007 0.000 0.209 448 L C 2.763 179.701 176.870 0.112 0.000 1.083 448 L CA 1.635 56.562 54.840 0.145 0.000 0.752 448 L CB -0.726 41.376 42.059 0.071 0.000 0.899 448 L HN 0.188 nan 8.230 nan 0.000 0.433 449 S N -0.357 115.398 115.700 0.092 0.000 2.368 449 S HA -0.181 4.285 4.470 -0.007 0.000 0.224 449 S C 1.555 176.137 174.600 -0.031 0.000 1.029 449 S CA 1.469 59.705 58.200 0.059 0.000 0.988 449 S CB -0.159 63.080 63.200 0.064 0.000 0.838 449 S HN 0.395 nan 8.310 nan 0.000 0.462 450 D N 0.218 120.562 120.400 -0.095 0.000 2.269 450 D HA 0.029 4.665 4.640 -0.007 0.000 0.208 450 D C -0.055 175.875 176.300 -0.617 0.000 0.963 450 D CA 0.931 54.737 54.000 -0.324 0.000 0.864 450 D CB -0.126 40.451 40.800 -0.372 0.000 0.936 450 D HN 0.570 nan 8.370 nan 0.000 0.505 451 H N -1.613 117.322 119.070 -0.225 0.000 2.380 451 H HA 0.249 4.801 4.556 -0.007 0.000 0.231 451 H C -1.860 173.429 175.328 -0.064 0.000 1.415 451 H CA -1.464 54.475 56.048 -0.182 0.000 1.433 451 H CB 1.230 30.805 29.762 -0.311 0.000 1.544 451 H HN -0.099 nan 8.280 nan 0.000 0.503 452 P HA -0.208 nan 4.420 nan 0.000 0.218 452 P C 0.995 178.333 177.300 0.064 0.000 1.146 452 P CA 1.353 64.482 63.100 0.049 0.000 0.820 452 P CB 0.319 32.029 31.700 0.017 0.000 0.778 453 K N -0.941 119.496 120.400 0.062 0.000 2.442 453 K HA -0.057 4.259 4.320 -0.007 0.000 0.198 453 K C 1.754 178.398 176.600 0.074 0.000 1.044 453 K CA 0.663 56.987 56.287 0.061 0.000 0.948 453 K CB -0.462 32.072 32.500 0.056 0.000 0.762 453 K HN 0.251 nan 8.250 nan 0.000 0.472 454 L N 0.708 121.989 121.223 0.098 0.000 2.179 454 L HA -0.087 4.249 4.340 -0.007 0.000 0.208 454 L C 1.354 178.288 176.870 0.106 0.000 1.096 454 L CA 0.322 55.226 54.840 0.106 0.000 0.779 454 L CB -0.170 41.970 42.059 0.135 0.000 0.922 454 L HN 0.293 nan 8.230 nan 0.000 0.443 455 Q N 0.397 120.266 119.800 0.114 0.000 2.269 455 Q HA 0.060 4.396 4.340 -0.007 0.000 0.300 455 Q C 1.053 177.105 176.000 0.088 0.000 1.070 455 Q CA 0.987 56.861 55.803 0.119 0.000 0.957 455 Q CB 0.355 29.156 28.738 0.105 0.000 1.131 455 Q HN 0.400 nan 8.270 nan 0.000 0.377 456 G N 3.707 112.566 108.800 0.098 0.000 2.199 456 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.254 456 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.254 456 G C 0.596 175.524 174.900 0.047 0.000 0.982 456 G CA 0.344 45.487 45.100 0.072 0.000 0.632 456 G HN 0.697 nan 8.290 nan 0.000 0.529 457 I N 1.491 122.091 120.570 0.050 0.000 2.233 457 I HA 0.154 4.320 4.170 -0.007 0.000 0.243 457 I C 2.141 178.255 176.117 -0.004 0.000 1.093 457 I CA 1.013 62.327 61.300 0.024 0.000 1.380 457 I CB -0.394 37.627 38.000 0.035 0.000 1.067 457 I HN 0.404 nan 8.210 nan 0.000 0.413 458 A N 1.735 124.566 122.820 0.018 0.000 2.491 458 A HA 0.125 4.441 4.320 -0.007 0.000 0.261 458 A C 0.691 178.145 177.584 -0.217 0.000 1.101 458 A CA -0.025 51.998 52.037 -0.023 0.000 0.772 458 A CB -0.099 18.953 19.000 0.088 0.000 1.043 458 A HN 0.578 nan 8.150 nan 0.000 0.501 459 Q N 1.079 120.669 119.800 -0.349 0.000 2.073 459 Q HA 0.205 4.541 4.340 -0.007 0.000 0.215 459 Q C 0.019 175.656 176.000 -0.604 0.000 0.776 459 Q CA -0.340 55.090 55.803 -0.623 0.000 1.008 459 Q CB 0.191 28.750 28.738 -0.298 0.000 1.196 459 Q HN 0.658 nan 8.270 nan 0.000 0.458 460 Q N 1.893 121.475 119.800 -0.363 0.000 2.256 460 Q HA 0.283 4.619 4.340 -0.007 0.000 0.257 460 Q C -0.946 175.096 176.000 0.069 0.000 0.936 460 Q CA -0.278 55.450 55.803 -0.124 0.000 0.903 460 Q CB 1.035 29.756 28.738 -0.029 0.000 1.263 460 Q HN 0.095 nan 8.270 nan 0.000 0.440 461 N N 1.837 120.644 118.700 0.178 0.000 2.520 461 N HA 0.194 4.930 4.740 -0.007 0.000 0.273 461 N C -0.656 174.999 175.510 0.243 0.000 1.155 461 N CA -0.010 53.242 53.050 0.337 0.000 0.967 461 N CB 1.144 39.809 38.487 0.297 0.000 1.092 461 N HN 0.536 nan 8.380 nan 0.000 0.457 462 S N 0.799 116.666 115.700 0.278 0.000 2.655 462 S HA 0.249 4.715 4.470 -0.007 0.000 0.265 462 S C 0.053 174.775 174.600 0.203 0.000 1.240 462 S CA -0.613 57.725 58.200 0.231 0.000 0.986 462 S CB 0.445 63.786 63.200 0.235 0.000 0.985 462 S HN 0.451 nan 8.310 nan 0.000 0.562 463 F N 2.673 122.661 119.950 0.064 0.000 2.578 463 F HA 0.187 4.710 4.527 -0.007 0.000 0.376 463 F C 1.208 177.017 175.800 0.014 0.000 1.085 463 F CA -0.155 57.859 58.000 0.023 0.000 1.260 463 F CB 0.302 39.322 39.000 0.033 0.000 1.095 463 F HN 0.557 nan 8.300 nan 0.000 0.573 464 K N 3.639 123.599 120.400 -0.734 0.000 2.506 464 K HA 0.131 4.447 4.320 -0.007 0.000 0.204 464 K C 0.066 176.226 176.600 -0.733 0.000 1.045 464 K CA 0.026 55.904 56.287 -0.681 0.000 1.074 464 K CB -0.220 31.688 32.500 -0.987 0.000 0.842 464 K HN 0.808 nan 8.250 nan 0.000 0.514 465 H N -0.003 118.162 119.070 -1.507 0.000 3.109 465 H HA -0.179 4.373 4.556 -0.007 0.000 0.245 465 H C -1.026 173.951 175.328 -0.584 0.000 1.187 465 H CA 1.473 56.942 56.048 -0.966 0.000 1.136 465 H CB -1.364 28.088 29.762 -0.517 0.000 1.243 465 H HN 0.564 nan 8.280 nan 0.000 0.328 466 T N 0.000 114.142 114.554 -0.686 0.000 3.816 466 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 466 T CA 0.000 61.797 62.100 -0.505 0.000 1.349 466 T CB 0.000 68.496 68.868 -0.620 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658